USER MOD reduce.3.24.130724 H: found=0, std=0, add=1720, rem=0, adj=78 USER MOD reduce.3.24.130724 removed 1724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 1 MET CE :methyl -175:sc= 0 (180deg=-0.00878) USER MOD Set 1.2: D 2 LYS NZ :NH3+ -139:sc= -0.173 (180deg=-0.797) USER MOD Set 2.1: B 75 TYR OH : rot 12:sc= -2.27! USER MOD Set 2.2: B 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 53 THR OG1 : rot -120:sc= -0.661 USER MOD Set 3.2: B 55 HIS : no HE2:sc= -3.37! C(o=-4!,f=-5.5!) USER MOD Set 4.1: B 24 CYS SG : rot 125:sc= -0.286 USER MOD Set 4.2: B 41 HIS : no HE2:sc= -5.47! C(o=-5.8!,f=-10!) USER MOD Set 5.1: B 27 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Set 5.2: B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 67 THR OG1 : rot -100:sc= 0.676 USER MOD Set 6.2: B 43 LYS NZ :NH3+ -157:sc= 1.45 (180deg=0.152) USER MOD Set 7.1: A 43 LYS NZ :NH3+ -169:sc= 1.28 (180deg=0.912) USER MOD Set 7.2: A 53 THR OG1 : rot -108:sc= -0.72 USER MOD Set 7.3: B 67 THR OG1 : rot 133:sc= 0.162 USER MOD Set 8.1: A 36 LYS NZ :NH3+ -118:sc= 0.631 (180deg=-0.312) USER MOD Set 8.2: B 65 TYR OH : rot 180:sc= 0.332 USER MOD Set 9.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 17 MET CE :methyl -126:sc= 0 (180deg=-0.425) USER MOD Set10.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.2: C 18 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0286 (180deg=-0.365) USER MOD Single : A 2 CYS SG : rot -51:sc= -0.377 USER MOD Single : A 5 LYS NZ :NH3+ -171:sc=-0.00139 (180deg=-0.126) USER MOD Single : A 10 ASN : amide:sc= -0.565 X(o=-0.57,f=-1) USER MOD Single : A 13 MET CE :methyl 179:sc= -3.98! (180deg=-3.99!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.28 F(o=-2.8!,f=-1.3) USER MOD Single : A 19 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.9!) USER MOD Single : A 21 SER OG : rot -51:sc= 0.718 USER MOD Single : A 24 CYS SG : rot 160:sc= -2.14 USER MOD Single : A 26 THR OG1 : rot 90:sc= 1.11 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0431 (180deg=-0.259) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -4.42! C(o=-5.5!,f=-4.4!) USER MOD Single : A 41 HIS : no HE2:sc= -8.23! C(o=-8.2!,f=-11!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -2.61! (180deg=-5.07!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.4) USER MOD Single : A 55 HIS : no HD1:sc= -2.05 X(o=-2,f=-2.1!) USER MOD Single : A 56 CYS SG : rot 42:sc= -0.384 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.3 F(o=-1.9,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -3.26 K(o=-3.3,f=-5.3!) USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.245 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0435 (180deg=-0.296) USER MOD Single : A 72 HIS : no HE2:sc= -4.51! C(o=-4.5!,f=-13!) USER MOD Single : A 75 TYR OH : rot -130:sc= -4.18! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -3.02! (180deg=-4.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 160:sc= -0.145 (180deg=-0.777) USER MOD Single : B 1 MET N :NH3+ 178:sc= 0 (180deg=-0.00431) USER MOD Single : B 2 CYS SG : rot -78:sc= 1.17 USER MOD Single : B 5 LYS NZ :NH3+ 139:sc= -0.0322 (180deg=-0.939) USER MOD Single : B 9 LYS NZ :NH3+ 168:sc= -0.0124 (180deg=-0.209) USER MOD Single : B 10 ASN :FLIP amide:sc= -0.189 F(o=-1.4,f=-0.19) USER MOD Single : B 13 MET CE :methyl -161:sc= -0.102 (180deg=-0.679) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -105:sc= -0.483 (180deg=-2.26) USER MOD Single : B 18 GLN :FLIP amide:sc= -3.57! C(o=-5.3!,f=-3.6!) USER MOD Single : B 19 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : B 21 SER OG : rot -160:sc= -1.54 USER MOD Single : B 26 THR OG1 : rot 66:sc= 0.313 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.55) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 161:sc= -0.0921 (180deg=-0.522) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -119:sc= 0.151 (180deg=-0.0105) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.69 K(o=-1.7,f=-7!) USER MOD Single : B 56 CYS SG : rot 33:sc= -1.37 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.672 F(o=-2.4,f=-0.67) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -3.04 K(o=-3,f=-5.2!) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 166:sc= -0.047 (180deg=-0.281) USER MOD Single : B 72 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-15!) USER MOD Single : B 80 GLN : amide:sc= -2.02! C(o=-2!,f=-2.6!) USER MOD Single : B 87 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0985) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -111:sc= -0.784! (180deg=-4.32!) USER MOD Single : C 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 4 THR OG1 : rot 115:sc= 0.595 USER MOD Single : C 7 GLN : amide:sc= -2.96 K(o=-3,f=-13!) USER MOD Single : C 15 LYS NZ :NH3+ -159:sc= -2.31! (180deg=-3.44!) USER MOD Single : C 16 SER OG : rot 180:sc= 0 USER MOD Single : C 17 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.3) USER MOD Single : D 1 MET N :NH3+ -167:sc= 0.848 (180deg=-0.278) USER MOD Single : D 4 THR OG1 : rot -172:sc= 0.684 USER MOD Single : D 7 GLN : amide:sc= -1.28 K(o=-1.3,f=-6!) USER MOD Single : D 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 16 SER OG : rot 180:sc= 0 USER MOD Single : D 17 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-4!) USER MOD Single : D 18 LYS NZ :NH3+ -125:sc= -2 (180deg=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.261 -3.028 -24.858 1.00 0.00 N ATOM 2 CA MET A 1 -17.827 -2.684 -23.478 1.00 0.00 C ATOM 3 C MET A 1 -18.840 -1.773 -22.793 1.00 0.00 C ATOM 4 O MET A 1 -19.323 -0.808 -23.387 1.00 0.00 O ATOM 5 CB MET A 1 -16.464 -1.996 -23.552 1.00 0.00 C ATOM 6 CG MET A 1 -15.378 -2.860 -24.175 1.00 0.00 C ATOM 7 SD MET A 1 -15.097 -4.389 -23.262 1.00 0.00 S ATOM 8 CE MET A 1 -13.794 -5.132 -24.240 1.00 0.00 C ATOM 0 H1 MET A 1 -17.703 -3.834 -25.207 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.270 -3.282 -24.852 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.114 -2.209 -25.482 1.00 0.00 H new ATOM 0 HA MET A 1 -17.755 -3.598 -22.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.561 -1.077 -24.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.156 -1.709 -22.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.655 -3.100 -25.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.449 -2.292 -24.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.510 -6.088 -23.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.149 -5.291 -25.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.929 -4.469 -24.257 1.00 0.00 H new ATOM 20 N CYS A 2 -19.154 -2.083 -21.539 1.00 0.00 N ATOM 21 CA CYS A 2 -20.109 -1.292 -20.771 1.00 0.00 C ATOM 22 C CYS A 2 -20.229 -1.830 -19.347 1.00 0.00 C ATOM 23 O CYS A 2 -21.329 -1.955 -18.808 1.00 0.00 O ATOM 24 CB CYS A 2 -21.477 -1.299 -21.457 1.00 0.00 C ATOM 25 SG CYS A 2 -22.711 -0.240 -20.665 1.00 0.00 S ATOM 0 H CYS A 2 -18.761 -2.877 -21.033 1.00 0.00 H new ATOM 0 HA CYS A 2 -19.746 -0.265 -20.723 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -21.353 -0.981 -22.492 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -21.854 -2.322 -21.480 1.00 0.00 H new ATOM 0 HG CYS A 2 -22.757 -0.503 -19.393 1.00 0.00 H new ATOM 31 N ASP A 3 -19.087 -2.146 -18.745 1.00 0.00 N ATOM 32 CA ASP A 3 -19.056 -2.671 -17.384 1.00 0.00 C ATOM 33 C ASP A 3 -17.622 -2.951 -16.944 1.00 0.00 C ATOM 34 O ASP A 3 -16.839 -3.541 -17.687 1.00 0.00 O ATOM 35 CB ASP A 3 -19.893 -3.949 -17.283 1.00 0.00 C ATOM 36 CG ASP A 3 -19.442 -5.021 -18.257 1.00 0.00 C ATOM 37 OD1 ASP A 3 -18.499 -4.761 -19.034 1.00 0.00 O ATOM 38 OD2 ASP A 3 -20.037 -6.119 -18.247 1.00 0.00 O ATOM 0 H ASP A 3 -18.169 -2.048 -19.179 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.482 -1.917 -16.722 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -19.833 -4.338 -16.267 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.939 -3.709 -17.471 1.00 0.00 H new ATOM 43 N ARG A 4 -17.283 -2.517 -15.733 1.00 0.00 N ATOM 44 CA ARG A 4 -15.938 -2.718 -15.202 1.00 0.00 C ATOM 45 C ARG A 4 -15.573 -4.199 -15.185 1.00 0.00 C ATOM 46 O ARG A 4 -16.307 -5.025 -14.640 1.00 0.00 O ATOM 47 CB ARG A 4 -15.823 -2.134 -13.787 1.00 0.00 C ATOM 48 CG ARG A 4 -16.565 -2.927 -12.717 1.00 0.00 C ATOM 49 CD ARG A 4 -18.060 -2.992 -12.987 1.00 0.00 C ATOM 50 NE ARG A 4 -18.785 -3.663 -11.910 1.00 0.00 N ATOM 51 CZ ARG A 4 -18.891 -3.180 -10.674 1.00 0.00 C ATOM 52 NH1 ARG A 4 -18.366 -2.001 -10.365 1.00 0.00 N ATOM 53 NH2 ARG A 4 -19.540 -3.872 -9.747 1.00 0.00 N ATOM 0 H ARG A 4 -17.918 -2.026 -15.103 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.240 -2.197 -15.857 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -14.769 -2.077 -13.515 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -16.205 -1.113 -13.796 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.161 -3.938 -12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -16.393 -2.470 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -18.450 -1.982 -13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -18.236 -3.519 -13.925 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.236 -4.554 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.877 -1.458 -11.077 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.451 -1.638 -9.416 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -19.957 -4.773 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -19.622 -3.503 -8.800 1.00 0.00 H new ATOM 67 N LYS A 5 -14.435 -4.530 -15.786 1.00 0.00 N ATOM 68 CA LYS A 5 -13.973 -5.915 -15.842 1.00 0.00 C ATOM 69 C LYS A 5 -13.062 -6.247 -14.662 1.00 0.00 C ATOM 70 O LYS A 5 -12.243 -7.163 -14.734 1.00 0.00 O ATOM 71 CB LYS A 5 -13.236 -6.186 -17.155 1.00 0.00 C ATOM 72 CG LYS A 5 -11.800 -5.672 -17.197 1.00 0.00 C ATOM 73 CD LYS A 5 -11.726 -4.159 -17.088 1.00 0.00 C ATOM 74 CE LYS A 5 -12.493 -3.479 -18.210 1.00 0.00 C ATOM 75 NZ LYS A 5 -11.965 -3.854 -19.551 1.00 0.00 N ATOM 0 H LYS A 5 -13.815 -3.860 -16.241 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.854 -6.555 -15.787 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.228 -7.261 -17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.795 -5.729 -17.971 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.232 -6.121 -16.382 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.329 -5.990 -18.127 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.130 -3.843 -16.126 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.683 -3.842 -17.115 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.547 -3.751 -18.146 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.434 -2.398 -18.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.409 -3.258 -20.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.935 -3.713 -19.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.182 -4.853 -19.742 1.00 0.00 H new ATOM 89 N ALA A 6 -13.210 -5.496 -13.583 1.00 0.00 N ATOM 90 CA ALA A 6 -12.398 -5.704 -12.389 1.00 0.00 C ATOM 91 C ALA A 6 -12.570 -7.118 -11.841 1.00 0.00 C ATOM 92 O ALA A 6 -13.688 -7.557 -11.573 1.00 0.00 O ATOM 93 CB ALA A 6 -12.762 -4.677 -11.328 1.00 0.00 C ATOM 0 H ALA A 6 -13.885 -4.735 -13.507 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.351 -5.579 -12.664 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.151 -4.839 -10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.581 -3.674 -11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.815 -4.780 -11.068 1.00 0.00 H new ATOM 99 N VAL A 7 -11.455 -7.831 -11.681 1.00 0.00 N ATOM 100 CA VAL A 7 -11.484 -9.188 -11.172 1.00 0.00 C ATOM 101 C VAL A 7 -11.097 -9.251 -9.700 1.00 0.00 C ATOM 102 O VAL A 7 -10.161 -8.584 -9.262 1.00 0.00 O ATOM 103 CB VAL A 7 -10.540 -10.091 -11.969 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.016 -10.232 -13.407 1.00 0.00 C ATOM 105 CG2 VAL A 7 -9.116 -9.558 -11.919 1.00 0.00 C ATOM 0 H VAL A 7 -10.521 -7.483 -11.899 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.510 -9.539 -11.281 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.547 -11.081 -11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.330 -10.878 -13.956 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.014 -10.669 -13.419 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.045 -9.250 -13.879 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.461 -10.215 -12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.088 -8.555 -12.346 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.777 -9.521 -10.884 1.00 0.00 H new ATOM 115 N ILE A 8 -11.820 -10.074 -8.949 1.00 0.00 N ATOM 116 CA ILE A 8 -11.559 -10.247 -7.523 1.00 0.00 C ATOM 117 C ILE A 8 -10.348 -11.151 -7.292 1.00 0.00 C ATOM 118 O ILE A 8 -10.115 -12.097 -8.042 1.00 0.00 O ATOM 119 CB ILE A 8 -12.788 -10.826 -6.786 1.00 0.00 C ATOM 120 CG1 ILE A 8 -13.936 -9.811 -6.781 1.00 0.00 C ATOM 121 CG2 ILE A 8 -12.430 -11.220 -5.359 1.00 0.00 C ATOM 122 CD1 ILE A 8 -14.425 -9.432 -8.163 1.00 0.00 C ATOM 0 H ILE A 8 -12.595 -10.634 -9.305 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.347 -9.258 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.111 -11.721 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.769 -10.222 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.609 -8.910 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.311 -11.625 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.644 -11.975 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.078 -10.342 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.237 -8.711 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.606 -8.990 -8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.784 -10.323 -8.679 1.00 0.00 H new ATOM 134 N LYS A 9 -9.583 -10.846 -6.247 1.00 0.00 N ATOM 135 CA LYS A 9 -8.395 -11.625 -5.914 1.00 0.00 C ATOM 136 C LYS A 9 -8.409 -12.065 -4.451 1.00 0.00 C ATOM 137 O LYS A 9 -7.995 -13.178 -4.128 1.00 0.00 O ATOM 138 CB LYS A 9 -7.133 -10.810 -6.203 1.00 0.00 C ATOM 139 CG LYS A 9 -6.961 -10.454 -7.671 1.00 0.00 C ATOM 140 CD LYS A 9 -6.873 -11.698 -8.541 1.00 0.00 C ATOM 141 CE LYS A 9 -5.688 -12.567 -8.152 1.00 0.00 C ATOM 142 NZ LYS A 9 -5.597 -13.790 -8.996 1.00 0.00 N ATOM 0 H LYS A 9 -9.765 -10.065 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.397 -12.520 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.161 -9.892 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.262 -11.374 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.800 -9.839 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.059 -9.856 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.794 -12.274 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.783 -11.406 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.768 -11.990 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.777 -12.854 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.776 -14.356 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.464 -14.353 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.487 -13.516 -9.993 1.00 0.00 H new ATOM 156 N ASN A 10 -8.884 -11.188 -3.571 1.00 0.00 N ATOM 157 CA ASN A 10 -8.945 -11.494 -2.145 1.00 0.00 C ATOM 158 C ASN A 10 -10.157 -10.832 -1.494 1.00 0.00 C ATOM 159 O ASN A 10 -10.029 -10.111 -0.504 1.00 0.00 O ATOM 160 CB ASN A 10 -7.663 -11.040 -1.445 1.00 0.00 C ATOM 161 CG ASN A 10 -6.428 -11.731 -1.991 1.00 0.00 C ATOM 162 OD1 ASN A 10 -6.336 -12.958 -1.988 1.00 0.00 O ATOM 163 ND2 ASN A 10 -5.466 -10.942 -2.455 1.00 0.00 N ATOM 0 H ASN A 10 -9.232 -10.262 -3.819 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.044 -12.574 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.553 -9.962 -1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.745 -11.241 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.608 -11.349 -2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.585 -9.929 -2.438 1.00 0.00 H new ATOM 170 N ALA A 11 -11.333 -11.084 -2.062 1.00 0.00 N ATOM 171 CA ALA A 11 -12.573 -10.517 -1.543 1.00 0.00 C ATOM 172 C ALA A 11 -12.769 -10.858 -0.069 1.00 0.00 C ATOM 173 O ALA A 11 -12.449 -11.961 0.373 1.00 0.00 O ATOM 174 CB ALA A 11 -13.758 -11.008 -2.361 1.00 0.00 C ATOM 0 H ALA A 11 -11.453 -11.678 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.506 -9.432 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.677 -10.578 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.634 -10.703 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.813 -12.095 -2.306 1.00 0.00 H new ATOM 180 N ASP A 12 -13.296 -9.900 0.685 1.00 0.00 N ATOM 181 CA ASP A 12 -13.540 -10.087 2.111 1.00 0.00 C ATOM 182 C ASP A 12 -14.356 -8.918 2.661 1.00 0.00 C ATOM 183 O ASP A 12 -13.936 -8.229 3.589 1.00 0.00 O ATOM 184 CB ASP A 12 -12.212 -10.211 2.866 1.00 0.00 C ATOM 185 CG ASP A 12 -12.398 -10.640 4.311 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.069 -9.908 5.069 1.00 0.00 O ATOM 187 OD2 ASP A 12 -11.872 -11.709 4.682 1.00 0.00 O ATOM 0 H ASP A 12 -13.564 -8.982 0.331 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.106 -11.008 2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.575 -10.933 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.693 -9.253 2.840 1.00 0.00 H new ATOM 192 N MET A 13 -15.519 -8.695 2.060 1.00 0.00 N ATOM 193 CA MET A 13 -16.396 -7.604 2.466 1.00 0.00 C ATOM 194 C MET A 13 -17.787 -7.786 1.862 1.00 0.00 C ATOM 195 O MET A 13 -17.962 -8.540 0.906 1.00 0.00 O ATOM 196 CB MET A 13 -15.804 -6.263 2.027 1.00 0.00 C ATOM 197 CG MET A 13 -16.629 -5.059 2.452 1.00 0.00 C ATOM 198 SD MET A 13 -15.919 -3.497 1.890 1.00 0.00 S ATOM 199 CE MET A 13 -14.322 -3.538 2.697 1.00 0.00 C ATOM 0 H MET A 13 -15.877 -9.257 1.288 1.00 0.00 H new ATOM 0 HA MET A 13 -16.484 -7.614 3.552 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.800 -6.167 2.440 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.704 -6.258 0.942 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.640 -5.158 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.712 -5.046 3.539 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.757 -2.645 2.431 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.461 -3.571 3.778 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.774 -4.423 2.375 1.00 0.00 H new ATOM 209 N SER A 14 -18.774 -7.096 2.427 1.00 0.00 N ATOM 210 CA SER A 14 -20.149 -7.191 1.940 1.00 0.00 C ATOM 211 C SER A 14 -20.205 -7.001 0.427 1.00 0.00 C ATOM 212 O SER A 14 -19.549 -6.117 -0.123 1.00 0.00 O ATOM 213 CB SER A 14 -21.028 -6.146 2.631 1.00 0.00 C ATOM 214 OG SER A 14 -21.044 -6.338 4.034 1.00 0.00 O ATOM 0 H SER A 14 -18.649 -6.467 3.220 1.00 0.00 H new ATOM 0 HA SER A 14 -20.525 -8.186 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 -20.658 -5.147 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 -22.044 -6.206 2.241 1.00 0.00 H new ATOM 0 HG SER A 14 -21.611 -5.656 4.451 1.00 0.00 H new ATOM 220 N GLU A 15 -20.989 -7.842 -0.240 1.00 0.00 N ATOM 221 CA GLU A 15 -21.127 -7.779 -1.693 1.00 0.00 C ATOM 222 C GLU A 15 -21.445 -6.365 -2.163 1.00 0.00 C ATOM 223 O GLU A 15 -20.868 -5.879 -3.136 1.00 0.00 O ATOM 224 CB GLU A 15 -22.222 -8.742 -2.162 1.00 0.00 C ATOM 225 CG GLU A 15 -23.589 -8.443 -1.570 1.00 0.00 C ATOM 226 CD GLU A 15 -24.654 -9.414 -2.043 1.00 0.00 C ATOM 227 OE1 GLU A 15 -24.500 -10.629 -1.795 1.00 0.00 O ATOM 228 OE2 GLU A 15 -25.640 -8.961 -2.659 1.00 0.00 O ATOM 0 H GLU A 15 -21.540 -8.577 0.203 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.173 -8.074 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -22.289 -8.701 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -21.936 -9.760 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.526 -8.480 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.883 -7.428 -1.838 1.00 0.00 H new ATOM 235 N GLU A 16 -22.362 -5.709 -1.467 1.00 0.00 N ATOM 236 CA GLU A 16 -22.757 -4.350 -1.818 1.00 0.00 C ATOM 237 C GLU A 16 -21.565 -3.401 -1.758 1.00 0.00 C ATOM 238 O GLU A 16 -21.351 -2.605 -2.672 1.00 0.00 O ATOM 239 CB GLU A 16 -23.867 -3.859 -0.887 1.00 0.00 C ATOM 240 CG GLU A 16 -23.473 -3.844 0.581 1.00 0.00 C ATOM 241 CD GLU A 16 -24.595 -3.370 1.485 1.00 0.00 C ATOM 242 OE1 GLU A 16 -25.684 -3.053 0.963 1.00 0.00 O ATOM 243 OE2 GLU A 16 -24.384 -3.318 2.715 1.00 0.00 O ATOM 0 H GLU A 16 -22.847 -6.094 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 16 -23.133 -4.363 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -24.160 -2.852 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.742 -4.496 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.169 -4.847 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.607 -3.196 0.714 1.00 0.00 H new ATOM 250 N MET A 17 -20.788 -3.490 -0.684 1.00 0.00 N ATOM 251 CA MET A 17 -19.620 -2.634 -0.521 1.00 0.00 C ATOM 252 C MET A 17 -18.645 -2.828 -1.676 1.00 0.00 C ATOM 253 O MET A 17 -18.129 -1.861 -2.236 1.00 0.00 O ATOM 254 CB MET A 17 -18.923 -2.919 0.808 1.00 0.00 C ATOM 255 CG MET A 17 -19.789 -2.632 2.022 1.00 0.00 C ATOM 256 SD MET A 17 -18.945 -2.983 3.576 1.00 0.00 S ATOM 257 CE MET A 17 -20.201 -2.507 4.760 1.00 0.00 C ATOM 0 H MET A 17 -20.945 -4.143 0.083 1.00 0.00 H new ATOM 0 HA MET A 17 -19.959 -1.598 -0.521 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.615 -3.964 0.831 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.016 -2.318 0.869 1.00 0.00 H new ATOM 0 HG2 MET A 17 -20.094 -1.586 2.007 1.00 0.00 H new ATOM 0 HG3 MET A 17 -20.699 -3.230 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 17 -19.783 -1.787 5.464 1.00 0.00 H new ATOM 0 HE2 MET A 17 -21.043 -2.055 4.235 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.542 -3.389 5.303 1.00 0.00 H new ATOM 267 N GLN A 18 -18.402 -4.084 -2.032 1.00 0.00 N ATOM 268 CA GLN A 18 -17.494 -4.404 -3.129 1.00 0.00 C ATOM 269 C GLN A 18 -17.915 -3.695 -4.408 1.00 0.00 C ATOM 270 O GLN A 18 -17.082 -3.152 -5.134 1.00 0.00 O ATOM 271 CB GLN A 18 -17.464 -5.913 -3.364 1.00 0.00 C ATOM 272 CG GLN A 18 -17.075 -6.707 -2.134 1.00 0.00 C ATOM 273 CD GLN A 18 -17.172 -8.201 -2.356 1.00 0.00 C ATOM 274 OE1 GLN A 18 -18.059 -8.847 -1.613 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -16.466 -8.766 -3.190 1.00 0.00 N flip ATOM 0 H GLN A 18 -18.820 -4.897 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.497 -4.061 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.447 -6.240 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.761 -6.134 -4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.055 -6.451 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.721 -6.423 -1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.796 -8.228 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.550 -9.773 -3.332 1.00 0.00 H new ATOM 284 N GLN A 19 -19.213 -3.709 -4.680 1.00 0.00 N ATOM 285 CA GLN A 19 -19.748 -3.070 -5.879 1.00 0.00 C ATOM 286 C GLN A 19 -19.484 -1.571 -5.867 1.00 0.00 C ATOM 287 O GLN A 19 -19.090 -0.995 -6.880 1.00 0.00 O ATOM 288 CB GLN A 19 -21.249 -3.338 -6.006 1.00 0.00 C ATOM 289 CG GLN A 19 -21.597 -4.814 -6.130 1.00 0.00 C ATOM 290 CD GLN A 19 -20.989 -5.458 -7.360 1.00 0.00 C ATOM 291 OE1 GLN A 19 -19.766 -5.501 -7.513 1.00 0.00 O ATOM 292 NE2 GLN A 19 -21.839 -5.963 -8.246 1.00 0.00 N ATOM 0 H GLN A 19 -19.915 -4.154 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 19 -19.238 -3.500 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -21.758 -2.925 -5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.631 -2.809 -6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -21.251 -5.341 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -22.681 -4.926 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -22.844 -5.906 -8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -21.487 -6.409 -9.094 1.00 0.00 H new ATOM 301 N ASP A 20 -19.699 -0.943 -4.719 1.00 0.00 N ATOM 302 CA ASP A 20 -19.477 0.492 -4.585 1.00 0.00 C ATOM 303 C ASP A 20 -17.998 0.820 -4.727 1.00 0.00 C ATOM 304 O ASP A 20 -17.633 1.826 -5.334 1.00 0.00 O ATOM 305 CB ASP A 20 -20.005 0.999 -3.241 1.00 0.00 C ATOM 306 CG ASP A 20 -21.508 0.848 -3.116 1.00 0.00 C ATOM 307 OD1 ASP A 20 -22.002 -0.294 -3.211 1.00 0.00 O ATOM 308 OD2 ASP A 20 -22.192 1.875 -2.923 1.00 0.00 O ATOM 0 H ASP A 20 -20.026 -1.402 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 20 -20.023 0.995 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.519 0.452 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.737 2.049 -3.121 1.00 0.00 H new ATOM 313 N SER A 21 -17.151 -0.035 -4.173 1.00 0.00 N ATOM 314 CA SER A 21 -15.713 0.169 -4.254 1.00 0.00 C ATOM 315 C SER A 21 -15.232 -0.021 -5.686 1.00 0.00 C ATOM 316 O SER A 21 -14.463 0.788 -6.204 1.00 0.00 O ATOM 317 CB SER A 21 -14.979 -0.795 -3.318 1.00 0.00 C ATOM 318 OG SER A 21 -15.375 -0.599 -1.971 1.00 0.00 O ATOM 0 H SER A 21 -17.433 -0.873 -3.665 1.00 0.00 H new ATOM 0 HA SER A 21 -15.493 1.190 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.186 -1.823 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.903 -0.647 -3.409 1.00 0.00 H new ATOM 0 HG SER A 21 -15.297 0.351 -1.742 1.00 0.00 H new ATOM 324 N VAL A 22 -15.701 -1.087 -6.325 1.00 0.00 N ATOM 325 CA VAL A 22 -15.328 -1.369 -7.703 1.00 0.00 C ATOM 326 C VAL A 22 -15.907 -0.314 -8.635 1.00 0.00 C ATOM 327 O VAL A 22 -15.241 0.147 -9.563 1.00 0.00 O ATOM 328 CB VAL A 22 -15.816 -2.762 -8.146 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.352 -3.075 -9.561 1.00 0.00 C ATOM 330 CG2 VAL A 22 -15.338 -3.831 -7.171 1.00 0.00 C ATOM 0 H VAL A 22 -16.338 -1.767 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.240 -1.350 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.906 -2.758 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.709 -4.063 -9.851 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.751 -2.329 -10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.263 -3.057 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.692 -4.808 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.249 -3.832 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.731 -3.619 -6.177 1.00 0.00 H new ATOM 340 N GLU A 23 -17.149 0.072 -8.370 1.00 0.00 N ATOM 341 CA GLU A 23 -17.824 1.078 -9.166 1.00 0.00 C ATOM 342 C GLU A 23 -17.173 2.440 -8.963 1.00 0.00 C ATOM 343 O GLU A 23 -16.950 3.184 -9.917 1.00 0.00 O ATOM 344 CB GLU A 23 -19.302 1.135 -8.785 1.00 0.00 C ATOM 345 CG GLU A 23 -20.079 2.211 -9.518 1.00 0.00 C ATOM 346 CD GLU A 23 -20.072 2.019 -11.022 1.00 0.00 C ATOM 347 OE1 GLU A 23 -18.972 2.021 -11.615 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.165 1.867 -11.606 1.00 0.00 O ATOM 0 H GLU A 23 -17.709 -0.302 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.740 0.810 -10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.758 0.167 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.385 1.306 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.109 2.216 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.655 3.186 -9.279 1.00 0.00 H new ATOM 355 N CYS A 24 -16.865 2.753 -7.710 1.00 0.00 N ATOM 356 CA CYS A 24 -16.232 4.023 -7.377 1.00 0.00 C ATOM 357 C CYS A 24 -14.844 4.111 -8.004 1.00 0.00 C ATOM 358 O CYS A 24 -14.436 5.165 -8.499 1.00 0.00 O ATOM 359 CB CYS A 24 -16.137 4.192 -5.859 1.00 0.00 C ATOM 360 SG CYS A 24 -15.503 5.801 -5.334 1.00 0.00 S ATOM 0 H CYS A 24 -17.043 2.146 -6.910 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.847 4.827 -7.780 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.126 4.044 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.492 3.411 -5.457 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.846 6.021 -4.099 1.00 0.00 H new ATOM 366 N ALA A 25 -14.128 2.990 -7.999 1.00 0.00 N ATOM 367 CA ALA A 25 -12.799 2.935 -8.580 1.00 0.00 C ATOM 368 C ALA A 25 -12.895 3.105 -10.084 1.00 0.00 C ATOM 369 O ALA A 25 -12.037 3.725 -10.712 1.00 0.00 O ATOM 370 CB ALA A 25 -12.117 1.621 -8.230 1.00 0.00 C ATOM 0 H ALA A 25 -14.450 2.109 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.197 3.745 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.122 1.598 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.033 1.532 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.707 0.790 -8.618 1.00 0.00 H new ATOM 376 N THR A 26 -13.958 2.548 -10.651 1.00 0.00 N ATOM 377 CA THR A 26 -14.189 2.633 -12.081 1.00 0.00 C ATOM 378 C THR A 26 -14.320 4.088 -12.512 1.00 0.00 C ATOM 379 O THR A 26 -13.732 4.510 -13.506 1.00 0.00 O ATOM 380 CB THR A 26 -15.451 1.860 -12.461 1.00 0.00 C ATOM 381 OG1 THR A 26 -15.341 0.500 -12.077 1.00 0.00 O ATOM 382 CG2 THR A 26 -15.754 1.895 -13.944 1.00 0.00 C ATOM 0 H THR A 26 -14.673 2.032 -10.138 1.00 0.00 H new ATOM 0 HA THR A 26 -13.336 2.190 -12.595 1.00 0.00 H new ATOM 0 HB THR A 26 -16.263 2.357 -11.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.681 0.389 -11.165 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.663 1.327 -14.143 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.895 2.928 -14.262 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.923 1.456 -14.496 1.00 0.00 H new ATOM 390 N GLN A 27 -15.094 4.848 -11.747 1.00 0.00 N ATOM 391 CA GLN A 27 -15.305 6.260 -12.034 1.00 0.00 C ATOM 392 C GLN A 27 -13.981 7.009 -12.013 1.00 0.00 C ATOM 393 O GLN A 27 -13.684 7.795 -12.912 1.00 0.00 O ATOM 394 CB GLN A 27 -16.263 6.875 -11.013 1.00 0.00 C ATOM 395 CG GLN A 27 -17.637 6.222 -10.996 1.00 0.00 C ATOM 396 CD GLN A 27 -18.563 6.844 -9.970 1.00 0.00 C ATOM 397 OE1 GLN A 27 -18.274 6.841 -8.773 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.686 7.382 -10.434 1.00 0.00 N ATOM 0 H GLN A 27 -15.587 4.508 -10.921 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.745 6.345 -13.028 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.821 6.797 -10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.378 7.937 -11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.088 6.305 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.528 5.158 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.886 7.362 -11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.348 7.815 -9.790 1.00 0.00 H new ATOM 407 N ALA A 28 -13.184 6.756 -10.982 1.00 0.00 N ATOM 408 CA ALA A 28 -11.887 7.405 -10.847 1.00 0.00 C ATOM 409 C ALA A 28 -11.017 7.149 -12.073 1.00 0.00 C ATOM 410 O ALA A 28 -10.271 8.026 -12.507 1.00 0.00 O ATOM 411 CB ALA A 28 -11.185 6.927 -9.587 1.00 0.00 C ATOM 0 H ALA A 28 -13.413 6.107 -10.229 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.052 8.480 -10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.217 7.421 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.795 7.169 -8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.038 5.848 -9.639 1.00 0.00 H new ATOM 417 N LEU A 29 -11.114 5.945 -12.625 1.00 0.00 N ATOM 418 CA LEU A 29 -10.334 5.581 -13.801 1.00 0.00 C ATOM 419 C LEU A 29 -10.755 6.392 -15.020 1.00 0.00 C ATOM 420 O LEU A 29 -9.922 6.961 -15.721 1.00 0.00 O ATOM 421 CB LEU A 29 -10.473 4.091 -14.091 1.00 0.00 C ATOM 422 CG LEU A 29 -9.725 3.187 -13.119 1.00 0.00 C ATOM 423 CD1 LEU A 29 -10.180 1.745 -13.265 1.00 0.00 C ATOM 424 CD2 LEU A 29 -8.226 3.297 -13.345 1.00 0.00 C ATOM 0 H LEU A 29 -11.724 5.205 -12.277 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.289 5.807 -13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.530 3.827 -14.073 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.113 3.895 -15.101 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.950 3.513 -12.104 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.633 1.118 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.248 1.678 -13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.987 1.404 -14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.704 2.646 -12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.989 2.996 -14.365 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.909 4.328 -13.188 1.00 0.00 H new ATOM 436 N GLU A 30 -12.053 6.436 -15.267 1.00 0.00 N ATOM 437 CA GLU A 30 -12.591 7.175 -16.401 1.00 0.00 C ATOM 438 C GLU A 30 -12.501 8.679 -16.168 1.00 0.00 C ATOM 439 O GLU A 30 -12.337 9.457 -17.109 1.00 0.00 O ATOM 440 CB GLU A 30 -14.044 6.773 -16.656 1.00 0.00 C ATOM 441 CG GLU A 30 -14.222 5.297 -16.970 1.00 0.00 C ATOM 442 CD GLU A 30 -15.669 4.923 -17.219 1.00 0.00 C ATOM 443 OE1 GLU A 30 -16.274 5.483 -18.158 1.00 0.00 O ATOM 444 OE2 GLU A 30 -16.199 4.070 -16.476 1.00 0.00 O ATOM 0 H GLU A 30 -12.757 5.968 -14.697 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.993 6.927 -17.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.641 7.024 -15.779 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.435 7.362 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.629 5.042 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.835 4.704 -16.141 1.00 0.00 H new ATOM 451 N LYS A 31 -12.627 9.084 -14.909 1.00 0.00 N ATOM 452 CA LYS A 31 -12.579 10.493 -14.545 1.00 0.00 C ATOM 453 C LYS A 31 -11.153 10.969 -14.278 1.00 0.00 C ATOM 454 O LYS A 31 -10.900 12.173 -14.237 1.00 0.00 O ATOM 455 CB LYS A 31 -13.443 10.745 -13.309 1.00 0.00 C ATOM 456 CG LYS A 31 -14.909 10.397 -13.508 1.00 0.00 C ATOM 457 CD LYS A 31 -15.718 10.648 -12.245 1.00 0.00 C ATOM 458 CE LYS A 31 -17.184 10.300 -12.443 1.00 0.00 C ATOM 459 NZ LYS A 31 -17.806 11.108 -13.526 1.00 0.00 N ATOM 0 H LYS A 31 -12.764 8.452 -14.120 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.967 11.060 -15.391 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.050 10.162 -12.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.363 11.795 -13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.317 10.990 -14.326 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.999 9.350 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.310 10.055 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.628 11.695 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.276 9.241 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.725 10.465 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.841 11.019 -13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.538 12.106 -13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.474 10.764 -14.450 1.00 0.00 H new ATOM 473 N TYR A 32 -10.227 10.036 -14.064 1.00 0.00 N ATOM 474 CA TYR A 32 -8.851 10.419 -13.767 1.00 0.00 C ATOM 475 C TYR A 32 -7.829 9.450 -14.365 1.00 0.00 C ATOM 476 O TYR A 32 -6.759 9.871 -14.796 1.00 0.00 O ATOM 477 CB TYR A 32 -8.665 10.507 -12.254 1.00 0.00 C ATOM 478 CG TYR A 32 -9.699 11.381 -11.582 1.00 0.00 C ATOM 479 CD1 TYR A 32 -9.744 12.749 -11.820 1.00 0.00 C ATOM 480 CD2 TYR A 32 -10.641 10.836 -10.721 1.00 0.00 C ATOM 481 CE1 TYR A 32 -10.695 13.547 -11.217 1.00 0.00 C ATOM 482 CE2 TYR A 32 -11.596 11.627 -10.113 1.00 0.00 C ATOM 483 CZ TYR A 32 -11.620 12.982 -10.364 1.00 0.00 C ATOM 484 OH TYR A 32 -12.571 13.774 -9.762 1.00 0.00 O ATOM 0 H TYR A 32 -10.400 9.031 -14.090 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.673 11.391 -14.227 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.713 9.505 -11.829 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.671 10.898 -12.038 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.023 13.196 -12.488 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.627 9.774 -10.523 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.715 14.609 -11.412 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.320 11.186 -9.444 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.146 13.220 -9.193 1.00 0.00 H new ATOM 494 N ASN A 33 -8.159 8.162 -14.370 1.00 0.00 N ATOM 495 CA ASN A 33 -7.269 7.126 -14.903 1.00 0.00 C ATOM 496 C ASN A 33 -5.891 7.180 -14.245 1.00 0.00 C ATOM 497 O ASN A 33 -4.865 7.188 -14.925 1.00 0.00 O ATOM 498 CB ASN A 33 -7.141 7.227 -16.433 1.00 0.00 C ATOM 499 CG ASN A 33 -6.545 8.538 -16.906 1.00 0.00 C ATOM 500 OD1 ASN A 33 -7.322 9.301 -17.666 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -5.400 8.865 -16.592 1.00 0.00 N flip ATOM 0 H ASN A 33 -9.043 7.805 -14.008 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.720 6.163 -14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.522 6.405 -16.793 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.127 7.103 -16.881 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.836 8.249 -16.006 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.015 9.752 -16.918 1.00 0.00 H new ATOM 508 N ILE A 34 -5.878 7.203 -12.916 1.00 0.00 N ATOM 509 CA ILE A 34 -4.630 7.241 -12.161 1.00 0.00 C ATOM 510 C ILE A 34 -4.771 6.470 -10.849 1.00 0.00 C ATOM 511 O ILE A 34 -5.695 6.709 -10.074 1.00 0.00 O ATOM 512 CB ILE A 34 -4.202 8.692 -11.857 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.984 9.463 -13.158 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.939 8.715 -11.007 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.581 10.907 -12.946 1.00 0.00 C ATOM 0 H ILE A 34 -6.719 7.196 -12.339 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.863 6.772 -12.777 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.000 9.175 -11.294 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.213 8.961 -13.743 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.901 9.433 -13.747 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.655 9.748 -10.805 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.125 8.199 -10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.131 8.215 -11.542 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.444 11.392 -13.912 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.361 11.424 -12.388 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.647 10.946 -12.385 1.00 0.00 H new ATOM 527 N GLU A 35 -3.851 5.539 -10.613 1.00 0.00 N ATOM 528 CA GLU A 35 -3.874 4.720 -9.405 1.00 0.00 C ATOM 529 C GLU A 35 -3.998 5.573 -8.144 1.00 0.00 C ATOM 530 O GLU A 35 -4.812 5.285 -7.267 1.00 0.00 O ATOM 531 CB GLU A 35 -2.615 3.855 -9.329 1.00 0.00 C ATOM 532 CG GLU A 35 -1.324 4.659 -9.313 1.00 0.00 C ATOM 533 CD GLU A 35 -0.089 3.778 -9.291 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.086 2.979 -10.234 1.00 0.00 O ATOM 535 OE2 GLU A 35 0.701 3.889 -8.329 1.00 0.00 O ATOM 0 H GLU A 35 -3.078 5.332 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.753 4.078 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.661 3.239 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.599 3.175 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.291 5.303 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.317 5.311 -8.439 1.00 0.00 H new ATOM 542 N LYS A 36 -3.185 6.619 -8.054 1.00 0.00 N ATOM 543 CA LYS A 36 -3.208 7.503 -6.892 1.00 0.00 C ATOM 544 C LYS A 36 -4.590 8.118 -6.690 1.00 0.00 C ATOM 545 O LYS A 36 -5.180 8.008 -5.615 1.00 0.00 O ATOM 546 CB LYS A 36 -2.183 8.624 -7.053 1.00 0.00 C ATOM 547 CG LYS A 36 -2.084 9.529 -5.835 1.00 0.00 C ATOM 548 CD LYS A 36 -1.390 10.838 -6.164 1.00 0.00 C ATOM 549 CE LYS A 36 -2.261 11.716 -7.049 1.00 0.00 C ATOM 550 NZ LYS A 36 -3.508 12.146 -6.355 1.00 0.00 N ATOM 0 H LYS A 36 -2.504 6.876 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.960 6.899 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.205 8.186 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.446 9.225 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.083 9.733 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.537 9.016 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.153 11.369 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.445 10.635 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.695 12.596 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.521 11.171 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.335 11.775 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.508 11.778 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.552 13.185 -6.332 1.00 0.00 H new ATOM 564 N ASP A 37 -5.095 8.774 -7.731 1.00 0.00 N ATOM 565 CA ASP A 37 -6.403 9.420 -7.671 1.00 0.00 C ATOM 566 C ASP A 37 -7.493 8.440 -7.244 1.00 0.00 C ATOM 567 O ASP A 37 -8.328 8.760 -6.398 1.00 0.00 O ATOM 568 CB ASP A 37 -6.753 10.037 -9.025 1.00 0.00 C ATOM 569 CG ASP A 37 -5.858 11.212 -9.372 1.00 0.00 C ATOM 570 OD1 ASP A 37 -5.841 12.192 -8.596 1.00 0.00 O ATOM 571 OD2 ASP A 37 -5.177 11.154 -10.415 1.00 0.00 O ATOM 0 H ASP A 37 -4.618 8.872 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.348 10.209 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.667 9.276 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.792 10.366 -9.014 1.00 0.00 H new ATOM 576 N ILE A 38 -7.477 7.245 -7.826 1.00 0.00 N ATOM 577 CA ILE A 38 -8.466 6.224 -7.496 1.00 0.00 C ATOM 578 C ILE A 38 -8.548 6.010 -5.986 1.00 0.00 C ATOM 579 O ILE A 38 -9.634 5.881 -5.424 1.00 0.00 O ATOM 580 CB ILE A 38 -8.131 4.881 -8.183 1.00 0.00 C ATOM 581 CG1 ILE A 38 -8.194 5.032 -9.702 1.00 0.00 C ATOM 582 CG2 ILE A 38 -9.082 3.783 -7.726 1.00 0.00 C ATOM 583 CD1 ILE A 38 -7.697 3.813 -10.447 1.00 0.00 C ATOM 0 H ILE A 38 -6.792 6.960 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.430 6.579 -7.861 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.118 4.598 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.223 5.235 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.601 5.897 -9.999 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.825 2.848 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.997 3.654 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.105 4.059 -7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.769 3.988 -11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.658 3.622 -10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.305 2.949 -10.178 1.00 0.00 H new ATOM 595 N ALA A 39 -7.390 5.972 -5.339 1.00 0.00 N ATOM 596 CA ALA A 39 -7.327 5.769 -3.897 1.00 0.00 C ATOM 597 C ALA A 39 -7.884 6.967 -3.134 1.00 0.00 C ATOM 598 O ALA A 39 -8.602 6.803 -2.148 1.00 0.00 O ATOM 599 CB ALA A 39 -5.895 5.489 -3.468 1.00 0.00 C ATOM 0 H ALA A 39 -6.481 6.079 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.948 4.906 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.861 5.339 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.533 4.592 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.263 6.335 -3.737 1.00 0.00 H new ATOM 605 N ALA A 40 -7.541 8.169 -3.583 1.00 0.00 N ATOM 606 CA ALA A 40 -8.003 9.385 -2.925 1.00 0.00 C ATOM 607 C ALA A 40 -9.524 9.513 -2.972 1.00 0.00 C ATOM 608 O ALA A 40 -10.159 9.838 -1.967 1.00 0.00 O ATOM 609 CB ALA A 40 -7.353 10.605 -3.561 1.00 0.00 C ATOM 0 H ALA A 40 -6.947 8.327 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.710 9.325 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.706 11.507 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.270 10.534 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.617 10.649 -4.618 1.00 0.00 H new ATOM 615 N HIS A 41 -10.100 9.275 -4.144 1.00 0.00 N ATOM 616 CA HIS A 41 -11.545 9.386 -4.325 1.00 0.00 C ATOM 617 C HIS A 41 -12.299 8.299 -3.564 1.00 0.00 C ATOM 618 O HIS A 41 -13.194 8.594 -2.774 1.00 0.00 O ATOM 619 CB HIS A 41 -11.890 9.322 -5.810 1.00 0.00 C ATOM 620 CG HIS A 41 -11.115 10.304 -6.629 1.00 0.00 C ATOM 621 ND1 HIS A 41 -11.104 11.657 -6.365 1.00 0.00 N ATOM 622 CD2 HIS A 41 -10.301 10.121 -7.694 1.00 0.00 C ATOM 623 CE1 HIS A 41 -10.314 12.265 -7.231 1.00 0.00 C ATOM 624 NE2 HIS A 41 -9.813 11.357 -8.047 1.00 0.00 N ATOM 0 H HIS A 41 -9.590 9.004 -4.985 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.857 10.348 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.697 8.315 -6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -12.956 9.510 -5.939 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.625 12.116 -5.618 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.077 9.181 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.112 13.325 -7.266 1.00 0.00 H new ATOM 633 N ILE A 42 -11.941 7.044 -3.806 1.00 0.00 N ATOM 634 CA ILE A 42 -12.600 5.926 -3.141 1.00 0.00 C ATOM 635 C ILE A 42 -12.479 6.030 -1.622 1.00 0.00 C ATOM 636 O ILE A 42 -13.433 5.759 -0.893 1.00 0.00 O ATOM 637 CB ILE A 42 -12.016 4.570 -3.599 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.215 4.382 -5.104 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.663 3.425 -2.833 1.00 0.00 C ATOM 640 CD1 ILE A 42 -11.658 3.076 -5.625 1.00 0.00 C ATOM 0 H ILE A 42 -11.201 6.775 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.652 5.975 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.947 4.568 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.280 4.431 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.739 5.208 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.240 2.478 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.475 3.549 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.738 3.427 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.833 3.008 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.587 3.033 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.152 2.244 -5.123 1.00 0.00 H new ATOM 652 N LYS A 43 -11.295 6.405 -1.152 1.00 0.00 N ATOM 653 CA LYS A 43 -11.043 6.523 0.280 1.00 0.00 C ATOM 654 C LYS A 43 -11.957 7.553 0.944 1.00 0.00 C ATOM 655 O LYS A 43 -12.611 7.255 1.942 1.00 0.00 O ATOM 656 CB LYS A 43 -9.579 6.893 0.527 1.00 0.00 C ATOM 657 CG LYS A 43 -9.217 6.991 2.000 1.00 0.00 C ATOM 658 CD LYS A 43 -7.751 7.349 2.190 1.00 0.00 C ATOM 659 CE LYS A 43 -7.386 7.433 3.663 1.00 0.00 C ATOM 660 NZ LYS A 43 -8.190 8.463 4.377 1.00 0.00 N ATOM 0 H LYS A 43 -10.494 6.633 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.259 5.553 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.940 6.148 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.368 7.848 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.842 7.744 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.428 6.041 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.126 6.602 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.543 8.304 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.542 6.461 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.326 7.667 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.789 8.621 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.170 9.353 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.173 8.135 4.468 1.00 0.00 H new ATOM 674 N LYS A 44 -11.984 8.769 0.405 1.00 0.00 N ATOM 675 CA LYS A 44 -12.804 9.833 0.981 1.00 0.00 C ATOM 676 C LYS A 44 -14.292 9.488 0.946 1.00 0.00 C ATOM 677 O LYS A 44 -15.006 9.703 1.926 1.00 0.00 O ATOM 678 CB LYS A 44 -12.561 11.159 0.255 1.00 0.00 C ATOM 679 CG LYS A 44 -13.054 11.180 -1.184 1.00 0.00 C ATOM 680 CD LYS A 44 -12.848 12.546 -1.820 1.00 0.00 C ATOM 681 CE LYS A 44 -13.458 12.614 -3.211 1.00 0.00 C ATOM 682 NZ LYS A 44 -13.262 13.951 -3.838 1.00 0.00 N ATOM 0 H LYS A 44 -11.453 9.042 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.506 9.936 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.053 11.959 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.493 11.376 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.524 10.424 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.112 10.920 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.295 13.313 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.782 12.763 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.009 11.847 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.524 12.394 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.692 13.957 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.712 14.680 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.245 14.151 -3.919 1.00 0.00 H new ATOM 696 N GLU A 45 -14.760 8.964 -0.181 1.00 0.00 N ATOM 697 CA GLU A 45 -16.170 8.608 -0.324 1.00 0.00 C ATOM 698 C GLU A 45 -16.614 7.649 0.776 1.00 0.00 C ATOM 699 O GLU A 45 -17.651 7.856 1.407 1.00 0.00 O ATOM 700 CB GLU A 45 -16.426 7.984 -1.698 1.00 0.00 C ATOM 701 CG GLU A 45 -16.225 8.947 -2.857 1.00 0.00 C ATOM 702 CD GLU A 45 -17.216 10.095 -2.848 1.00 0.00 C ATOM 703 OE1 GLU A 45 -17.208 10.881 -1.876 1.00 0.00 O ATOM 704 OE2 GLU A 45 -18.000 10.210 -3.813 1.00 0.00 O ATOM 0 H GLU A 45 -14.189 8.776 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.755 9.523 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.761 7.130 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.446 7.602 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.212 9.348 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.317 8.402 -3.796 1.00 0.00 H new ATOM 711 N PHE A 46 -15.830 6.601 1.003 1.00 0.00 N ATOM 712 CA PHE A 46 -16.158 5.618 2.030 1.00 0.00 C ATOM 713 C PHE A 46 -15.955 6.177 3.434 1.00 0.00 C ATOM 714 O PHE A 46 -16.794 5.986 4.313 1.00 0.00 O ATOM 715 CB PHE A 46 -15.334 4.345 1.843 1.00 0.00 C ATOM 716 CG PHE A 46 -15.788 3.496 0.689 1.00 0.00 C ATOM 717 CD1 PHE A 46 -17.107 3.081 0.601 1.00 0.00 C ATOM 718 CD2 PHE A 46 -14.899 3.109 -0.300 1.00 0.00 C ATOM 719 CE1 PHE A 46 -17.531 2.294 -0.453 1.00 0.00 C ATOM 720 CE2 PHE A 46 -15.318 2.321 -1.357 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.636 1.915 -1.433 1.00 0.00 C ATOM 0 H PHE A 46 -14.967 6.410 0.493 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.215 5.374 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.289 4.618 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.381 3.754 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.812 3.376 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.868 3.426 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -18.562 1.976 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.616 2.024 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.966 1.302 -2.258 1.00 0.00 H new ATOM 731 N ASP A 47 -14.836 6.862 3.645 1.00 0.00 N ATOM 732 CA ASP A 47 -14.532 7.442 4.949 1.00 0.00 C ATOM 733 C ASP A 47 -15.654 8.364 5.416 1.00 0.00 C ATOM 734 O ASP A 47 -15.941 8.456 6.606 1.00 0.00 O ATOM 735 CB ASP A 47 -13.211 8.213 4.899 1.00 0.00 C ATOM 736 CG ASP A 47 -12.026 7.322 4.579 1.00 0.00 C ATOM 737 OD1 ASP A 47 -12.233 6.106 4.381 1.00 0.00 O ATOM 738 OD2 ASP A 47 -10.892 7.840 4.526 1.00 0.00 O ATOM 0 H ASP A 47 -14.126 7.029 2.932 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.439 6.624 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.282 9.000 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.044 8.702 5.859 1.00 0.00 H new ATOM 743 N LYS A 48 -16.278 9.052 4.470 1.00 0.00 N ATOM 744 CA LYS A 48 -17.362 9.972 4.780 1.00 0.00 C ATOM 745 C LYS A 48 -18.695 9.239 4.911 1.00 0.00 C ATOM 746 O LYS A 48 -19.513 9.562 5.772 1.00 0.00 O ATOM 747 CB LYS A 48 -17.457 11.039 3.688 1.00 0.00 C ATOM 748 CG LYS A 48 -18.656 11.959 3.833 1.00 0.00 C ATOM 749 CD LYS A 48 -18.652 12.710 5.158 1.00 0.00 C ATOM 750 CE LYS A 48 -17.562 13.772 5.215 1.00 0.00 C ATOM 751 NZ LYS A 48 -16.197 13.183 5.287 1.00 0.00 N ATOM 0 H LYS A 48 -16.050 8.989 3.478 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.145 10.444 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.547 11.639 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.503 10.548 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.662 12.676 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.572 11.374 3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.623 13.181 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.510 12.002 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.633 14.409 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.725 14.410 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.615 13.735 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.260 12.200 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.761 13.202 4.343 1.00 0.00 H new ATOM 765 N LYS A 49 -18.913 8.271 4.032 1.00 0.00 N ATOM 766 CA LYS A 49 -20.156 7.508 4.018 1.00 0.00 C ATOM 767 C LYS A 49 -20.183 6.407 5.076 1.00 0.00 C ATOM 768 O LYS A 49 -21.058 6.387 5.942 1.00 0.00 O ATOM 769 CB LYS A 49 -20.362 6.898 2.632 1.00 0.00 C ATOM 770 CG LYS A 49 -21.625 6.066 2.512 1.00 0.00 C ATOM 771 CD LYS A 49 -22.868 6.889 2.806 1.00 0.00 C ATOM 772 CE LYS A 49 -23.011 8.050 1.834 1.00 0.00 C ATOM 773 NZ LYS A 49 -24.230 8.858 2.109 1.00 0.00 N ATOM 0 H LYS A 49 -18.242 7.993 3.315 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.965 8.199 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.394 7.699 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.502 6.274 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.693 5.650 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.574 5.224 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.750 6.252 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.820 7.271 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.130 8.689 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -23.052 7.667 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -24.290 9.639 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.073 8.255 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -24.180 9.245 3.073 1.00 0.00 H new ATOM 787 N TYR A 50 -19.242 5.482 4.979 1.00 0.00 N ATOM 788 CA TYR A 50 -19.172 4.354 5.905 1.00 0.00 C ATOM 789 C TYR A 50 -18.402 4.688 7.177 1.00 0.00 C ATOM 790 O TYR A 50 -18.528 3.984 8.178 1.00 0.00 O ATOM 791 CB TYR A 50 -18.545 3.144 5.211 1.00 0.00 C ATOM 792 CG TYR A 50 -19.387 2.600 4.077 1.00 0.00 C ATOM 793 CD1 TYR A 50 -19.709 3.392 2.982 1.00 0.00 C ATOM 794 CD2 TYR A 50 -19.867 1.296 4.106 1.00 0.00 C ATOM 795 CE1 TYR A 50 -20.481 2.902 1.949 1.00 0.00 C ATOM 796 CE2 TYR A 50 -20.639 0.798 3.075 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.945 1.604 1.999 1.00 0.00 C ATOM 798 OH TYR A 50 -21.716 1.112 0.971 1.00 0.00 O ATOM 0 H TYR A 50 -18.512 5.487 4.267 1.00 0.00 H new ATOM 0 HA TYR A 50 -20.194 4.118 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.565 3.423 4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.385 2.355 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -19.349 4.409 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -19.632 0.662 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -20.721 3.532 1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -21.002 -0.219 3.111 1.00 0.00 H new ATOM 0 HH TYR A 50 -21.959 0.182 1.161 1.00 0.00 H new ATOM 808 N ASN A 51 -17.593 5.750 7.129 1.00 0.00 N ATOM 809 CA ASN A 51 -16.777 6.182 8.271 1.00 0.00 C ATOM 810 C ASN A 51 -15.382 5.578 8.177 1.00 0.00 C ATOM 811 O ASN A 51 -15.216 4.453 7.705 1.00 0.00 O ATOM 812 CB ASN A 51 -17.420 5.812 9.615 1.00 0.00 C ATOM 813 CG ASN A 51 -18.846 6.317 9.735 1.00 0.00 C ATOM 814 OD1 ASN A 51 -19.099 7.518 9.648 1.00 0.00 O ATOM 815 ND2 ASN A 51 -19.783 5.399 9.939 1.00 0.00 N ATOM 0 H ASN A 51 -17.484 6.334 6.300 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.709 7.269 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.411 4.728 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.822 6.226 10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.760 5.679 10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.526 4.414 10.004 1.00 0.00 H new ATOM 822 N PRO A 52 -14.351 6.323 8.607 1.00 0.00 N ATOM 823 CA PRO A 52 -12.964 5.856 8.546 1.00 0.00 C ATOM 824 C PRO A 52 -12.725 4.586 9.371 1.00 0.00 C ATOM 825 O PRO A 52 -13.588 4.174 10.144 1.00 0.00 O ATOM 826 CB PRO A 52 -12.156 7.026 9.124 1.00 0.00 C ATOM 827 CG PRO A 52 -13.053 8.210 9.018 1.00 0.00 C ATOM 828 CD PRO A 52 -14.449 7.681 9.171 1.00 0.00 C ATOM 0 HA PRO A 52 -12.682 5.587 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.875 6.837 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.232 7.180 8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.826 8.943 9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.928 8.711 8.058 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -14.762 7.663 10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.173 8.291 8.631 1.00 0.00 H new ATOM 836 N THR A 53 -11.548 3.961 9.202 1.00 0.00 N ATOM 837 CA THR A 53 -10.523 4.449 8.284 1.00 0.00 C ATOM 838 C THR A 53 -10.260 3.444 7.172 1.00 0.00 C ATOM 839 O THR A 53 -9.898 2.299 7.430 1.00 0.00 O ATOM 840 CB THR A 53 -9.233 4.729 9.050 1.00 0.00 C ATOM 841 OG1 THR A 53 -8.267 5.332 8.207 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.607 3.486 9.647 1.00 0.00 C ATOM 0 H THR A 53 -11.288 3.109 9.698 1.00 0.00 H new ATOM 0 HA THR A 53 -10.883 5.372 7.829 1.00 0.00 H new ATOM 0 HB THR A 53 -9.522 5.397 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.556 4.687 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.694 3.757 10.177 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.307 3.024 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.368 2.781 8.851 1.00 0.00 H new ATOM 850 N TRP A 54 -10.452 3.885 5.933 1.00 0.00 N ATOM 851 CA TRP A 54 -10.245 3.027 4.775 1.00 0.00 C ATOM 852 C TRP A 54 -8.850 3.183 4.191 1.00 0.00 C ATOM 853 O TRP A 54 -8.408 4.289 3.882 1.00 0.00 O ATOM 854 CB TRP A 54 -11.291 3.328 3.706 1.00 0.00 C ATOM 855 CG TRP A 54 -12.683 3.083 4.185 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.316 3.725 5.209 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.605 2.115 3.680 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.582 3.223 5.368 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.784 2.231 4.441 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.550 1.164 2.658 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.900 1.430 4.209 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.658 0.369 2.429 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.819 0.507 3.200 1.00 0.00 C ATOM 0 H TRP A 54 -10.751 4.833 5.706 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.349 1.995 5.111 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -11.196 4.367 3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -11.098 2.710 2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -12.883 4.513 5.807 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.262 3.535 6.061 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.659 1.052 2.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.796 1.533 4.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.628 -0.371 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.668 -0.128 2.995 1.00 0.00 H new ATOM 874 N HIS A 55 -8.173 2.055 4.022 1.00 0.00 N ATOM 875 CA HIS A 55 -6.836 2.038 3.452 1.00 0.00 C ATOM 876 C HIS A 55 -6.929 1.612 1.994 1.00 0.00 C ATOM 877 O HIS A 55 -7.671 0.685 1.667 1.00 0.00 O ATOM 878 CB HIS A 55 -5.942 1.072 4.229 1.00 0.00 C ATOM 879 CG HIS A 55 -6.118 1.165 5.713 1.00 0.00 C ATOM 880 ND1 HIS A 55 -5.956 2.336 6.422 1.00 0.00 N ATOM 881 CD2 HIS A 55 -6.452 0.220 6.622 1.00 0.00 C ATOM 882 CE1 HIS A 55 -6.180 2.106 7.704 1.00 0.00 C ATOM 883 NE2 HIS A 55 -6.483 0.830 7.851 1.00 0.00 N ATOM 0 H HIS A 55 -8.533 1.134 4.274 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.398 3.034 3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.156 0.052 3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.900 1.273 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.656 -0.821 6.418 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.125 2.838 8.496 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.704 0.371 8.735 1.00 0.00 H new ATOM 892 N CYS A 56 -6.205 2.287 1.110 1.00 0.00 N ATOM 893 CA CYS A 56 -6.268 1.945 -0.306 1.00 0.00 C ATOM 894 C CYS A 56 -4.893 1.907 -0.954 1.00 0.00 C ATOM 895 O CYS A 56 -3.987 2.652 -0.580 1.00 0.00 O ATOM 896 CB CYS A 56 -7.164 2.929 -1.054 1.00 0.00 C ATOM 897 SG CYS A 56 -7.413 2.509 -2.795 1.00 0.00 S ATOM 0 H CYS A 56 -5.579 3.059 1.341 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.691 0.943 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.134 2.973 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.727 3.926 -0.989 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.593 1.227 -2.911 1.00 0.00 H new ATOM 903 N ILE A 57 -4.760 1.028 -1.941 1.00 0.00 N ATOM 904 CA ILE A 57 -3.516 0.866 -2.677 1.00 0.00 C ATOM 905 C ILE A 57 -3.815 0.458 -4.116 1.00 0.00 C ATOM 906 O ILE A 57 -4.655 -0.407 -4.363 1.00 0.00 O ATOM 907 CB ILE A 57 -2.611 -0.199 -2.026 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.356 0.148 -0.558 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.295 -0.317 -2.783 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.474 -0.851 0.156 1.00 0.00 C ATOM 0 H ILE A 57 -5.510 0.410 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.992 1.822 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.120 -1.162 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.894 1.134 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.312 0.214 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.669 -1.073 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.494 -0.605 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.779 0.643 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.337 -0.540 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.944 -1.834 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.504 -0.900 -0.340 1.00 0.00 H new ATOM 922 N VAL A 58 -3.132 1.089 -5.061 1.00 0.00 N ATOM 923 CA VAL A 58 -3.337 0.795 -6.470 1.00 0.00 C ATOM 924 C VAL A 58 -2.031 0.908 -7.247 1.00 0.00 C ATOM 925 O VAL A 58 -1.284 1.875 -7.092 1.00 0.00 O ATOM 926 CB VAL A 58 -4.382 1.741 -7.095 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.631 1.386 -8.554 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.679 1.699 -6.300 1.00 0.00 C ATOM 0 H VAL A 58 -2.432 1.807 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.706 -0.229 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.989 2.757 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.372 2.067 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.700 1.474 -9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.000 0.363 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.406 2.372 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.074 0.683 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.487 2.012 -5.274 1.00 0.00 H new ATOM 938 N GLY A 59 -1.764 -0.088 -8.081 1.00 0.00 N ATOM 939 CA GLY A 59 -0.549 -0.089 -8.871 1.00 0.00 C ATOM 940 C GLY A 59 -0.428 -1.329 -9.735 1.00 0.00 C ATOM 941 O GLY A 59 -1.377 -1.706 -10.422 1.00 0.00 O ATOM 0 H GLY A 59 -2.369 -0.897 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.530 0.797 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.314 -0.025 -8.208 1.00 0.00 H new ATOM 945 N ARG A 60 0.738 -1.966 -9.705 1.00 0.00 N ATOM 946 CA ARG A 60 0.961 -3.174 -10.501 1.00 0.00 C ATOM 947 C ARG A 60 2.363 -3.743 -10.288 1.00 0.00 C ATOM 948 O ARG A 60 3.003 -4.193 -11.237 1.00 0.00 O ATOM 949 CB ARG A 60 0.753 -2.869 -11.986 1.00 0.00 C ATOM 950 CG ARG A 60 1.655 -1.762 -12.507 1.00 0.00 C ATOM 951 CD ARG A 60 1.443 -1.519 -13.993 1.00 0.00 C ATOM 952 NE ARG A 60 2.283 -0.436 -14.496 1.00 0.00 N ATOM 953 CZ ARG A 60 2.288 -0.029 -15.764 1.00 0.00 C ATOM 954 NH1 ARG A 60 1.501 -0.613 -16.657 1.00 0.00 N ATOM 955 NH2 ARG A 60 3.084 0.965 -16.137 1.00 0.00 N ATOM 0 H ARG A 60 1.538 -1.672 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 60 0.240 -3.922 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.932 -3.776 -12.564 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.287 -2.587 -12.149 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.459 -0.842 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.697 -2.026 -12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.662 -2.433 -14.545 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.395 -1.280 -14.175 1.00 0.00 H new ATOM 0 HE ARG A 60 2.902 0.037 -13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.888 -1.378 -16.374 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.508 -0.298 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.691 1.416 -15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.089 1.278 -17.108 1.00 0.00 H new ATOM 969 N ASN A 61 2.827 -3.728 -9.037 1.00 0.00 N ATOM 970 CA ASN A 61 4.153 -4.247 -8.685 1.00 0.00 C ATOM 971 C ASN A 61 4.573 -3.733 -7.313 1.00 0.00 C ATOM 972 O ASN A 61 5.309 -2.751 -7.213 1.00 0.00 O ATOM 973 CB ASN A 61 5.207 -3.839 -9.726 1.00 0.00 C ATOM 974 CG ASN A 61 6.608 -4.354 -9.411 1.00 0.00 C ATOM 975 OD1 ASN A 61 6.725 -5.284 -8.465 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 7.580 -3.935 -10.038 1.00 0.00 N flip ATOM 0 H ASN A 61 2.301 -3.360 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 61 4.088 -5.335 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.903 -4.212 -10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.236 -2.752 -9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.455 -3.222 -10.756 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.511 -4.301 -9.839 1.00 0.00 H new ATOM 983 N PHE A 62 4.103 -4.388 -6.257 1.00 0.00 N ATOM 984 CA PHE A 62 4.448 -3.962 -4.906 1.00 0.00 C ATOM 985 C PHE A 62 3.977 -4.951 -3.845 1.00 0.00 C ATOM 986 O PHE A 62 2.854 -5.455 -3.892 1.00 0.00 O ATOM 987 CB PHE A 62 3.849 -2.582 -4.635 1.00 0.00 C ATOM 988 CG PHE A 62 2.344 -2.550 -4.676 1.00 0.00 C ATOM 989 CD1 PHE A 62 1.593 -3.135 -3.669 1.00 0.00 C ATOM 990 CD2 PHE A 62 1.678 -1.935 -5.728 1.00 0.00 C ATOM 991 CE1 PHE A 62 0.211 -3.108 -3.706 1.00 0.00 C ATOM 992 CE2 PHE A 62 0.296 -1.905 -5.770 1.00 0.00 C ATOM 993 CZ PHE A 62 -0.438 -2.491 -4.758 1.00 0.00 C ATOM 0 H PHE A 62 3.492 -5.203 -6.308 1.00 0.00 H new ATOM 0 HA PHE A 62 5.535 -3.918 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.183 -2.238 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.238 -1.878 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.094 -3.619 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.246 -1.475 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.360 -3.569 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.209 -1.423 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.517 -2.467 -4.789 1.00 0.00 H new ATOM 1003 N GLY A 63 4.849 -5.201 -2.875 1.00 0.00 N ATOM 1004 CA GLY A 63 4.523 -6.096 -1.779 1.00 0.00 C ATOM 1005 C GLY A 63 4.021 -5.316 -0.584 1.00 0.00 C ATOM 1006 O GLY A 63 4.403 -4.162 -0.405 1.00 0.00 O ATOM 0 H GLY A 63 5.784 -4.796 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.764 -6.810 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.405 -6.673 -1.499 1.00 0.00 H new ATOM 1010 N SER A 64 3.154 -5.910 0.232 1.00 0.00 N ATOM 1011 CA SER A 64 2.627 -5.181 1.380 1.00 0.00 C ATOM 1012 C SER A 64 1.915 -6.067 2.398 1.00 0.00 C ATOM 1013 O SER A 64 1.382 -7.131 2.072 1.00 0.00 O ATOM 1014 CB SER A 64 1.669 -4.090 0.905 1.00 0.00 C ATOM 1015 OG SER A 64 0.610 -4.638 0.141 1.00 0.00 O ATOM 0 H SER A 64 2.810 -6.864 0.125 1.00 0.00 H new ATOM 0 HA SER A 64 3.490 -4.749 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.263 -3.558 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.213 -3.359 0.306 1.00 0.00 H new ATOM 0 HG SER A 64 0.010 -3.919 -0.149 1.00 0.00 H new ATOM 1021 N TYR A 65 1.898 -5.572 3.634 1.00 0.00 N ATOM 1022 CA TYR A 65 1.242 -6.235 4.755 1.00 0.00 C ATOM 1023 C TYR A 65 0.503 -5.192 5.589 1.00 0.00 C ATOM 1024 O TYR A 65 1.011 -4.095 5.818 1.00 0.00 O ATOM 1025 CB TYR A 65 2.257 -6.987 5.620 1.00 0.00 C ATOM 1026 CG TYR A 65 2.622 -8.352 5.080 1.00 0.00 C ATOM 1027 CD1 TYR A 65 1.655 -9.338 4.931 1.00 0.00 C ATOM 1028 CD2 TYR A 65 3.929 -8.657 4.725 1.00 0.00 C ATOM 1029 CE1 TYR A 65 1.979 -10.588 4.445 1.00 0.00 C ATOM 1030 CE2 TYR A 65 4.260 -9.906 4.236 1.00 0.00 C ATOM 1031 CZ TYR A 65 3.283 -10.868 4.099 1.00 0.00 C ATOM 1032 OH TYR A 65 3.611 -12.113 3.612 1.00 0.00 O ATOM 0 H TYR A 65 2.344 -4.690 3.886 1.00 0.00 H new ATOM 0 HA TYR A 65 0.532 -6.966 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.162 -6.386 5.707 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.851 -7.100 6.625 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.632 -9.122 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.698 -7.907 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.214 -11.343 4.336 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.281 -10.128 3.962 1.00 0.00 H new ATOM 0 HH TYR A 65 4.571 -12.145 3.415 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.711 -5.524 6.011 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.533 -4.599 6.784 1.00 0.00 C ATOM 1044 C VAL A 66 -2.542 -5.354 7.639 1.00 0.00 C ATOM 1045 O VAL A 66 -2.855 -6.499 7.357 1.00 0.00 O ATOM 1046 CB VAL A 66 -2.312 -3.655 5.845 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -2.963 -2.521 6.619 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -1.408 -3.111 4.748 1.00 0.00 C ATOM 0 H VAL A 66 -1.149 -6.427 5.831 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.863 -4.025 7.424 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.105 -4.237 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.504 -1.873 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.658 -2.932 7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.195 -1.943 7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.981 -2.448 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.584 -2.556 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.010 -3.939 4.161 1.00 0.00 H new ATOM 1058 N THR A 67 -3.060 -4.705 8.674 1.00 0.00 N ATOM 1059 CA THR A 67 -4.054 -5.327 9.548 1.00 0.00 C ATOM 1060 C THR A 67 -5.369 -4.561 9.467 1.00 0.00 C ATOM 1061 O THR A 67 -5.376 -3.351 9.242 1.00 0.00 O ATOM 1062 CB THR A 67 -3.553 -5.375 10.992 1.00 0.00 C ATOM 1063 OG1 THR A 67 -2.345 -6.112 11.079 1.00 0.00 O ATOM 1064 CG2 THR A 67 -4.541 -6.002 11.950 1.00 0.00 C ATOM 0 H THR A 67 -2.811 -3.750 8.931 1.00 0.00 H new ATOM 0 HA THR A 67 -4.219 -6.351 9.213 1.00 0.00 H new ATOM 0 HB THR A 67 -3.404 -4.334 11.280 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.537 -7.018 11.399 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.121 -6.004 12.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.468 -5.428 11.944 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.747 -7.027 11.641 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.486 -5.269 9.615 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.794 -4.633 9.514 1.00 0.00 C ATOM 1074 C HIS A 68 -8.907 -5.521 10.061 1.00 0.00 C ATOM 1075 O HIS A 68 -8.794 -6.746 10.080 1.00 0.00 O ATOM 1076 CB HIS A 68 -8.066 -4.320 8.051 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.981 -5.539 7.191 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -8.984 -6.481 7.128 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -6.984 -5.998 6.401 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -8.607 -7.469 6.338 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -7.397 -7.199 5.882 1.00 0.00 N ATOM 0 H HIS A 68 -6.511 -6.271 9.803 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.781 -3.722 10.113 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.057 -3.876 7.954 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.349 -3.578 7.700 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -9.878 -6.424 7.616 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.039 -5.510 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.189 -8.348 6.104 1.00 0.00 H new ATOM 1090 N GLU A 69 -9.986 -4.880 10.497 1.00 0.00 N ATOM 1091 CA GLU A 69 -11.141 -5.583 11.042 1.00 0.00 C ATOM 1092 C GLU A 69 -11.730 -6.553 10.016 1.00 0.00 C ATOM 1093 O GLU A 69 -11.810 -6.241 8.827 1.00 0.00 O ATOM 1094 CB GLU A 69 -12.200 -4.568 11.476 1.00 0.00 C ATOM 1095 CG GLU A 69 -13.472 -5.195 12.014 1.00 0.00 C ATOM 1096 CD GLU A 69 -13.225 -6.071 13.226 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -12.721 -5.550 14.242 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -13.538 -7.278 13.159 1.00 0.00 O ATOM 0 H GLU A 69 -10.084 -3.865 10.483 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.817 -6.164 11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.775 -3.920 12.242 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.451 -3.934 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.177 -4.407 12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.939 -5.791 11.229 1.00 0.00 H new ATOM 1105 N THR A 70 -12.137 -7.731 10.485 1.00 0.00 N ATOM 1106 CA THR A 70 -12.716 -8.750 9.612 1.00 0.00 C ATOM 1107 C THR A 70 -13.962 -8.231 8.901 1.00 0.00 C ATOM 1108 O THR A 70 -14.671 -7.369 9.417 1.00 0.00 O ATOM 1109 CB THR A 70 -13.066 -10.004 10.411 1.00 0.00 C ATOM 1110 OG1 THR A 70 -13.959 -9.695 11.468 1.00 0.00 O ATOM 1111 CG2 THR A 70 -11.860 -10.690 11.013 1.00 0.00 C ATOM 0 H THR A 70 -12.076 -8.004 11.466 1.00 0.00 H new ATOM 0 HA THR A 70 -11.968 -8.999 8.859 1.00 0.00 H new ATOM 0 HB THR A 70 -13.526 -10.682 9.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.592 -8.960 12.002 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.182 -11.572 11.566 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.177 -10.989 10.218 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.351 -10.003 11.689 1.00 0.00 H new ATOM 1119 N LYS A 71 -14.218 -8.767 7.709 1.00 0.00 N ATOM 1120 CA LYS A 71 -15.373 -8.366 6.910 1.00 0.00 C ATOM 1121 C LYS A 71 -15.254 -6.908 6.489 1.00 0.00 C ATOM 1122 O LYS A 71 -16.245 -6.179 6.438 1.00 0.00 O ATOM 1123 CB LYS A 71 -16.673 -8.579 7.688 1.00 0.00 C ATOM 1124 CG LYS A 71 -16.947 -10.034 8.030 1.00 0.00 C ATOM 1125 CD LYS A 71 -17.025 -10.894 6.781 1.00 0.00 C ATOM 1126 CE LYS A 71 -17.305 -12.349 7.122 1.00 0.00 C ATOM 1127 NZ LYS A 71 -18.596 -12.511 7.847 1.00 0.00 N ATOM 0 H LYS A 71 -13.637 -9.484 7.274 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.395 -8.990 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.634 -7.999 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.505 -8.190 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.159 -10.410 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.883 -10.109 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.810 -10.515 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.087 -10.822 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.327 -12.939 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.493 -12.741 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.859 -13.517 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.494 -12.160 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.338 -11.969 7.360 1.00 0.00 H new ATOM 1141 N HIS A 72 -14.033 -6.493 6.181 1.00 0.00 N ATOM 1142 CA HIS A 72 -13.769 -5.125 5.757 1.00 0.00 C ATOM 1143 C HIS A 72 -12.495 -5.058 4.920 1.00 0.00 C ATOM 1144 O HIS A 72 -11.565 -4.318 5.241 1.00 0.00 O ATOM 1145 CB HIS A 72 -13.649 -4.192 6.965 1.00 0.00 C ATOM 1146 CG HIS A 72 -14.913 -4.058 7.761 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -15.398 -5.053 8.581 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -15.798 -3.036 7.849 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -16.527 -4.653 9.138 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -16.791 -3.432 8.711 1.00 0.00 N ATOM 0 H HIS A 72 -13.205 -7.088 6.217 1.00 0.00 H new ATOM 0 HA HIS A 72 -14.610 -4.796 5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -12.858 -4.560 7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -13.343 -3.205 6.619 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.954 -5.958 8.734 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.734 -2.087 7.337 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -17.131 -5.227 9.825 1.00 0.00 H new ATOM 1159 N PHE A 73 -12.462 -5.839 3.844 1.00 0.00 N ATOM 1160 CA PHE A 73 -11.303 -5.873 2.962 1.00 0.00 C ATOM 1161 C PHE A 73 -11.677 -6.431 1.593 1.00 0.00 C ATOM 1162 O PHE A 73 -12.521 -7.319 1.483 1.00 0.00 O ATOM 1163 CB PHE A 73 -10.181 -6.705 3.591 1.00 0.00 C ATOM 1164 CG PHE A 73 -8.966 -6.852 2.718 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -9.001 -7.641 1.580 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -7.789 -6.195 3.038 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -7.886 -7.773 0.776 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -6.669 -6.325 2.238 1.00 0.00 C ATOM 1169 CZ PHE A 73 -6.718 -7.114 1.106 1.00 0.00 C ATOM 0 H PHE A 73 -13.224 -6.456 3.563 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.947 -4.852 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.885 -6.244 4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.567 -7.696 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.912 -8.159 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.746 -5.575 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.927 -8.390 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.756 -5.810 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.844 -7.216 0.479 1.00 0.00 H new ATOM 1179 N ILE A 74 -11.046 -5.898 0.551 1.00 0.00 N ATOM 1180 CA ILE A 74 -11.318 -6.342 -0.809 1.00 0.00 C ATOM 1181 C ILE A 74 -10.177 -5.971 -1.754 1.00 0.00 C ATOM 1182 O ILE A 74 -9.739 -4.822 -1.801 1.00 0.00 O ATOM 1183 CB ILE A 74 -12.633 -5.732 -1.339 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -12.920 -6.217 -2.764 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -12.571 -4.211 -1.293 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -14.209 -5.675 -3.338 1.00 0.00 C ATOM 0 H ILE A 74 -10.345 -5.160 0.623 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.412 -7.427 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 74 -13.448 -6.064 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.093 -5.926 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.960 -7.306 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -13.506 -3.797 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.418 -3.884 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.744 -3.862 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.347 -6.060 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.045 -5.988 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.165 -4.586 -3.367 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.711 -6.959 -2.511 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.632 -6.762 -3.469 1.00 0.00 C ATOM 1200 C TYR A 75 -9.079 -7.241 -4.847 1.00 0.00 C ATOM 1201 O TYR A 75 -9.668 -8.314 -4.972 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.387 -7.525 -3.013 1.00 0.00 C ATOM 1203 CG TYR A 75 -6.180 -7.329 -3.901 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -5.687 -6.058 -4.163 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.530 -8.416 -4.467 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.577 -5.877 -4.965 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.420 -8.244 -5.272 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.947 -6.974 -5.517 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.839 -6.802 -6.315 1.00 0.00 O ATOM 0 H TYR A 75 -10.069 -7.913 -2.477 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.386 -5.702 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.134 -7.212 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.622 -8.588 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.179 -5.198 -3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.898 -9.413 -4.275 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.204 -4.882 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.926 -9.101 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.956 -7.303 -7.149 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.826 -6.438 -5.878 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.245 -6.803 -7.227 1.00 0.00 C ATOM 1221 C PHE A 76 -8.575 -5.942 -8.298 1.00 0.00 C ATOM 1222 O PHE A 76 -8.471 -4.723 -8.159 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.767 -6.670 -7.344 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.277 -5.292 -7.023 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -11.128 -4.758 -5.752 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.904 -4.531 -7.995 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.596 -3.491 -5.460 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.374 -3.264 -7.708 1.00 0.00 C ATOM 1229 CZ PHE A 76 -12.220 -2.742 -6.439 1.00 0.00 C ATOM 0 H PHE A 76 -8.340 -5.544 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.938 -7.835 -7.396 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.070 -6.933 -8.357 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.239 -7.388 -6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.641 -5.338 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.027 -4.933 -8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.474 -3.086 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.862 -2.682 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.586 -1.752 -6.212 1.00 0.00 H new ATOM 1239 N TYR A 77 -8.143 -6.593 -9.377 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.505 -5.906 -10.497 1.00 0.00 C ATOM 1241 C TYR A 77 -8.544 -5.140 -11.308 1.00 0.00 C ATOM 1242 O TYR A 77 -9.721 -5.498 -11.306 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.790 -6.911 -11.404 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.581 -7.566 -10.775 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -4.445 -6.826 -10.471 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -5.572 -8.927 -10.495 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -3.335 -7.424 -9.906 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -4.466 -9.530 -9.927 1.00 0.00 C ATOM 1249 CZ TYR A 77 -3.351 -8.775 -9.634 1.00 0.00 C ATOM 1250 OH TYR A 77 -2.247 -9.373 -9.071 1.00 0.00 O ATOM 0 H TYR A 77 -8.225 -7.602 -9.499 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.773 -5.205 -10.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.498 -7.687 -11.696 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.480 -6.402 -12.317 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.429 -5.766 -10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.443 -9.523 -10.725 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.459 -6.835 -9.678 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.475 -10.589 -9.714 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.422 -10.329 -8.943 1.00 0.00 H new ATOM 1260 N LEU A 78 -8.114 -4.089 -12.004 1.00 0.00 N ATOM 1261 CA LEU A 78 -9.039 -3.297 -12.812 1.00 0.00 C ATOM 1262 C LEU A 78 -8.307 -2.448 -13.848 1.00 0.00 C ATOM 1263 O LEU A 78 -7.326 -1.771 -13.536 1.00 0.00 O ATOM 1264 CB LEU A 78 -9.891 -2.401 -11.913 1.00 0.00 C ATOM 1265 CG LEU A 78 -10.899 -1.518 -12.650 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.788 -2.362 -13.551 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.739 -0.734 -11.655 1.00 0.00 C ATOM 0 H LEU A 78 -7.146 -3.770 -12.025 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.683 -3.994 -13.348 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.431 -3.030 -11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.228 -1.761 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.351 -0.812 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.499 -1.717 -14.068 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.173 -2.884 -14.284 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.330 -3.090 -12.948 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.452 -0.110 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.278 -1.427 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.090 -0.103 -11.048 1.00 0.00 H new ATOM 1279 N GLY A 79 -8.801 -2.496 -15.086 1.00 0.00 N ATOM 1280 CA GLY A 79 -8.204 -1.739 -16.173 1.00 0.00 C ATOM 1281 C GLY A 79 -6.828 -2.247 -16.529 1.00 0.00 C ATOM 1282 O GLY A 79 -6.611 -2.773 -17.622 1.00 0.00 O ATOM 0 H GLY A 79 -9.612 -3.052 -15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.849 -1.795 -17.050 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.140 -0.688 -15.890 1.00 0.00 H new ATOM 1286 N GLN A 80 -5.902 -2.104 -15.596 1.00 0.00 N ATOM 1287 CA GLN A 80 -4.538 -2.562 -15.789 1.00 0.00 C ATOM 1288 C GLN A 80 -3.702 -2.251 -14.555 1.00 0.00 C ATOM 1289 O GLN A 80 -2.519 -1.926 -14.658 1.00 0.00 O ATOM 1290 CB GLN A 80 -3.915 -1.909 -17.024 1.00 0.00 C ATOM 1291 CG GLN A 80 -3.869 -0.392 -16.953 1.00 0.00 C ATOM 1292 CD GLN A 80 -3.245 0.232 -18.187 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -3.734 0.053 -19.302 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -2.158 0.969 -17.991 1.00 0.00 N ATOM 0 H GLN A 80 -6.073 -1.670 -14.689 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.557 -3.641 -15.944 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.902 -2.289 -17.153 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.482 -2.206 -17.906 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.881 -0.007 -16.828 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.302 -0.090 -16.072 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.787 1.090 -17.049 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.694 1.414 -18.783 1.00 0.00 H new ATOM 1303 N VAL A 81 -4.333 -2.354 -13.388 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.667 -2.082 -12.123 1.00 0.00 C ATOM 1305 C VAL A 81 -4.431 -2.710 -10.965 1.00 0.00 C ATOM 1306 O VAL A 81 -5.658 -2.613 -10.895 1.00 0.00 O ATOM 1307 CB VAL A 81 -3.538 -0.565 -11.868 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -2.639 0.085 -12.908 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -4.910 0.091 -11.858 1.00 0.00 C ATOM 0 H VAL A 81 -5.312 -2.626 -13.295 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.670 -2.518 -12.187 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.080 -0.421 -10.890 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.564 1.154 -12.707 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.647 -0.364 -12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.061 -0.069 -13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.801 1.160 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.395 -0.066 -12.821 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.519 -0.350 -11.069 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.704 -3.353 -10.060 1.00 0.00 N ATOM 1320 CA ALA A 82 -4.323 -3.991 -8.906 1.00 0.00 C ATOM 1321 C ALA A 82 -4.859 -2.950 -7.933 1.00 0.00 C ATOM 1322 O ALA A 82 -4.133 -2.051 -7.514 1.00 0.00 O ATOM 1323 CB ALA A 82 -3.324 -4.905 -8.212 1.00 0.00 C ATOM 0 H ALA A 82 -2.689 -3.446 -10.103 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.163 -4.591 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.799 -5.376 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.990 -5.674 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.467 -4.320 -7.879 1.00 0.00 H new ATOM 1329 N ILE A 83 -6.134 -3.077 -7.580 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.767 -2.144 -6.656 1.00 0.00 C ATOM 1331 C ILE A 83 -6.984 -2.785 -5.289 1.00 0.00 C ATOM 1332 O ILE A 83 -7.412 -3.935 -5.193 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.117 -1.642 -7.206 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -7.919 -0.992 -8.577 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.760 -0.659 -6.236 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.203 -0.485 -9.198 1.00 0.00 C ATOM 0 H ILE A 83 -6.749 -3.817 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.092 -1.295 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.785 -2.496 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.220 -0.161 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.461 -1.716 -9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.712 -0.316 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.931 -1.151 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.099 0.195 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.986 -0.037 -10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.897 -1.316 -9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.652 0.263 -8.545 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.682 -2.034 -4.235 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.841 -2.529 -2.872 1.00 0.00 C ATOM 1350 C LEU A 84 -7.656 -1.555 -2.025 1.00 0.00 C ATOM 1351 O LEU A 84 -7.510 -0.340 -2.145 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.471 -2.754 -2.230 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.505 -3.285 -0.796 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.196 -4.639 -0.743 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -4.095 -3.379 -0.231 1.00 0.00 C ATOM 0 H LEU A 84 -6.326 -1.080 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.378 -3.476 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.909 -3.455 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.924 -1.811 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.075 -2.587 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.210 -5.000 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.219 -4.540 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.655 -5.348 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.137 -3.758 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.501 -4.056 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.636 -2.390 -0.232 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.512 -2.101 -1.166 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.348 -1.286 -0.292 1.00 0.00 C ATOM 1369 C LEU A 85 -9.781 -2.088 0.931 1.00 0.00 C ATOM 1370 O LEU A 85 -10.118 -3.267 0.827 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.579 -0.776 -1.042 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.469 0.178 -0.243 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.709 1.447 0.109 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.733 0.507 -1.022 1.00 0.00 C ATOM 0 H LEU A 85 -8.645 -3.106 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.760 -0.429 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.250 -0.269 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.177 -1.632 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.758 -0.316 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.358 2.114 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.835 1.193 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.389 1.945 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.354 1.187 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.465 0.981 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.287 -0.410 -1.221 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.757 -1.443 2.093 1.00 0.00 N ATOM 1387 CA PHE A 86 -10.134 -2.098 3.340 1.00 0.00 C ATOM 1388 C PHE A 86 -10.057 -1.118 4.507 1.00 0.00 C ATOM 1389 O PHE A 86 -9.034 -0.466 4.712 1.00 0.00 O ATOM 1390 CB PHE A 86 -9.218 -3.297 3.603 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.764 -2.935 3.734 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -7.061 -2.415 2.656 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -7.101 -3.117 4.933 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.725 -2.086 2.778 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.766 -2.790 5.061 1.00 0.00 C ATOM 1396 CZ PHE A 86 -5.077 -2.273 3.981 1.00 0.00 C ATOM 0 H PHE A 86 -9.480 -0.467 2.197 1.00 0.00 H new ATOM 0 HA PHE A 86 -11.162 -2.448 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.542 -3.796 4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.332 -4.014 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.564 -2.266 1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.634 -3.520 5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.188 -1.683 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.261 -2.938 6.004 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.033 -2.016 4.079 1.00 0.00 H new ATOM 1406 N LYS A 87 -11.146 -1.007 5.264 1.00 0.00 N ATOM 1407 CA LYS A 87 -11.190 -0.090 6.398 1.00 0.00 C ATOM 1408 C LYS A 87 -10.875 -0.797 7.710 1.00 0.00 C ATOM 1409 O LYS A 87 -10.797 -2.024 7.770 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.555 0.601 6.479 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.694 -0.316 6.903 1.00 0.00 C ATOM 1412 CD LYS A 87 -13.887 -0.320 8.413 1.00 0.00 C ATOM 1413 CE LYS A 87 -14.735 0.857 8.878 1.00 0.00 C ATOM 1414 NZ LYS A 87 -14.099 2.169 8.575 1.00 0.00 N ATOM 0 H LYS A 87 -12.004 -1.537 5.114 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.420 0.665 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.489 1.430 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.791 1.029 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.617 0.004 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.490 -1.330 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.362 -1.253 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.914 -0.284 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.712 0.810 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.904 0.778 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.451 2.887 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.067 2.085 8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.334 2.453 7.603 1.00 0.00 H new ATOM 1428 N SER A 88 -10.693 -0.003 8.760 1.00 0.00 N ATOM 1429 CA SER A 88 -10.383 -0.530 10.080 1.00 0.00 C ATOM 1430 C SER A 88 -10.964 0.367 11.169 1.00 0.00 C ATOM 1431 O SER A 88 -10.880 1.592 11.090 1.00 0.00 O ATOM 1432 CB SER A 88 -8.870 -0.636 10.261 1.00 0.00 C ATOM 1433 OG SER A 88 -8.541 -1.179 11.526 1.00 0.00 O ATOM 0 H SER A 88 -10.756 1.014 8.719 1.00 0.00 H new ATOM 0 HA SER A 88 -10.829 -1.521 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.450 -1.262 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.419 0.351 10.158 1.00 0.00 H new ATOM 0 HG SER A 88 -7.567 -1.237 11.614 1.00 0.00 H new ATOM 1439 N GLY A 89 -11.555 -0.254 12.182 1.00 0.00 N ATOM 1440 CA GLY A 89 -12.143 0.499 13.272 1.00 0.00 C ATOM 1441 C GLY A 89 -13.242 1.435 12.805 1.00 0.00 C ATOM 1442 O GLY A 89 -14.210 0.949 12.185 1.00 0.00 O ATOM 1443 OXT GLY A 89 -13.132 2.652 13.059 1.00 0.00 O ATOM 0 H GLY A 89 -11.637 -1.267 12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.549 -0.193 14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.365 1.077 13.771 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 23.078 -4.362 12.801 1.00 0.00 N ATOM 1449 CA MET B 1 24.104 -3.530 13.481 1.00 0.00 C ATOM 1450 C MET B 1 25.328 -3.338 12.589 1.00 0.00 C ATOM 1451 O MET B 1 26.464 -3.510 13.026 1.00 0.00 O ATOM 1452 CB MET B 1 24.497 -4.220 14.791 1.00 0.00 C ATOM 1453 CG MET B 1 25.416 -3.388 15.671 1.00 0.00 C ATOM 1454 SD MET B 1 25.830 -4.215 17.218 1.00 0.00 S ATOM 1455 CE MET B 1 26.623 -5.700 16.607 1.00 0.00 C ATOM 0 H1 MET B 1 22.270 -4.507 13.439 1.00 0.00 H new ATOM 0 H2 MET B 1 22.755 -3.879 11.938 1.00 0.00 H new ATOM 0 H3 MET B 1 23.490 -5.283 12.549 1.00 0.00 H new ATOM 0 HA MET B 1 23.693 -2.542 13.690 1.00 0.00 H new ATOM 0 HB2 MET B 1 23.593 -4.459 15.350 1.00 0.00 H new ATOM 0 HB3 MET B 1 24.988 -5.165 14.560 1.00 0.00 H new ATOM 0 HG2 MET B 1 26.333 -3.166 15.125 1.00 0.00 H new ATOM 0 HG3 MET B 1 24.937 -2.434 15.890 1.00 0.00 H new ATOM 0 HE1 MET B 1 27.238 -6.134 17.395 1.00 0.00 H new ATOM 0 HE2 MET B 1 25.863 -6.419 16.302 1.00 0.00 H new ATOM 0 HE3 MET B 1 27.251 -5.451 15.752 1.00 0.00 H new ATOM 1467 N CYS B 2 25.084 -2.980 11.331 1.00 0.00 N ATOM 1468 CA CYS B 2 26.163 -2.766 10.374 1.00 0.00 C ATOM 1469 C CYS B 2 25.609 -2.325 9.022 1.00 0.00 C ATOM 1470 O CYS B 2 24.639 -2.896 8.523 1.00 0.00 O ATOM 1471 CB CYS B 2 26.990 -4.042 10.207 1.00 0.00 C ATOM 1472 SG CYS B 2 28.369 -3.884 9.050 1.00 0.00 S ATOM 0 H CYS B 2 24.149 -2.832 10.952 1.00 0.00 H new ATOM 0 HA CYS B 2 26.806 -1.975 10.761 1.00 0.00 H new ATOM 0 HB2 CYS B 2 27.379 -4.339 11.181 1.00 0.00 H new ATOM 0 HB3 CYS B 2 26.335 -4.844 9.867 1.00 0.00 H new ATOM 0 HG CYS B 2 27.922 -3.950 7.831 1.00 0.00 H new ATOM 1478 N ASP B 3 26.232 -1.308 8.436 1.00 0.00 N ATOM 1479 CA ASP B 3 25.802 -0.789 7.140 1.00 0.00 C ATOM 1480 C ASP B 3 24.388 -0.224 7.222 1.00 0.00 C ATOM 1481 O ASP B 3 23.511 -0.807 7.856 1.00 0.00 O ATOM 1482 CB ASP B 3 25.862 -1.891 6.079 1.00 0.00 C ATOM 1483 CG ASP B 3 27.260 -2.454 5.908 1.00 0.00 C ATOM 1484 OD1 ASP B 3 28.174 -1.679 5.559 1.00 0.00 O ATOM 1485 OD2 ASP B 3 27.439 -3.671 6.124 1.00 0.00 O ATOM 0 H ASP B 3 27.037 -0.826 8.837 1.00 0.00 H new ATOM 0 HA ASP B 3 26.480 0.016 6.857 1.00 0.00 H new ATOM 0 HB2 ASP B 3 25.181 -2.696 6.356 1.00 0.00 H new ATOM 0 HB3 ASP B 3 25.514 -1.493 5.126 1.00 0.00 H new ATOM 1490 N ARG B 4 24.175 0.919 6.575 1.00 0.00 N ATOM 1491 CA ARG B 4 22.866 1.562 6.577 1.00 0.00 C ATOM 1492 C ARG B 4 22.851 2.747 5.620 1.00 0.00 C ATOM 1493 O ARG B 4 23.667 3.663 5.730 1.00 0.00 O ATOM 1494 CB ARG B 4 22.510 2.018 7.998 1.00 0.00 C ATOM 1495 CG ARG B 4 21.076 2.513 8.169 1.00 0.00 C ATOM 1496 CD ARG B 4 20.846 3.868 7.515 1.00 0.00 C ATOM 1497 NE ARG B 4 21.800 4.874 7.975 1.00 0.00 N ATOM 1498 CZ ARG B 4 21.819 6.133 7.543 1.00 0.00 C ATOM 1499 NH1 ARG B 4 20.939 6.543 6.639 1.00 0.00 N ATOM 1500 NH2 ARG B 4 22.720 6.982 8.017 1.00 0.00 N ATOM 0 H ARG B 4 24.890 1.417 6.045 1.00 0.00 H new ATOM 0 HA ARG B 4 22.121 0.841 6.240 1.00 0.00 H new ATOM 0 HB2 ARG B 4 22.677 1.188 8.684 1.00 0.00 H new ATOM 0 HB3 ARG B 4 23.193 2.816 8.291 1.00 0.00 H new ATOM 0 HG2 ARG B 4 20.390 1.784 7.738 1.00 0.00 H new ATOM 0 HG3 ARG B 4 20.843 2.582 9.232 1.00 0.00 H new ATOM 0 HD2 ARG B 4 20.924 3.765 6.433 1.00 0.00 H new ATOM 0 HD3 ARG B 4 19.832 4.206 7.731 1.00 0.00 H new ATOM 0 HE ARG B 4 22.493 4.595 8.669 1.00 0.00 H new ATOM 0 HH11 ARG B 4 20.244 5.893 6.272 1.00 0.00 H new ATOM 0 HH12 ARG B 4 20.957 7.509 6.311 1.00 0.00 H new ATOM 0 HH21 ARG B 4 23.398 6.670 8.712 1.00 0.00 H new ATOM 0 HH22 ARG B 4 22.735 7.947 7.686 1.00 0.00 H new ATOM 1514 N LYS B 5 21.907 2.722 4.685 1.00 0.00 N ATOM 1515 CA LYS B 5 21.760 3.788 3.707 1.00 0.00 C ATOM 1516 C LYS B 5 20.287 4.198 3.614 1.00 0.00 C ATOM 1517 O LYS B 5 19.688 4.587 4.617 1.00 0.00 O ATOM 1518 CB LYS B 5 22.297 3.347 2.336 1.00 0.00 C ATOM 1519 CG LYS B 5 23.754 2.907 2.348 1.00 0.00 C ATOM 1520 CD LYS B 5 23.906 1.462 2.804 1.00 0.00 C ATOM 1521 CE LYS B 5 25.364 1.034 2.813 1.00 0.00 C ATOM 1522 NZ LYS B 5 26.186 1.872 3.731 1.00 0.00 N ATOM 0 H LYS B 5 21.228 1.967 4.586 1.00 0.00 H new ATOM 0 HA LYS B 5 22.345 4.650 4.028 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.684 2.525 1.966 1.00 0.00 H new ATOM 0 HB3 LYS B 5 22.184 4.171 1.632 1.00 0.00 H new ATOM 0 HG2 LYS B 5 24.175 3.019 1.349 1.00 0.00 H new ATOM 0 HG3 LYS B 5 24.325 3.559 3.010 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.486 1.348 3.803 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.337 0.808 2.143 1.00 0.00 H new ATOM 0 HE2 LYS B 5 25.433 -0.011 3.116 1.00 0.00 H new ATOM 0 HE3 LYS B 5 25.768 1.100 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 26.856 1.267 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 26.713 2.578 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.564 2.357 4.409 1.00 0.00 H new ATOM 1536 N ALA B 6 19.693 4.099 2.424 1.00 0.00 N ATOM 1537 CA ALA B 6 18.289 4.451 2.242 1.00 0.00 C ATOM 1538 C ALA B 6 18.062 5.949 2.390 1.00 0.00 C ATOM 1539 O ALA B 6 18.623 6.589 3.277 1.00 0.00 O ATOM 1540 CB ALA B 6 17.431 3.694 3.241 1.00 0.00 C ATOM 0 H ALA B 6 20.162 3.779 1.577 1.00 0.00 H new ATOM 0 HA ALA B 6 18.003 4.169 1.229 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.384 3.962 3.099 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.555 2.622 3.088 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.737 3.954 4.254 1.00 0.00 H new ATOM 1546 N VAL B 7 17.228 6.498 1.513 1.00 0.00 N ATOM 1547 CA VAL B 7 16.918 7.912 1.543 1.00 0.00 C ATOM 1548 C VAL B 7 15.504 8.166 2.048 1.00 0.00 C ATOM 1549 O VAL B 7 14.558 7.484 1.656 1.00 0.00 O ATOM 1550 CB VAL B 7 17.063 8.540 0.158 1.00 0.00 C ATOM 1551 CG1 VAL B 7 18.517 8.535 -0.289 1.00 0.00 C ATOM 1552 CG2 VAL B 7 16.182 7.821 -0.853 1.00 0.00 C ATOM 0 H VAL B 7 16.756 5.978 0.773 1.00 0.00 H new ATOM 0 HA VAL B 7 17.631 8.371 2.228 1.00 0.00 H new ATOM 0 HB VAL B 7 16.733 9.577 0.218 1.00 0.00 H new ATOM 0 HG11 VAL B 7 18.595 8.987 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL B 7 19.117 9.106 0.419 1.00 0.00 H new ATOM 0 HG13 VAL B 7 18.882 7.509 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.300 8.284 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL B 7 16.474 6.772 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL B 7 15.140 7.891 -0.542 1.00 0.00 H new ATOM 1562 N ILE B 8 15.374 9.165 2.909 1.00 0.00 N ATOM 1563 CA ILE B 8 14.079 9.533 3.474 1.00 0.00 C ATOM 1564 C ILE B 8 13.374 10.568 2.602 1.00 0.00 C ATOM 1565 O ILE B 8 14.015 11.426 1.996 1.00 0.00 O ATOM 1566 CB ILE B 8 14.220 10.078 4.915 1.00 0.00 C ATOM 1567 CG1 ILE B 8 14.656 8.963 5.871 1.00 0.00 C ATOM 1568 CG2 ILE B 8 12.910 10.693 5.392 1.00 0.00 C ATOM 1569 CD1 ILE B 8 15.994 8.349 5.530 1.00 0.00 C ATOM 0 H ILE B 8 16.152 9.739 3.234 1.00 0.00 H new ATOM 0 HA ILE B 8 13.477 8.625 3.505 1.00 0.00 H new ATOM 0 HB ILE B 8 14.985 10.855 4.909 1.00 0.00 H new ATOM 0 HG12 ILE B 8 14.699 9.363 6.884 1.00 0.00 H new ATOM 0 HG13 ILE B 8 13.898 8.180 5.870 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.033 11.069 6.407 1.00 0.00 H new ATOM 0 HG22 ILE B 8 12.632 11.515 4.732 1.00 0.00 H new ATOM 0 HG23 ILE B 8 12.126 9.936 5.378 1.00 0.00 H new ATOM 0 HD11 ILE B 8 16.231 7.569 6.253 1.00 0.00 H new ATOM 0 HD12 ILE B 8 15.952 7.917 4.530 1.00 0.00 H new ATOM 0 HD13 ILE B 8 16.766 9.118 5.560 1.00 0.00 H new ATOM 1581 N LYS B 9 12.049 10.481 2.550 1.00 0.00 N ATOM 1582 CA LYS B 9 11.251 11.408 1.758 1.00 0.00 C ATOM 1583 C LYS B 9 10.035 11.889 2.542 1.00 0.00 C ATOM 1584 O LYS B 9 9.714 13.079 2.540 1.00 0.00 O ATOM 1585 CB LYS B 9 10.807 10.750 0.450 1.00 0.00 C ATOM 1586 CG LYS B 9 11.963 10.328 -0.440 1.00 0.00 C ATOM 1587 CD LYS B 9 11.474 9.692 -1.731 1.00 0.00 C ATOM 1588 CE LYS B 9 10.623 10.658 -2.542 1.00 0.00 C ATOM 1589 NZ LYS B 9 11.374 11.892 -2.904 1.00 0.00 N ATOM 0 H LYS B 9 11.505 9.776 3.048 1.00 0.00 H new ATOM 0 HA LYS B 9 11.873 12.272 1.525 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.199 9.875 0.681 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.171 11.444 -0.099 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.579 11.196 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.597 9.622 0.097 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.329 9.371 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS B 9 10.893 8.799 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.278 10.163 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.735 10.928 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.839 12.427 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.505 12.480 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.303 11.632 -3.291 1.00 0.00 H new ATOM 1603 N ASN B 10 9.361 10.962 3.219 1.00 0.00 N ATOM 1604 CA ASN B 10 8.182 11.305 4.010 1.00 0.00 C ATOM 1605 C ASN B 10 8.450 11.059 5.493 1.00 0.00 C ATOM 1606 O ASN B 10 7.682 10.377 6.172 1.00 0.00 O ATOM 1607 CB ASN B 10 6.969 10.492 3.552 1.00 0.00 C ATOM 1608 CG ASN B 10 5.668 11.008 4.138 1.00 0.00 C ATOM 1609 OD1 ASN B 10 4.751 11.418 3.270 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 5.489 11.038 5.355 1.00 0.00 N flip ATOM 0 H ASN B 10 9.609 9.973 3.236 1.00 0.00 H new ATOM 0 HA ASN B 10 7.965 12.363 3.861 1.00 0.00 H new ATOM 0 HB2 ASN B 10 6.909 10.517 2.464 1.00 0.00 H new ATOM 0 HB3 ASN B 10 7.105 9.449 3.840 1.00 0.00 H new ATOM 0 HD21 ASN B 10 6.221 10.713 5.986 1.00 0.00 H new ATOM 0 HD22 ASN B 10 4.608 11.388 5.732 1.00 0.00 H new ATOM 1617 N ALA B 11 9.552 11.615 5.987 1.00 0.00 N ATOM 1618 CA ALA B 11 9.930 11.453 7.386 1.00 0.00 C ATOM 1619 C ALA B 11 8.804 11.893 8.317 1.00 0.00 C ATOM 1620 O ALA B 11 8.163 12.921 8.096 1.00 0.00 O ATOM 1621 CB ALA B 11 11.201 12.236 7.683 1.00 0.00 C ATOM 0 H ALA B 11 10.199 12.182 5.439 1.00 0.00 H new ATOM 0 HA ALA B 11 10.118 10.394 7.565 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.472 12.106 8.731 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.010 11.870 7.051 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.033 13.294 7.480 1.00 0.00 H new ATOM 1627 N ASP B 12 8.567 11.102 9.358 1.00 0.00 N ATOM 1628 CA ASP B 12 7.517 11.400 10.326 1.00 0.00 C ATOM 1629 C ASP B 12 7.508 10.358 11.441 1.00 0.00 C ATOM 1630 O ASP B 12 6.474 9.761 11.742 1.00 0.00 O ATOM 1631 CB ASP B 12 6.152 11.441 9.633 1.00 0.00 C ATOM 1632 CG ASP B 12 5.023 11.777 10.590 1.00 0.00 C ATOM 1633 OD1 ASP B 12 5.301 11.978 11.791 1.00 0.00 O ATOM 1634 OD2 ASP B 12 3.861 11.839 10.137 1.00 0.00 O ATOM 0 H ASP B 12 9.089 10.248 9.553 1.00 0.00 H new ATOM 0 HA ASP B 12 7.719 12.378 10.764 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.177 12.180 8.832 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.955 10.475 9.169 1.00 0.00 H new ATOM 1639 N MET B 13 8.672 10.139 12.045 1.00 0.00 N ATOM 1640 CA MET B 13 8.804 9.162 13.120 1.00 0.00 C ATOM 1641 C MET B 13 10.140 9.318 13.843 1.00 0.00 C ATOM 1642 O MET B 13 11.141 9.711 13.245 1.00 0.00 O ATOM 1643 CB MET B 13 8.666 7.743 12.563 1.00 0.00 C ATOM 1644 CG MET B 13 8.867 6.657 13.607 1.00 0.00 C ATOM 1645 SD MET B 13 8.677 4.995 12.935 1.00 0.00 S ATOM 1646 CE MET B 13 6.945 5.007 12.476 1.00 0.00 C ATOM 0 H MET B 13 9.537 10.625 11.808 1.00 0.00 H new ATOM 0 HA MET B 13 8.006 9.340 13.841 1.00 0.00 H new ATOM 0 HB2 MET B 13 7.677 7.630 12.120 1.00 0.00 H new ATOM 0 HB3 MET B 13 9.392 7.604 11.762 1.00 0.00 H new ATOM 0 HG2 MET B 13 9.862 6.757 14.041 1.00 0.00 H new ATOM 0 HG3 MET B 13 8.151 6.801 14.416 1.00 0.00 H new ATOM 0 HE1 MET B 13 6.591 3.982 12.366 1.00 0.00 H new ATOM 0 HE2 MET B 13 6.367 5.510 13.251 1.00 0.00 H new ATOM 0 HE3 MET B 13 6.823 5.536 11.531 1.00 0.00 H new ATOM 1656 N SER B 14 10.138 9.014 15.141 1.00 0.00 N ATOM 1657 CA SER B 14 11.338 9.120 15.973 1.00 0.00 C ATOM 1658 C SER B 14 12.579 8.586 15.256 1.00 0.00 C ATOM 1659 O SER B 14 12.503 7.633 14.480 1.00 0.00 O ATOM 1660 CB SER B 14 11.136 8.364 17.287 1.00 0.00 C ATOM 1661 OG SER B 14 10.042 8.893 18.016 1.00 0.00 O ATOM 0 H SER B 14 9.311 8.690 15.643 1.00 0.00 H new ATOM 0 HA SER B 14 11.500 10.178 16.179 1.00 0.00 H new ATOM 0 HB2 SER B 14 10.963 7.308 17.080 1.00 0.00 H new ATOM 0 HB3 SER B 14 12.042 8.426 17.889 1.00 0.00 H new ATOM 0 HG SER B 14 9.932 8.392 18.851 1.00 0.00 H new ATOM 1667 N GLU B 15 13.720 9.217 15.523 1.00 0.00 N ATOM 1668 CA GLU B 15 14.989 8.830 14.913 1.00 0.00 C ATOM 1669 C GLU B 15 15.304 7.360 15.153 1.00 0.00 C ATOM 1670 O GLU B 15 15.723 6.648 14.240 1.00 0.00 O ATOM 1671 CB GLU B 15 16.121 9.703 15.455 1.00 0.00 C ATOM 1672 CG GLU B 15 16.300 9.601 16.962 1.00 0.00 C ATOM 1673 CD GLU B 15 17.417 10.486 17.480 1.00 0.00 C ATOM 1674 OE1 GLU B 15 18.053 11.183 16.661 1.00 0.00 O ATOM 1675 OE2 GLU B 15 17.657 10.483 18.706 1.00 0.00 O ATOM 0 H GLU B 15 13.791 10.007 16.165 1.00 0.00 H new ATOM 0 HA GLU B 15 14.898 8.980 13.837 1.00 0.00 H new ATOM 0 HB2 GLU B 15 17.053 9.419 14.967 1.00 0.00 H new ATOM 0 HB3 GLU B 15 15.926 10.742 15.190 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.367 9.875 17.454 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.509 8.565 17.230 1.00 0.00 H new ATOM 1682 N GLU B 16 15.111 6.910 16.382 1.00 0.00 N ATOM 1683 CA GLU B 16 15.384 5.523 16.730 1.00 0.00 C ATOM 1684 C GLU B 16 14.432 4.584 16.003 1.00 0.00 C ATOM 1685 O GLU B 16 14.849 3.563 15.455 1.00 0.00 O ATOM 1686 CB GLU B 16 15.276 5.320 18.242 1.00 0.00 C ATOM 1687 CG GLU B 16 13.905 5.658 18.806 1.00 0.00 C ATOM 1688 CD GLU B 16 13.825 5.459 20.309 1.00 0.00 C ATOM 1689 OE1 GLU B 16 14.843 5.055 20.910 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.745 5.708 20.882 1.00 0.00 O ATOM 0 H GLU B 16 14.768 7.482 17.154 1.00 0.00 H new ATOM 0 HA GLU B 16 16.402 5.289 16.417 1.00 0.00 H new ATOM 0 HB2 GLU B 16 15.511 4.282 18.478 1.00 0.00 H new ATOM 0 HB3 GLU B 16 16.025 5.937 18.737 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.664 6.694 18.567 1.00 0.00 H new ATOM 0 HG3 GLU B 16 13.153 5.036 18.321 1.00 0.00 H new ATOM 1697 N MET B 17 13.151 4.932 15.999 1.00 0.00 N ATOM 1698 CA MET B 17 12.145 4.112 15.335 1.00 0.00 C ATOM 1699 C MET B 17 12.414 4.022 13.837 1.00 0.00 C ATOM 1700 O MET B 17 12.428 2.933 13.266 1.00 0.00 O ATOM 1701 CB MET B 17 10.748 4.677 15.593 1.00 0.00 C ATOM 1702 CG MET B 17 10.353 4.676 17.060 1.00 0.00 C ATOM 1703 SD MET B 17 8.703 5.349 17.336 1.00 0.00 S ATOM 1704 CE MET B 17 7.709 4.212 16.373 1.00 0.00 C ATOM 0 H MET B 17 12.785 5.773 16.446 1.00 0.00 H new ATOM 0 HA MET B 17 12.200 3.105 15.748 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.702 5.698 15.214 1.00 0.00 H new ATOM 0 HB3 MET B 17 10.020 4.094 15.029 1.00 0.00 H new ATOM 0 HG2 MET B 17 10.394 3.656 17.442 1.00 0.00 H new ATOM 0 HG3 MET B 17 11.078 5.259 17.628 1.00 0.00 H new ATOM 0 HE1 MET B 17 7.392 4.698 15.450 1.00 0.00 H new ATOM 0 HE2 MET B 17 8.298 3.327 16.134 1.00 0.00 H new ATOM 0 HE3 MET B 17 6.831 3.919 16.949 1.00 0.00 H new ATOM 1714 N GLN B 18 12.634 5.170 13.206 1.00 0.00 N ATOM 1715 CA GLN B 18 12.910 5.207 11.778 1.00 0.00 C ATOM 1716 C GLN B 18 14.229 4.509 11.468 1.00 0.00 C ATOM 1717 O GLN B 18 14.351 3.809 10.463 1.00 0.00 O ATOM 1718 CB GLN B 18 12.941 6.652 11.290 1.00 0.00 C ATOM 1719 CG GLN B 18 14.072 7.474 11.884 1.00 0.00 C ATOM 1720 CD GLN B 18 13.935 8.967 11.623 1.00 0.00 C ATOM 1721 OE1 GLN B 18 12.745 9.409 11.228 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 14.891 9.723 11.801 1.00 0.00 N flip ATOM 0 H GLN B 18 12.626 6.083 13.660 1.00 0.00 H new ATOM 0 HA GLN B 18 12.115 4.677 11.254 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.032 6.657 10.204 1.00 0.00 H new ATOM 0 HB3 GLN B 18 11.991 7.128 11.533 1.00 0.00 H new ATOM 0 HG2 GLN B 18 14.110 7.303 12.960 1.00 0.00 H new ATOM 0 HG3 GLN B 18 15.019 7.126 11.472 1.00 0.00 H new ATOM 0 HE21 GLN B 18 15.789 9.347 12.105 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.784 10.725 11.645 1.00 0.00 H new ATOM 1731 N GLN B 19 15.208 4.695 12.345 1.00 0.00 N ATOM 1732 CA GLN B 19 16.514 4.072 12.172 1.00 0.00 C ATOM 1733 C GLN B 19 16.427 2.559 12.345 1.00 0.00 C ATOM 1734 O GLN B 19 17.060 1.804 11.607 1.00 0.00 O ATOM 1735 CB GLN B 19 17.524 4.669 13.153 1.00 0.00 C ATOM 1736 CG GLN B 19 18.084 6.009 12.705 1.00 0.00 C ATOM 1737 CD GLN B 19 19.120 6.559 13.666 1.00 0.00 C ATOM 1738 OE1 GLN B 19 18.884 7.768 14.159 1.00 0.00 O flip ATOM 1739 NE2 GLN B 19 20.122 5.906 13.957 1.00 0.00 N flip ATOM 0 H GLN B 19 15.122 5.271 13.182 1.00 0.00 H new ATOM 0 HA GLN B 19 16.854 4.274 11.156 1.00 0.00 H new ATOM 0 HB2 GLN B 19 17.046 4.790 14.125 1.00 0.00 H new ATOM 0 HB3 GLN B 19 18.347 3.967 13.288 1.00 0.00 H new ATOM 0 HG2 GLN B 19 18.532 5.899 11.717 1.00 0.00 H new ATOM 0 HG3 GLN B 19 17.268 6.725 12.607 1.00 0.00 H new ATOM 0 HE21 GLN B 19 20.262 4.980 13.553 1.00 0.00 H new ATOM 0 HE22 GLN B 19 20.812 6.291 14.602 1.00 0.00 H new ATOM 1748 N ASP B 20 15.634 2.120 13.316 1.00 0.00 N ATOM 1749 CA ASP B 20 15.461 0.693 13.574 1.00 0.00 C ATOM 1750 C ASP B 20 14.734 0.023 12.418 1.00 0.00 C ATOM 1751 O ASP B 20 15.046 -1.108 12.053 1.00 0.00 O ATOM 1752 CB ASP B 20 14.699 0.466 14.880 1.00 0.00 C ATOM 1753 CG ASP B 20 15.449 0.993 16.090 1.00 0.00 C ATOM 1754 OD1 ASP B 20 16.562 1.533 15.911 1.00 0.00 O ATOM 1755 OD2 ASP B 20 14.924 0.862 17.216 1.00 0.00 O ATOM 0 H ASP B 20 15.101 2.729 13.937 1.00 0.00 H new ATOM 0 HA ASP B 20 16.450 0.245 13.669 1.00 0.00 H new ATOM 0 HB2 ASP B 20 13.726 0.954 14.819 1.00 0.00 H new ATOM 0 HB3 ASP B 20 14.513 -0.600 15.008 1.00 0.00 H new ATOM 1760 N SER B 21 13.768 0.725 11.842 1.00 0.00 N ATOM 1761 CA SER B 21 13.016 0.187 10.718 1.00 0.00 C ATOM 1762 C SER B 21 13.925 0.039 9.505 1.00 0.00 C ATOM 1763 O SER B 21 13.880 -0.966 8.798 1.00 0.00 O ATOM 1764 CB SER B 21 11.829 1.091 10.383 1.00 0.00 C ATOM 1765 OG SER B 21 11.094 0.583 9.282 1.00 0.00 O ATOM 0 H SER B 21 13.488 1.662 12.132 1.00 0.00 H new ATOM 0 HA SER B 21 12.632 -0.795 10.995 1.00 0.00 H new ATOM 0 HB2 SER B 21 11.176 1.176 11.252 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.186 2.095 10.153 1.00 0.00 H new ATOM 0 HG SER B 21 10.557 1.302 8.888 1.00 0.00 H new ATOM 1771 N VAL B 22 14.759 1.049 9.282 1.00 0.00 N ATOM 1772 CA VAL B 22 15.694 1.035 8.165 1.00 0.00 C ATOM 1773 C VAL B 22 16.692 -0.105 8.320 1.00 0.00 C ATOM 1774 O VAL B 22 16.904 -0.893 7.398 1.00 0.00 O ATOM 1775 CB VAL B 22 16.456 2.370 8.046 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.387 2.357 6.840 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.483 3.538 7.966 1.00 0.00 C ATOM 0 H VAL B 22 14.806 1.888 9.861 1.00 0.00 H new ATOM 0 HA VAL B 22 15.111 0.889 7.256 1.00 0.00 H new ATOM 0 HB VAL B 22 17.066 2.495 8.941 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.914 3.309 6.777 1.00 0.00 H new ATOM 0 HG12 VAL B 22 18.110 1.549 6.947 1.00 0.00 H new ATOM 0 HG13 VAL B 22 16.804 2.204 5.932 1.00 0.00 H new ATOM 0 HG21 VAL B 22 16.040 4.471 7.883 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.842 3.419 7.092 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.868 3.562 8.866 1.00 0.00 H new ATOM 1787 N GLU B 23 17.294 -0.193 9.500 1.00 0.00 N ATOM 1788 CA GLU B 23 18.257 -1.247 9.788 1.00 0.00 C ATOM 1789 C GLU B 23 17.561 -2.599 9.776 1.00 0.00 C ATOM 1790 O GLU B 23 18.075 -3.577 9.231 1.00 0.00 O ATOM 1791 CB GLU B 23 18.923 -1.012 11.145 1.00 0.00 C ATOM 1792 CG GLU B 23 19.778 0.244 11.197 1.00 0.00 C ATOM 1793 CD GLU B 23 20.996 0.159 10.296 1.00 0.00 C ATOM 1794 OE1 GLU B 23 20.820 -0.029 9.076 1.00 0.00 O ATOM 1795 OE2 GLU B 23 22.125 0.281 10.815 1.00 0.00 O ATOM 0 H GLU B 23 17.132 0.453 10.272 1.00 0.00 H new ATOM 0 HA GLU B 23 19.029 -1.234 9.019 1.00 0.00 H new ATOM 0 HB2 GLU B 23 18.151 -0.948 11.912 1.00 0.00 H new ATOM 0 HB3 GLU B 23 19.544 -1.874 11.389 1.00 0.00 H new ATOM 0 HG2 GLU B 23 19.174 1.103 10.905 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.101 0.417 12.224 1.00 0.00 H new ATOM 1802 N CYS B 24 16.379 -2.638 10.378 1.00 0.00 N ATOM 1803 CA CYS B 24 15.588 -3.859 10.440 1.00 0.00 C ATOM 1804 C CYS B 24 15.215 -4.331 9.036 1.00 0.00 C ATOM 1805 O CYS B 24 15.143 -5.533 8.771 1.00 0.00 O ATOM 1806 CB CYS B 24 14.326 -3.626 11.272 1.00 0.00 C ATOM 1807 SG CYS B 24 13.291 -5.092 11.473 1.00 0.00 S ATOM 0 H CYS B 24 15.946 -1.834 10.832 1.00 0.00 H new ATOM 0 HA CYS B 24 16.187 -4.635 10.916 1.00 0.00 H new ATOM 0 HB2 CYS B 24 14.616 -3.262 12.258 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.735 -2.839 10.803 1.00 0.00 H new ATOM 0 HG CYS B 24 13.089 -5.310 12.738 1.00 0.00 H new ATOM 1813 N ALA B 25 14.990 -3.376 8.138 1.00 0.00 N ATOM 1814 CA ALA B 25 14.638 -3.692 6.764 1.00 0.00 C ATOM 1815 C ALA B 25 15.827 -4.308 6.054 1.00 0.00 C ATOM 1816 O ALA B 25 15.683 -5.242 5.263 1.00 0.00 O ATOM 1817 CB ALA B 25 14.169 -2.441 6.034 1.00 0.00 C ATOM 0 H ALA B 25 15.046 -2.378 8.341 1.00 0.00 H new ATOM 0 HA ALA B 25 13.820 -4.412 6.767 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.909 -2.695 5.006 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.294 -2.032 6.539 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.968 -1.699 6.033 1.00 0.00 H new ATOM 1823 N THR B 26 17.008 -3.780 6.350 1.00 0.00 N ATOM 1824 CA THR B 26 18.230 -4.281 5.748 1.00 0.00 C ATOM 1825 C THR B 26 18.415 -5.754 6.083 1.00 0.00 C ATOM 1826 O THR B 26 18.721 -6.570 5.214 1.00 0.00 O ATOM 1827 CB THR B 26 19.437 -3.471 6.224 1.00 0.00 C ATOM 1828 OG1 THR B 26 19.289 -2.103 5.884 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.749 -3.947 5.636 1.00 0.00 C ATOM 0 H THR B 26 17.142 -3.007 7.002 1.00 0.00 H new ATOM 0 HA THR B 26 18.151 -4.174 4.666 1.00 0.00 H new ATOM 0 HB THR B 26 19.468 -3.611 7.305 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.536 -1.722 6.382 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.563 -3.329 6.015 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.919 -4.986 5.919 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.710 -3.869 4.549 1.00 0.00 H new ATOM 1837 N GLN B 27 18.208 -6.086 7.352 1.00 0.00 N ATOM 1838 CA GLN B 27 18.327 -7.459 7.810 1.00 0.00 C ATOM 1839 C GLN B 27 17.320 -8.336 7.080 1.00 0.00 C ATOM 1840 O GLN B 27 17.617 -9.473 6.713 1.00 0.00 O ATOM 1841 CB GLN B 27 18.093 -7.534 9.318 1.00 0.00 C ATOM 1842 CG GLN B 27 18.219 -8.937 9.879 1.00 0.00 C ATOM 1843 CD GLN B 27 17.982 -8.993 11.375 1.00 0.00 C ATOM 1844 OE1 GLN B 27 18.692 -8.353 12.151 1.00 0.00 O ATOM 1845 NE2 GLN B 27 16.980 -9.760 11.788 1.00 0.00 N ATOM 0 H GLN B 27 17.956 -5.419 8.081 1.00 0.00 H new ATOM 0 HA GLN B 27 19.333 -7.818 7.595 1.00 0.00 H new ATOM 0 HB2 GLN B 27 18.808 -6.884 9.822 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.099 -7.149 9.543 1.00 0.00 H new ATOM 0 HG2 GLN B 27 17.504 -9.590 9.378 1.00 0.00 H new ATOM 0 HG3 GLN B 27 19.214 -9.324 9.658 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.417 -10.273 11.109 1.00 0.00 H new ATOM 0 HE22 GLN B 27 16.773 -9.836 12.784 1.00 0.00 H new ATOM 1854 N ALA B 28 16.125 -7.791 6.872 1.00 0.00 N ATOM 1855 CA ALA B 28 15.063 -8.509 6.182 1.00 0.00 C ATOM 1856 C ALA B 28 15.518 -8.978 4.805 1.00 0.00 C ATOM 1857 O ALA B 28 15.291 -10.126 4.427 1.00 0.00 O ATOM 1858 CB ALA B 28 13.830 -7.628 6.054 1.00 0.00 C ATOM 0 H ALA B 28 15.869 -6.851 7.173 1.00 0.00 H new ATOM 0 HA ALA B 28 14.813 -9.390 6.774 1.00 0.00 H new ATOM 0 HB1 ALA B 28 13.043 -8.176 5.536 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.481 -7.344 7.047 1.00 0.00 H new ATOM 0 HB3 ALA B 28 14.081 -6.731 5.487 1.00 0.00 H new ATOM 1864 N LEU B 29 16.162 -8.088 4.061 1.00 0.00 N ATOM 1865 CA LEU B 29 16.646 -8.424 2.728 1.00 0.00 C ATOM 1866 C LEU B 29 17.710 -9.512 2.791 1.00 0.00 C ATOM 1867 O LEU B 29 17.700 -10.454 2.001 1.00 0.00 O ATOM 1868 CB LEU B 29 17.203 -7.186 2.034 1.00 0.00 C ATOM 1869 CG LEU B 29 16.141 -6.202 1.558 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.771 -4.869 1.184 1.00 0.00 C ATOM 1871 CD2 LEU B 29 15.378 -6.780 0.377 1.00 0.00 C ATOM 0 H LEU B 29 16.361 -7.132 4.356 1.00 0.00 H new ATOM 0 HA LEU B 29 15.802 -8.802 2.151 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.877 -6.672 2.720 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.799 -7.501 1.178 1.00 0.00 H new ATOM 0 HG LEU B 29 15.440 -6.030 2.375 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.995 -4.182 0.847 1.00 0.00 H new ATOM 0 HD12 LEU B 29 17.276 -4.448 2.054 1.00 0.00 H new ATOM 0 HD13 LEU B 29 17.494 -5.020 0.383 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.623 -6.067 0.047 1.00 0.00 H new ATOM 0 HD22 LEU B 29 16.070 -6.979 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.893 -7.709 0.677 1.00 0.00 H new ATOM 1883 N GLU B 30 18.626 -9.372 3.737 1.00 0.00 N ATOM 1884 CA GLU B 30 19.702 -10.338 3.909 1.00 0.00 C ATOM 1885 C GLU B 30 19.158 -11.698 4.340 1.00 0.00 C ATOM 1886 O GLU B 30 19.712 -12.739 3.981 1.00 0.00 O ATOM 1887 CB GLU B 30 20.710 -9.830 4.940 1.00 0.00 C ATOM 1888 CG GLU B 30 21.361 -8.510 4.556 1.00 0.00 C ATOM 1889 CD GLU B 30 22.357 -8.029 5.591 1.00 0.00 C ATOM 1890 OE1 GLU B 30 23.336 -8.757 5.858 1.00 0.00 O ATOM 1891 OE2 GLU B 30 22.158 -6.922 6.137 1.00 0.00 O ATOM 0 H GLU B 30 18.646 -8.597 4.399 1.00 0.00 H new ATOM 0 HA GLU B 30 20.202 -10.458 2.948 1.00 0.00 H new ATOM 0 HB2 GLU B 30 20.207 -9.712 5.900 1.00 0.00 H new ATOM 0 HB3 GLU B 30 21.487 -10.582 5.078 1.00 0.00 H new ATOM 0 HG2 GLU B 30 21.866 -8.624 3.597 1.00 0.00 H new ATOM 0 HG3 GLU B 30 20.588 -7.753 4.422 1.00 0.00 H new ATOM 1898 N LYS B 31 18.083 -11.685 5.122 1.00 0.00 N ATOM 1899 CA LYS B 31 17.483 -12.918 5.612 1.00 0.00 C ATOM 1900 C LYS B 31 16.477 -13.493 4.623 1.00 0.00 C ATOM 1901 O LYS B 31 16.415 -14.707 4.428 1.00 0.00 O ATOM 1902 CB LYS B 31 16.804 -12.676 6.963 1.00 0.00 C ATOM 1903 CG LYS B 31 17.767 -12.254 8.060 1.00 0.00 C ATOM 1904 CD LYS B 31 17.044 -12.019 9.377 1.00 0.00 C ATOM 1905 CE LYS B 31 16.341 -13.277 9.862 1.00 0.00 C ATOM 1906 NZ LYS B 31 15.642 -13.059 11.158 1.00 0.00 N ATOM 0 H LYS B 31 17.611 -10.834 5.429 1.00 0.00 H new ATOM 0 HA LYS B 31 18.286 -13.646 5.732 1.00 0.00 H new ATOM 0 HB2 LYS B 31 16.041 -11.906 6.844 1.00 0.00 H new ATOM 0 HB3 LYS B 31 16.292 -13.587 7.271 1.00 0.00 H new ATOM 0 HG2 LYS B 31 18.528 -13.023 8.194 1.00 0.00 H new ATOM 0 HG3 LYS B 31 18.285 -11.343 7.760 1.00 0.00 H new ATOM 0 HD2 LYS B 31 17.758 -11.687 10.131 1.00 0.00 H new ATOM 0 HD3 LYS B 31 16.315 -11.218 9.255 1.00 0.00 H new ATOM 0 HE2 LYS B 31 15.621 -13.602 9.111 1.00 0.00 H new ATOM 0 HE3 LYS B 31 17.070 -14.080 9.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 15.176 -13.940 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 16.333 -12.773 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 14.928 -12.311 11.046 1.00 0.00 H new ATOM 1920 N TYR B 32 15.678 -12.625 4.013 1.00 0.00 N ATOM 1921 CA TYR B 32 14.667 -13.074 3.062 1.00 0.00 C ATOM 1922 C TYR B 32 14.979 -12.613 1.640 1.00 0.00 C ATOM 1923 O TYR B 32 14.879 -13.392 0.692 1.00 0.00 O ATOM 1924 CB TYR B 32 13.284 -12.573 3.482 1.00 0.00 C ATOM 1925 CG TYR B 32 12.917 -12.932 4.905 1.00 0.00 C ATOM 1926 CD1 TYR B 32 13.613 -12.390 5.978 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.877 -13.813 5.178 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.283 -12.713 7.280 1.00 0.00 C ATOM 1929 CE2 TYR B 32 11.540 -14.141 6.477 1.00 0.00 C ATOM 1930 CZ TYR B 32 12.246 -13.588 7.525 1.00 0.00 C ATOM 1931 OH TYR B 32 11.915 -13.913 8.819 1.00 0.00 O ATOM 0 H TYR B 32 15.709 -11.616 4.158 1.00 0.00 H new ATOM 0 HA TYR B 32 14.675 -14.164 3.068 1.00 0.00 H new ATOM 0 HB2 TYR B 32 13.249 -11.489 3.369 1.00 0.00 H new ATOM 0 HB3 TYR B 32 12.536 -12.988 2.807 1.00 0.00 H new ATOM 0 HD1 TYR B 32 14.426 -11.704 5.791 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.323 -14.249 4.360 1.00 0.00 H new ATOM 0 HE1 TYR B 32 13.835 -12.282 8.102 1.00 0.00 H new ATOM 0 HE2 TYR B 32 10.728 -14.827 6.671 1.00 0.00 H new ATOM 0 HH TYR B 32 11.162 -14.540 8.816 1.00 0.00 H new ATOM 1941 N ASN B 33 15.349 -11.345 1.498 1.00 0.00 N ATOM 1942 CA ASN B 33 15.671 -10.780 0.189 1.00 0.00 C ATOM 1943 C ASN B 33 14.431 -10.727 -0.704 1.00 0.00 C ATOM 1944 O ASN B 33 14.485 -11.083 -1.880 1.00 0.00 O ATOM 1945 CB ASN B 33 16.773 -11.596 -0.493 1.00 0.00 C ATOM 1946 CG ASN B 33 17.202 -10.997 -1.820 1.00 0.00 C ATOM 1947 OD1 ASN B 33 17.667 -9.858 -1.876 1.00 0.00 O ATOM 1948 ND2 ASN B 33 17.046 -11.762 -2.893 1.00 0.00 N ATOM 0 H ASN B 33 15.434 -10.687 2.273 1.00 0.00 H new ATOM 0 HA ASN B 33 16.030 -9.762 0.343 1.00 0.00 H new ATOM 0 HB2 ASN B 33 17.636 -11.660 0.169 1.00 0.00 H new ATOM 0 HB3 ASN B 33 16.419 -12.614 -0.655 1.00 0.00 H new ATOM 0 HD21 ASN B 33 17.316 -11.412 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN B 33 16.656 -12.700 -2.798 1.00 0.00 H new ATOM 1955 N ILE B 34 13.317 -10.274 -0.136 1.00 0.00 N ATOM 1956 CA ILE B 34 12.067 -10.167 -0.879 1.00 0.00 C ATOM 1957 C ILE B 34 11.173 -9.089 -0.270 1.00 0.00 C ATOM 1958 O ILE B 34 10.867 -9.123 0.919 1.00 0.00 O ATOM 1959 CB ILE B 34 11.304 -11.509 -0.886 1.00 0.00 C ATOM 1960 CG1 ILE B 34 12.164 -12.608 -1.517 1.00 0.00 C ATOM 1961 CG2 ILE B 34 9.979 -11.371 -1.625 1.00 0.00 C ATOM 1962 CD1 ILE B 34 11.472 -13.953 -1.589 1.00 0.00 C ATOM 0 H ILE B 34 13.255 -9.975 0.837 1.00 0.00 H new ATOM 0 HA ILE B 34 12.319 -9.898 -1.905 1.00 0.00 H new ATOM 0 HB ILE B 34 11.089 -11.789 0.145 1.00 0.00 H new ATOM 0 HG12 ILE B 34 12.450 -12.301 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE B 34 13.084 -12.713 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE B 34 9.457 -12.328 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE B 34 9.364 -10.619 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE B 34 10.167 -11.067 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE B 34 12.140 -14.682 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE B 34 11.211 -14.282 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE B 34 10.566 -13.864 -2.189 1.00 0.00 H new ATOM 1974 N GLU B 35 10.761 -8.132 -1.099 1.00 0.00 N ATOM 1975 CA GLU B 35 9.911 -7.029 -0.650 1.00 0.00 C ATOM 1976 C GLU B 35 8.764 -7.516 0.233 1.00 0.00 C ATOM 1977 O GLU B 35 8.475 -6.920 1.271 1.00 0.00 O ATOM 1978 CB GLU B 35 9.352 -6.274 -1.858 1.00 0.00 C ATOM 1979 CG GLU B 35 8.535 -7.148 -2.797 1.00 0.00 C ATOM 1980 CD GLU B 35 8.013 -6.383 -3.996 1.00 0.00 C ATOM 1981 OE1 GLU B 35 8.836 -5.835 -4.758 1.00 0.00 O ATOM 1982 OE2 GLU B 35 6.777 -6.332 -4.175 1.00 0.00 O ATOM 0 H GLU B 35 11.003 -8.098 -2.089 1.00 0.00 H new ATOM 0 HA GLU B 35 10.529 -6.360 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU B 35 8.729 -5.452 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU B 35 10.179 -5.832 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU B 35 9.150 -7.980 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.695 -7.577 -2.250 1.00 0.00 H new ATOM 1989 N LYS B 36 8.111 -8.594 -0.185 1.00 0.00 N ATOM 1990 CA LYS B 36 6.993 -9.147 0.574 1.00 0.00 C ATOM 1991 C LYS B 36 7.427 -9.548 1.982 1.00 0.00 C ATOM 1992 O LYS B 36 6.877 -9.069 2.973 1.00 0.00 O ATOM 1993 CB LYS B 36 6.422 -10.368 -0.149 1.00 0.00 C ATOM 1994 CG LYS B 36 5.229 -10.995 0.557 1.00 0.00 C ATOM 1995 CD LYS B 36 4.866 -12.341 -0.049 1.00 0.00 C ATOM 1996 CE LYS B 36 5.984 -13.356 0.131 1.00 0.00 C ATOM 1997 NZ LYS B 36 5.618 -14.689 -0.422 1.00 0.00 N ATOM 0 H LYS B 36 8.334 -9.101 -1.041 1.00 0.00 H new ATOM 0 HA LYS B 36 6.227 -8.375 0.654 1.00 0.00 H new ATOM 0 HB2 LYS B 36 6.125 -10.076 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS B 36 7.207 -11.118 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS B 36 5.457 -11.121 1.615 1.00 0.00 H new ATOM 0 HG3 LYS B 36 4.373 -10.323 0.493 1.00 0.00 H new ATOM 0 HD2 LYS B 36 3.955 -12.716 0.417 1.00 0.00 H new ATOM 0 HD3 LYS B 36 4.654 -12.217 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS B 36 6.886 -12.994 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS B 36 6.218 -13.454 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 6.406 -15.352 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 4.772 -15.047 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 5.420 -14.600 -1.439 1.00 0.00 H new ATOM 2011 N ASP B 37 8.409 -10.438 2.057 1.00 0.00 N ATOM 2012 CA ASP B 37 8.916 -10.925 3.337 1.00 0.00 C ATOM 2013 C ASP B 37 9.353 -9.786 4.257 1.00 0.00 C ATOM 2014 O ASP B 37 9.079 -9.813 5.457 1.00 0.00 O ATOM 2015 CB ASP B 37 10.084 -11.886 3.111 1.00 0.00 C ATOM 2016 CG ASP B 37 9.660 -13.150 2.391 1.00 0.00 C ATOM 2017 OD1 ASP B 37 8.786 -13.870 2.919 1.00 0.00 O ATOM 2018 OD2 ASP B 37 10.202 -13.424 1.299 1.00 0.00 O ATOM 0 H ASP B 37 8.873 -10.840 1.243 1.00 0.00 H new ATOM 0 HA ASP B 37 8.097 -11.450 3.829 1.00 0.00 H new ATOM 0 HB2 ASP B 37 10.858 -11.383 2.531 1.00 0.00 H new ATOM 0 HB3 ASP B 37 10.526 -12.149 4.072 1.00 0.00 H new ATOM 2023 N ILE B 38 10.039 -8.792 3.700 1.00 0.00 N ATOM 2024 CA ILE B 38 10.515 -7.655 4.489 1.00 0.00 C ATOM 2025 C ILE B 38 9.403 -7.101 5.381 1.00 0.00 C ATOM 2026 O ILE B 38 9.554 -7.005 6.601 1.00 0.00 O ATOM 2027 CB ILE B 38 11.041 -6.521 3.577 1.00 0.00 C ATOM 2028 CG1 ILE B 38 12.194 -7.023 2.708 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.492 -5.323 4.402 1.00 0.00 C ATOM 2030 CD1 ILE B 38 12.694 -5.993 1.718 1.00 0.00 C ATOM 0 H ILE B 38 10.278 -8.749 2.709 1.00 0.00 H new ATOM 0 HA ILE B 38 11.331 -8.019 5.113 1.00 0.00 H new ATOM 0 HB ILE B 38 10.223 -6.205 2.929 1.00 0.00 H new ATOM 0 HG12 ILE B 38 13.019 -7.327 3.352 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.870 -7.911 2.165 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.857 -4.540 3.737 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.651 -4.943 4.982 1.00 0.00 H new ATOM 0 HG23 ILE B 38 12.291 -5.627 5.078 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.512 -6.416 1.135 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.882 -5.706 1.050 1.00 0.00 H new ATOM 0 HD13 ILE B 38 13.049 -5.114 2.256 1.00 0.00 H new ATOM 2042 N ALA B 39 8.292 -6.737 4.759 1.00 0.00 N ATOM 2043 CA ALA B 39 7.150 -6.187 5.476 1.00 0.00 C ATOM 2044 C ALA B 39 6.503 -7.218 6.397 1.00 0.00 C ATOM 2045 O ALA B 39 5.816 -6.860 7.350 1.00 0.00 O ATOM 2046 CB ALA B 39 6.125 -5.652 4.488 1.00 0.00 C ATOM 0 H ALA B 39 8.156 -6.813 3.751 1.00 0.00 H new ATOM 0 HA ALA B 39 7.514 -5.372 6.102 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.274 -5.242 5.032 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.579 -4.868 3.881 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.786 -6.461 3.841 1.00 0.00 H new ATOM 2052 N ALA B 40 6.704 -8.496 6.097 1.00 0.00 N ATOM 2053 CA ALA B 40 6.110 -9.563 6.895 1.00 0.00 C ATOM 2054 C ALA B 40 6.703 -9.635 8.299 1.00 0.00 C ATOM 2055 O ALA B 40 6.004 -9.426 9.293 1.00 0.00 O ATOM 2056 CB ALA B 40 6.280 -10.899 6.185 1.00 0.00 C ATOM 0 H ALA B 40 7.270 -8.818 5.312 1.00 0.00 H new ATOM 0 HA ALA B 40 5.049 -9.337 7.004 1.00 0.00 H new ATOM 0 HB1 ALA B 40 5.834 -11.690 6.787 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.787 -10.860 5.214 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.341 -11.104 6.045 1.00 0.00 H new ATOM 2062 N HIS B 41 7.989 -9.953 8.375 1.00 0.00 N ATOM 2063 CA HIS B 41 8.665 -10.082 9.659 1.00 0.00 C ATOM 2064 C HIS B 41 8.778 -8.734 10.370 1.00 0.00 C ATOM 2065 O HIS B 41 8.552 -8.638 11.576 1.00 0.00 O ATOM 2066 CB HIS B 41 10.049 -10.714 9.464 1.00 0.00 C ATOM 2067 CG HIS B 41 11.177 -9.730 9.401 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.656 -9.071 10.511 1.00 0.00 N ATOM 2069 CD2 HIS B 41 11.920 -9.296 8.357 1.00 0.00 C ATOM 2070 CE1 HIS B 41 12.646 -8.277 10.156 1.00 0.00 C ATOM 2071 NE2 HIS B 41 12.831 -8.394 8.855 1.00 0.00 N ATOM 0 H HIS B 41 8.584 -10.126 7.564 1.00 0.00 H new ATOM 0 HA HIS B 41 8.066 -10.735 10.294 1.00 0.00 H new ATOM 0 HB2 HIS B 41 10.236 -11.410 10.282 1.00 0.00 H new ATOM 0 HB3 HIS B 41 10.041 -11.299 8.544 1.00 0.00 H new ATOM 0 HD1 HIS B 41 11.300 -9.180 11.461 1.00 0.00 H new ATOM 0 HD2 HIS B 41 11.817 -9.601 7.326 1.00 0.00 H new ATOM 0 HE1 HIS B 41 13.211 -7.638 10.819 1.00 0.00 H new ATOM 2080 N ILE B 42 9.142 -7.697 9.622 1.00 0.00 N ATOM 2081 CA ILE B 42 9.292 -6.365 10.193 1.00 0.00 C ATOM 2082 C ILE B 42 7.982 -5.865 10.797 1.00 0.00 C ATOM 2083 O ILE B 42 7.969 -5.305 11.893 1.00 0.00 O ATOM 2084 CB ILE B 42 9.796 -5.355 9.142 1.00 0.00 C ATOM 2085 CG1 ILE B 42 11.144 -5.802 8.588 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.902 -3.959 9.740 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.662 -4.901 7.496 1.00 0.00 C ATOM 0 H ILE B 42 9.338 -7.754 8.623 1.00 0.00 H new ATOM 0 HA ILE B 42 10.035 -6.445 10.987 1.00 0.00 H new ATOM 0 HB ILE B 42 9.075 -5.319 8.325 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.871 -5.835 9.399 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.053 -6.817 8.201 1.00 0.00 H new ATOM 0 HG21 ILE B 42 10.259 -3.264 8.980 1.00 0.00 H new ATOM 0 HG22 ILE B 42 8.922 -3.639 10.092 1.00 0.00 H new ATOM 0 HG23 ILE B 42 10.601 -3.973 10.576 1.00 0.00 H new ATOM 0 HD11 ILE B 42 12.624 -5.273 7.144 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.953 -4.888 6.668 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.784 -3.890 7.885 1.00 0.00 H new ATOM 2099 N LYS B 43 6.881 -6.065 10.080 1.00 0.00 N ATOM 2100 CA LYS B 43 5.575 -5.626 10.558 1.00 0.00 C ATOM 2101 C LYS B 43 5.207 -6.326 11.860 1.00 0.00 C ATOM 2102 O LYS B 43 4.806 -5.678 12.827 1.00 0.00 O ATOM 2103 CB LYS B 43 4.504 -5.882 9.490 1.00 0.00 C ATOM 2104 CG LYS B 43 3.105 -5.405 9.867 1.00 0.00 C ATOM 2105 CD LYS B 43 2.415 -6.347 10.845 1.00 0.00 C ATOM 2106 CE LYS B 43 0.964 -5.951 11.067 1.00 0.00 C ATOM 2107 NZ LYS B 43 0.270 -6.882 11.999 1.00 0.00 N ATOM 0 H LYS B 43 6.867 -6.526 9.170 1.00 0.00 H new ATOM 0 HA LYS B 43 5.626 -4.555 10.754 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.805 -5.388 8.566 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.465 -6.951 9.282 1.00 0.00 H new ATOM 0 HG2 LYS B 43 3.170 -4.411 10.309 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.500 -5.314 8.965 1.00 0.00 H new ATOM 0 HD2 LYS B 43 2.461 -7.367 10.464 1.00 0.00 H new ATOM 0 HD3 LYS B 43 2.946 -6.338 11.797 1.00 0.00 H new ATOM 0 HE2 LYS B 43 0.921 -4.938 11.467 1.00 0.00 H new ATOM 0 HE3 LYS B 43 0.441 -5.938 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -0.756 -6.837 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 0.605 -7.853 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 0.475 -6.607 12.981 1.00 0.00 H new ATOM 2121 N LYS B 44 5.330 -7.650 11.884 1.00 0.00 N ATOM 2122 CA LYS B 44 4.990 -8.413 13.081 1.00 0.00 C ATOM 2123 C LYS B 44 5.923 -8.075 14.241 1.00 0.00 C ATOM 2124 O LYS B 44 5.482 -7.946 15.383 1.00 0.00 O ATOM 2125 CB LYS B 44 5.028 -9.919 12.801 1.00 0.00 C ATOM 2126 CG LYS B 44 6.424 -10.472 12.566 1.00 0.00 C ATOM 2127 CD LYS B 44 6.402 -11.986 12.418 1.00 0.00 C ATOM 2128 CE LYS B 44 7.807 -12.564 12.346 1.00 0.00 C ATOM 2129 NZ LYS B 44 8.602 -12.240 13.562 1.00 0.00 N ATOM 0 H LYS B 44 5.659 -8.212 11.098 1.00 0.00 H new ATOM 0 HA LYS B 44 3.975 -8.134 13.365 1.00 0.00 H new ATOM 0 HB2 LYS B 44 4.577 -10.445 13.642 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.413 -10.131 11.926 1.00 0.00 H new ATOM 0 HG2 LYS B 44 6.849 -10.023 11.668 1.00 0.00 H new ATOM 0 HG3 LYS B 44 7.072 -10.195 13.398 1.00 0.00 H new ATOM 0 HD2 LYS B 44 5.870 -12.426 13.261 1.00 0.00 H new ATOM 0 HD3 LYS B 44 5.851 -12.256 11.517 1.00 0.00 H new ATOM 0 HE2 LYS B 44 7.749 -13.646 12.227 1.00 0.00 H new ATOM 0 HE3 LYS B 44 8.316 -12.174 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.408 -12.893 13.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 8.952 -11.263 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 8.001 -12.337 14.406 1.00 0.00 H new ATOM 2143 N GLU B 45 7.214 -7.937 13.947 1.00 0.00 N ATOM 2144 CA GLU B 45 8.195 -7.619 14.981 1.00 0.00 C ATOM 2145 C GLU B 45 7.813 -6.337 15.715 1.00 0.00 C ATOM 2146 O GLU B 45 7.652 -6.333 16.933 1.00 0.00 O ATOM 2147 CB GLU B 45 9.588 -7.476 14.368 1.00 0.00 C ATOM 2148 CG GLU B 45 10.679 -7.227 15.397 1.00 0.00 C ATOM 2149 CD GLU B 45 12.049 -7.059 14.769 1.00 0.00 C ATOM 2150 OE1 GLU B 45 12.221 -6.118 13.968 1.00 0.00 O ATOM 2151 OE2 GLU B 45 12.947 -7.869 15.079 1.00 0.00 O ATOM 0 H GLU B 45 7.602 -8.039 13.009 1.00 0.00 H new ATOM 0 HA GLU B 45 8.207 -8.438 15.700 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.826 -8.381 13.810 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.579 -6.654 13.653 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.435 -6.333 15.970 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.706 -8.059 16.100 1.00 0.00 H new ATOM 2158 N PHE B 46 7.655 -5.253 14.964 1.00 0.00 N ATOM 2159 CA PHE B 46 7.278 -3.972 15.549 1.00 0.00 C ATOM 2160 C PHE B 46 5.900 -4.059 16.196 1.00 0.00 C ATOM 2161 O PHE B 46 5.688 -3.562 17.303 1.00 0.00 O ATOM 2162 CB PHE B 46 7.282 -2.873 14.486 1.00 0.00 C ATOM 2163 CG PHE B 46 8.652 -2.408 14.075 1.00 0.00 C ATOM 2164 CD1 PHE B 46 9.496 -1.806 14.994 1.00 0.00 C ATOM 2165 CD2 PHE B 46 9.087 -2.554 12.767 1.00 0.00 C ATOM 2166 CE1 PHE B 46 10.748 -1.358 14.618 1.00 0.00 C ATOM 2167 CE2 PHE B 46 10.341 -2.112 12.385 1.00 0.00 C ATOM 2168 CZ PHE B 46 11.173 -1.512 13.311 1.00 0.00 C ATOM 0 H PHE B 46 7.782 -5.235 13.952 1.00 0.00 H new ATOM 0 HA PHE B 46 8.011 -3.724 16.316 1.00 0.00 H new ATOM 0 HB2 PHE B 46 6.756 -3.237 13.604 1.00 0.00 H new ATOM 0 HB3 PHE B 46 6.720 -2.018 14.863 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.171 -1.685 16.017 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.440 -3.018 12.038 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.394 -0.888 15.344 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.670 -2.236 11.364 1.00 0.00 H new ATOM 0 HZ PHE B 46 12.152 -1.165 13.015 1.00 0.00 H new ATOM 2178 N ASP B 47 4.966 -4.694 15.497 1.00 0.00 N ATOM 2179 CA ASP B 47 3.606 -4.855 15.989 1.00 0.00 C ATOM 2180 C ASP B 47 3.595 -5.505 17.368 1.00 0.00 C ATOM 2181 O ASP B 47 2.856 -5.090 18.256 1.00 0.00 O ATOM 2182 CB ASP B 47 2.802 -5.708 15.003 1.00 0.00 C ATOM 2183 CG ASP B 47 1.349 -5.850 15.403 1.00 0.00 C ATOM 2184 OD1 ASP B 47 1.085 -6.327 16.525 1.00 0.00 O ATOM 2185 OD2 ASP B 47 0.475 -5.491 14.586 1.00 0.00 O ATOM 0 H ASP B 47 5.130 -5.109 14.580 1.00 0.00 H new ATOM 0 HA ASP B 47 3.151 -3.868 16.076 1.00 0.00 H new ATOM 0 HB2 ASP B 47 2.859 -5.260 14.011 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.254 -6.698 14.933 1.00 0.00 H new ATOM 2190 N LYS B 48 4.417 -6.532 17.530 1.00 0.00 N ATOM 2191 CA LYS B 48 4.507 -7.257 18.789 1.00 0.00 C ATOM 2192 C LYS B 48 5.288 -6.476 19.844 1.00 0.00 C ATOM 2193 O LYS B 48 4.879 -6.402 21.003 1.00 0.00 O ATOM 2194 CB LYS B 48 5.160 -8.617 18.547 1.00 0.00 C ATOM 2195 CG LYS B 48 5.394 -9.417 19.814 1.00 0.00 C ATOM 2196 CD LYS B 48 4.094 -9.681 20.556 1.00 0.00 C ATOM 2197 CE LYS B 48 3.112 -10.466 19.699 1.00 0.00 C ATOM 2198 NZ LYS B 48 1.834 -10.731 20.419 1.00 0.00 N ATOM 0 H LYS B 48 5.035 -6.884 16.799 1.00 0.00 H new ATOM 0 HA LYS B 48 3.496 -7.395 19.172 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.530 -9.197 17.873 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.114 -8.467 18.042 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.870 -10.365 19.564 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.082 -8.877 20.464 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.302 -10.234 21.472 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.644 -8.733 20.852 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.905 -9.911 18.784 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.565 -11.412 19.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 1.192 -11.268 19.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.028 -11.282 21.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 1.389 -9.828 20.680 1.00 0.00 H new ATOM 2212 N LYS B 49 6.422 -5.916 19.444 1.00 0.00 N ATOM 2213 CA LYS B 49 7.271 -5.163 20.366 1.00 0.00 C ATOM 2214 C LYS B 49 6.661 -3.819 20.739 1.00 0.00 C ATOM 2215 O LYS B 49 6.254 -3.603 21.881 1.00 0.00 O ATOM 2216 CB LYS B 49 8.654 -4.942 19.752 1.00 0.00 C ATOM 2217 CG LYS B 49 9.399 -6.230 19.446 1.00 0.00 C ATOM 2218 CD LYS B 49 10.798 -5.955 18.922 1.00 0.00 C ATOM 2219 CE LYS B 49 11.570 -7.243 18.693 1.00 0.00 C ATOM 2220 NZ LYS B 49 12.933 -6.987 18.152 1.00 0.00 N ATOM 0 H LYS B 49 6.777 -5.967 18.489 1.00 0.00 H new ATOM 0 HA LYS B 49 7.360 -5.756 21.276 1.00 0.00 H new ATOM 0 HB2 LYS B 49 8.546 -4.368 18.832 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.253 -4.340 20.435 1.00 0.00 H new ATOM 0 HG2 LYS B 49 9.461 -6.839 20.348 1.00 0.00 H new ATOM 0 HG3 LYS B 49 8.841 -6.808 18.709 1.00 0.00 H new ATOM 0 HD2 LYS B 49 10.735 -5.397 17.988 1.00 0.00 H new ATOM 0 HD3 LYS B 49 11.337 -5.328 19.632 1.00 0.00 H new ATOM 0 HE2 LYS B 49 11.650 -7.790 19.632 1.00 0.00 H new ATOM 0 HE3 LYS B 49 11.018 -7.878 18.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 13.027 -7.438 17.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 13.082 -5.962 18.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 13.644 -7.382 18.801 1.00 0.00 H new ATOM 2234 N TYR B 50 6.622 -2.916 19.773 1.00 0.00 N ATOM 2235 CA TYR B 50 6.086 -1.577 19.992 1.00 0.00 C ATOM 2236 C TYR B 50 4.565 -1.586 20.130 1.00 0.00 C ATOM 2237 O TYR B 50 3.974 -0.582 20.527 1.00 0.00 O ATOM 2238 CB TYR B 50 6.525 -0.646 18.864 1.00 0.00 C ATOM 2239 CG TYR B 50 8.031 -0.471 18.763 1.00 0.00 C ATOM 2240 CD1 TYR B 50 8.898 -1.165 19.607 1.00 0.00 C ATOM 2241 CD2 TYR B 50 8.587 0.384 17.820 1.00 0.00 C ATOM 2242 CE1 TYR B 50 10.265 -1.008 19.511 1.00 0.00 C ATOM 2243 CE2 TYR B 50 9.958 0.544 17.718 1.00 0.00 C ATOM 2244 CZ TYR B 50 10.791 -0.154 18.565 1.00 0.00 C ATOM 2245 OH TYR B 50 12.154 0.003 18.468 1.00 0.00 O ATOM 0 H TYR B 50 6.956 -3.084 18.824 1.00 0.00 H new ATOM 0 HA TYR B 50 6.489 -1.206 20.935 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.150 -1.035 17.918 1.00 0.00 H new ATOM 0 HB3 TYR B 50 6.064 0.331 19.012 1.00 0.00 H new ATOM 0 HD1 TYR B 50 8.492 -1.837 20.349 1.00 0.00 H new ATOM 0 HD2 TYR B 50 7.938 0.934 17.155 1.00 0.00 H new ATOM 0 HE1 TYR B 50 10.921 -1.552 20.174 1.00 0.00 H new ATOM 0 HE2 TYR B 50 10.373 1.213 16.978 1.00 0.00 H new ATOM 0 HH TYR B 50 12.360 0.639 17.751 1.00 0.00 H new ATOM 2255 N ASN B 51 3.947 -2.721 19.796 1.00 0.00 N ATOM 2256 CA ASN B 51 2.492 -2.888 19.871 1.00 0.00 C ATOM 2257 C ASN B 51 1.845 -2.509 18.549 1.00 0.00 C ATOM 2258 O ASN B 51 2.294 -1.587 17.870 1.00 0.00 O ATOM 2259 CB ASN B 51 1.872 -2.069 21.013 1.00 0.00 C ATOM 2260 CG ASN B 51 2.465 -2.415 22.367 1.00 0.00 C ATOM 2261 OD1 ASN B 51 3.666 -2.264 22.590 1.00 0.00 O ATOM 2262 ND2 ASN B 51 1.620 -2.884 23.279 1.00 0.00 N ATOM 0 H ASN B 51 4.440 -3.551 19.466 1.00 0.00 H new ATOM 0 HA ASN B 51 2.301 -3.941 20.079 1.00 0.00 H new ATOM 0 HB2 ASN B 51 2.020 -1.007 20.816 1.00 0.00 H new ATOM 0 HB3 ASN B 51 0.796 -2.242 21.037 1.00 0.00 H new ATOM 0 HD21 ASN B 51 1.959 -3.135 24.208 1.00 0.00 H new ATOM 0 HD22 ASN B 51 0.632 -2.993 23.051 1.00 0.00 H new ATOM 2269 N PRO B 52 0.783 -3.228 18.158 1.00 0.00 N ATOM 2270 CA PRO B 52 0.084 -2.969 16.901 1.00 0.00 C ATOM 2271 C PRO B 52 -0.523 -1.565 16.853 1.00 0.00 C ATOM 2272 O PRO B 52 -0.573 -0.876 17.873 1.00 0.00 O ATOM 2273 CB PRO B 52 -1.026 -4.028 16.872 1.00 0.00 C ATOM 2274 CG PRO B 52 -1.183 -4.465 18.287 1.00 0.00 C ATOM 2275 CD PRO B 52 0.182 -4.349 18.902 1.00 0.00 C ATOM 0 HA PRO B 52 0.760 -3.022 16.048 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -1.956 -3.614 16.482 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -0.755 -4.865 16.229 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -1.904 -3.839 18.813 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -1.551 -5.489 18.342 1.00 0.00 H new ATOM 0 HD2 PRO B 52 0.127 -4.142 19.971 1.00 0.00 H new ATOM 0 HD3 PRO B 52 0.758 -5.267 18.784 1.00 0.00 H new ATOM 2283 N THR B 53 -0.988 -1.133 15.672 1.00 0.00 N ATOM 2284 CA THR B 53 -0.936 -1.940 14.456 1.00 0.00 C ATOM 2285 C THR B 53 0.007 -1.313 13.442 1.00 0.00 C ATOM 2286 O THR B 53 -0.082 -0.123 13.162 1.00 0.00 O ATOM 2287 CB THR B 53 -2.337 -2.065 13.860 1.00 0.00 C ATOM 2288 OG1 THR B 53 -2.327 -2.915 12.727 1.00 0.00 O ATOM 2289 CG2 THR B 53 -2.924 -0.734 13.432 1.00 0.00 C ATOM 0 H THR B 53 -1.410 -0.214 15.538 1.00 0.00 H new ATOM 0 HA THR B 53 -0.563 -2.932 14.708 1.00 0.00 H new ATOM 0 HB THR B 53 -2.955 -2.479 14.657 1.00 0.00 H new ATOM 0 HG1 THR B 53 -2.636 -2.417 11.942 1.00 0.00 H new ATOM 0 HG21 THR B 53 -3.920 -0.892 13.017 1.00 0.00 H new ATOM 0 HG22 THR B 53 -2.991 -0.072 14.295 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.284 -0.280 12.675 1.00 0.00 H new ATOM 2297 N TRP B 54 0.918 -2.114 12.904 1.00 0.00 N ATOM 2298 CA TRP B 54 1.886 -1.614 11.934 1.00 0.00 C ATOM 2299 C TRP B 54 1.544 -2.006 10.507 1.00 0.00 C ATOM 2300 O TRP B 54 1.243 -3.163 10.213 1.00 0.00 O ATOM 2301 CB TRP B 54 3.282 -2.110 12.281 1.00 0.00 C ATOM 2302 CG TRP B 54 3.773 -1.575 13.582 1.00 0.00 C ATOM 2303 CD1 TRP B 54 3.201 -1.753 14.806 1.00 0.00 C ATOM 2304 CD2 TRP B 54 4.928 -0.761 13.788 1.00 0.00 C ATOM 2305 NE1 TRP B 54 3.938 -1.111 15.768 1.00 0.00 N ATOM 2306 CE2 TRP B 54 5.006 -0.491 15.167 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.909 -0.239 12.940 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 6.027 0.278 15.715 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.922 0.528 13.486 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.974 0.778 14.863 1.00 0.00 C ATOM 0 H TRP B 54 1.008 -3.107 13.121 1.00 0.00 H new ATOM 0 HA TRP B 54 1.852 -0.526 11.989 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.278 -3.199 12.319 1.00 0.00 H new ATOM 0 HB3 TRP B 54 3.973 -1.821 11.489 1.00 0.00 H new ATOM 0 HD1 TRP B 54 2.299 -2.317 14.991 1.00 0.00 H new ATOM 0 HE1 TRP B 54 3.728 -1.096 16.766 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.876 -0.431 11.878 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 6.071 0.474 16.776 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.684 0.940 12.841 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.779 1.378 15.261 1.00 0.00 H new ATOM 2321 N HIS B 55 1.629 -1.025 9.620 1.00 0.00 N ATOM 2322 CA HIS B 55 1.366 -1.234 8.209 1.00 0.00 C ATOM 2323 C HIS B 55 2.674 -1.076 7.442 1.00 0.00 C ATOM 2324 O HIS B 55 3.454 -0.166 7.730 1.00 0.00 O ATOM 2325 CB HIS B 55 0.329 -0.226 7.719 1.00 0.00 C ATOM 2326 CG HIS B 55 -0.802 -0.028 8.681 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.632 -1.050 9.093 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.229 1.083 9.322 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.523 -0.573 9.943 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.300 0.719 10.100 1.00 0.00 N ATOM 0 H HIS B 55 1.881 -0.066 9.860 1.00 0.00 H new ATOM 0 HA HIS B 55 0.969 -2.236 8.045 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.818 0.732 7.541 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.071 -0.562 6.762 1.00 0.00 H new ATOM 0 HD1 HIS B 55 -1.568 -2.021 8.789 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -0.806 2.073 9.238 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.302 -1.143 10.428 1.00 0.00 H new ATOM 2339 N CYS B 56 2.937 -1.968 6.494 1.00 0.00 N ATOM 2340 CA CYS B 56 4.186 -1.899 5.740 1.00 0.00 C ATOM 2341 C CYS B 56 3.994 -2.251 4.270 1.00 0.00 C ATOM 2342 O CYS B 56 3.126 -3.048 3.912 1.00 0.00 O ATOM 2343 CB CYS B 56 5.227 -2.828 6.365 1.00 0.00 C ATOM 2344 SG CYS B 56 6.849 -2.760 5.567 1.00 0.00 S ATOM 0 H CYS B 56 2.317 -2.734 6.231 1.00 0.00 H new ATOM 0 HA CYS B 56 4.536 -0.868 5.786 1.00 0.00 H new ATOM 0 HB2 CYS B 56 5.341 -2.572 7.418 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.856 -3.852 6.324 1.00 0.00 H new ATOM 0 HG CYS B 56 7.070 -1.554 5.136 1.00 0.00 H new ATOM 2350 N ILE B 57 4.824 -1.645 3.428 1.00 0.00 N ATOM 2351 CA ILE B 57 4.778 -1.870 1.990 1.00 0.00 C ATOM 2352 C ILE B 57 6.177 -1.732 1.393 1.00 0.00 C ATOM 2353 O ILE B 57 6.959 -0.883 1.820 1.00 0.00 O ATOM 2354 CB ILE B 57 3.837 -0.867 1.300 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.472 -0.856 1.987 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.690 -1.205 -0.177 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.493 0.120 1.372 1.00 0.00 C ATOM 0 H ILE B 57 5.545 -0.986 3.723 1.00 0.00 H new ATOM 0 HA ILE B 57 4.400 -2.879 1.823 1.00 0.00 H new ATOM 0 HB ILE B 57 4.272 0.129 1.383 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.046 -1.859 1.947 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.606 -0.608 3.040 1.00 0.00 H new ATOM 0 HG21 ILE B 57 3.021 -0.486 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.667 -1.163 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE B 57 3.276 -2.208 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.546 0.074 1.910 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.898 1.130 1.436 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.329 -0.140 0.326 1.00 0.00 H new ATOM 2369 N VAL B 58 6.492 -2.572 0.413 1.00 0.00 N ATOM 2370 CA VAL B 58 7.803 -2.532 -0.224 1.00 0.00 C ATOM 2371 C VAL B 58 7.719 -2.960 -1.684 1.00 0.00 C ATOM 2372 O VAL B 58 7.074 -3.955 -2.016 1.00 0.00 O ATOM 2373 CB VAL B 58 8.809 -3.440 0.513 1.00 0.00 C ATOM 2374 CG1 VAL B 58 10.189 -3.342 -0.121 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.869 -3.082 1.990 1.00 0.00 C ATOM 0 H VAL B 58 5.862 -3.284 0.044 1.00 0.00 H new ATOM 0 HA VAL B 58 8.151 -1.500 -0.174 1.00 0.00 H new ATOM 0 HB VAL B 58 8.468 -4.471 0.424 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.882 -3.990 0.415 1.00 0.00 H new ATOM 0 HG12 VAL B 58 10.133 -3.653 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.541 -2.312 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.584 -3.733 2.493 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.183 -2.044 2.100 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.883 -3.212 2.436 1.00 0.00 H new ATOM 2385 N GLY B 59 8.379 -2.200 -2.551 1.00 0.00 N ATOM 2386 CA GLY B 59 8.370 -2.507 -3.967 1.00 0.00 C ATOM 2387 C GLY B 59 9.135 -1.483 -4.781 1.00 0.00 C ATOM 2388 O GLY B 59 10.274 -1.147 -4.457 1.00 0.00 O ATOM 0 H GLY B 59 8.921 -1.375 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.806 -3.493 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY B 59 7.340 -2.553 -4.320 1.00 0.00 H new ATOM 2392 N ARG B 60 8.507 -0.983 -5.840 1.00 0.00 N ATOM 2393 CA ARG B 60 9.138 0.014 -6.703 1.00 0.00 C ATOM 2394 C ARG B 60 8.164 0.530 -7.757 1.00 0.00 C ATOM 2395 O ARG B 60 8.555 0.814 -8.888 1.00 0.00 O ATOM 2396 CB ARG B 60 10.370 -0.584 -7.386 1.00 0.00 C ATOM 2397 CG ARG B 60 10.061 -1.821 -8.215 1.00 0.00 C ATOM 2398 CD ARG B 60 11.301 -2.343 -8.923 1.00 0.00 C ATOM 2399 NE ARG B 60 11.036 -3.576 -9.662 1.00 0.00 N ATOM 2400 CZ ARG B 60 10.714 -4.732 -9.088 1.00 0.00 C ATOM 2401 NH1 ARG B 60 10.663 -4.834 -7.765 1.00 0.00 N ATOM 2402 NH2 ARG B 60 10.458 -5.796 -9.838 1.00 0.00 N ATOM 0 H ARG B 60 7.564 -1.250 -6.122 1.00 0.00 H new ATOM 0 HA ARG B 60 9.441 0.854 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG B 60 10.822 0.171 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG B 60 11.109 -0.840 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG B 60 9.654 -2.600 -7.570 1.00 0.00 H new ATOM 0 HG3 ARG B 60 9.293 -1.584 -8.951 1.00 0.00 H new ATOM 0 HD2 ARG B 60 11.673 -1.582 -9.610 1.00 0.00 H new ATOM 0 HD3 ARG B 60 12.088 -2.522 -8.190 1.00 0.00 H new ATOM 0 HE ARG B 60 11.102 -3.548 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG B 60 10.871 -4.023 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG B 60 10.415 -5.723 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG B 60 10.508 -5.727 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG B 60 10.211 -6.683 -9.398 1.00 0.00 H new ATOM 2416 N ASN B 61 6.896 0.649 -7.372 1.00 0.00 N ATOM 2417 CA ASN B 61 5.846 1.131 -8.268 1.00 0.00 C ATOM 2418 C ASN B 61 4.482 0.892 -7.636 1.00 0.00 C ATOM 2419 O ASN B 61 3.809 -0.091 -7.952 1.00 0.00 O ATOM 2420 CB ASN B 61 5.915 0.423 -9.630 1.00 0.00 C ATOM 2421 CG ASN B 61 4.859 0.899 -10.620 1.00 0.00 C ATOM 2422 OD1 ASN B 61 4.169 1.997 -10.310 1.00 0.00 O flip ATOM 2423 ND2 ASN B 61 4.677 0.292 -11.676 1.00 0.00 N flip ATOM 0 H ASN B 61 6.567 0.416 -6.435 1.00 0.00 H new ATOM 0 HA ASN B 61 5.996 2.199 -8.428 1.00 0.00 H new ATOM 0 HB2 ASN B 61 6.903 0.581 -10.062 1.00 0.00 H new ATOM 0 HB3 ASN B 61 5.801 -0.650 -9.478 1.00 0.00 H new ATOM 0 HD21 ASN B 61 5.222 -0.545 -11.883 1.00 0.00 H new ATOM 0 HD22 ASN B 61 3.982 0.626 -12.343 1.00 0.00 H new ATOM 2430 N PHE B 62 4.077 1.775 -6.730 1.00 0.00 N ATOM 2431 CA PHE B 62 2.797 1.615 -6.056 1.00 0.00 C ATOM 2432 C PHE B 62 2.236 2.930 -5.530 1.00 0.00 C ATOM 2433 O PHE B 62 2.908 3.670 -4.812 1.00 0.00 O ATOM 2434 CB PHE B 62 2.949 0.647 -4.885 1.00 0.00 C ATOM 2435 CG PHE B 62 3.845 1.167 -3.794 1.00 0.00 C ATOM 2436 CD1 PHE B 62 5.194 1.374 -4.029 1.00 0.00 C ATOM 2437 CD2 PHE B 62 3.335 1.457 -2.538 1.00 0.00 C ATOM 2438 CE1 PHE B 62 6.020 1.858 -3.032 1.00 0.00 C ATOM 2439 CE2 PHE B 62 4.156 1.941 -1.537 1.00 0.00 C ATOM 2440 CZ PHE B 62 5.501 2.141 -1.784 1.00 0.00 C ATOM 0 H PHE B 62 4.610 2.598 -6.449 1.00 0.00 H new ATOM 0 HA PHE B 62 2.099 1.227 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.965 0.436 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE B 62 3.348 -0.298 -5.254 1.00 0.00 H new ATOM 0 HD1 PHE B 62 5.606 1.155 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE B 62 2.285 1.303 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE B 62 7.070 2.015 -3.229 1.00 0.00 H new ATOM 0 HE2 PHE B 62 3.747 2.163 -0.562 1.00 0.00 H new ATOM 0 HZ PHE B 62 6.145 2.518 -1.003 1.00 0.00 H new ATOM 2450 N GLY B 63 0.974 3.177 -5.854 1.00 0.00 N ATOM 2451 CA GLY B 63 0.293 4.362 -5.368 1.00 0.00 C ATOM 2452 C GLY B 63 -0.641 3.986 -4.238 1.00 0.00 C ATOM 2453 O GLY B 63 -1.273 2.934 -4.303 1.00 0.00 O ATOM 0 H GLY B 63 0.406 2.574 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY B 63 1.021 5.096 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.269 4.828 -6.177 1.00 0.00 H new ATOM 2457 N SER B 64 -0.724 4.792 -3.182 1.00 0.00 N ATOM 2458 CA SER B 64 -1.594 4.418 -2.067 1.00 0.00 C ATOM 2459 C SER B 64 -1.922 5.564 -1.115 1.00 0.00 C ATOM 2460 O SER B 64 -1.245 6.596 -1.082 1.00 0.00 O ATOM 2461 CB SER B 64 -0.951 3.280 -1.275 1.00 0.00 C ATOM 2462 OG SER B 64 0.324 3.655 -0.786 1.00 0.00 O ATOM 0 H SER B 64 -0.222 5.674 -3.073 1.00 0.00 H new ATOM 0 HA SER B 64 -2.538 4.109 -2.515 1.00 0.00 H new ATOM 0 HB2 SER B 64 -1.596 3.003 -0.441 1.00 0.00 H new ATOM 0 HB3 SER B 64 -0.856 2.399 -1.910 1.00 0.00 H new ATOM 0 HG SER B 64 0.713 2.910 -0.282 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.974 5.329 -0.324 1.00 0.00 N ATOM 2469 CA TYR B 65 -3.452 6.275 0.680 1.00 0.00 C ATOM 2470 C TYR B 65 -3.758 5.539 1.982 1.00 0.00 C ATOM 2471 O TYR B 65 -4.221 4.399 1.965 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.705 7.007 0.200 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.425 8.092 -0.810 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.930 7.787 -2.070 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.654 9.424 -0.497 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.670 8.782 -2.990 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -4.399 10.425 -1.412 1.00 0.00 C ATOM 2478 CZ TYR B 65 -3.906 10.100 -2.659 1.00 0.00 C ATOM 2479 OH TYR B 65 -3.650 11.094 -3.575 1.00 0.00 O ATOM 0 H TYR B 65 -3.520 4.468 -0.366 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.667 7.013 0.849 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -5.392 6.283 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -5.211 7.446 1.060 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.746 6.756 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.038 9.682 0.479 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.283 8.530 -3.966 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -4.584 11.457 -1.153 1.00 0.00 H new ATOM 0 HH TYR B 65 -3.872 11.965 -3.183 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.483 6.191 3.107 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.713 5.592 4.422 1.00 0.00 C ATOM 2491 C VAL B 66 -3.815 6.660 5.502 1.00 0.00 C ATOM 2492 O VAL B 66 -3.359 7.776 5.316 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.558 4.651 4.812 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.886 3.905 6.096 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -2.233 3.677 3.689 1.00 0.00 C ATOM 0 H VAL B 66 -3.100 7.136 3.137 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.648 5.036 4.351 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.673 5.263 4.985 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -2.058 3.245 6.355 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -3.045 4.621 6.902 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.790 3.313 5.952 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.414 3.027 3.997 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -3.112 3.072 3.466 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -1.940 4.233 2.798 1.00 0.00 H new ATOM 2505 N THR B 67 -4.391 6.299 6.641 1.00 0.00 N ATOM 2506 CA THR B 67 -4.522 7.221 7.767 1.00 0.00 C ATOM 2507 C THR B 67 -3.588 6.779 8.893 1.00 0.00 C ATOM 2508 O THR B 67 -3.441 5.583 9.146 1.00 0.00 O ATOM 2509 CB THR B 67 -5.974 7.251 8.255 1.00 0.00 C ATOM 2510 OG1 THR B 67 -6.832 7.737 7.238 1.00 0.00 O ATOM 2511 CG2 THR B 67 -6.189 8.108 9.483 1.00 0.00 C ATOM 0 H THR B 67 -4.777 5.371 6.812 1.00 0.00 H new ATOM 0 HA THR B 67 -4.246 8.227 7.449 1.00 0.00 H new ATOM 0 HB THR B 67 -6.206 6.218 8.516 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.614 7.151 7.162 1.00 0.00 H new ATOM 0 HG21 THR B 67 -7.241 8.079 9.767 1.00 0.00 H new ATOM 0 HG22 THR B 67 -5.581 7.727 10.303 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.901 9.136 9.264 1.00 0.00 H new ATOM 2519 N HIS B 68 -2.933 7.736 9.543 1.00 0.00 N ATOM 2520 CA HIS B 68 -1.991 7.408 10.607 1.00 0.00 C ATOM 2521 C HIS B 68 -1.779 8.586 11.555 1.00 0.00 C ATOM 2522 O HIS B 68 -1.619 9.727 11.121 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.664 7.020 9.972 1.00 0.00 C ATOM 2524 CG HIS B 68 -0.121 8.107 9.105 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.568 9.191 9.602 1.00 0.00 N ATOM 2526 CD2 HIS B 68 -0.222 8.307 7.769 1.00 0.00 C ATOM 2527 CE1 HIS B 68 0.866 10.012 8.612 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.401 9.499 7.489 1.00 0.00 N ATOM 0 H HIS B 68 -3.035 8.733 9.355 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.397 6.583 11.192 1.00 0.00 H new ATOM 0 HB2 HIS B 68 0.058 6.786 10.754 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -0.796 6.115 9.379 1.00 0.00 H new ATOM 0 HD1 HIS B 68 0.810 9.337 10.582 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.702 7.652 7.057 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.400 10.946 8.706 1.00 0.00 H new ATOM 2537 N GLU B 69 -1.765 8.295 12.852 1.00 0.00 N ATOM 2538 CA GLU B 69 -1.558 9.323 13.867 1.00 0.00 C ATOM 2539 C GLU B 69 -0.235 10.049 13.641 1.00 0.00 C ATOM 2540 O GLU B 69 0.725 9.465 13.139 1.00 0.00 O ATOM 2541 CB GLU B 69 -1.570 8.702 15.264 1.00 0.00 C ATOM 2542 CG GLU B 69 -0.420 7.740 15.505 1.00 0.00 C ATOM 2543 CD GLU B 69 -0.429 7.157 16.904 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -0.349 7.938 17.875 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -0.518 5.917 17.030 1.00 0.00 O ATOM 0 H GLU B 69 -1.895 7.355 13.226 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.372 10.043 13.787 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -1.531 9.498 16.008 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -2.512 8.175 15.411 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -0.471 6.930 14.778 1.00 0.00 H new ATOM 0 HG3 GLU B 69 0.524 8.259 15.338 1.00 0.00 H new ATOM 2552 N THR B 70 -0.190 11.324 14.011 1.00 0.00 N ATOM 2553 CA THR B 70 1.018 12.126 13.844 1.00 0.00 C ATOM 2554 C THR B 70 2.204 11.496 14.566 1.00 0.00 C ATOM 2555 O THR B 70 2.042 10.834 15.590 1.00 0.00 O ATOM 2556 CB THR B 70 0.795 13.547 14.358 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.445 13.536 15.730 1.00 0.00 O ATOM 2558 CG2 THR B 70 -0.291 14.290 13.611 1.00 0.00 C ATOM 0 H THR B 70 -0.975 11.825 14.428 1.00 0.00 H new ATOM 0 HA THR B 70 1.244 12.163 12.778 1.00 0.00 H new ATOM 0 HB THR B 70 1.741 14.064 14.198 1.00 0.00 H new ATOM 0 HG1 THR B 70 0.308 14.456 16.040 1.00 0.00 H new ATOM 0 HG21 THR B 70 -0.398 15.292 14.026 1.00 0.00 H new ATOM 0 HG22 THR B 70 -0.024 14.361 12.557 1.00 0.00 H new ATOM 0 HG23 THR B 70 -1.234 13.753 13.711 1.00 0.00 H new ATOM 2566 N LYS B 71 3.397 11.701 14.014 1.00 0.00 N ATOM 2567 CA LYS B 71 4.621 11.151 14.588 1.00 0.00 C ATOM 2568 C LYS B 71 4.599 9.629 14.536 1.00 0.00 C ATOM 2569 O LYS B 71 5.095 8.956 15.438 1.00 0.00 O ATOM 2570 CB LYS B 71 4.803 11.620 16.034 1.00 0.00 C ATOM 2571 CG LYS B 71 4.972 13.124 16.170 1.00 0.00 C ATOM 2572 CD LYS B 71 6.171 13.623 15.382 1.00 0.00 C ATOM 2573 CE LYS B 71 6.343 15.126 15.523 1.00 0.00 C ATOM 2574 NZ LYS B 71 6.551 15.531 16.942 1.00 0.00 N ATOM 0 H LYS B 71 3.542 12.247 13.165 1.00 0.00 H new ATOM 0 HA LYS B 71 5.462 11.513 13.996 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.940 11.306 16.620 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.675 11.125 16.460 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.070 13.626 15.819 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.093 13.384 17.222 1.00 0.00 H new ATOM 0 HD2 LYS B 71 7.072 13.118 15.730 1.00 0.00 H new ATOM 0 HD3 LYS B 71 6.048 13.367 14.330 1.00 0.00 H new ATOM 0 HE2 LYS B 71 7.193 15.452 14.924 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.462 15.631 15.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 6.896 16.511 16.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 5.651 15.463 17.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 7.251 14.902 17.384 1.00 0.00 H new ATOM 2588 N HIS B 72 4.022 9.098 13.465 1.00 0.00 N ATOM 2589 CA HIS B 72 3.931 7.655 13.277 1.00 0.00 C ATOM 2590 C HIS B 72 3.845 7.308 11.794 1.00 0.00 C ATOM 2591 O HIS B 72 2.806 6.858 11.311 1.00 0.00 O ATOM 2592 CB HIS B 72 2.714 7.085 14.012 1.00 0.00 C ATOM 2593 CG HIS B 72 2.787 7.206 15.504 1.00 0.00 C ATOM 2594 ND1 HIS B 72 2.680 8.408 16.175 1.00 0.00 N ATOM 2595 CD2 HIS B 72 2.962 6.262 16.458 1.00 0.00 C ATOM 2596 CE1 HIS B 72 2.790 8.195 17.474 1.00 0.00 C ATOM 2597 NE2 HIS B 72 2.962 6.903 17.671 1.00 0.00 N ATOM 0 H HIS B 72 3.609 9.647 12.711 1.00 0.00 H new ATOM 0 HA HIS B 72 4.834 7.208 13.693 1.00 0.00 H new ATOM 0 HB2 HIS B 72 1.818 7.597 13.660 1.00 0.00 H new ATOM 0 HB3 HIS B 72 2.604 6.033 13.749 1.00 0.00 H new ATOM 0 HD1 HIS B 72 2.538 9.318 15.736 1.00 0.00 H new ATOM 0 HD2 HIS B 72 3.080 5.201 16.295 1.00 0.00 H new ATOM 0 HE1 HIS B 72 2.746 8.951 18.244 1.00 0.00 H new ATOM 2606 N PHE B 73 4.943 7.518 11.078 1.00 0.00 N ATOM 2607 CA PHE B 73 4.990 7.225 9.652 1.00 0.00 C ATOM 2608 C PHE B 73 6.384 7.471 9.089 1.00 0.00 C ATOM 2609 O PHE B 73 7.075 8.401 9.504 1.00 0.00 O ATOM 2610 CB PHE B 73 3.955 8.063 8.898 1.00 0.00 C ATOM 2611 CG PHE B 73 3.919 7.790 7.421 1.00 0.00 C ATOM 2612 CD1 PHE B 73 4.961 8.188 6.599 1.00 0.00 C ATOM 2613 CD2 PHE B 73 2.844 7.123 6.856 1.00 0.00 C ATOM 2614 CE1 PHE B 73 4.932 7.930 5.242 1.00 0.00 C ATOM 2615 CE2 PHE B 73 2.807 6.861 5.500 1.00 0.00 C ATOM 2616 CZ PHE B 73 3.852 7.266 4.691 1.00 0.00 C ATOM 0 H PHE B 73 5.812 7.890 11.462 1.00 0.00 H new ATOM 0 HA PHE B 73 4.751 6.170 9.517 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.968 7.870 9.319 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.169 9.120 9.058 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.807 8.707 7.025 1.00 0.00 H new ATOM 0 HD2 PHE B 73 2.025 6.804 7.483 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.751 8.246 4.613 1.00 0.00 H new ATOM 0 HE2 PHE B 73 1.963 6.340 5.073 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.825 7.064 3.630 1.00 0.00 H new ATOM 2626 N ILE B 74 6.795 6.627 8.147 1.00 0.00 N ATOM 2627 CA ILE B 74 8.115 6.758 7.542 1.00 0.00 C ATOM 2628 C ILE B 74 8.169 6.147 6.142 1.00 0.00 C ATOM 2629 O ILE B 74 7.750 5.009 5.924 1.00 0.00 O ATOM 2630 CB ILE B 74 9.195 6.090 8.423 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.572 6.186 7.759 1.00 0.00 C ATOM 2632 CG2 ILE B 74 8.831 4.637 8.698 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.676 5.525 8.553 1.00 0.00 C ATOM 0 H ILE B 74 6.238 5.851 7.789 1.00 0.00 H new ATOM 0 HA ILE B 74 8.314 7.827 7.462 1.00 0.00 H new ATOM 0 HB ILE B 74 9.240 6.621 9.374 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.522 5.728 6.771 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.822 7.237 7.611 1.00 0.00 H new ATOM 0 HG21 ILE B 74 9.601 4.180 9.320 1.00 0.00 H new ATOM 0 HG22 ILE B 74 7.873 4.594 9.217 1.00 0.00 H new ATOM 0 HG23 ILE B 74 8.758 4.096 7.755 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.621 5.633 8.021 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.754 5.998 9.532 1.00 0.00 H new ATOM 0 HD13 ILE B 74 11.450 4.466 8.679 1.00 0.00 H new ATOM 2645 N TYR B 75 8.721 6.914 5.207 1.00 0.00 N ATOM 2646 CA TYR B 75 8.879 6.474 3.826 1.00 0.00 C ATOM 2647 C TYR B 75 10.312 6.741 3.386 1.00 0.00 C ATOM 2648 O TYR B 75 10.856 7.812 3.657 1.00 0.00 O ATOM 2649 CB TYR B 75 7.901 7.206 2.902 1.00 0.00 C ATOM 2650 CG TYR B 75 8.018 6.800 1.449 1.00 0.00 C ATOM 2651 CD1 TYR B 75 9.147 7.123 0.704 1.00 0.00 C ATOM 2652 CD2 TYR B 75 7.001 6.089 0.823 1.00 0.00 C ATOM 2653 CE1 TYR B 75 9.259 6.749 -0.620 1.00 0.00 C ATOM 2654 CE2 TYR B 75 7.108 5.712 -0.503 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.238 6.046 -1.219 1.00 0.00 C ATOM 2656 OH TYR B 75 8.348 5.672 -2.539 1.00 0.00 O ATOM 0 H TYR B 75 9.070 7.856 5.385 1.00 0.00 H new ATOM 0 HA TYR B 75 8.662 5.408 3.765 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.883 7.017 3.242 1.00 0.00 H new ATOM 0 HB3 TYR B 75 8.071 8.280 2.985 1.00 0.00 H new ATOM 0 HD1 TYR B 75 9.950 7.676 1.169 1.00 0.00 H new ATOM 0 HD2 TYR B 75 6.114 5.827 1.381 1.00 0.00 H new ATOM 0 HE1 TYR B 75 10.144 7.007 -1.183 1.00 0.00 H new ATOM 0 HE2 TYR B 75 6.310 5.158 -0.976 1.00 0.00 H new ATOM 0 HH TYR B 75 9.270 5.810 -2.842 1.00 0.00 H new ATOM 2666 N PHE B 76 10.934 5.769 2.730 1.00 0.00 N ATOM 2667 CA PHE B 76 12.313 5.936 2.297 1.00 0.00 C ATOM 2668 C PHE B 76 12.760 4.819 1.358 1.00 0.00 C ATOM 2669 O PHE B 76 12.508 3.641 1.608 1.00 0.00 O ATOM 2670 CB PHE B 76 13.229 5.984 3.521 1.00 0.00 C ATOM 2671 CG PHE B 76 13.152 4.754 4.383 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.980 4.421 5.044 1.00 0.00 C ATOM 2673 CD2 PHE B 76 14.254 3.928 4.527 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.911 3.287 5.833 1.00 0.00 C ATOM 2675 CE2 PHE B 76 14.191 2.794 5.314 1.00 0.00 C ATOM 2676 CZ PHE B 76 13.017 2.473 5.967 1.00 0.00 C ATOM 0 H PHE B 76 10.513 4.872 2.490 1.00 0.00 H new ATOM 0 HA PHE B 76 12.377 6.872 1.743 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.258 6.120 3.188 1.00 0.00 H new ATOM 0 HB3 PHE B 76 12.971 6.855 4.123 1.00 0.00 H new ATOM 0 HD1 PHE B 76 11.111 5.054 4.942 1.00 0.00 H new ATOM 0 HD2 PHE B 76 15.174 4.173 4.018 1.00 0.00 H new ATOM 0 HE1 PHE B 76 10.992 3.039 6.344 1.00 0.00 H new ATOM 0 HE2 PHE B 76 15.059 2.159 5.418 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.965 1.586 6.581 1.00 0.00 H new ATOM 2686 N TYR B 77 13.446 5.207 0.284 1.00 0.00 N ATOM 2687 CA TYR B 77 13.956 4.250 -0.691 1.00 0.00 C ATOM 2688 C TYR B 77 15.141 3.484 -0.114 1.00 0.00 C ATOM 2689 O TYR B 77 15.884 4.011 0.713 1.00 0.00 O ATOM 2690 CB TYR B 77 14.374 4.965 -1.978 1.00 0.00 C ATOM 2691 CG TYR B 77 13.211 5.459 -2.805 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.317 4.567 -3.383 1.00 0.00 C ATOM 2693 CD2 TYR B 77 13.005 6.818 -3.010 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.254 5.012 -4.144 1.00 0.00 C ATOM 2695 CE2 TYR B 77 11.943 7.272 -3.768 1.00 0.00 C ATOM 2696 CZ TYR B 77 11.069 6.367 -4.332 1.00 0.00 C ATOM 2697 OH TYR B 77 10.011 6.814 -5.088 1.00 0.00 O ATOM 0 H TYR B 77 13.661 6.181 0.069 1.00 0.00 H new ATOM 0 HA TYR B 77 13.159 3.544 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR B 77 15.011 5.811 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR B 77 14.975 4.285 -2.582 1.00 0.00 H new ATOM 0 HD1 TYR B 77 12.456 3.506 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR B 77 13.686 7.531 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR B 77 10.571 4.304 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR B 77 11.798 8.332 -3.918 1.00 0.00 H new ATOM 0 HH TYR B 77 10.023 7.793 -5.121 1.00 0.00 H new ATOM 2707 N LEU B 78 15.311 2.239 -0.544 1.00 0.00 N ATOM 2708 CA LEU B 78 16.408 1.417 -0.051 1.00 0.00 C ATOM 2709 C LEU B 78 16.532 0.133 -0.867 1.00 0.00 C ATOM 2710 O LEU B 78 15.531 -0.493 -1.211 1.00 0.00 O ATOM 2711 CB LEU B 78 16.178 1.082 1.422 1.00 0.00 C ATOM 2712 CG LEU B 78 17.438 0.764 2.230 1.00 0.00 C ATOM 2713 CD1 LEU B 78 17.094 0.629 3.704 1.00 0.00 C ATOM 2714 CD2 LEU B 78 18.106 -0.504 1.721 1.00 0.00 C ATOM 0 H LEU B 78 14.708 1.780 -1.227 1.00 0.00 H new ATOM 0 HA LEU B 78 17.337 1.978 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.668 1.923 1.892 1.00 0.00 H new ATOM 0 HB3 LEU B 78 15.504 0.227 1.481 1.00 0.00 H new ATOM 0 HG LEU B 78 18.141 1.587 2.106 1.00 0.00 H new ATOM 0 HD11 LEU B 78 17.998 0.403 4.269 1.00 0.00 H new ATOM 0 HD12 LEU B 78 16.665 1.564 4.065 1.00 0.00 H new ATOM 0 HD13 LEU B 78 16.372 -0.177 3.837 1.00 0.00 H new ATOM 0 HD21 LEU B 78 18.999 -0.707 2.312 1.00 0.00 H new ATOM 0 HD22 LEU B 78 17.413 -1.341 1.810 1.00 0.00 H new ATOM 0 HD23 LEU B 78 18.385 -0.374 0.675 1.00 0.00 H new ATOM 2726 N GLY B 79 17.767 -0.248 -1.178 1.00 0.00 N ATOM 2727 CA GLY B 79 17.999 -1.454 -1.953 1.00 0.00 C ATOM 2728 C GLY B 79 17.253 -1.443 -3.271 1.00 0.00 C ATOM 2729 O GLY B 79 16.705 -2.461 -3.693 1.00 0.00 O ATOM 0 H GLY B 79 18.611 0.256 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY B 79 19.067 -1.561 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.691 -2.322 -1.371 1.00 0.00 H new ATOM 2733 N GLN B 80 17.232 -0.286 -3.919 1.00 0.00 N ATOM 2734 CA GLN B 80 16.548 -0.132 -5.196 1.00 0.00 C ATOM 2735 C GLN B 80 15.071 -0.498 -5.071 1.00 0.00 C ATOM 2736 O GLN B 80 14.482 -1.058 -5.996 1.00 0.00 O ATOM 2737 CB GLN B 80 17.213 -0.999 -6.269 1.00 0.00 C ATOM 2738 CG GLN B 80 18.651 -0.609 -6.573 1.00 0.00 C ATOM 2739 CD GLN B 80 19.570 -0.771 -5.377 1.00 0.00 C ATOM 2740 OE1 GLN B 80 19.722 -1.869 -4.841 1.00 0.00 O ATOM 2741 NE2 GLN B 80 20.188 0.324 -4.953 1.00 0.00 N ATOM 0 H GLN B 80 17.683 0.563 -3.579 1.00 0.00 H new ATOM 0 HA GLN B 80 16.621 0.915 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN B 80 17.190 -2.040 -5.947 1.00 0.00 H new ATOM 0 HB3 GLN B 80 16.628 -0.936 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN B 80 19.022 -1.220 -7.396 1.00 0.00 H new ATOM 0 HG3 GLN B 80 18.678 0.428 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN B 80 20.033 1.213 -5.427 1.00 0.00 H new ATOM 0 HE22 GLN B 80 20.819 0.276 -4.153 1.00 0.00 H new ATOM 2750 N VAL B 81 14.478 -0.168 -3.928 1.00 0.00 N ATOM 2751 CA VAL B 81 13.068 -0.455 -3.685 1.00 0.00 C ATOM 2752 C VAL B 81 12.506 0.451 -2.594 1.00 0.00 C ATOM 2753 O VAL B 81 13.136 0.654 -1.556 1.00 0.00 O ATOM 2754 CB VAL B 81 12.846 -1.928 -3.283 1.00 0.00 C ATOM 2755 CG1 VAL B 81 13.245 -2.861 -4.416 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.617 -2.264 -2.016 1.00 0.00 C ATOM 0 H VAL B 81 14.952 0.299 -3.155 1.00 0.00 H new ATOM 0 HA VAL B 81 12.543 -0.265 -4.621 1.00 0.00 H new ATOM 0 HB VAL B 81 11.784 -2.068 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL B 81 13.080 -3.895 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.642 -2.642 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL B 81 14.299 -2.716 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL B 81 13.445 -3.307 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.682 -2.103 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL B 81 13.277 -1.623 -1.203 1.00 0.00 H new ATOM 2766 N ALA B 82 11.320 0.996 -2.840 1.00 0.00 N ATOM 2767 CA ALA B 82 10.673 1.887 -1.885 1.00 0.00 C ATOM 2768 C ALA B 82 10.208 1.125 -0.647 1.00 0.00 C ATOM 2769 O ALA B 82 9.643 0.036 -0.752 1.00 0.00 O ATOM 2770 CB ALA B 82 9.502 2.602 -2.541 1.00 0.00 C ATOM 0 H ALA B 82 10.786 0.836 -3.694 1.00 0.00 H new ATOM 0 HA ALA B 82 11.404 2.629 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA B 82 9.028 3.264 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA B 82 9.861 3.188 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA B 82 8.776 1.867 -2.890 1.00 0.00 H new ATOM 2776 N ILE B 83 10.448 1.710 0.522 1.00 0.00 N ATOM 2777 CA ILE B 83 10.052 1.093 1.784 1.00 0.00 C ATOM 2778 C ILE B 83 9.072 1.984 2.542 1.00 0.00 C ATOM 2779 O ILE B 83 9.209 3.207 2.550 1.00 0.00 O ATOM 2780 CB ILE B 83 11.276 0.806 2.677 1.00 0.00 C ATOM 2781 CG1 ILE B 83 12.274 -0.088 1.939 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.844 0.156 3.984 1.00 0.00 C ATOM 2783 CD1 ILE B 83 13.502 -0.428 2.755 1.00 0.00 C ATOM 0 H ILE B 83 10.915 2.611 0.622 1.00 0.00 H new ATOM 0 HA ILE B 83 9.565 0.149 1.541 1.00 0.00 H new ATOM 0 HB ILE B 83 11.764 1.753 2.910 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.775 -1.012 1.647 1.00 0.00 H new ATOM 0 HG13 ILE B 83 12.585 0.410 1.021 1.00 0.00 H new ATOM 0 HG21 ILE B 83 11.721 -0.039 4.601 1.00 0.00 H new ATOM 0 HG22 ILE B 83 10.167 0.824 4.516 1.00 0.00 H new ATOM 0 HG23 ILE B 83 10.334 -0.783 3.772 1.00 0.00 H new ATOM 0 HD11 ILE B 83 14.164 -1.064 2.168 1.00 0.00 H new ATOM 0 HD12 ILE B 83 14.025 0.489 3.025 1.00 0.00 H new ATOM 0 HD13 ILE B 83 13.202 -0.955 3.661 1.00 0.00 H new ATOM 2795 N LEU B 84 8.083 1.363 3.174 1.00 0.00 N ATOM 2796 CA LEU B 84 7.079 2.099 3.933 1.00 0.00 C ATOM 2797 C LEU B 84 6.731 1.370 5.228 1.00 0.00 C ATOM 2798 O LEU B 84 6.620 0.144 5.251 1.00 0.00 O ATOM 2799 CB LEU B 84 5.816 2.293 3.089 1.00 0.00 C ATOM 2800 CG LEU B 84 4.675 3.037 3.788 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.103 4.448 4.158 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.439 3.067 2.902 1.00 0.00 C ATOM 0 H LEU B 84 7.955 0.351 3.176 1.00 0.00 H new ATOM 0 HA LEU B 84 7.494 3.074 4.187 1.00 0.00 H new ATOM 0 HB2 LEU B 84 6.083 2.838 2.184 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.453 1.314 2.776 1.00 0.00 H new ATOM 0 HG LEU B 84 4.428 2.504 4.706 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.278 4.960 4.654 1.00 0.00 H new ATOM 0 HD12 LEU B 84 5.959 4.404 4.831 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.379 4.993 3.255 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.637 3.599 3.414 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.674 3.576 1.967 1.00 0.00 H new ATOM 0 HD23 LEU B 84 3.119 2.047 2.689 1.00 0.00 H new ATOM 2814 N LEU B 85 6.561 2.135 6.302 1.00 0.00 N ATOM 2815 CA LEU B 85 6.228 1.566 7.602 1.00 0.00 C ATOM 2816 C LEU B 85 5.592 2.618 8.504 1.00 0.00 C ATOM 2817 O LEU B 85 6.005 3.779 8.508 1.00 0.00 O ATOM 2818 CB LEU B 85 7.477 0.993 8.273 1.00 0.00 C ATOM 2819 CG LEU B 85 7.230 0.315 9.622 1.00 0.00 C ATOM 2820 CD1 LEU B 85 6.301 -0.877 9.458 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.548 -0.115 10.251 1.00 0.00 C ATOM 0 H LEU B 85 6.649 3.151 6.297 1.00 0.00 H new ATOM 0 HA LEU B 85 5.511 0.760 7.444 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.935 0.270 7.598 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.198 1.798 8.414 1.00 0.00 H new ATOM 0 HG LEU B 85 6.750 1.034 10.287 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.137 -1.347 10.428 1.00 0.00 H new ATOM 0 HD12 LEU B 85 5.347 -0.542 9.051 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.752 -1.599 8.777 1.00 0.00 H new ATOM 0 HD21 LEU B 85 8.354 -0.595 11.210 1.00 0.00 H new ATOM 0 HD22 LEU B 85 9.055 -0.817 9.589 1.00 0.00 H new ATOM 0 HD23 LEU B 85 9.180 0.760 10.405 1.00 0.00 H new ATOM 2833 N PHE B 86 4.577 2.209 9.260 1.00 0.00 N ATOM 2834 CA PHE B 86 3.880 3.123 10.158 1.00 0.00 C ATOM 2835 C PHE B 86 2.800 2.397 10.953 1.00 0.00 C ATOM 2836 O PHE B 86 2.026 1.621 10.392 1.00 0.00 O ATOM 2837 CB PHE B 86 3.254 4.270 9.361 1.00 0.00 C ATOM 2838 CG PHE B 86 2.233 3.823 8.354 1.00 0.00 C ATOM 2839 CD1 PHE B 86 2.608 3.076 7.248 1.00 0.00 C ATOM 2840 CD2 PHE B 86 0.899 4.154 8.512 1.00 0.00 C ATOM 2841 CE1 PHE B 86 1.670 2.670 6.320 1.00 0.00 C ATOM 2842 CE2 PHE B 86 -0.045 3.750 7.588 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.342 3.005 6.490 1.00 0.00 C ATOM 0 H PHE B 86 4.220 1.254 9.268 1.00 0.00 H new ATOM 0 HA PHE B 86 4.610 3.526 10.860 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.785 4.968 10.054 1.00 0.00 H new ATOM 0 HB3 PHE B 86 4.044 4.815 8.845 1.00 0.00 H new ATOM 0 HD1 PHE B 86 3.645 2.809 7.111 1.00 0.00 H new ATOM 0 HD2 PHE B 86 0.592 4.736 9.369 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.975 2.090 5.461 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -1.083 4.016 7.723 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.393 2.686 5.766 1.00 0.00 H new ATOM 2853 N LYS B 87 2.752 2.647 12.260 1.00 0.00 N ATOM 2854 CA LYS B 87 1.759 2.002 13.113 1.00 0.00 C ATOM 2855 C LYS B 87 0.577 2.923 13.394 1.00 0.00 C ATOM 2856 O LYS B 87 0.742 4.130 13.574 1.00 0.00 O ATOM 2857 CB LYS B 87 2.378 1.538 14.431 1.00 0.00 C ATOM 2858 CG LYS B 87 2.830 2.666 15.342 1.00 0.00 C ATOM 2859 CD LYS B 87 3.270 2.134 16.698 1.00 0.00 C ATOM 2860 CE LYS B 87 3.736 3.249 17.617 1.00 0.00 C ATOM 2861 NZ LYS B 87 4.192 2.731 18.938 1.00 0.00 N ATOM 0 H LYS B 87 3.382 3.285 12.746 1.00 0.00 H new ATOM 0 HA LYS B 87 1.395 1.130 12.570 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.651 0.925 14.964 1.00 0.00 H new ATOM 0 HB3 LYS B 87 3.233 0.899 14.212 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.654 3.206 14.875 1.00 0.00 H new ATOM 0 HG3 LYS B 87 2.016 3.379 15.474 1.00 0.00 H new ATOM 0 HD2 LYS B 87 2.442 1.600 17.165 1.00 0.00 H new ATOM 0 HD3 LYS B 87 4.077 1.414 16.562 1.00 0.00 H new ATOM 0 HE2 LYS B 87 4.551 3.794 17.141 1.00 0.00 H new ATOM 0 HE3 LYS B 87 2.922 3.959 17.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 4.291 3.522 19.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 3.493 2.054 19.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 5.110 2.255 18.826 1.00 0.00 H new ATOM 2875 N SER B 88 -0.613 2.337 13.439 1.00 0.00 N ATOM 2876 CA SER B 88 -1.831 3.085 13.706 1.00 0.00 C ATOM 2877 C SER B 88 -2.409 2.703 15.067 1.00 0.00 C ATOM 2878 O SER B 88 -2.538 1.523 15.388 1.00 0.00 O ATOM 2879 CB SER B 88 -2.866 2.824 12.611 1.00 0.00 C ATOM 2880 OG SER B 88 -4.057 3.553 12.849 1.00 0.00 O ATOM 0 H SER B 88 -0.759 1.338 13.293 1.00 0.00 H new ATOM 0 HA SER B 88 -1.584 4.147 13.716 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.453 3.104 11.642 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.091 1.758 12.566 1.00 0.00 H new ATOM 0 HG SER B 88 -4.701 3.370 12.134 1.00 0.00 H new ATOM 2886 N GLY B 89 -2.755 3.711 15.860 1.00 0.00 N ATOM 2887 CA GLY B 89 -3.314 3.460 17.176 1.00 0.00 C ATOM 2888 C GLY B 89 -2.372 2.674 18.065 1.00 0.00 C ATOM 2889 O GLY B 89 -2.684 2.515 19.264 1.00 0.00 O ATOM 2890 OXT GLY B 89 -1.324 2.217 17.564 1.00 0.00 O ATOM 0 H GLY B 89 -2.659 4.697 15.616 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -3.551 4.410 17.654 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -4.251 2.913 17.071 1.00 0.00 H new TER 2894 GLY B 89 ATOM 2895 N MET C 1 -10.017 -9.118 13.361 1.00 0.00 N ATOM 2896 CA MET C 1 -8.777 -8.544 12.771 1.00 0.00 C ATOM 2897 C MET C 1 -8.007 -9.592 11.972 1.00 0.00 C ATOM 2898 O MET C 1 -7.911 -10.750 12.378 1.00 0.00 O ATOM 2899 CB MET C 1 -7.893 -7.988 13.894 1.00 0.00 C ATOM 2900 CG MET C 1 -8.462 -6.753 14.583 1.00 0.00 C ATOM 2901 SD MET C 1 -9.945 -7.098 15.550 1.00 0.00 S ATOM 2902 CE MET C 1 -10.314 -5.470 16.199 1.00 0.00 C ATOM 0 H1 MET C 1 -10.848 -8.708 12.889 1.00 0.00 H new ATOM 0 H2 MET C 1 -10.018 -10.150 13.230 1.00 0.00 H new ATOM 0 H3 MET C 1 -10.052 -8.898 14.377 1.00 0.00 H new ATOM 0 HA MET C 1 -9.057 -7.742 12.087 1.00 0.00 H new ATOM 0 HB2 MET C 1 -7.739 -8.768 14.640 1.00 0.00 H new ATOM 0 HB3 MET C 1 -6.914 -7.742 13.483 1.00 0.00 H new ATOM 0 HG2 MET C 1 -7.701 -6.327 15.237 1.00 0.00 H new ATOM 0 HG3 MET C 1 -8.694 -6.000 13.830 1.00 0.00 H new ATOM 0 HE1 MET C 1 -11.208 -5.520 16.820 1.00 0.00 H new ATOM 0 HE2 MET C 1 -9.475 -5.119 16.799 1.00 0.00 H new ATOM 0 HE3 MET C 1 -10.484 -4.779 15.373 1.00 0.00 H new ATOM 2914 N LYS C 2 -7.460 -9.176 10.835 1.00 0.00 N ATOM 2915 CA LYS C 2 -6.696 -10.076 9.977 1.00 0.00 C ATOM 2916 C LYS C 2 -5.691 -9.295 9.141 1.00 0.00 C ATOM 2917 O LYS C 2 -6.036 -8.298 8.508 1.00 0.00 O ATOM 2918 CB LYS C 2 -7.633 -10.867 9.062 1.00 0.00 C ATOM 2919 CG LYS C 2 -8.633 -11.732 9.812 1.00 0.00 C ATOM 2920 CD LYS C 2 -9.534 -12.498 8.858 1.00 0.00 C ATOM 2921 CE LYS C 2 -8.735 -13.428 7.958 1.00 0.00 C ATOM 2922 NZ LYS C 2 -9.612 -14.195 7.033 1.00 0.00 N ATOM 0 H LYS C 2 -7.531 -8.220 10.485 1.00 0.00 H new ATOM 0 HA LYS C 2 -6.153 -10.774 10.614 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -8.176 -10.170 8.423 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -7.036 -11.502 8.407 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -8.099 -12.434 10.453 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -9.241 -11.105 10.464 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -10.260 -13.078 9.428 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -10.098 -11.795 8.246 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -8.018 -12.845 7.379 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -8.160 -14.122 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -9.029 -14.817 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -10.279 -14.771 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -10.142 -13.534 6.429 1.00 0.00 H new ATOM 2936 N ASP C 3 -4.442 -9.748 9.160 1.00 0.00 N ATOM 2937 CA ASP C 3 -3.382 -9.082 8.416 1.00 0.00 C ATOM 2938 C ASP C 3 -3.388 -9.478 6.941 1.00 0.00 C ATOM 2939 O ASP C 3 -3.173 -10.641 6.599 1.00 0.00 O ATOM 2940 CB ASP C 3 -2.022 -9.406 9.034 1.00 0.00 C ATOM 2941 CG ASP C 3 -1.725 -10.893 9.028 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -2.500 -11.656 9.642 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -0.715 -11.294 8.413 1.00 0.00 O ATOM 0 H ASP C 3 -4.141 -10.571 9.681 1.00 0.00 H new ATOM 0 HA ASP C 3 -3.564 -8.009 8.474 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -1.241 -8.880 8.484 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -1.994 -9.037 10.059 1.00 0.00 H new ATOM 2948 N THR C 4 -3.613 -8.497 6.070 1.00 0.00 N ATOM 2949 CA THR C 4 -3.622 -8.731 4.637 1.00 0.00 C ATOM 2950 C THR C 4 -2.196 -8.910 4.126 1.00 0.00 C ATOM 2951 O THR C 4 -1.282 -8.220 4.576 1.00 0.00 O ATOM 2952 CB THR C 4 -4.292 -7.560 3.919 1.00 0.00 C ATOM 2953 OG1 THR C 4 -4.466 -7.851 2.543 1.00 0.00 O ATOM 2954 CG2 THR C 4 -3.509 -6.268 4.016 1.00 0.00 C ATOM 0 H THR C 4 -3.792 -7.529 6.338 1.00 0.00 H new ATOM 0 HA THR C 4 -4.187 -9.641 4.432 1.00 0.00 H new ATOM 0 HB THR C 4 -5.250 -7.424 4.422 1.00 0.00 H new ATOM 0 HG1 THR C 4 -5.423 -7.895 2.336 1.00 0.00 H new ATOM 0 HG21 THR C 4 -4.042 -5.479 3.485 1.00 0.00 H new ATOM 0 HG22 THR C 4 -3.397 -5.988 5.064 1.00 0.00 H new ATOM 0 HG23 THR C 4 -2.524 -6.405 3.570 1.00 0.00 H new ATOM 2962 N GLY C 5 -2.010 -9.830 3.190 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.685 -10.067 2.647 1.00 0.00 C ATOM 2964 C GLY C 5 -0.699 -10.230 1.143 1.00 0.00 C ATOM 2965 O GLY C 5 -1.537 -10.947 0.598 1.00 0.00 O ATOM 0 H GLY C 5 -2.748 -10.415 2.798 1.00 0.00 H new ATOM 0 HA2 GLY C 5 -0.032 -9.236 2.914 1.00 0.00 H new ATOM 0 HA3 GLY C 5 -0.263 -10.963 3.103 1.00 0.00 H new ATOM 2969 N ILE C 6 0.231 -9.562 0.467 1.00 0.00 N ATOM 2970 CA ILE C 6 0.311 -9.641 -0.985 1.00 0.00 C ATOM 2971 C ILE C 6 1.714 -9.323 -1.491 1.00 0.00 C ATOM 2972 O ILE C 6 2.577 -8.874 -0.735 1.00 0.00 O ATOM 2973 CB ILE C 6 -0.693 -8.690 -1.667 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -0.386 -7.238 -1.299 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.119 -9.050 -1.277 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -1.238 -6.239 -2.049 1.00 0.00 C ATOM 0 H ILE C 6 0.935 -8.964 0.899 1.00 0.00 H new ATOM 0 HA ILE C 6 0.061 -10.669 -1.246 1.00 0.00 H new ATOM 0 HB ILE C 6 -0.595 -8.801 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -0.537 -7.102 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE C 6 0.665 -7.033 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -2.814 -8.368 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -2.334 -10.073 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.232 -8.968 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -0.970 -5.228 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -1.070 -6.349 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -2.290 -6.419 -1.827 1.00 0.00 H new ATOM 2988 N GLN C 7 1.927 -9.566 -2.780 1.00 0.00 N ATOM 2989 CA GLN C 7 3.218 -9.321 -3.412 1.00 0.00 C ATOM 2990 C GLN C 7 3.047 -9.155 -4.918 1.00 0.00 C ATOM 2991 O GLN C 7 3.449 -10.016 -5.700 1.00 0.00 O ATOM 2992 CB GLN C 7 4.183 -10.470 -3.118 1.00 0.00 C ATOM 2993 CG GLN C 7 5.562 -10.282 -3.733 1.00 0.00 C ATOM 2994 CD GLN C 7 6.464 -11.484 -3.523 1.00 0.00 C ATOM 2995 OE1 GLN C 7 6.747 -11.872 -2.390 1.00 0.00 O ATOM 2996 NE2 GLN C 7 6.918 -12.081 -4.619 1.00 0.00 N ATOM 0 H GLN C 7 1.216 -9.935 -3.411 1.00 0.00 H new ATOM 0 HA GLN C 7 3.634 -8.401 -3.001 1.00 0.00 H new ATOM 0 HB2 GLN C 7 4.288 -10.578 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN C 7 3.752 -11.399 -3.491 1.00 0.00 H new ATOM 0 HG2 GLN C 7 5.457 -10.094 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN C 7 6.032 -9.400 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN C 7 6.658 -11.725 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN C 7 7.527 -12.895 -4.541 1.00 0.00 H new ATOM 3005 N VAL C 8 2.434 -8.047 -5.317 1.00 0.00 N ATOM 3006 CA VAL C 8 2.194 -7.770 -6.727 1.00 0.00 C ATOM 3007 C VAL C 8 3.497 -7.474 -7.465 1.00 0.00 C ATOM 3008 O VAL C 8 4.398 -6.831 -6.929 1.00 0.00 O ATOM 3009 CB VAL C 8 1.227 -6.586 -6.908 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.941 -6.341 -8.384 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.063 -6.832 -6.143 1.00 0.00 C ATOM 0 H VAL C 8 2.094 -7.325 -4.682 1.00 0.00 H new ATOM 0 HA VAL C 8 1.742 -8.666 -7.152 1.00 0.00 H new ATOM 0 HB VAL C 8 1.701 -5.692 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL C 8 0.255 -5.500 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL C 8 1.873 -6.115 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.490 -7.232 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.735 -5.985 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.540 -7.739 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL C 8 0.160 -6.949 -5.082 1.00 0.00 H new ATOM 3021 N ASP C 9 3.583 -7.954 -8.700 1.00 0.00 N ATOM 3022 C ASP C 9 4.547 -8.352 -10.909 1.00 0.00 C ATOM 3023 O ASP C 9 5.443 -8.974 -11.480 1.00 0.00 O ATOM 3024 CB ASP C 9 5.993 -8.382 -8.865 1.00 0.00 C ATOM 3025 CG ASP C 9 7.271 -8.125 -9.642 1.00 0.00 C ATOM 3026 OD1 ASP C 9 8.336 -8.611 -9.207 1.00 0.00 O ATOM 3027 OD2 ASP C 9 7.208 -7.437 -10.682 1.00 0.00 O ATOM 3032 N ARG C 10 3.344 -8.162 -11.442 1.00 0.00 N ATOM 3033 CA ARG C 10 3.002 -8.687 -12.758 1.00 0.00 C ATOM 3034 C ARG C 10 3.338 -7.687 -13.858 1.00 0.00 C ATOM 3035 O ARG C 10 3.873 -8.054 -14.904 1.00 0.00 O ATOM 3036 CB ARG C 10 1.516 -9.057 -12.822 1.00 0.00 C ATOM 3037 CG ARG C 10 0.580 -7.885 -12.570 1.00 0.00 C ATOM 3038 CD ARG C 10 -0.866 -8.256 -12.857 1.00 0.00 C ATOM 3039 NE ARG C 10 -1.745 -7.089 -12.829 1.00 0.00 N ATOM 3040 CZ ARG C 10 -3.047 -7.137 -13.105 1.00 0.00 C ATOM 3041 NH1 ARG C 10 -3.628 -8.290 -13.404 1.00 0.00 N ATOM 3042 NH2 ARG C 10 -3.768 -6.023 -13.079 1.00 0.00 N ATOM 0 H ARG C 10 2.591 -7.649 -10.983 1.00 0.00 H new ATOM 0 HA ARG C 10 3.598 -9.585 -12.920 1.00 0.00 H new ATOM 0 HB2 ARG C 10 1.298 -9.479 -13.803 1.00 0.00 H new ATOM 0 HB3 ARG C 10 1.313 -9.836 -12.087 1.00 0.00 H new ATOM 0 HG2 ARG C 10 0.674 -7.559 -11.534 1.00 0.00 H new ATOM 0 HG3 ARG C 10 0.872 -7.043 -13.197 1.00 0.00 H new ATOM 0 HD2 ARG C 10 -0.931 -8.735 -13.834 1.00 0.00 H new ATOM 0 HD3 ARG C 10 -1.207 -8.984 -12.121 1.00 0.00 H new ATOM 0 HE ARG C 10 -1.338 -6.186 -12.584 1.00 0.00 H new ATOM 0 HH11 ARG C 10 -3.077 -9.148 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG C 10 -4.626 -8.319 -13.614 1.00 0.00 H new ATOM 0 HH21 ARG C 10 -3.325 -5.134 -12.848 1.00 0.00 H new ATOM 0 HH22 ARG C 10 -4.765 -6.056 -13.290 1.00 0.00 H new ATOM 3056 N ASP C 11 3.015 -6.422 -13.616 1.00 0.00 N ATOM 3057 CA ASP C 11 3.274 -5.364 -14.589 1.00 0.00 C ATOM 3058 C ASP C 11 2.566 -5.652 -15.901 1.00 0.00 C ATOM 3059 O ASP C 11 3.088 -5.350 -16.974 1.00 0.00 O ATOM 3060 CB ASP C 11 4.778 -5.216 -14.824 1.00 0.00 C ATOM 3061 CG ASP C 11 5.530 -4.865 -13.554 1.00 0.00 C ATOM 3062 OD1 ASP C 11 5.475 -5.658 -12.594 1.00 0.00 O ATOM 3063 OD2 ASP C 11 6.174 -3.794 -13.524 1.00 0.00 O ATOM 0 H ASP C 11 2.573 -6.102 -12.754 1.00 0.00 H new ATOM 0 HA ASP C 11 2.885 -4.429 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP C 11 5.173 -6.147 -15.231 1.00 0.00 H new ATOM 0 HB3 ASP C 11 4.952 -4.442 -15.572 1.00 0.00 H new ATOM 3068 N LEU C 12 1.376 -6.242 -15.809 1.00 0.00 N ATOM 3069 CA LEU C 12 0.587 -6.586 -16.988 1.00 0.00 C ATOM 3070 C LEU C 12 1.267 -7.685 -17.803 1.00 0.00 C ATOM 3071 O LEU C 12 0.597 -8.544 -18.373 1.00 0.00 O ATOM 3072 CB LEU C 12 0.346 -5.351 -17.863 1.00 0.00 C ATOM 3073 CG LEU C 12 -0.512 -4.257 -17.225 1.00 0.00 C ATOM 3074 CD1 LEU C 12 0.149 -3.724 -15.963 1.00 0.00 C ATOM 3075 CD2 LEU C 12 -0.759 -3.130 -18.215 1.00 0.00 C ATOM 0 H LEU C 12 0.936 -6.493 -14.924 1.00 0.00 H new ATOM 0 HA LEU C 12 -0.377 -6.961 -16.643 1.00 0.00 H new ATOM 0 HB2 LEU C 12 1.311 -4.922 -18.132 1.00 0.00 H new ATOM 0 HB3 LEU C 12 -0.131 -5.670 -18.790 1.00 0.00 H new ATOM 0 HG LEU C 12 -1.473 -4.691 -16.950 1.00 0.00 H new ATOM 0 HD11 LEU C 12 -0.477 -2.947 -15.525 1.00 0.00 H new ATOM 0 HD12 LEU C 12 0.274 -4.536 -15.247 1.00 0.00 H new ATOM 0 HD13 LEU C 12 1.125 -3.306 -16.212 1.00 0.00 H new ATOM 0 HD21 LEU C 12 -1.371 -2.360 -17.745 1.00 0.00 H new ATOM 0 HD22 LEU C 12 0.194 -2.699 -18.521 1.00 0.00 H new ATOM 0 HD23 LEU C 12 -1.278 -3.522 -19.090 1.00 0.00 H new ATOM 3087 N ASP C 13 2.598 -7.653 -17.848 1.00 0.00 N ATOM 3088 CA ASP C 13 3.378 -8.646 -18.590 1.00 0.00 C ATOM 3089 C ASP C 13 3.186 -8.503 -20.100 1.00 0.00 C ATOM 3090 O ASP C 13 4.157 -8.353 -20.842 1.00 0.00 O ATOM 3091 CB ASP C 13 3.001 -10.063 -18.147 1.00 0.00 C ATOM 3092 CG ASP C 13 3.830 -11.126 -18.841 1.00 0.00 C ATOM 3093 OD1 ASP C 13 3.780 -11.198 -20.087 1.00 0.00 O ATOM 3094 OD2 ASP C 13 4.528 -11.887 -18.139 1.00 0.00 O ATOM 0 H ASP C 13 3.163 -6.946 -17.377 1.00 0.00 H new ATOM 0 HA ASP C 13 4.430 -8.467 -18.367 1.00 0.00 H new ATOM 0 HB2 ASP C 13 3.132 -10.150 -17.068 1.00 0.00 H new ATOM 0 HB3 ASP C 13 1.945 -10.237 -18.355 1.00 0.00 H new ATOM 3099 N GLY C 14 1.935 -8.552 -20.552 1.00 0.00 N ATOM 3100 CA GLY C 14 1.657 -8.432 -21.969 1.00 0.00 C ATOM 3101 C GLY C 14 0.170 -8.366 -22.263 1.00 0.00 C ATOM 3102 O GLY C 14 -0.540 -7.521 -21.717 1.00 0.00 O ATOM 0 H GLY C 14 1.112 -8.672 -19.962 1.00 0.00 H new ATOM 0 HA2 GLY C 14 2.141 -7.536 -22.357 1.00 0.00 H new ATOM 0 HA3 GLY C 14 2.091 -9.282 -22.495 1.00 0.00 H new ATOM 3106 N LYS C 15 -0.302 -9.260 -23.125 1.00 0.00 N ATOM 3107 CA LYS C 15 -1.714 -9.302 -23.488 1.00 0.00 C ATOM 3108 C LYS C 15 -2.587 -9.486 -22.250 1.00 0.00 C ATOM 3109 O LYS C 15 -3.664 -8.899 -22.146 1.00 0.00 O ATOM 3110 CB LYS C 15 -1.992 -10.426 -24.494 1.00 0.00 C ATOM 3111 CG LYS C 15 -1.564 -10.108 -25.923 1.00 0.00 C ATOM 3112 CD LYS C 15 -0.049 -10.080 -26.101 1.00 0.00 C ATOM 3113 CE LYS C 15 0.542 -11.481 -26.227 1.00 0.00 C ATOM 3114 NZ LYS C 15 0.360 -12.297 -24.994 1.00 0.00 N ATOM 0 H LYS C 15 0.273 -9.966 -23.586 1.00 0.00 H new ATOM 0 HA LYS C 15 -1.962 -8.349 -23.955 1.00 0.00 H new ATOM 0 HB2 LYS C 15 -1.477 -11.328 -24.165 1.00 0.00 H new ATOM 0 HB3 LYS C 15 -3.059 -10.648 -24.487 1.00 0.00 H new ATOM 0 HG2 LYS C 15 -1.990 -10.851 -26.597 1.00 0.00 H new ATOM 0 HG3 LYS C 15 -1.976 -9.141 -26.213 1.00 0.00 H new ATOM 0 HD2 LYS C 15 0.200 -9.501 -26.990 1.00 0.00 H new ATOM 0 HD3 LYS C 15 0.406 -9.571 -25.251 1.00 0.00 H new ATOM 0 HE2 LYS C 15 0.075 -11.993 -27.068 1.00 0.00 H new ATOM 0 HE3 LYS C 15 1.606 -11.403 -26.452 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 1.056 -13.070 -24.983 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 0.497 -11.696 -24.156 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 -0.600 -12.696 -24.980 1.00 0.00 H new ATOM 3128 N SER C 16 -2.116 -10.305 -21.315 1.00 0.00 N ATOM 3129 CA SER C 16 -2.854 -10.564 -20.086 1.00 0.00 C ATOM 3130 C SER C 16 -2.005 -11.355 -19.097 1.00 0.00 C ATOM 3131 O SER C 16 -1.341 -12.325 -19.467 1.00 0.00 O ATOM 3132 CB SER C 16 -4.144 -11.328 -20.392 1.00 0.00 C ATOM 3133 OG SER C 16 -3.866 -12.573 -21.009 1.00 0.00 O ATOM 0 H SER C 16 -1.227 -10.800 -21.386 1.00 0.00 H new ATOM 0 HA SER C 16 -3.106 -9.604 -19.635 1.00 0.00 H new ATOM 0 HB2 SER C 16 -4.700 -11.492 -19.469 1.00 0.00 H new ATOM 0 HB3 SER C 16 -4.779 -10.729 -21.045 1.00 0.00 H new ATOM 0 HG SER C 16 -4.707 -13.042 -21.193 1.00 0.00 H new ATOM 3139 N HIS C 17 -2.024 -10.931 -17.837 1.00 0.00 N ATOM 3140 CA HIS C 17 -1.254 -11.595 -16.790 1.00 0.00 C ATOM 3141 C HIS C 17 -1.582 -13.084 -16.727 1.00 0.00 C ATOM 3142 O HIS C 17 -2.747 -13.476 -16.776 1.00 0.00 O ATOM 3143 CB HIS C 17 -1.523 -10.943 -15.431 1.00 0.00 C ATOM 3144 CG HIS C 17 -2.932 -11.113 -14.945 1.00 0.00 C ATOM 3145 ND1 HIS C 17 -4.031 -10.606 -15.609 1.00 0.00 N ATOM 3146 CD2 HIS C 17 -3.416 -11.743 -13.848 1.00 0.00 C ATOM 3147 CE1 HIS C 17 -5.128 -10.917 -14.941 1.00 0.00 C ATOM 3148 NE2 HIS C 17 -4.783 -11.606 -13.870 1.00 0.00 N ATOM 0 H HIS C 17 -2.566 -10.129 -17.516 1.00 0.00 H new ATOM 0 HA HIS C 17 -0.197 -11.486 -17.033 1.00 0.00 H new ATOM 0 HB2 HIS C 17 -0.841 -11.367 -14.694 1.00 0.00 H new ATOM 0 HB3 HIS C 17 -1.298 -9.879 -15.498 1.00 0.00 H new ATOM 0 HD2 HIS C 17 -2.836 -12.257 -13.096 1.00 0.00 H new ATOM 0 HE1 HIS C 17 -6.136 -10.652 -15.224 1.00 0.00 H new ATOM 0 HE2 HIS C 17 -5.427 -11.977 -13.171 1.00 0.00 H new ATOM 3157 N LYS C 18 -0.541 -13.908 -16.623 1.00 0.00 N ATOM 3158 CA LYS C 18 -0.700 -15.361 -16.555 1.00 0.00 C ATOM 3159 C LYS C 18 -1.688 -15.865 -17.606 1.00 0.00 C ATOM 3160 O LYS C 18 -1.234 -16.227 -18.713 1.00 0.00 O ATOM 3161 CB LYS C 18 -1.141 -15.794 -15.151 1.00 0.00 C ATOM 3162 CG LYS C 18 -2.398 -15.102 -14.641 1.00 0.00 C ATOM 3163 CD LYS C 18 -2.803 -15.628 -13.274 1.00 0.00 C ATOM 3164 CE LYS C 18 -4.069 -14.955 -12.769 1.00 0.00 C ATOM 3165 NZ LYS C 18 -4.481 -15.475 -11.436 1.00 0.00 N ATOM 3166 OXT LYS C 18 -2.901 -15.896 -17.319 1.00 0.00 O ATOM 0 H LYS C 18 0.428 -13.592 -16.584 1.00 0.00 H new ATOM 0 HA LYS C 18 0.271 -15.809 -16.768 1.00 0.00 H new ATOM 0 HB2 LYS C 18 -1.310 -16.871 -15.153 1.00 0.00 H new ATOM 0 HB3 LYS C 18 -0.327 -15.601 -14.453 1.00 0.00 H new ATOM 0 HG2 LYS C 18 -2.226 -14.027 -14.583 1.00 0.00 H new ATOM 0 HG3 LYS C 18 -3.213 -15.256 -15.348 1.00 0.00 H new ATOM 0 HD2 LYS C 18 -2.960 -16.705 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS C 18 -1.993 -15.460 -12.564 1.00 0.00 H new ATOM 0 HE2 LYS C 18 -3.907 -13.879 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS C 18 -4.875 -15.114 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS C 18 -5.423 -15.106 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS C 18 -4.513 -16.514 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS C 18 -3.795 -15.168 -10.717 1.00 0.00 H new TER 3180 LYS C 18 ATOM 3181 N MET D 1 -8.121 13.377 10.557 1.00 0.00 N ATOM 3182 CA MET D 1 -7.265 14.504 10.104 1.00 0.00 C ATOM 3183 C MET D 1 -5.850 14.034 9.781 1.00 0.00 C ATOM 3184 O MET D 1 -4.868 14.650 10.195 1.00 0.00 O ATOM 3185 CB MET D 1 -7.229 15.583 11.196 1.00 0.00 C ATOM 3186 CG MET D 1 -6.649 15.112 12.524 1.00 0.00 C ATOM 3187 SD MET D 1 -7.779 14.055 13.453 1.00 0.00 S ATOM 3188 CE MET D 1 -6.797 13.705 14.908 1.00 0.00 C ATOM 0 H1 MET D 1 -9.117 13.676 10.557 1.00 0.00 H new ATOM 0 H2 MET D 1 -8.002 12.570 9.912 1.00 0.00 H new ATOM 0 H3 MET D 1 -7.844 13.096 11.519 1.00 0.00 H new ATOM 0 HA MET D 1 -7.691 14.918 9.190 1.00 0.00 H new ATOM 0 HB2 MET D 1 -6.642 16.428 10.836 1.00 0.00 H new ATOM 0 HB3 MET D 1 -8.243 15.947 11.364 1.00 0.00 H new ATOM 0 HG2 MET D 1 -5.723 14.568 12.337 1.00 0.00 H new ATOM 0 HG3 MET D 1 -6.392 15.981 13.130 1.00 0.00 H new ATOM 0 HE1 MET D 1 -7.324 12.990 15.539 1.00 0.00 H new ATOM 0 HE2 MET D 1 -5.837 13.285 14.607 1.00 0.00 H new ATOM 0 HE3 MET D 1 -6.631 14.627 15.465 1.00 0.00 H new ATOM 3200 N LYS D 2 -5.751 12.941 9.027 1.00 0.00 N ATOM 3201 CA LYS D 2 -4.459 12.393 8.638 1.00 0.00 C ATOM 3202 C LYS D 2 -4.637 11.358 7.536 1.00 0.00 C ATOM 3203 O LYS D 2 -5.494 10.478 7.629 1.00 0.00 O ATOM 3204 CB LYS D 2 -3.746 11.766 9.842 1.00 0.00 C ATOM 3205 CG LYS D 2 -4.406 10.500 10.366 1.00 0.00 C ATOM 3206 CD LYS D 2 -5.749 10.778 11.022 1.00 0.00 C ATOM 3207 CE LYS D 2 -5.601 11.694 12.225 1.00 0.00 C ATOM 3208 NZ LYS D 2 -4.666 11.133 13.238 1.00 0.00 N ATOM 0 H LYS D 2 -6.553 12.419 8.674 1.00 0.00 H new ATOM 0 HA LYS D 2 -3.842 13.209 8.262 1.00 0.00 H new ATOM 0 HB2 LYS D 2 -2.717 11.537 9.563 1.00 0.00 H new ATOM 0 HB3 LYS D 2 -3.702 12.500 10.647 1.00 0.00 H new ATOM 0 HG2 LYS D 2 -4.544 9.798 9.544 1.00 0.00 H new ATOM 0 HG3 LYS D 2 -3.744 10.020 11.087 1.00 0.00 H new ATOM 0 HD2 LYS D 2 -6.422 11.234 10.296 1.00 0.00 H new ATOM 0 HD3 LYS D 2 -6.205 9.838 11.333 1.00 0.00 H new ATOM 0 HE2 LYS D 2 -5.239 12.668 11.897 1.00 0.00 H new ATOM 0 HE3 LYS D 2 -6.578 11.854 12.682 1.00 0.00 H new ATOM 0 HZ1 LYS D 2 -5.048 11.296 14.191 1.00 0.00 H new ATOM 0 HZ2 LYS D 2 -4.555 10.111 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS D 2 -3.740 11.599 13.152 1.00 0.00 H new ATOM 3222 N ASP D 3 -3.827 11.470 6.491 1.00 0.00 N ATOM 3223 CA ASP D 3 -3.910 10.541 5.374 1.00 0.00 C ATOM 3224 C ASP D 3 -2.662 10.611 4.501 1.00 0.00 C ATOM 3225 O ASP D 3 -2.470 11.569 3.751 1.00 0.00 O ATOM 3226 CB ASP D 3 -5.150 10.839 4.529 1.00 0.00 C ATOM 3227 CG ASP D 3 -5.136 12.243 3.956 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -5.094 13.208 4.749 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -5.169 12.378 2.715 1.00 0.00 O ATOM 0 H ASP D 3 -3.111 12.190 6.394 1.00 0.00 H new ATOM 0 HA ASP D 3 -3.985 9.534 5.783 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -5.213 10.118 3.714 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -6.043 10.708 5.140 1.00 0.00 H new ATOM 3234 N THR D 4 -1.824 9.582 4.590 1.00 0.00 N ATOM 3235 CA THR D 4 -0.611 9.518 3.800 1.00 0.00 C ATOM 3236 C THR D 4 -0.956 9.295 2.334 1.00 0.00 C ATOM 3237 O THR D 4 -1.959 8.658 2.017 1.00 0.00 O ATOM 3238 CB THR D 4 0.285 8.390 4.308 1.00 0.00 C ATOM 3239 OG1 THR D 4 1.565 8.455 3.702 1.00 0.00 O ATOM 3240 CG2 THR D 4 -0.275 7.010 4.039 1.00 0.00 C ATOM 0 H THR D 4 -1.969 8.781 5.205 1.00 0.00 H new ATOM 0 HA THR D 4 -0.075 10.462 3.896 1.00 0.00 H new ATOM 0 HB THR D 4 0.347 8.537 5.386 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.082 7.658 3.943 1.00 0.00 H new ATOM 0 HG21 THR D 4 0.412 6.257 4.426 1.00 0.00 H new ATOM 0 HG22 THR D 4 -1.242 6.907 4.532 1.00 0.00 H new ATOM 0 HG23 THR D 4 -0.399 6.871 2.965 1.00 0.00 H new ATOM 3248 N GLY D 5 -0.128 9.819 1.443 1.00 0.00 N ATOM 3249 CA GLY D 5 -0.376 9.657 0.026 1.00 0.00 C ATOM 3250 C GLY D 5 0.895 9.700 -0.787 1.00 0.00 C ATOM 3251 O GLY D 5 1.703 10.617 -0.639 1.00 0.00 O ATOM 0 H GLY D 5 0.710 10.353 1.675 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.882 8.707 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -1.049 10.443 -0.315 1.00 0.00 H new ATOM 3255 N ILE D 6 1.078 8.706 -1.648 1.00 0.00 N ATOM 3256 CA ILE D 6 2.270 8.640 -2.482 1.00 0.00 C ATOM 3257 C ILE D 6 2.058 7.752 -3.703 1.00 0.00 C ATOM 3258 O ILE D 6 1.518 6.651 -3.602 1.00 0.00 O ATOM 3259 CB ILE D 6 3.493 8.139 -1.683 1.00 0.00 C ATOM 3260 CG1 ILE D 6 3.134 6.916 -0.834 1.00 0.00 C ATOM 3261 CG2 ILE D 6 4.050 9.250 -0.804 1.00 0.00 C ATOM 3262 CD1 ILE D 6 2.991 5.638 -1.629 1.00 0.00 C ATOM 0 H ILE D 6 0.420 7.939 -1.786 1.00 0.00 H new ATOM 0 HA ILE D 6 2.465 9.657 -2.823 1.00 0.00 H new ATOM 0 HB ILE D 6 4.261 7.842 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE D 6 3.903 6.775 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE D 6 2.199 7.112 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE D 6 4.911 8.878 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.356 10.089 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.282 9.580 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE D 6 2.736 4.818 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE D 6 2.202 5.758 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE D 6 3.932 5.415 -2.132 1.00 0.00 H new ATOM 3274 N GLN D 7 2.490 8.248 -4.858 1.00 0.00 N ATOM 3275 CA GLN D 7 2.362 7.516 -6.113 1.00 0.00 C ATOM 3276 C GLN D 7 3.732 7.053 -6.603 1.00 0.00 C ATOM 3277 O GLN D 7 4.280 7.607 -7.556 1.00 0.00 O ATOM 3278 CB GLN D 7 1.691 8.391 -7.177 1.00 0.00 C ATOM 3279 CG GLN D 7 2.385 9.726 -7.400 1.00 0.00 C ATOM 3280 CD GLN D 7 1.795 10.503 -8.563 1.00 0.00 C ATOM 3281 OE1 GLN D 7 0.610 10.831 -8.568 1.00 0.00 O ATOM 3282 NE2 GLN D 7 2.626 10.800 -9.556 1.00 0.00 N ATOM 0 H GLN D 7 2.935 9.161 -4.951 1.00 0.00 H new ATOM 0 HA GLN D 7 1.739 6.639 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.664 7.844 -8.120 1.00 0.00 H new ATOM 0 HB3 GLN D 7 0.657 8.574 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN D 7 2.312 10.326 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN D 7 3.446 9.554 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN D 7 3.602 10.507 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN D 7 2.288 11.321 -10.365 1.00 0.00 H new ATOM 3291 N VAL D 8 4.287 6.048 -5.940 1.00 0.00 N ATOM 3292 CA VAL D 8 5.600 5.532 -6.305 1.00 0.00 C ATOM 3293 C VAL D 8 5.564 4.811 -7.650 1.00 0.00 C ATOM 3294 O VAL D 8 4.705 3.963 -7.892 1.00 0.00 O ATOM 3295 CB VAL D 8 6.134 4.565 -5.232 1.00 0.00 C ATOM 3296 CG1 VAL D 8 7.557 4.132 -5.553 1.00 0.00 C ATOM 3297 CG2 VAL D 8 6.058 5.207 -3.856 1.00 0.00 C ATOM 0 H VAL D 8 3.851 5.575 -5.149 1.00 0.00 H new ATOM 0 HA VAL D 8 6.266 6.392 -6.381 1.00 0.00 H new ATOM 0 HB VAL D 8 5.507 3.673 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL D 8 7.913 3.449 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.575 3.628 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.205 5.008 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL D 8 6.439 4.511 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL D 8 6.659 6.116 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL D 8 5.022 5.454 -3.627 1.00 0.00 H new ATOM 3307 N ASP D 9 6.508 5.158 -8.521 1.00 0.00 N ATOM 3308 CA ASP D 9 6.600 4.553 -9.845 1.00 0.00 C ATOM 3309 C ASP D 9 8.021 4.676 -10.389 1.00 0.00 C ATOM 3310 O ASP D 9 8.224 4.860 -11.589 1.00 0.00 O ATOM 3311 CB ASP D 9 5.622 5.219 -10.821 1.00 0.00 C ATOM 3312 CG ASP D 9 4.171 5.086 -10.393 1.00 0.00 C ATOM 3313 OD1 ASP D 9 3.789 5.708 -9.380 1.00 0.00 O ATOM 3314 OD2 ASP D 9 3.418 4.359 -11.073 1.00 0.00 O ATOM 0 H ASP D 9 7.224 5.859 -8.331 1.00 0.00 H new ATOM 0 HA ASP D 9 6.339 3.499 -9.749 1.00 0.00 H new ATOM 0 HB2 ASP D 9 5.872 6.276 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP D 9 5.745 4.776 -11.809 1.00 0.00 H new ATOM 3319 N ARG D 10 8.999 4.576 -9.495 1.00 0.00 N ATOM 3320 CA ARG D 10 10.402 4.678 -9.881 1.00 0.00 C ATOM 3321 C ARG D 10 10.913 3.344 -10.424 1.00 0.00 C ATOM 3322 O ARG D 10 10.840 2.320 -9.747 1.00 0.00 O ATOM 3323 CB ARG D 10 11.242 5.120 -8.680 1.00 0.00 C ATOM 3324 CG ARG D 10 12.706 5.359 -9.005 1.00 0.00 C ATOM 3325 CD ARG D 10 13.478 5.838 -7.784 1.00 0.00 C ATOM 3326 NE ARG D 10 12.988 7.124 -7.298 1.00 0.00 N ATOM 3327 CZ ARG D 10 13.511 7.772 -6.258 1.00 0.00 C ATOM 3328 NH1 ARG D 10 14.536 7.255 -5.594 1.00 0.00 N ATOM 3329 NH2 ARG D 10 13.005 8.937 -5.882 1.00 0.00 N ATOM 0 H ARG D 10 8.846 4.424 -8.498 1.00 0.00 H new ATOM 0 HA ARG D 10 10.492 5.423 -10.671 1.00 0.00 H new ATOM 0 HB2 ARG D 10 10.817 6.036 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG D 10 11.173 4.360 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG D 10 13.152 4.438 -9.380 1.00 0.00 H new ATOM 0 HG3 ARG D 10 12.787 6.099 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG D 10 13.398 5.096 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG D 10 14.535 5.924 -8.034 1.00 0.00 H new ATOM 0 HE ARG D 10 12.199 7.552 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG D 10 14.928 6.357 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG D 10 14.933 7.755 -4.798 1.00 0.00 H new ATOM 0 HH21 ARG D 10 12.215 9.337 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG D 10 13.405 9.434 -5.086 1.00 0.00 H new ATOM 3343 N ASP D 11 11.427 3.363 -11.653 1.00 0.00 N ATOM 3344 CA ASP D 11 11.945 2.154 -12.286 1.00 0.00 C ATOM 3345 C ASP D 11 13.448 2.028 -12.092 1.00 0.00 C ATOM 3346 O ASP D 11 14.152 1.521 -12.964 1.00 0.00 O ATOM 3347 CB ASP D 11 11.602 2.151 -13.778 1.00 0.00 C ATOM 3348 CG ASP D 11 12.022 0.869 -14.470 1.00 0.00 C ATOM 3349 OD1 ASP D 11 11.533 -0.209 -14.069 1.00 0.00 O ATOM 3350 OD2 ASP D 11 12.840 0.941 -15.411 1.00 0.00 O ATOM 0 H ASP D 11 11.495 4.202 -12.229 1.00 0.00 H new ATOM 0 HA ASP D 11 11.472 1.296 -11.809 1.00 0.00 H new ATOM 0 HB2 ASP D 11 10.528 2.291 -13.900 1.00 0.00 H new ATOM 0 HB3 ASP D 11 12.091 2.997 -14.261 1.00 0.00 H new ATOM 3355 N LEU D 12 13.936 2.490 -10.945 1.00 0.00 N ATOM 3356 CA LEU D 12 15.362 2.432 -10.633 1.00 0.00 C ATOM 3357 C LEU D 12 16.176 3.329 -11.568 1.00 0.00 C ATOM 3358 O LEU D 12 17.171 3.923 -11.155 1.00 0.00 O ATOM 3359 CB LEU D 12 15.878 0.990 -10.710 1.00 0.00 C ATOM 3360 CG LEU D 12 15.300 0.034 -9.665 1.00 0.00 C ATOM 3361 CD1 LEU D 12 13.793 -0.085 -9.818 1.00 0.00 C ATOM 3362 CD2 LEU D 12 15.958 -1.333 -9.777 1.00 0.00 C ATOM 0 H LEU D 12 13.363 2.910 -10.213 1.00 0.00 H new ATOM 0 HA LEU D 12 15.487 2.798 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU D 12 15.658 0.595 -11.702 1.00 0.00 H new ATOM 0 HB3 LEU D 12 16.963 1.003 -10.606 1.00 0.00 H new ATOM 0 HG LEU D 12 15.509 0.440 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU D 12 13.404 -0.770 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU D 12 13.336 0.896 -9.688 1.00 0.00 H new ATOM 0 HD13 LEU D 12 13.557 -0.466 -10.811 1.00 0.00 H new ATOM 0 HD21 LEU D 12 15.536 -2.002 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU D 12 15.779 -1.743 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU D 12 17.031 -1.235 -9.613 1.00 0.00 H new ATOM 3374 N ASP D 13 15.754 3.419 -12.828 1.00 0.00 N ATOM 3375 CA ASP D 13 16.454 4.240 -13.810 1.00 0.00 C ATOM 3376 C ASP D 13 15.731 4.217 -15.153 1.00 0.00 C ATOM 3377 O ASP D 13 15.179 3.194 -15.556 1.00 0.00 O ATOM 3378 CB ASP D 13 17.894 3.752 -13.981 1.00 0.00 C ATOM 3379 CG ASP D 13 18.673 4.580 -14.985 1.00 0.00 C ATOM 3380 OD1 ASP D 13 18.816 5.801 -14.765 1.00 0.00 O ATOM 3381 OD2 ASP D 13 19.139 4.008 -15.993 1.00 0.00 O ATOM 0 H ASP D 13 14.933 2.934 -13.191 1.00 0.00 H new ATOM 0 HA ASP D 13 16.468 5.267 -13.445 1.00 0.00 H new ATOM 0 HB2 ASP D 13 18.402 3.784 -13.017 1.00 0.00 H new ATOM 0 HB3 ASP D 13 17.885 2.711 -14.303 1.00 0.00 H new ATOM 3386 N GLY D 14 15.733 5.356 -15.838 1.00 0.00 N ATOM 3387 CA GLY D 14 15.071 5.451 -17.125 1.00 0.00 C ATOM 3388 C GLY D 14 15.369 6.756 -17.837 1.00 0.00 C ATOM 3389 O GLY D 14 16.528 7.079 -18.097 1.00 0.00 O ATOM 0 H GLY D 14 16.182 6.216 -15.524 1.00 0.00 H new ATOM 0 HA2 GLY D 14 15.385 4.618 -17.754 1.00 0.00 H new ATOM 0 HA3 GLY D 14 13.994 5.356 -16.984 1.00 0.00 H new ATOM 3393 N LYS D 15 14.317 7.508 -18.154 1.00 0.00 N ATOM 3394 CA LYS D 15 14.461 8.788 -18.845 1.00 0.00 C ATOM 3395 C LYS D 15 15.563 9.639 -18.215 1.00 0.00 C ATOM 3396 O LYS D 15 16.206 10.438 -18.895 1.00 0.00 O ATOM 3397 CB LYS D 15 13.135 9.551 -18.821 1.00 0.00 C ATOM 3398 CG LYS D 15 12.622 9.836 -17.419 1.00 0.00 C ATOM 3399 CD LYS D 15 11.296 10.579 -17.452 1.00 0.00 C ATOM 3400 CE LYS D 15 10.775 10.850 -16.050 1.00 0.00 C ATOM 3401 NZ LYS D 15 9.471 11.570 -16.071 1.00 0.00 N ATOM 0 H LYS D 15 13.353 7.252 -17.943 1.00 0.00 H new ATOM 0 HA LYS D 15 14.741 8.582 -19.878 1.00 0.00 H new ATOM 0 HB2 LYS D 15 13.259 10.495 -19.352 1.00 0.00 H new ATOM 0 HB3 LYS D 15 12.385 8.976 -19.363 1.00 0.00 H new ATOM 0 HG2 LYS D 15 12.502 8.898 -16.877 1.00 0.00 H new ATOM 0 HG3 LYS D 15 13.358 10.427 -16.874 1.00 0.00 H new ATOM 0 HD2 LYS D 15 11.419 11.522 -17.984 1.00 0.00 H new ATOM 0 HD3 LYS D 15 10.563 9.993 -18.007 1.00 0.00 H new ATOM 0 HE2 LYS D 15 10.660 9.906 -15.517 1.00 0.00 H new ATOM 0 HE3 LYS D 15 11.507 11.440 -15.499 1.00 0.00 H new ATOM 0 HZ1 LYS D 15 9.150 11.736 -15.096 1.00 0.00 H new ATOM 0 HZ2 LYS D 15 9.586 12.482 -16.557 1.00 0.00 H new ATOM 0 HZ3 LYS D 15 8.765 10.996 -16.575 1.00 0.00 H new ATOM 3415 N SER D 16 15.773 9.463 -16.915 1.00 0.00 N ATOM 3416 CA SER D 16 16.795 10.217 -16.197 1.00 0.00 C ATOM 3417 C SER D 16 17.217 9.487 -14.925 1.00 0.00 C ATOM 3418 O SER D 16 16.380 8.961 -14.194 1.00 0.00 O ATOM 3419 CB SER D 16 16.279 11.613 -15.848 1.00 0.00 C ATOM 3420 OG SER D 16 17.254 12.357 -15.142 1.00 0.00 O ATOM 0 H SER D 16 15.250 8.805 -16.337 1.00 0.00 H new ATOM 0 HA SER D 16 17.665 10.311 -16.848 1.00 0.00 H new ATOM 0 HB2 SER D 16 16.005 12.141 -16.761 1.00 0.00 H new ATOM 0 HB3 SER D 16 15.375 11.529 -15.245 1.00 0.00 H new ATOM 0 HG SER D 16 16.899 13.246 -14.933 1.00 0.00 H new ATOM 3426 N HIS D 17 18.523 9.458 -14.674 1.00 0.00 N ATOM 3427 CA HIS D 17 19.058 8.790 -13.492 1.00 0.00 C ATOM 3428 C HIS D 17 18.440 9.356 -12.219 1.00 0.00 C ATOM 3429 O HIS D 17 18.406 10.569 -12.018 1.00 0.00 O ATOM 3430 CB HIS D 17 20.582 8.938 -13.444 1.00 0.00 C ATOM 3431 CG HIS D 17 21.218 8.244 -12.279 1.00 0.00 C ATOM 3432 ND1 HIS D 17 20.957 8.578 -10.966 1.00 0.00 N ATOM 3433 CD2 HIS D 17 22.108 7.224 -12.233 1.00 0.00 C ATOM 3434 CE1 HIS D 17 21.660 7.797 -10.166 1.00 0.00 C ATOM 3435 NE2 HIS D 17 22.366 6.966 -10.910 1.00 0.00 N ATOM 0 H HIS D 17 19.229 9.888 -15.272 1.00 0.00 H new ATOM 0 HA HIS D 17 18.803 7.732 -13.557 1.00 0.00 H new ATOM 0 HB2 HIS D 17 21.006 8.542 -14.367 1.00 0.00 H new ATOM 0 HB3 HIS D 17 20.834 9.998 -13.406 1.00 0.00 H new ATOM 0 HD2 HIS D 17 22.536 6.709 -13.081 1.00 0.00 H new ATOM 0 HE1 HIS D 17 21.658 7.832 -9.087 1.00 0.00 H new ATOM 0 HE2 HIS D 17 23.000 6.249 -10.559 1.00 0.00 H new ATOM 3444 N LYS D 18 17.947 8.466 -11.364 1.00 0.00 N ATOM 3445 CA LYS D 18 17.326 8.873 -10.110 1.00 0.00 C ATOM 3446 C LYS D 18 18.381 9.296 -9.091 1.00 0.00 C ATOM 3447 O LYS D 18 19.243 8.459 -8.752 1.00 0.00 O ATOM 3448 CB LYS D 18 16.472 7.737 -9.539 1.00 0.00 C ATOM 3449 CG LYS D 18 15.236 7.414 -10.371 1.00 0.00 C ATOM 3450 CD LYS D 18 15.600 6.948 -11.771 1.00 0.00 C ATOM 3451 CE LYS D 18 14.369 6.532 -12.560 1.00 0.00 C ATOM 3452 NZ LYS D 18 13.648 5.400 -11.917 1.00 0.00 N ATOM 3453 OXT LYS D 18 18.333 10.460 -8.641 1.00 0.00 O ATOM 0 H LYS D 18 17.966 7.458 -11.517 1.00 0.00 H new ATOM 0 HA LYS D 18 16.683 9.728 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS D 18 17.086 6.840 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS D 18 16.159 8.003 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS D 18 14.654 6.640 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS D 18 14.601 8.298 -10.436 1.00 0.00 H new ATOM 0 HD2 LYS D 18 16.118 7.749 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS D 18 16.293 6.109 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS D 18 13.695 7.383 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS D 18 14.665 6.246 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS D 18 13.544 4.622 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS D 18 14.188 5.067 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS D 18 12.707 5.718 -11.608 1.00 0.00 H new TER 3467 LYS D 18