USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 62 THR OG1 : rot 108:sc= 1.04 USER MOD Set 1.2: A 69 THR OG1 : rot 174:sc= 0.9 USER MOD Set 2.1: A 56 LYS NZ :NH3+ -174:sc= 2.29 (180deg=1.17) USER MOD Set 2.2: A 169 SER OG : rot 30:sc= 1.94 USER MOD Set 3.1: A 16 HIS :FLIP no HD1:sc= -8.17! C(o=-17!,f=-16!) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -4.15! C(o=-16!,f=-29!) USER MOD Set 3.3: A 96 THR OG1 : rot -168:sc= -3.77! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.8!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -53:sc= 0.154 USER MOD Single : A 14 MET CE :methyl 150:sc= -0.302 (180deg=-1.64!) USER MOD Single : A 21 LYS NZ :NH3+ -133:sc= 0.74 (180deg=-0.183) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.567 USER MOD Single : A 23 THR OG1 : rot -126:sc= 0.644 USER MOD Single : A 30 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.029) USER MOD Single : A 31 SER OG : rot -120:sc= 0.433 USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 1.98 (180deg=1.43) USER MOD Single : A 34 THR OG1 : rot 130:sc= 0.471 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 150:sc= -1.44 USER MOD Single : A 49 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.88) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 53 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.2!) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.08 (180deg=1.05) USER MOD Single : A 58 THR OG1 : rot 170:sc= -0.508 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 71 MET CE :methyl -161:sc= -0.952 (180deg=-1.51) USER MOD Single : A 77 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.12) USER MOD Single : A 79 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 MET CE :methyl -120:sc= -0.012 (180deg=-0.428) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.18 F(o=-2.4!,f=-1.2) USER MOD Single : A 101 ASN : amide:sc= -2.65! X(o=-2.7!,f=-2.5) USER MOD Single : A 102 HIS : no HE2:sc= -1.96 K(o=-2,f=-6!) USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0.968) USER MOD Single : A 107 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.92) USER MOD Single : A 115 ASN : amide:sc= -2.84! C(o=-2.8!,f=-12!) USER MOD Single : A 116 LYS NZ :NH3+ -141:sc= 0.761 (180deg=0.115) USER MOD Single : A 117 MET CE :methyl -118:sc= -1.38 (180deg=-6.96!) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= 1.29 (180deg=0.878) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.0538 F(o=-3.3!,f=-0.054) USER MOD Single : A 128 MET CE :methyl -129:sc= -1.18 (180deg=-4.58!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -144:sc= -0.739 (180deg=-2.87!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.2 K(o=-0.2,f=-2!) USER MOD Single : A 145 THR OG1 : rot -7:sc= -0.0385 USER MOD Single : A 148 CYS SG : rot -110:sc= -2.23 USER MOD Single : A 149 LYS NZ :NH3+ 166:sc= 0.895 (180deg=0.725) USER MOD Single : A 151 SER OG : rot -112:sc= 0.909! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 147:sc= -0.362 USER MOD Single : A 155 LYS NZ :NH3+ 141:sc= -0.189 (180deg=-1.52!) USER MOD Single : A 160 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 164 MET CE :methyl -166:sc= -2.48! (180deg=-3.85!) USER MOD Single : A 171 MET CE :methyl -118:sc= 0 (180deg=-1.54) USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 ASN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 179 GDP O2' : rot 10:sc= 0.316 USER MOD Single : A 179 GDP O3' : rot -175:sc= 0.286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.286 2.241 -10.090 1.00 11.58 N ATOM 2 CA GLY A 1 -32.391 2.160 -11.269 1.00 11.11 C ATOM 3 C GLY A 1 -30.920 2.223 -10.897 1.00 10.21 C ATOM 4 O GLY A 1 -30.141 1.338 -11.259 1.00 9.82 O ATOM 0 H1 GLY A 1 -34.277 2.193 -10.402 1.00 11.58 H new ATOM 0 H2 GLY A 1 -33.087 1.448 -9.448 1.00 11.58 H new ATOM 0 H3 GLY A 1 -33.123 3.139 -9.592 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -32.586 1.231 -11.804 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -32.623 2.977 -11.953 1.00 11.11 H new ATOM 10 N SER A 2 -30.547 3.257 -10.158 1.00 10.08 N ATOM 11 CA SER A 2 -29.148 3.530 -9.867 1.00 9.47 C ATOM 12 C SER A 2 -28.616 2.670 -8.719 1.00 8.68 C ATOM 13 O SER A 2 -29.119 2.737 -7.601 1.00 8.69 O ATOM 14 CB SER A 2 -28.980 5.012 -9.523 1.00 9.96 C ATOM 15 OG SER A 2 -29.617 5.833 -10.490 1.00 10.61 O ATOM 0 H SER A 2 -31.199 3.925 -9.746 1.00 10.08 H new ATOM 0 HA SER A 2 -28.570 3.279 -10.756 1.00 9.47 H new ATOM 0 HB2 SER A 2 -29.401 5.210 -8.538 1.00 9.96 H new ATOM 0 HB3 SER A 2 -27.920 5.259 -9.472 1.00 9.96 H new ATOM 0 HG SER A 2 -29.498 6.775 -10.249 1.00 10.61 H new ATOM 21 N HIS A 3 -27.611 1.849 -9.031 1.00 8.25 N ATOM 22 CA HIS A 3 -26.821 1.123 -8.031 1.00 7.71 C ATOM 23 C HIS A 3 -27.678 0.213 -7.151 1.00 6.90 C ATOM 24 O HIS A 3 -27.821 0.450 -5.948 1.00 6.93 O ATOM 25 CB HIS A 3 -26.033 2.100 -7.148 1.00 8.30 C ATOM 26 CG HIS A 3 -25.148 3.038 -7.908 1.00 8.89 C ATOM 27 ND1 HIS A 3 -25.233 4.407 -7.786 1.00 9.51 N ATOM 28 CD2 HIS A 3 -24.159 2.803 -8.803 1.00 9.23 C ATOM 29 CE1 HIS A 3 -24.340 4.973 -8.574 1.00 10.14 C ATOM 30 NE2 HIS A 3 -23.673 4.021 -9.200 1.00 9.99 N ATOM 0 H HIS A 3 -27.319 1.667 -9.991 1.00 8.25 H new ATOM 0 HA HIS A 3 -26.129 0.489 -8.585 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -26.736 2.683 -6.554 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -25.422 1.529 -6.449 1.00 8.30 H new ATOM 0 HD1 HIS A 3 -25.885 4.906 -7.180 1.00 9.51 H new ATOM 0 HD2 HIS A 3 -23.817 1.836 -9.141 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -24.181 6.035 -8.688 1.00 10.14 H new ATOM 39 N MET A 4 -28.235 -0.830 -7.743 1.00 6.50 N ATOM 40 CA MET A 4 -28.958 -1.840 -6.978 1.00 6.05 C ATOM 41 C MET A 4 -28.164 -3.139 -6.953 1.00 5.19 C ATOM 42 O MET A 4 -27.813 -3.651 -5.890 1.00 5.17 O ATOM 43 CB MET A 4 -30.353 -2.079 -7.558 1.00 6.67 C ATOM 44 CG MET A 4 -31.287 -0.890 -7.398 1.00 7.26 C ATOM 45 SD MET A 4 -31.531 -0.423 -5.673 1.00 8.18 S ATOM 46 CE MET A 4 -32.651 0.963 -5.856 1.00 8.77 C ATOM 0 H MET A 4 -28.202 -1.002 -8.748 1.00 6.50 H new ATOM 0 HA MET A 4 -29.079 -1.475 -5.958 1.00 6.05 H new ATOM 0 HB2 MET A 4 -30.261 -2.319 -8.617 1.00 6.67 H new ATOM 0 HB3 MET A 4 -30.796 -2.948 -7.071 1.00 6.67 H new ATOM 0 HG2 MET A 4 -30.883 -0.039 -7.947 1.00 7.26 H new ATOM 0 HG3 MET A 4 -32.252 -1.128 -7.845 1.00 7.26 H new ATOM 0 HE1 MET A 4 -32.898 1.364 -4.873 1.00 8.77 H new ATOM 0 HE2 MET A 4 -32.175 1.739 -6.455 1.00 8.77 H new ATOM 0 HE3 MET A 4 -33.563 0.631 -6.351 1.00 8.77 H new ATOM 56 N VAL A 5 -27.873 -3.669 -8.132 1.00 4.89 N ATOM 57 CA VAL A 5 -27.016 -4.838 -8.252 1.00 4.47 C ATOM 58 C VAL A 5 -25.732 -4.451 -8.986 1.00 4.02 C ATOM 59 O VAL A 5 -24.697 -5.104 -8.859 1.00 4.26 O ATOM 60 CB VAL A 5 -27.731 -6.003 -8.979 1.00 5.11 C ATOM 61 CG1 VAL A 5 -28.023 -5.652 -10.432 1.00 5.46 C ATOM 62 CG2 VAL A 5 -26.920 -7.287 -8.882 1.00 5.74 C ATOM 0 H VAL A 5 -28.219 -3.307 -9.021 1.00 4.89 H new ATOM 0 HA VAL A 5 -26.772 -5.190 -7.250 1.00 4.47 H new ATOM 0 HB VAL A 5 -28.685 -6.168 -8.479 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -28.525 -6.490 -10.915 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -28.665 -4.772 -10.472 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -27.088 -5.442 -10.951 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -27.445 -8.089 -9.401 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -25.943 -7.136 -9.342 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -26.790 -7.557 -7.834 1.00 5.74 H new ATOM 72 N GLU A 6 -25.812 -3.362 -9.741 1.00 3.71 N ATOM 73 CA GLU A 6 -24.664 -2.848 -10.470 1.00 3.56 C ATOM 74 C GLU A 6 -23.889 -1.867 -9.601 1.00 3.07 C ATOM 75 O GLU A 6 -24.206 -0.677 -9.542 1.00 3.23 O ATOM 76 CB GLU A 6 -25.115 -2.168 -11.763 1.00 4.14 C ATOM 77 CG GLU A 6 -25.927 -3.075 -12.671 1.00 4.54 C ATOM 78 CD GLU A 6 -26.382 -2.369 -13.929 1.00 5.11 C ATOM 79 OE1 GLU A 6 -27.415 -1.666 -13.879 1.00 5.29 O ATOM 80 OE2 GLU A 6 -25.706 -2.503 -14.970 1.00 5.70 O ATOM 0 H GLU A 6 -26.665 -2.817 -9.863 1.00 3.71 H new ATOM 0 HA GLU A 6 -24.011 -3.682 -10.727 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -25.710 -1.289 -11.514 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -24.237 -1.816 -12.305 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -25.328 -3.945 -12.941 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -26.798 -3.443 -12.129 1.00 4.54 H new ATOM 87 N ARG A 7 -22.891 -2.386 -8.904 1.00 2.85 N ATOM 88 CA ARG A 7 -22.057 -1.575 -8.028 1.00 2.62 C ATOM 89 C ARG A 7 -20.594 -2.010 -8.139 1.00 2.19 C ATOM 90 O ARG A 7 -20.064 -2.706 -7.271 1.00 2.44 O ATOM 91 CB ARG A 7 -22.572 -1.661 -6.586 1.00 3.27 C ATOM 92 CG ARG A 7 -22.895 -3.074 -6.125 1.00 3.86 C ATOM 93 CD ARG A 7 -23.688 -3.069 -4.827 1.00 4.69 C ATOM 94 NE ARG A 7 -23.969 -4.423 -4.350 1.00 5.27 N ATOM 95 CZ ARG A 7 -25.041 -4.755 -3.633 1.00 6.08 C ATOM 96 NH1 ARG A 7 -25.974 -3.856 -3.360 1.00 6.40 N ATOM 97 NH2 ARG A 7 -25.197 -5.998 -3.207 1.00 6.85 N ATOM 0 H ARG A 7 -22.636 -3.373 -8.928 1.00 2.85 H new ATOM 0 HA ARG A 7 -22.112 -0.531 -8.338 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -21.823 -1.235 -5.918 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -23.468 -1.047 -6.494 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -23.465 -3.589 -6.899 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -21.970 -3.633 -5.985 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -23.131 -2.524 -4.064 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -24.627 -2.536 -4.978 1.00 4.69 H new ATOM 0 HE ARG A 7 -23.302 -5.159 -4.581 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -25.875 -2.899 -3.700 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -26.791 -4.120 -2.810 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -24.495 -6.705 -3.428 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -26.019 -6.250 -2.658 1.00 6.85 H new ATOM 111 N PRO A 8 -19.935 -1.603 -9.237 1.00 2.01 N ATOM 112 CA PRO A 8 -18.554 -2.014 -9.562 1.00 2.04 C ATOM 113 C PRO A 8 -17.492 -1.681 -8.491 1.00 1.71 C ATOM 114 O PRO A 8 -16.737 -2.569 -8.099 1.00 1.69 O ATOM 115 CB PRO A 8 -18.251 -1.261 -10.862 1.00 2.57 C ATOM 116 CG PRO A 8 -19.587 -0.948 -11.445 1.00 2.80 C ATOM 117 CD PRO A 8 -20.497 -0.721 -10.276 1.00 2.42 C ATOM 0 HA PRO A 8 -18.499 -3.100 -9.634 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -17.682 -0.352 -10.668 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -17.656 -1.871 -11.542 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -19.539 -0.064 -12.081 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -19.945 -1.769 -12.066 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -20.497 0.323 -9.962 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -21.529 -0.983 -10.512 1.00 2.42 H new ATOM 125 N PRO A 9 -17.394 -0.416 -8.001 1.00 1.83 N ATOM 126 CA PRO A 9 -16.288 -0.007 -7.125 1.00 1.84 C ATOM 127 C PRO A 9 -16.338 -0.649 -5.739 1.00 1.40 C ATOM 128 O PRO A 9 -16.968 -0.120 -4.817 1.00 1.72 O ATOM 129 CB PRO A 9 -16.444 1.517 -7.006 1.00 2.47 C ATOM 130 CG PRO A 9 -17.446 1.900 -8.042 1.00 2.76 C ATOM 131 CD PRO A 9 -18.322 0.699 -8.231 1.00 2.36 C ATOM 0 HA PRO A 9 -15.332 -0.323 -7.543 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -16.783 1.800 -6.009 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -15.493 2.023 -7.174 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -18.030 2.762 -7.720 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -16.956 2.177 -8.976 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -19.152 0.688 -7.524 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -18.754 0.666 -9.231 1.00 2.36 H new ATOM 139 N VAL A 10 -15.676 -1.790 -5.606 1.00 1.18 N ATOM 140 CA VAL A 10 -15.531 -2.453 -4.320 1.00 0.94 C ATOM 141 C VAL A 10 -14.088 -2.344 -3.835 1.00 0.94 C ATOM 142 O VAL A 10 -13.145 -2.453 -4.621 1.00 1.76 O ATOM 143 CB VAL A 10 -15.956 -3.938 -4.386 1.00 1.25 C ATOM 144 CG1 VAL A 10 -17.458 -4.049 -4.605 1.00 1.90 C ATOM 145 CG2 VAL A 10 -15.207 -4.672 -5.487 1.00 2.00 C ATOM 0 H VAL A 10 -15.228 -2.278 -6.381 1.00 1.18 H new ATOM 0 HA VAL A 10 -16.193 -1.951 -3.614 1.00 0.94 H new ATOM 0 HB VAL A 10 -15.703 -4.405 -3.434 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -17.743 -5.100 -4.649 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -17.983 -3.566 -3.781 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -17.726 -3.561 -5.542 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -15.525 -5.714 -5.511 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -15.423 -4.204 -6.448 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -14.136 -4.624 -5.292 1.00 2.00 H new ATOM 155 N VAL A 11 -13.924 -2.100 -2.545 1.00 0.62 N ATOM 156 CA VAL A 11 -12.607 -1.881 -1.967 1.00 0.61 C ATOM 157 C VAL A 11 -12.444 -2.657 -0.663 1.00 0.62 C ATOM 158 O VAL A 11 -13.046 -2.318 0.350 1.00 0.93 O ATOM 159 CB VAL A 11 -12.360 -0.378 -1.703 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.022 -0.161 -1.025 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.431 0.417 -2.997 1.00 0.95 C ATOM 0 H VAL A 11 -14.691 -2.048 -1.875 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.873 -2.241 -2.688 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.145 -0.022 -1.036 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -10.871 0.904 -0.850 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -11.006 -0.691 -0.073 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.225 -0.540 -1.664 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.254 1.472 -2.786 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.672 0.053 -3.690 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.418 0.297 -3.444 1.00 0.95 H new ATOM 171 N THR A 12 -11.627 -3.692 -0.690 1.00 0.44 N ATOM 172 CA THR A 12 -11.391 -4.507 0.491 1.00 0.45 C ATOM 173 C THR A 12 -10.426 -3.807 1.451 1.00 0.41 C ATOM 174 O THR A 12 -9.404 -3.266 1.032 1.00 0.50 O ATOM 175 CB THR A 12 -10.835 -5.889 0.098 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.750 -6.538 -0.794 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.609 -6.769 1.321 1.00 0.64 C ATOM 0 H THR A 12 -11.113 -3.991 -1.519 1.00 0.44 H new ATOM 0 HA THR A 12 -12.346 -4.646 0.998 1.00 0.45 H new ATOM 0 HB THR A 12 -9.874 -5.738 -0.394 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.645 -6.546 -0.396 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.217 -7.736 1.006 1.00 0.64 H new ATOM 0 HG22 THR A 12 -9.895 -6.287 1.989 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.554 -6.914 1.844 1.00 0.64 H new ATOM 185 N ILE A 13 -10.763 -3.813 2.735 1.00 0.40 N ATOM 186 CA ILE A 13 -9.943 -3.162 3.746 1.00 0.40 C ATOM 187 C ILE A 13 -9.025 -4.173 4.428 1.00 0.37 C ATOM 188 O ILE A 13 -9.490 -5.127 5.045 1.00 0.52 O ATOM 189 CB ILE A 13 -10.822 -2.472 4.813 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.686 -1.387 4.170 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.963 -1.881 5.925 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.888 -0.257 3.550 1.00 1.30 C ATOM 0 H ILE A 13 -11.602 -4.264 3.100 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.339 -2.407 3.242 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.477 -3.224 5.254 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -12.312 -1.842 3.402 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.356 -0.975 4.924 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.604 -1.401 6.664 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.390 -2.675 6.403 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -9.280 -1.144 5.504 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.570 0.473 3.114 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.282 0.225 4.318 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.237 -0.655 2.772 1.00 1.30 H new ATOM 204 N MET A 14 -7.725 -3.961 4.306 1.00 0.26 N ATOM 205 CA MET A 14 -6.746 -4.830 4.914 1.00 0.28 C ATOM 206 C MET A 14 -5.728 -3.988 5.662 1.00 0.24 C ATOM 207 O MET A 14 -5.791 -2.764 5.624 1.00 0.29 O ATOM 208 CB MET A 14 -6.056 -5.665 3.840 1.00 0.36 C ATOM 209 CG MET A 14 -6.917 -6.790 3.284 1.00 0.49 C ATOM 210 SD MET A 14 -6.057 -7.787 2.047 1.00 0.79 S ATOM 211 CE MET A 14 -7.308 -9.005 1.654 1.00 0.69 C ATOM 0 H MET A 14 -7.325 -3.182 3.783 1.00 0.26 H new ATOM 0 HA MET A 14 -7.238 -5.505 5.614 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.758 -5.011 3.021 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.143 -6.091 4.256 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.238 -7.434 4.103 1.00 0.49 H new ATOM 0 HG3 MET A 14 -7.818 -6.366 2.840 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.189 -9.329 0.620 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.201 -9.863 2.317 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.297 -8.566 1.785 1.00 0.69 H new ATOM 221 N GLY A 15 -4.802 -4.634 6.347 1.00 0.27 N ATOM 222 CA GLY A 15 -3.793 -3.914 7.075 1.00 0.27 C ATOM 223 C GLY A 15 -3.516 -4.546 8.413 1.00 0.24 C ATOM 224 O GLY A 15 -3.804 -5.725 8.615 1.00 0.31 O ATOM 0 H GLY A 15 -4.734 -5.650 6.410 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.874 -3.883 6.490 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.114 -2.882 7.219 1.00 0.27 H new ATOM 228 N HIS A 16 -2.944 -3.777 9.321 1.00 0.20 N ATOM 229 CA HIS A 16 -2.642 -4.294 10.646 1.00 0.17 C ATOM 230 C HIS A 16 -3.656 -3.834 11.688 1.00 0.19 C ATOM 231 O HIS A 16 -4.398 -2.866 11.497 1.00 0.22 O ATOM 232 CB HIS A 16 -1.238 -3.890 11.086 1.00 0.17 C ATOM 233 CG HIS A 16 -0.777 -4.611 12.318 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.290 -4.111 13.472 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.861 -5.979 12.427 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 -0.070 -5.170 14.307 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.426 -6.269 13.642 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.681 -2.803 9.170 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.698 -5.380 10.575 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.538 -4.087 10.274 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.217 -2.816 11.271 1.00 0.17 H new ATOM 0 HD2 HIS A 16 -1.210 -6.673 11.676 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.318 -5.125 15.314 1.00 0.19 H new ATOM 0 HE2 HIS A 16 -0.370 -7.214 14.022 1.00 0.22 H new ATOM 245 N VAL A 17 -3.657 -4.551 12.798 1.00 0.20 N ATOM 246 CA VAL A 17 -4.517 -4.270 13.931 1.00 0.25 C ATOM 247 C VAL A 17 -3.922 -3.164 14.800 1.00 0.26 C ATOM 248 O VAL A 17 -2.707 -2.989 14.841 1.00 0.25 O ATOM 249 CB VAL A 17 -4.691 -5.552 14.756 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.340 -6.060 15.237 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.620 -5.362 15.930 1.00 0.36 C ATOM 0 H VAL A 17 -3.049 -5.358 12.938 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.487 -3.930 13.568 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.147 -6.293 14.099 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.480 -6.970 15.821 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.705 -6.275 14.377 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.866 -5.300 15.858 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.708 -6.299 16.480 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -5.221 -4.591 16.589 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.603 -5.059 15.571 1.00 0.36 H new ATOM 261 N ASP A 18 -4.794 -2.406 15.463 1.00 0.31 N ATOM 262 CA ASP A 18 -4.398 -1.305 16.350 1.00 0.36 C ATOM 263 C ASP A 18 -3.868 -0.125 15.562 1.00 0.34 C ATOM 264 O ASP A 18 -3.894 1.011 16.034 1.00 0.41 O ATOM 265 CB ASP A 18 -3.383 -1.758 17.408 1.00 0.42 C ATOM 266 CG ASP A 18 -2.910 -0.619 18.293 1.00 0.55 C ATOM 267 OD1 ASP A 18 -3.694 -0.157 19.149 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.753 -0.180 18.133 1.00 0.59 O ATOM 0 H ASP A 18 -5.804 -2.537 15.402 1.00 0.31 H new ATOM 0 HA ASP A 18 -5.296 -0.983 16.877 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.833 -2.532 18.029 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.523 -2.208 16.911 1.00 0.42 H new ATOM 273 N HIS A 19 -3.394 -0.385 14.360 1.00 0.29 N ATOM 274 CA HIS A 19 -3.192 0.680 13.412 1.00 0.32 C ATOM 275 C HIS A 19 -4.552 1.283 13.127 1.00 0.43 C ATOM 276 O HIS A 19 -4.698 2.490 13.052 1.00 0.63 O ATOM 277 CB HIS A 19 -2.543 0.185 12.117 1.00 0.29 C ATOM 278 CG HIS A 19 -1.175 -0.394 12.301 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.361 -0.650 11.224 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.524 -0.733 13.436 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.759 -1.131 11.724 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.708 -1.201 13.056 1.00 0.24 N ATOM 0 H HIS A 19 -3.145 -1.315 14.024 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.509 1.419 13.830 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.187 -0.569 11.666 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.483 1.015 11.413 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.900 -0.651 14.445 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.611 -1.431 11.131 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.446 -1.539 13.674 1.00 0.24 H new ATOM 290 N GLY A 20 -5.562 0.420 13.055 1.00 0.42 N ATOM 291 CA GLY A 20 -6.908 0.883 12.800 1.00 0.54 C ATOM 292 C GLY A 20 -7.695 -0.015 11.878 1.00 0.57 C ATOM 293 O GLY A 20 -8.193 0.440 10.854 1.00 0.79 O ATOM 0 H GLY A 20 -5.469 -0.589 13.169 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.439 0.969 13.748 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.863 1.883 12.368 1.00 0.54 H new ATOM 297 N LYS A 21 -7.816 -1.292 12.222 1.00 0.61 N ATOM 298 CA LYS A 21 -8.607 -2.203 11.406 1.00 0.95 C ATOM 299 C LYS A 21 -10.083 -1.785 11.367 1.00 0.89 C ATOM 300 O LYS A 21 -10.624 -1.491 10.300 1.00 1.05 O ATOM 301 CB LYS A 21 -8.484 -3.630 11.929 1.00 1.36 C ATOM 302 CG LYS A 21 -8.078 -4.640 10.861 1.00 1.79 C ATOM 303 CD LYS A 21 -8.990 -4.592 9.636 1.00 2.30 C ATOM 304 CE LYS A 21 -10.414 -5.037 9.956 1.00 2.66 C ATOM 305 NZ LYS A 21 -11.307 -4.953 8.765 1.00 3.31 N ATOM 0 H LYS A 21 -7.385 -1.714 13.045 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.216 -2.159 10.390 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.750 -3.651 12.734 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.438 -3.933 12.360 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -7.051 -4.446 10.553 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -8.099 -5.643 11.287 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.009 -3.577 9.240 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.579 -5.231 8.855 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -10.399 -6.062 10.326 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -10.817 -4.415 10.756 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -12.197 -4.485 9.031 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -10.837 -4.404 8.017 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -11.510 -5.911 8.415 1.00 3.31 H new ATOM 319 N THR A 22 -10.728 -1.768 12.527 1.00 0.84 N ATOM 320 CA THR A 22 -12.150 -1.449 12.609 1.00 0.87 C ATOM 321 C THR A 22 -12.379 0.060 12.740 1.00 0.79 C ATOM 322 O THR A 22 -13.290 0.620 12.121 1.00 0.79 O ATOM 323 CB THR A 22 -12.803 -2.170 13.806 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.430 -3.555 13.798 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.322 -2.054 13.752 1.00 1.18 C ATOM 0 H THR A 22 -10.290 -1.971 13.425 1.00 0.84 H new ATOM 0 HA THR A 22 -12.611 -1.793 11.683 1.00 0.87 H new ATOM 0 HB THR A 22 -12.452 -1.696 14.723 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.535 -3.655 14.185 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.757 -2.571 14.607 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.608 -1.003 13.780 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.689 -2.506 12.830 1.00 1.18 H new ATOM 333 N THR A 23 -11.534 0.714 13.532 1.00 0.75 N ATOM 334 CA THR A 23 -11.664 2.143 13.792 1.00 0.75 C ATOM 335 C THR A 23 -11.628 2.968 12.508 1.00 0.67 C ATOM 336 O THR A 23 -12.212 4.046 12.443 1.00 0.66 O ATOM 337 CB THR A 23 -10.564 2.632 14.748 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.440 1.741 14.685 1.00 1.25 O ATOM 339 CG2 THR A 23 -11.081 2.721 16.176 1.00 1.17 C ATOM 0 H THR A 23 -10.747 0.273 14.007 1.00 0.75 H new ATOM 0 HA THR A 23 -12.638 2.286 14.259 1.00 0.75 H new ATOM 0 HB THR A 23 -10.255 3.630 14.438 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.214 1.435 15.588 1.00 1.25 H new ATOM 0 HG21 THR A 23 -10.282 3.069 16.831 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.916 3.421 16.218 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.416 1.737 16.504 1.00 1.17 H new ATOM 347 N LEU A 24 -10.960 2.450 11.487 1.00 0.65 N ATOM 348 CA LEU A 24 -10.883 3.124 10.202 1.00 0.63 C ATOM 349 C LEU A 24 -12.275 3.261 9.607 1.00 0.64 C ATOM 350 O LEU A 24 -12.697 4.350 9.241 1.00 0.65 O ATOM 351 CB LEU A 24 -10.012 2.309 9.267 1.00 0.67 C ATOM 352 CG LEU A 24 -9.293 3.069 8.138 1.00 0.84 C ATOM 353 CD1 LEU A 24 -10.281 3.640 7.132 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.419 4.172 8.713 1.00 1.30 C ATOM 0 H LEU A 24 -10.462 1.561 11.526 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.454 4.117 10.337 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.257 1.799 9.866 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.633 1.537 8.813 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.658 2.357 7.610 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.738 4.170 6.349 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -10.858 2.829 6.688 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.956 4.331 7.637 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.918 4.699 7.901 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -9.039 4.872 9.273 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.673 3.736 9.378 1.00 1.30 H new ATOM 366 N LEU A 25 -12.994 2.146 9.553 1.00 0.68 N ATOM 367 CA LEU A 25 -14.298 2.102 8.907 1.00 0.75 C ATOM 368 C LEU A 25 -15.341 2.850 9.729 1.00 0.74 C ATOM 369 O LEU A 25 -16.423 3.166 9.237 1.00 0.82 O ATOM 370 CB LEU A 25 -14.744 0.653 8.697 1.00 0.85 C ATOM 371 CG LEU A 25 -13.786 -0.208 7.877 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.358 -1.604 7.682 1.00 1.63 C ATOM 373 CD2 LEU A 25 -13.501 0.450 6.536 1.00 1.69 C ATOM 0 H LEU A 25 -12.693 1.257 9.951 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.206 2.590 7.937 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.882 0.187 9.673 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.717 0.656 8.205 1.00 0.85 H new ATOM 0 HG LEU A 25 -12.846 -0.299 8.422 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -13.662 -2.204 7.095 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -14.512 -2.073 8.654 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -15.311 -1.537 7.157 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -12.817 -0.175 5.962 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.433 0.569 5.984 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.049 1.428 6.699 1.00 1.69 H new ATOM 385 N ASP A 26 -15.010 3.141 10.978 1.00 0.71 N ATOM 386 CA ASP A 26 -15.910 3.898 11.833 1.00 0.75 C ATOM 387 C ASP A 26 -15.595 5.363 11.679 1.00 0.70 C ATOM 388 O ASP A 26 -16.480 6.214 11.629 1.00 0.76 O ATOM 389 CB ASP A 26 -15.749 3.501 13.286 1.00 0.81 C ATOM 390 CG ASP A 26 -16.812 4.115 14.185 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.901 3.512 14.329 1.00 1.13 O ATOM 392 OD2 ASP A 26 -16.564 5.199 14.753 1.00 1.23 O ATOM 0 H ASP A 26 -14.132 2.867 11.419 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.938 3.689 11.537 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.793 2.415 13.368 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.763 3.808 13.635 1.00 0.81 H new ATOM 397 N ALA A 27 -14.313 5.632 11.572 1.00 0.63 N ATOM 398 CA ALA A 27 -13.822 6.987 11.417 1.00 0.61 C ATOM 399 C ALA A 27 -14.175 7.518 10.038 1.00 0.58 C ATOM 400 O ALA A 27 -14.492 8.694 9.862 1.00 0.62 O ATOM 401 CB ALA A 27 -12.319 6.989 11.630 1.00 0.61 C ATOM 0 H ALA A 27 -13.582 4.921 11.590 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.290 7.639 12.154 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.937 8.003 11.516 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -12.093 6.627 12.633 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.846 6.338 10.894 1.00 0.61 H new ATOM 407 N ILE A 28 -14.146 6.622 9.073 1.00 0.56 N ATOM 408 CA ILE A 28 -14.368 6.965 7.682 1.00 0.57 C ATOM 409 C ILE A 28 -15.859 7.191 7.400 1.00 0.64 C ATOM 410 O ILE A 28 -16.226 8.041 6.586 1.00 0.71 O ATOM 411 CB ILE A 28 -13.785 5.852 6.781 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.508 6.350 5.375 1.00 0.84 C ATOM 413 CG2 ILE A 28 -14.703 4.639 6.720 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.679 5.368 4.587 1.00 0.85 C ATOM 0 H ILE A 28 -13.967 5.630 9.232 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.857 7.901 7.459 1.00 0.57 H new ATOM 0 HB ILE A 28 -12.840 5.554 7.236 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.452 6.525 4.859 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -12.989 7.307 5.424 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.259 3.879 6.077 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -14.837 4.233 7.723 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -15.671 4.935 6.316 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -12.503 5.762 3.586 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -11.724 5.213 5.089 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.210 4.419 4.515 1.00 0.85 H new ATOM 426 N ARG A 29 -16.710 6.449 8.107 1.00 0.70 N ATOM 427 CA ARG A 29 -18.155 6.592 7.958 1.00 0.82 C ATOM 428 C ARG A 29 -18.615 7.847 8.680 1.00 0.86 C ATOM 429 O ARG A 29 -19.501 8.569 8.226 1.00 1.07 O ATOM 430 CB ARG A 29 -18.877 5.359 8.522 1.00 0.99 C ATOM 431 CG ARG A 29 -18.980 5.317 10.040 1.00 1.06 C ATOM 432 CD ARG A 29 -19.768 4.110 10.513 1.00 1.06 C ATOM 433 NE ARG A 29 -19.766 3.993 11.974 1.00 1.62 N ATOM 434 CZ ARG A 29 -20.847 4.146 12.738 1.00 2.19 C ATOM 435 NH1 ARG A 29 -22.003 4.516 12.194 1.00 2.49 N ATOM 436 NH2 ARG A 29 -20.756 3.954 14.049 1.00 3.04 N ATOM 0 H ARG A 29 -16.423 5.745 8.787 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.398 6.676 6.899 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -19.882 5.321 8.103 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -18.356 4.464 8.183 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -17.980 5.292 10.473 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -19.459 6.228 10.398 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -20.795 4.185 10.156 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -19.344 3.206 10.076 1.00 1.06 H new ATOM 0 HE ARG A 29 -18.881 3.781 12.435 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -22.064 4.683 11.190 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -22.829 4.632 12.781 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -19.863 3.691 14.465 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -21.579 4.069 14.640 1.00 3.04 H new ATOM 450 N HIS A 30 -17.953 8.110 9.788 1.00 0.83 N ATOM 451 CA HIS A 30 -18.258 9.250 10.642 1.00 0.98 C ATOM 452 C HIS A 30 -17.547 10.495 10.141 1.00 0.95 C ATOM 453 O HIS A 30 -17.288 11.437 10.884 1.00 1.10 O ATOM 454 CB HIS A 30 -17.805 8.942 12.047 1.00 1.15 C ATOM 455 CG HIS A 30 -18.547 9.652 13.127 1.00 1.60 C ATOM 456 ND1 HIS A 30 -18.166 9.626 14.449 1.00 2.04 N ATOM 457 CD2 HIS A 30 -19.664 10.387 13.071 1.00 2.10 C ATOM 458 CE1 HIS A 30 -19.029 10.321 15.164 1.00 2.61 C ATOM 459 NE2 HIS A 30 -19.949 10.796 14.349 1.00 2.65 N ATOM 0 H HIS A 30 -17.181 7.537 10.128 1.00 0.83 H new ATOM 0 HA HIS A 30 -19.332 9.434 10.625 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -17.895 7.868 12.213 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -16.747 9.190 12.132 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -20.235 10.616 12.184 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -18.989 10.474 16.232 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -20.744 11.374 14.624 1.00 2.65 H new ATOM 468 N SER A 31 -17.204 10.454 8.884 1.00 0.82 N ATOM 469 CA SER A 31 -16.549 11.568 8.221 1.00 0.84 C ATOM 470 C SER A 31 -17.389 12.044 7.034 1.00 1.00 C ATOM 471 O SER A 31 -16.887 12.742 6.153 1.00 1.38 O ATOM 472 CB SER A 31 -15.141 11.155 7.756 1.00 0.78 C ATOM 473 OG SER A 31 -14.271 12.279 7.665 1.00 1.46 O ATOM 0 H SER A 31 -17.367 9.648 8.280 1.00 0.82 H new ATOM 0 HA SER A 31 -16.452 12.392 8.928 1.00 0.84 H new ATOM 0 HB2 SER A 31 -14.725 10.427 8.453 1.00 0.78 H new ATOM 0 HB3 SER A 31 -15.207 10.665 6.785 1.00 0.78 H new ATOM 0 HG SER A 31 -13.951 12.371 6.743 1.00 1.46 H new ATOM 479 N LYS A 32 -18.663 11.631 7.007 1.00 0.91 N ATOM 480 CA LYS A 32 -19.604 12.025 5.951 1.00 1.09 C ATOM 481 C LYS A 32 -20.946 11.331 6.125 1.00 1.10 C ATOM 482 O LYS A 32 -21.337 10.963 7.231 1.00 1.37 O ATOM 483 CB LYS A 32 -19.044 11.721 4.553 1.00 1.39 C ATOM 484 CG LYS A 32 -18.646 10.270 4.341 1.00 1.56 C ATOM 485 CD LYS A 32 -17.879 10.092 3.041 1.00 2.24 C ATOM 486 CE LYS A 32 -16.808 11.163 2.863 1.00 3.10 C ATOM 487 NZ LYS A 32 -15.876 11.226 4.023 1.00 3.92 N ATOM 0 H LYS A 32 -19.069 11.017 7.713 1.00 0.91 H new ATOM 0 HA LYS A 32 -19.748 13.102 6.040 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -19.792 11.993 3.808 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -18.174 12.354 4.377 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -18.033 9.933 5.177 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -19.538 9.644 4.328 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -17.413 9.107 3.026 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -18.573 10.129 2.202 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -16.241 10.960 1.954 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -17.286 12.134 2.730 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -14.971 11.638 3.719 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -16.292 11.818 4.771 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -15.714 10.267 4.391 1.00 3.92 H new ATOM 501 N VAL A 33 -21.636 11.172 5.012 1.00 1.17 N ATOM 502 CA VAL A 33 -22.984 10.623 5.002 1.00 1.39 C ATOM 503 C VAL A 33 -23.027 9.277 4.284 1.00 1.51 C ATOM 504 O VAL A 33 -22.374 9.082 3.258 1.00 2.31 O ATOM 505 CB VAL A 33 -23.977 11.583 4.307 1.00 2.16 C ATOM 506 CG1 VAL A 33 -25.412 11.100 4.470 1.00 3.10 C ATOM 507 CG2 VAL A 33 -23.826 12.999 4.846 1.00 3.06 C ATOM 0 H VAL A 33 -21.281 11.419 4.088 1.00 1.17 H new ATOM 0 HA VAL A 33 -23.276 10.491 6.044 1.00 1.39 H new ATOM 0 HB VAL A 33 -23.742 11.592 3.243 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -26.088 11.794 3.971 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -25.515 10.110 4.025 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -25.661 11.049 5.530 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -24.534 13.657 4.343 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -24.025 13.003 5.918 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -22.811 13.351 4.664 1.00 3.06 H new ATOM 517 N THR A 34 -23.780 8.353 4.857 1.00 1.46 N ATOM 518 CA THR A 34 -24.073 7.075 4.238 1.00 1.91 C ATOM 519 C THR A 34 -25.366 6.532 4.840 1.00 2.50 C ATOM 520 O THR A 34 -25.915 7.140 5.761 1.00 2.78 O ATOM 521 CB THR A 34 -22.908 6.066 4.413 1.00 1.83 C ATOM 522 OG1 THR A 34 -23.275 4.772 3.913 1.00 2.42 O ATOM 523 CG2 THR A 34 -22.487 5.949 5.871 1.00 1.73 C ATOM 0 H THR A 34 -24.209 8.472 5.775 1.00 1.46 H new ATOM 0 HA THR A 34 -24.195 7.219 3.164 1.00 1.91 H new ATOM 0 HB THR A 34 -22.063 6.446 3.838 1.00 1.83 H new ATOM 0 HG1 THR A 34 -22.573 4.441 3.315 1.00 2.42 H new ATOM 0 HG21 THR A 34 -21.669 5.234 5.957 1.00 1.73 H new ATOM 0 HG22 THR A 34 -22.158 6.923 6.234 1.00 1.73 H new ATOM 0 HG23 THR A 34 -23.333 5.607 6.468 1.00 1.73 H new ATOM 531 N GLU A 35 -25.843 5.402 4.323 1.00 3.15 N ATOM 532 CA GLU A 35 -27.112 4.814 4.753 1.00 3.98 C ATOM 533 C GLU A 35 -28.266 5.795 4.533 1.00 4.05 C ATOM 534 O GLU A 35 -28.174 6.693 3.692 1.00 4.33 O ATOM 535 CB GLU A 35 -27.034 4.401 6.225 1.00 4.75 C ATOM 536 CG GLU A 35 -27.293 2.923 6.456 1.00 5.08 C ATOM 537 CD GLU A 35 -28.696 2.512 6.074 1.00 5.84 C ATOM 538 OE1 GLU A 35 -29.653 3.004 6.710 1.00 6.34 O ATOM 539 OE2 GLU A 35 -28.853 1.708 5.134 1.00 6.16 O ATOM 0 H GLU A 35 -25.364 4.869 3.597 1.00 3.15 H new ATOM 0 HA GLU A 35 -27.301 3.925 4.151 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -26.047 4.653 6.613 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -27.759 4.982 6.796 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -26.577 2.338 5.879 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -27.123 2.688 7.507 1.00 5.08 H new ATOM 546 N GLN A 36 -29.355 5.623 5.271 1.00 4.07 N ATOM 547 CA GLN A 36 -30.485 6.535 5.155 1.00 4.38 C ATOM 548 C GLN A 36 -30.360 7.691 6.150 1.00 4.02 C ATOM 549 O GLN A 36 -31.193 8.602 6.165 1.00 4.41 O ATOM 550 CB GLN A 36 -31.810 5.793 5.369 1.00 5.16 C ATOM 551 CG GLN A 36 -32.002 5.269 6.785 1.00 5.59 C ATOM 552 CD GLN A 36 -33.355 4.613 6.990 1.00 6.26 C ATOM 553 OE1 GLN A 36 -33.885 3.986 5.951 1.00 6.59 O flip ATOM 554 NE2 GLN A 36 -33.915 4.660 8.083 1.00 6.79 N flip ATOM 0 H GLN A 36 -29.480 4.870 5.948 1.00 4.07 H new ATOM 0 HA GLN A 36 -30.477 6.947 4.146 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -32.634 6.464 5.125 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -31.863 4.956 4.672 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -31.216 4.548 7.011 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -31.892 6.093 7.491 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -33.475 5.153 8.860 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -34.819 4.206 8.213 1.00 6.79 H new ATOM 563 N GLU A 37 -29.314 7.669 6.970 1.00 3.65 N ATOM 564 CA GLU A 37 -29.150 8.683 8.005 1.00 3.72 C ATOM 565 C GLU A 37 -27.692 9.102 8.145 1.00 3.46 C ATOM 566 O GLU A 37 -26.786 8.270 8.089 1.00 3.48 O ATOM 567 CB GLU A 37 -29.681 8.172 9.347 1.00 4.27 C ATOM 568 CG GLU A 37 -29.809 9.267 10.393 1.00 4.95 C ATOM 569 CD GLU A 37 -30.703 10.397 9.923 1.00 5.60 C ATOM 570 OE1 GLU A 37 -30.222 11.273 9.171 1.00 6.24 O ATOM 571 OE2 GLU A 37 -31.897 10.405 10.284 1.00 5.76 O ATOM 0 H GLU A 37 -28.574 6.968 6.939 1.00 3.65 H new ATOM 0 HA GLU A 37 -29.727 9.558 7.705 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -30.656 7.709 9.193 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -29.015 7.395 9.722 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -30.212 8.844 11.313 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -28.820 9.661 10.629 1.00 4.95 H new ATOM 578 N ALA A 38 -27.484 10.402 8.334 1.00 3.77 N ATOM 579 CA ALA A 38 -26.147 10.968 8.438 1.00 4.17 C ATOM 580 C ALA A 38 -25.393 10.404 9.638 1.00 4.07 C ATOM 581 O ALA A 38 -25.666 10.758 10.786 1.00 4.46 O ATOM 582 CB ALA A 38 -26.229 12.483 8.525 1.00 4.95 C ATOM 0 H ALA A 38 -28.234 11.088 8.419 1.00 3.77 H new ATOM 0 HA ALA A 38 -25.592 10.691 7.542 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -25.224 12.898 8.603 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -26.715 12.873 7.630 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -26.807 12.766 9.404 1.00 4.95 H new ATOM 588 N GLY A 39 -24.452 9.524 9.352 1.00 4.00 N ATOM 589 CA GLY A 39 -23.700 8.854 10.389 1.00 4.22 C ATOM 590 C GLY A 39 -23.468 7.404 10.033 1.00 4.22 C ATOM 591 O GLY A 39 -22.477 6.797 10.439 1.00 4.68 O ATOM 0 H GLY A 39 -24.191 9.257 8.403 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -22.743 9.356 10.532 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -24.238 8.919 11.335 1.00 4.22 H new ATOM 595 N GLY A 40 -24.392 6.851 9.259 1.00 4.14 N ATOM 596 CA GLY A 40 -24.245 5.496 8.781 1.00 4.55 C ATOM 597 C GLY A 40 -24.961 4.488 9.650 1.00 4.28 C ATOM 598 O GLY A 40 -25.900 4.828 10.373 1.00 4.37 O ATOM 0 H GLY A 40 -25.244 7.322 8.954 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -24.630 5.431 7.764 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -23.185 5.244 8.737 1.00 4.55 H new ATOM 602 N ILE A 41 -24.512 3.247 9.574 1.00 4.35 N ATOM 603 CA ILE A 41 -25.105 2.157 10.336 1.00 4.40 C ATOM 604 C ILE A 41 -24.003 1.290 10.933 1.00 4.54 C ATOM 605 O ILE A 41 -22.946 1.111 10.327 1.00 5.04 O ATOM 606 CB ILE A 41 -26.034 1.295 9.444 1.00 4.99 C ATOM 607 CG1 ILE A 41 -26.735 0.216 10.279 1.00 5.27 C ATOM 608 CG2 ILE A 41 -25.250 0.666 8.300 1.00 5.57 C ATOM 609 CD1 ILE A 41 -27.688 -0.649 9.482 1.00 5.56 C ATOM 0 H ILE A 41 -23.729 2.965 8.985 1.00 4.35 H new ATOM 0 HA ILE A 41 -25.707 2.584 11.138 1.00 4.40 H new ATOM 0 HB ILE A 41 -26.797 1.945 9.016 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -25.980 -0.421 10.740 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -27.285 0.696 11.088 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -25.921 0.065 7.686 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -24.805 1.451 7.689 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -24.462 0.031 8.705 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -28.145 -1.388 10.140 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -28.465 -0.024 9.042 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -27.140 -1.158 8.689 1.00 5.56 H new ATOM 621 N THR A 42 -24.234 0.783 12.134 1.00 4.43 N ATOM 622 CA THR A 42 -23.266 -0.075 12.786 1.00 4.86 C ATOM 623 C THR A 42 -23.672 -1.541 12.633 1.00 4.64 C ATOM 624 O THR A 42 -23.185 -2.226 11.735 1.00 4.68 O ATOM 625 CB THR A 42 -23.133 0.285 14.277 1.00 5.21 C ATOM 626 OG1 THR A 42 -23.067 1.709 14.425 1.00 5.55 O ATOM 627 CG2 THR A 42 -21.885 -0.345 14.881 1.00 5.93 C ATOM 0 H THR A 42 -25.083 0.952 12.674 1.00 4.43 H new ATOM 0 HA THR A 42 -22.298 0.077 12.308 1.00 4.86 H new ATOM 0 HB THR A 42 -24.006 -0.103 14.802 1.00 5.21 H new ATOM 0 HG1 THR A 42 -22.984 1.936 15.375 1.00 5.55 H new ATOM 0 HG21 THR A 42 -21.815 -0.075 15.935 1.00 5.93 H new ATOM 0 HG22 THR A 42 -21.943 -1.429 14.787 1.00 5.93 H new ATOM 0 HG23 THR A 42 -21.003 0.018 14.354 1.00 5.93 H new ATOM 635 N GLN A 43 -24.561 -2.014 13.507 1.00 4.73 N ATOM 636 CA GLN A 43 -25.074 -3.392 13.455 1.00 4.79 C ATOM 637 C GLN A 43 -23.945 -4.432 13.567 1.00 4.45 C ATOM 638 O GLN A 43 -24.165 -5.627 13.376 1.00 4.74 O ATOM 639 CB GLN A 43 -25.854 -3.609 12.149 1.00 5.52 C ATOM 640 CG GLN A 43 -26.763 -4.829 12.162 1.00 5.96 C ATOM 641 CD GLN A 43 -27.180 -5.251 10.770 1.00 6.23 C ATOM 642 OE1 GLN A 43 -28.176 -4.769 10.227 1.00 6.39 O ATOM 643 NE2 GLN A 43 -26.429 -6.171 10.185 1.00 6.63 N ATOM 0 H GLN A 43 -24.947 -1.458 14.270 1.00 4.73 H new ATOM 0 HA GLN A 43 -25.736 -3.530 14.310 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -26.456 -2.723 11.947 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -25.145 -3.707 11.327 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -26.249 -5.657 12.651 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -27.652 -4.611 12.754 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -25.612 -6.545 10.668 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -26.667 -6.506 9.251 1.00 6.63 H new ATOM 652 N HIS A 44 -22.738 -3.961 13.886 1.00 4.15 N ATOM 653 CA HIS A 44 -21.548 -4.813 13.926 1.00 4.05 C ATOM 654 C HIS A 44 -21.379 -5.582 12.619 1.00 3.55 C ATOM 655 O HIS A 44 -21.067 -6.774 12.624 1.00 3.72 O ATOM 656 CB HIS A 44 -21.595 -5.780 15.116 1.00 4.61 C ATOM 657 CG HIS A 44 -21.233 -5.144 16.418 1.00 5.23 C ATOM 658 ND1 HIS A 44 -19.977 -5.228 16.970 1.00 5.76 N ATOM 659 CD2 HIS A 44 -21.973 -4.413 17.277 1.00 5.72 C ATOM 660 CE1 HIS A 44 -19.958 -4.574 18.115 1.00 6.54 C ATOM 661 NE2 HIS A 44 -21.157 -4.065 18.329 1.00 6.49 N ATOM 0 H HIS A 44 -22.558 -2.985 14.122 1.00 4.15 H new ATOM 0 HA HIS A 44 -20.684 -4.161 14.054 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -22.598 -6.200 15.193 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -20.915 -6.611 14.926 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -23.014 -4.149 17.161 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -19.104 -4.472 18.768 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -21.432 -3.508 19.138 1.00 6.49 H new ATOM 670 N ILE A 45 -21.593 -4.895 11.507 1.00 3.31 N ATOM 671 CA ILE A 45 -21.439 -5.505 10.198 1.00 3.06 C ATOM 672 C ILE A 45 -20.018 -5.309 9.694 1.00 2.33 C ATOM 673 O ILE A 45 -19.287 -4.439 10.168 1.00 2.50 O ATOM 674 CB ILE A 45 -22.453 -4.931 9.176 1.00 3.87 C ATOM 675 CG1 ILE A 45 -22.398 -5.693 7.844 1.00 4.51 C ATOM 676 CG2 ILE A 45 -22.219 -3.442 8.953 1.00 4.43 C ATOM 677 CD1 ILE A 45 -23.414 -5.216 6.825 1.00 5.17 C ATOM 0 H ILE A 45 -21.874 -3.915 11.486 1.00 3.31 H new ATOM 0 HA ILE A 45 -21.641 -6.571 10.302 1.00 3.06 H new ATOM 0 HB ILE A 45 -23.451 -5.062 9.595 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -21.398 -5.594 7.421 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -22.560 -6.754 8.036 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -22.944 -3.064 8.232 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -22.335 -2.910 9.897 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -21.210 -3.285 8.570 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -23.314 -5.801 5.911 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -24.419 -5.340 7.228 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -23.240 -4.163 6.603 1.00 5.17 H new ATOM 689 N GLY A 46 -19.643 -6.125 8.735 1.00 2.18 N ATOM 690 CA GLY A 46 -18.299 -6.085 8.208 1.00 2.10 C ATOM 691 C GLY A 46 -18.206 -5.257 6.947 1.00 1.86 C ATOM 692 O GLY A 46 -18.544 -5.747 5.864 1.00 2.51 O ATOM 0 H GLY A 46 -20.249 -6.823 8.305 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -17.627 -5.674 8.961 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -17.961 -7.100 8.000 1.00 2.10 H new ATOM 696 N ALA A 47 -17.770 -4.001 7.101 1.00 1.36 N ATOM 697 CA ALA A 47 -17.588 -3.078 5.978 1.00 1.12 C ATOM 698 C ALA A 47 -18.938 -2.594 5.434 1.00 1.01 C ATOM 699 O ALA A 47 -19.985 -3.024 5.922 1.00 1.17 O ATOM 700 CB ALA A 47 -16.740 -3.718 4.898 1.00 1.29 C ATOM 0 H ALA A 47 -17.534 -3.598 8.008 1.00 1.36 H new ATOM 0 HA ALA A 47 -17.056 -2.197 6.338 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -16.615 -3.019 4.071 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -15.763 -3.975 5.307 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -17.231 -4.622 4.537 1.00 1.29 H new ATOM 706 N TYR A 48 -18.937 -1.706 4.427 1.00 0.85 N ATOM 707 CA TYR A 48 -20.179 -1.050 4.037 1.00 0.89 C ATOM 708 C TYR A 48 -20.022 -0.242 2.755 1.00 0.81 C ATOM 709 O TYR A 48 -18.913 -0.034 2.260 1.00 0.73 O ATOM 710 CB TYR A 48 -20.661 -0.127 5.162 1.00 0.97 C ATOM 711 CG TYR A 48 -19.864 1.148 5.282 1.00 0.94 C ATOM 712 CD1 TYR A 48 -18.501 1.118 5.536 1.00 0.92 C ATOM 713 CD2 TYR A 48 -20.479 2.382 5.130 1.00 1.20 C ATOM 714 CE1 TYR A 48 -17.771 2.285 5.632 1.00 1.15 C ATOM 715 CE2 TYR A 48 -19.757 3.552 5.227 1.00 1.40 C ATOM 716 CZ TYR A 48 -18.405 3.500 5.478 1.00 1.37 C ATOM 717 OH TYR A 48 -17.683 4.665 5.564 1.00 1.70 O ATOM 0 H TYR A 48 -18.114 -1.437 3.887 1.00 0.85 H new ATOM 0 HA TYR A 48 -20.914 -1.833 3.853 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -21.708 0.124 4.991 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -20.613 -0.666 6.108 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.004 0.167 5.660 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -21.540 2.427 4.933 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -16.709 2.247 5.827 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -20.250 4.505 5.107 1.00 1.40 H new ATOM 0 HH TYR A 48 -18.097 5.349 4.997 1.00 1.70 H new ATOM 727 N GLN A 49 -21.148 0.227 2.238 1.00 0.91 N ATOM 728 CA GLN A 49 -21.178 1.049 1.038 1.00 0.89 C ATOM 729 C GLN A 49 -21.268 2.524 1.421 1.00 0.90 C ATOM 730 O GLN A 49 -22.173 2.923 2.155 1.00 1.02 O ATOM 731 CB GLN A 49 -22.377 0.651 0.178 1.00 1.02 C ATOM 732 CG GLN A 49 -22.405 -0.834 -0.143 1.00 1.09 C ATOM 733 CD GLN A 49 -23.672 -1.272 -0.843 1.00 1.45 C ATOM 734 OE1 GLN A 49 -24.744 -0.706 -0.640 1.00 1.87 O ATOM 735 NE2 GLN A 49 -23.561 -2.300 -1.665 1.00 1.91 N ATOM 0 H GLN A 49 -22.068 0.048 2.640 1.00 0.91 H new ATOM 0 HA GLN A 49 -20.263 0.892 0.467 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -23.296 0.923 0.696 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -22.355 1.219 -0.752 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -21.548 -1.079 -0.771 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -22.295 -1.400 0.782 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -22.654 -2.743 -1.807 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -24.383 -2.650 -2.157 1.00 1.91 H new ATOM 744 N VAL A 50 -20.327 3.327 0.945 1.00 0.85 N ATOM 745 CA VAL A 50 -20.275 4.735 1.325 1.00 0.91 C ATOM 746 C VAL A 50 -20.995 5.604 0.303 1.00 0.96 C ATOM 747 O VAL A 50 -21.051 5.279 -0.882 1.00 1.01 O ATOM 748 CB VAL A 50 -18.822 5.232 1.456 1.00 0.93 C ATOM 749 CG1 VAL A 50 -18.755 6.538 2.228 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.946 4.176 2.107 1.00 1.34 C ATOM 0 H VAL A 50 -19.594 3.033 0.300 1.00 0.85 H new ATOM 0 HA VAL A 50 -20.771 4.817 2.292 1.00 0.91 H new ATOM 0 HB VAL A 50 -18.443 5.418 0.451 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -17.717 6.863 2.304 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -19.336 7.299 1.707 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -19.163 6.391 3.228 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.925 4.550 2.189 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -18.329 3.948 3.101 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.954 3.271 1.499 1.00 1.34 H new ATOM 760 N THR A 51 -21.538 6.714 0.765 1.00 1.09 N ATOM 761 CA THR A 51 -22.232 7.634 -0.112 1.00 1.16 C ATOM 762 C THR A 51 -21.403 8.893 -0.341 1.00 1.19 C ATOM 763 O THR A 51 -21.565 9.902 0.346 1.00 1.28 O ATOM 764 CB THR A 51 -23.615 8.016 0.444 1.00 1.29 C ATOM 765 OG1 THR A 51 -24.347 6.828 0.782 1.00 1.51 O ATOM 766 CG2 THR A 51 -24.390 8.817 -0.590 1.00 1.42 C ATOM 0 H THR A 51 -21.511 7.000 1.744 1.00 1.09 H new ATOM 0 HA THR A 51 -22.377 7.123 -1.064 1.00 1.16 H new ATOM 0 HB THR A 51 -23.481 8.625 1.338 1.00 1.29 H new ATOM 0 HG1 THR A 51 -25.226 7.075 1.137 1.00 1.51 H new ATOM 0 HG21 THR A 51 -25.367 9.082 -0.187 1.00 1.42 H new ATOM 0 HG22 THR A 51 -23.839 9.725 -0.834 1.00 1.42 H new ATOM 0 HG23 THR A 51 -24.520 8.218 -1.491 1.00 1.42 H new ATOM 774 N VAL A 52 -20.491 8.814 -1.294 1.00 1.36 N ATOM 775 CA VAL A 52 -19.765 9.996 -1.740 1.00 1.62 C ATOM 776 C VAL A 52 -20.690 10.802 -2.635 1.00 1.81 C ATOM 777 O VAL A 52 -20.805 12.020 -2.529 1.00 2.11 O ATOM 778 CB VAL A 52 -18.466 9.630 -2.505 1.00 1.88 C ATOM 779 CG1 VAL A 52 -18.756 8.737 -3.709 1.00 1.98 C ATOM 780 CG2 VAL A 52 -17.730 10.888 -2.944 1.00 2.27 C ATOM 0 H VAL A 52 -20.235 7.951 -1.773 1.00 1.36 H new ATOM 0 HA VAL A 52 -19.462 10.576 -0.868 1.00 1.62 H new ATOM 0 HB VAL A 52 -17.829 9.070 -1.821 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -17.823 8.501 -4.220 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -19.228 7.814 -3.372 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -19.424 9.257 -4.395 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -16.822 10.610 -3.479 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -18.372 11.475 -3.600 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -17.468 11.481 -2.068 1.00 2.27 H new ATOM 790 N ASN A 53 -21.373 10.066 -3.487 1.00 1.81 N ATOM 791 CA ASN A 53 -22.358 10.585 -4.379 1.00 1.99 C ATOM 792 C ASN A 53 -23.576 9.682 -4.296 1.00 1.80 C ATOM 793 O ASN A 53 -24.690 10.131 -4.032 1.00 1.82 O ATOM 794 CB ASN A 53 -21.803 10.623 -5.791 1.00 2.39 C ATOM 795 CG ASN A 53 -20.820 11.748 -6.022 1.00 3.10 C ATOM 796 OD1 ASN A 53 -20.863 12.782 -5.359 1.00 3.68 O ATOM 797 ND2 ASN A 53 -19.943 11.554 -6.981 1.00 3.42 N ATOM 0 H ASN A 53 -21.244 9.058 -3.571 1.00 1.81 H new ATOM 0 HA ASN A 53 -22.635 11.603 -4.106 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -21.313 9.673 -6.006 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -22.629 10.722 -6.495 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -19.260 12.279 -7.202 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -19.945 10.679 -7.505 1.00 3.42 H new ATOM 804 N ASP A 54 -23.319 8.388 -4.482 1.00 1.81 N ATOM 805 CA ASP A 54 -24.314 7.342 -4.277 1.00 1.82 C ATOM 806 C ASP A 54 -23.679 5.964 -4.418 1.00 2.08 C ATOM 807 O ASP A 54 -23.550 5.442 -5.524 1.00 2.23 O ATOM 808 CB ASP A 54 -25.484 7.470 -5.242 1.00 2.01 C ATOM 809 CG ASP A 54 -26.483 6.327 -5.113 1.00 2.47 C ATOM 810 OD1 ASP A 54 -26.928 6.037 -3.980 1.00 2.99 O ATOM 811 OD2 ASP A 54 -26.823 5.712 -6.147 1.00 2.69 O ATOM 0 H ASP A 54 -22.409 8.036 -4.781 1.00 1.81 H new ATOM 0 HA ASP A 54 -24.700 7.462 -3.265 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -25.995 8.416 -5.062 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -25.105 7.502 -6.263 1.00 2.01 H new ATOM 816 N LYS A 55 -23.233 5.419 -3.292 1.00 2.27 N ATOM 817 CA LYS A 55 -22.786 4.026 -3.207 1.00 2.75 C ATOM 818 C LYS A 55 -21.573 3.738 -4.093 1.00 1.92 C ATOM 819 O LYS A 55 -21.454 2.655 -4.666 1.00 2.45 O ATOM 820 CB LYS A 55 -23.934 3.077 -3.564 1.00 4.02 C ATOM 821 CG LYS A 55 -25.199 3.349 -2.774 1.00 5.04 C ATOM 822 CD LYS A 55 -26.270 2.311 -3.049 1.00 5.92 C ATOM 823 CE LYS A 55 -27.574 2.684 -2.370 1.00 6.66 C ATOM 824 NZ LYS A 55 -28.255 3.821 -3.055 1.00 7.36 N ATOM 0 H LYS A 55 -23.170 5.927 -2.410 1.00 2.27 H new ATOM 0 HA LYS A 55 -22.476 3.857 -2.176 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -24.152 3.164 -4.628 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -23.616 2.049 -3.387 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -24.967 3.358 -1.709 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -25.579 4.339 -3.026 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -26.428 2.222 -4.124 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -25.937 1.336 -2.694 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -28.237 1.819 -2.358 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -27.379 2.951 -1.331 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -29.116 4.077 -2.530 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -27.614 4.639 -3.090 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -28.511 3.540 -4.023 1.00 7.36 H new ATOM 838 N LYS A 56 -20.672 4.702 -4.202 1.00 1.27 N ATOM 839 CA LYS A 56 -19.397 4.463 -4.860 1.00 1.10 C ATOM 840 C LYS A 56 -18.328 4.234 -3.801 1.00 1.03 C ATOM 841 O LYS A 56 -18.345 4.879 -2.752 1.00 1.91 O ATOM 842 CB LYS A 56 -19.002 5.619 -5.797 1.00 1.91 C ATOM 843 CG LYS A 56 -17.585 5.477 -6.352 1.00 2.63 C ATOM 844 CD LYS A 56 -17.254 6.501 -7.428 1.00 3.33 C ATOM 845 CE LYS A 56 -17.891 6.145 -8.760 1.00 3.92 C ATOM 846 NZ LYS A 56 -16.970 6.417 -9.897 1.00 4.46 N ATOM 0 H LYS A 56 -20.798 5.650 -3.847 1.00 1.27 H new ATOM 0 HA LYS A 56 -19.493 3.576 -5.486 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -19.708 5.666 -6.626 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -19.082 6.562 -5.256 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -16.871 5.575 -5.535 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -17.462 4.475 -6.764 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -17.599 7.485 -7.112 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -16.173 6.566 -7.548 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -18.170 5.091 -8.761 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -18.809 6.718 -8.890 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -17.471 6.259 -10.795 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -16.644 7.403 -9.851 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -16.151 5.778 -9.841 1.00 4.46 H new ATOM 860 N ILE A 57 -17.414 3.310 -4.088 1.00 0.92 N ATOM 861 CA ILE A 57 -16.363 2.922 -3.152 1.00 0.72 C ATOM 862 C ILE A 57 -16.962 2.171 -1.972 1.00 0.69 C ATOM 863 O ILE A 57 -17.074 2.692 -0.862 1.00 0.80 O ATOM 864 CB ILE A 57 -15.526 4.126 -2.645 1.00 0.65 C ATOM 865 CG1 ILE A 57 -15.135 5.049 -3.804 1.00 0.73 C ATOM 866 CG2 ILE A 57 -14.275 3.626 -1.940 1.00 0.71 C ATOM 867 CD1 ILE A 57 -14.484 6.341 -3.361 1.00 0.75 C ATOM 0 H ILE A 57 -17.382 2.809 -4.976 1.00 0.92 H new ATOM 0 HA ILE A 57 -15.681 2.271 -3.700 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.136 4.695 -1.943 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -14.452 4.517 -4.466 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -16.026 5.283 -4.387 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -13.692 4.476 -1.587 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -14.560 3.004 -1.092 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -13.675 3.039 -2.636 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -14.235 6.942 -4.236 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.173 6.896 -2.724 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -13.574 6.118 -2.804 1.00 0.75 H new ATOM 879 N THR A 58 -17.373 0.944 -2.235 1.00 0.71 N ATOM 880 CA THR A 58 -17.861 0.079 -1.186 1.00 0.71 C ATOM 881 C THR A 58 -16.696 -0.619 -0.517 1.00 0.71 C ATOM 882 O THR A 58 -16.113 -1.543 -1.081 1.00 0.82 O ATOM 883 CB THR A 58 -18.833 -0.982 -1.725 1.00 0.85 C ATOM 884 OG1 THR A 58 -19.969 -0.346 -2.322 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.286 -1.915 -0.606 1.00 0.86 C ATOM 0 H THR A 58 -17.377 0.528 -3.166 1.00 0.71 H new ATOM 0 HA THR A 58 -18.396 0.702 -0.470 1.00 0.71 H new ATOM 0 HB THR A 58 -18.315 -1.574 -2.480 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.502 -1.013 -2.803 1.00 0.96 H new ATOM 0 HG21 THR A 58 -19.974 -2.659 -1.008 1.00 0.86 H new ATOM 0 HG22 THR A 58 -18.419 -2.417 -0.177 1.00 0.86 H new ATOM 0 HG23 THR A 58 -19.790 -1.337 0.168 1.00 0.86 H new ATOM 893 N PHE A 59 -16.347 -0.170 0.671 1.00 0.67 N ATOM 894 CA PHE A 59 -15.313 -0.829 1.431 1.00 0.77 C ATOM 895 C PHE A 59 -15.885 -2.138 1.923 1.00 0.96 C ATOM 896 O PHE A 59 -16.938 -2.146 2.548 1.00 1.57 O ATOM 897 CB PHE A 59 -14.845 0.052 2.592 1.00 0.80 C ATOM 898 CG PHE A 59 -14.300 1.378 2.138 1.00 0.72 C ATOM 899 CD1 PHE A 59 -13.067 1.456 1.512 1.00 1.07 C ATOM 900 CD2 PHE A 59 -15.028 2.541 2.316 1.00 1.04 C ATOM 901 CE1 PHE A 59 -12.569 2.669 1.081 1.00 1.10 C ATOM 902 CE2 PHE A 59 -14.536 3.757 1.881 1.00 1.06 C ATOM 903 CZ PHE A 59 -13.305 3.821 1.262 1.00 0.80 C ATOM 0 H PHE A 59 -16.762 0.643 1.126 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.435 -1.013 0.812 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.680 0.222 3.272 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -14.077 -0.477 3.156 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -12.488 0.557 1.359 1.00 1.07 H new ATOM 0 HD2 PHE A 59 -15.992 2.498 2.801 1.00 1.04 H new ATOM 0 HE1 PHE A 59 -11.602 2.716 0.602 1.00 1.10 H new ATOM 0 HE2 PHE A 59 -15.115 4.657 2.026 1.00 1.06 H new ATOM 0 HZ PHE A 59 -12.919 4.770 0.920 1.00 0.80 H new ATOM 913 N LEU A 60 -15.235 -3.241 1.591 1.00 1.19 N ATOM 914 CA LEU A 60 -15.786 -4.552 1.883 1.00 1.38 C ATOM 915 C LEU A 60 -14.688 -5.577 2.129 1.00 1.95 C ATOM 916 O LEU A 60 -14.077 -6.085 1.189 1.00 2.65 O ATOM 917 CB LEU A 60 -16.680 -5.009 0.726 1.00 1.84 C ATOM 918 CG LEU A 60 -17.485 -6.285 0.981 1.00 2.35 C ATOM 919 CD1 LEU A 60 -18.496 -6.058 2.097 1.00 2.89 C ATOM 920 CD2 LEU A 60 -18.184 -6.736 -0.293 1.00 3.21 C ATOM 0 H LEU A 60 -14.330 -3.254 1.121 1.00 1.19 H new ATOM 0 HA LEU A 60 -16.379 -4.473 2.794 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -17.374 -4.204 0.486 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -16.055 -5.164 -0.154 1.00 1.84 H new ATOM 0 HG LEU A 60 -16.799 -7.073 1.292 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -19.062 -6.974 2.268 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -17.972 -5.779 3.011 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -19.179 -5.258 1.812 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -18.752 -7.645 -0.094 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -18.861 -5.952 -0.634 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -17.441 -6.934 -1.065 1.00 3.21 H new ATOM 932 N ASP A 61 -14.423 -5.855 3.399 1.00 2.43 N ATOM 933 CA ASP A 61 -13.546 -6.953 3.767 1.00 3.40 C ATOM 934 C ASP A 61 -14.357 -8.015 4.502 1.00 3.45 C ATOM 935 O ASP A 61 -14.993 -7.746 5.523 1.00 3.73 O ATOM 936 CB ASP A 61 -12.350 -6.478 4.610 1.00 4.36 C ATOM 937 CG ASP A 61 -12.729 -5.959 5.984 1.00 5.14 C ATOM 938 OD1 ASP A 61 -13.223 -4.819 6.077 1.00 5.61 O ATOM 939 OD2 ASP A 61 -12.513 -6.685 6.979 1.00 5.55 O ATOM 0 H ASP A 61 -14.804 -5.334 4.189 1.00 2.43 H new ATOM 0 HA ASP A 61 -13.127 -7.384 2.858 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -11.650 -7.305 4.726 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -11.826 -5.691 4.068 1.00 4.36 H new ATOM 944 N THR A 62 -14.368 -9.213 3.951 1.00 3.65 N ATOM 945 CA THR A 62 -15.195 -10.286 4.469 1.00 4.03 C ATOM 946 C THR A 62 -14.351 -11.315 5.212 1.00 4.27 C ATOM 947 O THR A 62 -13.320 -11.763 4.709 1.00 4.71 O ATOM 948 CB THR A 62 -15.963 -10.976 3.322 1.00 4.83 C ATOM 949 OG1 THR A 62 -16.700 -9.995 2.577 1.00 5.19 O ATOM 950 CG2 THR A 62 -16.919 -12.040 3.851 1.00 5.45 C ATOM 0 H THR A 62 -13.808 -9.469 3.138 1.00 3.65 H new ATOM 0 HA THR A 62 -15.909 -9.850 5.168 1.00 4.03 H new ATOM 0 HB THR A 62 -15.235 -11.466 2.675 1.00 4.83 H new ATOM 0 HG1 THR A 62 -16.271 -9.855 1.707 1.00 5.19 H new ATOM 0 HG21 THR A 62 -17.443 -12.505 3.016 1.00 5.45 H new ATOM 0 HG22 THR A 62 -16.355 -12.799 4.394 1.00 5.45 H new ATOM 0 HG23 THR A 62 -17.643 -11.577 4.522 1.00 5.45 H new ATOM 958 N PRO A 63 -14.779 -11.697 6.429 1.00 4.49 N ATOM 959 CA PRO A 63 -14.082 -12.698 7.250 1.00 5.20 C ATOM 960 C PRO A 63 -14.207 -14.116 6.688 1.00 5.56 C ATOM 961 O PRO A 63 -14.562 -15.055 7.406 1.00 6.11 O ATOM 962 CB PRO A 63 -14.781 -12.606 8.616 1.00 5.69 C ATOM 963 CG PRO A 63 -15.617 -11.369 8.563 1.00 5.34 C ATOM 964 CD PRO A 63 -15.962 -11.169 7.118 1.00 4.58 C ATOM 0 HA PRO A 63 -13.011 -12.501 7.289 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -15.397 -13.486 8.800 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -14.053 -12.551 9.425 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -16.517 -11.479 9.168 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -15.071 -10.511 8.957 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -16.867 -11.708 6.839 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -16.132 -10.118 6.884 1.00 4.58 H new ATOM 972 N GLY A 64 -13.925 -14.264 5.403 1.00 5.49 N ATOM 973 CA GLY A 64 -13.934 -15.567 4.781 1.00 6.04 C ATOM 974 C GLY A 64 -12.533 -16.116 4.655 1.00 5.99 C ATOM 975 O GLY A 64 -12.234 -17.201 5.147 1.00 6.36 O ATOM 0 H GLY A 64 -13.688 -13.495 4.776 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -14.545 -16.251 5.370 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -14.392 -15.500 3.794 1.00 6.04 H new ATOM 979 N HIS A 65 -11.673 -15.354 3.992 1.00 5.85 N ATOM 980 CA HIS A 65 -10.263 -15.690 3.883 1.00 6.04 C ATOM 981 C HIS A 65 -9.423 -14.463 4.193 1.00 5.42 C ATOM 982 O HIS A 65 -9.111 -13.672 3.293 1.00 5.51 O ATOM 983 CB HIS A 65 -9.923 -16.225 2.488 1.00 6.53 C ATOM 984 CG HIS A 65 -10.384 -17.629 2.251 1.00 7.30 C ATOM 985 ND1 HIS A 65 -9.556 -18.722 2.379 1.00 8.05 N ATOM 986 CD2 HIS A 65 -11.593 -18.117 1.890 1.00 7.71 C ATOM 987 CE1 HIS A 65 -10.235 -19.819 2.107 1.00 8.78 C ATOM 988 NE2 HIS A 65 -11.472 -19.479 1.809 1.00 8.61 N ATOM 0 H HIS A 65 -11.933 -14.490 3.517 1.00 5.85 H new ATOM 0 HA HIS A 65 -10.040 -16.477 4.603 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -10.373 -15.573 1.739 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -8.844 -16.178 2.344 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -12.486 -17.541 1.701 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -9.843 -20.825 2.125 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -12.220 -20.126 1.558 1.00 8.61 H new ATOM 997 N GLU A 66 -9.077 -14.315 5.472 1.00 5.13 N ATOM 998 CA GLU A 66 -8.366 -13.142 5.987 1.00 4.83 C ATOM 999 C GLU A 66 -9.247 -11.895 5.910 1.00 4.30 C ATOM 1000 O GLU A 66 -9.668 -11.357 6.935 1.00 4.72 O ATOM 1001 CB GLU A 66 -7.033 -12.902 5.254 1.00 5.31 C ATOM 1002 CG GLU A 66 -5.952 -13.943 5.543 1.00 5.97 C ATOM 1003 CD GLU A 66 -6.214 -15.278 4.875 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -5.889 -15.417 3.675 1.00 7.05 O ATOM 1005 OE2 GLU A 66 -6.736 -16.193 5.540 1.00 6.87 O ATOM 0 H GLU A 66 -9.284 -15.012 6.187 1.00 5.13 H new ATOM 0 HA GLU A 66 -8.133 -13.346 7.032 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -7.222 -12.882 4.181 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -6.654 -11.918 5.529 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -4.988 -13.559 5.208 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -5.879 -14.091 6.620 1.00 5.97 H new ATOM 1012 N ALA A 67 -9.538 -11.462 4.693 1.00 3.82 N ATOM 1013 CA ALA A 67 -10.359 -10.280 4.461 1.00 3.70 C ATOM 1014 C ALA A 67 -10.942 -10.294 3.049 1.00 2.58 C ATOM 1015 O ALA A 67 -11.960 -9.664 2.780 1.00 2.95 O ATOM 1016 CB ALA A 67 -9.546 -9.013 4.684 1.00 4.55 C ATOM 0 H ALA A 67 -9.214 -11.917 3.840 1.00 3.82 H new ATOM 0 HA ALA A 67 -11.184 -10.294 5.174 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -10.175 -8.141 4.506 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -9.179 -8.992 5.710 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -8.701 -8.997 3.996 1.00 4.55 H new ATOM 1022 N PHE A 68 -10.284 -11.008 2.142 1.00 1.79 N ATOM 1023 CA PHE A 68 -10.746 -11.109 0.772 1.00 1.15 C ATOM 1024 C PHE A 68 -12.006 -11.961 0.668 1.00 1.77 C ATOM 1025 O PHE A 68 -12.102 -13.037 1.265 1.00 2.37 O ATOM 1026 CB PHE A 68 -9.640 -11.686 -0.107 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.225 -10.755 -1.206 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -9.854 -9.538 -1.349 1.00 1.67 C ATOM 1029 CD2 PHE A 68 -8.220 -11.097 -2.093 1.00 1.08 C ATOM 1030 CE1 PHE A 68 -9.498 -8.669 -2.361 1.00 2.10 C ATOM 1031 CE2 PHE A 68 -7.852 -10.235 -3.108 1.00 1.52 C ATOM 1032 CZ PHE A 68 -8.492 -9.017 -3.242 1.00 2.00 C ATOM 0 H PHE A 68 -9.427 -11.525 2.337 1.00 1.79 H new ATOM 0 HA PHE A 68 -10.997 -10.107 0.424 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -8.774 -11.918 0.513 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -9.981 -12.625 -0.542 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -10.637 -9.259 -0.659 1.00 1.67 H new ATOM 0 HD2 PHE A 68 -7.718 -12.048 -1.991 1.00 1.08 H new ATOM 0 HE1 PHE A 68 -10.004 -7.720 -2.464 1.00 2.10 H new ATOM 0 HE2 PHE A 68 -7.066 -10.512 -3.795 1.00 1.52 H new ATOM 0 HZ PHE A 68 -8.207 -8.339 -4.033 1.00 2.00 H new ATOM 1042 N THR A 69 -12.970 -11.456 -0.086 1.00 2.35 N ATOM 1043 CA THR A 69 -14.231 -12.144 -0.297 1.00 3.31 C ATOM 1044 C THR A 69 -14.105 -13.143 -1.455 1.00 3.54 C ATOM 1045 O THR A 69 -13.222 -13.016 -2.305 1.00 3.89 O ATOM 1046 CB THR A 69 -15.341 -11.119 -0.614 1.00 4.11 C ATOM 1047 OG1 THR A 69 -15.187 -9.972 0.233 1.00 4.46 O ATOM 1048 CG2 THR A 69 -16.725 -11.719 -0.410 1.00 4.90 C ATOM 0 H THR A 69 -12.899 -10.560 -0.567 1.00 2.35 H new ATOM 0 HA THR A 69 -14.489 -12.687 0.612 1.00 3.31 H new ATOM 0 HB THR A 69 -15.248 -10.828 -1.660 1.00 4.11 H new ATOM 0 HG1 THR A 69 -15.829 -9.281 -0.032 1.00 4.46 H new ATOM 0 HG21 THR A 69 -17.483 -10.971 -0.642 1.00 4.90 H new ATOM 0 HG22 THR A 69 -16.850 -12.579 -1.069 1.00 4.90 H new ATOM 0 HG23 THR A 69 -16.834 -12.037 0.627 1.00 4.90 H new ATOM 1056 N THR A 70 -14.981 -14.141 -1.472 1.00 3.82 N ATOM 1057 CA THR A 70 -15.002 -15.136 -2.533 1.00 4.35 C ATOM 1058 C THR A 70 -15.691 -14.592 -3.787 1.00 4.41 C ATOM 1059 O THR A 70 -16.712 -15.118 -4.228 1.00 4.95 O ATOM 1060 CB THR A 70 -15.724 -16.406 -2.055 1.00 5.16 C ATOM 1061 OG1 THR A 70 -16.869 -16.039 -1.271 1.00 5.40 O ATOM 1062 CG2 THR A 70 -14.797 -17.290 -1.233 1.00 5.84 C ATOM 0 H THR A 70 -15.692 -14.281 -0.754 1.00 3.82 H new ATOM 0 HA THR A 70 -13.970 -15.379 -2.785 1.00 4.35 H new ATOM 0 HB THR A 70 -16.042 -16.972 -2.931 1.00 5.16 H new ATOM 0 HG1 THR A 70 -17.331 -16.848 -0.967 1.00 5.40 H new ATOM 0 HG21 THR A 70 -15.336 -18.180 -0.909 1.00 5.84 H new ATOM 0 HG22 THR A 70 -13.942 -17.585 -1.841 1.00 5.84 H new ATOM 0 HG23 THR A 70 -14.449 -16.739 -0.359 1.00 5.84 H new ATOM 1070 N MET A 71 -15.109 -13.552 -4.366 1.00 4.19 N ATOM 1071 CA MET A 71 -15.723 -12.859 -5.490 1.00 4.50 C ATOM 1072 C MET A 71 -15.188 -13.366 -6.826 1.00 4.86 C ATOM 1073 O MET A 71 -15.026 -12.604 -7.777 1.00 5.21 O ATOM 1074 CB MET A 71 -15.497 -11.352 -5.359 1.00 4.42 C ATOM 1075 CG MET A 71 -16.232 -10.741 -4.177 1.00 4.38 C ATOM 1076 SD MET A 71 -15.878 -8.987 -3.955 1.00 4.69 S ATOM 1077 CE MET A 71 -14.132 -9.039 -3.549 1.00 4.34 C ATOM 0 H MET A 71 -14.210 -13.168 -4.075 1.00 4.19 H new ATOM 0 HA MET A 71 -16.793 -13.065 -5.469 1.00 4.50 H new ATOM 0 HB2 MET A 71 -14.429 -11.158 -5.255 1.00 4.42 H new ATOM 0 HB3 MET A 71 -15.823 -10.860 -6.276 1.00 4.42 H new ATOM 0 HG2 MET A 71 -17.305 -10.874 -4.315 1.00 4.38 H new ATOM 0 HG3 MET A 71 -15.958 -11.279 -3.269 1.00 4.38 H new ATOM 0 HE1 MET A 71 -13.844 -8.107 -3.063 1.00 4.34 H new ATOM 0 HE2 MET A 71 -13.940 -9.874 -2.876 1.00 4.34 H new ATOM 0 HE3 MET A 71 -13.550 -9.167 -4.462 1.00 4.34 H new ATOM 1087 N ARG A 72 -14.923 -14.666 -6.892 1.00 5.04 N ATOM 1088 CA ARG A 72 -14.504 -15.295 -8.141 1.00 5.54 C ATOM 1089 C ARG A 72 -15.718 -15.672 -8.979 1.00 5.80 C ATOM 1090 O ARG A 72 -15.591 -16.152 -10.103 1.00 6.36 O ATOM 1091 CB ARG A 72 -13.642 -16.528 -7.868 1.00 5.95 C ATOM 1092 CG ARG A 72 -12.201 -16.194 -7.525 1.00 6.36 C ATOM 1093 CD ARG A 72 -11.386 -17.448 -7.252 1.00 6.73 C ATOM 1094 NE ARG A 72 -9.954 -17.164 -7.210 1.00 7.09 N ATOM 1095 CZ ARG A 72 -9.107 -17.713 -6.339 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -9.554 -18.520 -5.385 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -7.812 -17.439 -6.414 1.00 8.21 N ATOM 0 H ARG A 72 -14.990 -15.304 -6.099 1.00 5.04 H new ATOM 0 HA ARG A 72 -13.904 -14.576 -8.699 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -14.081 -17.094 -7.047 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -13.658 -17.175 -8.745 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -11.750 -15.638 -8.347 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -12.176 -15.545 -6.650 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -11.698 -17.885 -6.304 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -11.587 -18.188 -8.026 1.00 6.73 H new ATOM 0 HE ARG A 72 -9.578 -16.504 -7.890 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -10.551 -18.724 -5.315 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -8.901 -18.937 -4.722 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -7.465 -16.809 -7.137 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -7.163 -17.858 -5.748 1.00 8.21 H new ATOM 1111 N ALA A 73 -16.899 -15.433 -8.423 1.00 5.58 N ATOM 1112 CA ALA A 73 -18.152 -15.673 -9.128 1.00 6.01 C ATOM 1113 C ALA A 73 -18.617 -14.396 -9.817 1.00 5.86 C ATOM 1114 O ALA A 73 -19.758 -14.289 -10.270 1.00 6.36 O ATOM 1115 CB ALA A 73 -19.211 -16.162 -8.154 1.00 6.36 C ATOM 0 H ALA A 73 -17.015 -15.070 -7.477 1.00 5.58 H new ATOM 0 HA ALA A 73 -17.992 -16.440 -9.886 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -20.144 -16.339 -8.689 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -18.878 -17.090 -7.690 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -19.372 -15.408 -7.383 1.00 6.36 H new ATOM 1121 N ARG A 74 -17.715 -13.429 -9.876 1.00 5.40 N ATOM 1122 CA ARG A 74 -18.016 -12.106 -10.408 1.00 5.50 C ATOM 1123 C ARG A 74 -17.348 -11.900 -11.771 1.00 5.18 C ATOM 1124 O ARG A 74 -17.691 -10.978 -12.508 1.00 5.49 O ATOM 1125 CB ARG A 74 -17.531 -11.058 -9.403 1.00 6.12 C ATOM 1126 CG ARG A 74 -17.695 -9.612 -9.844 1.00 6.76 C ATOM 1127 CD ARG A 74 -16.892 -8.695 -8.937 1.00 7.55 C ATOM 1128 NE ARG A 74 -15.522 -9.181 -8.797 1.00 8.14 N ATOM 1129 CZ ARG A 74 -14.648 -8.738 -7.897 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -14.970 -7.756 -7.071 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -13.444 -9.283 -7.834 1.00 9.65 N ATOM 0 H ARG A 74 -16.752 -13.538 -9.557 1.00 5.40 H new ATOM 0 HA ARG A 74 -19.091 -12.007 -10.556 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -18.071 -11.199 -8.467 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -16.477 -11.240 -9.193 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -17.362 -9.498 -10.876 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -18.748 -9.332 -9.816 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -16.885 -7.685 -9.346 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -17.365 -8.639 -7.957 1.00 7.55 H new ATOM 0 HE ARG A 74 -15.213 -9.914 -9.436 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -15.896 -7.331 -7.120 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -14.292 -7.424 -6.385 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -13.192 -10.037 -8.473 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -12.768 -8.949 -7.147 1.00 9.65 H new ATOM 1145 N GLY A 75 -16.397 -12.767 -12.095 1.00 4.93 N ATOM 1146 CA GLY A 75 -15.690 -12.653 -13.354 1.00 4.87 C ATOM 1147 C GLY A 75 -14.232 -13.050 -13.230 1.00 4.49 C ATOM 1148 O GLY A 75 -13.867 -13.783 -12.310 1.00 4.54 O ATOM 0 H GLY A 75 -16.103 -13.547 -11.507 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -16.174 -13.284 -14.099 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -15.756 -11.626 -13.714 1.00 4.87 H new ATOM 1152 N ALA A 76 -13.405 -12.558 -14.141 1.00 4.53 N ATOM 1153 CA ALA A 76 -11.982 -12.880 -14.143 1.00 4.52 C ATOM 1154 C ALA A 76 -11.131 -11.618 -14.260 1.00 3.91 C ATOM 1155 O ALA A 76 -10.116 -11.478 -13.579 1.00 4.15 O ATOM 1156 CB ALA A 76 -11.660 -13.842 -15.278 1.00 5.47 C ATOM 0 H ALA A 76 -13.695 -11.932 -14.892 1.00 4.53 H new ATOM 0 HA ALA A 76 -11.743 -13.360 -13.194 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -10.595 -14.074 -15.268 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -12.232 -14.761 -15.150 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -11.922 -13.381 -16.231 1.00 5.47 H new ATOM 1162 N GLN A 77 -11.557 -10.693 -15.113 1.00 3.61 N ATOM 1163 CA GLN A 77 -10.841 -9.434 -15.305 1.00 3.40 C ATOM 1164 C GLN A 77 -11.371 -8.377 -14.343 1.00 2.90 C ATOM 1165 O GLN A 77 -11.071 -7.187 -14.466 1.00 3.33 O ATOM 1166 CB GLN A 77 -10.977 -8.949 -16.752 1.00 4.25 C ATOM 1167 CG GLN A 77 -10.205 -9.790 -17.759 1.00 4.87 C ATOM 1168 CD GLN A 77 -8.700 -9.688 -17.574 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -8.050 -8.815 -18.153 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -8.135 -10.580 -16.776 1.00 6.26 N ATOM 0 H GLN A 77 -12.396 -10.790 -15.684 1.00 3.61 H new ATOM 0 HA GLN A 77 -9.784 -9.603 -15.098 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -12.032 -8.948 -17.027 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -10.630 -7.917 -16.813 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -10.509 -10.833 -17.665 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -10.466 -9.472 -18.768 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -8.708 -11.287 -16.315 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -7.127 -10.560 -16.622 1.00 6.26 H new ATOM 1179 N VAL A 78 -12.166 -8.830 -13.389 1.00 2.65 N ATOM 1180 CA VAL A 78 -12.723 -7.959 -12.370 1.00 2.75 C ATOM 1181 C VAL A 78 -11.738 -7.795 -11.213 1.00 2.21 C ATOM 1182 O VAL A 78 -11.854 -8.444 -10.177 1.00 2.72 O ATOM 1183 CB VAL A 78 -14.076 -8.500 -11.852 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -15.164 -8.279 -12.891 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -13.974 -9.982 -11.512 1.00 4.21 C ATOM 0 H VAL A 78 -12.442 -9.808 -13.299 1.00 2.65 H new ATOM 0 HA VAL A 78 -12.901 -6.983 -12.822 1.00 2.75 H new ATOM 0 HB VAL A 78 -14.334 -7.955 -10.944 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -16.111 -8.664 -12.514 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -15.261 -7.213 -13.095 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -14.900 -8.801 -13.811 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -14.938 -10.339 -11.150 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -13.691 -10.541 -12.404 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -13.220 -10.127 -10.739 1.00 4.21 H new ATOM 1195 N THR A 79 -10.751 -6.937 -11.418 1.00 1.82 N ATOM 1196 CA THR A 79 -9.728 -6.701 -10.416 1.00 1.90 C ATOM 1197 C THR A 79 -10.283 -5.902 -9.239 1.00 1.53 C ATOM 1198 O THR A 79 -11.006 -4.920 -9.421 1.00 1.82 O ATOM 1199 CB THR A 79 -8.509 -5.968 -11.023 1.00 2.70 C ATOM 1200 OG1 THR A 79 -7.550 -5.667 -10.003 1.00 3.20 O ATOM 1201 CG2 THR A 79 -8.925 -4.685 -11.730 1.00 3.41 C ATOM 0 H THR A 79 -10.638 -6.392 -12.273 1.00 1.82 H new ATOM 0 HA THR A 79 -9.401 -7.675 -10.052 1.00 1.90 H new ATOM 0 HB THR A 79 -8.059 -6.633 -11.759 1.00 2.70 H new ATOM 0 HG1 THR A 79 -6.957 -4.950 -10.312 1.00 3.20 H new ATOM 0 HG21 THR A 79 -8.044 -4.196 -12.145 1.00 3.41 H new ATOM 0 HG22 THR A 79 -9.621 -4.922 -12.535 1.00 3.41 H new ATOM 0 HG23 THR A 79 -9.409 -4.017 -11.017 1.00 3.41 H new ATOM 1209 N ASP A 80 -9.949 -6.344 -8.035 1.00 1.21 N ATOM 1210 CA ASP A 80 -10.368 -5.653 -6.823 1.00 1.14 C ATOM 1211 C ASP A 80 -9.350 -4.606 -6.421 1.00 0.88 C ATOM 1212 O ASP A 80 -8.272 -4.504 -7.011 1.00 1.12 O ATOM 1213 CB ASP A 80 -10.550 -6.632 -5.662 1.00 1.60 C ATOM 1214 CG ASP A 80 -11.747 -7.533 -5.836 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -12.884 -7.046 -5.685 1.00 2.66 O ATOM 1216 OD2 ASP A 80 -11.556 -8.729 -6.135 1.00 2.60 O ATOM 0 H ASP A 80 -9.388 -7.180 -7.871 1.00 1.21 H new ATOM 0 HA ASP A 80 -11.322 -5.173 -7.041 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -9.653 -7.243 -5.565 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -10.656 -6.071 -4.733 1.00 1.60 H new ATOM 1221 N ILE A 81 -9.707 -3.834 -5.412 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.822 -2.839 -4.848 1.00 0.42 C ATOM 1223 C ILE A 81 -8.734 -3.035 -3.342 1.00 0.38 C ATOM 1224 O ILE A 81 -9.747 -2.975 -2.647 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.311 -1.407 -5.154 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.246 -1.130 -6.658 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.485 -0.391 -4.382 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.745 0.245 -7.059 1.00 0.71 C ATOM 0 H ILE A 81 -10.621 -3.881 -4.961 1.00 0.63 H new ATOM 0 HA ILE A 81 -7.839 -2.964 -5.302 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.350 -1.317 -4.836 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.215 -1.242 -6.992 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.834 -1.884 -7.181 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.841 0.614 -4.608 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.583 -0.579 -3.313 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.438 -0.478 -4.671 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.665 0.360 -8.140 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.787 0.356 -6.758 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.142 1.009 -6.567 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.536 -3.293 -2.845 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.344 -3.509 -1.418 1.00 0.28 C ATOM 1242 C VAL A 82 -6.641 -2.338 -0.766 1.00 0.23 C ATOM 1243 O VAL A 82 -5.555 -1.944 -1.173 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.559 -4.804 -1.135 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.977 -4.802 0.276 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.473 -5.996 -1.314 1.00 1.17 C ATOM 0 H VAL A 82 -6.685 -3.358 -3.404 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.340 -3.605 -0.986 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.730 -4.865 -1.840 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.429 -5.729 0.445 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.301 -3.955 0.389 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -6.785 -4.721 1.003 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.919 -6.913 -1.114 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.310 -5.920 -0.620 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.850 -6.015 -2.337 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.274 -1.791 0.252 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.667 -0.745 1.039 1.00 0.19 C ATOM 1258 C ILE A 83 -5.783 -1.333 2.109 1.00 0.19 C ATOM 1259 O ILE A 83 -6.177 -2.257 2.815 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.709 0.189 1.675 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.292 1.067 0.585 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.092 1.033 2.794 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.127 2.222 1.097 1.00 0.37 C ATOM 0 H ILE A 83 -8.212 -2.057 0.552 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.063 -0.147 0.357 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.500 -0.405 2.132 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.477 1.463 -0.021 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.907 0.452 -0.071 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.855 1.683 3.223 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.697 0.376 3.569 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.284 1.642 2.388 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.506 2.799 0.253 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.965 1.836 1.678 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.512 2.863 1.729 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.587 -0.800 2.211 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.656 -1.247 3.222 1.00 0.23 C ATOM 1277 C LEU A 84 -3.610 -0.264 4.367 1.00 0.24 C ATOM 1278 O LEU A 84 -3.038 0.816 4.245 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.251 -1.403 2.662 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.557 -2.689 3.079 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -1.496 -2.828 4.596 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.296 -3.842 2.466 1.00 1.01 C ATOM 0 H LEU A 84 -4.236 -0.057 1.607 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.007 -2.218 3.572 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.299 -1.365 1.574 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -1.646 -0.555 2.985 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.526 -2.674 2.725 1.00 0.31 H new ATOM 0 HD11 LEU A 84 -0.993 -3.759 4.856 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.944 -1.988 5.016 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -2.508 -2.837 5.002 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.814 -4.777 2.753 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -3.327 -3.842 2.819 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.284 -3.746 1.380 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.199 -0.644 5.471 1.00 0.21 N ATOM 1295 CA VAL A 85 -4.154 0.176 6.657 1.00 0.27 C ATOM 1296 C VAL A 85 -2.860 -0.092 7.420 1.00 0.25 C ATOM 1297 O VAL A 85 -2.768 -1.047 8.197 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.375 -0.090 7.565 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -5.301 0.755 8.823 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.671 0.177 6.814 1.00 0.40 C ATOM 0 H VAL A 85 -4.716 -1.517 5.575 1.00 0.21 H new ATOM 0 HA VAL A 85 -4.184 1.222 6.354 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.360 -1.140 7.858 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -6.170 0.553 9.449 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.393 0.510 9.373 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -5.287 1.811 8.552 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.519 -0.016 7.471 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.695 1.217 6.487 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.729 -0.478 5.945 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.851 0.723 7.153 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.593 0.637 7.863 1.00 0.20 C ATOM 1312 C VAL A 86 -0.298 1.937 8.579 1.00 0.17 C ATOM 1313 O VAL A 86 -0.272 3.008 7.971 1.00 0.22 O ATOM 1314 CB VAL A 86 0.584 0.311 6.930 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.636 -1.173 6.626 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.501 1.116 5.645 1.00 0.64 C ATOM 0 H VAL A 86 -1.884 1.455 6.444 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.698 -0.176 8.582 1.00 0.20 H new ATOM 0 HB VAL A 86 1.504 0.588 7.445 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.477 -1.380 5.964 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.760 -1.730 7.554 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.291 -1.478 6.141 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.346 0.866 5.004 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.429 0.881 5.128 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.527 2.180 5.880 1.00 0.64 H new ATOM 1326 N ALA A 87 -0.099 1.847 9.874 1.00 0.17 N ATOM 1327 CA ALA A 87 0.297 2.999 10.651 1.00 0.18 C ATOM 1328 C ALA A 87 1.743 3.361 10.353 1.00 0.16 C ATOM 1329 O ALA A 87 2.617 2.497 10.368 1.00 0.24 O ATOM 1330 CB ALA A 87 0.127 2.715 12.131 1.00 0.28 C ATOM 0 H ALA A 87 -0.205 0.987 10.412 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.340 3.840 10.378 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.429 3.590 12.706 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.918 2.486 12.340 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.748 1.864 12.412 1.00 0.28 H new ATOM 1336 N ALA A 88 1.992 4.636 10.091 1.00 0.12 N ATOM 1337 CA ALA A 88 3.340 5.115 9.798 1.00 0.14 C ATOM 1338 C ALA A 88 4.240 4.969 10.999 1.00 0.16 C ATOM 1339 O ALA A 88 5.459 5.085 10.896 1.00 0.22 O ATOM 1340 CB ALA A 88 3.310 6.572 9.393 1.00 0.17 C ATOM 0 H ALA A 88 1.276 5.362 10.075 1.00 0.12 H new ATOM 0 HA ALA A 88 3.729 4.510 8.979 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.324 6.911 9.179 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.692 6.690 8.503 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.893 7.167 10.205 1.00 0.17 H new ATOM 1346 N ASP A 89 3.630 4.735 12.138 1.00 0.16 N ATOM 1347 CA ASP A 89 4.385 4.662 13.380 1.00 0.21 C ATOM 1348 C ASP A 89 4.696 3.211 13.748 1.00 0.22 C ATOM 1349 O ASP A 89 5.217 2.931 14.830 1.00 0.37 O ATOM 1350 CB ASP A 89 3.623 5.360 14.511 1.00 0.30 C ATOM 1351 CG ASP A 89 2.652 4.447 15.238 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.783 3.850 14.578 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.749 4.343 16.478 1.00 0.58 O ATOM 0 H ASP A 89 2.625 4.593 12.237 1.00 0.16 H new ATOM 0 HA ASP A 89 5.333 5.179 13.234 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.339 5.761 15.228 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.075 6.208 14.100 1.00 0.30 H new ATOM 1358 N ASP A 90 4.403 2.289 12.836 1.00 0.19 N ATOM 1359 CA ASP A 90 4.612 0.869 13.100 1.00 0.23 C ATOM 1360 C ASP A 90 4.949 0.116 11.811 1.00 0.25 C ATOM 1361 O ASP A 90 5.888 -0.682 11.775 1.00 0.42 O ATOM 1362 CB ASP A 90 3.370 0.281 13.763 1.00 0.26 C ATOM 1363 CG ASP A 90 3.665 -0.981 14.541 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.708 -1.025 15.230 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.847 -1.919 14.485 1.00 0.46 O ATOM 0 H ASP A 90 4.022 2.498 11.913 1.00 0.19 H new ATOM 0 HA ASP A 90 5.459 0.759 13.777 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.936 1.023 14.433 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.623 0.065 12.999 1.00 0.26 H new ATOM 1370 N GLY A 91 4.192 0.389 10.753 1.00 0.20 N ATOM 1371 CA GLY A 91 4.495 -0.166 9.442 1.00 0.21 C ATOM 1372 C GLY A 91 3.840 -1.513 9.189 1.00 0.22 C ATOM 1373 O GLY A 91 2.691 -1.731 9.565 1.00 0.37 O ATOM 0 H GLY A 91 3.368 0.989 10.779 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.171 0.537 8.675 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.575 -0.271 9.341 1.00 0.21 H new ATOM 1377 N VAL A 92 4.560 -2.406 8.528 1.00 0.26 N ATOM 1378 CA VAL A 92 4.045 -3.736 8.215 1.00 0.26 C ATOM 1379 C VAL A 92 4.301 -4.694 9.379 1.00 0.24 C ATOM 1380 O VAL A 92 5.347 -4.645 10.033 1.00 0.28 O ATOM 1381 CB VAL A 92 4.672 -4.290 6.911 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.127 -4.678 7.118 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.865 -5.463 6.382 1.00 1.03 C ATOM 0 H VAL A 92 5.509 -2.235 8.195 1.00 0.26 H new ATOM 0 HA VAL A 92 2.970 -3.651 8.059 1.00 0.26 H new ATOM 0 HB VAL A 92 4.647 -3.496 6.165 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.537 -5.063 6.184 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.696 -3.803 7.431 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.192 -5.447 7.887 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.323 -5.836 5.466 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.846 -6.257 7.128 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.846 -5.138 6.172 1.00 1.03 H new ATOM 1393 N MET A 93 3.328 -5.549 9.638 1.00 0.22 N ATOM 1394 CA MET A 93 3.331 -6.433 10.794 1.00 0.22 C ATOM 1395 C MET A 93 2.759 -7.796 10.381 1.00 0.22 C ATOM 1396 O MET A 93 2.358 -7.954 9.229 1.00 0.23 O ATOM 1397 CB MET A 93 2.495 -5.787 11.904 1.00 0.21 C ATOM 1398 CG MET A 93 2.993 -4.411 12.312 1.00 0.23 C ATOM 1399 SD MET A 93 4.477 -4.493 13.325 1.00 0.28 S ATOM 1400 CE MET A 93 3.749 -5.005 14.871 1.00 0.27 C ATOM 0 H MET A 93 2.504 -5.652 9.046 1.00 0.22 H new ATOM 0 HA MET A 93 4.343 -6.588 11.167 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.461 -5.706 11.569 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.498 -6.440 12.777 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.198 -3.822 11.418 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.208 -3.892 12.863 1.00 0.23 H new ATOM 0 HE1 MET A 93 3.955 -4.256 15.636 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.671 -5.111 14.748 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.175 -5.961 15.175 1.00 0.27 H new ATOM 1410 N PRO A 94 2.725 -8.803 11.289 1.00 0.25 N ATOM 1411 CA PRO A 94 2.240 -10.159 10.972 1.00 0.30 C ATOM 1412 C PRO A 94 0.980 -10.205 10.096 1.00 0.28 C ATOM 1413 O PRO A 94 1.050 -10.651 8.946 1.00 0.31 O ATOM 1414 CB PRO A 94 1.966 -10.753 12.348 1.00 0.37 C ATOM 1415 CG PRO A 94 2.972 -10.107 13.233 1.00 0.58 C ATOM 1416 CD PRO A 94 3.188 -8.716 12.691 1.00 0.30 C ATOM 0 HA PRO A 94 2.972 -10.704 10.375 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.950 -10.539 12.679 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.078 -11.837 12.343 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.617 -10.071 14.263 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.905 -10.671 13.237 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.620 -7.975 13.254 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.237 -8.424 12.748 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.168 -9.743 10.609 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.408 -9.849 9.852 1.00 0.32 C ATOM 1426 C GLN A 95 -1.412 -8.877 8.677 1.00 0.31 C ATOM 1427 O GLN A 95 -2.144 -9.054 7.705 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.638 -9.618 10.737 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.912 -8.165 11.079 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.340 -7.945 11.554 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.569 -8.016 12.859 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.237 -7.703 10.748 1.00 0.34 N flip ATOM 0 H GLN A 95 -0.258 -9.303 11.525 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.463 -10.867 9.466 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.513 -10.029 10.234 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.511 -10.177 11.664 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.219 -7.839 11.855 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.723 -7.545 10.202 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -5.027 -7.655 9.751 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.190 -7.550 11.077 1.00 0.34 H new ATOM 1441 N THR A 96 -0.567 -7.866 8.772 1.00 0.26 N ATOM 1442 CA THR A 96 -0.430 -6.869 7.728 1.00 0.25 C ATOM 1443 C THR A 96 0.129 -7.521 6.481 1.00 0.25 C ATOM 1444 O THR A 96 -0.339 -7.283 5.367 1.00 0.31 O ATOM 1445 CB THR A 96 0.512 -5.756 8.175 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.532 -5.711 9.598 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.062 -4.413 7.633 1.00 0.28 C ATOM 0 H THR A 96 0.043 -7.714 9.575 1.00 0.26 H new ATOM 0 HA THR A 96 -1.411 -6.442 7.520 1.00 0.25 H new ATOM 0 HB THR A 96 1.510 -5.964 7.788 1.00 0.25 H new ATOM 0 HG1 THR A 96 0.977 -4.889 9.893 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.751 -3.637 7.966 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.052 -4.445 6.544 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.940 -4.190 7.999 1.00 0.28 H new ATOM 1455 N VAL A 97 1.139 -8.359 6.681 1.00 0.25 N ATOM 1456 CA VAL A 97 1.731 -9.084 5.593 1.00 0.31 C ATOM 1457 C VAL A 97 0.768 -10.104 5.022 1.00 0.23 C ATOM 1458 O VAL A 97 0.692 -10.277 3.814 1.00 0.24 O ATOM 1459 CB VAL A 97 2.989 -9.845 5.997 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.632 -10.375 4.749 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.949 -8.975 6.768 1.00 1.38 C ATOM 0 H VAL A 97 1.557 -8.545 7.593 1.00 0.25 H new ATOM 0 HA VAL A 97 1.986 -8.322 4.856 1.00 0.31 H new ATOM 0 HB VAL A 97 2.716 -10.665 6.661 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.536 -10.925 5.011 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.938 -11.041 4.237 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.890 -9.545 4.092 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.831 -9.556 7.036 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.247 -8.127 6.152 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.464 -8.612 7.674 1.00 1.38 H new ATOM 1471 N GLU A 98 0.053 -10.794 5.899 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.915 -11.805 5.470 1.00 0.29 C ATOM 1473 C GLU A 98 -1.920 -11.197 4.499 1.00 0.31 C ATOM 1474 O GLU A 98 -2.419 -11.869 3.597 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.635 -12.404 6.681 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.725 -13.218 7.586 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.442 -13.748 8.813 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.273 -14.668 8.674 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -1.176 -13.248 9.926 1.00 2.35 O ATOM 0 H GLU A 98 0.121 -10.676 6.910 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.379 -12.604 4.958 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.085 -11.598 7.261 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.449 -13.039 6.332 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.312 -14.054 7.022 1.00 0.92 H new ATOM 0 HG3 GLU A 98 0.116 -12.600 7.900 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.187 -9.912 4.679 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.043 -9.173 3.768 1.00 0.35 C ATOM 1488 C ALA A 99 -2.354 -8.971 2.420 1.00 0.34 C ATOM 1489 O ALA A 99 -2.976 -9.097 1.366 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.429 -7.836 4.381 1.00 0.39 C ATOM 0 H ALA A 99 -1.820 -9.358 5.453 1.00 0.31 H new ATOM 0 HA ALA A 99 -3.950 -9.753 3.597 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.071 -7.290 3.689 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -3.964 -8.005 5.316 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.529 -7.253 4.578 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.051 -8.704 2.454 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.285 -8.485 1.245 1.00 0.29 C ATOM 1498 C ILE A 100 -0.104 -9.808 0.523 1.00 0.29 C ATOM 1499 O ILE A 100 -0.249 -9.908 -0.689 1.00 0.34 O ATOM 1500 CB ILE A 100 1.103 -7.925 1.584 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.982 -6.626 2.377 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.896 -7.712 0.314 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.294 -6.167 2.979 1.00 0.41 C ATOM 0 H ILE A 100 -0.507 -8.635 3.314 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.820 -7.773 0.617 1.00 0.29 H new ATOM 0 HB ILE A 100 1.632 -8.646 2.207 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.597 -5.844 1.723 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.252 -6.762 3.175 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.880 -7.314 0.562 1.00 0.36 H new ATOM 0 HG22 ILE A 100 2.009 -8.662 -0.208 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.371 -7.006 -0.329 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.137 -5.239 3.529 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.670 -6.932 3.658 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.020 -5.999 2.184 1.00 0.41 H new ATOM 1515 N ASN A 101 0.199 -10.818 1.314 1.00 0.29 N ATOM 1516 CA ASN A 101 0.403 -12.170 0.833 1.00 0.34 C ATOM 1517 C ASN A 101 -0.844 -12.695 0.145 1.00 0.36 C ATOM 1518 O ASN A 101 -0.758 -13.459 -0.814 1.00 0.43 O ATOM 1519 CB ASN A 101 0.786 -13.064 2.020 1.00 0.44 C ATOM 1520 CG ASN A 101 2.261 -13.019 2.337 1.00 0.53 C ATOM 1521 OD1 ASN A 101 3.102 -12.907 1.447 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.587 -13.084 3.611 1.00 0.64 N ATOM 0 H ASN A 101 0.312 -10.721 2.323 1.00 0.29 H new ATOM 0 HA ASN A 101 1.207 -12.175 0.097 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.221 -12.754 2.899 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.498 -14.092 1.802 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.567 -13.042 3.889 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.859 -13.177 4.320 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.004 -12.274 0.619 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.248 -12.661 -0.009 1.00 0.43 C ATOM 1531 C HIS A 102 -3.492 -11.798 -1.245 1.00 0.37 C ATOM 1532 O HIS A 102 -4.025 -12.269 -2.248 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.407 -12.530 0.982 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.609 -13.317 0.568 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.144 -14.347 1.313 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.370 -13.225 -0.539 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.181 -14.855 0.674 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.341 -14.192 -0.451 1.00 1.91 N ATOM 0 H HIS A 102 -2.107 -11.667 1.433 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.183 -13.704 -0.318 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.079 -12.866 1.966 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.681 -11.479 1.079 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -5.793 -14.666 2.216 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.241 -12.520 -1.347 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -7.794 -15.676 1.016 1.00 2.50 H new ATOM 1547 N ALA A 103 -3.077 -10.539 -1.176 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.311 -9.594 -2.255 1.00 0.41 C ATOM 1549 C ALA A 103 -2.397 -9.849 -3.454 1.00 0.40 C ATOM 1550 O ALA A 103 -2.840 -9.796 -4.597 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.132 -8.166 -1.759 1.00 0.47 C ATOM 0 H ALA A 103 -2.574 -10.150 -0.379 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.339 -9.736 -2.588 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.311 -7.471 -2.579 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.841 -7.969 -0.955 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.116 -8.035 -1.387 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.118 -10.129 -3.201 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.164 -10.308 -4.286 1.00 0.49 C ATOM 1559 C LYS A 104 -0.335 -11.659 -4.931 1.00 0.54 C ATOM 1560 O LYS A 104 -0.200 -11.804 -6.142 1.00 0.66 O ATOM 1561 CB LYS A 104 1.261 -10.173 -3.783 1.00 0.61 C ATOM 1562 CG LYS A 104 1.514 -8.891 -3.026 1.00 0.70 C ATOM 1563 CD LYS A 104 1.139 -7.648 -3.839 1.00 0.84 C ATOM 1564 CE LYS A 104 1.678 -7.691 -5.267 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.162 -7.775 -5.319 1.00 1.66 N ATOM 0 H LYS A 104 -0.726 -10.235 -2.265 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.358 -9.529 -5.024 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.491 -11.019 -3.136 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.944 -10.226 -4.631 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.942 -8.901 -2.098 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.567 -8.837 -2.750 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.054 -7.552 -3.868 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.524 -6.761 -3.337 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.251 -8.549 -5.786 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.350 -6.800 -5.802 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 3.470 -7.870 -6.308 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.573 -6.912 -4.909 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 3.482 -8.602 -4.776 1.00 1.66 H new ATOM 1579 N ALA A 105 -0.616 -12.645 -4.104 1.00 0.51 N ATOM 1580 CA ALA A 105 -0.899 -13.991 -4.597 1.00 0.61 C ATOM 1581 C ALA A 105 -2.141 -13.991 -5.483 1.00 0.62 C ATOM 1582 O ALA A 105 -2.263 -14.798 -6.405 1.00 0.77 O ATOM 1583 CB ALA A 105 -1.066 -14.965 -3.447 1.00 0.65 C ATOM 0 H ALA A 105 -0.656 -12.547 -3.089 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.049 -14.316 -5.197 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -1.276 -15.960 -3.840 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -0.149 -14.994 -2.858 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -1.893 -14.643 -2.815 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.067 -13.079 -5.201 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.252 -12.919 -6.032 1.00 0.64 C ATOM 1591 C ALA A 106 -3.949 -12.022 -7.229 1.00 0.64 C ATOM 1592 O ALA A 106 -4.691 -12.007 -8.211 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.412 -12.355 -5.224 1.00 0.68 C ATOM 0 H ALA A 106 -3.018 -12.442 -4.406 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.542 -13.903 -6.400 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.285 -12.245 -5.868 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -5.649 -13.034 -4.405 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.135 -11.381 -4.820 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.841 -11.285 -7.114 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.343 -10.403 -8.168 1.00 0.65 C ATOM 1601 C ASN A 107 -3.262 -9.199 -8.320 1.00 0.60 C ATOM 1602 O ASN A 107 -3.861 -8.972 -9.371 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.189 -11.157 -9.488 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.490 -10.353 -10.556 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.667 -9.484 -10.269 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -1.796 -10.665 -11.800 1.00 1.41 N ATOM 0 H ASN A 107 -2.259 -11.285 -6.276 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.354 -10.044 -7.883 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.630 -12.076 -9.311 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -3.175 -11.448 -9.849 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -1.344 -10.178 -12.574 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -2.485 -11.393 -11.988 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.375 -8.435 -7.247 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.273 -7.299 -7.209 1.00 0.42 C ATOM 1615 C VAL A 108 -3.525 -6.010 -6.856 1.00 0.37 C ATOM 1616 O VAL A 108 -2.547 -6.029 -6.101 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.419 -7.550 -6.197 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.509 -6.435 -5.166 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.746 -7.719 -6.922 1.00 1.35 C ATOM 0 H VAL A 108 -2.850 -8.585 -6.385 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.701 -7.178 -8.204 1.00 0.42 H new ATOM 0 HB VAL A 108 -5.193 -8.474 -5.664 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.324 -6.645 -4.473 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.571 -6.373 -4.615 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -5.697 -5.487 -5.671 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.538 -7.894 -6.194 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -6.968 -6.815 -7.490 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.683 -8.569 -7.602 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.963 -4.885 -7.441 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.472 -3.552 -7.090 1.00 0.33 C ATOM 1631 C PRO A 109 -3.926 -3.111 -5.704 1.00 0.28 C ATOM 1632 O PRO A 109 -5.047 -3.405 -5.274 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.097 -2.639 -8.148 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.575 -3.552 -9.221 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.945 -4.825 -8.526 1.00 0.40 C ATOM 0 HA PRO A 109 -2.383 -3.526 -7.068 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.919 -2.058 -7.730 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.368 -1.927 -8.534 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.431 -3.128 -9.745 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.798 -3.723 -9.966 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.967 -4.800 -8.148 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.871 -5.687 -9.189 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.068 -2.380 -5.014 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.346 -1.993 -3.650 1.00 0.21 C ATOM 1645 C ILE A 110 -3.594 -0.481 -3.556 1.00 0.19 C ATOM 1646 O ILE A 110 -3.204 0.290 -4.435 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.166 -2.403 -2.729 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.909 -3.919 -2.798 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.408 -1.988 -1.291 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.014 -4.754 -2.189 1.00 0.60 C ATOM 0 H ILE A 110 -2.176 -2.045 -5.378 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.248 -2.509 -3.320 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.283 -1.878 -3.093 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.780 -4.209 -3.841 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.973 -4.143 -2.286 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.560 -2.292 -0.677 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.524 -0.905 -1.239 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.314 -2.468 -0.921 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.761 -5.811 -2.275 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.129 -4.493 -1.137 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.949 -4.560 -2.715 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.272 -0.089 -2.499 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.464 1.304 -2.131 1.00 0.18 C ATOM 1664 C ILE A 111 -4.074 1.451 -0.673 1.00 0.16 C ATOM 1665 O ILE A 111 -4.897 1.344 0.233 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.923 1.787 -2.351 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.213 1.914 -3.841 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.173 3.126 -1.661 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.404 2.998 -4.505 1.00 0.37 C ATOM 0 H ILE A 111 -4.717 -0.742 -1.854 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.841 1.927 -2.772 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.591 1.046 -1.912 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.005 0.962 -4.329 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.274 2.120 -3.983 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.203 3.437 -1.834 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.000 3.021 -0.590 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.494 3.876 -2.066 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.654 3.041 -5.565 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.630 3.957 -4.040 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.342 2.781 -4.391 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.797 1.628 -0.443 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.292 1.713 0.898 1.00 0.18 C ATOM 1683 C VAL A 112 -2.638 3.045 1.509 1.00 0.20 C ATOM 1684 O VAL A 112 -2.791 4.049 0.820 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.776 1.525 0.947 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.311 1.389 2.365 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.373 0.303 0.183 1.00 0.19 C ATOM 0 H VAL A 112 -2.089 1.716 -1.172 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.761 0.910 1.466 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.314 2.403 0.495 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.771 1.256 2.382 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.575 2.288 2.922 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.790 0.524 2.824 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.710 0.186 0.229 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.852 -0.573 0.620 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.683 0.405 -0.857 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.754 3.033 2.802 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.028 4.225 3.550 1.00 0.24 C ATOM 1699 C ALA A 113 -2.201 4.242 4.822 1.00 0.25 C ATOM 1700 O ALA A 113 -2.449 3.480 5.758 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.513 4.344 3.832 1.00 0.29 C ATOM 0 H ALA A 113 -2.661 2.192 3.372 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.742 5.096 2.960 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.704 5.254 4.401 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.060 4.383 2.890 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.844 3.480 4.408 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.203 5.103 4.815 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.304 5.271 5.930 1.00 0.27 C ATOM 1709 C ILE A 114 -0.973 6.142 6.970 1.00 0.30 C ATOM 1710 O ILE A 114 -1.063 7.342 6.784 1.00 0.50 O ATOM 1711 CB ILE A 114 1.017 5.927 5.473 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.838 4.958 4.636 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.827 6.407 6.650 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.421 4.894 3.186 1.00 0.59 C ATOM 0 H ILE A 114 -0.994 5.711 4.023 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.072 4.293 6.352 1.00 0.27 H new ATOM 0 HB ILE A 114 0.759 6.791 4.861 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.888 5.247 4.689 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.759 3.961 5.071 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.751 6.864 6.294 1.00 0.44 H new ATOM 0 HG22 ILE A 114 1.252 7.143 7.212 1.00 0.44 H new ATOM 0 HG23 ILE A 114 2.066 5.562 7.296 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.054 4.182 2.657 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.381 4.574 3.120 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.527 5.880 2.733 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.416 5.537 8.056 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.266 6.211 9.030 1.00 0.22 C ATOM 1728 C ASN A 115 -1.421 6.488 10.218 1.00 0.20 C ATOM 1729 O ASN A 115 -0.260 6.079 10.251 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.504 5.356 9.353 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.379 4.441 10.552 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -2.326 3.906 10.850 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.478 4.254 11.254 1.00 0.56 N ATOM 0 H ASN A 115 -1.200 4.568 8.291 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.659 7.151 8.643 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.350 6.023 9.516 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.740 4.749 8.479 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -4.463 3.647 12.073 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -5.344 4.717 10.978 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.965 7.207 11.164 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.206 7.592 12.309 1.00 0.20 C ATOM 1742 C LYS A 116 -0.079 8.537 11.909 1.00 0.21 C ATOM 1743 O LYS A 116 1.015 8.502 12.467 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.692 6.337 13.009 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.738 5.707 13.900 1.00 0.32 C ATOM 1746 CD LYS A 116 -1.158 4.619 14.787 1.00 0.40 C ATOM 1747 CE LYS A 116 -2.242 3.915 15.588 1.00 0.51 C ATOM 1748 NZ LYS A 116 -1.679 2.847 16.455 1.00 0.59 N ATOM 0 H LYS A 116 -2.931 7.534 11.158 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.836 8.139 13.011 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.371 5.612 12.261 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.185 6.590 13.605 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.193 6.477 14.523 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.532 5.286 13.283 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.628 3.891 14.172 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.426 5.055 15.468 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.770 4.643 16.204 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.975 3.482 14.907 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -2.319 2.027 16.456 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.748 2.559 16.091 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -1.575 3.206 17.425 1.00 0.59 H new ATOM 1762 N MET A 117 -0.372 9.392 10.932 1.00 0.21 N ATOM 1763 CA MET A 117 0.538 10.441 10.521 1.00 0.28 C ATOM 1764 C MET A 117 0.389 11.627 11.460 1.00 0.29 C ATOM 1765 O MET A 117 1.205 12.551 11.466 1.00 0.37 O ATOM 1766 CB MET A 117 0.230 10.843 9.084 1.00 0.38 C ATOM 1767 CG MET A 117 0.541 9.740 8.094 1.00 0.48 C ATOM 1768 SD MET A 117 2.306 9.553 7.812 1.00 0.77 S ATOM 1769 CE MET A 117 2.640 11.091 6.976 1.00 0.92 C ATOM 0 H MET A 117 -1.247 9.372 10.408 1.00 0.21 H new ATOM 0 HA MET A 117 1.568 10.086 10.567 1.00 0.28 H new ATOM 0 HB2 MET A 117 -0.823 11.113 9.003 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.807 11.731 8.827 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.133 8.799 8.462 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.045 9.954 7.147 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.004 10.886 5.969 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.725 11.680 6.918 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.396 11.649 7.528 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.683 11.582 12.246 1.00 0.27 N ATOM 1780 CA ASP A 118 -0.900 12.535 13.336 1.00 0.34 C ATOM 1781 C ASP A 118 0.182 12.349 14.378 1.00 0.33 C ATOM 1782 O ASP A 118 0.583 13.288 15.069 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.271 12.324 13.995 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.395 10.979 14.697 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.658 9.978 14.013 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.245 10.919 15.933 1.00 0.76 O ATOM 0 H ASP A 118 -1.424 10.888 12.148 1.00 0.27 H new ATOM 0 HA ASP A 118 -0.867 13.543 12.923 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.447 13.122 14.717 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.049 12.404 13.236 1.00 0.39 H new ATOM 1791 N LYS A 119 0.635 11.117 14.479 1.00 0.23 N ATOM 1792 CA LYS A 119 1.715 10.759 15.374 1.00 0.26 C ATOM 1793 C LYS A 119 3.001 11.445 14.939 1.00 0.28 C ATOM 1794 O LYS A 119 3.356 11.420 13.765 1.00 0.26 O ATOM 1795 CB LYS A 119 1.911 9.243 15.363 1.00 0.29 C ATOM 1796 CG LYS A 119 0.801 8.466 16.052 1.00 0.36 C ATOM 1797 CD LYS A 119 1.118 8.239 17.522 1.00 0.72 C ATOM 1798 CE LYS A 119 2.358 7.370 17.683 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.732 7.174 19.103 1.00 1.17 N ATOM 0 H LYS A 119 0.264 10.334 13.941 1.00 0.23 H new ATOM 0 HA LYS A 119 1.463 11.084 16.383 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.988 8.905 14.329 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.859 9.007 15.847 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.139 9.011 15.960 1.00 0.36 H new ATOM 0 HG3 LYS A 119 0.663 7.506 15.555 1.00 0.36 H new ATOM 0 HD2 LYS A 119 1.274 9.198 18.017 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.269 7.762 18.012 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.180 6.399 17.220 1.00 0.87 H new ATOM 0 HE3 LYS A 119 3.191 7.829 17.151 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 3.719 6.851 19.161 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 2.632 8.073 19.616 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.108 6.460 19.531 1.00 1.17 H new ATOM 1813 N PRO A 120 3.715 12.075 15.881 1.00 0.38 N ATOM 1814 CA PRO A 120 5.027 12.670 15.610 1.00 0.45 C ATOM 1815 C PRO A 120 6.038 11.604 15.197 1.00 0.40 C ATOM 1816 O PRO A 120 7.088 11.901 14.626 1.00 0.45 O ATOM 1817 CB PRO A 120 5.433 13.298 16.947 1.00 0.57 C ATOM 1818 CG PRO A 120 4.570 12.644 17.971 1.00 0.58 C ATOM 1819 CD PRO A 120 3.292 12.282 17.276 1.00 0.48 C ATOM 0 HA PRO A 120 4.993 13.391 14.793 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.489 13.127 17.156 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.281 14.377 16.936 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.055 11.757 18.379 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.381 13.317 18.807 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.844 11.383 17.699 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.550 13.076 17.358 1.00 0.48 H new ATOM 1827 N GLU A 121 5.687 10.355 15.480 1.00 0.35 N ATOM 1828 CA GLU A 121 6.521 9.213 15.134 1.00 0.37 C ATOM 1829 C GLU A 121 6.151 8.685 13.754 1.00 0.30 C ATOM 1830 O GLU A 121 6.566 7.597 13.360 1.00 0.37 O ATOM 1831 CB GLU A 121 6.348 8.105 16.171 1.00 0.48 C ATOM 1832 CG GLU A 121 6.475 8.588 17.605 1.00 0.62 C ATOM 1833 CD GLU A 121 6.387 7.453 18.604 1.00 1.04 C ATOM 1834 OE1 GLU A 121 5.337 6.785 18.655 1.00 1.45 O ATOM 1835 OE2 GLU A 121 7.371 7.221 19.334 1.00 1.40 O ATOM 0 H GLU A 121 4.819 10.107 15.954 1.00 0.35 H new ATOM 0 HA GLU A 121 7.562 9.535 15.122 1.00 0.37 H new ATOM 0 HB2 GLU A 121 5.370 7.644 16.037 1.00 0.48 H new ATOM 0 HB3 GLU A 121 7.093 7.330 15.990 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.427 9.105 17.729 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.689 9.314 17.813 1.00 0.62 H new ATOM 1842 N ALA A 122 5.338 9.463 13.043 1.00 0.24 N ATOM 1843 CA ALA A 122 4.946 9.140 11.676 1.00 0.22 C ATOM 1844 C ALA A 122 6.167 8.973 10.795 1.00 0.21 C ATOM 1845 O ALA A 122 6.953 9.907 10.625 1.00 0.26 O ATOM 1846 CB ALA A 122 4.047 10.227 11.106 1.00 0.27 C ATOM 0 H ALA A 122 4.935 10.330 13.397 1.00 0.24 H new ATOM 0 HA ALA A 122 4.395 8.200 11.697 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.765 9.968 10.085 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.150 10.316 11.719 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.581 11.177 11.105 1.00 0.27 H new ATOM 1852 N ASN A 123 6.329 7.780 10.256 1.00 0.21 N ATOM 1853 CA ASN A 123 7.383 7.518 9.291 1.00 0.23 C ATOM 1854 C ASN A 123 6.770 6.885 8.062 1.00 0.23 C ATOM 1855 O ASN A 123 6.891 5.681 7.829 1.00 0.25 O ATOM 1856 CB ASN A 123 8.456 6.597 9.873 1.00 0.26 C ATOM 1857 CG ASN A 123 9.803 7.238 9.897 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.553 7.022 8.853 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.174 7.916 10.856 1.00 0.52 N flip ATOM 0 H ASN A 123 5.743 6.973 10.470 1.00 0.21 H new ATOM 0 HA ASN A 123 7.864 8.461 9.031 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.175 6.311 10.886 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.503 5.681 9.284 1.00 0.26 H new ATOM 0 HD21 ASN A 123 9.552 8.058 11.652 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.104 8.336 10.855 1.00 0.52 H new ATOM 1866 N PRO A 124 6.113 7.708 7.252 1.00 0.25 N ATOM 1867 CA PRO A 124 5.341 7.248 6.103 1.00 0.32 C ATOM 1868 C PRO A 124 6.182 6.575 5.047 1.00 0.33 C ATOM 1869 O PRO A 124 6.016 5.393 4.780 1.00 0.35 O ATOM 1870 CB PRO A 124 4.740 8.530 5.555 1.00 0.40 C ATOM 1871 CG PRO A 124 5.629 9.618 6.043 1.00 0.32 C ATOM 1872 CD PRO A 124 6.054 9.175 7.404 1.00 0.27 C ATOM 0 HA PRO A 124 4.610 6.493 6.392 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.701 8.512 4.466 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.718 8.668 5.908 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.487 9.754 5.385 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.103 10.572 6.083 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.020 9.594 7.685 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.341 9.476 8.171 1.00 0.27 H new ATOM 1880 N ASP A 125 7.089 7.334 4.464 1.00 0.37 N ATOM 1881 CA ASP A 125 7.956 6.830 3.406 1.00 0.44 C ATOM 1882 C ASP A 125 8.714 5.595 3.865 1.00 0.34 C ATOM 1883 O ASP A 125 9.148 4.780 3.054 1.00 0.33 O ATOM 1884 CB ASP A 125 8.935 7.913 2.966 1.00 0.61 C ATOM 1885 CG ASP A 125 8.225 9.173 2.520 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.905 10.012 3.386 1.00 1.44 O ATOM 1887 OD2 ASP A 125 7.963 9.326 1.307 1.00 1.13 O ATOM 0 H ASP A 125 7.249 8.312 4.705 1.00 0.37 H new ATOM 0 HA ASP A 125 7.330 6.551 2.559 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.609 8.149 3.790 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.550 7.535 2.149 1.00 0.61 H new ATOM 1892 N ARG A 126 8.830 5.442 5.176 1.00 0.31 N ATOM 1893 CA ARG A 126 9.467 4.262 5.738 1.00 0.31 C ATOM 1894 C ARG A 126 8.554 3.063 5.567 1.00 0.27 C ATOM 1895 O ARG A 126 8.920 2.051 4.967 1.00 0.30 O ATOM 1896 CB ARG A 126 9.777 4.478 7.221 1.00 0.35 C ATOM 1897 CG ARG A 126 9.951 3.194 8.021 1.00 0.51 C ATOM 1898 CD ARG A 126 11.134 2.362 7.543 1.00 1.24 C ATOM 1899 NE ARG A 126 11.029 0.980 8.013 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.045 0.247 8.462 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.281 0.730 8.477 1.00 3.49 N ATOM 1902 NH2 ARG A 126 11.818 -0.987 8.891 1.00 3.79 N ATOM 0 H ARG A 126 8.494 6.115 5.865 1.00 0.31 H new ATOM 0 HA ARG A 126 10.404 4.080 5.212 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.687 5.071 7.307 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.972 5.063 7.666 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.088 3.442 9.074 1.00 0.51 H new ATOM 0 HG3 ARG A 126 9.040 2.599 7.949 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.177 2.377 6.454 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.063 2.803 7.905 1.00 1.24 H new ATOM 0 HE ARG A 126 10.106 0.545 7.995 1.00 1.92 H new ATOM 0 HH11 ARG A 126 13.463 1.676 8.141 1.00 3.49 H new ATOM 0 HH12 ARG A 126 14.049 0.155 8.824 1.00 3.49 H new ATOM 0 HH21 ARG A 126 10.871 -1.366 8.875 1.00 3.79 H new ATOM 0 HH22 ARG A 126 12.590 -1.557 9.237 1.00 3.79 H new ATOM 1916 N VAL A 127 7.353 3.203 6.092 1.00 0.25 N ATOM 1917 CA VAL A 127 6.376 2.131 6.054 1.00 0.28 C ATOM 1918 C VAL A 127 5.952 1.804 4.616 1.00 0.28 C ATOM 1919 O VAL A 127 5.663 0.654 4.306 1.00 0.33 O ATOM 1920 CB VAL A 127 5.164 2.437 6.970 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.663 2.720 8.371 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.313 3.599 6.480 1.00 0.44 C ATOM 0 H VAL A 127 7.028 4.053 6.553 1.00 0.25 H new ATOM 0 HA VAL A 127 6.853 1.235 6.450 1.00 0.28 H new ATOM 0 HB VAL A 127 4.520 1.558 6.956 1.00 0.36 H new ATOM 0 HG11 VAL A 127 4.816 2.936 9.022 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.198 1.849 8.749 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.334 3.578 8.352 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.483 3.758 7.168 1.00 0.44 H new ATOM 0 HG22 VAL A 127 4.922 4.502 6.432 1.00 0.44 H new ATOM 0 HG23 VAL A 127 3.923 3.372 5.488 1.00 0.44 H new ATOM 1932 N MET A 128 5.981 2.800 3.726 1.00 0.27 N ATOM 1933 CA MET A 128 5.709 2.563 2.299 1.00 0.31 C ATOM 1934 C MET A 128 6.741 1.606 1.739 1.00 0.26 C ATOM 1935 O MET A 128 6.430 0.724 0.937 1.00 0.35 O ATOM 1936 CB MET A 128 5.779 3.854 1.475 1.00 0.52 C ATOM 1937 CG MET A 128 5.067 5.020 2.107 1.00 0.81 C ATOM 1938 SD MET A 128 5.279 6.567 1.195 1.00 0.67 S ATOM 1939 CE MET A 128 4.416 6.223 -0.342 1.00 0.46 C ATOM 0 H MET A 128 6.188 3.771 3.962 1.00 0.27 H new ATOM 0 HA MET A 128 4.702 2.153 2.230 1.00 0.31 H new ATOM 0 HB2 MET A 128 6.825 4.119 1.322 1.00 0.52 H new ATOM 0 HB3 MET A 128 5.349 3.669 0.490 1.00 0.52 H new ATOM 0 HG2 MET A 128 4.004 4.792 2.179 1.00 0.81 H new ATOM 0 HG3 MET A 128 5.434 5.153 3.125 1.00 0.81 H new ATOM 0 HE1 MET A 128 5.063 6.466 -1.185 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.150 5.167 -0.381 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.510 6.827 -0.394 1.00 0.46 H new ATOM 1949 N GLN A 129 7.972 1.796 2.175 1.00 0.24 N ATOM 1950 CA GLN A 129 9.087 0.995 1.674 1.00 0.27 C ATOM 1951 C GLN A 129 8.985 -0.455 2.128 1.00 0.30 C ATOM 1952 O GLN A 129 9.516 -1.350 1.476 1.00 0.33 O ATOM 1953 CB GLN A 129 10.431 1.584 2.091 1.00 0.32 C ATOM 1954 CG GLN A 129 10.909 2.699 1.179 1.00 0.42 C ATOM 1955 CD GLN A 129 12.320 3.147 1.501 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.533 4.042 2.316 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.291 2.520 0.861 1.00 1.31 N ATOM 0 H GLN A 129 8.231 2.494 2.872 1.00 0.24 H new ATOM 0 HA GLN A 129 9.026 1.016 0.586 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.352 1.966 3.109 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.178 0.791 2.105 1.00 0.32 H new ATOM 0 HG2 GLN A 129 10.866 2.361 0.144 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.233 3.549 1.265 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.068 1.783 0.192 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.264 2.773 1.035 1.00 1.31 H new ATOM 1966 N GLU A 130 8.308 -0.691 3.234 1.00 0.37 N ATOM 1967 CA GLU A 130 8.125 -2.054 3.721 1.00 0.43 C ATOM 1968 C GLU A 130 7.136 -2.797 2.831 1.00 0.36 C ATOM 1969 O GLU A 130 7.248 -4.004 2.620 1.00 0.35 O ATOM 1970 CB GLU A 130 7.639 -2.041 5.162 1.00 0.61 C ATOM 1971 CG GLU A 130 8.233 -0.904 5.962 1.00 0.63 C ATOM 1972 CD GLU A 130 8.055 -1.075 7.453 1.00 1.04 C ATOM 1973 OE1 GLU A 130 6.909 -1.204 7.910 1.00 1.63 O ATOM 1974 OE2 GLU A 130 9.075 -1.087 8.177 1.00 1.64 O ATOM 0 H GLU A 130 7.877 0.031 3.811 1.00 0.37 H new ATOM 0 HA GLU A 130 9.084 -2.572 3.687 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.552 -1.961 5.175 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.895 -2.988 5.637 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.296 -0.824 5.735 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.770 0.032 5.651 1.00 0.63 H new ATOM 1981 N LEU A 131 6.174 -2.057 2.296 1.00 0.36 N ATOM 1982 CA LEU A 131 5.229 -2.615 1.342 1.00 0.37 C ATOM 1983 C LEU A 131 5.947 -3.017 0.069 1.00 0.29 C ATOM 1984 O LEU A 131 5.633 -4.041 -0.535 1.00 0.32 O ATOM 1985 CB LEU A 131 4.119 -1.615 1.015 1.00 0.49 C ATOM 1986 CG LEU A 131 2.990 -1.509 2.048 1.00 0.71 C ATOM 1987 CD1 LEU A 131 2.290 -2.836 2.198 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.522 -1.072 3.389 1.00 1.18 C ATOM 0 H LEU A 131 6.029 -1.070 2.507 1.00 0.36 H new ATOM 0 HA LEU A 131 4.775 -3.496 1.796 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.568 -0.629 0.893 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.682 -1.887 0.054 1.00 0.49 H new ATOM 0 HG LEU A 131 2.282 -0.762 1.690 1.00 0.71 H new ATOM 0 HD11 LEU A 131 1.491 -2.745 2.934 1.00 1.36 H new ATOM 0 HD12 LEU A 131 1.867 -3.135 1.239 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.005 -3.589 2.529 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.700 -1.005 4.102 1.00 1.18 H new ATOM 0 HD22 LEU A 131 4.253 -1.798 3.745 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.998 -0.096 3.291 1.00 1.18 H new ATOM 2000 N MET A 132 6.932 -2.225 -0.338 1.00 0.25 N ATOM 2001 CA MET A 132 7.670 -2.542 -1.544 1.00 0.26 C ATOM 2002 C MET A 132 8.655 -3.670 -1.277 1.00 0.30 C ATOM 2003 O MET A 132 9.180 -4.277 -2.207 1.00 0.37 O ATOM 2004 CB MET A 132 8.394 -1.326 -2.129 1.00 0.32 C ATOM 2005 CG MET A 132 9.718 -0.995 -1.456 1.00 0.88 C ATOM 2006 SD MET A 132 10.545 0.419 -2.206 1.00 1.60 S ATOM 2007 CE MET A 132 10.480 -0.039 -3.936 1.00 1.61 C ATOM 0 H MET A 132 7.230 -1.376 0.142 1.00 0.25 H new ATOM 0 HA MET A 132 6.943 -2.865 -2.289 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.574 -1.502 -3.190 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.738 -0.459 -2.057 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.543 -0.790 -0.400 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.374 -1.864 -1.507 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.392 0.290 -4.434 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.389 -1.122 -4.023 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.619 0.436 -4.406 1.00 1.61 H new ATOM 2017 N GLU A 133 8.888 -3.960 -0.001 1.00 0.32 N ATOM 2018 CA GLU A 133 9.677 -5.114 0.380 1.00 0.40 C ATOM 2019 C GLU A 133 8.880 -6.371 0.096 1.00 0.38 C ATOM 2020 O GLU A 133 9.436 -7.434 -0.168 1.00 0.45 O ATOM 2021 CB GLU A 133 10.054 -5.035 1.852 1.00 0.54 C ATOM 2022 CG GLU A 133 11.083 -3.961 2.142 1.00 0.79 C ATOM 2023 CD GLU A 133 12.482 -4.376 1.738 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.804 -4.329 0.530 1.00 1.67 O ATOM 2025 OE2 GLU A 133 13.262 -4.775 2.629 1.00 1.53 O ATOM 0 H GLU A 133 8.539 -3.408 0.783 1.00 0.32 H new ATOM 0 HA GLU A 133 10.600 -5.135 -0.200 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.158 -4.841 2.441 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.444 -6.001 2.174 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.811 -3.048 1.612 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.070 -3.727 3.207 1.00 0.79 H new ATOM 2032 N TYR A 134 7.558 -6.237 0.152 1.00 0.35 N ATOM 2033 CA TYR A 134 6.679 -7.292 -0.305 1.00 0.40 C ATOM 2034 C TYR A 134 6.232 -7.020 -1.739 1.00 0.41 C ATOM 2035 O TYR A 134 5.218 -7.534 -2.216 1.00 0.50 O ATOM 2036 CB TYR A 134 5.521 -7.449 0.655 1.00 0.46 C ATOM 2037 CG TYR A 134 5.991 -7.988 1.988 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.580 -9.242 2.063 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.904 -7.231 3.149 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.061 -9.734 3.257 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.394 -7.712 4.348 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.968 -8.965 4.397 1.00 0.80 C ATOM 2043 OH TYR A 134 7.467 -9.447 5.585 1.00 0.95 O ATOM 0 H TYR A 134 7.080 -5.410 0.509 1.00 0.35 H new ATOM 0 HA TYR A 134 7.213 -8.242 -0.318 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.031 -6.486 0.800 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.778 -8.123 0.228 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.663 -9.843 1.170 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.447 -6.253 3.114 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.508 -10.716 3.299 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.328 -7.110 5.242 1.00 0.95 H new ATOM 0 HH TYR A 134 7.324 -8.784 6.293 1.00 0.95 H new ATOM 2053 N ASN A 135 7.028 -6.180 -2.394 1.00 0.36 N ATOM 2054 CA ASN A 135 6.963 -5.919 -3.823 1.00 0.43 C ATOM 2055 C ASN A 135 5.618 -5.349 -4.242 1.00 0.48 C ATOM 2056 O ASN A 135 4.970 -5.843 -5.162 1.00 0.64 O ATOM 2057 CB ASN A 135 7.295 -7.195 -4.602 1.00 0.58 C ATOM 2058 CG ASN A 135 7.652 -6.952 -6.053 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.244 -5.968 -6.670 1.00 0.89 O ATOM 2060 ND2 ASN A 135 8.422 -7.864 -6.612 1.00 1.10 N ATOM 0 H ASN A 135 7.760 -5.646 -1.926 1.00 0.36 H new ATOM 0 HA ASN A 135 7.707 -5.158 -4.060 1.00 0.43 H new ATOM 0 HB2 ASN A 135 8.127 -7.701 -4.113 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.440 -7.870 -4.556 1.00 0.58 H new ATOM 0 HD21 ASN A 135 8.700 -7.768 -7.589 1.00 1.10 H new ATOM 0 HD22 ASN A 135 8.740 -8.666 -6.068 1.00 1.10 H new ATOM 2067 N LEU A 136 5.182 -4.326 -3.541 1.00 0.44 N ATOM 2068 CA LEU A 136 4.091 -3.526 -4.002 1.00 0.54 C ATOM 2069 C LEU A 136 4.512 -2.067 -3.888 1.00 0.41 C ATOM 2070 O LEU A 136 4.882 -1.594 -2.815 1.00 0.47 O ATOM 2071 CB LEU A 136 2.839 -3.865 -3.202 1.00 0.78 C ATOM 2072 CG LEU A 136 2.761 -3.322 -1.782 1.00 0.64 C ATOM 2073 CD1 LEU A 136 1.923 -2.054 -1.741 1.00 1.36 C ATOM 2074 CD2 LEU A 136 2.197 -4.381 -0.852 1.00 1.17 C ATOM 0 H LEU A 136 5.575 -4.035 -2.646 1.00 0.44 H new ATOM 0 HA LEU A 136 3.844 -3.725 -5.045 1.00 0.54 H new ATOM 0 HB2 LEU A 136 1.974 -3.497 -3.754 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.750 -4.950 -3.156 1.00 0.78 H new ATOM 0 HG LEU A 136 3.766 -3.068 -1.444 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.878 -1.680 -0.718 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.375 -1.299 -2.384 1.00 1.36 H new ATOM 0 HD13 LEU A 136 0.914 -2.273 -2.092 1.00 1.36 H new ATOM 0 HD21 LEU A 136 2.145 -3.984 0.162 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.197 -4.662 -1.184 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.843 -5.259 -0.865 1.00 1.17 H new ATOM 2086 N VAL A 137 4.509 -1.375 -5.007 1.00 0.31 N ATOM 2087 CA VAL A 137 5.170 -0.084 -5.089 1.00 0.27 C ATOM 2088 C VAL A 137 4.182 1.066 -5.193 1.00 0.29 C ATOM 2089 O VAL A 137 3.254 1.040 -6.003 1.00 0.33 O ATOM 2090 CB VAL A 137 6.146 -0.042 -6.281 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.651 1.372 -6.522 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.308 -0.988 -6.045 1.00 0.41 C ATOM 0 H VAL A 137 4.059 -1.680 -5.870 1.00 0.31 H new ATOM 0 HA VAL A 137 5.728 0.040 -4.161 1.00 0.27 H new ATOM 0 HB VAL A 137 5.608 -0.365 -7.172 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.338 1.374 -7.368 1.00 0.43 H new ATOM 0 HG12 VAL A 137 5.808 2.028 -6.738 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.170 1.729 -5.633 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.989 -0.947 -6.895 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.839 -0.693 -5.140 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.932 -2.005 -5.930 1.00 0.41 H new ATOM 2102 N PRO A 138 4.374 2.067 -4.319 1.00 0.34 N ATOM 2103 CA PRO A 138 3.660 3.331 -4.343 1.00 0.43 C ATOM 2104 C PRO A 138 3.514 3.912 -5.729 1.00 0.43 C ATOM 2105 O PRO A 138 4.399 3.798 -6.581 1.00 0.45 O ATOM 2106 CB PRO A 138 4.548 4.243 -3.509 1.00 0.53 C ATOM 2107 CG PRO A 138 5.197 3.346 -2.527 1.00 0.54 C ATOM 2108 CD PRO A 138 5.285 1.992 -3.175 1.00 0.39 C ATOM 0 HA PRO A 138 2.641 3.213 -3.975 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.287 4.751 -4.129 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.963 5.017 -3.012 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.188 3.714 -2.262 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.618 3.297 -1.605 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.304 1.771 -3.494 1.00 0.39 H new ATOM 0 HD3 PRO A 138 4.989 1.202 -2.484 1.00 0.39 H new ATOM 2116 N GLU A 139 2.404 4.576 -5.921 1.00 0.48 N ATOM 2117 CA GLU A 139 2.097 5.213 -7.198 1.00 0.56 C ATOM 2118 C GLU A 139 2.909 6.479 -7.365 1.00 0.56 C ATOM 2119 O GLU A 139 3.127 6.955 -8.481 1.00 0.64 O ATOM 2120 CB GLU A 139 0.610 5.520 -7.325 1.00 0.71 C ATOM 2121 CG GLU A 139 -0.181 4.370 -7.918 1.00 1.35 C ATOM 2122 CD GLU A 139 0.384 3.933 -9.248 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.303 3.095 -9.253 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.074 4.450 -10.288 1.00 2.78 O ATOM 0 H GLU A 139 1.684 4.696 -5.208 1.00 0.48 H new ATOM 0 HA GLU A 139 2.363 4.513 -7.990 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.209 5.761 -6.341 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.479 6.404 -7.948 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.175 3.528 -7.225 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -1.221 4.671 -8.045 1.00 1.35 H new ATOM 2131 N GLU A 140 3.352 7.015 -6.245 1.00 0.54 N ATOM 2132 CA GLU A 140 4.293 8.118 -6.237 1.00 0.60 C ATOM 2133 C GLU A 140 5.644 7.656 -6.772 1.00 0.56 C ATOM 2134 O GLU A 140 6.454 8.463 -7.221 1.00 0.65 O ATOM 2135 CB GLU A 140 4.453 8.692 -4.817 1.00 0.67 C ATOM 2136 CG GLU A 140 4.290 7.673 -3.705 1.00 0.63 C ATOM 2137 CD GLU A 140 2.836 7.420 -3.359 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.244 8.257 -2.653 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.282 6.395 -3.810 1.00 1.57 O ATOM 0 H GLU A 140 3.071 6.699 -5.317 1.00 0.54 H new ATOM 0 HA GLU A 140 3.904 8.906 -6.882 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.439 9.149 -4.732 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.720 9.486 -4.675 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.757 6.735 -4.005 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.816 8.022 -2.817 1.00 0.63 H new ATOM 2146 N TRP A 141 5.883 6.347 -6.725 1.00 0.47 N ATOM 2147 CA TRP A 141 7.141 5.789 -7.172 1.00 0.49 C ATOM 2148 C TRP A 141 6.968 5.086 -8.518 1.00 0.51 C ATOM 2149 O TRP A 141 7.943 4.816 -9.216 1.00 0.66 O ATOM 2150 CB TRP A 141 7.680 4.837 -6.128 1.00 0.45 C ATOM 2151 CG TRP A 141 7.867 5.459 -4.771 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.736 6.777 -4.428 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.215 4.774 -3.573 1.00 0.44 C ATOM 2154 NE1 TRP A 141 7.969 6.942 -3.086 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.267 5.727 -2.538 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.482 3.444 -3.276 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.577 5.383 -1.227 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.788 3.101 -1.977 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.832 4.070 -0.962 1.00 0.52 C ATOM 0 H TRP A 141 5.215 5.658 -6.380 1.00 0.47 H new ATOM 0 HA TRP A 141 7.860 6.597 -7.308 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.000 3.990 -6.038 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.637 4.442 -6.470 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.485 7.572 -5.114 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.927 7.827 -2.581 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.450 2.691 -4.050 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.614 6.129 -0.447 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 8.998 2.069 -1.736 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.072 3.770 0.047 1.00 0.52 H new ATOM 2170 N GLY A 142 5.721 4.784 -8.865 1.00 0.45 N ATOM 2171 CA GLY A 142 5.422 4.272 -10.188 1.00 0.50 C ATOM 2172 C GLY A 142 5.164 2.776 -10.218 1.00 0.45 C ATOM 2173 O GLY A 142 5.294 2.145 -11.270 1.00 0.53 O ATOM 0 H GLY A 142 4.912 4.885 -8.252 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.547 4.791 -10.580 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.254 4.502 -10.854 1.00 0.50 H new ATOM 2177 N GLY A 143 4.800 2.202 -9.077 1.00 0.39 N ATOM 2178 CA GLY A 143 4.505 0.774 -9.037 1.00 0.41 C ATOM 2179 C GLY A 143 3.093 0.477 -9.481 1.00 0.45 C ATOM 2180 O GLY A 143 2.795 0.504 -10.679 1.00 0.60 O ATOM 0 H GLY A 143 4.703 2.689 -8.186 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.207 0.240 -9.678 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.653 0.401 -8.023 1.00 0.41 H new ATOM 2184 N ASP A 144 2.232 0.161 -8.522 1.00 0.40 N ATOM 2185 CA ASP A 144 0.802 0.053 -8.780 1.00 0.45 C ATOM 2186 C ASP A 144 0.021 0.021 -7.473 1.00 0.33 C ATOM 2187 O ASP A 144 -0.703 -0.934 -7.157 1.00 0.35 O ATOM 2188 CB ASP A 144 0.464 -1.172 -9.648 1.00 0.64 C ATOM 2189 CG ASP A 144 0.972 -2.495 -9.093 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.113 -2.884 -9.430 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.224 -3.182 -8.369 1.00 1.91 O ATOM 0 H ASP A 144 2.500 -0.025 -7.556 1.00 0.40 H new ATOM 0 HA ASP A 144 0.505 0.939 -9.342 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.618 -1.232 -9.764 1.00 0.64 H new ATOM 0 HB3 ASP A 144 0.884 -1.024 -10.643 1.00 0.64 H new ATOM 2196 N THR A 145 0.139 1.103 -6.734 1.00 0.26 N ATOM 2197 CA THR A 145 -0.535 1.228 -5.457 1.00 0.24 C ATOM 2198 C THR A 145 -0.562 2.679 -4.987 1.00 0.27 C ATOM 2199 O THR A 145 0.479 3.241 -4.653 1.00 0.37 O ATOM 2200 CB THR A 145 0.154 0.378 -4.372 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.070 -1.021 -4.683 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.483 0.638 -3.026 1.00 0.30 C ATOM 0 H THR A 145 0.699 1.914 -6.997 1.00 0.26 H new ATOM 0 HA THR A 145 -1.554 0.871 -5.606 1.00 0.24 H new ATOM 0 HB THR A 145 1.206 0.663 -4.338 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.506 -1.148 -5.466 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.011 0.032 -2.266 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.380 1.693 -2.772 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.540 0.376 -3.067 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.738 3.286 -4.953 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.868 4.615 -4.397 1.00 0.28 C ATOM 2212 C ILE A 146 -1.659 4.556 -2.888 1.00 0.23 C ATOM 2213 O ILE A 146 -2.489 4.027 -2.147 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.241 5.240 -4.718 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.321 5.661 -6.189 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.517 6.422 -3.806 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.443 6.845 -6.530 1.00 0.63 C ATOM 0 H ILE A 146 -2.607 2.880 -5.302 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.107 5.249 -4.853 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.006 4.484 -4.542 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.036 4.816 -6.816 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.355 5.904 -6.433 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.490 6.849 -4.048 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.515 6.089 -2.768 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.744 7.178 -3.946 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.552 7.086 -7.588 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.742 7.704 -5.930 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.402 6.599 -6.319 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.519 5.048 -2.461 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.194 5.152 -1.052 1.00 0.30 C ATOM 2231 C PHE A 147 -0.680 6.484 -0.494 1.00 0.32 C ATOM 2232 O PHE A 147 -0.145 7.537 -0.827 1.00 0.50 O ATOM 2233 CB PHE A 147 1.306 5.069 -0.873 1.00 0.41 C ATOM 2234 CG PHE A 147 1.850 3.680 -0.745 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.820 2.807 -1.813 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.408 3.253 0.445 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.335 1.533 -1.699 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.927 1.980 0.566 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.891 1.119 -0.507 1.00 0.33 C ATOM 0 H PHE A 147 0.214 5.390 -3.082 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.683 4.336 -0.520 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.786 5.555 -1.723 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.583 5.635 0.016 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.388 3.126 -2.750 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.438 3.924 1.291 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.303 0.860 -2.543 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.361 1.660 1.502 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.297 0.122 -0.416 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.689 6.433 0.342 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.234 7.641 0.958 1.00 0.27 C ATOM 2251 C CYS A 148 -1.692 7.838 2.369 1.00 0.31 C ATOM 2252 O CYS A 148 -1.940 7.028 3.250 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.753 7.564 0.992 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.522 7.529 -0.643 1.00 0.68 S ATOM 0 H CYS A 148 -2.157 5.570 0.618 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.925 8.496 0.356 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -4.049 6.670 1.541 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.138 8.421 1.545 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.146 8.650 -0.853 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.955 8.918 2.579 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.391 9.226 3.892 1.00 0.28 C ATOM 2262 C LYS A 149 -1.396 10.020 4.719 1.00 0.28 C ATOM 2263 O LYS A 149 -1.431 11.251 4.653 1.00 0.40 O ATOM 2264 CB LYS A 149 0.897 10.035 3.733 1.00 0.36 C ATOM 2265 CG LYS A 149 1.963 9.341 2.907 1.00 0.56 C ATOM 2266 CD LYS A 149 3.158 10.250 2.693 1.00 0.89 C ATOM 2267 CE LYS A 149 4.243 9.565 1.886 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.429 10.446 1.699 1.00 1.44 N ATOM 0 H LYS A 149 -0.731 9.601 1.856 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.165 8.291 4.404 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.658 10.992 3.269 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.302 10.252 4.721 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.281 8.428 3.410 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.548 9.046 1.943 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.839 11.156 2.179 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.560 10.556 3.659 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.547 8.647 2.390 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.846 9.278 0.912 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 6.232 9.880 1.358 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.206 11.185 1.002 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.679 10.889 2.606 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.217 9.322 5.488 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.299 9.943 6.205 1.00 0.22 C ATOM 2284 C LEU A 150 -3.209 9.696 7.701 1.00 0.19 C ATOM 2285 O LEU A 150 -2.366 8.967 8.191 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.615 9.380 5.675 1.00 0.25 C ATOM 2287 CG LEU A 150 -5.056 8.018 6.219 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -6.297 7.567 5.500 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -3.981 6.971 6.067 1.00 0.84 C ATOM 0 H LEU A 150 -2.146 8.314 5.627 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.242 11.020 6.049 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.403 10.102 5.889 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.539 9.303 4.590 1.00 0.25 H new ATOM 0 HG LEU A 150 -5.256 8.137 7.284 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -6.610 6.598 5.888 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -7.093 8.295 5.657 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.089 7.481 4.434 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -4.338 6.022 6.466 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -3.736 6.851 5.012 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -3.090 7.282 6.613 1.00 0.84 H new ATOM 2301 N SER A 151 -4.078 10.333 8.423 1.00 0.26 N ATOM 2302 CA SER A 151 -4.316 9.970 9.787 1.00 0.29 C ATOM 2303 C SER A 151 -5.790 10.033 10.042 1.00 0.25 C ATOM 2304 O SER A 151 -6.381 11.111 10.123 1.00 0.29 O ATOM 2305 CB SER A 151 -3.556 10.849 10.748 1.00 0.46 C ATOM 2306 OG SER A 151 -2.740 10.046 11.553 1.00 1.77 O ATOM 0 H SER A 151 -4.640 11.115 8.087 1.00 0.26 H new ATOM 0 HA SER A 151 -3.953 8.956 9.955 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.950 11.571 10.200 1.00 0.46 H new ATOM 0 HB3 SER A 151 -4.250 11.419 11.366 1.00 0.46 H new ATOM 0 HG SER A 151 -3.070 10.065 12.475 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.399 8.867 10.117 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.807 8.777 10.432 1.00 0.31 C ATOM 2314 C ALA A 152 -8.060 9.353 11.810 1.00 0.33 C ATOM 2315 O ALA A 152 -9.185 9.708 12.156 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.273 7.344 10.355 1.00 0.41 C ATOM 0 H ALA A 152 -5.939 7.969 9.964 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.374 9.355 9.702 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.335 7.293 10.595 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.110 6.962 9.347 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.711 6.740 11.067 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.988 9.443 12.585 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.031 10.103 13.866 1.00 0.34 C ATOM 2324 C LYS A 153 -7.359 11.584 13.700 1.00 0.36 C ATOM 2325 O LYS A 153 -8.347 12.072 14.251 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.700 9.931 14.555 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.733 10.214 16.037 1.00 0.60 C ATOM 2328 CD LYS A 153 -5.607 11.699 16.327 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.636 11.996 17.813 1.00 1.65 C ATOM 2330 NZ LYS A 153 -5.392 13.437 18.080 1.00 2.30 N ATOM 0 H LYS A 153 -6.075 9.061 12.339 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.816 9.654 14.475 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.351 8.910 14.398 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -4.972 10.592 14.086 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.665 9.838 16.459 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.922 9.677 16.528 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -4.676 12.073 15.901 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -6.420 12.234 15.835 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -6.602 11.706 18.225 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -4.880 11.397 18.321 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -5.418 13.609 19.105 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -4.459 13.706 17.707 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -6.128 14.006 17.615 1.00 2.30 H new ATOM 2344 N THR A 154 -6.536 12.294 12.931 1.00 0.30 N ATOM 2345 CA THR A 154 -6.711 13.731 12.765 1.00 0.39 C ATOM 2346 C THR A 154 -7.823 14.066 11.777 1.00 0.36 C ATOM 2347 O THR A 154 -8.195 15.231 11.627 1.00 0.41 O ATOM 2348 CB THR A 154 -5.407 14.410 12.327 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.695 13.553 11.427 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.537 14.740 13.527 1.00 0.70 C ATOM 0 H THR A 154 -5.748 11.899 12.418 1.00 0.30 H new ATOM 0 HA THR A 154 -6.998 14.117 13.743 1.00 0.39 H new ATOM 0 HB THR A 154 -5.656 15.342 11.820 1.00 0.47 H new ATOM 0 HG1 THR A 154 -4.217 14.097 10.767 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.619 15.221 13.189 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.076 15.414 14.193 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.291 13.822 14.061 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.340 13.030 11.107 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.494 13.170 10.222 1.00 0.32 C ATOM 2360 C LYS A 155 -9.171 14.011 9.008 1.00 0.34 C ATOM 2361 O LYS A 155 -9.965 14.846 8.586 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.674 13.782 10.971 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.482 12.768 11.733 1.00 0.40 C ATOM 2364 CD LYS A 155 -12.006 11.699 10.797 1.00 0.45 C ATOM 2365 CE LYS A 155 -13.274 11.072 11.353 1.00 0.61 C ATOM 2366 NZ LYS A 155 -14.294 12.107 11.691 1.00 1.36 N ATOM 0 H LYS A 155 -7.972 12.080 11.164 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.761 12.170 9.881 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.304 14.537 11.664 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.322 14.293 10.259 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.867 12.312 12.508 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.315 13.260 12.235 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -12.208 12.133 9.818 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -11.247 10.930 10.654 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.688 10.377 10.622 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -13.034 10.492 12.244 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -15.239 11.761 11.430 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -14.266 12.301 12.712 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -14.089 12.981 11.166 1.00 1.36 H new ATOM 2380 N GLU A 156 -8.012 13.773 8.437 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.571 14.560 7.297 1.00 0.33 C ATOM 2382 C GLU A 156 -7.453 13.674 6.068 1.00 0.28 C ATOM 2383 O GLU A 156 -8.182 13.818 5.080 1.00 0.30 O ATOM 2384 CB GLU A 156 -6.216 15.195 7.608 1.00 0.40 C ATOM 2385 CG GLU A 156 -6.088 15.658 9.045 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.670 16.035 9.421 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.792 15.143 9.409 1.00 2.48 O ATOM 2388 OE2 GLU A 156 -4.432 17.209 9.760 1.00 1.52 O ATOM 0 H GLU A 156 -7.359 13.049 8.736 1.00 0.30 H new ATOM 0 HA GLU A 156 -8.302 15.344 7.099 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.427 14.474 7.394 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -6.060 16.045 6.944 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.741 16.516 9.204 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -6.436 14.866 9.708 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.547 12.724 6.165 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.262 11.852 5.064 1.00 0.28 C ATOM 2397 C GLY A 157 -7.393 10.898 4.737 1.00 0.27 C ATOM 2398 O GLY A 157 -7.360 10.251 3.697 1.00 0.29 O ATOM 0 H GLY A 157 -5.996 12.542 7.004 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -6.039 12.454 4.183 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.365 11.275 5.291 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.392 10.792 5.614 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.497 9.880 5.362 1.00 0.28 C ATOM 2404 C LEU A 158 -10.249 10.296 4.122 1.00 0.30 C ATOM 2405 O LEU A 158 -10.626 9.463 3.298 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.451 9.833 6.552 1.00 0.31 C ATOM 2407 CG LEU A 158 -10.027 8.908 7.687 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -11.052 8.943 8.804 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.851 7.490 7.168 1.00 0.80 C ATOM 0 H LEU A 158 -8.455 11.316 6.487 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.081 8.884 5.212 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.561 10.842 6.949 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.433 9.521 6.198 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.073 9.253 8.085 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.737 8.278 9.608 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.138 9.960 9.187 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -12.019 8.616 8.421 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.548 6.838 7.987 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.794 7.135 6.751 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -9.085 7.479 6.393 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.447 11.589 3.982 1.00 0.32 N ATOM 2422 CA ASP A 159 -11.145 12.100 2.832 1.00 0.38 C ATOM 2423 C ASP A 159 -10.205 12.204 1.645 1.00 0.32 C ATOM 2424 O ASP A 159 -10.615 11.981 0.510 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.812 13.438 3.143 1.00 0.50 C ATOM 2426 CG ASP A 159 -13.023 13.256 4.040 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -12.867 13.292 5.284 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -14.134 13.050 3.511 1.00 1.42 O ATOM 0 H ASP A 159 -10.136 12.297 4.647 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.938 11.400 2.570 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.095 14.100 3.627 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -12.115 13.921 2.214 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.933 12.499 1.915 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.921 12.498 0.859 1.00 0.30 C ATOM 2435 C HIS A 160 -7.803 11.101 0.247 1.00 0.28 C ATOM 2436 O HIS A 160 -7.523 10.955 -0.944 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.560 12.951 1.408 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.452 12.907 0.393 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.140 13.967 -0.431 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.585 11.914 0.066 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.136 13.629 -1.222 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.781 12.390 -0.938 1.00 0.54 N ATOM 0 H HIS A 160 -8.582 12.739 2.842 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.230 13.201 0.086 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.652 13.969 1.788 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.291 12.318 2.254 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.538 10.932 0.513 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.683 14.260 -1.973 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -3.030 11.870 -1.392 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.023 10.085 1.075 1.00 0.27 N ATOM 2452 CA LEU A 161 -7.994 8.696 0.633 1.00 0.28 C ATOM 2453 C LEU A 161 -9.038 8.485 -0.442 1.00 0.29 C ATOM 2454 O LEU A 161 -8.733 8.060 -1.555 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.280 7.769 1.822 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.316 6.271 1.508 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -6.949 5.774 1.068 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.804 5.490 2.718 1.00 1.16 C ATOM 0 H LEU A 161 -8.226 10.201 2.068 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.008 8.466 0.229 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.520 7.943 2.584 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.238 8.053 2.257 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.013 6.112 0.685 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.002 4.707 0.851 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.638 6.311 0.172 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.225 5.947 1.865 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -8.825 4.426 2.480 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.130 5.661 3.558 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -9.807 5.822 2.985 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.266 8.817 -0.094 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.396 8.703 -1.005 1.00 0.37 C ATOM 2472 C LEU A 162 -11.129 9.501 -2.266 1.00 0.38 C ATOM 2473 O LEU A 162 -11.368 9.021 -3.370 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.651 9.239 -0.331 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.801 8.858 1.133 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.042 9.502 1.725 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -12.856 7.347 1.300 1.00 1.51 C ATOM 0 H LEU A 162 -10.512 9.174 0.829 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.536 7.654 -1.265 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.653 10.326 -0.411 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.522 8.877 -0.877 1.00 0.47 H new ATOM 0 HG LEU A 162 -11.927 9.227 1.670 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.134 9.219 2.774 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.961 10.586 1.648 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.923 9.164 1.179 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -12.963 7.101 2.357 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -13.707 6.951 0.747 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -11.937 6.905 0.916 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.631 10.719 -2.081 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.292 11.597 -3.200 1.00 0.44 C ATOM 2491 C GLU A 163 -9.361 10.901 -4.190 1.00 0.41 C ATOM 2492 O GLU A 163 -9.558 10.985 -5.401 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.636 12.893 -2.715 1.00 0.56 C ATOM 2494 CG GLU A 163 -10.563 13.796 -1.920 1.00 1.03 C ATOM 2495 CD GLU A 163 -9.925 15.128 -1.580 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -8.912 15.143 -0.851 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -10.424 16.169 -2.055 1.00 2.14 O ATOM 0 H GLU A 163 -10.452 11.124 -1.162 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.228 11.841 -3.703 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.773 12.642 -2.098 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -9.262 13.444 -3.578 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -11.475 13.969 -2.492 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.855 13.291 -0.999 1.00 1.03 H new ATOM 2504 N MET A 164 -8.357 10.207 -3.675 1.00 0.37 N ATOM 2505 CA MET A 164 -7.400 9.528 -4.537 1.00 0.39 C ATOM 2506 C MET A 164 -8.012 8.255 -5.112 1.00 0.37 C ATOM 2507 O MET A 164 -7.710 7.864 -6.239 1.00 0.43 O ATOM 2508 CB MET A 164 -6.118 9.205 -3.773 1.00 0.43 C ATOM 2509 CG MET A 164 -4.851 9.672 -4.479 1.00 0.64 C ATOM 2510 SD MET A 164 -4.481 11.428 -4.225 1.00 0.58 S ATOM 2511 CE MET A 164 -5.870 12.230 -5.028 1.00 0.53 C ATOM 0 H MET A 164 -8.184 10.099 -2.676 1.00 0.37 H new ATOM 0 HA MET A 164 -7.148 10.196 -5.361 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.166 9.668 -2.788 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.060 8.128 -3.616 1.00 0.43 H new ATOM 0 HG2 MET A 164 -4.009 9.077 -4.126 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.950 9.481 -5.548 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.649 13.289 -5.165 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.046 11.767 -5.999 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.760 12.122 -4.408 1.00 0.53 H new ATOM 2521 N ILE A 165 -8.880 7.622 -4.334 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.592 6.434 -4.784 1.00 0.38 C ATOM 2523 C ILE A 165 -10.544 6.765 -5.932 1.00 0.44 C ATOM 2524 O ILE A 165 -10.520 6.111 -6.977 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.399 5.793 -3.638 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.457 5.234 -2.572 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.309 4.700 -4.173 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.175 4.678 -1.361 1.00 0.50 C ATOM 0 H ILE A 165 -9.109 7.914 -3.384 1.00 0.34 H new ATOM 0 HA ILE A 165 -8.838 5.727 -5.129 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.021 6.562 -3.180 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -8.846 4.447 -3.015 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -8.777 6.023 -2.250 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -11.871 4.259 -3.350 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.002 5.126 -4.898 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -10.708 3.930 -4.656 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.444 4.299 -0.647 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -10.764 5.467 -0.893 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -10.835 3.867 -1.670 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.380 7.780 -5.739 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.344 8.165 -6.762 1.00 0.57 C ATOM 2542 C LEU A 166 -11.634 8.681 -7.993 1.00 0.61 C ATOM 2543 O LEU A 166 -12.096 8.472 -9.101 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.361 9.195 -6.241 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.808 10.473 -5.600 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.519 11.540 -6.653 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.784 11.000 -4.558 1.00 1.38 C ATOM 0 H LEU A 166 -11.410 8.346 -4.891 1.00 0.46 H new ATOM 0 HA LEU A 166 -12.906 7.271 -7.033 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.002 9.486 -7.073 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.997 8.699 -5.508 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.866 10.228 -5.110 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -12.128 12.434 -6.167 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.783 11.161 -7.362 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -13.439 11.788 -7.182 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -13.382 11.908 -4.109 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.739 11.223 -5.034 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.932 10.247 -3.784 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.511 9.349 -7.787 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.658 9.768 -8.893 1.00 0.64 C ATOM 2561 C LEU A 167 -9.383 8.573 -9.802 1.00 0.66 C ATOM 2562 O LEU A 167 -9.542 8.650 -11.020 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.346 10.354 -8.347 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.587 11.314 -9.282 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.976 10.580 -10.465 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.511 12.423 -9.765 1.00 1.51 C ATOM 0 H LEU A 167 -10.166 9.614 -6.864 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.161 10.541 -9.474 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.567 10.883 -7.420 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.682 9.528 -8.092 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.770 11.756 -8.711 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.449 11.291 -11.102 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.275 9.827 -10.104 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.765 10.095 -11.039 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.961 13.094 -10.425 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.350 11.987 -10.308 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.885 12.983 -8.908 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.002 7.460 -9.188 1.00 0.61 N ATOM 2579 CA VAL A 168 -8.788 6.227 -9.907 1.00 0.69 C ATOM 2580 C VAL A 168 -10.097 5.725 -10.517 1.00 0.77 C ATOM 2581 O VAL A 168 -10.137 5.366 -11.691 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.192 5.147 -8.982 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.021 3.841 -9.728 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -6.865 5.611 -8.402 1.00 0.66 C ATOM 0 H VAL A 168 -8.836 7.394 -8.184 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.078 6.427 -10.710 1.00 0.69 H new ATOM 0 HB VAL A 168 -8.886 4.982 -8.158 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -7.599 3.092 -9.058 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -8.991 3.499 -10.090 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -7.350 3.990 -10.574 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.461 4.835 -7.752 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.163 5.808 -9.212 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.019 6.523 -7.825 1.00 0.66 H new ATOM 2594 N SER A 169 -11.173 5.721 -9.728 1.00 0.74 N ATOM 2595 CA SER A 169 -12.471 5.253 -10.213 1.00 0.87 C ATOM 2596 C SER A 169 -13.018 6.120 -11.360 1.00 0.96 C ATOM 2597 O SER A 169 -13.853 5.671 -12.145 1.00 1.12 O ATOM 2598 CB SER A 169 -13.483 5.211 -9.065 1.00 0.88 C ATOM 2599 OG SER A 169 -14.731 4.687 -9.498 1.00 1.35 O ATOM 0 H SER A 169 -11.171 6.034 -8.757 1.00 0.74 H new ATOM 0 HA SER A 169 -12.319 4.248 -10.607 1.00 0.87 H new ATOM 0 HB2 SER A 169 -13.091 4.599 -8.253 1.00 0.88 H new ATOM 0 HB3 SER A 169 -13.626 6.215 -8.666 1.00 0.88 H new ATOM 0 HG SER A 169 -14.582 4.047 -10.225 1.00 1.35 H new ATOM 2605 N GLU A 170 -12.567 7.361 -11.456 1.00 0.96 N ATOM 2606 CA GLU A 170 -13.043 8.245 -12.511 1.00 1.11 C ATOM 2607 C GLU A 170 -12.254 8.039 -13.802 1.00 1.17 C ATOM 2608 O GLU A 170 -12.745 8.325 -14.892 1.00 1.37 O ATOM 2609 CB GLU A 170 -12.963 9.704 -12.067 1.00 1.26 C ATOM 2610 CG GLU A 170 -13.870 10.032 -10.891 1.00 1.84 C ATOM 2611 CD GLU A 170 -15.335 9.784 -11.190 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -15.953 10.620 -11.881 1.00 2.56 O ATOM 2613 OE2 GLU A 170 -15.882 8.755 -10.734 1.00 2.73 O ATOM 0 H GLU A 170 -11.881 7.776 -10.826 1.00 0.96 H new ATOM 0 HA GLU A 170 -14.086 7.997 -12.708 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -11.933 9.937 -11.797 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -13.225 10.346 -12.908 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -13.573 9.432 -10.031 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -13.733 11.077 -10.613 1.00 1.84 H new ATOM 2620 N MET A 171 -11.034 7.535 -13.673 1.00 1.11 N ATOM 2621 CA MET A 171 -10.165 7.339 -14.828 1.00 1.28 C ATOM 2622 C MET A 171 -10.106 5.864 -15.235 1.00 1.54 C ATOM 2623 O MET A 171 -9.532 5.525 -16.271 1.00 1.88 O ATOM 2624 CB MET A 171 -8.758 7.872 -14.547 1.00 1.31 C ATOM 2625 CG MET A 171 -7.952 7.047 -13.556 1.00 1.43 C ATOM 2626 SD MET A 171 -6.316 7.745 -13.255 1.00 1.66 S ATOM 2627 CE MET A 171 -5.608 6.505 -12.172 1.00 1.68 C ATOM 0 H MET A 171 -10.623 7.255 -12.782 1.00 1.11 H new ATOM 0 HA MET A 171 -10.589 7.902 -15.659 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.209 7.923 -15.487 1.00 1.31 H new ATOM 0 HB3 MET A 171 -8.839 8.891 -14.169 1.00 1.31 H new ATOM 0 HG2 MET A 171 -8.496 6.982 -12.614 1.00 1.43 H new ATOM 0 HG3 MET A 171 -7.847 6.030 -13.934 1.00 1.43 H new ATOM 0 HE1 MET A 171 -5.379 6.954 -11.206 1.00 1.68 H new ATOM 0 HE2 MET A 171 -6.321 5.692 -12.034 1.00 1.68 H new ATOM 0 HE3 MET A 171 -4.693 6.113 -12.616 1.00 1.68 H new ATOM 2637 N GLU A 172 -10.702 5.007 -14.402 1.00 1.62 N ATOM 2638 CA GLU A 172 -10.625 3.544 -14.553 1.00 2.07 C ATOM 2639 C GLU A 172 -11.064 3.048 -15.936 1.00 2.05 C ATOM 2640 O GLU A 172 -10.846 1.880 -16.268 1.00 2.58 O ATOM 2641 CB GLU A 172 -11.484 2.856 -13.483 1.00 2.47 C ATOM 2642 CG GLU A 172 -12.972 3.150 -13.615 1.00 3.01 C ATOM 2643 CD GLU A 172 -13.832 2.341 -12.658 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -14.177 1.184 -12.998 1.00 4.04 O ATOM 2645 OE2 GLU A 172 -14.193 2.862 -11.578 1.00 4.27 O ATOM 0 H GLU A 172 -11.255 5.306 -13.599 1.00 1.62 H new ATOM 0 HA GLU A 172 -9.573 3.284 -14.433 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -11.328 1.779 -13.541 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -11.145 3.174 -12.497 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -13.143 4.212 -13.437 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -13.287 2.944 -14.638 1.00 3.01 H new ATOM 2652 N GLU A 173 -11.685 3.915 -16.730 1.00 1.85 N ATOM 2653 CA GLU A 173 -12.157 3.525 -18.049 1.00 2.28 C ATOM 2654 C GLU A 173 -10.989 3.102 -18.933 1.00 2.77 C ATOM 2655 O GLU A 173 -10.957 1.975 -19.429 1.00 3.47 O ATOM 2656 CB GLU A 173 -12.925 4.657 -18.729 1.00 2.50 C ATOM 2657 CG GLU A 173 -13.721 4.182 -19.932 1.00 2.86 C ATOM 2658 CD GLU A 173 -13.922 5.256 -20.978 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -14.186 6.417 -20.612 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -13.831 4.937 -22.182 1.00 3.82 O ATOM 0 H GLU A 173 -11.871 4.887 -16.482 1.00 1.85 H new ATOM 0 HA GLU A 173 -12.834 2.682 -17.913 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -13.602 5.116 -18.008 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -12.223 5.429 -19.044 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -13.209 3.334 -20.386 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -14.695 3.824 -19.597 1.00 2.86 H new ATOM 2667 N LEU A 174 -10.028 4.000 -19.126 1.00 2.83 N ATOM 2668 CA LEU A 174 -8.869 3.690 -19.953 1.00 3.69 C ATOM 2669 C LEU A 174 -7.607 3.728 -19.103 1.00 3.89 C ATOM 2670 O LEU A 174 -6.762 2.835 -19.170 1.00 4.73 O ATOM 2671 CB LEU A 174 -8.781 4.683 -21.126 1.00 4.31 C ATOM 2672 CG LEU A 174 -7.778 4.338 -22.236 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -8.160 5.042 -23.528 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -6.360 4.733 -21.843 1.00 5.72 C ATOM 0 H LEU A 174 -10.028 4.938 -18.726 1.00 2.83 H new ATOM 0 HA LEU A 174 -8.972 2.687 -20.367 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -9.771 4.771 -21.574 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -8.524 5.664 -20.725 1.00 4.31 H new ATOM 0 HG LEU A 174 -7.808 3.259 -22.385 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -7.441 4.789 -24.307 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -9.156 4.722 -23.836 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -8.158 6.120 -23.369 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -5.674 4.476 -22.650 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -6.319 5.807 -21.660 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -6.071 4.200 -20.937 1.00 5.72 H new ATOM 2686 N LYS A 175 -7.507 4.758 -18.280 1.00 3.42 N ATOM 2687 CA LYS A 175 -6.337 4.992 -17.455 1.00 3.88 C ATOM 2688 C LYS A 175 -6.330 4.094 -16.221 1.00 4.00 C ATOM 2689 O LYS A 175 -6.424 4.570 -15.091 1.00 4.36 O ATOM 2690 CB LYS A 175 -6.323 6.458 -17.047 1.00 4.27 C ATOM 2691 CG LYS A 175 -6.475 7.394 -18.227 1.00 4.29 C ATOM 2692 CD LYS A 175 -7.425 8.531 -17.910 1.00 4.24 C ATOM 2693 CE LYS A 175 -7.421 9.580 -19.007 1.00 4.99 C ATOM 2694 NZ LYS A 175 -8.234 10.766 -18.641 1.00 5.49 N ATOM 0 H LYS A 175 -8.240 5.458 -18.166 1.00 3.42 H new ATOM 0 HA LYS A 175 -5.442 4.751 -18.028 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -7.130 6.641 -16.337 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -5.388 6.679 -16.531 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -5.500 7.798 -18.501 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -6.844 6.839 -19.089 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -8.434 8.139 -17.783 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -7.141 8.991 -16.964 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -6.396 9.891 -19.209 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -7.809 9.144 -19.928 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -8.206 11.459 -19.416 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -9.218 10.474 -18.473 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -7.849 11.198 -17.777 1.00 5.49 H new ATOM 2708 N ALA A 176 -6.227 2.798 -16.447 1.00 4.26 N ATOM 2709 CA ALA A 176 -6.096 1.840 -15.363 1.00 4.89 C ATOM 2710 C ALA A 176 -4.667 1.316 -15.318 1.00 5.36 C ATOM 2711 O ALA A 176 -4.424 0.130 -15.090 1.00 5.78 O ATOM 2712 CB ALA A 176 -7.093 0.701 -15.531 1.00 5.48 C ATOM 0 H ALA A 176 -6.232 2.381 -17.378 1.00 4.26 H new ATOM 0 HA ALA A 176 -6.317 2.335 -14.417 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -6.979 -0.006 -14.709 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -8.107 1.101 -15.528 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -6.907 0.191 -16.477 1.00 5.48 H new ATOM 2718 N ASN A 177 -3.726 2.221 -15.550 1.00 5.66 N ATOM 2719 CA ASN A 177 -2.316 1.876 -15.632 1.00 6.40 C ATOM 2720 C ASN A 177 -1.463 3.057 -15.179 1.00 6.79 C ATOM 2721 O ASN A 177 -1.700 4.189 -15.600 1.00 6.94 O ATOM 2722 CB ASN A 177 -1.956 1.483 -17.071 1.00 6.79 C ATOM 2723 CG ASN A 177 -0.485 1.160 -17.248 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -0.058 0.025 -17.036 1.00 7.72 O ATOM 2725 ND2 ASN A 177 0.300 2.146 -17.656 1.00 7.88 N ATOM 0 H ASN A 177 -3.920 3.213 -15.686 1.00 5.66 H new ATOM 0 HA ASN A 177 -2.118 1.028 -14.976 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -2.550 0.617 -17.365 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -2.227 2.298 -17.743 1.00 6.79 H new ATOM 0 HD21 ASN A 177 1.295 1.977 -17.805 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -0.090 3.074 -17.821 1.00 7.88 H new ATOM 2732 N PRO A 178 -0.482 2.803 -14.299 1.00 7.29 N ATOM 2733 CA PRO A 178 0.434 3.837 -13.795 1.00 8.00 C ATOM 2734 C PRO A 178 1.186 4.553 -14.916 1.00 8.71 C ATOM 2735 O PRO A 178 0.793 5.687 -15.266 1.00 9.19 O ATOM 2736 CB PRO A 178 1.411 3.054 -12.909 1.00 8.54 C ATOM 2737 CG PRO A 178 0.674 1.817 -12.535 1.00 8.16 C ATOM 2738 CD PRO A 178 -0.189 1.485 -13.714 1.00 7.54 C ATOM 2739 OXT PRO A 178 2.163 3.983 -15.447 1.00 9.00 O ATOM 0 HA PRO A 178 -0.102 4.626 -13.267 1.00 8.00 H new ATOM 0 HB2 PRO A 178 2.331 2.820 -13.445 1.00 8.54 H new ATOM 0 HB3 PRO A 178 1.693 3.629 -12.027 1.00 8.54 H new ATOM 0 HG2 PRO A 178 1.364 1.003 -12.313 1.00 8.16 H new ATOM 0 HG3 PRO A 178 0.071 1.976 -11.641 1.00 8.16 H new ATOM 0 HD2 PRO A 178 0.328 0.837 -14.421 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -1.099 0.967 -13.413 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.683 -2.968 15.767 1.00 0.68 P HETATM 2749 O1B GDP A 179 -9.927 -2.786 14.963 1.00 1.61 O HETATM 2750 O2B GDP A 179 -7.429 -2.481 15.047 1.00 1.63 O HETATM 2751 O3B GDP A 179 -8.522 -4.343 16.433 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.848 -1.903 17.040 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.741 -0.623 17.190 1.00 0.75 P HETATM 2754 O1A GDP A 179 -10.342 -0.544 18.545 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.654 -0.403 16.007 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.632 0.535 17.073 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.463 0.505 17.890 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.903 1.897 18.076 1.00 0.66 C HETATM 2759 O4' GDP A 179 -6.361 2.367 16.820 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.907 2.973 18.481 1.00 0.75 C HETATM 2761 O3' GDP A 179 -7.832 3.237 19.878 1.00 0.96 O HETATM 2762 C2' GDP A 179 -7.527 4.216 17.672 1.00 0.75 C HETATM 2763 O2' GDP A 179 -7.190 5.303 18.510 1.00 0.95 O HETATM 2764 C1' GDP A 179 -6.283 3.768 16.906 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.191 4.323 15.562 1.00 0.55 N HETATM 2766 C8 GDP A 179 -6.832 3.868 14.438 1.00 0.62 C HETATM 2767 N7 GDP A 179 -6.579 4.580 13.373 1.00 0.61 N HETATM 2768 C5 GDP A 179 -5.709 5.568 13.822 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.086 6.635 13.123 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.193 6.945 11.927 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.278 7.405 13.957 1.00 0.37 N HETATM 2772 C2 GDP A 179 -4.104 7.170 15.304 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.299 8.024 15.963 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.680 6.181 15.966 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.463 5.422 15.172 1.00 0.46 C HETATM 0 HO3' GDP A 179 -8.535 3.871 20.129 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -7.120 4.992 19.437 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -3.133 7.900 16.962 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.855 8.795 15.464 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.703 0.072 18.861 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -3.782 8.195 13.543 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.488 2.998 14.434 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.710 -0.137 17.432 1.00 0.65 H new HETATM 0 H4' GDP A 179 -6.178 1.776 18.881 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.932 2.660 18.281 1.00 0.75 H new HETATM 0 H2' GDP A 179 -8.347 4.558 17.040 1.00 0.75 H new HETATM 0 H1' GDP A 179 -5.398 4.122 17.435 1.00 0.62 H new