USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 981 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: A 79 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.7!) USER MOD Set 1.2: A 101 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 55 CYS SG : rot 44:sc= -0.267 USER MOD Set 2.2: A 69 HIS :FLIP no HE2:sc= -1.44 F(o=-3.4!,f=-1.7) USER MOD Set 3.1: A 35 SER OG : rot 117:sc= 0.44 USER MOD Set 3.2: A 93 ASN :FLIP amide:sc= -1.13 F(o=-2.6!,f=-0.69) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 174:sc= -1.19 (180deg=-1.69) USER MOD Set 4.2: A 22 TYR OH : rot 180:sc= 0.187 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-8.44e-05) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.657 F(o=-2.1!,f=-0.66) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0196 F(o=-0.53,f=-0.02) USER MOD Single : A 10 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.529 F(o=-1.3,f=-0.53) USER MOD Single : A 16 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.0054) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.974 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00588 USER MOD Single : A 29 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.35) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00395 K(o=-0.004,f=-1.3) USER MOD Single : A 36 SER OG : rot -52:sc= 0.989 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.295 USER MOD Single : A 42 MET CE :methyl 148:sc= -2.17! (180deg=-4.32!) USER MOD Single : A 43 MET CE :methyl -176:sc= -3.64 (180deg=-3.73) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0377) USER MOD Single : A 53 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 1.25 K(o=1.2,f=-0.015) USER MOD Single : A 67 CYS SG : rot -150:sc= -1.45 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.147 F(o=-0.78,f=-0.15) USER MOD Single : A 76 ASN : amide:sc= -1.36 K(o=-1.4,f=-11!) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.0359 (180deg=-0.682) USER MOD Single : A 85 CYS SG : rot -150:sc= -0.115 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -1.2 USER MOD Single : A 108 LYS NZ :NH3+ 166:sc=-0.000866 (180deg=-0.111) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.29 F(o=-3.6!,f=-1.3) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -150:sc= -0.233 (180deg=-1.27) USER MOD Single : A 116 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.64) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 14:sc= 1.02 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.279 19.102 -27.567 1.00 0.00 N ATOM 2 CA MET A 1 -9.358 20.024 -26.913 1.00 0.00 C ATOM 3 C MET A 1 -9.591 20.046 -25.405 1.00 0.00 C ATOM 4 O MET A 1 -8.650 19.930 -24.620 1.00 0.00 O ATOM 5 CB MET A 1 -9.519 21.433 -27.486 1.00 0.00 C ATOM 6 CG MET A 1 -8.463 22.411 -26.999 1.00 0.00 C ATOM 7 SD MET A 1 -8.777 24.101 -27.544 1.00 0.00 S ATOM 8 CE MET A 1 -7.794 25.025 -26.367 1.00 0.00 C ATOM 0 H1 MET A 1 -10.091 19.091 -28.590 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.146 18.146 -27.180 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.258 19.411 -27.398 1.00 0.00 H new ATOM 0 HA MET A 1 -8.342 19.678 -27.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.480 21.381 -28.574 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.505 21.814 -27.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.425 22.386 -25.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.485 22.093 -27.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.885 26.091 -26.574 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.148 24.820 -25.357 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.749 24.727 -26.452 1.00 0.00 H new ATOM 18 N LYS A 2 -10.850 20.196 -25.008 1.00 0.00 N ATOM 19 CA LYS A 2 -11.207 20.232 -23.595 1.00 0.00 C ATOM 20 C LYS A 2 -11.607 18.846 -23.099 1.00 0.00 C ATOM 21 O LYS A 2 -12.735 18.402 -23.312 1.00 0.00 O ATOM 22 CB LYS A 2 -12.354 21.219 -23.363 1.00 0.00 C ATOM 23 CG LYS A 2 -11.940 22.674 -23.496 1.00 0.00 C ATOM 24 CD LYS A 2 -12.925 23.600 -22.802 1.00 0.00 C ATOM 25 CE LYS A 2 -12.270 24.913 -22.402 1.00 0.00 C ATOM 26 NZ LYS A 2 -13.082 25.655 -21.399 1.00 0.00 N ATOM 0 H LYS A 2 -11.640 20.295 -25.645 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.333 20.561 -23.033 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.152 21.010 -24.076 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.766 21.057 -22.367 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.947 22.811 -23.068 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.872 22.939 -24.551 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.767 23.800 -23.465 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.326 23.108 -21.916 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.280 24.715 -21.992 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.130 25.534 -23.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.602 26.544 -21.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.018 25.867 -21.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.194 25.073 -20.544 1.00 0.00 H new ATOM 40 N ASP A 3 -10.676 18.169 -22.436 1.00 0.00 N ATOM 41 CA ASP A 3 -10.932 16.834 -21.907 1.00 0.00 C ATOM 42 C ASP A 3 -9.920 16.475 -20.824 1.00 0.00 C ATOM 43 O ASP A 3 -8.711 16.590 -21.027 1.00 0.00 O ATOM 44 CB ASP A 3 -10.884 15.799 -23.031 1.00 0.00 C ATOM 45 CG ASP A 3 -12.141 15.806 -23.879 1.00 0.00 C ATOM 46 OD1 ASP A 3 -13.145 15.196 -23.455 1.00 0.00 O ATOM 47 OD2 ASP A 3 -12.120 16.419 -24.967 1.00 0.00 O ATOM 0 H ASP A 3 -9.737 18.523 -22.252 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.928 16.831 -21.463 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.020 15.996 -23.666 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.744 14.807 -22.602 1.00 0.00 H new ATOM 52 N HIS A 4 -10.421 16.041 -19.672 1.00 0.00 N ATOM 53 CA HIS A 4 -9.560 15.665 -18.556 1.00 0.00 C ATOM 54 C HIS A 4 -9.621 14.161 -18.306 1.00 0.00 C ATOM 55 O HIS A 4 -10.405 13.690 -17.482 1.00 0.00 O ATOM 56 CB HIS A 4 -9.970 16.421 -17.292 1.00 0.00 C ATOM 57 CG HIS A 4 -9.075 16.157 -16.120 1.00 0.00 C ATOM 58 ND1 HIS A 4 -8.432 15.030 -15.734 1.00 0.00 N flip ATOM 59 CD2 HIS A 4 -8.757 17.118 -15.184 1.00 0.00 C flip ATOM 60 CE1 HIS A 4 -7.743 15.328 -14.584 1.00 0.00 C flip ATOM 61 NE2 HIS A 4 -7.955 16.594 -14.274 1.00 0.00 N flip ATOM 0 H HIS A 4 -11.419 15.941 -19.487 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.535 15.931 -18.813 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -9.973 17.490 -17.503 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -10.991 16.145 -17.029 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.108 18.139 -15.193 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.128 14.639 -14.024 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.566 17.084 -13.469 1.00 0.00 H new ATOM 70 N LEU A 5 -8.788 13.414 -19.022 1.00 0.00 N ATOM 71 CA LEU A 5 -8.747 11.963 -18.878 1.00 0.00 C ATOM 72 C LEU A 5 -7.315 11.476 -18.679 1.00 0.00 C ATOM 73 O LEU A 5 -6.449 11.702 -19.524 1.00 0.00 O ATOM 74 CB LEU A 5 -9.359 11.291 -20.108 1.00 0.00 C ATOM 75 CG LEU A 5 -10.851 11.540 -20.336 1.00 0.00 C ATOM 76 CD1 LEU A 5 -11.254 11.119 -21.741 1.00 0.00 C ATOM 77 CD2 LEU A 5 -11.680 10.799 -19.297 1.00 0.00 C ATOM 0 H LEU A 5 -8.132 13.789 -19.708 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.329 11.694 -17.997 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.816 11.629 -20.990 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.199 10.216 -20.028 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.042 12.608 -20.230 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.319 11.303 -21.885 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.684 11.694 -22.471 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.048 10.057 -21.876 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.739 10.988 -19.474 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.485 9.729 -19.371 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.411 11.149 -18.300 1.00 0.00 H new ATOM 89 N ILE A 6 -7.075 10.804 -17.558 1.00 0.00 N ATOM 90 CA ILE A 6 -5.749 10.282 -17.249 1.00 0.00 C ATOM 91 C ILE A 6 -5.524 8.928 -17.912 1.00 0.00 C ATOM 92 O ILE A 6 -5.747 7.881 -17.302 1.00 0.00 O ATOM 93 CB ILE A 6 -5.540 10.140 -15.730 1.00 0.00 C ATOM 94 CG1 ILE A 6 -5.718 11.493 -15.039 1.00 0.00 C ATOM 95 CG2 ILE A 6 -4.161 9.567 -15.438 1.00 0.00 C ATOM 96 CD1 ILE A 6 -6.220 11.384 -13.617 1.00 0.00 C ATOM 0 H ILE A 6 -7.781 10.608 -16.849 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.028 10.999 -17.640 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.289 9.453 -15.337 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.764 12.020 -15.039 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.417 12.098 -15.617 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.027 9.472 -14.360 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.069 8.585 -15.903 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.398 10.232 -15.841 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.322 12.382 -13.190 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.189 10.885 -13.611 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.511 10.807 -13.024 1.00 0.00 H new ATOM 108 N HIS A 7 -5.079 8.954 -19.164 1.00 0.00 N ATOM 109 CA HIS A 7 -4.821 7.727 -19.910 1.00 0.00 C ATOM 110 C HIS A 7 -3.335 7.586 -20.225 1.00 0.00 C ATOM 111 O HIS A 7 -2.887 7.930 -21.318 1.00 0.00 O ATOM 112 CB HIS A 7 -5.632 7.712 -21.205 1.00 0.00 C ATOM 113 CG HIS A 7 -5.706 6.363 -21.850 1.00 0.00 C ATOM 114 ND1 HIS A 7 -5.225 6.106 -23.117 1.00 0.00 N ATOM 115 CD2 HIS A 7 -6.209 5.191 -21.396 1.00 0.00 C ATOM 116 CE1 HIS A 7 -5.429 4.835 -23.414 1.00 0.00 C ATOM 117 NE2 HIS A 7 -6.024 4.257 -22.386 1.00 0.00 N ATOM 0 H HIS A 7 -4.889 9.811 -19.684 1.00 0.00 H new ATOM 0 HA HIS A 7 -5.125 6.883 -19.290 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.643 8.061 -20.995 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.191 8.418 -21.908 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.670 5.022 -20.434 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.156 4.351 -24.340 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.301 3.277 -22.336 1.00 0.00 H new ATOM 126 N ASN A 8 -2.576 7.077 -19.260 1.00 0.00 N ATOM 127 CA ASN A 8 -1.140 6.892 -19.434 1.00 0.00 C ATOM 128 C ASN A 8 -0.750 5.432 -19.222 1.00 0.00 C ATOM 129 O ASN A 8 0.021 5.108 -18.319 1.00 0.00 O ATOM 130 CB ASN A 8 -0.367 7.783 -18.460 1.00 0.00 C ATOM 131 CG ASN A 8 -0.577 9.260 -18.737 1.00 0.00 C ATOM 132 OD1 ASN A 8 -1.779 9.749 -18.455 1.00 0.00 O flip ATOM 133 ND2 ASN A 8 0.331 9.951 -19.199 1.00 0.00 N flip ATOM 0 H ASN A 8 -2.931 6.785 -18.350 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.885 7.174 -20.455 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.680 7.559 -17.440 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.696 7.551 -18.525 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.239 9.532 -19.400 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.175 10.943 -19.380 1.00 0.00 H new ATOM 140 N VAL A 9 -1.288 4.554 -20.063 1.00 0.00 N ATOM 141 CA VAL A 9 -0.996 3.128 -19.970 1.00 0.00 C ATOM 142 C VAL A 9 -0.021 2.695 -21.059 1.00 0.00 C ATOM 143 O VAL A 9 -0.275 1.735 -21.788 1.00 0.00 O ATOM 144 CB VAL A 9 -2.280 2.284 -20.079 1.00 0.00 C ATOM 145 CG1 VAL A 9 -3.196 2.548 -18.894 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.995 2.570 -21.391 1.00 0.00 C ATOM 0 H VAL A 9 -1.928 4.805 -20.816 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.542 2.960 -18.993 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.003 1.230 -20.065 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.098 1.943 -18.989 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.680 2.288 -17.970 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.468 3.603 -18.872 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.900 1.965 -21.452 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.260 3.626 -21.438 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.338 2.324 -22.225 1.00 0.00 H new ATOM 156 N HIS A 10 1.096 3.407 -21.163 1.00 0.00 N ATOM 157 CA HIS A 10 2.111 3.096 -22.163 1.00 0.00 C ATOM 158 C HIS A 10 3.435 2.732 -21.498 1.00 0.00 C ATOM 159 O HIS A 10 4.280 3.595 -21.261 1.00 0.00 O ATOM 160 CB HIS A 10 2.309 4.283 -23.106 1.00 0.00 C ATOM 161 CG HIS A 10 2.715 5.543 -22.406 1.00 0.00 C ATOM 162 ND1 HIS A 10 4.030 5.928 -22.252 1.00 0.00 N ATOM 163 CD2 HIS A 10 1.970 6.508 -21.818 1.00 0.00 C ATOM 164 CE1 HIS A 10 4.076 7.075 -21.598 1.00 0.00 C ATOM 165 NE2 HIS A 10 2.840 7.449 -21.324 1.00 0.00 N ATOM 0 H HIS A 10 1.321 4.203 -20.567 1.00 0.00 H new ATOM 0 HA HIS A 10 1.767 2.238 -22.740 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.068 4.027 -23.845 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.382 4.462 -23.651 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.892 6.533 -21.750 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.973 7.615 -21.333 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.574 8.299 -20.826 1.00 0.00 H new ATOM 174 N LYS A 11 3.609 1.449 -21.199 1.00 0.00 N ATOM 175 CA LYS A 11 4.829 0.970 -20.562 1.00 0.00 C ATOM 176 C LYS A 11 5.248 -0.381 -21.134 1.00 0.00 C ATOM 177 O LYS A 11 4.460 -1.325 -21.157 1.00 0.00 O ATOM 178 CB LYS A 11 4.628 0.855 -19.049 1.00 0.00 C ATOM 179 CG LYS A 11 4.393 2.190 -18.364 1.00 0.00 C ATOM 180 CD LYS A 11 5.696 2.942 -18.146 1.00 0.00 C ATOM 181 CE LYS A 11 6.375 2.517 -16.853 1.00 0.00 C ATOM 182 NZ LYS A 11 7.558 3.367 -16.542 1.00 0.00 N ATOM 0 H LYS A 11 2.919 0.722 -21.388 1.00 0.00 H new ATOM 0 HA LYS A 11 5.621 1.691 -20.763 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.779 0.201 -18.852 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.505 0.380 -18.609 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.719 2.796 -18.969 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.901 2.026 -17.405 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.366 2.762 -18.986 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.499 4.014 -18.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.661 2.575 -16.032 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.687 1.476 -16.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.993 3.045 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.251 3.293 -17.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.257 4.357 -16.441 1.00 0.00 H new ATOM 196 N GLU A 12 6.492 -0.464 -21.593 1.00 0.00 N ATOM 197 CA GLU A 12 7.014 -1.700 -22.164 1.00 0.00 C ATOM 198 C GLU A 12 8.431 -1.974 -21.667 1.00 0.00 C ATOM 199 O GLU A 12 9.231 -1.054 -21.507 1.00 0.00 O ATOM 200 CB GLU A 12 7.004 -1.626 -23.692 1.00 0.00 C ATOM 201 CG GLU A 12 5.685 -2.054 -24.313 1.00 0.00 C ATOM 202 CD GLU A 12 5.187 -3.380 -23.770 1.00 0.00 C ATOM 203 OE1 GLU A 12 4.487 -3.373 -22.737 1.00 0.00 O ATOM 204 OE2 GLU A 12 5.498 -4.424 -24.380 1.00 0.00 O ATOM 0 H GLU A 12 7.157 0.309 -21.581 1.00 0.00 H new ATOM 0 HA GLU A 12 6.370 -2.518 -21.842 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.226 -0.604 -23.999 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.802 -2.257 -24.083 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.935 -1.285 -24.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.804 -2.130 -25.394 1.00 0.00 H new ATOM 211 N GLU A 13 8.731 -3.246 -21.424 1.00 0.00 N ATOM 212 CA GLU A 13 10.050 -3.641 -20.943 1.00 0.00 C ATOM 213 C GLU A 13 10.693 -4.652 -21.888 1.00 0.00 C ATOM 214 O GLU A 13 10.043 -5.592 -22.346 1.00 0.00 O ATOM 215 CB GLU A 13 9.948 -4.234 -19.536 1.00 0.00 C ATOM 216 CG GLU A 13 10.080 -3.202 -18.429 1.00 0.00 C ATOM 217 CD GLU A 13 8.874 -2.287 -18.339 1.00 0.00 C ATOM 218 OE1 GLU A 13 7.736 -2.797 -18.407 1.00 0.00 O ATOM 219 OE2 GLU A 13 9.067 -1.061 -18.199 1.00 0.00 O ATOM 0 H GLU A 13 8.079 -4.020 -21.552 1.00 0.00 H new ATOM 0 HA GLU A 13 10.678 -2.751 -20.909 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.990 -4.743 -19.434 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.725 -4.989 -19.412 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.216 -3.712 -17.476 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.974 -2.603 -18.600 1.00 0.00 H new ATOM 226 N HIS A 14 11.975 -4.451 -22.177 1.00 0.00 N ATOM 227 CA HIS A 14 12.707 -5.344 -23.067 1.00 0.00 C ATOM 228 C HIS A 14 13.755 -6.141 -22.296 1.00 0.00 C ATOM 229 O HIS A 14 14.938 -5.803 -22.306 1.00 0.00 O ATOM 230 CB HIS A 14 13.379 -4.546 -24.185 1.00 0.00 C ATOM 231 CG HIS A 14 14.185 -3.384 -23.692 1.00 0.00 C ATOM 232 ND1 HIS A 14 13.799 -2.206 -23.149 1.00 0.00 N flip ATOM 233 CD2 HIS A 14 15.563 -3.355 -23.728 1.00 0.00 C flip ATOM 234 CE1 HIS A 14 14.939 -1.493 -22.869 1.00 0.00 C flip ATOM 235 NE2 HIS A 14 15.990 -2.209 -23.227 1.00 0.00 N flip ATOM 0 H HIS A 14 12.528 -3.678 -21.808 1.00 0.00 H new ATOM 0 HA HIS A 14 11.995 -6.042 -23.506 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.027 -5.211 -24.755 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.614 -4.182 -24.870 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.195 -4.145 -24.106 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.971 -0.508 -22.428 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.965 -1.925 -23.133 1.00 0.00 H new ATOM 244 N ALA A 15 13.310 -7.201 -21.628 1.00 0.00 N ATOM 245 CA ALA A 15 14.209 -8.047 -20.852 1.00 0.00 C ATOM 246 C ALA A 15 13.579 -9.407 -20.573 1.00 0.00 C ATOM 247 O ALA A 15 12.420 -9.646 -20.912 1.00 0.00 O ATOM 248 CB ALA A 15 14.586 -7.360 -19.547 1.00 0.00 C ATOM 0 H ALA A 15 12.333 -7.494 -21.609 1.00 0.00 H new ATOM 0 HA ALA A 15 15.113 -8.208 -21.439 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.257 -8.003 -18.978 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.085 -6.416 -19.764 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.686 -7.169 -18.963 1.00 0.00 H new ATOM 254 N HIS A 16 14.350 -10.296 -19.954 1.00 0.00 N ATOM 255 CA HIS A 16 13.866 -11.633 -19.630 1.00 0.00 C ATOM 256 C HIS A 16 12.531 -11.564 -18.895 1.00 0.00 C ATOM 257 O HIS A 16 12.081 -10.488 -18.505 1.00 0.00 O ATOM 258 CB HIS A 16 14.894 -12.377 -18.777 1.00 0.00 C ATOM 259 CG HIS A 16 16.124 -12.775 -19.533 1.00 0.00 C ATOM 260 ND1 HIS A 16 16.777 -13.973 -19.331 1.00 0.00 N ATOM 261 CD2 HIS A 16 16.820 -12.127 -20.497 1.00 0.00 C ATOM 262 CE1 HIS A 16 17.822 -14.044 -20.137 1.00 0.00 C ATOM 263 NE2 HIS A 16 17.870 -12.937 -20.855 1.00 0.00 N ATOM 0 H HIS A 16 15.312 -10.114 -19.667 1.00 0.00 H new ATOM 0 HA HIS A 16 13.719 -12.176 -20.564 1.00 0.00 H new ATOM 0 HB2 HIS A 16 15.182 -11.745 -17.937 1.00 0.00 H new ATOM 0 HB3 HIS A 16 14.429 -13.270 -18.359 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.592 -11.155 -20.908 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.518 -14.867 -20.198 1.00 0.00 H new ATOM 0 HE2 HIS A 16 18.573 -12.719 -21.561 1.00 0.00 H new ATOM 272 N ALA A 17 11.903 -12.721 -18.710 1.00 0.00 N ATOM 273 CA ALA A 17 10.621 -12.792 -18.020 1.00 0.00 C ATOM 274 C ALA A 17 10.714 -12.186 -16.624 1.00 0.00 C ATOM 275 O ALA A 17 11.781 -11.744 -16.198 1.00 0.00 O ATOM 276 CB ALA A 17 10.144 -14.235 -17.941 1.00 0.00 C ATOM 0 H ALA A 17 12.261 -13.621 -19.028 1.00 0.00 H new ATOM 0 HA ALA A 17 9.896 -12.212 -18.591 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.186 -14.274 -17.423 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.029 -14.636 -18.948 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.876 -14.831 -17.395 1.00 0.00 H new ATOM 282 N HIS A 18 9.589 -12.167 -15.916 1.00 0.00 N ATOM 283 CA HIS A 18 9.544 -11.614 -14.567 1.00 0.00 C ATOM 284 C HIS A 18 9.618 -12.724 -13.522 1.00 0.00 C ATOM 285 O HIS A 18 8.594 -13.247 -13.085 1.00 0.00 O ATOM 286 CB HIS A 18 8.267 -10.797 -14.370 1.00 0.00 C ATOM 287 CG HIS A 18 8.106 -9.689 -15.364 1.00 0.00 C ATOM 288 ND1 HIS A 18 8.768 -8.484 -15.262 1.00 0.00 N ATOM 289 CD2 HIS A 18 7.353 -9.609 -16.487 1.00 0.00 C ATOM 290 CE1 HIS A 18 8.428 -7.709 -16.277 1.00 0.00 C ATOM 291 NE2 HIS A 18 7.571 -8.369 -17.035 1.00 0.00 N ATOM 0 H HIS A 18 8.697 -12.528 -16.254 1.00 0.00 H new ATOM 0 HA HIS A 18 10.407 -10.961 -14.440 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.406 -11.462 -14.437 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.267 -10.375 -13.365 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.703 -10.377 -16.878 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.789 -6.707 -16.456 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.141 -8.015 -17.889 1.00 0.00 H new ATOM 300 N ASN A 19 10.837 -13.078 -13.128 1.00 0.00 N ATOM 301 CA ASN A 19 11.045 -14.126 -12.135 1.00 0.00 C ATOM 302 C ASN A 19 11.737 -13.572 -10.895 1.00 0.00 C ATOM 303 O ASN A 19 12.946 -13.336 -10.897 1.00 0.00 O ATOM 304 CB ASN A 19 11.876 -15.264 -12.732 1.00 0.00 C ATOM 305 CG ASN A 19 11.325 -15.748 -14.059 1.00 0.00 C ATOM 306 OD1 ASN A 19 10.197 -16.237 -14.135 1.00 0.00 O ATOM 307 ND2 ASN A 19 12.121 -15.616 -15.114 1.00 0.00 N ATOM 0 H ASN A 19 11.695 -12.655 -13.481 1.00 0.00 H new ATOM 0 HA ASN A 19 10.069 -14.512 -11.841 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.903 -14.926 -12.870 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.906 -16.096 -12.029 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.805 -15.925 -16.033 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.048 -15.205 -15.005 1.00 0.00 H new ATOM 314 N LYS A 20 10.964 -13.365 -9.834 1.00 0.00 N ATOM 315 CA LYS A 20 11.502 -12.840 -8.585 1.00 0.00 C ATOM 316 C LYS A 20 12.106 -13.957 -7.741 1.00 0.00 C ATOM 317 O LYS A 20 11.564 -14.323 -6.698 1.00 0.00 O ATOM 318 CB LYS A 20 10.404 -12.125 -7.793 1.00 0.00 C ATOM 319 CG LYS A 20 9.728 -11.006 -8.566 1.00 0.00 C ATOM 320 CD LYS A 20 10.437 -9.678 -8.358 1.00 0.00 C ATOM 321 CE LYS A 20 9.894 -8.940 -7.144 1.00 0.00 C ATOM 322 NZ LYS A 20 10.018 -9.751 -5.901 1.00 0.00 N ATOM 0 H LYS A 20 9.962 -13.553 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 20 12.289 -12.126 -8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.651 -12.854 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.835 -11.716 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.717 -11.251 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.689 -10.919 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.506 -9.851 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.317 -9.057 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.432 -8.000 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.847 -8.688 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.732 -9.177 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.403 -10.587 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.005 -10.056 -5.782 1.00 0.00 H new ATOM 336 N ASP A 21 13.233 -14.494 -8.197 1.00 0.00 N ATOM 337 CA ASP A 21 13.913 -15.568 -7.482 1.00 0.00 C ATOM 338 C ASP A 21 15.405 -15.277 -7.357 1.00 0.00 C ATOM 339 O ASP A 21 16.216 -15.799 -8.122 1.00 0.00 O ATOM 340 CB ASP A 21 13.699 -16.902 -8.199 1.00 0.00 C ATOM 341 CG ASP A 21 14.240 -18.077 -7.409 1.00 0.00 C ATOM 342 OD1 ASP A 21 15.475 -18.262 -7.393 1.00 0.00 O ATOM 343 OD2 ASP A 21 13.429 -18.812 -6.808 1.00 0.00 O ATOM 0 H ASP A 21 13.695 -14.203 -9.059 1.00 0.00 H new ATOM 0 HA ASP A 21 13.488 -15.631 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.634 -17.048 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.185 -16.869 -9.174 1.00 0.00 H new ATOM 348 N TYR A 22 15.760 -14.440 -6.388 1.00 0.00 N ATOM 349 CA TYR A 22 17.154 -14.077 -6.164 1.00 0.00 C ATOM 350 C TYR A 22 17.544 -14.285 -4.704 1.00 0.00 C ATOM 351 O TYR A 22 18.254 -15.233 -4.369 1.00 0.00 O ATOM 352 CB TYR A 22 17.394 -12.621 -6.565 1.00 0.00 C ATOM 353 CG TYR A 22 16.216 -11.714 -6.288 1.00 0.00 C ATOM 354 CD1 TYR A 22 14.994 -11.918 -6.917 1.00 0.00 C ATOM 355 CD2 TYR A 22 16.325 -10.655 -5.396 1.00 0.00 C ATOM 356 CE1 TYR A 22 13.916 -11.091 -6.667 1.00 0.00 C ATOM 357 CE2 TYR A 22 15.251 -9.824 -5.138 1.00 0.00 C ATOM 358 CZ TYR A 22 14.049 -10.046 -5.777 1.00 0.00 C ATOM 359 OH TYR A 22 12.977 -9.222 -5.524 1.00 0.00 O ATOM 0 H TYR A 22 15.101 -14.000 -5.745 1.00 0.00 H new ATOM 0 HA TYR A 22 17.775 -14.725 -6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.265 -12.244 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 22 17.631 -12.580 -7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 22 14.885 -12.737 -7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 22 17.265 -10.478 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.974 -11.262 -7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.352 -9.006 -4.440 1.00 0.00 H new ATOM 0 HH TYR A 22 13.237 -8.537 -4.873 1.00 0.00 H new ATOM 369 N ASP A 23 17.073 -13.393 -3.840 1.00 0.00 N ATOM 370 CA ASP A 23 17.370 -13.478 -2.415 1.00 0.00 C ATOM 371 C ASP A 23 16.095 -13.356 -1.586 1.00 0.00 C ATOM 372 O ASP A 23 15.994 -12.499 -0.707 1.00 0.00 O ATOM 373 CB ASP A 23 18.361 -12.385 -2.012 1.00 0.00 C ATOM 374 CG ASP A 23 17.829 -10.992 -2.286 1.00 0.00 C ATOM 375 OD1 ASP A 23 16.666 -10.876 -2.725 1.00 0.00 O ATOM 376 OD2 ASP A 23 18.577 -10.017 -2.061 1.00 0.00 O ATOM 0 H ASP A 23 16.484 -12.603 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 23 17.817 -14.453 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.591 -12.481 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.295 -12.527 -2.555 1.00 0.00 H new ATOM 381 N ILE A 24 15.124 -14.217 -1.873 1.00 0.00 N ATOM 382 CA ILE A 24 13.856 -14.205 -1.154 1.00 0.00 C ATOM 383 C ILE A 24 13.998 -14.849 0.221 1.00 0.00 C ATOM 384 O ILE A 24 14.637 -15.889 0.385 1.00 0.00 O ATOM 385 CB ILE A 24 12.756 -14.941 -1.942 1.00 0.00 C ATOM 386 CG1 ILE A 24 13.029 -14.853 -3.445 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.389 -14.360 -1.611 1.00 0.00 C ATOM 388 CD1 ILE A 24 13.845 -16.008 -3.979 1.00 0.00 C ATOM 0 H ILE A 24 15.191 -14.931 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 24 13.570 -13.160 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 24 12.763 -15.992 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.078 -14.814 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.552 -13.920 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.622 -14.890 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.196 -14.470 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.369 -13.303 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 24 14.000 -15.880 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.810 -16.036 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.314 -16.943 -3.799 1.00 0.00 H new ATOM 400 N PRO A 25 13.387 -14.218 1.235 1.00 0.00 N ATOM 401 CA PRO A 25 13.429 -14.713 2.615 1.00 0.00 C ATOM 402 C PRO A 25 12.621 -15.994 2.796 1.00 0.00 C ATOM 403 O PRO A 25 11.944 -16.449 1.874 1.00 0.00 O ATOM 404 CB PRO A 25 12.806 -13.570 3.420 1.00 0.00 C ATOM 405 CG PRO A 25 11.929 -12.856 2.449 1.00 0.00 C ATOM 406 CD PRO A 25 12.609 -12.974 1.113 1.00 0.00 C ATOM 0 HA PRO A 25 14.442 -14.969 2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.233 -13.948 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.571 -12.907 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.934 -13.301 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.803 -11.811 2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.887 -13.030 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.251 -12.117 0.912 1.00 0.00 H new ATOM 414 N THR A 26 12.697 -16.572 3.991 1.00 0.00 N ATOM 415 CA THR A 26 11.974 -17.800 4.293 1.00 0.00 C ATOM 416 C THR A 26 10.661 -17.504 5.009 1.00 0.00 C ATOM 417 O THR A 26 10.191 -18.301 5.822 1.00 0.00 O ATOM 418 CB THR A 26 12.818 -18.749 5.164 1.00 0.00 C ATOM 419 OG1 THR A 26 12.127 -19.990 5.349 1.00 0.00 O ATOM 420 CG2 THR A 26 13.114 -18.121 6.518 1.00 0.00 C ATOM 0 H THR A 26 13.253 -16.209 4.765 1.00 0.00 H new ATOM 0 HA THR A 26 11.763 -18.285 3.340 1.00 0.00 H new ATOM 0 HB THR A 26 13.762 -18.933 4.652 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.176 -19.815 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.711 -18.810 7.116 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.666 -17.192 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.177 -17.911 7.034 1.00 0.00 H new ATOM 428 N THR A 27 10.071 -16.353 4.701 1.00 0.00 N ATOM 429 CA THR A 27 8.812 -15.951 5.316 1.00 0.00 C ATOM 430 C THR A 27 7.634 -16.235 4.391 1.00 0.00 C ATOM 431 O THR A 27 7.809 -16.422 3.187 1.00 0.00 O ATOM 432 CB THR A 27 8.817 -14.455 5.679 1.00 0.00 C ATOM 433 OG1 THR A 27 9.408 -13.695 4.618 1.00 0.00 O ATOM 434 CG2 THR A 27 9.583 -14.213 6.970 1.00 0.00 C ATOM 0 H THR A 27 10.445 -15.683 4.029 1.00 0.00 H new ATOM 0 HA THR A 27 8.704 -16.538 6.228 1.00 0.00 H new ATOM 0 HB THR A 27 7.785 -14.136 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.406 -12.744 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.572 -13.149 7.205 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.113 -14.769 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.613 -14.548 6.850 1.00 0.00 H new ATOM 442 N GLU A 28 6.433 -16.264 4.961 1.00 0.00 N ATOM 443 CA GLU A 28 5.226 -16.525 4.186 1.00 0.00 C ATOM 444 C GLU A 28 4.407 -15.250 4.009 1.00 0.00 C ATOM 445 O GLU A 28 3.178 -15.280 4.039 1.00 0.00 O ATOM 446 CB GLU A 28 4.377 -17.599 4.869 1.00 0.00 C ATOM 447 CG GLU A 28 5.093 -18.929 5.033 1.00 0.00 C ATOM 448 CD GLU A 28 5.530 -19.524 3.709 1.00 0.00 C ATOM 449 OE1 GLU A 28 6.397 -18.919 3.044 1.00 0.00 O ATOM 450 OE2 GLU A 28 5.005 -20.594 3.336 1.00 0.00 O ATOM 0 H GLU A 28 6.270 -16.110 5.956 1.00 0.00 H new ATOM 0 HA GLU A 28 5.527 -16.882 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.070 -17.238 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.468 -17.755 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.966 -18.791 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.434 -19.632 5.543 1.00 0.00 H new ATOM 457 N ASN A 29 5.099 -14.130 3.824 1.00 0.00 N ATOM 458 CA ASN A 29 4.437 -12.844 3.643 1.00 0.00 C ATOM 459 C ASN A 29 4.585 -12.353 2.206 1.00 0.00 C ATOM 460 O ASN A 29 5.699 -12.170 1.713 1.00 0.00 O ATOM 461 CB ASN A 29 5.015 -11.808 4.610 1.00 0.00 C ATOM 462 CG ASN A 29 4.697 -12.128 6.058 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.563 -11.960 6.507 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.699 -12.591 6.796 1.00 0.00 N ATOM 0 H ASN A 29 6.118 -14.088 3.796 1.00 0.00 H new ATOM 0 HA ASN A 29 3.376 -12.977 3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.096 -11.758 4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.618 -10.823 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.545 -12.823 7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.623 -12.714 6.382 1.00 0.00 H new ATOM 471 N LEU A 30 3.456 -12.141 1.540 1.00 0.00 N ATOM 472 CA LEU A 30 3.459 -11.671 0.159 1.00 0.00 C ATOM 473 C LEU A 30 3.158 -10.177 0.092 1.00 0.00 C ATOM 474 O LEU A 30 2.461 -9.635 0.950 1.00 0.00 O ATOM 475 CB LEU A 30 2.432 -12.447 -0.668 1.00 0.00 C ATOM 476 CG LEU A 30 2.922 -13.755 -1.291 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.914 -13.474 -2.409 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.550 -14.649 -0.231 1.00 0.00 C ATOM 0 H LEU A 30 2.526 -12.287 1.934 1.00 0.00 H new ATOM 0 HA LEU A 30 4.453 -11.842 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.576 -12.670 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.074 -11.798 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 30 2.064 -14.277 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.252 -14.416 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.432 -12.873 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.770 -12.931 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.893 -15.575 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.397 -14.135 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.811 -14.878 0.536 1.00 0.00 H new ATOM 490 N TYR A 31 3.686 -9.518 -0.934 1.00 0.00 N ATOM 491 CA TYR A 31 3.474 -8.087 -1.113 1.00 0.00 C ATOM 492 C TYR A 31 2.998 -7.779 -2.529 1.00 0.00 C ATOM 493 O TYR A 31 3.563 -8.271 -3.507 1.00 0.00 O ATOM 494 CB TYR A 31 4.763 -7.318 -0.818 1.00 0.00 C ATOM 495 CG TYR A 31 5.420 -7.716 0.484 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.853 -7.372 1.705 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.610 -8.434 0.494 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.450 -7.732 2.898 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.213 -8.800 1.682 1.00 0.00 C ATOM 500 CZ TYR A 31 6.630 -8.447 2.881 1.00 0.00 C ATOM 501 OH TYR A 31 7.229 -8.808 4.066 1.00 0.00 O ATOM 0 H TYR A 31 4.264 -9.952 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 31 2.701 -7.770 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.467 -7.478 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.542 -6.251 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.929 -6.813 1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.071 -8.710 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.996 -7.455 3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.136 -9.360 1.672 1.00 0.00 H new ATOM 0 HH TYR A 31 8.051 -9.308 3.878 1.00 0.00 H new ATOM 511 N PHE A 32 1.955 -6.962 -2.632 1.00 0.00 N ATOM 512 CA PHE A 32 1.402 -6.588 -3.928 1.00 0.00 C ATOM 513 C PHE A 32 1.364 -5.071 -4.086 1.00 0.00 C ATOM 514 O PHE A 32 1.710 -4.332 -3.165 1.00 0.00 O ATOM 515 CB PHE A 32 -0.006 -7.164 -4.091 1.00 0.00 C ATOM 516 CG PHE A 32 -0.090 -8.635 -3.795 1.00 0.00 C ATOM 517 CD1 PHE A 32 0.102 -9.108 -2.507 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.360 -9.544 -4.805 1.00 0.00 C ATOM 519 CE1 PHE A 32 0.026 -10.460 -2.231 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.439 -10.897 -4.535 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.244 -11.356 -3.247 1.00 0.00 C ATOM 0 H PHE A 32 1.476 -6.546 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 32 2.048 -7.000 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.688 -6.629 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.347 -6.987 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.314 -8.412 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.510 -9.191 -5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.177 -10.815 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.653 -11.595 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.303 -12.413 -3.035 1.00 0.00 H new ATOM 531 N GLN A 33 0.942 -4.615 -5.261 1.00 0.00 N ATOM 532 CA GLN A 33 0.860 -3.186 -5.540 1.00 0.00 C ATOM 533 C GLN A 33 -0.346 -2.871 -6.420 1.00 0.00 C ATOM 534 O GLN A 33 -0.541 -3.487 -7.467 1.00 0.00 O ATOM 535 CB GLN A 33 2.142 -2.703 -6.221 1.00 0.00 C ATOM 536 CG GLN A 33 3.397 -2.954 -5.401 1.00 0.00 C ATOM 537 CD GLN A 33 4.668 -2.664 -6.176 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.665 -2.636 -7.407 1.00 0.00 O ATOM 539 NE2 GLN A 33 5.762 -2.445 -5.457 1.00 0.00 N ATOM 0 H GLN A 33 0.652 -5.214 -6.034 1.00 0.00 H new ATOM 0 HA GLN A 33 0.741 -2.663 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.242 -3.202 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.057 -1.635 -6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.372 -2.333 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.408 -3.992 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.718 -2.478 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.647 -2.244 -5.923 1.00 0.00 H new ATOM 548 N GLY A 34 -1.154 -1.908 -5.986 1.00 0.00 N ATOM 549 CA GLY A 34 -2.331 -1.529 -6.745 1.00 0.00 C ATOM 550 C GLY A 34 -3.349 -0.785 -5.904 1.00 0.00 C ATOM 551 O GLY A 34 -4.454 -1.276 -5.675 1.00 0.00 O ATOM 0 H GLY A 34 -1.014 -1.384 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.031 -0.903 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.793 -2.423 -7.163 1.00 0.00 H new ATOM 555 N SER A 35 -2.975 0.404 -5.440 1.00 0.00 N ATOM 556 CA SER A 35 -3.862 1.215 -4.615 1.00 0.00 C ATOM 557 C SER A 35 -4.843 2.000 -5.480 1.00 0.00 C ATOM 558 O SER A 35 -4.474 2.538 -6.524 1.00 0.00 O ATOM 559 CB SER A 35 -3.047 2.177 -3.747 1.00 0.00 C ATOM 560 OG SER A 35 -3.887 2.911 -2.873 1.00 0.00 O ATOM 0 H SER A 35 -2.064 0.826 -5.622 1.00 0.00 H new ATOM 0 HA SER A 35 -4.430 0.545 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.314 1.616 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.491 2.864 -4.384 1.00 0.00 H new ATOM 0 HG SER A 35 -3.661 2.695 -1.944 1.00 0.00 H new ATOM 566 N SER A 36 -6.095 2.061 -5.038 1.00 0.00 N ATOM 567 CA SER A 36 -7.132 2.776 -5.773 1.00 0.00 C ATOM 568 C SER A 36 -7.278 4.203 -5.255 1.00 0.00 C ATOM 569 O SER A 36 -8.379 4.751 -5.215 1.00 0.00 O ATOM 570 CB SER A 36 -8.468 2.040 -5.658 1.00 0.00 C ATOM 571 OG SER A 36 -9.479 2.699 -6.401 1.00 0.00 O ATOM 0 H SER A 36 -6.416 1.624 -4.174 1.00 0.00 H new ATOM 0 HA SER A 36 -6.837 2.817 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.356 1.017 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.764 1.978 -4.611 1.00 0.00 H new ATOM 0 HG SER A 36 -9.507 3.645 -6.147 1.00 0.00 H new ATOM 577 N GLY A 37 -6.158 4.800 -4.859 1.00 0.00 N ATOM 578 CA GLY A 37 -6.182 6.159 -4.348 1.00 0.00 C ATOM 579 C GLY A 37 -5.598 6.264 -2.953 1.00 0.00 C ATOM 580 O GLY A 37 -4.396 6.472 -2.790 1.00 0.00 O ATOM 0 H GLY A 37 -5.235 4.367 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.623 6.807 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.210 6.522 -4.337 1.00 0.00 H new ATOM 584 N SER A 38 -6.452 6.121 -1.944 1.00 0.00 N ATOM 585 CA SER A 38 -6.015 6.207 -0.555 1.00 0.00 C ATOM 586 C SER A 38 -5.825 4.816 0.041 1.00 0.00 C ATOM 587 O SER A 38 -6.256 3.817 -0.535 1.00 0.00 O ATOM 588 CB SER A 38 -7.032 6.995 0.273 1.00 0.00 C ATOM 589 OG SER A 38 -7.075 8.353 -0.129 1.00 0.00 O ATOM 0 H SER A 38 -7.450 5.945 -2.062 1.00 0.00 H new ATOM 0 HA SER A 38 -5.057 6.727 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.020 6.548 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.771 6.933 1.330 1.00 0.00 H new ATOM 0 HG SER A 38 -7.734 8.834 0.414 1.00 0.00 H new ATOM 595 N SER A 39 -5.176 4.760 1.200 1.00 0.00 N ATOM 596 CA SER A 39 -4.924 3.491 1.874 1.00 0.00 C ATOM 597 C SER A 39 -6.194 2.967 2.538 1.00 0.00 C ATOM 598 O SER A 39 -6.321 1.773 2.805 1.00 0.00 O ATOM 599 CB SER A 39 -3.819 3.656 2.919 1.00 0.00 C ATOM 600 OG SER A 39 -2.633 4.163 2.333 1.00 0.00 O ATOM 0 H SER A 39 -4.815 5.578 1.692 1.00 0.00 H new ATOM 0 HA SER A 39 -4.601 2.767 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.156 4.331 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.613 2.695 3.390 1.00 0.00 H new ATOM 0 HG SER A 39 -1.943 4.261 3.022 1.00 0.00 H new ATOM 606 N GLY A 40 -7.133 3.871 2.801 1.00 0.00 N ATOM 607 CA GLY A 40 -8.381 3.482 3.431 1.00 0.00 C ATOM 608 C GLY A 40 -9.307 2.751 2.480 1.00 0.00 C ATOM 609 O GLY A 40 -9.796 1.665 2.792 1.00 0.00 O ATOM 0 H GLY A 40 -7.052 4.865 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.168 2.844 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.884 4.370 3.812 1.00 0.00 H new ATOM 613 N ASP A 41 -9.551 3.347 1.318 1.00 0.00 N ATOM 614 CA ASP A 41 -10.426 2.745 0.319 1.00 0.00 C ATOM 615 C ASP A 41 -10.142 1.253 0.177 1.00 0.00 C ATOM 616 O ASP A 41 -11.062 0.448 0.032 1.00 0.00 O ATOM 617 CB ASP A 41 -10.248 3.442 -1.031 1.00 0.00 C ATOM 618 CG ASP A 41 -10.494 2.509 -2.201 1.00 0.00 C ATOM 619 OD1 ASP A 41 -9.676 1.589 -2.409 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.505 2.699 -2.909 1.00 0.00 O ATOM 0 H ASP A 41 -9.155 4.246 1.045 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.457 2.870 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.934 4.287 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.238 3.846 -1.098 1.00 0.00 H new ATOM 625 N MET A 42 -8.864 0.892 0.217 1.00 0.00 N ATOM 626 CA MET A 42 -8.460 -0.504 0.093 1.00 0.00 C ATOM 627 C MET A 42 -9.313 -1.398 0.988 1.00 0.00 C ATOM 628 O MET A 42 -9.813 -2.434 0.550 1.00 0.00 O ATOM 629 CB MET A 42 -6.982 -0.663 0.452 1.00 0.00 C ATOM 630 CG MET A 42 -6.036 -0.185 -0.638 1.00 0.00 C ATOM 631 SD MET A 42 -4.499 -1.126 -0.686 1.00 0.00 S ATOM 632 CE MET A 42 -4.654 -1.948 -2.269 1.00 0.00 C ATOM 0 H MET A 42 -8.090 1.546 0.334 1.00 0.00 H new ATOM 0 HA MET A 42 -8.609 -0.809 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.777 -0.108 1.368 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.779 -1.713 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.534 -0.261 -1.605 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.807 0.869 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.665 -2.082 -2.708 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.124 -2.922 -2.129 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.268 -1.342 -2.935 1.00 0.00 H new ATOM 642 N MET A 43 -9.473 -0.991 2.243 1.00 0.00 N ATOM 643 CA MET A 43 -10.265 -1.756 3.198 1.00 0.00 C ATOM 644 C MET A 43 -11.692 -1.945 2.693 1.00 0.00 C ATOM 645 O MET A 43 -12.366 -2.910 3.054 1.00 0.00 O ATOM 646 CB MET A 43 -10.282 -1.054 4.557 1.00 0.00 C ATOM 647 CG MET A 43 -8.899 -0.681 5.065 1.00 0.00 C ATOM 648 SD MET A 43 -8.154 -1.978 6.072 1.00 0.00 S ATOM 649 CE MET A 43 -9.246 -1.974 7.491 1.00 0.00 C ATOM 0 H MET A 43 -9.065 -0.136 2.622 1.00 0.00 H new ATOM 0 HA MET A 43 -9.805 -2.738 3.310 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.889 -0.151 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.765 -1.704 5.287 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.250 -0.468 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.967 0.235 5.652 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.875 -2.676 8.238 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.282 -0.973 7.920 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.248 -2.271 7.180 1.00 0.00 H new ATOM 659 N ARG A 44 -12.147 -1.017 1.857 1.00 0.00 N ATOM 660 CA ARG A 44 -13.494 -1.082 1.304 1.00 0.00 C ATOM 661 C ARG A 44 -13.513 -1.891 0.010 1.00 0.00 C ATOM 662 O ARG A 44 -14.466 -2.619 -0.263 1.00 0.00 O ATOM 663 CB ARG A 44 -14.030 0.328 1.044 1.00 0.00 C ATOM 664 CG ARG A 44 -14.461 1.057 2.306 1.00 0.00 C ATOM 665 CD ARG A 44 -14.215 2.554 2.196 1.00 0.00 C ATOM 666 NE ARG A 44 -15.149 3.324 3.013 1.00 0.00 N ATOM 667 CZ ARG A 44 -15.462 4.592 2.774 1.00 0.00 C ATOM 668 NH1 ARG A 44 -14.919 5.230 1.747 1.00 0.00 N ATOM 669 NH2 ARG A 44 -16.321 5.225 3.564 1.00 0.00 N ATOM 0 H ARG A 44 -11.602 -0.212 1.548 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.135 -1.579 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.260 0.913 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.879 0.265 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.520 0.874 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.915 0.659 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.194 2.777 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.307 2.861 1.154 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.585 2.862 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.259 4.747 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.161 6.204 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.741 4.737 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.561 6.199 3.380 1.00 0.00 H new ATOM 683 N GLU A 45 -12.454 -1.756 -0.782 1.00 0.00 N ATOM 684 CA GLU A 45 -12.350 -2.474 -2.047 1.00 0.00 C ATOM 685 C GLU A 45 -12.111 -3.962 -1.810 1.00 0.00 C ATOM 686 O GLU A 45 -12.855 -4.808 -2.308 1.00 0.00 O ATOM 687 CB GLU A 45 -11.218 -1.893 -2.897 1.00 0.00 C ATOM 688 CG GLU A 45 -11.445 -2.038 -4.392 1.00 0.00 C ATOM 689 CD GLU A 45 -10.430 -1.266 -5.213 1.00 0.00 C ATOM 690 OE1 GLU A 45 -9.971 -0.204 -4.742 1.00 0.00 O ATOM 691 OE2 GLU A 45 -10.096 -1.722 -6.326 1.00 0.00 O ATOM 0 H GLU A 45 -11.656 -1.156 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.293 -2.356 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.100 -0.836 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.284 -2.387 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.399 -3.093 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.448 -1.689 -4.639 1.00 0.00 H new ATOM 698 N ILE A 46 -11.069 -4.274 -1.047 1.00 0.00 N ATOM 699 CA ILE A 46 -10.732 -5.659 -0.743 1.00 0.00 C ATOM 700 C ILE A 46 -11.987 -6.488 -0.495 1.00 0.00 C ATOM 701 O ILE A 46 -12.329 -7.368 -1.286 1.00 0.00 O ATOM 702 CB ILE A 46 -9.813 -5.758 0.488 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.520 -4.974 0.252 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.505 -7.214 0.804 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.910 -4.419 1.519 1.00 0.00 C ATOM 0 H ILE A 46 -10.443 -3.586 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.205 -6.053 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.329 -5.322 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.794 -5.624 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.723 -4.152 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.854 -7.267 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.434 -7.746 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.006 -7.674 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.997 -3.876 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.618 -3.743 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.675 -5.238 2.199 1.00 0.00 H new ATOM 717 N ARG A 47 -12.671 -6.201 0.608 1.00 0.00 N ATOM 718 CA ARG A 47 -13.889 -6.920 0.960 1.00 0.00 C ATOM 719 C ARG A 47 -14.681 -7.295 -0.289 1.00 0.00 C ATOM 720 O ARG A 47 -15.250 -8.383 -0.374 1.00 0.00 O ATOM 721 CB ARG A 47 -14.757 -6.070 1.890 1.00 0.00 C ATOM 722 CG ARG A 47 -14.122 -5.809 3.246 1.00 0.00 C ATOM 723 CD ARG A 47 -15.076 -5.076 4.176 1.00 0.00 C ATOM 724 NE ARG A 47 -15.505 -3.795 3.622 1.00 0.00 N ATOM 725 CZ ARG A 47 -16.600 -3.154 4.015 1.00 0.00 C ATOM 726 NH1 ARG A 47 -17.373 -3.672 4.960 1.00 0.00 N ATOM 727 NH2 ARG A 47 -16.925 -1.992 3.462 1.00 0.00 N ATOM 0 H ARG A 47 -12.402 -5.476 1.273 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.603 -7.836 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.966 -5.116 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.715 -6.570 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.826 -6.755 3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.214 -5.220 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.950 -5.700 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.589 -4.910 5.137 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.932 -3.369 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.127 -4.565 5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.213 -3.177 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.334 -1.590 2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.766 -1.501 3.765 1.00 0.00 H new ATOM 741 N LYS A 48 -14.712 -6.386 -1.258 1.00 0.00 N ATOM 742 CA LYS A 48 -15.432 -6.620 -2.504 1.00 0.00 C ATOM 743 C LYS A 48 -15.163 -8.025 -3.033 1.00 0.00 C ATOM 744 O LYS A 48 -16.091 -8.773 -3.338 1.00 0.00 O ATOM 745 CB LYS A 48 -15.027 -5.582 -3.553 1.00 0.00 C ATOM 746 CG LYS A 48 -16.035 -5.430 -4.680 1.00 0.00 C ATOM 747 CD LYS A 48 -15.573 -4.413 -5.709 1.00 0.00 C ATOM 748 CE LYS A 48 -14.434 -4.957 -6.558 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.912 -5.960 -7.550 1.00 0.00 N ATOM 0 H LYS A 48 -14.246 -5.480 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.499 -6.526 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.893 -4.617 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.062 -5.862 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.189 -6.394 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.997 -5.122 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.409 -4.139 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.249 -3.503 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.945 -4.134 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.685 -5.414 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.146 -6.181 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.200 -6.828 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.724 -5.573 -8.071 1.00 0.00 H new ATOM 763 N VAL A 49 -13.885 -8.378 -3.137 1.00 0.00 N ATOM 764 CA VAL A 49 -13.494 -9.694 -3.627 1.00 0.00 C ATOM 765 C VAL A 49 -13.902 -10.789 -2.647 1.00 0.00 C ATOM 766 O VAL A 49 -14.415 -11.835 -3.046 1.00 0.00 O ATOM 767 CB VAL A 49 -11.974 -9.775 -3.865 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.641 -10.928 -4.800 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.452 -8.459 -4.421 1.00 0.00 C ATOM 0 H VAL A 49 -13.104 -7.771 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.012 -9.846 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.483 -9.960 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.563 -10.970 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.980 -11.865 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.141 -10.777 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.377 -8.534 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.948 -8.242 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.657 -7.657 -3.712 1.00 0.00 H new ATOM 779 N LEU A 50 -13.673 -10.540 -1.362 1.00 0.00 N ATOM 780 CA LEU A 50 -14.018 -11.505 -0.323 1.00 0.00 C ATOM 781 C LEU A 50 -15.472 -11.947 -0.452 1.00 0.00 C ATOM 782 O LEU A 50 -15.757 -13.126 -0.657 1.00 0.00 O ATOM 783 CB LEU A 50 -13.777 -10.900 1.061 1.00 0.00 C ATOM 784 CG LEU A 50 -12.364 -10.383 1.331 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.251 -9.856 2.753 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.338 -11.480 1.084 1.00 0.00 C ATOM 0 H LEU A 50 -13.250 -9.679 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.380 -12.380 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.477 -10.076 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.016 -11.654 1.811 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.161 -9.562 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.238 -9.492 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.959 -9.040 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.474 -10.658 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.338 -11.094 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.539 -12.322 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.401 -11.811 0.047 1.00 0.00 H new ATOM 798 N GLY A 51 -16.389 -10.991 -0.331 1.00 0.00 N ATOM 799 CA GLY A 51 -17.803 -11.302 -0.439 1.00 0.00 C ATOM 800 C GLY A 51 -18.133 -12.071 -1.703 1.00 0.00 C ATOM 801 O GLY A 51 -19.039 -12.904 -1.712 1.00 0.00 O ATOM 0 H GLY A 51 -16.178 -10.008 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.111 -11.886 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.378 -10.376 -0.420 1.00 0.00 H new ATOM 805 N ALA A 52 -17.397 -11.790 -2.774 1.00 0.00 N ATOM 806 CA ALA A 52 -17.616 -12.462 -4.048 1.00 0.00 C ATOM 807 C ALA A 52 -17.253 -13.940 -3.960 1.00 0.00 C ATOM 808 O ALA A 52 -17.940 -14.792 -4.520 1.00 0.00 O ATOM 809 CB ALA A 52 -16.812 -11.783 -5.148 1.00 0.00 C ATOM 0 H ALA A 52 -16.644 -11.102 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.676 -12.390 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.985 -12.295 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.123 -10.742 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.751 -11.825 -4.902 1.00 0.00 H new ATOM 815 N ASN A 53 -16.167 -14.236 -3.253 1.00 0.00 N ATOM 816 CA ASN A 53 -15.711 -15.612 -3.092 1.00 0.00 C ATOM 817 C ASN A 53 -16.202 -16.197 -1.772 1.00 0.00 C ATOM 818 O ASN A 53 -15.496 -16.968 -1.122 1.00 0.00 O ATOM 819 CB ASN A 53 -14.184 -15.676 -3.155 1.00 0.00 C ATOM 820 CG ASN A 53 -13.668 -15.782 -4.577 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.979 -16.740 -4.930 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.999 -14.795 -5.402 1.00 0.00 N ATOM 0 H ASN A 53 -15.587 -13.542 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.126 -16.204 -3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.766 -14.786 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.835 -16.534 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.680 -14.812 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.572 -14.021 -5.067 1.00 0.00 H new ATOM 829 N ASN A 54 -17.417 -15.826 -1.381 1.00 0.00 N ATOM 830 CA ASN A 54 -18.003 -16.313 -0.138 1.00 0.00 C ATOM 831 C ASN A 54 -16.972 -16.311 0.987 1.00 0.00 C ATOM 832 O ASN A 54 -16.940 -17.222 1.815 1.00 0.00 O ATOM 833 CB ASN A 54 -18.560 -17.725 -0.332 1.00 0.00 C ATOM 834 CG ASN A 54 -19.398 -17.848 -1.589 1.00 0.00 C ATOM 835 OD1 ASN A 54 -18.875 -17.817 -2.703 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.707 -17.989 -1.416 1.00 0.00 N ATOM 0 H ASN A 54 -18.015 -15.189 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.817 -15.643 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.734 -18.435 -0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.165 -17.996 0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.322 -18.077 -2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -21.098 -18.010 -0.474 1.00 0.00 H new ATOM 843 N CYS A 55 -16.132 -15.283 1.010 1.00 0.00 N ATOM 844 CA CYS A 55 -15.099 -15.162 2.032 1.00 0.00 C ATOM 845 C CYS A 55 -15.523 -14.180 3.120 1.00 0.00 C ATOM 846 O CYS A 55 -16.033 -13.098 2.829 1.00 0.00 O ATOM 847 CB CYS A 55 -13.781 -14.707 1.404 1.00 0.00 C ATOM 848 SG CYS A 55 -12.977 -15.964 0.383 1.00 0.00 S ATOM 0 H CYS A 55 -16.146 -14.521 0.332 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.957 -16.142 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.968 -13.823 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.097 -14.407 2.198 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.865 -16.549 -0.365 1.00 0.00 H new ATOM 854 N ASP A 56 -15.311 -14.566 4.373 1.00 0.00 N ATOM 855 CA ASP A 56 -15.672 -13.720 5.505 1.00 0.00 C ATOM 856 C ASP A 56 -14.489 -12.862 5.941 1.00 0.00 C ATOM 857 O ASP A 56 -13.342 -13.147 5.596 1.00 0.00 O ATOM 858 CB ASP A 56 -16.155 -14.578 6.676 1.00 0.00 C ATOM 859 CG ASP A 56 -17.257 -15.538 6.274 1.00 0.00 C ATOM 860 OD1 ASP A 56 -18.408 -15.084 6.105 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.968 -16.744 6.128 1.00 0.00 O ATOM 0 H ASP A 56 -14.891 -15.459 4.631 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.480 -13.060 5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.315 -15.143 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.516 -13.929 7.474 1.00 0.00 H new ATOM 866 N TYR A 57 -14.775 -11.811 6.701 1.00 0.00 N ATOM 867 CA TYR A 57 -13.736 -10.909 7.182 1.00 0.00 C ATOM 868 C TYR A 57 -14.103 -10.331 8.545 1.00 0.00 C ATOM 869 O TYR A 57 -15.253 -9.966 8.786 1.00 0.00 O ATOM 870 CB TYR A 57 -13.511 -9.776 6.179 1.00 0.00 C ATOM 871 CG TYR A 57 -14.786 -9.262 5.549 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.358 -9.912 4.463 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.419 -8.128 6.042 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.523 -9.446 3.884 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.584 -7.655 5.470 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.132 -8.317 4.391 1.00 0.00 C ATOM 877 OH TYR A 57 -18.293 -7.851 3.819 1.00 0.00 O ATOM 0 H TYR A 57 -15.719 -11.563 6.997 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.814 -11.481 7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.007 -8.951 6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.843 -10.126 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.884 -10.797 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.993 -7.607 6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.954 -9.963 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.063 -6.772 5.865 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.593 -7.049 4.295 1.00 0.00 H new ATOM 887 N GLU A 58 -13.116 -10.251 9.432 1.00 0.00 N ATOM 888 CA GLU A 58 -13.335 -9.718 10.772 1.00 0.00 C ATOM 889 C GLU A 58 -12.383 -8.561 11.059 1.00 0.00 C ATOM 890 O GLU A 58 -11.193 -8.768 11.294 1.00 0.00 O ATOM 891 CB GLU A 58 -13.150 -10.818 11.819 1.00 0.00 C ATOM 892 CG GLU A 58 -13.027 -10.292 13.239 1.00 0.00 C ATOM 893 CD GLU A 58 -11.623 -9.823 13.568 1.00 0.00 C ATOM 894 OE1 GLU A 58 -10.680 -10.630 13.430 1.00 0.00 O ATOM 895 OE2 GLU A 58 -11.467 -8.649 13.965 1.00 0.00 O ATOM 0 H GLU A 58 -12.158 -10.548 9.247 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.358 -9.345 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.996 -11.504 11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.257 -11.394 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.724 -9.466 13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.318 -11.075 13.939 1.00 0.00 H new ATOM 902 N GLN A 59 -12.916 -7.344 11.038 1.00 0.00 N ATOM 903 CA GLN A 59 -12.114 -6.154 11.295 1.00 0.00 C ATOM 904 C GLN A 59 -11.525 -6.188 12.701 1.00 0.00 C ATOM 905 O GLN A 59 -12.256 -6.146 13.691 1.00 0.00 O ATOM 906 CB GLN A 59 -12.960 -4.893 11.113 1.00 0.00 C ATOM 907 CG GLN A 59 -12.166 -3.692 10.626 1.00 0.00 C ATOM 908 CD GLN A 59 -12.802 -2.373 11.020 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.956 -2.103 10.684 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.052 -1.544 11.735 1.00 0.00 N ATOM 0 H GLN A 59 -13.900 -7.156 10.846 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.293 -6.138 10.578 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.760 -5.102 10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.434 -4.644 12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.156 -3.740 11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.075 -3.737 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.101 -1.809 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.427 -0.642 12.029 1.00 0.00 H new ATOM 919 N ARG A 60 -10.201 -6.263 12.782 1.00 0.00 N ATOM 920 CA ARG A 60 -9.514 -6.304 14.067 1.00 0.00 C ATOM 921 C ARG A 60 -9.156 -4.897 14.537 1.00 0.00 C ATOM 922 O ARG A 60 -9.447 -4.519 15.672 1.00 0.00 O ATOM 923 CB ARG A 60 -8.249 -7.158 13.967 1.00 0.00 C ATOM 924 CG ARG A 60 -8.521 -8.653 13.974 1.00 0.00 C ATOM 925 CD ARG A 60 -8.963 -9.132 15.348 1.00 0.00 C ATOM 926 NE ARG A 60 -9.009 -10.589 15.431 1.00 0.00 N ATOM 927 CZ ARG A 60 -9.171 -11.256 16.569 1.00 0.00 C ATOM 928 NH1 ARG A 60 -9.302 -10.599 17.713 1.00 0.00 N ATOM 929 NH2 ARG A 60 -9.203 -12.583 16.563 1.00 0.00 N ATOM 0 H ARG A 60 -9.582 -6.297 11.972 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.188 -6.752 14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.717 -6.898 13.052 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.589 -6.914 14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.292 -8.887 13.240 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.621 -9.189 13.673 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.278 -8.747 16.104 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.948 -8.725 15.574 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.911 -11.124 14.568 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.279 -9.579 17.721 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.426 -11.113 18.585 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.103 -13.092 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.327 -13.094 17.437 1.00 0.00 H new ATOM 943 N GLU A 61 -8.523 -4.128 13.657 1.00 0.00 N ATOM 944 CA GLU A 61 -8.124 -2.764 13.983 1.00 0.00 C ATOM 945 C GLU A 61 -8.664 -1.778 12.951 1.00 0.00 C ATOM 946 O GLU A 61 -9.377 -2.162 12.024 1.00 0.00 O ATOM 947 CB GLU A 61 -6.600 -2.659 14.057 1.00 0.00 C ATOM 948 CG GLU A 61 -5.974 -3.584 15.087 1.00 0.00 C ATOM 949 CD GLU A 61 -4.476 -3.388 15.214 1.00 0.00 C ATOM 950 OE1 GLU A 61 -3.866 -2.841 14.272 1.00 0.00 O ATOM 951 OE2 GLU A 61 -3.914 -3.781 16.258 1.00 0.00 O ATOM 0 H GLU A 61 -8.276 -4.426 12.713 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.546 -2.512 14.956 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.181 -2.885 13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.326 -1.630 14.291 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.442 -3.412 16.056 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.179 -4.619 14.813 1.00 0.00 H new ATOM 958 N ARG A 62 -8.319 -0.506 13.121 1.00 0.00 N ATOM 959 CA ARG A 62 -8.770 0.536 12.206 1.00 0.00 C ATOM 960 C ARG A 62 -8.389 0.199 10.768 1.00 0.00 C ATOM 961 O ARG A 62 -9.233 0.212 9.871 1.00 0.00 O ATOM 962 CB ARG A 62 -8.170 1.887 12.601 1.00 0.00 C ATOM 963 CG ARG A 62 -8.387 2.977 11.565 1.00 0.00 C ATOM 964 CD ARG A 62 -8.474 4.351 12.211 1.00 0.00 C ATOM 965 NE ARG A 62 -7.166 4.991 12.316 1.00 0.00 N ATOM 966 CZ ARG A 62 -6.913 6.020 13.116 1.00 0.00 C ATOM 967 NH1 ARG A 62 -7.874 6.522 13.879 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.696 6.548 13.156 1.00 0.00 N ATOM 0 H ARG A 62 -7.729 -0.172 13.883 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.856 0.596 12.271 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.606 2.206 13.548 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.100 1.765 12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.569 2.964 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.304 2.776 11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.141 4.984 11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.912 4.257 13.205 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.404 4.628 11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.810 6.118 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.677 7.313 14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.954 6.163 12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.503 7.339 13.771 1.00 0.00 H new ATOM 982 N PHE A 63 -7.112 -0.101 10.554 1.00 0.00 N ATOM 983 CA PHE A 63 -6.618 -0.439 9.225 1.00 0.00 C ATOM 984 C PHE A 63 -6.194 -1.904 9.159 1.00 0.00 C ATOM 985 O PHE A 63 -5.164 -2.238 8.572 1.00 0.00 O ATOM 986 CB PHE A 63 -5.439 0.462 8.851 1.00 0.00 C ATOM 987 CG PHE A 63 -5.842 1.871 8.524 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.417 2.175 7.300 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.648 2.892 9.440 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.788 3.472 6.996 1.00 0.00 C ATOM 991 CE2 PHE A 63 -6.017 4.190 9.142 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.589 4.480 7.919 1.00 0.00 C ATOM 0 H PHE A 63 -6.400 -0.117 11.285 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.428 -0.280 8.513 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.728 0.478 9.677 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.921 0.032 7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.577 1.390 6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.203 2.671 10.399 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.233 3.697 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.858 4.977 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.880 5.493 7.685 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.994 -2.773 9.766 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.703 -4.202 9.777 1.00 0.00 C ATOM 1004 C LEU A 64 -7.985 -5.020 9.656 1.00 0.00 C ATOM 1005 O LEU A 64 -9.041 -4.615 10.145 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.962 -4.582 11.061 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.437 -6.016 11.134 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.162 -6.159 10.319 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.197 -6.423 12.580 1.00 0.00 C ATOM 0 H LEU A 64 -7.849 -2.513 10.257 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.069 -4.425 8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.120 -3.901 11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.632 -4.418 11.905 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.190 -6.681 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.803 -7.186 10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.366 -5.910 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.402 -5.484 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.824 -7.447 12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.463 -5.754 13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.133 -6.360 13.136 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.886 -6.174 9.005 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.037 -7.051 8.822 1.00 0.00 C ATOM 1023 C LEU A 65 -8.598 -8.506 8.699 1.00 0.00 C ATOM 1024 O LEU A 65 -7.642 -8.820 7.990 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.825 -6.637 7.577 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.936 -5.610 7.797 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.124 -4.753 6.555 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.238 -6.305 8.169 1.00 0.00 C ATOM 0 H LEU A 65 -7.020 -6.524 8.595 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.678 -6.957 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.125 -6.234 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.266 -7.531 7.137 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.645 -4.960 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.919 -4.028 6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.196 -4.227 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.393 -5.389 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.018 -5.559 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.533 -6.979 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.097 -6.875 9.087 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.305 -9.392 9.393 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.990 -10.815 9.362 1.00 0.00 C ATOM 1042 C PHE A 66 -9.718 -11.508 8.214 1.00 0.00 C ATOM 1043 O PHE A 66 -10.884 -11.884 8.340 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.368 -11.473 10.691 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.800 -12.853 10.860 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.524 -13.034 11.369 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.542 -13.970 10.511 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -6.999 -14.302 11.525 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.022 -15.241 10.665 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.749 -15.407 11.174 1.00 0.00 C ATOM 0 H PHE A 66 -10.100 -9.149 9.984 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.916 -10.920 9.205 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.021 -10.843 11.510 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.454 -11.524 10.766 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.933 -12.174 11.647 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.539 -13.846 10.114 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.002 -14.429 11.921 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.610 -16.103 10.388 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.341 -16.399 11.297 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.022 -11.674 7.094 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.601 -12.320 5.922 1.00 0.00 C ATOM 1062 C CYS A 67 -9.557 -13.838 6.061 1.00 0.00 C ATOM 1063 O CYS A 67 -8.594 -14.397 6.587 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.857 -11.890 4.657 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.040 -10.137 4.253 1.00 0.00 S ATOM 0 H CYS A 67 -8.056 -11.370 6.973 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.643 -12.010 5.845 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.797 -12.115 4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.216 -12.485 3.817 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.964 -9.978 2.965 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.607 -14.502 5.588 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.689 -15.955 5.659 1.00 0.00 C ATOM 1073 C VAL A 68 -11.511 -16.517 4.505 1.00 0.00 C ATOM 1074 O VAL A 68 -12.613 -16.044 4.225 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.311 -16.418 6.991 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.756 -15.955 7.094 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.215 -17.930 7.126 1.00 0.00 C ATOM 0 H VAL A 68 -11.413 -14.055 5.151 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.669 -16.333 5.592 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.751 -15.967 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.179 -16.291 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.794 -14.867 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.332 -16.375 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.659 -18.240 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.749 -18.403 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.168 -18.232 7.100 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.968 -17.531 3.837 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.652 -18.159 2.713 1.00 0.00 C ATOM 1089 C HIS A 69 -12.235 -19.510 3.117 1.00 0.00 C ATOM 1090 O HIS A 69 -11.541 -20.351 3.687 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.690 -18.337 1.538 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.219 -19.231 0.460 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -12.411 -19.234 -0.181 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.494 -20.274 -0.076 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.385 -20.268 -1.085 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.217 -20.879 -1.002 1.00 0.00 N flip ATOM 0 H HIS A 69 -10.057 -17.934 4.055 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.470 -17.507 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.467 -17.359 1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.750 -18.745 1.908 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -13.185 -18.589 -0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.492 -20.553 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.189 -20.537 -1.754 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.515 -19.710 2.818 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.170 -20.960 3.159 1.00 0.00 C ATOM 1107 C GLY A 70 -14.861 -21.595 1.969 1.00 0.00 C ATOM 1108 O GLY A 70 -16.090 -21.623 1.898 1.00 0.00 O ATOM 0 H GLY A 70 -14.110 -19.029 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.433 -21.655 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.901 -20.780 3.947 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.070 -22.106 1.031 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.614 -22.744 -0.163 1.00 0.00 C ATOM 1114 C ASP A 71 -15.670 -23.779 0.208 1.00 0.00 C ATOM 1115 O ASP A 71 -16.694 -23.904 -0.463 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.494 -23.405 -0.968 1.00 0.00 C ATOM 1117 CG ASP A 71 -13.841 -23.542 -2.437 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -14.669 -24.414 -2.772 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.283 -22.778 -3.253 1.00 0.00 O ATOM 0 H ASP A 71 -13.051 -22.091 1.074 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.085 -21.974 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.582 -22.817 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.286 -24.391 -0.553 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.414 -24.522 1.281 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.352 -25.538 1.721 1.00 0.00 C ATOM 1126 C GLY A 72 -16.195 -25.874 3.191 1.00 0.00 C ATOM 1127 O GLY A 72 -17.156 -25.804 3.957 1.00 0.00 O ATOM 0 H GLY A 72 -14.574 -24.438 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.369 -25.193 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.209 -26.441 1.128 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.980 -26.242 3.586 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.701 -26.591 4.975 1.00 0.00 C ATOM 1133 C HIS A 73 -13.263 -26.239 5.345 1.00 0.00 C ATOM 1134 O HIS A 73 -12.516 -25.701 4.529 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.951 -28.081 5.208 1.00 0.00 C ATOM 1136 CG HIS A 73 -16.351 -28.394 5.637 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -17.503 -28.445 4.929 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -16.689 -28.701 6.938 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -18.506 -28.779 5.806 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -17.988 -28.928 7.012 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.174 -26.306 2.965 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.372 -26.014 5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.731 -28.626 4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -14.258 -28.443 5.967 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.999 -28.748 7.767 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -19.548 -28.900 5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -18.503 -29.176 7.857 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.884 -26.547 6.581 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.536 -26.265 7.058 1.00 0.00 C ATOM 1151 C ALA A 74 -10.487 -26.837 6.111 1.00 0.00 C ATOM 1152 O ALA A 74 -9.413 -26.262 5.940 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.344 -26.824 8.460 1.00 0.00 C ATOM 0 H ALA A 74 -13.491 -26.992 7.270 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.408 -25.183 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.333 -26.606 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.064 -26.364 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.497 -27.903 8.446 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.806 -27.973 5.498 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.889 -28.623 4.569 1.00 0.00 C ATOM 1161 C GLU A 75 -9.385 -27.635 3.521 1.00 0.00 C ATOM 1162 O GLU A 75 -8.202 -27.619 3.186 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.576 -29.805 3.883 1.00 0.00 C ATOM 1164 CG GLU A 75 -10.833 -30.981 4.810 1.00 0.00 C ATOM 1165 CD GLU A 75 -11.451 -32.166 4.093 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -12.216 -31.943 3.131 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -11.170 -33.315 4.492 1.00 0.00 O ATOM 0 H GLU A 75 -11.692 -28.462 5.628 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.035 -28.989 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.525 -29.470 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.959 -30.139 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.894 -31.289 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.494 -30.665 5.617 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.294 -26.812 3.007 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.943 -25.821 1.996 1.00 0.00 C ATOM 1176 C ASN A 76 -10.056 -24.408 2.558 1.00 0.00 C ATOM 1177 O ASN A 76 -10.240 -23.444 1.813 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.849 -25.969 0.772 1.00 0.00 C ATOM 1179 CG ASN A 76 -12.321 -25.932 1.134 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.812 -24.945 1.683 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -13.033 -27.009 0.826 1.00 0.00 N ATOM 0 H ASN A 76 -11.278 -26.812 3.274 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.909 -25.993 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.632 -25.169 0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.625 -26.910 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.029 -27.041 1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.584 -27.804 0.371 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.943 -24.290 3.877 1.00 0.00 N ATOM 1189 CA LEU A 77 -10.031 -22.994 4.540 1.00 0.00 C ATOM 1190 C LEU A 77 -8.649 -22.367 4.696 1.00 0.00 C ATOM 1191 O LEU A 77 -7.671 -23.058 4.981 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.694 -23.144 5.910 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.056 -21.842 6.627 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.460 -21.398 6.249 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.935 -22.012 8.134 1.00 0.00 C ATOM 0 H LEU A 77 -9.790 -25.077 4.508 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.640 -22.336 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.603 -23.733 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.026 -23.716 6.554 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.356 -21.068 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.700 -20.470 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.513 -21.235 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.175 -22.170 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.196 -21.076 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.612 -22.799 8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.910 -22.283 8.388 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.577 -21.053 4.510 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.315 -20.332 4.633 1.00 0.00 C ATOM 1209 C VAL A 78 -7.513 -18.997 5.343 1.00 0.00 C ATOM 1210 O VAL A 78 -8.346 -18.186 4.939 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.676 -20.079 3.255 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.446 -19.195 3.391 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.324 -21.397 2.581 1.00 0.00 C ATOM 0 H VAL A 78 -9.377 -20.466 4.274 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.648 -20.959 5.224 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.400 -19.559 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.008 -19.027 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.732 -18.239 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.715 -19.685 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.874 -21.199 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.618 -21.947 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.228 -21.991 2.448 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.740 -18.776 6.401 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.831 -17.538 7.167 1.00 0.00 C ATOM 1225 C GLN A 79 -5.615 -16.652 6.916 1.00 0.00 C ATOM 1226 O GLN A 79 -4.474 -17.099 7.037 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.952 -17.846 8.661 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.296 -18.439 9.052 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.244 -19.180 10.374 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.762 -18.651 11.376 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.742 -20.411 10.383 1.00 0.00 N ATOM 0 H GLN A 79 -6.044 -19.437 6.747 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.722 -17.002 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.161 -18.540 8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.790 -16.929 9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.036 -17.641 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.629 -19.121 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.132 -20.810 9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.735 -20.958 11.244 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.867 -15.396 6.565 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.792 -14.448 6.296 1.00 0.00 C ATOM 1242 C TRP A 80 -5.203 -13.033 6.691 1.00 0.00 C ATOM 1243 O TRP A 80 -6.264 -12.553 6.294 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.409 -14.487 4.816 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.366 -13.743 3.935 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.284 -12.432 3.559 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.549 -14.265 3.321 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.345 -12.109 2.748 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.135 -13.216 2.586 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.169 -15.518 3.319 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.311 -13.383 1.860 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.336 -15.682 2.597 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.897 -14.620 1.875 1.00 0.00 C ATOM 0 H TRP A 80 -6.806 -15.011 6.460 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.928 -14.736 6.895 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.411 -14.065 4.695 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.357 -15.525 4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.501 -11.750 3.856 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.517 -11.193 2.334 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.744 -16.343 3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.746 -12.565 1.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.824 -16.645 2.589 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.809 -14.781 1.320 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.357 -12.372 7.474 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.634 -11.012 7.921 1.00 0.00 C ATOM 1266 C GLU A 81 -4.191 -9.994 6.875 1.00 0.00 C ATOM 1267 O GLU A 81 -3.038 -9.991 6.445 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.928 -10.735 9.250 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.750 -11.119 10.468 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.269 -10.440 11.735 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.901 -9.248 11.665 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.260 -11.098 12.796 1.00 0.00 O ATOM 0 H GLU A 81 -3.474 -12.756 7.812 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.710 -10.916 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.985 -11.282 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.683 -9.674 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.794 -10.858 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.710 -12.200 10.602 1.00 0.00 H new ATOM 1279 N MET A 82 -5.116 -9.131 6.468 1.00 0.00 N ATOM 1280 CA MET A 82 -4.821 -8.107 5.473 1.00 0.00 C ATOM 1281 C MET A 82 -4.557 -6.761 6.139 1.00 0.00 C ATOM 1282 O MET A 82 -5.487 -6.081 6.574 1.00 0.00 O ATOM 1283 CB MET A 82 -5.980 -7.980 4.482 1.00 0.00 C ATOM 1284 CG MET A 82 -5.909 -8.974 3.334 1.00 0.00 C ATOM 1285 SD MET A 82 -4.711 -8.497 2.074 1.00 0.00 S ATOM 1286 CE MET A 82 -5.775 -7.684 0.885 1.00 0.00 C ATOM 0 H MET A 82 -6.076 -9.121 6.812 1.00 0.00 H new ATOM 0 HA MET A 82 -3.922 -8.408 4.934 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.920 -8.120 5.015 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.991 -6.969 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.647 -9.957 3.725 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.894 -9.066 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.271 -7.634 -0.080 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.702 -8.248 0.781 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.001 -6.675 1.229 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.285 -6.382 6.216 1.00 0.00 N ATOM 1297 CA GLU A 83 -2.901 -5.117 6.831 1.00 0.00 C ATOM 1298 C GLU A 83 -2.542 -4.082 5.768 1.00 0.00 C ATOM 1299 O GLU A 83 -1.638 -4.294 4.960 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.717 -5.324 7.778 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.329 -4.074 8.549 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.182 -4.314 9.512 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.085 -5.438 10.048 1.00 0.00 O ATOM 1304 OE2 GLU A 83 0.616 -3.380 9.730 1.00 0.00 O ATOM 0 H GLU A 83 -2.504 -6.933 5.860 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.753 -4.746 7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.963 -6.116 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.857 -5.667 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.049 -3.290 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.194 -3.711 9.104 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.259 -2.963 5.776 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.017 -1.894 4.814 1.00 0.00 C ATOM 1313 C VAL A 84 -1.936 -0.941 5.311 1.00 0.00 C ATOM 1314 O VAL A 84 -2.177 -0.122 6.199 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.301 -1.093 4.530 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.020 0.040 3.555 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.392 -2.008 3.995 1.00 0.00 C ATOM 0 H VAL A 84 -4.012 -2.773 6.437 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.682 -2.369 3.892 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.650 -0.657 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.939 0.594 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.273 0.710 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.646 -0.371 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.292 -1.425 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.054 -2.475 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.613 -2.781 4.732 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.745 -1.053 4.734 1.00 0.00 N ATOM 1328 CA CYS A 85 0.375 -0.201 5.119 1.00 0.00 C ATOM 1329 C CYS A 85 0.693 0.807 4.021 1.00 0.00 C ATOM 1330 O CYS A 85 0.287 0.638 2.871 1.00 0.00 O ATOM 1331 CB CYS A 85 1.609 -1.052 5.421 1.00 0.00 C ATOM 1332 SG CYS A 85 2.878 -0.195 6.383 1.00 0.00 S ATOM 0 H CYS A 85 -0.530 -1.725 3.998 1.00 0.00 H new ATOM 0 HA CYS A 85 0.092 0.346 6.018 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.298 -1.945 5.964 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.046 -1.387 4.480 1.00 0.00 H new ATOM 0 HG CYS A 85 4.049 -0.667 6.074 1.00 0.00 H new ATOM 1338 N LYS A 86 1.421 1.859 4.383 1.00 0.00 N ATOM 1339 CA LYS A 86 1.794 2.896 3.429 1.00 0.00 C ATOM 1340 C LYS A 86 3.280 2.818 3.094 1.00 0.00 C ATOM 1341 O LYS A 86 4.098 2.445 3.936 1.00 0.00 O ATOM 1342 CB LYS A 86 1.460 4.279 3.992 1.00 0.00 C ATOM 1343 CG LYS A 86 2.198 4.607 5.278 1.00 0.00 C ATOM 1344 CD LYS A 86 3.527 5.289 5.001 1.00 0.00 C ATOM 1345 CE LYS A 86 3.924 6.219 6.137 1.00 0.00 C ATOM 1346 NZ LYS A 86 5.321 6.712 5.987 1.00 0.00 N ATOM 0 H LYS A 86 1.764 2.015 5.331 1.00 0.00 H new ATOM 0 HA LYS A 86 1.224 2.735 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.699 5.034 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.387 4.339 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.579 5.254 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.369 3.691 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.301 4.535 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.460 5.856 4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.241 7.068 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.824 5.695 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.554 7.343 6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.976 5.904 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.411 7.234 5.092 1.00 0.00 H new ATOM 1360 N LEU A 87 3.623 3.172 1.860 1.00 0.00 N ATOM 1361 CA LEU A 87 5.012 3.144 1.414 1.00 0.00 C ATOM 1362 C LEU A 87 5.631 4.537 1.471 1.00 0.00 C ATOM 1363 O LEU A 87 4.935 5.551 1.511 1.00 0.00 O ATOM 1364 CB LEU A 87 5.100 2.592 -0.010 1.00 0.00 C ATOM 1365 CG LEU A 87 5.187 1.071 -0.136 1.00 0.00 C ATOM 1366 CD1 LEU A 87 5.044 0.646 -1.589 1.00 0.00 C ATOM 1367 CD2 LEU A 87 6.500 0.562 0.443 1.00 0.00 C ATOM 0 H LEU A 87 2.959 3.482 1.151 1.00 0.00 H new ATOM 0 HA LEU A 87 5.570 2.491 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.226 2.933 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.975 3.027 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 87 4.367 0.632 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.109 -0.440 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.079 0.977 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.842 1.095 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.545 -0.523 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.334 1.010 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.563 0.834 1.497 1.00 0.00 H new ATOM 1379 N PRO A 88 6.971 4.589 1.472 1.00 0.00 N ATOM 1380 CA PRO A 88 7.714 5.852 1.521 1.00 0.00 C ATOM 1381 C PRO A 88 7.586 6.650 0.228 1.00 0.00 C ATOM 1382 O PRO A 88 8.328 7.606 0.002 1.00 0.00 O ATOM 1383 CB PRO A 88 9.162 5.404 1.733 1.00 0.00 C ATOM 1384 CG PRO A 88 9.218 4.025 1.172 1.00 0.00 C ATOM 1385 CD PRO A 88 7.865 3.420 1.426 1.00 0.00 C ATOM 0 HA PRO A 88 7.341 6.515 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.860 6.068 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.428 5.413 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.442 4.046 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.003 3.440 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.580 2.727 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.844 2.861 2.362 1.00 0.00 H new ATOM 1393 N ARG A 89 6.642 6.250 -0.618 1.00 0.00 N ATOM 1394 CA ARG A 89 6.418 6.928 -1.889 1.00 0.00 C ATOM 1395 C ARG A 89 4.931 6.972 -2.228 1.00 0.00 C ATOM 1396 O ARG A 89 4.326 5.948 -2.548 1.00 0.00 O ATOM 1397 CB ARG A 89 7.187 6.224 -3.009 1.00 0.00 C ATOM 1398 CG ARG A 89 8.605 6.738 -3.191 1.00 0.00 C ATOM 1399 CD ARG A 89 9.142 6.414 -4.577 1.00 0.00 C ATOM 1400 NE ARG A 89 10.178 7.354 -4.996 1.00 0.00 N ATOM 1401 CZ ARG A 89 10.497 7.577 -6.266 1.00 0.00 C ATOM 1402 NH1 ARG A 89 9.864 6.930 -7.236 1.00 0.00 N ATOM 1403 NH2 ARG A 89 11.451 8.448 -6.569 1.00 0.00 N ATOM 0 H ARG A 89 6.020 5.460 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 89 6.781 7.951 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.221 5.155 -2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.642 6.347 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.625 7.817 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.254 6.295 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.547 5.402 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.323 6.432 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 89 10.684 7.867 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.130 6.259 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.111 7.103 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.940 8.947 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.695 8.618 -7.545 1.00 0.00 H new ATOM 1417 N LEU A 90 4.348 8.163 -2.154 1.00 0.00 N ATOM 1418 CA LEU A 90 2.931 8.341 -2.452 1.00 0.00 C ATOM 1419 C LEU A 90 2.485 7.394 -3.562 1.00 0.00 C ATOM 1420 O LEU A 90 1.326 6.983 -3.613 1.00 0.00 O ATOM 1421 CB LEU A 90 2.653 9.789 -2.860 1.00 0.00 C ATOM 1422 CG LEU A 90 2.621 10.811 -1.724 1.00 0.00 C ATOM 1423 CD1 LEU A 90 2.597 12.227 -2.280 1.00 0.00 C ATOM 1424 CD2 LEU A 90 1.418 10.570 -0.823 1.00 0.00 C ATOM 0 H LEU A 90 4.834 9.020 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 90 2.364 8.108 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.414 10.096 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.695 9.822 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 90 3.526 10.691 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.574 12.941 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.489 12.396 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.710 12.360 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.412 11.307 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.502 10.661 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.478 9.569 -0.396 1.00 0.00 H new ATOM 1436 N SER A 91 3.414 7.049 -4.448 1.00 0.00 N ATOM 1437 CA SER A 91 3.116 6.151 -5.558 1.00 0.00 C ATOM 1438 C SER A 91 2.052 5.132 -5.161 1.00 0.00 C ATOM 1439 O SER A 91 1.205 4.755 -5.972 1.00 0.00 O ATOM 1440 CB SER A 91 4.386 5.429 -6.012 1.00 0.00 C ATOM 1441 OG SER A 91 5.292 6.329 -6.626 1.00 0.00 O ATOM 0 H SER A 91 4.379 7.378 -4.419 1.00 0.00 H new ATOM 0 HA SER A 91 2.731 6.749 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.864 4.954 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.126 4.635 -6.712 1.00 0.00 H new ATOM 0 HG SER A 91 6.096 5.844 -6.906 1.00 0.00 H new ATOM 1447 N LEU A 92 2.103 4.689 -3.910 1.00 0.00 N ATOM 1448 CA LEU A 92 1.144 3.713 -3.404 1.00 0.00 C ATOM 1449 C LEU A 92 1.339 3.483 -1.909 1.00 0.00 C ATOM 1450 O LEU A 92 2.240 4.053 -1.295 1.00 0.00 O ATOM 1451 CB LEU A 92 1.287 2.390 -4.159 1.00 0.00 C ATOM 1452 CG LEU A 92 2.697 1.802 -4.221 1.00 0.00 C ATOM 1453 CD1 LEU A 92 2.643 0.282 -4.196 1.00 0.00 C ATOM 1454 CD2 LEU A 92 3.425 2.291 -5.465 1.00 0.00 C ATOM 0 H LEU A 92 2.798 4.990 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 92 0.141 4.109 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.629 1.656 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.931 2.536 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 92 3.250 2.140 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.656 -0.119 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.162 -0.050 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.073 -0.076 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.427 1.862 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.874 1.983 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.496 3.378 -5.441 1.00 0.00 H new ATOM 1466 N ASN A 93 0.490 2.640 -1.330 1.00 0.00 N ATOM 1467 CA ASN A 93 0.570 2.333 0.094 1.00 0.00 C ATOM 1468 C ASN A 93 1.194 0.958 0.319 1.00 0.00 C ATOM 1469 O ASN A 93 2.030 0.782 1.203 1.00 0.00 O ATOM 1470 CB ASN A 93 -0.822 2.383 0.727 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.721 1.265 0.236 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.403 1.501 -0.879 1.00 0.00 O flip ATOM 1473 ND2 ASN A 93 -1.802 0.203 0.852 1.00 0.00 N flip ATOM 0 H ASN A 93 -0.261 2.158 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 93 1.204 3.083 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.728 2.320 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.286 3.344 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.259 0.065 1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.412 -0.540 0.510 1.00 0.00 H new ATOM 1480 N GLY A 94 0.780 -0.013 -0.489 1.00 0.00 N ATOM 1481 CA GLY A 94 1.308 -1.359 -0.363 1.00 0.00 C ATOM 1482 C GLY A 94 0.383 -2.274 0.415 1.00 0.00 C ATOM 1483 O GLY A 94 -0.224 -1.861 1.403 1.00 0.00 O ATOM 0 H GLY A 94 0.088 0.108 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.474 -1.775 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.278 -1.321 0.133 1.00 0.00 H new ATOM 1487 N VAL A 95 0.274 -3.521 -0.033 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.585 -4.497 0.628 1.00 0.00 C ATOM 1489 C VAL A 95 0.155 -5.810 0.861 1.00 0.00 C ATOM 1490 O VAL A 95 0.456 -6.540 -0.083 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.855 -4.776 -0.197 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.728 -5.809 0.499 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.628 -3.487 -0.435 1.00 0.00 C ATOM 0 H VAL A 95 0.769 -3.879 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.872 -4.069 1.588 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.558 -5.180 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.621 -5.993 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.170 -6.738 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.019 -5.437 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.523 -3.702 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.916 -3.053 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.000 -2.781 -0.979 1.00 0.00 H new ATOM 1503 N ARG A 96 0.443 -6.104 2.124 1.00 0.00 N ATOM 1504 CA ARG A 96 1.148 -7.329 2.482 1.00 0.00 C ATOM 1505 C ARG A 96 0.170 -8.400 2.955 1.00 0.00 C ATOM 1506 O ARG A 96 -0.919 -8.092 3.439 1.00 0.00 O ATOM 1507 CB ARG A 96 2.181 -7.048 3.575 1.00 0.00 C ATOM 1508 CG ARG A 96 1.566 -6.753 4.933 1.00 0.00 C ATOM 1509 CD ARG A 96 2.631 -6.425 5.968 1.00 0.00 C ATOM 1510 NE ARG A 96 3.092 -5.043 5.859 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.146 -4.567 6.513 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.844 -5.357 7.317 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.503 -3.298 6.362 1.00 0.00 N ATOM 0 H ARG A 96 0.199 -5.511 2.917 1.00 0.00 H new ATOM 0 HA ARG A 96 1.661 -7.696 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.845 -7.908 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.796 -6.201 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.872 -5.917 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.987 -7.614 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.230 -6.596 6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.477 -7.101 5.844 1.00 0.00 H new ATOM 0 HE ARG A 96 2.577 -4.409 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.572 -6.333 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.653 -4.989 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.968 -2.688 5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.312 -2.933 6.864 1.00 0.00 H new ATOM 1527 N PHE A 97 0.566 -9.661 2.811 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.275 -10.778 3.222 1.00 0.00 C ATOM 1529 C PHE A 97 0.355 -11.534 4.389 1.00 0.00 C ATOM 1530 O PHE A 97 1.547 -11.842 4.373 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.504 -11.731 2.047 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.500 -11.220 1.046 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.304 -10.002 0.414 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.632 -11.956 0.737 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.219 -9.529 -0.508 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.550 -11.488 -0.184 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.344 -10.272 -0.807 1.00 0.00 C ATOM 0 H PHE A 97 1.464 -9.934 2.413 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.234 -10.376 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.446 -11.909 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.847 -12.692 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.427 -9.416 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.799 -12.907 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.054 -8.579 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.428 -12.072 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.061 -9.904 -1.526 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.454 -11.829 5.401 1.00 0.00 N ATOM 1548 CA LYS A 98 0.022 -12.548 6.576 1.00 0.00 C ATOM 1549 C LYS A 98 -0.743 -13.855 6.761 1.00 0.00 C ATOM 1550 O LYS A 98 -1.897 -13.855 7.190 1.00 0.00 O ATOM 1551 CB LYS A 98 -0.125 -11.678 7.826 1.00 0.00 C ATOM 1552 CG LYS A 98 0.842 -12.044 8.939 1.00 0.00 C ATOM 1553 CD LYS A 98 0.376 -13.272 9.702 1.00 0.00 C ATOM 1554 CE LYS A 98 1.552 -14.084 10.223 1.00 0.00 C ATOM 1555 NZ LYS A 98 1.943 -13.673 11.600 1.00 0.00 N ATOM 0 H LYS A 98 -1.443 -11.581 5.431 1.00 0.00 H new ATOM 0 HA LYS A 98 1.076 -12.782 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.028 -10.634 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.145 -11.763 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.830 -12.230 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.942 -11.204 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.254 -12.965 10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.238 -13.895 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.292 -15.143 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.403 -13.963 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.748 -14.250 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.215 -12.669 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.139 -13.813 12.245 1.00 0.00 H new ATOM 1569 N ARG A 99 -0.092 -14.967 6.435 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.712 -16.281 6.565 1.00 0.00 C ATOM 1571 C ARG A 99 -1.017 -16.595 8.027 1.00 0.00 C ATOM 1572 O ARG A 99 -0.218 -16.299 8.916 1.00 0.00 O ATOM 1573 CB ARG A 99 0.202 -17.359 5.981 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.454 -18.727 5.883 1.00 0.00 C ATOM 1575 CD ARG A 99 0.428 -19.717 5.139 1.00 0.00 C ATOM 1576 NE ARG A 99 0.234 -21.085 5.610 1.00 0.00 N ATOM 1577 CZ ARG A 99 1.118 -22.059 5.425 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.252 -21.815 4.782 1.00 0.00 N ATOM 1579 NH2 ARG A 99 0.870 -23.279 5.884 1.00 0.00 N ATOM 0 H ARG A 99 0.864 -14.985 6.079 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.650 -16.270 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.526 -17.049 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.097 -17.438 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.662 -19.104 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.412 -18.636 5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.209 -19.667 4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.474 -19.436 5.264 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.628 -21.305 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.447 -20.878 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.930 -22.564 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.001 -23.470 6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.550 -24.026 5.741 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.178 -17.196 8.267 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.588 -17.550 9.620 1.00 0.00 C ATOM 1595 C ILE A 100 -2.710 -19.062 9.779 1.00 0.00 C ATOM 1596 O ILE A 100 -2.172 -19.643 10.721 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.933 -16.897 9.990 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.843 -15.376 9.843 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.333 -17.274 11.408 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -2.948 -14.721 10.872 1.00 0.00 C ATOM 0 H ILE A 100 -2.850 -17.448 7.543 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.815 -17.177 10.292 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.699 -17.265 9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.472 -15.137 8.846 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.844 -14.952 9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.285 -16.805 11.654 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.432 -18.357 11.482 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.568 -16.931 12.105 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.932 -13.644 10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.330 -14.929 11.872 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.937 -15.117 10.780 1.00 0.00 H new ATOM 1612 N SER A 101 -3.420 -19.694 8.850 1.00 0.00 N ATOM 1613 CA SER A 101 -3.615 -21.139 8.888 1.00 0.00 C ATOM 1614 C SER A 101 -3.817 -21.697 7.482 1.00 0.00 C ATOM 1615 O SER A 101 -3.908 -20.946 6.511 1.00 0.00 O ATOM 1616 CB SER A 101 -4.817 -21.490 9.766 1.00 0.00 C ATOM 1617 OG SER A 101 -6.035 -21.197 9.104 1.00 0.00 O ATOM 0 H SER A 101 -3.870 -19.228 8.062 1.00 0.00 H new ATOM 0 HA SER A 101 -2.719 -21.591 9.314 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.786 -22.548 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.764 -20.932 10.701 1.00 0.00 H new ATOM 0 HG SER A 101 -6.730 -21.817 9.408 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.887 -23.021 7.382 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.078 -23.658 6.092 1.00 0.00 C ATOM 1625 C GLY A 102 -2.769 -23.921 5.376 1.00 0.00 C ATOM 1626 O GLY A 102 -1.711 -23.466 5.812 1.00 0.00 O ATOM 0 H GLY A 102 -3.815 -23.664 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.608 -24.600 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.709 -23.026 5.468 1.00 0.00 H new ATOM 1630 N THR A 103 -2.837 -24.660 4.273 1.00 0.00 N ATOM 1631 CA THR A 103 -1.648 -24.986 3.496 1.00 0.00 C ATOM 1632 C THR A 103 -1.187 -23.792 2.669 1.00 0.00 C ATOM 1633 O THR A 103 -1.974 -22.898 2.360 1.00 0.00 O ATOM 1634 CB THR A 103 -1.901 -26.180 2.556 1.00 0.00 C ATOM 1635 OG1 THR A 103 -2.908 -25.843 1.596 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.335 -27.407 3.344 1.00 0.00 C ATOM 0 H THR A 103 -3.704 -25.044 3.898 1.00 0.00 H new ATOM 0 HA THR A 103 -0.868 -25.253 4.209 1.00 0.00 H new ATOM 0 HB THR A 103 -0.969 -26.411 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.062 -26.607 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.508 -28.237 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.554 -27.679 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.255 -27.185 3.885 1.00 0.00 H new ATOM 1644 N SER A 104 0.094 -23.783 2.313 1.00 0.00 N ATOM 1645 CA SER A 104 0.661 -22.696 1.524 1.00 0.00 C ATOM 1646 C SER A 104 0.022 -22.639 0.140 1.00 0.00 C ATOM 1647 O SER A 104 -0.437 -21.584 -0.301 1.00 0.00 O ATOM 1648 CB SER A 104 2.175 -22.869 1.392 1.00 0.00 C ATOM 1649 OG SER A 104 2.771 -23.124 2.652 1.00 0.00 O ATOM 0 H SER A 104 0.759 -24.517 2.559 1.00 0.00 H new ATOM 0 HA SER A 104 0.453 -21.759 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.392 -23.691 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.610 -21.970 0.956 1.00 0.00 H new ATOM 0 HG SER A 104 3.739 -23.232 2.540 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.005 -23.780 -0.540 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.589 -23.861 -1.873 1.00 0.00 C ATOM 1657 C ILE A 105 -1.843 -23.000 -1.978 1.00 0.00 C ATOM 1658 O ILE A 105 -1.885 -22.038 -2.743 1.00 0.00 O ATOM 1659 CB ILE A 105 -0.944 -25.313 -2.245 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.329 -26.147 -2.407 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.771 -25.345 -3.522 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.148 -25.770 -3.621 1.00 0.00 C ATOM 0 H ILE A 105 0.371 -24.661 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 105 0.163 -23.489 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.538 -25.744 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.944 -26.033 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.057 -27.200 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.014 -26.378 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.692 -24.781 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.200 -24.899 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.035 -26.402 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.550 -25.911 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.450 -24.726 -3.546 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.862 -23.352 -1.201 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.116 -22.609 -1.203 1.00 0.00 C ATOM 1676 C ALA A 106 -3.872 -21.119 -0.989 1.00 0.00 C ATOM 1677 O ALA A 106 -4.537 -20.278 -1.593 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.052 -23.152 -0.134 1.00 0.00 C ATOM 0 H ALA A 106 -2.844 -24.147 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.584 -22.737 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.985 -22.588 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.261 -24.203 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.582 -23.054 0.845 1.00 0.00 H new ATOM 1684 N PHE A 107 -2.915 -20.800 -0.124 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.584 -19.410 0.171 1.00 0.00 C ATOM 1686 C PHE A 107 -2.256 -18.646 -1.108 1.00 0.00 C ATOM 1687 O PHE A 107 -2.772 -17.553 -1.343 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.401 -19.340 1.139 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.213 -17.985 1.758 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.010 -17.574 2.814 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.239 -17.121 1.283 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.839 -16.327 3.386 1.00 0.00 C ATOM 1693 CE2 PHE A 107 -0.063 -15.873 1.851 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.865 -15.476 2.903 1.00 0.00 C ATOM 0 H PHE A 107 -2.355 -21.484 0.385 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.453 -18.946 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.545 -20.075 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.490 -19.618 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.774 -18.236 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.390 -17.426 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.466 -16.019 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.701 -15.209 1.473 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.730 -14.501 3.347 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.391 -19.228 -1.933 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.992 -18.604 -3.189 1.00 0.00 C ATOM 1706 C LYS A 108 -2.099 -18.724 -4.231 1.00 0.00 C ATOM 1707 O LYS A 108 -2.397 -17.768 -4.946 1.00 0.00 O ATOM 1708 CB LYS A 108 0.291 -19.249 -3.717 1.00 0.00 C ATOM 1709 CG LYS A 108 1.536 -18.843 -2.947 1.00 0.00 C ATOM 1710 CD LYS A 108 1.807 -19.787 -1.787 1.00 0.00 C ATOM 1711 CE LYS A 108 2.627 -20.990 -2.228 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.049 -20.631 -2.479 1.00 0.00 N ATOM 0 H LYS A 108 -0.953 -20.132 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.809 -17.547 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.186 -20.333 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.418 -18.980 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.394 -18.835 -3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.417 -17.827 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.337 -19.253 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.861 -20.125 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.578 -21.763 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.194 -21.412 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.620 -21.498 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.121 -20.102 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.402 -20.042 -1.698 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.707 -19.903 -4.311 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.782 -20.147 -5.265 1.00 0.00 C ATOM 1728 C ASN A 109 -4.875 -19.090 -5.135 1.00 0.00 C ATOM 1729 O ASN A 109 -5.404 -18.603 -6.135 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.376 -21.540 -5.052 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.610 -22.616 -5.796 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.609 -23.191 -5.140 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.914 -22.926 -6.948 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.473 -20.705 -3.726 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.362 -20.089 -6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.380 -21.771 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.415 -21.543 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.691 -22.458 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.389 -23.651 -7.436 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.207 -18.740 -3.897 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.235 -17.740 -3.636 1.00 0.00 C ATOM 1742 C ILE A 110 -5.650 -16.332 -3.658 1.00 0.00 C ATOM 1743 O ILE A 110 -6.338 -15.368 -3.994 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.920 -17.978 -2.278 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.252 -17.228 -2.215 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.008 -17.544 -1.141 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.239 -17.660 -3.278 1.00 0.00 C ATOM 0 H ILE A 110 -4.779 -19.134 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.977 -17.835 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.119 -19.044 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.699 -17.379 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.063 -16.159 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.507 -17.719 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.083 -18.119 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.780 -16.483 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.160 -17.087 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.812 -17.483 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.457 -18.722 -3.162 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.375 -16.221 -3.299 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.696 -14.931 -3.281 1.00 0.00 C ATOM 1761 C ALA A 111 -3.681 -14.299 -4.668 1.00 0.00 C ATOM 1762 O ALA A 111 -3.736 -13.077 -4.805 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.277 -15.089 -2.755 1.00 0.00 C ATOM 0 H ALA A 111 -3.792 -17.009 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.247 -14.267 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.782 -14.118 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.307 -15.489 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.724 -15.773 -3.399 1.00 0.00 H new ATOM 1769 N SER A 112 -3.606 -15.140 -5.695 1.00 0.00 N ATOM 1770 CA SER A 112 -3.579 -14.662 -7.073 1.00 0.00 C ATOM 1771 C SER A 112 -4.868 -13.921 -7.417 1.00 0.00 C ATOM 1772 O SER A 112 -4.837 -12.801 -7.927 1.00 0.00 O ATOM 1773 CB SER A 112 -3.378 -15.833 -8.037 1.00 0.00 C ATOM 1774 OG SER A 112 -3.419 -15.397 -9.385 1.00 0.00 O ATOM 0 H SER A 112 -3.563 -16.155 -5.599 1.00 0.00 H new ATOM 0 HA SER A 112 -2.744 -13.969 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.420 -16.313 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.152 -16.582 -7.870 1.00 0.00 H new ATOM 0 HG SER A 112 -3.287 -16.164 -9.981 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.001 -14.555 -7.133 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.302 -13.957 -7.410 1.00 0.00 C ATOM 1782 C LYS A 113 -7.447 -12.616 -6.698 1.00 0.00 C ATOM 1783 O LYS A 113 -7.531 -11.569 -7.341 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.423 -14.903 -6.972 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.414 -16.235 -7.701 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.772 -16.915 -7.636 1.00 0.00 C ATOM 1787 CE LYS A 113 -10.676 -16.464 -8.772 1.00 0.00 C ATOM 1788 NZ LYS A 113 -11.447 -15.241 -8.416 1.00 0.00 N ATOM 0 H LYS A 113 -6.045 -15.483 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.376 -13.787 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.336 -15.084 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.384 -14.415 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.134 -16.079 -8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.658 -16.886 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.641 -17.996 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.247 -16.691 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.074 -16.268 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.367 -17.267 -9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.356 -15.244 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.621 -15.226 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.903 -14.397 -8.687 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.474 -12.655 -5.371 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.606 -11.442 -4.573 1.00 0.00 C ATOM 1804 C ILE A 114 -6.807 -10.295 -5.182 1.00 0.00 C ATOM 1805 O ILE A 114 -7.249 -9.146 -5.177 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.137 -11.667 -3.124 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.867 -12.862 -2.508 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.366 -10.414 -2.293 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.374 -12.741 -2.559 1.00 0.00 C ATOM 0 H ILE A 114 -7.406 -13.514 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.664 -11.182 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.069 -11.883 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.566 -13.770 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.554 -12.973 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.030 -10.589 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.805 -9.585 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.428 -10.170 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.825 -13.623 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.686 -11.851 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.698 -12.661 -3.597 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.630 -10.614 -5.709 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.771 -9.611 -6.325 1.00 0.00 C ATOM 1823 C ALA A 115 -5.357 -9.122 -7.645 1.00 0.00 C ATOM 1824 O ALA A 115 -5.608 -7.931 -7.820 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.374 -10.174 -6.543 1.00 0.00 C ATOM 0 H ALA A 115 -5.249 -11.560 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.706 -8.759 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.743 -9.414 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.947 -10.468 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.430 -11.044 -7.197 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.573 -10.051 -8.571 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.130 -9.713 -9.877 1.00 0.00 C ATOM 1833 C ASN A 116 -7.409 -8.895 -9.727 1.00 0.00 C ATOM 1834 O ASN A 116 -7.572 -7.859 -10.372 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.416 -10.986 -10.676 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.147 -11.681 -11.131 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.176 -11.032 -11.520 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -5.150 -13.008 -11.082 1.00 0.00 N ATOM 0 H ASN A 116 -5.371 -11.042 -8.442 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.396 -9.112 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -7.003 -11.671 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.022 -10.737 -11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.324 -13.531 -11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.978 -13.504 -10.752 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.311 -9.367 -8.873 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.575 -8.678 -8.640 1.00 0.00 C ATOM 1847 C GLU A 117 -9.336 -7.260 -8.128 1.00 0.00 C ATOM 1848 O GLU A 117 -10.034 -6.322 -8.514 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.428 -9.457 -7.637 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.661 -10.905 -8.032 1.00 0.00 C ATOM 1851 CD GLU A 117 -10.984 -11.064 -9.505 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -11.628 -10.157 -10.073 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.591 -12.095 -10.090 1.00 0.00 O ATOM 0 H GLU A 117 -8.190 -10.223 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.107 -8.618 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.943 -9.429 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.392 -8.959 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.773 -11.490 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.480 -11.312 -7.439 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.344 -7.112 -7.256 1.00 0.00 N ATOM 1861 CA LEU A 118 -8.012 -5.810 -6.689 1.00 0.00 C ATOM 1862 C LEU A 118 -7.060 -5.045 -7.604 1.00 0.00 C ATOM 1863 O LEU A 118 -6.358 -4.134 -7.165 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.382 -5.979 -5.306 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.358 -6.120 -4.137 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.701 -6.856 -2.979 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.856 -4.753 -3.689 1.00 0.00 C ATOM 0 H LEU A 118 -7.756 -7.878 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.934 -5.237 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.741 -6.860 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.738 -5.120 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.215 -6.704 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.410 -6.947 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.395 -7.850 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.826 -6.299 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.549 -4.873 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.010 -4.144 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.366 -4.262 -4.518 1.00 0.00 H new ATOM 1879 N LYS A 119 -7.043 -5.420 -8.878 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.181 -4.768 -9.857 1.00 0.00 C ATOM 1881 C LYS A 119 -4.776 -4.569 -9.297 1.00 0.00 C ATOM 1882 O LYS A 119 -4.135 -3.549 -9.551 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.773 -3.419 -10.270 1.00 0.00 C ATOM 1884 CG LYS A 119 -8.177 -3.520 -10.841 1.00 0.00 C ATOM 1885 CD LYS A 119 -8.154 -3.876 -12.318 1.00 0.00 C ATOM 1886 CE LYS A 119 -9.500 -3.610 -12.976 1.00 0.00 C ATOM 1887 NZ LYS A 119 -9.620 -2.201 -13.443 1.00 0.00 N ATOM 0 H LYS A 119 -7.617 -6.173 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.116 -5.413 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.789 -2.758 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.121 -2.957 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.740 -4.275 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.696 -2.572 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.381 -3.296 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.891 -4.927 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.631 -4.285 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.300 -3.827 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.551 -2.060 -13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.521 -1.557 -12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.873 -2.001 -14.138 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.303 -5.549 -8.535 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.973 -5.482 -7.941 1.00 0.00 C ATOM 1903 C LEU A 120 -1.920 -6.031 -8.898 1.00 0.00 C ATOM 1904 O LEU A 120 -2.250 -6.641 -9.915 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.941 -6.264 -6.626 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.789 -5.697 -5.487 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.904 -6.705 -4.354 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.197 -4.389 -4.981 1.00 0.00 C ATOM 0 H LEU A 120 -4.821 -6.399 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.744 -4.435 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.271 -7.284 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.907 -6.324 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.789 -5.496 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.511 -6.284 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.373 -7.616 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.910 -6.938 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.814 -4.000 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.185 -4.565 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.168 -3.664 -5.795 1.00 0.00 H new ATOM 1920 N SER A 121 -0.652 -5.812 -8.564 1.00 0.00 N ATOM 1921 CA SER A 121 0.449 -6.283 -9.395 1.00 0.00 C ATOM 1922 C SER A 121 0.277 -7.760 -9.739 1.00 0.00 C ATOM 1923 O SER A 121 0.448 -8.165 -10.888 1.00 0.00 O ATOM 1924 CB SER A 121 1.784 -6.067 -8.680 1.00 0.00 C ATOM 1925 OG SER A 121 2.863 -6.082 -9.599 1.00 0.00 O ATOM 0 H SER A 121 -0.362 -5.311 -7.724 1.00 0.00 H new ATOM 0 HA SER A 121 0.444 -5.709 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.767 -5.114 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.929 -6.846 -7.931 1.00 0.00 H new ATOM 0 HG SER A 121 3.705 -5.940 -9.118 1.00 0.00 H new ATOM 1931 N GLY A 122 -0.063 -8.560 -8.732 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.252 -9.982 -8.947 1.00 0.00 C ATOM 1933 C GLY A 122 1.033 -10.686 -9.335 1.00 0.00 C ATOM 1934 O GLY A 122 1.255 -11.021 -10.499 1.00 0.00 O ATOM 0 H GLY A 122 -0.211 -8.248 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.650 -10.434 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.995 -10.132 -9.730 1.00 0.00 H new ATOM 1938 N PRO A 123 1.907 -10.920 -8.345 1.00 0.00 N ATOM 1939 CA PRO A 123 3.192 -11.590 -8.565 1.00 0.00 C ATOM 1940 C PRO A 123 3.025 -13.068 -8.899 1.00 0.00 C ATOM 1941 O PRO A 123 2.447 -13.829 -8.123 1.00 0.00 O ATOM 1942 CB PRO A 123 3.913 -11.422 -7.226 1.00 0.00 C ATOM 1943 CG PRO A 123 2.821 -11.267 -6.224 1.00 0.00 C ATOM 1944 CD PRO A 123 1.707 -10.549 -6.934 1.00 0.00 C ATOM 0 HA PRO A 123 3.733 -11.167 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.537 -12.287 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.568 -10.551 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.488 -12.238 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.163 -10.699 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.729 -10.865 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.768 -9.470 -6.790 1.00 0.00 H new ATOM 1952 N SER A 124 3.536 -13.470 -10.059 1.00 0.00 N ATOM 1953 CA SER A 124 3.440 -14.857 -10.497 1.00 0.00 C ATOM 1954 C SER A 124 4.428 -15.737 -9.735 1.00 0.00 C ATOM 1955 O SER A 124 5.641 -15.615 -9.902 1.00 0.00 O ATOM 1956 CB SER A 124 3.704 -14.959 -12.000 1.00 0.00 C ATOM 1957 OG SER A 124 5.077 -14.764 -12.292 1.00 0.00 O ATOM 0 H SER A 124 4.021 -12.854 -10.712 1.00 0.00 H new ATOM 0 HA SER A 124 2.430 -15.209 -10.288 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.388 -15.937 -12.362 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.108 -14.215 -12.528 1.00 0.00 H new ATOM 0 HG SER A 124 5.600 -14.830 -11.466 1.00 0.00 H new ATOM 1963 N SER A 125 3.898 -16.623 -8.898 1.00 0.00 N ATOM 1964 CA SER A 125 4.731 -17.521 -8.107 1.00 0.00 C ATOM 1965 C SER A 125 4.376 -18.978 -8.386 1.00 0.00 C ATOM 1966 O SER A 125 3.260 -19.419 -8.118 1.00 0.00 O ATOM 1967 CB SER A 125 4.568 -17.221 -6.616 1.00 0.00 C ATOM 1968 OG SER A 125 5.273 -18.162 -5.826 1.00 0.00 O ATOM 0 H SER A 125 2.895 -16.738 -8.750 1.00 0.00 H new ATOM 0 HA SER A 125 5.770 -17.358 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.933 -16.216 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 125 3.511 -17.239 -6.352 1.00 0.00 H new ATOM 0 HG SER A 125 5.154 -17.947 -4.877 1.00 0.00 H new ATOM 1974 N GLY A 126 5.337 -19.721 -8.928 1.00 0.00 N ATOM 1975 CA GLY A 126 5.107 -21.121 -9.235 1.00 0.00 C ATOM 1976 C GLY A 126 6.121 -22.033 -8.575 1.00 0.00 C ATOM 1977 O GLY A 126 7.167 -21.578 -8.112 1.00 0.00 O ATOM 0 H GLY A 126 6.270 -19.379 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.105 -21.401 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 126 5.143 -21.264 -10.315 1.00 0.00 H new TER 1981 GLY A 126