USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 GLN : amide:sc= -16.3! C(o=-19!,f=-23!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -178:sc= 0.737! (180deg=0) USER MOD Set 1.3: A 117 SER OG : rot -70:sc= -3.67! USER MOD Set 2.1: A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 14:sc= 1.05 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -4.17 F(o=-6.4!,f=-4.2) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc=0.000862 X(o=0.00086,f=0) USER MOD Single : A 21 THR OG1 : rot 127:sc= -8.15! USER MOD Single : A 25 SER OG : rot 180:sc= -1.35 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 23:sc= -4.19! USER MOD Single : A 33 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.06) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.77! C(o=-2.8!,f=-16!) USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= -4.6! (180deg=-8.52!) USER MOD Single : A 44 GLN :FLIP amide:sc= -9.52! C(o=-15!,f=-9.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= -3.44! USER MOD Single : A 49 GLN : amide:sc= -4.76! C(o=-4.8!,f=-7.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 1.21 (180deg=1.03) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -167:sc= -1.6! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -5.93! USER MOD Single : A 75 SER OG : rot -98:sc= -0.213! USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= -2.89! (180deg=-4.23!) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.581) USER MOD Single : A 84 TYR OH : rot 130:sc= -6.79! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= -0.0759 (180deg=-0.551) USER MOD Single : A 96 MET CE :methyl -135:sc= -10.1! (180deg=-17.7!) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -0.14 F(o=-0.67,f=-0.14) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 109 THR OG1 : rot 96:sc= -2.56! USER MOD Single : A 111 SER OG : rot 83:sc= 1.01 USER MOD Single : A 112 THR OG1 : rot 91:sc= 1.06 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -1.17 F(o=-6.3!,f=-1.2) USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= -1.13 (180deg=-1.68) USER MOD Single : A 119 ASN :FLIP amide:sc= -2.19! C(o=-3.5!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 22 N CYS A 3 -6.115 -12.179 2.199 1.00 0.00 N ATOM 23 CA CYS A 3 -4.880 -12.800 1.753 1.00 0.00 C ATOM 24 C CYS A 3 -3.913 -12.853 2.937 1.00 0.00 C ATOM 25 O CYS A 3 -4.116 -12.170 3.939 1.00 0.00 O ATOM 26 CB CYS A 3 -4.276 -12.061 0.556 1.00 0.00 C ATOM 27 SG CYS A 3 -5.492 -11.210 -0.513 1.00 0.00 S ATOM 0 HA CYS A 3 -5.084 -13.813 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.560 -11.326 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.718 -12.775 -0.050 1.00 0.00 H new ATOM 32 N SER A 4 -2.882 -13.671 2.782 1.00 0.00 N ATOM 33 CA SER A 4 -1.883 -13.822 3.828 1.00 0.00 C ATOM 34 C SER A 4 -0.669 -12.943 3.521 1.00 0.00 C ATOM 35 O SER A 4 0.081 -13.219 2.586 1.00 0.00 O ATOM 36 CB SER A 4 -1.457 -15.284 3.975 1.00 0.00 C ATOM 37 OG SER A 4 -0.659 -15.720 2.878 1.00 0.00 O ATOM 0 H SER A 4 -2.716 -14.236 1.949 1.00 0.00 H new ATOM 0 HA SER A 4 -2.324 -13.504 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.897 -15.407 4.902 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.343 -15.914 4.052 1.00 0.00 H new ATOM 0 HG SER A 4 -0.359 -14.942 2.363 1.00 0.00 H new ATOM 43 N PRO A 5 -0.508 -11.875 4.348 1.00 0.00 N ATOM 44 CA PRO A 5 0.602 -10.955 4.175 1.00 0.00 C ATOM 45 C PRO A 5 1.911 -11.576 4.667 1.00 0.00 C ATOM 46 O PRO A 5 2.080 -11.813 5.862 1.00 0.00 O ATOM 47 CB PRO A 5 0.207 -9.711 4.953 1.00 0.00 C ATOM 48 CG PRO A 5 -0.890 -10.149 5.910 1.00 0.00 C ATOM 49 CD PRO A 5 -1.377 -11.518 5.465 1.00 0.00 C ATOM 0 HA PRO A 5 0.787 -10.713 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.059 -9.303 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.149 -8.928 4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.511 -10.192 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.711 -9.431 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.303 -12.246 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.423 -11.486 5.159 1.00 0.00 H new ATOM 57 N VAL A 6 2.804 -11.823 3.720 1.00 0.00 N ATOM 58 CA VAL A 6 4.093 -12.412 4.041 1.00 0.00 C ATOM 59 C VAL A 6 5.180 -11.742 3.198 1.00 0.00 C ATOM 60 O VAL A 6 5.240 -10.516 3.116 1.00 0.00 O ATOM 61 CB VAL A 6 4.037 -13.928 3.850 1.00 0.00 C ATOM 62 CG1 VAL A 6 3.894 -14.290 2.369 1.00 0.00 C ATOM 63 CG2 VAL A 6 5.265 -14.604 4.462 1.00 0.00 C ATOM 0 H VAL A 6 2.660 -11.626 2.730 1.00 0.00 H new ATOM 0 HA VAL A 6 4.342 -12.239 5.088 1.00 0.00 H new ATOM 0 HB VAL A 6 3.155 -14.298 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.857 -15.374 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.976 -13.854 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.748 -13.900 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.200 -15.682 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.167 -14.225 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.305 -14.388 5.530 1.00 0.00 H new ATOM 73 N HIS A 7 6.013 -12.577 2.593 1.00 0.00 N ATOM 74 CA HIS A 7 7.095 -12.081 1.759 1.00 0.00 C ATOM 75 C HIS A 7 7.711 -10.837 2.404 1.00 0.00 C ATOM 76 O HIS A 7 7.220 -9.726 2.213 1.00 0.00 O ATOM 77 CB HIS A 7 6.607 -11.827 0.331 1.00 0.00 C ATOM 78 CG HIS A 7 5.154 -11.430 0.240 1.00 0.00 C ATOM 79 ND1 HIS A 7 4.503 -10.318 0.689 1.00 0.00 N flip ATOM 80 CD2 HIS A 7 4.197 -12.221 -0.373 1.00 0.00 C flip ATOM 81 CE1 HIS A 7 3.219 -10.424 0.369 1.00 0.00 C flip ATOM 82 NE2 HIS A 7 3.027 -11.603 -0.290 1.00 0.00 N flip ATOM 0 H HIS A 7 5.960 -13.593 2.664 1.00 0.00 H new ATOM 0 HA HIS A 7 7.878 -12.836 1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.216 -11.041 -0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.765 -12.728 -0.261 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.374 -13.179 -0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.453 -9.697 0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.139 -11.948 -0.655 1.00 0.00 H new ATOM 90 N PRO A 8 8.807 -11.073 3.174 1.00 0.00 N ATOM 91 CA PRO A 8 9.496 -9.987 3.849 1.00 0.00 C ATOM 92 C PRO A 8 10.325 -9.166 2.859 1.00 0.00 C ATOM 93 O PRO A 8 10.645 -8.008 3.123 1.00 0.00 O ATOM 94 CB PRO A 8 10.341 -10.660 4.917 1.00 0.00 C ATOM 95 CG PRO A 8 10.454 -12.118 4.503 1.00 0.00 C ATOM 96 CD PRO A 8 9.417 -12.377 3.422 1.00 0.00 C ATOM 0 HA PRO A 8 8.811 -9.268 4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.325 -10.196 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.876 -10.568 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.456 -12.333 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.285 -12.772 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.878 -12.777 2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.675 -13.105 3.751 1.00 0.00 H new ATOM 104 N GLN A 9 10.651 -9.799 1.742 1.00 0.00 N ATOM 105 CA GLN A 9 11.437 -9.141 0.711 1.00 0.00 C ATOM 106 C GLN A 9 10.703 -9.192 -0.630 1.00 0.00 C ATOM 107 O GLN A 9 10.670 -8.203 -1.361 1.00 0.00 O ATOM 108 CB GLN A 9 12.828 -9.769 0.599 1.00 0.00 C ATOM 109 CG GLN A 9 13.541 -9.299 -0.670 1.00 0.00 C ATOM 110 CD GLN A 9 14.516 -8.161 -0.361 1.00 0.00 C ATOM 111 OE1 GLN A 9 15.505 -7.954 -1.045 1.00 0.00 O ATOM 112 NE2 GLN A 9 14.184 -7.438 0.705 1.00 0.00 N ATOM 0 H GLN A 9 10.386 -10.760 1.528 1.00 0.00 H new ATOM 0 HA GLN A 9 11.567 -8.096 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.422 -9.504 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.741 -10.855 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 9 14.080 -10.133 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.806 -8.964 -1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.342 -7.666 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.772 -6.656 0.994 1.00 0.00 H new ATOM 121 N GLN A 10 10.132 -10.354 -0.912 1.00 0.00 N ATOM 122 CA GLN A 10 9.400 -10.546 -2.153 1.00 0.00 C ATOM 123 C GLN A 10 8.308 -9.484 -2.296 1.00 0.00 C ATOM 124 O GLN A 10 7.699 -9.353 -3.356 1.00 0.00 O ATOM 125 CB GLN A 10 8.809 -11.954 -2.228 1.00 0.00 C ATOM 126 CG GLN A 10 9.769 -12.985 -1.630 1.00 0.00 C ATOM 127 CD GLN A 10 9.523 -14.373 -2.224 1.00 0.00 C ATOM 128 OE1 GLN A 10 10.295 -14.883 -3.018 1.00 0.00 O ATOM 129 NE2 GLN A 10 8.405 -14.954 -1.796 1.00 0.00 N ATOM 0 H GLN A 10 10.161 -11.172 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 10 10.097 -10.435 -2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.860 -11.983 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.597 -12.208 -3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.799 -12.682 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.642 -13.021 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.802 -14.471 -1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.151 -15.882 -2.134 1.00 0.00 H new ATOM 138 N ALA A 11 8.093 -8.753 -1.211 1.00 0.00 N ATOM 139 CA ALA A 11 7.085 -7.707 -1.201 1.00 0.00 C ATOM 140 C ALA A 11 7.684 -6.421 -1.776 1.00 0.00 C ATOM 141 O ALA A 11 7.003 -5.675 -2.477 1.00 0.00 O ATOM 142 CB ALA A 11 6.558 -7.518 0.223 1.00 0.00 C ATOM 0 H ALA A 11 8.600 -8.865 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 11 6.238 -7.986 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.802 -6.733 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.116 -8.451 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.380 -7.236 0.881 1.00 0.00 H new ATOM 148 N PHE A 12 8.952 -6.204 -1.459 1.00 0.00 N ATOM 149 CA PHE A 12 9.650 -5.022 -1.935 1.00 0.00 C ATOM 150 C PHE A 12 10.301 -5.281 -3.296 1.00 0.00 C ATOM 151 O PHE A 12 10.951 -4.398 -3.855 1.00 0.00 O ATOM 152 CB PHE A 12 10.743 -4.706 -0.912 1.00 0.00 C ATOM 153 CG PHE A 12 10.208 -4.273 0.455 1.00 0.00 C ATOM 154 CD1 PHE A 12 9.252 -5.014 1.076 1.00 0.00 C ATOM 155 CD2 PHE A 12 10.690 -3.148 1.049 1.00 0.00 C ATOM 156 CE1 PHE A 12 8.755 -4.612 2.346 1.00 0.00 C ATOM 157 CE2 PHE A 12 10.194 -2.747 2.317 1.00 0.00 C ATOM 158 CZ PHE A 12 9.237 -3.488 2.938 1.00 0.00 C ATOM 0 H PHE A 12 9.514 -6.827 -0.878 1.00 0.00 H new ATOM 0 HA PHE A 12 8.948 -4.196 -2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.371 -5.587 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.380 -3.916 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.870 -5.908 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.450 -2.560 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.995 -5.200 2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.576 -1.854 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.860 -3.182 3.903 1.00 0.00 H new ATOM 168 N CYS A 13 10.106 -6.495 -3.788 1.00 0.00 N ATOM 169 CA CYS A 13 10.666 -6.881 -5.072 1.00 0.00 C ATOM 170 C CYS A 13 9.519 -7.011 -6.076 1.00 0.00 C ATOM 171 O CYS A 13 9.749 -7.055 -7.284 1.00 0.00 O ATOM 172 CB CYS A 13 11.482 -8.172 -4.968 1.00 0.00 C ATOM 173 SG CYS A 13 13.202 -7.946 -4.385 1.00 0.00 S ATOM 0 H CYS A 13 9.568 -7.225 -3.321 1.00 0.00 H new ATOM 0 HA CYS A 13 11.362 -6.115 -5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.970 -8.855 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 13 11.505 -8.651 -5.947 1.00 0.00 H new ATOM 0 HG CYS A 13 13.798 -9.100 -4.333 1.00 0.00 H new ATOM 178 N ASN A 14 8.308 -7.069 -5.540 1.00 0.00 N ATOM 179 CA ASN A 14 7.126 -7.192 -6.376 1.00 0.00 C ATOM 180 C ASN A 14 6.510 -5.808 -6.588 1.00 0.00 C ATOM 181 O ASN A 14 6.011 -5.507 -7.672 1.00 0.00 O ATOM 182 CB ASN A 14 6.073 -8.080 -5.710 1.00 0.00 C ATOM 183 CG ASN A 14 5.753 -9.297 -6.582 1.00 0.00 C ATOM 184 OD1 ASN A 14 5.067 -9.210 -7.587 1.00 0.00 O ATOM 185 ND2 ASN A 14 6.285 -10.433 -6.141 1.00 0.00 N ATOM 0 H ASN A 14 8.120 -7.033 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 14 7.428 -7.637 -7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.434 -8.410 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.164 -7.504 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.128 -11.302 -6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.850 -10.436 -5.292 1.00 0.00 H new ATOM 192 N ALA A 15 6.565 -5.002 -5.538 1.00 0.00 N ATOM 193 CA ALA A 15 6.020 -3.658 -5.596 1.00 0.00 C ATOM 194 C ALA A 15 6.650 -2.906 -6.771 1.00 0.00 C ATOM 195 O ALA A 15 7.556 -3.419 -7.426 1.00 0.00 O ATOM 196 CB ALA A 15 6.255 -2.952 -4.259 1.00 0.00 C ATOM 0 H ALA A 15 6.980 -5.255 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 15 4.943 -3.689 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.845 -1.943 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.762 -3.509 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.325 -2.901 -4.058 1.00 0.00 H new ATOM 202 N ASP A 16 6.145 -1.704 -7.002 1.00 0.00 N ATOM 203 CA ASP A 16 6.647 -0.876 -8.086 1.00 0.00 C ATOM 204 C ASP A 16 6.349 0.593 -7.782 1.00 0.00 C ATOM 205 O ASP A 16 6.379 1.435 -8.678 1.00 0.00 O ATOM 206 CB ASP A 16 5.968 -1.232 -9.409 1.00 0.00 C ATOM 207 CG ASP A 16 6.698 -2.283 -10.249 1.00 0.00 C ATOM 208 OD1 ASP A 16 7.813 -1.963 -10.714 1.00 0.00 O ATOM 209 OD2 ASP A 16 6.124 -3.382 -10.407 1.00 0.00 O ATOM 0 H ASP A 16 5.393 -1.283 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 16 7.720 -1.048 -8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.961 -1.593 -9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.863 -0.324 -10.002 1.00 0.00 H new ATOM 214 N VAL A 17 6.067 0.855 -6.514 1.00 0.00 N ATOM 215 CA VAL A 17 5.763 2.209 -6.080 1.00 0.00 C ATOM 216 C VAL A 17 5.824 2.277 -4.553 1.00 0.00 C ATOM 217 O VAL A 17 4.791 2.266 -3.886 1.00 0.00 O ATOM 218 CB VAL A 17 4.409 2.648 -6.644 1.00 0.00 C ATOM 219 CG1 VAL A 17 3.275 1.795 -6.073 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.163 4.135 -6.383 1.00 0.00 C ATOM 0 H VAL A 17 6.043 0.154 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 17 6.504 2.909 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 17 4.430 2.497 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.324 2.128 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.440 0.749 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.252 1.899 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.195 4.421 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.172 4.322 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.947 4.723 -6.860 1.00 0.00 H new ATOM 230 N VAL A 18 7.045 2.343 -4.044 1.00 0.00 N ATOM 231 CA VAL A 18 7.255 2.412 -2.608 1.00 0.00 C ATOM 232 C VAL A 18 7.369 3.878 -2.183 1.00 0.00 C ATOM 233 O VAL A 18 8.276 4.585 -2.617 1.00 0.00 O ATOM 234 CB VAL A 18 8.478 1.580 -2.217 1.00 0.00 C ATOM 235 CG1 VAL A 18 8.275 0.914 -0.855 1.00 0.00 C ATOM 236 CG2 VAL A 18 8.802 0.541 -3.293 1.00 0.00 C ATOM 0 H VAL A 18 7.900 2.350 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 18 6.404 1.985 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 18 9.330 2.255 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.159 0.329 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.116 1.680 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.405 0.258 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.675 -0.037 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.951 -0.128 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.011 1.047 -4.236 1.00 0.00 H new ATOM 246 N ILE A 19 6.434 4.290 -1.338 1.00 0.00 N ATOM 247 CA ILE A 19 6.417 5.658 -0.850 1.00 0.00 C ATOM 248 C ILE A 19 5.932 5.671 0.600 1.00 0.00 C ATOM 249 O ILE A 19 4.852 5.165 0.903 1.00 0.00 O ATOM 250 CB ILE A 19 5.595 6.549 -1.783 1.00 0.00 C ATOM 251 CG1 ILE A 19 4.099 6.268 -1.631 1.00 0.00 C ATOM 252 CG2 ILE A 19 6.062 6.406 -3.232 1.00 0.00 C ATOM 253 CD1 ILE A 19 3.347 6.588 -2.925 1.00 0.00 C ATOM 0 H ILE A 19 5.683 3.700 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 19 7.423 6.077 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 19 5.758 7.588 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.947 5.221 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.694 6.865 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.461 7.050 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.110 6.696 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.949 5.370 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.286 6.380 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.481 7.641 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.738 5.972 -3.735 1.00 0.00 H new ATOM 265 N ARG A 20 6.754 6.255 1.461 1.00 0.00 N ATOM 266 CA ARG A 20 6.422 6.340 2.872 1.00 0.00 C ATOM 267 C ARG A 20 5.381 7.437 3.107 1.00 0.00 C ATOM 268 O ARG A 20 5.475 8.189 4.077 1.00 0.00 O ATOM 269 CB ARG A 20 7.665 6.637 3.714 1.00 0.00 C ATOM 270 CG ARG A 20 7.386 6.416 5.201 1.00 0.00 C ATOM 271 CD ARG A 20 8.583 6.845 6.054 1.00 0.00 C ATOM 272 NE ARG A 20 8.992 8.221 5.696 1.00 0.00 N ATOM 273 CZ ARG A 20 9.353 9.153 6.588 1.00 0.00 C ATOM 274 NH1 ARG A 20 9.357 8.863 7.896 1.00 0.00 N ATOM 275 NH2 ARG A 20 9.711 10.376 6.172 1.00 0.00 N ATOM 0 H ARG A 20 7.649 6.674 1.207 1.00 0.00 H new ATOM 0 HA ARG A 20 6.014 5.376 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.486 5.995 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.983 7.667 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.503 6.982 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.165 5.364 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.322 6.798 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.415 6.158 5.900 1.00 0.00 H new ATOM 0 HE ARG A 20 9.000 8.476 4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.085 7.932 8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.632 9.573 8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.709 10.597 5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.986 11.086 6.851 1.00 0.00 H new ATOM 289 N THR A 21 4.414 7.495 2.203 1.00 0.00 N ATOM 290 CA THR A 21 3.357 8.487 2.300 1.00 0.00 C ATOM 291 C THR A 21 2.573 8.307 3.602 1.00 0.00 C ATOM 292 O THR A 21 2.767 7.324 4.316 1.00 0.00 O ATOM 293 CB THR A 21 2.488 8.376 1.046 1.00 0.00 C ATOM 294 OG1 THR A 21 1.364 9.205 1.328 1.00 0.00 O ATOM 295 CG2 THR A 21 1.886 6.980 0.874 1.00 0.00 C ATOM 0 H THR A 21 4.340 6.871 1.400 1.00 0.00 H new ATOM 0 HA THR A 21 3.765 9.497 2.341 1.00 0.00 H new ATOM 0 HB THR A 21 3.084 8.626 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.243 9.851 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.278 6.955 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.687 6.246 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.263 6.744 1.736 1.00 0.00 H new ATOM 303 N LYS A 22 1.705 9.270 3.871 1.00 0.00 N ATOM 304 CA LYS A 22 0.891 9.231 5.074 1.00 0.00 C ATOM 305 C LYS A 22 -0.586 9.326 4.688 1.00 0.00 C ATOM 306 O LYS A 22 -1.016 10.317 4.099 1.00 0.00 O ATOM 307 CB LYS A 22 1.340 10.311 6.061 1.00 0.00 C ATOM 308 CG LYS A 22 1.074 11.709 5.500 1.00 0.00 C ATOM 309 CD LYS A 22 1.243 12.775 6.585 1.00 0.00 C ATOM 310 CE LYS A 22 0.540 12.358 7.879 1.00 0.00 C ATOM 311 NZ LYS A 22 0.306 13.536 8.743 1.00 0.00 N ATOM 0 H LYS A 22 1.547 10.083 3.276 1.00 0.00 H new ATOM 0 HA LYS A 22 1.025 8.282 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.811 10.188 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.403 10.196 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.759 11.911 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.064 11.756 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.303 12.936 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.835 13.723 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.410 11.876 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.147 11.625 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.002 13.220 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.186 14.084 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.435 14.133 8.323 1.00 0.00 H new ATOM 325 N ALA A 23 -1.324 8.281 5.035 1.00 0.00 N ATOM 326 CA ALA A 23 -2.744 8.233 4.732 1.00 0.00 C ATOM 327 C ALA A 23 -3.535 8.756 5.935 1.00 0.00 C ATOM 328 O ALA A 23 -3.654 8.071 6.948 1.00 0.00 O ATOM 329 CB ALA A 23 -3.139 6.806 4.352 1.00 0.00 C ATOM 0 H ALA A 23 -0.964 7.461 5.523 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.976 8.872 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.205 6.772 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.571 6.492 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.923 6.135 5.184 1.00 0.00 H new ATOM 335 N VAL A 24 -4.055 9.964 5.779 1.00 0.00 N ATOM 336 CA VAL A 24 -4.831 10.587 6.839 1.00 0.00 C ATOM 337 C VAL A 24 -6.298 10.658 6.415 1.00 0.00 C ATOM 338 O VAL A 24 -7.196 10.485 7.239 1.00 0.00 O ATOM 339 CB VAL A 24 -4.240 11.955 7.186 1.00 0.00 C ATOM 340 CG1 VAL A 24 -2.990 11.809 8.055 1.00 0.00 C ATOM 341 CG2 VAL A 24 -3.937 12.758 5.919 1.00 0.00 C ATOM 0 H VAL A 24 -3.955 10.528 4.935 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.785 9.989 7.749 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.984 12.505 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.591 12.796 8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.249 11.296 8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.239 11.231 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.518 13.726 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.220 12.213 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.857 12.908 5.354 1.00 0.00 H new ATOM 351 N SER A 25 -6.499 10.915 5.131 1.00 0.00 N ATOM 352 CA SER A 25 -7.843 11.013 4.588 1.00 0.00 C ATOM 353 C SER A 25 -8.107 9.848 3.632 1.00 0.00 C ATOM 354 O SER A 25 -7.173 9.183 3.184 1.00 0.00 O ATOM 355 CB SER A 25 -8.051 12.347 3.869 1.00 0.00 C ATOM 356 OG SER A 25 -9.038 12.254 2.845 1.00 0.00 O ATOM 0 H SER A 25 -5.753 11.058 4.450 1.00 0.00 H new ATOM 0 HA SER A 25 -8.551 10.963 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.350 13.106 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.107 12.675 3.434 1.00 0.00 H new ATOM 0 HG SER A 25 -9.142 13.126 2.411 1.00 0.00 H new ATOM 362 N GLU A 26 -9.383 9.636 3.346 1.00 0.00 N ATOM 363 CA GLU A 26 -9.781 8.563 2.450 1.00 0.00 C ATOM 364 C GLU A 26 -11.044 8.954 1.682 1.00 0.00 C ATOM 365 O GLU A 26 -11.537 10.073 1.818 1.00 0.00 O ATOM 366 CB GLU A 26 -9.989 7.257 3.219 1.00 0.00 C ATOM 367 CG GLU A 26 -8.648 6.626 3.600 1.00 0.00 C ATOM 368 CD GLU A 26 -8.383 6.767 5.101 1.00 0.00 C ATOM 369 OE1 GLU A 26 -7.896 7.849 5.491 1.00 0.00 O ATOM 370 OE2 GLU A 26 -8.672 5.789 5.822 1.00 0.00 O ATOM 0 H GLU A 26 -10.155 10.189 3.719 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.979 8.399 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.573 7.450 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.563 6.559 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.647 5.571 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.845 7.103 3.039 1.00 0.00 H new ATOM 377 N LYS A 27 -11.533 8.011 0.889 1.00 0.00 N ATOM 378 CA LYS A 27 -12.729 8.243 0.099 1.00 0.00 C ATOM 379 C LYS A 27 -13.444 6.912 -0.139 1.00 0.00 C ATOM 380 O LYS A 27 -12.910 6.026 -0.806 1.00 0.00 O ATOM 381 CB LYS A 27 -12.384 8.995 -1.188 1.00 0.00 C ATOM 382 CG LYS A 27 -13.638 9.253 -2.025 1.00 0.00 C ATOM 383 CD LYS A 27 -13.469 10.501 -2.896 1.00 0.00 C ATOM 384 CE LYS A 27 -12.034 10.617 -3.413 1.00 0.00 C ATOM 385 NZ LYS A 27 -11.949 11.643 -4.476 1.00 0.00 N ATOM 0 H LYS A 27 -11.122 7.084 0.777 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.424 8.886 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.905 9.943 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.666 8.417 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.842 8.389 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.499 9.377 -1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.160 10.458 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.724 11.389 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.365 10.878 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.702 9.654 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.969 11.710 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.572 11.378 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.246 12.564 -4.094 1.00 0.00 H new ATOM 399 N GLU A 28 -14.642 6.811 0.418 1.00 0.00 N ATOM 400 CA GLU A 28 -15.435 5.602 0.274 1.00 0.00 C ATOM 401 C GLU A 28 -16.034 5.525 -1.131 1.00 0.00 C ATOM 402 O GLU A 28 -17.116 6.057 -1.380 1.00 0.00 O ATOM 403 CB GLU A 28 -16.529 5.533 1.341 1.00 0.00 C ATOM 404 CG GLU A 28 -17.482 4.366 1.076 1.00 0.00 C ATOM 405 CD GLU A 28 -18.895 4.691 1.562 1.00 0.00 C ATOM 406 OE1 GLU A 28 -19.051 4.848 2.792 1.00 0.00 O ATOM 407 OE2 GLU A 28 -19.790 4.775 0.692 1.00 0.00 O ATOM 0 H GLU A 28 -15.083 7.547 0.970 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.780 4.742 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.075 5.420 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.089 6.468 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.503 4.144 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -17.117 3.472 1.581 1.00 0.00 H new ATOM 414 N VAL A 29 -15.305 4.858 -2.015 1.00 0.00 N ATOM 415 CA VAL A 29 -15.751 4.704 -3.389 1.00 0.00 C ATOM 416 C VAL A 29 -16.382 3.322 -3.564 1.00 0.00 C ATOM 417 O VAL A 29 -15.683 2.345 -3.830 1.00 0.00 O ATOM 418 CB VAL A 29 -14.587 4.957 -4.349 1.00 0.00 C ATOM 419 CG1 VAL A 29 -14.254 6.448 -4.427 1.00 0.00 C ATOM 420 CG2 VAL A 29 -13.358 4.140 -3.945 1.00 0.00 C ATOM 0 H VAL A 29 -14.409 4.418 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.516 5.443 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.894 4.631 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.423 6.600 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.126 6.997 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.976 6.811 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.544 4.337 -4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.049 4.421 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.604 3.078 -3.966 1.00 0.00 H new ATOM 430 N ASP A 30 -17.697 3.281 -3.409 1.00 0.00 N ATOM 431 CA ASP A 30 -18.430 2.035 -3.547 1.00 0.00 C ATOM 432 C ASP A 30 -17.940 1.295 -4.794 1.00 0.00 C ATOM 433 O ASP A 30 -17.618 1.920 -5.803 1.00 0.00 O ATOM 434 CB ASP A 30 -19.929 2.291 -3.708 1.00 0.00 C ATOM 435 CG ASP A 30 -20.492 3.412 -2.831 1.00 0.00 C ATOM 436 OD1 ASP A 30 -20.427 4.575 -3.286 1.00 0.00 O ATOM 437 OD2 ASP A 30 -20.973 3.081 -1.727 1.00 0.00 O ATOM 0 H ASP A 30 -18.274 4.092 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.261 1.444 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.131 2.531 -4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.466 1.370 -3.483 1.00 0.00 H new ATOM 442 N SER A 31 -17.899 -0.024 -4.683 1.00 0.00 N ATOM 443 CA SER A 31 -17.455 -0.855 -5.789 1.00 0.00 C ATOM 444 C SER A 31 -18.455 -1.987 -6.029 1.00 0.00 C ATOM 445 O SER A 31 -18.133 -2.978 -6.683 1.00 0.00 O ATOM 446 CB SER A 31 -16.061 -1.426 -5.523 1.00 0.00 C ATOM 447 OG SER A 31 -15.875 -2.693 -6.147 1.00 0.00 O ATOM 0 H SER A 31 -18.166 -0.538 -3.844 1.00 0.00 H new ATOM 0 HA SER A 31 -17.400 -0.233 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.308 -0.728 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.909 -1.525 -4.448 1.00 0.00 H new ATOM 0 HG SER A 31 -16.505 -2.787 -6.891 1.00 0.00 H new ATOM 453 N GLY A 32 -19.650 -1.804 -5.484 1.00 0.00 N ATOM 454 CA GLY A 32 -20.699 -2.798 -5.630 1.00 0.00 C ATOM 455 C GLY A 32 -20.353 -4.077 -4.866 1.00 0.00 C ATOM 456 O GLY A 32 -19.354 -4.126 -4.150 1.00 0.00 O ATOM 0 H GLY A 32 -19.914 -0.982 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.642 -2.394 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.842 -3.028 -6.686 1.00 0.00 H new ATOM 460 N ASN A 33 -21.198 -5.082 -5.045 1.00 0.00 N ATOM 461 CA ASN A 33 -20.993 -6.359 -4.382 1.00 0.00 C ATOM 462 C ASN A 33 -20.033 -7.212 -5.212 1.00 0.00 C ATOM 463 O ASN A 33 -19.768 -6.905 -6.373 1.00 0.00 O ATOM 464 CB ASN A 33 -22.310 -7.126 -4.245 1.00 0.00 C ATOM 465 CG ASN A 33 -23.459 -6.183 -3.880 1.00 0.00 C ATOM 466 OD1 ASN A 33 -24.364 -5.935 -4.661 1.00 0.00 O ATOM 467 ND2 ASN A 33 -23.372 -5.672 -2.655 1.00 0.00 N ATOM 0 H ASN A 33 -22.026 -5.038 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 33 -20.585 -6.162 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -22.537 -7.636 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -22.209 -7.895 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -24.090 -5.030 -2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -22.588 -5.922 -2.053 1.00 0.00 H new ATOM 474 N ASP A 34 -19.537 -8.268 -4.585 1.00 0.00 N ATOM 475 CA ASP A 34 -18.611 -9.169 -5.251 1.00 0.00 C ATOM 476 C ASP A 34 -19.387 -10.354 -5.831 1.00 0.00 C ATOM 477 O ASP A 34 -20.603 -10.280 -6.000 1.00 0.00 O ATOM 478 CB ASP A 34 -17.574 -9.718 -4.269 1.00 0.00 C ATOM 479 CG ASP A 34 -16.209 -10.037 -4.882 1.00 0.00 C ATOM 480 OD1 ASP A 34 -15.882 -9.397 -5.904 1.00 0.00 O ATOM 481 OD2 ASP A 34 -15.523 -10.914 -4.314 1.00 0.00 O ATOM 0 H ASP A 34 -19.759 -8.520 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.103 -8.610 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.435 -8.993 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.972 -10.625 -3.813 1.00 0.00 H new ATOM 486 N ILE A 35 -18.653 -11.418 -6.119 1.00 0.00 N ATOM 487 CA ILE A 35 -19.255 -12.615 -6.676 1.00 0.00 C ATOM 488 C ILE A 35 -19.879 -13.440 -5.548 1.00 0.00 C ATOM 489 O ILE A 35 -20.427 -14.513 -5.789 1.00 0.00 O ATOM 490 CB ILE A 35 -18.236 -13.390 -7.513 1.00 0.00 C ATOM 491 CG1 ILE A 35 -17.633 -12.502 -8.604 1.00 0.00 C ATOM 492 CG2 ILE A 35 -18.854 -14.666 -8.089 1.00 0.00 C ATOM 493 CD1 ILE A 35 -16.689 -11.458 -8.001 1.00 0.00 C ATOM 0 H ILE A 35 -17.645 -11.475 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 35 -20.060 -12.351 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.420 -13.696 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.090 -13.118 -9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.431 -12.002 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.108 -15.197 -8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -19.194 -15.305 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -19.701 -14.406 -8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.274 -10.840 -8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.241 -10.828 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.879 -11.962 -7.473 1.00 0.00 H new ATOM 505 N TYR A 36 -19.772 -12.906 -4.339 1.00 0.00 N ATOM 506 CA TYR A 36 -20.318 -13.579 -3.173 1.00 0.00 C ATOM 507 C TYR A 36 -21.551 -12.844 -2.643 1.00 0.00 C ATOM 508 O TYR A 36 -22.168 -13.280 -1.673 1.00 0.00 O ATOM 509 CB TYR A 36 -19.218 -13.539 -2.110 1.00 0.00 C ATOM 510 CG TYR A 36 -19.232 -14.735 -1.155 1.00 0.00 C ATOM 511 CD1 TYR A 36 -19.026 -16.009 -1.643 1.00 0.00 C ATOM 512 CD2 TYR A 36 -19.452 -14.538 0.193 1.00 0.00 C ATOM 513 CE1 TYR A 36 -19.039 -17.134 -0.744 1.00 0.00 C ATOM 514 CE2 TYR A 36 -19.464 -15.664 1.091 1.00 0.00 C ATOM 515 CZ TYR A 36 -19.258 -16.905 0.578 1.00 0.00 C ATOM 516 OH TYR A 36 -19.270 -17.969 1.427 1.00 0.00 O ATOM 0 H TYR A 36 -19.315 -12.015 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.621 -14.596 -3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -18.249 -13.495 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -19.321 -12.622 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -18.855 -16.162 -2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -19.615 -13.541 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -18.878 -18.137 -1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -19.633 -15.525 2.149 1.00 0.00 H new ATOM 0 HH TYR A 36 -19.437 -17.657 2.341 1.00 0.00 H new ATOM 526 N GLY A 37 -21.871 -11.740 -3.302 1.00 0.00 N ATOM 527 CA GLY A 37 -23.019 -10.940 -2.910 1.00 0.00 C ATOM 528 C GLY A 37 -22.626 -9.897 -1.860 1.00 0.00 C ATOM 529 O GLY A 37 -23.421 -9.020 -1.525 1.00 0.00 O ATOM 0 H GLY A 37 -21.355 -11.381 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -23.436 -10.442 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.799 -11.588 -2.510 1.00 0.00 H new ATOM 533 N ASN A 38 -21.403 -10.028 -1.372 1.00 0.00 N ATOM 534 CA ASN A 38 -20.896 -9.108 -0.368 1.00 0.00 C ATOM 535 C ASN A 38 -20.491 -7.795 -1.043 1.00 0.00 C ATOM 536 O ASN A 38 -20.153 -7.780 -2.226 1.00 0.00 O ATOM 537 CB ASN A 38 -19.661 -9.681 0.330 1.00 0.00 C ATOM 538 CG ASN A 38 -18.679 -10.269 -0.685 1.00 0.00 C ATOM 539 OD1 ASN A 38 -19.002 -10.494 -1.840 1.00 0.00 O ATOM 540 ND2 ASN A 38 -17.467 -10.503 -0.193 1.00 0.00 N ATOM 0 H ASN A 38 -20.747 -10.757 -1.653 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.683 -8.945 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.168 -8.897 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.964 -10.453 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.740 -10.894 -0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.264 -10.291 0.784 1.00 0.00 H new ATOM 547 N PRO A 39 -20.539 -6.698 -0.241 1.00 0.00 N ATOM 548 CA PRO A 39 -20.181 -5.384 -0.748 1.00 0.00 C ATOM 549 C PRO A 39 -18.666 -5.249 -0.901 1.00 0.00 C ATOM 550 O PRO A 39 -17.916 -5.544 0.029 1.00 0.00 O ATOM 551 CB PRO A 39 -20.768 -4.403 0.254 1.00 0.00 C ATOM 552 CG PRO A 39 -21.026 -5.204 1.519 1.00 0.00 C ATOM 553 CD PRO A 39 -20.934 -6.679 1.165 1.00 0.00 C ATOM 0 HA PRO A 39 -20.575 -5.196 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.078 -3.581 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -21.691 -3.963 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.296 -4.950 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -22.010 -4.970 1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -20.202 -7.191 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -21.889 -7.183 1.315 1.00 0.00 H new ATOM 561 N ILE A 40 -18.259 -4.804 -2.080 1.00 0.00 N ATOM 562 CA ILE A 40 -16.845 -4.626 -2.367 1.00 0.00 C ATOM 563 C ILE A 40 -16.320 -3.417 -1.591 1.00 0.00 C ATOM 564 O ILE A 40 -15.765 -3.565 -0.504 1.00 0.00 O ATOM 565 CB ILE A 40 -16.611 -4.538 -3.876 1.00 0.00 C ATOM 566 CG1 ILE A 40 -17.061 -5.821 -4.576 1.00 0.00 C ATOM 567 CG2 ILE A 40 -15.152 -4.197 -4.186 1.00 0.00 C ATOM 568 CD1 ILE A 40 -16.744 -5.770 -6.072 1.00 0.00 C ATOM 0 H ILE A 40 -18.884 -4.561 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 40 -16.276 -5.493 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 40 -17.222 -3.725 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -16.564 -6.679 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -18.132 -5.961 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -15.013 -4.141 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -14.900 -3.236 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.503 -4.971 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.074 -6.694 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.262 -4.925 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.669 -5.654 -6.212 1.00 0.00 H new ATOM 580 N LYS A 41 -16.515 -2.246 -2.181 1.00 0.00 N ATOM 581 CA LYS A 41 -16.068 -1.012 -1.558 1.00 0.00 C ATOM 582 C LYS A 41 -14.540 -0.956 -1.585 1.00 0.00 C ATOM 583 O LYS A 41 -13.873 -1.867 -1.098 1.00 0.00 O ATOM 584 CB LYS A 41 -16.664 -0.872 -0.156 1.00 0.00 C ATOM 585 CG LYS A 41 -16.334 0.495 0.447 1.00 0.00 C ATOM 586 CD LYS A 41 -16.852 1.626 -0.443 1.00 0.00 C ATOM 587 CE LYS A 41 -18.355 1.832 -0.249 1.00 0.00 C ATOM 588 NZ LYS A 41 -19.108 0.657 -0.744 1.00 0.00 N ATOM 0 H LYS A 41 -16.976 -2.126 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.429 -0.150 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.745 -1.001 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.276 -1.661 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.778 0.576 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.255 0.591 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.322 2.549 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.645 1.395 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.573 1.992 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.677 2.728 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.000 0.973 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.539 0.154 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.315 0.018 0.050 1.00 0.00 H new ATOM 602 N ARG A 42 -14.029 0.124 -2.160 1.00 0.00 N ATOM 603 CA ARG A 42 -12.591 0.310 -2.257 1.00 0.00 C ATOM 604 C ARG A 42 -12.201 1.702 -1.756 1.00 0.00 C ATOM 605 O ARG A 42 -11.798 2.558 -2.540 1.00 0.00 O ATOM 606 CB ARG A 42 -12.110 0.142 -3.700 1.00 0.00 C ATOM 607 CG ARG A 42 -13.270 0.294 -4.686 1.00 0.00 C ATOM 608 CD ARG A 42 -12.826 -0.039 -6.111 1.00 0.00 C ATOM 609 NE ARG A 42 -13.790 0.518 -7.086 1.00 0.00 N ATOM 610 CZ ARG A 42 -13.940 0.064 -8.337 1.00 0.00 C ATOM 611 NH1 ARG A 42 -13.191 -0.957 -8.774 1.00 0.00 N ATOM 612 NH2 ARG A 42 -14.841 0.630 -9.152 1.00 0.00 N ATOM 0 H ARG A 42 -14.585 0.878 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.116 -0.450 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.342 0.883 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.650 -0.839 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.089 -0.363 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.652 1.314 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.833 0.370 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.754 -1.120 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.377 1.297 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.506 -1.389 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.306 -1.302 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.413 1.407 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.955 0.284 -10.105 1.00 0.00 H new ATOM 626 N ILE A 43 -12.335 1.884 -0.450 1.00 0.00 N ATOM 627 CA ILE A 43 -12.003 3.157 0.166 1.00 0.00 C ATOM 628 C ILE A 43 -10.691 3.677 -0.426 1.00 0.00 C ATOM 629 O ILE A 43 -9.801 2.895 -0.755 1.00 0.00 O ATOM 630 CB ILE A 43 -11.980 3.025 1.690 1.00 0.00 C ATOM 631 CG1 ILE A 43 -13.226 3.657 2.314 1.00 0.00 C ATOM 632 CG2 ILE A 43 -10.689 3.607 2.272 1.00 0.00 C ATOM 633 CD1 ILE A 43 -14.447 2.754 2.133 1.00 0.00 C ATOM 0 H ILE A 43 -12.669 1.171 0.198 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.770 3.899 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.997 1.964 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.055 3.835 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.415 4.627 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.698 3.500 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.832 3.073 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.616 4.663 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.319 3.226 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.630 2.598 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.264 1.794 2.615 1.00 0.00 H new ATOM 645 N GLN A 44 -10.614 4.995 -0.543 1.00 0.00 N ATOM 646 CA GLN A 44 -9.426 5.629 -1.090 1.00 0.00 C ATOM 647 C GLN A 44 -8.401 5.882 0.019 1.00 0.00 C ATOM 648 O GLN A 44 -8.642 5.551 1.178 1.00 0.00 O ATOM 649 CB GLN A 44 -9.782 6.928 -1.815 1.00 0.00 C ATOM 650 CG GLN A 44 -10.612 6.646 -3.069 1.00 0.00 C ATOM 651 CD GLN A 44 -10.047 5.454 -3.844 1.00 0.00 C ATOM 652 OE1 GLN A 44 -10.455 4.273 -3.390 1.00 0.00 O flip ATOM 653 NE2 GLN A 44 -9.291 5.598 -4.790 1.00 0.00 N flip ATOM 0 H GLN A 44 -11.354 5.641 -0.269 1.00 0.00 H new ATOM 0 HA GLN A 44 -8.982 4.954 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.340 7.582 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.870 7.457 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.646 6.444 -2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.622 7.528 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.018 6.535 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.932 4.782 -5.285 1.00 0.00 H new ATOM 662 N TYR A 45 -7.281 6.467 -0.378 1.00 0.00 N ATOM 663 CA TYR A 45 -6.220 6.769 0.567 1.00 0.00 C ATOM 664 C TYR A 45 -5.647 8.168 0.322 1.00 0.00 C ATOM 665 O TYR A 45 -4.506 8.306 -0.113 1.00 0.00 O ATOM 666 CB TYR A 45 -5.124 5.732 0.316 1.00 0.00 C ATOM 667 CG TYR A 45 -5.155 4.548 1.284 1.00 0.00 C ATOM 668 CD1 TYR A 45 -5.581 4.730 2.584 1.00 0.00 C ATOM 669 CD2 TYR A 45 -4.757 3.296 0.857 1.00 0.00 C ATOM 670 CE1 TYR A 45 -5.609 3.615 3.495 1.00 0.00 C ATOM 671 CE2 TYR A 45 -4.786 2.182 1.769 1.00 0.00 C ATOM 672 CZ TYR A 45 -5.211 2.396 3.043 1.00 0.00 C ATOM 673 OH TYR A 45 -5.238 1.344 3.904 1.00 0.00 O ATOM 0 H TYR A 45 -7.085 6.740 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.598 6.740 1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.219 5.357 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.152 6.221 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.893 5.708 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.424 3.153 -0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.939 3.744 4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.477 1.198 1.448 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.928 0.536 3.444 1.00 0.00 H new ATOM 683 N GLU A 46 -6.468 9.167 0.610 1.00 0.00 N ATOM 684 CA GLU A 46 -6.059 10.548 0.427 1.00 0.00 C ATOM 685 C GLU A 46 -4.883 10.881 1.348 1.00 0.00 C ATOM 686 O GLU A 46 -5.030 11.656 2.292 1.00 0.00 O ATOM 687 CB GLU A 46 -7.229 11.505 0.665 1.00 0.00 C ATOM 688 CG GLU A 46 -7.114 12.744 -0.223 1.00 0.00 C ATOM 689 CD GLU A 46 -8.392 13.582 -0.164 1.00 0.00 C ATOM 690 OE1 GLU A 46 -9.468 12.964 -0.011 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.265 14.820 -0.274 1.00 0.00 O ATOM 0 H GLU A 46 -7.415 9.047 0.969 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.734 10.674 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.169 10.993 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.251 11.805 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.264 13.347 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.921 12.441 -1.252 1.00 0.00 H new ATOM 698 N ILE A 47 -3.744 10.277 1.043 1.00 0.00 N ATOM 699 CA ILE A 47 -2.544 10.499 1.833 1.00 0.00 C ATOM 700 C ILE A 47 -2.102 11.956 1.681 1.00 0.00 C ATOM 701 O ILE A 47 -2.783 12.751 1.036 1.00 0.00 O ATOM 702 CB ILE A 47 -1.461 9.485 1.458 1.00 0.00 C ATOM 703 CG1 ILE A 47 -1.026 9.661 0.002 1.00 0.00 C ATOM 704 CG2 ILE A 47 -1.924 8.056 1.750 1.00 0.00 C ATOM 705 CD1 ILE A 47 -0.290 8.418 -0.504 1.00 0.00 C ATOM 0 H ILE A 47 -3.626 9.634 0.260 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.748 10.336 2.891 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.586 9.673 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.899 9.850 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.377 10.533 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.136 7.355 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.145 7.955 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.822 7.839 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.008 8.569 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.596 8.246 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.950 7.553 -0.439 1.00 0.00 H new ATOM 717 N LYS A 48 -0.963 12.261 2.286 1.00 0.00 N ATOM 718 CA LYS A 48 -0.422 13.608 2.227 1.00 0.00 C ATOM 719 C LYS A 48 0.995 13.559 1.652 1.00 0.00 C ATOM 720 O LYS A 48 1.650 14.591 1.514 1.00 0.00 O ATOM 721 CB LYS A 48 -0.506 14.281 3.599 1.00 0.00 C ATOM 722 CG LYS A 48 -0.678 15.794 3.458 1.00 0.00 C ATOM 723 CD LYS A 48 -1.160 16.415 4.770 1.00 0.00 C ATOM 724 CE LYS A 48 -0.563 15.684 5.975 1.00 0.00 C ATOM 725 NZ LYS A 48 -0.902 16.391 7.230 1.00 0.00 N ATOM 0 H LYS A 48 -0.400 11.598 2.819 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.018 14.228 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.344 13.867 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.398 14.066 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.270 16.246 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.394 16.010 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.879 17.468 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.248 16.374 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.942 14.663 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.520 15.619 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.250 16.093 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.817 17.417 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.878 16.160 7.506 1.00 0.00 H new ATOM 739 N GLN A 49 1.428 12.347 1.332 1.00 0.00 N ATOM 740 CA GLN A 49 2.755 12.150 0.775 1.00 0.00 C ATOM 741 C GLN A 49 3.817 12.724 1.716 1.00 0.00 C ATOM 742 O GLN A 49 3.726 13.880 2.127 1.00 0.00 O ATOM 743 CB GLN A 49 2.863 12.772 -0.618 1.00 0.00 C ATOM 744 CG GLN A 49 4.138 13.607 -0.747 1.00 0.00 C ATOM 745 CD GLN A 49 5.383 12.717 -0.722 1.00 0.00 C ATOM 746 OE1 GLN A 49 6.309 12.922 0.045 1.00 0.00 O ATOM 747 NE2 GLN A 49 5.351 11.719 -1.602 1.00 0.00 N ATOM 0 H GLN A 49 0.883 11.493 1.448 1.00 0.00 H new ATOM 0 HA GLN A 49 2.929 11.079 0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.861 11.986 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.992 13.399 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.112 14.175 -1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.187 14.330 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.544 11.605 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.134 11.068 -1.664 1.00 0.00 H new ATOM 756 N ILE A 50 4.797 11.890 2.030 1.00 0.00 N ATOM 757 CA ILE A 50 5.874 12.300 2.915 1.00 0.00 C ATOM 758 C ILE A 50 7.212 11.856 2.322 1.00 0.00 C ATOM 759 O ILE A 50 8.210 12.566 2.431 1.00 0.00 O ATOM 760 CB ILE A 50 5.628 11.784 4.334 1.00 0.00 C ATOM 761 CG1 ILE A 50 6.642 10.700 4.706 1.00 0.00 C ATOM 762 CG2 ILE A 50 4.186 11.301 4.500 1.00 0.00 C ATOM 763 CD1 ILE A 50 6.165 9.897 5.919 1.00 0.00 C ATOM 0 H ILE A 50 4.868 10.932 1.687 1.00 0.00 H new ATOM 0 HA ILE A 50 5.906 13.386 2.998 1.00 0.00 H new ATOM 0 HB ILE A 50 5.772 12.612 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.792 10.031 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.606 11.159 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.038 10.939 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.501 12.126 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.990 10.493 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.903 9.133 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.039 10.565 6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.212 9.420 5.688 1.00 0.00 H new ATOM 775 N LYS A 51 7.191 10.682 1.707 1.00 0.00 N ATOM 776 CA LYS A 51 8.389 10.134 1.097 1.00 0.00 C ATOM 777 C LYS A 51 8.009 9.379 -0.178 1.00 0.00 C ATOM 778 O LYS A 51 6.832 9.108 -0.416 1.00 0.00 O ATOM 779 CB LYS A 51 9.165 9.285 2.107 1.00 0.00 C ATOM 780 CG LYS A 51 10.669 9.545 2.000 1.00 0.00 C ATOM 781 CD LYS A 51 11.403 9.033 3.242 1.00 0.00 C ATOM 782 CE LYS A 51 12.492 10.015 3.678 1.00 0.00 C ATOM 783 NZ LYS A 51 13.427 9.364 4.624 1.00 0.00 N ATOM 0 H LYS A 51 6.361 10.095 1.619 1.00 0.00 H new ATOM 0 HA LYS A 51 9.066 10.936 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.824 9.512 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.961 8.229 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.064 9.054 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.850 10.613 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.692 8.888 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.848 8.061 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.038 10.373 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.037 10.887 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.160 10.044 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.904 9.044 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.874 8.546 4.163 1.00 0.00 H new ATOM 797 N MET A 52 9.026 9.058 -0.964 1.00 0.00 N ATOM 798 CA MET A 52 8.812 8.339 -2.208 1.00 0.00 C ATOM 799 C MET A 52 9.987 7.408 -2.512 1.00 0.00 C ATOM 800 O MET A 52 10.701 7.604 -3.495 1.00 0.00 O ATOM 801 CB MET A 52 8.642 9.339 -3.353 1.00 0.00 C ATOM 802 CG MET A 52 9.875 10.235 -3.486 1.00 0.00 C ATOM 803 SD MET A 52 10.646 9.982 -5.076 1.00 0.00 S ATOM 804 CE MET A 52 12.331 10.412 -4.676 1.00 0.00 C ATOM 0 H MET A 52 10.001 9.283 -0.763 1.00 0.00 H new ATOM 0 HA MET A 52 7.911 7.734 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.475 8.803 -4.287 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.759 9.953 -3.176 1.00 0.00 H new ATOM 0 HG2 MET A 52 9.588 11.281 -3.374 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.584 10.012 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.954 10.308 -5.565 1.00 0.00 H new ATOM 0 HE2 MET A 52 12.370 11.443 -4.324 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.700 9.748 -3.894 1.00 0.00 H new ATOM 814 N PHE A 53 10.154 6.416 -1.650 1.00 0.00 N ATOM 815 CA PHE A 53 11.231 5.454 -1.814 1.00 0.00 C ATOM 816 C PHE A 53 11.410 5.077 -3.287 1.00 0.00 C ATOM 817 O PHE A 53 12.340 5.543 -3.942 1.00 0.00 O ATOM 818 CB PHE A 53 10.840 4.205 -1.024 1.00 0.00 C ATOM 819 CG PHE A 53 11.141 4.295 0.473 1.00 0.00 C ATOM 820 CD1 PHE A 53 12.411 4.535 0.897 1.00 0.00 C ATOM 821 CD2 PHE A 53 10.140 4.136 1.380 1.00 0.00 C ATOM 822 CE1 PHE A 53 12.691 4.620 2.288 1.00 0.00 C ATOM 823 CE2 PHE A 53 10.420 4.221 2.769 1.00 0.00 C ATOM 824 CZ PHE A 53 11.690 4.461 3.194 1.00 0.00 C ATOM 0 H PHE A 53 9.561 6.257 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 53 12.169 5.882 -1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.774 4.021 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.367 3.346 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 53 13.206 4.661 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.132 3.945 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.699 4.811 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.625 4.095 3.489 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.903 4.525 4.251 1.00 0.00 H new ATOM 834 N LYS A 54 10.503 4.236 -3.763 1.00 0.00 N ATOM 835 CA LYS A 54 10.549 3.791 -5.145 1.00 0.00 C ATOM 836 C LYS A 54 9.189 4.040 -5.801 1.00 0.00 C ATOM 837 O LYS A 54 8.451 3.098 -6.083 1.00 0.00 O ATOM 838 CB LYS A 54 11.012 2.334 -5.224 1.00 0.00 C ATOM 839 CG LYS A 54 12.190 2.185 -6.188 1.00 0.00 C ATOM 840 CD LYS A 54 13.282 3.213 -5.884 1.00 0.00 C ATOM 841 CE LYS A 54 13.299 4.322 -6.939 1.00 0.00 C ATOM 842 NZ LYS A 54 13.761 5.596 -6.343 1.00 0.00 N ATOM 0 H LYS A 54 9.733 3.851 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 54 11.285 4.366 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.303 1.987 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.186 1.703 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.602 1.179 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.843 2.310 -7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.114 3.646 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.253 2.719 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.955 4.039 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.301 4.450 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.399 6.393 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.408 5.671 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.801 5.620 -6.338 1.00 0.00 H new ATOM 856 N GLY A 55 8.902 5.313 -6.027 1.00 0.00 N ATOM 857 CA GLY A 55 7.645 5.698 -6.645 1.00 0.00 C ATOM 858 C GLY A 55 7.883 6.617 -7.845 1.00 0.00 C ATOM 859 O GLY A 55 8.973 6.633 -8.413 1.00 0.00 O ATOM 0 H GLY A 55 9.518 6.091 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.106 4.807 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.016 6.205 -5.913 1.00 0.00 H new ATOM 863 N PRO A 56 6.816 7.381 -8.205 1.00 0.00 N ATOM 864 CA PRO A 56 6.898 8.300 -9.327 1.00 0.00 C ATOM 865 C PRO A 56 7.708 9.544 -8.958 1.00 0.00 C ATOM 866 O PRO A 56 8.289 9.613 -7.876 1.00 0.00 O ATOM 867 CB PRO A 56 5.455 8.615 -9.683 1.00 0.00 C ATOM 868 CG PRO A 56 4.631 8.233 -8.465 1.00 0.00 C ATOM 869 CD PRO A 56 5.508 7.388 -7.555 1.00 0.00 C ATOM 0 HA PRO A 56 7.422 7.874 -10.183 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.333 9.672 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.138 8.052 -10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.286 9.125 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.743 7.676 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.566 7.814 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.112 6.378 -7.450 1.00 0.00 H new ATOM 877 N GLU A 57 7.721 10.498 -9.878 1.00 0.00 N ATOM 878 CA GLU A 57 8.451 11.736 -9.663 1.00 0.00 C ATOM 879 C GLU A 57 7.556 12.764 -8.966 1.00 0.00 C ATOM 880 O GLU A 57 8.032 13.556 -8.155 1.00 0.00 O ATOM 881 CB GLU A 57 8.995 12.287 -10.981 1.00 0.00 C ATOM 882 CG GLU A 57 9.253 11.159 -11.983 1.00 0.00 C ATOM 883 CD GLU A 57 10.069 11.661 -13.175 1.00 0.00 C ATOM 884 OE1 GLU A 57 11.313 11.611 -13.072 1.00 0.00 O ATOM 885 OE2 GLU A 57 9.430 12.082 -14.164 1.00 0.00 O ATOM 0 H GLU A 57 7.237 10.438 -10.774 1.00 0.00 H new ATOM 0 HA GLU A 57 9.303 11.526 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.284 12.997 -11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.920 12.833 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.785 10.345 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.303 10.754 -12.333 1.00 0.00 H new ATOM 892 N LYS A 58 6.277 12.718 -9.309 1.00 0.00 N ATOM 893 CA LYS A 58 5.313 13.635 -8.727 1.00 0.00 C ATOM 894 C LYS A 58 4.875 13.108 -7.360 1.00 0.00 C ATOM 895 O LYS A 58 5.335 13.593 -6.326 1.00 0.00 O ATOM 896 CB LYS A 58 4.152 13.877 -9.693 1.00 0.00 C ATOM 897 CG LYS A 58 3.594 15.293 -9.537 1.00 0.00 C ATOM 898 CD LYS A 58 3.965 16.164 -10.739 1.00 0.00 C ATOM 899 CE LYS A 58 5.483 16.271 -10.891 1.00 0.00 C ATOM 900 NZ LYS A 58 5.830 17.191 -11.997 1.00 0.00 N ATOM 0 H LYS A 58 5.886 12.060 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 58 5.769 14.611 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.490 13.727 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.362 13.149 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.510 15.251 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.983 15.743 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.534 15.740 -11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.537 17.159 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.923 16.629 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.905 15.285 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.864 17.252 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.426 16.833 -12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.444 18.136 -11.797 1.00 0.00 H new ATOM 914 N ASP A 59 3.990 12.122 -7.396 1.00 0.00 N ATOM 915 CA ASP A 59 3.485 11.523 -6.173 1.00 0.00 C ATOM 916 C ASP A 59 2.082 10.968 -6.424 1.00 0.00 C ATOM 917 O ASP A 59 1.493 11.212 -7.476 1.00 0.00 O ATOM 918 CB ASP A 59 3.390 12.559 -5.051 1.00 0.00 C ATOM 919 CG ASP A 59 2.524 12.145 -3.860 1.00 0.00 C ATOM 920 OD1 ASP A 59 2.767 11.034 -3.341 1.00 0.00 O ATOM 921 OD2 ASP A 59 1.639 12.949 -3.495 1.00 0.00 O ATOM 0 H ASP A 59 3.610 11.723 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 59 4.173 10.732 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.396 12.776 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.993 13.486 -5.465 1.00 0.00 H new ATOM 926 N ILE A 60 1.586 10.233 -5.439 1.00 0.00 N ATOM 927 CA ILE A 60 0.263 9.641 -5.539 1.00 0.00 C ATOM 928 C ILE A 60 -0.744 10.527 -4.805 1.00 0.00 C ATOM 929 O ILE A 60 -1.549 11.213 -5.435 1.00 0.00 O ATOM 930 CB ILE A 60 0.284 8.193 -5.045 1.00 0.00 C ATOM 931 CG1 ILE A 60 1.654 7.553 -5.280 1.00 0.00 C ATOM 932 CG2 ILE A 60 -0.846 7.381 -5.678 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.865 7.241 -6.764 1.00 0.00 C ATOM 0 H ILE A 60 2.077 10.034 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.055 9.592 -6.581 1.00 0.00 H new ATOM 0 HB ILE A 60 0.112 8.197 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.438 8.225 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.736 6.636 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.808 6.356 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.806 7.826 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.731 7.382 -6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.846 6.787 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.093 6.550 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.806 8.163 -7.342 1.00 0.00 H new ATOM 945 N GLU A 61 -0.668 10.486 -3.483 1.00 0.00 N ATOM 946 CA GLU A 61 -1.563 11.276 -2.656 1.00 0.00 C ATOM 947 C GLU A 61 -2.967 10.669 -2.661 1.00 0.00 C ATOM 948 O GLU A 61 -3.836 11.100 -1.906 1.00 0.00 O ATOM 949 CB GLU A 61 -1.595 12.734 -3.122 1.00 0.00 C ATOM 950 CG GLU A 61 -0.945 13.655 -2.087 1.00 0.00 C ATOM 951 CD GLU A 61 -1.778 14.921 -1.878 1.00 0.00 C ATOM 952 OE1 GLU A 61 -2.663 14.880 -0.997 1.00 0.00 O ATOM 953 OE2 GLU A 61 -1.511 15.901 -2.607 1.00 0.00 O ATOM 0 H GLU A 61 0.001 9.917 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.187 11.263 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.074 12.827 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.626 13.043 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.838 13.125 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.058 13.926 -2.416 1.00 0.00 H new ATOM 960 N PHE A 62 -3.144 9.675 -3.520 1.00 0.00 N ATOM 961 CA PHE A 62 -4.427 9.004 -3.633 1.00 0.00 C ATOM 962 C PHE A 62 -4.242 7.522 -3.966 1.00 0.00 C ATOM 963 O PHE A 62 -4.070 7.160 -5.130 1.00 0.00 O ATOM 964 CB PHE A 62 -5.186 9.680 -4.777 1.00 0.00 C ATOM 965 CG PHE A 62 -6.316 10.602 -4.313 1.00 0.00 C ATOM 966 CD1 PHE A 62 -7.505 10.075 -3.918 1.00 0.00 C ATOM 967 CD2 PHE A 62 -6.130 11.949 -4.296 1.00 0.00 C ATOM 968 CE1 PHE A 62 -8.554 10.930 -3.488 1.00 0.00 C ATOM 969 CE2 PHE A 62 -7.179 12.805 -3.866 1.00 0.00 C ATOM 970 CZ PHE A 62 -8.368 12.278 -3.471 1.00 0.00 C ATOM 0 H PHE A 62 -2.420 9.319 -4.144 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.968 9.073 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.482 10.258 -5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.602 8.911 -5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.652 9.005 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.185 12.368 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.499 10.511 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.032 13.875 -3.853 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.165 12.929 -3.144 1.00 0.00 H new ATOM 980 N ILE A 63 -4.285 6.704 -2.924 1.00 0.00 N ATOM 981 CA ILE A 63 -4.124 5.270 -3.091 1.00 0.00 C ATOM 982 C ILE A 63 -5.479 4.584 -2.906 1.00 0.00 C ATOM 983 O ILE A 63 -6.445 5.216 -2.477 1.00 0.00 O ATOM 984 CB ILE A 63 -3.034 4.740 -2.158 1.00 0.00 C ATOM 985 CG1 ILE A 63 -2.004 5.828 -1.844 1.00 0.00 C ATOM 986 CG2 ILE A 63 -2.382 3.483 -2.735 1.00 0.00 C ATOM 987 CD1 ILE A 63 -0.697 5.579 -2.600 1.00 0.00 C ATOM 0 H ILE A 63 -4.429 7.008 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.785 5.040 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.500 4.456 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.406 6.804 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.810 5.851 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.611 3.127 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.138 2.708 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.932 3.717 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.018 6.366 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.286 4.613 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.891 5.580 -3.673 1.00 0.00 H new ATOM 999 N TYR A 64 -5.508 3.302 -3.237 1.00 0.00 N ATOM 1000 CA TYR A 64 -6.729 2.524 -3.112 1.00 0.00 C ATOM 1001 C TYR A 64 -6.518 1.315 -2.199 1.00 0.00 C ATOM 1002 O TYR A 64 -5.395 0.841 -2.041 1.00 0.00 O ATOM 1003 CB TYR A 64 -7.062 2.031 -4.521 1.00 0.00 C ATOM 1004 CG TYR A 64 -7.588 3.123 -5.455 1.00 0.00 C ATOM 1005 CD1 TYR A 64 -6.826 4.248 -5.700 1.00 0.00 C ATOM 1006 CD2 TYR A 64 -8.824 2.984 -6.052 1.00 0.00 C ATOM 1007 CE1 TYR A 64 -7.321 5.275 -6.579 1.00 0.00 C ATOM 1008 CE2 TYR A 64 -9.319 4.011 -6.931 1.00 0.00 C ATOM 1009 CZ TYR A 64 -8.543 5.106 -7.151 1.00 0.00 C ATOM 1010 OH TYR A 64 -9.011 6.077 -7.981 1.00 0.00 O ATOM 0 H TYR A 64 -4.705 2.782 -3.592 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.527 3.130 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.168 1.591 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.806 1.238 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.859 4.358 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.420 2.104 -5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.735 6.160 -6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.285 3.914 -7.405 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.895 5.822 -8.317 1.00 0.00 H new ATOM 1020 N THR A 65 -7.616 0.852 -1.621 1.00 0.00 N ATOM 1021 CA THR A 65 -7.566 -0.293 -0.727 1.00 0.00 C ATOM 1022 C THR A 65 -8.980 -0.732 -0.342 1.00 0.00 C ATOM 1023 O THR A 65 -9.954 -0.323 -0.972 1.00 0.00 O ATOM 1024 CB THR A 65 -6.699 0.085 0.476 1.00 0.00 C ATOM 1025 OG1 THR A 65 -6.725 -1.077 1.301 1.00 0.00 O ATOM 1026 CG2 THR A 65 -7.341 1.171 1.343 1.00 0.00 C ATOM 0 H THR A 65 -8.546 1.249 -1.754 1.00 0.00 H new ATOM 0 HA THR A 65 -7.113 -1.156 -1.215 1.00 0.00 H new ATOM 0 HB THR A 65 -5.725 0.427 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.367 -0.857 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.685 1.402 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.496 2.069 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.300 0.816 1.719 1.00 0.00 H new ATOM 1034 N ALA A 66 -9.047 -1.561 0.690 1.00 0.00 N ATOM 1035 CA ALA A 66 -10.326 -2.061 1.166 1.00 0.00 C ATOM 1036 C ALA A 66 -10.727 -1.301 2.432 1.00 0.00 C ATOM 1037 O ALA A 66 -9.871 -0.769 3.137 1.00 0.00 O ATOM 1038 CB ALA A 66 -10.231 -3.570 1.397 1.00 0.00 C ATOM 0 H ALA A 66 -8.237 -1.899 1.209 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.104 -1.894 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.190 -3.945 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.973 -4.066 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.461 -3.776 2.141 1.00 0.00 H new ATOM 1044 N PRO A 67 -12.062 -1.275 2.688 1.00 0.00 N ATOM 1045 CA PRO A 67 -12.586 -0.589 3.857 1.00 0.00 C ATOM 1046 C PRO A 67 -12.323 -1.396 5.130 1.00 0.00 C ATOM 1047 O PRO A 67 -11.519 -2.327 5.124 1.00 0.00 O ATOM 1048 CB PRO A 67 -14.067 -0.399 3.570 1.00 0.00 C ATOM 1049 CG PRO A 67 -14.408 -1.389 2.469 1.00 0.00 C ATOM 1050 CD PRO A 67 -13.104 -1.895 1.875 1.00 0.00 C ATOM 0 HA PRO A 67 -12.101 0.371 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.665 -0.586 4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.276 0.623 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.992 -2.218 2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.017 -0.911 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.045 -2.983 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.010 -1.611 0.827 1.00 0.00 H new ATOM 1058 N SER A 68 -13.015 -1.009 6.192 1.00 0.00 N ATOM 1059 CA SER A 68 -12.866 -1.684 7.469 1.00 0.00 C ATOM 1060 C SER A 68 -11.413 -1.597 7.941 1.00 0.00 C ATOM 1061 O SER A 68 -10.603 -0.895 7.339 1.00 0.00 O ATOM 1062 CB SER A 68 -13.305 -3.147 7.373 1.00 0.00 C ATOM 1063 OG SER A 68 -14.585 -3.360 7.963 1.00 0.00 O ATOM 0 H SER A 68 -13.681 -0.236 6.193 1.00 0.00 H new ATOM 0 HA SER A 68 -13.508 -1.186 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.334 -3.449 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.568 -3.780 7.867 1.00 0.00 H new ATOM 0 HG SER A 68 -14.830 -4.305 7.880 1.00 0.00 H new ATOM 1069 N SER A 69 -11.129 -2.319 9.015 1.00 0.00 N ATOM 1070 CA SER A 69 -9.788 -2.332 9.575 1.00 0.00 C ATOM 1071 C SER A 69 -8.773 -2.709 8.494 1.00 0.00 C ATOM 1072 O SER A 69 -7.643 -2.222 8.501 1.00 0.00 O ATOM 1073 CB SER A 69 -9.692 -3.301 10.754 1.00 0.00 C ATOM 1074 OG SER A 69 -8.981 -2.738 11.852 1.00 0.00 O ATOM 0 H SER A 69 -11.805 -2.899 9.512 1.00 0.00 H new ATOM 0 HA SER A 69 -9.562 -1.331 9.944 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.695 -3.580 11.077 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.195 -4.216 10.431 1.00 0.00 H new ATOM 0 HG SER A 69 -8.943 -3.387 12.585 1.00 0.00 H new ATOM 1080 N ALA A 70 -9.212 -3.573 7.590 1.00 0.00 N ATOM 1081 CA ALA A 70 -8.356 -4.021 6.505 1.00 0.00 C ATOM 1082 C ALA A 70 -8.736 -5.452 6.119 1.00 0.00 C ATOM 1083 O ALA A 70 -8.487 -6.390 6.876 1.00 0.00 O ATOM 1084 CB ALA A 70 -6.890 -3.902 6.928 1.00 0.00 C ATOM 0 H ALA A 70 -10.150 -3.975 7.587 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.493 -3.394 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.248 -4.238 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.663 -2.862 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.714 -4.521 7.808 1.00 0.00 H new ATOM 1090 N VAL A 71 -9.333 -5.575 4.943 1.00 0.00 N ATOM 1091 CA VAL A 71 -9.750 -6.876 4.447 1.00 0.00 C ATOM 1092 C VAL A 71 -8.962 -7.210 3.180 1.00 0.00 C ATOM 1093 O VAL A 71 -8.610 -8.367 2.951 1.00 0.00 O ATOM 1094 CB VAL A 71 -11.265 -6.893 4.232 1.00 0.00 C ATOM 1095 CG1 VAL A 71 -11.946 -5.784 5.038 1.00 0.00 C ATOM 1096 CG2 VAL A 71 -11.608 -6.780 2.746 1.00 0.00 C ATOM 0 H VAL A 71 -9.538 -4.795 4.319 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.531 -7.653 5.180 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.644 -7.849 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.022 -5.818 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.742 -5.928 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.559 -4.815 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.691 -6.794 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.209 -5.846 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.169 -7.619 2.206 1.00 0.00 H new ATOM 1106 N CYS A 72 -8.707 -6.178 2.390 1.00 0.00 N ATOM 1107 CA CYS A 72 -7.966 -6.348 1.152 1.00 0.00 C ATOM 1108 C CYS A 72 -6.826 -5.329 1.130 1.00 0.00 C ATOM 1109 O CYS A 72 -6.259 -5.048 0.075 1.00 0.00 O ATOM 1110 CB CYS A 72 -8.874 -6.214 -0.073 1.00 0.00 C ATOM 1111 SG CYS A 72 -10.475 -7.090 0.059 1.00 0.00 S ATOM 0 H CYS A 72 -9.000 -5.220 2.583 1.00 0.00 H new ATOM 0 HA CYS A 72 -7.552 -7.355 1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.068 -5.156 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.341 -6.590 -0.946 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.161 -6.907 -1.030 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.522 -4.803 2.308 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.459 -3.821 2.438 1.00 0.00 C ATOM 1118 C GLY A 73 -4.965 -3.737 3.883 1.00 0.00 C ATOM 1119 O GLY A 73 -5.066 -4.705 4.635 1.00 0.00 O ATOM 0 H GLY A 73 -6.994 -5.039 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.631 -4.087 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.820 -2.844 2.116 1.00 0.00 H new ATOM 1123 N VAL A 74 -4.439 -2.570 4.228 1.00 0.00 N ATOM 1124 CA VAL A 74 -3.929 -2.347 5.570 1.00 0.00 C ATOM 1125 C VAL A 74 -4.744 -1.240 6.243 1.00 0.00 C ATOM 1126 O VAL A 74 -4.493 -0.894 7.397 1.00 0.00 O ATOM 1127 CB VAL A 74 -2.431 -2.037 5.515 1.00 0.00 C ATOM 1128 CG1 VAL A 74 -1.871 -1.793 6.918 1.00 0.00 C ATOM 1129 CG2 VAL A 74 -1.666 -3.157 4.806 1.00 0.00 C ATOM 0 H VAL A 74 -4.355 -1.770 3.601 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.040 -3.247 6.176 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.298 -1.122 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.805 -1.575 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.387 -0.948 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.022 -2.682 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.604 -2.913 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.810 -4.094 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.039 -3.264 3.787 1.00 0.00 H new ATOM 1139 N SER A 75 -5.701 -0.715 5.493 1.00 0.00 N ATOM 1140 CA SER A 75 -6.554 0.345 6.003 1.00 0.00 C ATOM 1141 C SER A 75 -5.760 1.245 6.952 1.00 0.00 C ATOM 1142 O SER A 75 -5.775 1.041 8.165 1.00 0.00 O ATOM 1143 CB SER A 75 -7.779 -0.228 6.717 1.00 0.00 C ATOM 1144 OG SER A 75 -7.789 0.094 8.104 1.00 0.00 O ATOM 0 H SER A 75 -5.905 -1.004 4.536 1.00 0.00 H new ATOM 0 HA SER A 75 -6.904 0.937 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.685 0.158 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.795 -1.311 6.596 1.00 0.00 H new ATOM 0 HG SER A 75 -7.438 -0.663 8.618 1.00 0.00 H new ATOM 1150 N LEU A 76 -5.085 2.222 6.364 1.00 0.00 N ATOM 1151 CA LEU A 76 -4.286 3.153 7.142 1.00 0.00 C ATOM 1152 C LEU A 76 -4.998 4.506 7.198 1.00 0.00 C ATOM 1153 O LEU A 76 -5.476 5.002 6.178 1.00 0.00 O ATOM 1154 CB LEU A 76 -2.861 3.230 6.590 1.00 0.00 C ATOM 1155 CG LEU A 76 -2.401 2.033 5.755 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -2.517 2.331 4.258 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -0.985 1.604 6.146 1.00 0.00 C ATOM 0 H LEU A 76 -5.075 2.389 5.358 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.186 2.802 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.777 4.128 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.174 3.349 7.428 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.063 1.193 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.184 1.464 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.555 2.551 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.895 3.190 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.682 0.752 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.295 2.432 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.968 1.323 7.199 1.00 0.00 H new ATOM 1169 N ASP A 77 -5.046 5.066 8.398 1.00 0.00 N ATOM 1170 CA ASP A 77 -5.692 6.351 8.599 1.00 0.00 C ATOM 1171 C ASP A 77 -4.688 7.330 9.213 1.00 0.00 C ATOM 1172 O ASP A 77 -5.027 8.480 9.490 1.00 0.00 O ATOM 1173 CB ASP A 77 -6.878 6.227 9.558 1.00 0.00 C ATOM 1174 CG ASP A 77 -6.620 5.370 10.799 1.00 0.00 C ATOM 1175 OD1 ASP A 77 -5.913 5.873 11.698 1.00 0.00 O ATOM 1176 OD2 ASP A 77 -7.137 4.232 10.819 1.00 0.00 O ATOM 0 H ASP A 77 -4.648 4.653 9.241 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.046 6.706 7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.172 7.226 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.723 5.806 9.014 1.00 0.00 H new ATOM 1181 N VAL A 78 -3.473 6.839 9.406 1.00 0.00 N ATOM 1182 CA VAL A 78 -2.418 7.656 9.982 1.00 0.00 C ATOM 1183 C VAL A 78 -2.709 7.885 11.466 1.00 0.00 C ATOM 1184 O VAL A 78 -1.896 7.540 12.322 1.00 0.00 O ATOM 1185 CB VAL A 78 -2.276 8.958 9.192 1.00 0.00 C ATOM 1186 CG1 VAL A 78 -1.893 10.118 10.113 1.00 0.00 C ATOM 1187 CG2 VAL A 78 -1.263 8.803 8.056 1.00 0.00 C ATOM 0 H VAL A 78 -3.195 5.885 9.174 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.458 7.144 9.915 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.244 9.188 8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.798 11.032 9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.665 10.251 10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.942 9.898 10.599 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.181 9.743 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.290 8.538 8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.595 8.017 7.377 1.00 0.00 H new ATOM 1197 N GLY A 79 -3.871 8.467 11.726 1.00 0.00 N ATOM 1198 CA GLY A 79 -4.279 8.746 13.092 1.00 0.00 C ATOM 1199 C GLY A 79 -4.238 7.477 13.947 1.00 0.00 C ATOM 1200 O GLY A 79 -4.375 7.543 15.168 1.00 0.00 O ATOM 0 H GLY A 79 -4.543 8.753 11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.623 9.501 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.287 9.160 13.097 1.00 0.00 H new ATOM 1204 N GLY A 80 -4.049 6.354 13.272 1.00 0.00 N ATOM 1205 CA GLY A 80 -3.989 5.072 13.954 1.00 0.00 C ATOM 1206 C GLY A 80 -2.632 4.400 13.737 1.00 0.00 C ATOM 1207 O GLY A 80 -2.235 3.528 14.511 1.00 0.00 O ATOM 0 H GLY A 80 -3.935 6.304 12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.162 5.215 15.021 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.784 4.423 13.586 1.00 0.00 H new ATOM 1211 N LYS A 81 -1.956 4.829 12.682 1.00 0.00 N ATOM 1212 CA LYS A 81 -0.651 4.278 12.354 1.00 0.00 C ATOM 1213 C LYS A 81 0.371 5.414 12.274 1.00 0.00 C ATOM 1214 O LYS A 81 0.965 5.792 13.283 1.00 0.00 O ATOM 1215 CB LYS A 81 -0.731 3.433 11.082 1.00 0.00 C ATOM 1216 CG LYS A 81 -2.122 3.521 10.451 1.00 0.00 C ATOM 1217 CD LYS A 81 -3.124 2.648 11.210 1.00 0.00 C ATOM 1218 CE LYS A 81 -4.520 3.276 11.195 1.00 0.00 C ATOM 1219 NZ LYS A 81 -5.395 2.568 10.234 1.00 0.00 N ATOM 0 H LYS A 81 -2.287 5.552 12.043 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.315 3.600 13.139 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.018 3.773 10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.499 2.394 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.462 4.557 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.074 3.204 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.163 1.656 10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.791 2.517 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.956 3.233 12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.449 4.329 10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.042 3.249 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.811 2.114 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.947 1.844 10.736 1.00 0.00 H new ATOM 1233 N LYS A 82 0.545 5.928 11.066 1.00 0.00 N ATOM 1234 CA LYS A 82 1.485 7.012 10.841 1.00 0.00 C ATOM 1235 C LYS A 82 1.721 7.174 9.338 1.00 0.00 C ATOM 1236 O LYS A 82 1.043 7.961 8.680 1.00 0.00 O ATOM 1237 CB LYS A 82 2.767 6.785 11.645 1.00 0.00 C ATOM 1238 CG LYS A 82 3.227 5.330 11.545 1.00 0.00 C ATOM 1239 CD LYS A 82 3.379 4.706 12.933 1.00 0.00 C ATOM 1240 CE LYS A 82 2.452 3.499 13.097 1.00 0.00 C ATOM 1241 NZ LYS A 82 3.172 2.376 13.739 1.00 0.00 N ATOM 0 H LYS A 82 0.050 5.613 10.232 1.00 0.00 H new ATOM 0 HA LYS A 82 1.073 7.954 11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.553 7.445 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.596 7.045 12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.507 4.757 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.178 5.281 11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.413 4.398 13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.152 5.450 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.587 3.776 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.075 3.188 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.488 1.747 14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.697 1.842 13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.837 2.749 14.446 1.00 0.00 H new ATOM 1255 N GLU A 83 2.687 6.416 8.839 1.00 0.00 N ATOM 1256 CA GLU A 83 3.022 6.465 7.426 1.00 0.00 C ATOM 1257 C GLU A 83 3.511 5.096 6.948 1.00 0.00 C ATOM 1258 O GLU A 83 4.100 4.340 7.720 1.00 0.00 O ATOM 1259 CB GLU A 83 4.066 7.548 7.147 1.00 0.00 C ATOM 1260 CG GLU A 83 3.756 8.824 7.933 1.00 0.00 C ATOM 1261 CD GLU A 83 4.195 8.689 9.392 1.00 0.00 C ATOM 1262 OE1 GLU A 83 5.050 7.814 9.650 1.00 0.00 O ATOM 1263 OE2 GLU A 83 3.664 9.463 10.218 1.00 0.00 O ATOM 0 H GLU A 83 3.248 5.765 9.388 1.00 0.00 H new ATOM 0 HA GLU A 83 2.122 6.722 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.056 7.182 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.089 7.770 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.265 9.671 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.687 9.032 7.889 1.00 0.00 H new ATOM 1270 N TYR A 84 3.249 4.820 5.680 1.00 0.00 N ATOM 1271 CA TYR A 84 3.654 3.554 5.090 1.00 0.00 C ATOM 1272 C TYR A 84 4.378 3.777 3.761 1.00 0.00 C ATOM 1273 O TYR A 84 4.145 4.775 3.082 1.00 0.00 O ATOM 1274 CB TYR A 84 2.362 2.777 4.830 1.00 0.00 C ATOM 1275 CG TYR A 84 1.337 3.537 3.988 1.00 0.00 C ATOM 1276 CD1 TYR A 84 1.636 3.891 2.688 1.00 0.00 C ATOM 1277 CD2 TYR A 84 0.111 3.871 4.529 1.00 0.00 C ATOM 1278 CE1 TYR A 84 0.671 4.607 1.896 1.00 0.00 C ATOM 1279 CE2 TYR A 84 -0.854 4.588 3.737 1.00 0.00 C ATOM 1280 CZ TYR A 84 -0.527 4.921 2.460 1.00 0.00 C ATOM 1281 OH TYR A 84 -1.439 5.596 1.711 1.00 0.00 O ATOM 0 H TYR A 84 2.761 5.451 5.044 1.00 0.00 H new ATOM 0 HA TYR A 84 4.335 3.021 5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.608 1.842 4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.909 2.515 5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.595 3.631 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.124 3.594 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.893 4.889 0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.816 4.855 4.148 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.305 5.140 1.760 1.00 0.00 H new ATOM 1291 N LEU A 85 5.243 2.829 3.430 1.00 0.00 N ATOM 1292 CA LEU A 85 6.002 2.909 2.193 1.00 0.00 C ATOM 1293 C LEU A 85 5.157 2.357 1.043 1.00 0.00 C ATOM 1294 O LEU A 85 5.627 2.269 -0.089 1.00 0.00 O ATOM 1295 CB LEU A 85 7.356 2.213 2.351 1.00 0.00 C ATOM 1296 CG LEU A 85 7.312 0.766 2.848 1.00 0.00 C ATOM 1297 CD1 LEU A 85 7.350 0.710 4.377 1.00 0.00 C ATOM 1298 CD2 LEU A 85 6.100 0.026 2.277 1.00 0.00 C ATOM 0 H LEU A 85 5.435 2.003 3.996 1.00 0.00 H new ATOM 0 HA LEU A 85 6.228 3.947 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.866 2.230 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.963 2.796 3.043 1.00 0.00 H new ATOM 0 HG LEU A 85 8.202 0.253 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.318 -0.329 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.269 1.175 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.491 1.245 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.093 -1.000 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.186 0.530 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.157 0.020 1.189 1.00 0.00 H new ATOM 1310 N ILE A 86 3.925 2.001 1.375 1.00 0.00 N ATOM 1311 CA ILE A 86 3.010 1.461 0.385 1.00 0.00 C ATOM 1312 C ILE A 86 3.778 1.165 -0.905 1.00 0.00 C ATOM 1313 O ILE A 86 4.120 2.081 -1.651 1.00 0.00 O ATOM 1314 CB ILE A 86 1.817 2.399 0.189 1.00 0.00 C ATOM 1315 CG1 ILE A 86 0.553 1.818 0.825 1.00 0.00 C ATOM 1316 CG2 ILE A 86 1.615 2.727 -1.291 1.00 0.00 C ATOM 1317 CD1 ILE A 86 0.829 1.333 2.251 1.00 0.00 C ATOM 0 H ILE A 86 3.539 2.076 2.316 1.00 0.00 H new ATOM 0 HA ILE A 86 2.590 0.517 0.730 1.00 0.00 H new ATOM 0 HB ILE A 86 2.033 3.337 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.232 2.575 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.185 0.989 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.761 3.395 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.509 3.213 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.431 1.807 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.086 0.925 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.597 0.559 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.173 2.169 2.859 1.00 0.00 H new ATOM 1329 N ALA A 87 4.025 -0.117 -1.129 1.00 0.00 N ATOM 1330 CA ALA A 87 4.746 -0.545 -2.315 1.00 0.00 C ATOM 1331 C ALA A 87 3.966 -1.666 -3.004 1.00 0.00 C ATOM 1332 O ALA A 87 3.881 -2.778 -2.483 1.00 0.00 O ATOM 1333 CB ALA A 87 6.162 -0.973 -1.926 1.00 0.00 C ATOM 0 H ALA A 87 3.738 -0.874 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 87 4.838 0.277 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.703 -1.294 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.683 -0.132 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.110 -1.798 -1.216 1.00 0.00 H new ATOM 1339 N GLY A 88 3.417 -1.336 -4.163 1.00 0.00 N ATOM 1340 CA GLY A 88 2.647 -2.302 -4.928 1.00 0.00 C ATOM 1341 C GLY A 88 2.795 -2.055 -6.431 1.00 0.00 C ATOM 1342 O GLY A 88 3.344 -1.035 -6.844 1.00 0.00 O ATOM 0 H GLY A 88 3.490 -0.413 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.981 -3.311 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.596 -2.239 -4.647 1.00 0.00 H new ATOM 1346 N LYS A 89 2.295 -3.006 -7.207 1.00 0.00 N ATOM 1347 CA LYS A 89 2.365 -2.904 -8.655 1.00 0.00 C ATOM 1348 C LYS A 89 2.099 -1.455 -9.073 1.00 0.00 C ATOM 1349 O LYS A 89 2.687 -0.968 -10.038 1.00 0.00 O ATOM 1350 CB LYS A 89 1.421 -3.915 -9.309 1.00 0.00 C ATOM 1351 CG LYS A 89 1.851 -4.215 -10.747 1.00 0.00 C ATOM 1352 CD LYS A 89 1.789 -5.716 -11.036 1.00 0.00 C ATOM 1353 CE LYS A 89 2.807 -6.110 -12.107 1.00 0.00 C ATOM 1354 NZ LYS A 89 2.118 -6.513 -13.354 1.00 0.00 N ATOM 0 H LYS A 89 1.840 -3.850 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 89 3.364 -3.160 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.411 -4.837 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.403 -3.524 -9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.205 -3.680 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.865 -3.851 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.984 -6.275 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.786 -5.985 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.475 -5.272 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.426 -6.931 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.824 -6.777 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.499 -7.326 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.547 -5.719 -13.707 1.00 0.00 H new ATOM 1368 N ALA A 90 1.216 -0.810 -8.327 1.00 0.00 N ATOM 1369 CA ALA A 90 0.866 0.572 -8.608 1.00 0.00 C ATOM 1370 C ALA A 90 -0.207 0.611 -9.699 1.00 0.00 C ATOM 1371 O ALA A 90 -0.600 -0.430 -10.225 1.00 0.00 O ATOM 1372 CB ALA A 90 2.125 1.347 -9.001 1.00 0.00 C ATOM 0 H ALA A 90 0.732 -1.219 -7.528 1.00 0.00 H new ATOM 0 HA ALA A 90 0.451 1.051 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.863 2.384 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.843 1.314 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.567 0.896 -9.890 1.00 0.00 H new ATOM 1378 N GLU A 91 -0.648 1.821 -10.008 1.00 0.00 N ATOM 1379 CA GLU A 91 -1.667 2.009 -11.026 1.00 0.00 C ATOM 1380 C GLU A 91 -1.283 3.162 -11.955 1.00 0.00 C ATOM 1381 O GLU A 91 -2.075 3.572 -12.802 1.00 0.00 O ATOM 1382 CB GLU A 91 -3.039 2.248 -10.393 1.00 0.00 C ATOM 1383 CG GLU A 91 -4.159 1.743 -11.304 1.00 0.00 C ATOM 1384 CD GLU A 91 -3.970 0.261 -11.636 1.00 0.00 C ATOM 1385 OE1 GLU A 91 -3.898 -0.532 -10.673 1.00 0.00 O ATOM 1386 OE2 GLU A 91 -3.902 -0.045 -12.846 1.00 0.00 O ATOM 0 H GLU A 91 -0.318 2.682 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.732 1.097 -11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.092 1.741 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.174 3.312 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.123 1.890 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.175 2.326 -12.225 1.00 0.00 H new ATOM 1393 N GLY A 92 -0.067 3.654 -11.764 1.00 0.00 N ATOM 1394 CA GLY A 92 0.431 4.753 -12.574 1.00 0.00 C ATOM 1395 C GLY A 92 0.974 5.880 -11.693 1.00 0.00 C ATOM 1396 O GLY A 92 1.859 5.657 -10.869 1.00 0.00 O ATOM 0 H GLY A 92 0.587 3.312 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.218 4.394 -13.237 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.370 5.135 -13.207 1.00 0.00 H new ATOM 1400 N ASP A 93 0.421 7.067 -11.898 1.00 0.00 N ATOM 1401 CA ASP A 93 0.839 8.229 -11.134 1.00 0.00 C ATOM 1402 C ASP A 93 -0.394 8.922 -10.552 1.00 0.00 C ATOM 1403 O ASP A 93 -1.446 8.964 -11.189 1.00 0.00 O ATOM 1404 CB ASP A 93 1.573 9.237 -12.021 1.00 0.00 C ATOM 1405 CG ASP A 93 3.055 8.935 -12.253 1.00 0.00 C ATOM 1406 OD1 ASP A 93 3.343 7.791 -12.665 1.00 0.00 O ATOM 1407 OD2 ASP A 93 3.865 9.856 -12.014 1.00 0.00 O ATOM 0 H ASP A 93 -0.313 7.248 -12.583 1.00 0.00 H new ATOM 0 HA ASP A 93 1.508 7.889 -10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.071 9.281 -12.987 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.485 10.226 -11.571 1.00 0.00 H new ATOM 1412 N GLY A 94 -0.225 9.448 -9.347 1.00 0.00 N ATOM 1413 CA GLY A 94 -1.312 10.136 -8.672 1.00 0.00 C ATOM 1414 C GLY A 94 -2.332 9.140 -8.117 1.00 0.00 C ATOM 1415 O GLY A 94 -3.322 9.536 -7.504 1.00 0.00 O ATOM 0 H GLY A 94 0.648 9.411 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.913 10.744 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.804 10.816 -9.367 1.00 0.00 H new ATOM 1419 N LYS A 95 -2.055 7.866 -8.353 1.00 0.00 N ATOM 1420 CA LYS A 95 -2.937 6.810 -7.885 1.00 0.00 C ATOM 1421 C LYS A 95 -2.307 5.451 -8.195 1.00 0.00 C ATOM 1422 O LYS A 95 -1.681 5.276 -9.239 1.00 0.00 O ATOM 1423 CB LYS A 95 -4.340 6.984 -8.469 1.00 0.00 C ATOM 1424 CG LYS A 95 -4.433 6.367 -9.867 1.00 0.00 C ATOM 1425 CD LYS A 95 -3.621 7.177 -10.879 1.00 0.00 C ATOM 1426 CE LYS A 95 -4.146 8.610 -10.982 1.00 0.00 C ATOM 1427 NZ LYS A 95 -5.594 8.611 -11.289 1.00 0.00 N ATOM 0 H LYS A 95 -1.233 7.541 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.058 6.867 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.072 6.515 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.588 8.044 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.067 5.340 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.476 6.326 -10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.572 7.191 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.669 6.697 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.967 9.137 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.603 9.147 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.878 9.555 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.792 7.910 -12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.131 8.369 -10.432 1.00 0.00 H new ATOM 1441 N MET A 96 -2.492 4.523 -7.268 1.00 0.00 N ATOM 1442 CA MET A 96 -1.949 3.185 -7.429 1.00 0.00 C ATOM 1443 C MET A 96 -2.868 2.140 -6.791 1.00 0.00 C ATOM 1444 O MET A 96 -3.991 2.452 -6.399 1.00 0.00 O ATOM 1445 CB MET A 96 -0.565 3.113 -6.780 1.00 0.00 C ATOM 1446 CG MET A 96 -0.463 4.082 -5.600 1.00 0.00 C ATOM 1447 SD MET A 96 0.264 3.257 -4.194 1.00 0.00 S ATOM 1448 CE MET A 96 1.817 4.133 -4.089 1.00 0.00 C ATOM 0 H MET A 96 -3.011 4.671 -6.402 1.00 0.00 H new ATOM 0 HA MET A 96 -1.871 2.971 -8.495 1.00 0.00 H new ATOM 0 HB2 MET A 96 -0.372 2.096 -6.438 1.00 0.00 H new ATOM 0 HB3 MET A 96 0.200 3.352 -7.519 1.00 0.00 H new ATOM 0 HG2 MET A 96 0.142 4.945 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.453 4.457 -5.340 1.00 0.00 H new ATOM 0 HE1 MET A 96 2.627 3.420 -3.938 1.00 0.00 H new ATOM 0 HE2 MET A 96 1.987 4.685 -5.014 1.00 0.00 H new ATOM 0 HE3 MET A 96 1.786 4.830 -3.251 1.00 0.00 H new ATOM 1458 N HIS A 97 -2.355 0.921 -6.707 1.00 0.00 N ATOM 1459 CA HIS A 97 -3.115 -0.171 -6.123 1.00 0.00 C ATOM 1460 C HIS A 97 -2.281 -0.854 -5.037 1.00 0.00 C ATOM 1461 O HIS A 97 -1.124 -1.205 -5.266 1.00 0.00 O ATOM 1462 CB HIS A 97 -3.588 -1.144 -7.206 1.00 0.00 C ATOM 1463 CG HIS A 97 -5.074 -1.092 -7.471 1.00 0.00 C ATOM 1464 ND1 HIS A 97 -5.991 -0.114 -7.219 1.00 0.00 N flip ATOM 1465 CD2 HIS A 97 -5.767 -2.135 -8.060 1.00 0.00 C flip ATOM 1466 CE1 HIS A 97 -7.178 -0.536 -7.634 1.00 0.00 C flip ATOM 1467 NE2 HIS A 97 -7.042 -1.789 -8.155 1.00 0.00 N flip ATOM 0 H HIS A 97 -1.423 0.666 -7.033 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.015 0.221 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -3.056 -0.927 -8.132 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.317 -2.158 -6.913 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.341 -3.072 -8.387 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.101 0.021 -7.570 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.790 -2.359 -8.549 1.00 0.00 H new ATOM 1475 N ILE A 98 -2.901 -1.023 -3.878 1.00 0.00 N ATOM 1476 CA ILE A 98 -2.230 -1.657 -2.756 1.00 0.00 C ATOM 1477 C ILE A 98 -3.225 -2.551 -2.013 1.00 0.00 C ATOM 1478 O ILE A 98 -4.381 -2.176 -1.822 1.00 0.00 O ATOM 1479 CB ILE A 98 -1.564 -0.606 -1.866 1.00 0.00 C ATOM 1480 CG1 ILE A 98 -2.610 0.283 -1.189 1.00 0.00 C ATOM 1481 CG2 ILE A 98 -0.542 0.213 -2.657 1.00 0.00 C ATOM 1482 CD1 ILE A 98 -1.957 1.512 -0.555 1.00 0.00 C ATOM 0 H ILE A 98 -3.861 -0.732 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.423 -2.300 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.021 -1.123 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.353 0.599 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.138 -0.288 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.083 0.953 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.228 -0.450 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.042 0.720 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.722 2.127 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.232 1.193 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.451 2.093 -1.326 1.00 0.00 H new ATOM 1494 N THR A 99 -2.739 -3.717 -1.612 1.00 0.00 N ATOM 1495 CA THR A 99 -3.570 -4.667 -0.893 1.00 0.00 C ATOM 1496 C THR A 99 -2.785 -5.300 0.257 1.00 0.00 C ATOM 1497 O THR A 99 -1.558 -5.221 0.292 1.00 0.00 O ATOM 1498 CB THR A 99 -4.101 -5.689 -1.902 1.00 0.00 C ATOM 1499 OG1 THR A 99 -3.006 -5.900 -2.790 1.00 0.00 O ATOM 1500 CG2 THR A 99 -5.200 -5.112 -2.796 1.00 0.00 C ATOM 0 H THR A 99 -1.780 -4.025 -1.772 1.00 0.00 H new ATOM 0 HA THR A 99 -4.423 -4.173 -0.428 1.00 0.00 H new ATOM 0 HB THR A 99 -4.486 -6.559 -1.370 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.262 -6.551 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.541 -5.877 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.036 -4.784 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.806 -4.263 -3.354 1.00 0.00 H new ATOM 1508 N LEU A 100 -3.524 -5.914 1.168 1.00 0.00 N ATOM 1509 CA LEU A 100 -2.912 -6.560 2.317 1.00 0.00 C ATOM 1510 C LEU A 100 -2.005 -7.695 1.835 1.00 0.00 C ATOM 1511 O LEU A 100 -1.017 -8.024 2.489 1.00 0.00 O ATOM 1512 CB LEU A 100 -3.983 -7.011 3.312 1.00 0.00 C ATOM 1513 CG LEU A 100 -4.532 -8.425 3.113 1.00 0.00 C ATOM 1514 CD1 LEU A 100 -4.631 -9.168 4.448 1.00 0.00 C ATOM 1515 CD2 LEU A 100 -5.870 -8.396 2.373 1.00 0.00 C ATOM 0 H LEU A 100 -4.541 -5.978 1.134 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.282 -5.855 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.568 -6.942 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.816 -6.309 3.262 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.831 -8.978 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.024 -10.170 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.641 -9.238 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.298 -8.625 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.237 -9.414 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.593 -7.819 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.735 -7.934 1.395 1.00 0.00 H new ATOM 1527 N CYS A 101 -2.374 -8.261 0.695 1.00 0.00 N ATOM 1528 CA CYS A 101 -1.606 -9.351 0.118 1.00 0.00 C ATOM 1529 C CYS A 101 -0.346 -8.764 -0.523 1.00 0.00 C ATOM 1530 O CYS A 101 0.689 -9.427 -0.586 1.00 0.00 O ATOM 1531 CB CYS A 101 -2.433 -10.158 -0.884 1.00 0.00 C ATOM 1532 SG CYS A 101 -4.184 -9.642 -1.025 1.00 0.00 S ATOM 0 H CYS A 101 -3.195 -7.985 0.156 1.00 0.00 H new ATOM 0 HA CYS A 101 -1.321 -10.053 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -1.966 -10.080 -1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -2.400 -11.209 -0.598 1.00 0.00 H new ATOM 1537 N ASP A 102 -0.475 -7.528 -0.982 1.00 0.00 N ATOM 1538 CA ASP A 102 0.640 -6.845 -1.617 1.00 0.00 C ATOM 1539 C ASP A 102 1.562 -6.273 -0.538 1.00 0.00 C ATOM 1540 O ASP A 102 1.216 -6.272 0.643 1.00 0.00 O ATOM 1541 CB ASP A 102 0.152 -5.684 -2.485 1.00 0.00 C ATOM 1542 CG ASP A 102 1.039 -5.361 -3.690 1.00 0.00 C ATOM 1543 OD1 ASP A 102 2.232 -5.726 -3.630 1.00 0.00 O ATOM 1544 OD2 ASP A 102 0.502 -4.755 -4.642 1.00 0.00 O ATOM 0 H ASP A 102 -1.334 -6.981 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 102 1.166 -7.566 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.852 -5.914 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.072 -4.793 -1.862 1.00 0.00 H new ATOM 1549 N PHE A 103 2.718 -5.803 -0.982 1.00 0.00 N ATOM 1550 CA PHE A 103 3.692 -5.229 -0.069 1.00 0.00 C ATOM 1551 C PHE A 103 3.213 -3.880 0.468 1.00 0.00 C ATOM 1552 O PHE A 103 3.028 -2.934 -0.297 1.00 0.00 O ATOM 1553 CB PHE A 103 4.982 -5.020 -0.865 1.00 0.00 C ATOM 1554 CG PHE A 103 5.980 -4.074 -0.195 1.00 0.00 C ATOM 1555 CD1 PHE A 103 5.907 -3.845 1.143 1.00 0.00 C ATOM 1556 CD2 PHE A 103 6.942 -3.463 -0.937 1.00 0.00 C ATOM 1557 CE1 PHE A 103 6.834 -2.967 1.766 1.00 0.00 C ATOM 1558 CE2 PHE A 103 7.868 -2.585 -0.316 1.00 0.00 C ATOM 1559 CZ PHE A 103 7.795 -2.356 1.023 1.00 0.00 C ATOM 0 H PHE A 103 3.002 -5.808 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 103 3.842 -5.894 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.461 -5.986 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.730 -4.627 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.144 -4.331 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.001 -3.646 -2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.775 -2.785 2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.631 -2.099 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 103 8.500 -1.689 1.496 1.00 0.00 H new ATOM 1569 N ILE A 104 3.028 -3.832 1.780 1.00 0.00 N ATOM 1570 CA ILE A 104 2.574 -2.614 2.428 1.00 0.00 C ATOM 1571 C ILE A 104 2.819 -2.720 3.935 1.00 0.00 C ATOM 1572 O ILE A 104 2.491 -3.733 4.550 1.00 0.00 O ATOM 1573 CB ILE A 104 1.119 -2.321 2.061 1.00 0.00 C ATOM 1574 CG1 ILE A 104 0.275 -3.598 2.102 1.00 0.00 C ATOM 1575 CG2 ILE A 104 1.024 -1.617 0.706 1.00 0.00 C ATOM 1576 CD1 ILE A 104 -1.208 -3.283 1.907 1.00 0.00 C ATOM 0 H ILE A 104 3.185 -4.618 2.411 1.00 0.00 H new ATOM 0 HA ILE A 104 3.147 -1.758 2.071 1.00 0.00 H new ATOM 0 HB ILE A 104 0.711 -1.639 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.610 -4.284 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.420 -4.103 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.022 -1.421 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.570 -0.674 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.457 -2.254 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.784 -4.208 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.546 -2.616 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.353 -2.800 0.941 1.00 0.00 H new ATOM 1588 N VAL A 105 3.395 -1.662 4.485 1.00 0.00 N ATOM 1589 CA VAL A 105 3.687 -1.625 5.908 1.00 0.00 C ATOM 1590 C VAL A 105 3.733 -0.169 6.376 1.00 0.00 C ATOM 1591 O VAL A 105 3.952 0.739 5.576 1.00 0.00 O ATOM 1592 CB VAL A 105 4.983 -2.385 6.195 1.00 0.00 C ATOM 1593 CG1 VAL A 105 4.693 -3.723 6.878 1.00 0.00 C ATOM 1594 CG2 VAL A 105 5.796 -2.588 4.915 1.00 0.00 C ATOM 0 H VAL A 105 3.667 -0.824 3.971 1.00 0.00 H new ATOM 0 HA VAL A 105 2.900 -2.124 6.473 1.00 0.00 H new ATOM 0 HB VAL A 105 5.581 -1.782 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.631 -4.244 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.176 -3.546 7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.066 -4.334 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.712 -3.131 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.208 -3.160 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 105 6.048 -1.618 4.486 1.00 0.00 H new ATOM 1604 N PRO A 106 3.516 0.014 7.706 1.00 0.00 N ATOM 1605 CA PRO A 106 3.530 1.343 8.291 1.00 0.00 C ATOM 1606 C PRO A 106 4.960 1.873 8.417 1.00 0.00 C ATOM 1607 O PRO A 106 5.187 2.921 9.020 1.00 0.00 O ATOM 1608 CB PRO A 106 2.835 1.190 9.634 1.00 0.00 C ATOM 1609 CG PRO A 106 2.873 -0.296 9.955 1.00 0.00 C ATOM 1610 CD PRO A 106 3.255 -1.038 8.685 1.00 0.00 C ATOM 0 HA PRO A 106 3.016 2.079 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.343 1.769 10.405 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.808 1.553 9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.595 -0.497 10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.902 -0.633 10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.135 -1.662 8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.452 -1.697 8.354 1.00 0.00 H new ATOM 1618 N TRP A 107 5.886 1.126 7.835 1.00 0.00 N ATOM 1619 CA TRP A 107 7.288 1.507 7.873 1.00 0.00 C ATOM 1620 C TRP A 107 7.814 1.237 9.284 1.00 0.00 C ATOM 1621 O TRP A 107 8.777 0.492 9.460 1.00 0.00 O ATOM 1622 CB TRP A 107 7.473 2.961 7.434 1.00 0.00 C ATOM 1623 CG TRP A 107 8.883 3.287 6.938 1.00 0.00 C ATOM 1624 CD1 TRP A 107 9.594 2.651 5.997 1.00 0.00 C ATOM 1625 CD2 TRP A 107 9.730 4.361 7.397 1.00 0.00 C ATOM 1626 NE1 TRP A 107 10.831 3.234 5.817 1.00 0.00 N ATOM 1627 CE2 TRP A 107 10.917 4.308 6.696 1.00 0.00 C ATOM 1628 CE3 TRP A 107 9.499 5.347 8.374 1.00 0.00 C ATOM 1629 CZ2 TRP A 107 11.967 5.211 6.895 1.00 0.00 C ATOM 1630 CZ3 TRP A 107 10.559 6.242 8.562 1.00 0.00 C ATOM 1631 CH2 TRP A 107 11.761 6.201 7.863 1.00 0.00 C ATOM 0 H TRP A 107 5.693 0.259 7.334 1.00 0.00 H new ATOM 0 HA TRP A 107 7.868 0.913 7.166 1.00 0.00 H new ATOM 0 HB2 TRP A 107 6.759 3.184 6.641 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.233 3.616 8.272 1.00 0.00 H new ATOM 0 HD1 TRP A 107 9.243 1.790 5.448 1.00 0.00 H new ATOM 0 HE1 TRP A 107 11.551 2.933 5.160 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.578 5.408 8.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 12.887 5.148 6.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 10.435 7.019 9.302 1.00 0.00 H new ATOM 0 HH2 TRP A 107 12.532 6.930 8.066 1.00 0.00 H new ATOM 1642 N ASP A 108 7.157 1.856 10.254 1.00 0.00 N ATOM 1643 CA ASP A 108 7.546 1.692 11.644 1.00 0.00 C ATOM 1644 C ASP A 108 7.223 0.265 12.095 1.00 0.00 C ATOM 1645 O ASP A 108 6.591 0.066 13.131 1.00 0.00 O ATOM 1646 CB ASP A 108 6.778 2.658 12.549 1.00 0.00 C ATOM 1647 CG ASP A 108 7.154 2.593 14.031 1.00 0.00 C ATOM 1648 OD1 ASP A 108 7.902 1.656 14.386 1.00 0.00 O ATOM 1649 OD2 ASP A 108 6.684 3.481 14.774 1.00 0.00 O ATOM 0 H ASP A 108 6.358 2.472 10.105 1.00 0.00 H new ATOM 0 HA ASP A 108 8.614 1.897 11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.942 3.675 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.712 2.454 12.451 1.00 0.00 H new ATOM 1654 N THR A 109 7.671 -0.690 11.293 1.00 0.00 N ATOM 1655 CA THR A 109 7.438 -2.092 11.596 1.00 0.00 C ATOM 1656 C THR A 109 8.454 -2.971 10.866 1.00 0.00 C ATOM 1657 O THR A 109 9.160 -3.762 11.491 1.00 0.00 O ATOM 1658 CB THR A 109 5.986 -2.417 11.240 1.00 0.00 C ATOM 1659 OG1 THR A 109 5.801 -1.820 9.958 1.00 0.00 O ATOM 1660 CG2 THR A 109 4.985 -1.689 12.139 1.00 0.00 C ATOM 0 H THR A 109 8.194 -0.520 10.434 1.00 0.00 H new ATOM 0 HA THR A 109 7.581 -2.297 12.657 1.00 0.00 H new ATOM 0 HB THR A 109 5.826 -3.492 11.316 1.00 0.00 H new ATOM 0 HG1 THR A 109 5.942 -2.493 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.970 -1.955 11.843 1.00 0.00 H new ATOM 0 HG22 THR A 109 5.149 -1.980 13.177 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.122 -0.612 12.038 1.00 0.00 H new ATOM 1668 N LEU A 110 8.497 -2.804 9.552 1.00 0.00 N ATOM 1669 CA LEU A 110 9.416 -3.573 8.729 1.00 0.00 C ATOM 1670 C LEU A 110 10.076 -4.656 9.585 1.00 0.00 C ATOM 1671 O LEU A 110 9.438 -5.644 9.943 1.00 0.00 O ATOM 1672 CB LEU A 110 10.415 -2.647 8.031 1.00 0.00 C ATOM 1673 CG LEU A 110 9.810 -1.524 7.187 1.00 0.00 C ATOM 1674 CD1 LEU A 110 10.881 -0.514 6.771 1.00 0.00 C ATOM 1675 CD2 LEU A 110 9.057 -2.089 5.982 1.00 0.00 C ATOM 0 H LEU A 110 7.910 -2.148 9.037 1.00 0.00 H new ATOM 0 HA LEU A 110 8.877 -4.082 7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.057 -2.199 8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.055 -3.253 7.389 1.00 0.00 H new ATOM 0 HG LEU A 110 9.083 -0.990 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.425 0.274 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.334 -0.077 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.648 -1.018 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.637 -1.270 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.744 -2.662 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.253 -2.738 6.327 1.00 0.00 H new ATOM 1687 N SER A 111 11.346 -4.433 9.888 1.00 0.00 N ATOM 1688 CA SER A 111 12.100 -5.378 10.696 1.00 0.00 C ATOM 1689 C SER A 111 13.568 -5.381 10.264 1.00 0.00 C ATOM 1690 O SER A 111 14.466 -5.432 11.103 1.00 0.00 O ATOM 1691 CB SER A 111 11.512 -6.786 10.590 1.00 0.00 C ATOM 1692 OG SER A 111 10.481 -7.007 11.547 1.00 0.00 O ATOM 0 H SER A 111 11.873 -3.612 9.589 1.00 0.00 H new ATOM 0 HA SER A 111 12.035 -5.065 11.738 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.114 -6.938 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.304 -7.521 10.734 1.00 0.00 H new ATOM 0 HG SER A 111 9.635 -6.649 11.205 1.00 0.00 H new ATOM 1698 N THR A 112 13.766 -5.326 8.955 1.00 0.00 N ATOM 1699 CA THR A 112 15.110 -5.322 8.401 1.00 0.00 C ATOM 1700 C THR A 112 15.082 -5.754 6.933 1.00 0.00 C ATOM 1701 O THR A 112 15.425 -4.974 6.046 1.00 0.00 O ATOM 1702 CB THR A 112 15.986 -6.215 9.281 1.00 0.00 C ATOM 1703 OG1 THR A 112 16.701 -5.297 10.105 1.00 0.00 O ATOM 1704 CG2 THR A 112 17.080 -6.930 8.486 1.00 0.00 C ATOM 0 H THR A 112 13.019 -5.284 8.262 1.00 0.00 H new ATOM 0 HA THR A 112 15.537 -4.319 8.404 1.00 0.00 H new ATOM 0 HB THR A 112 15.361 -6.953 9.783 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.198 -5.139 10.931 1.00 0.00 H new ATOM 0 HG21 THR A 112 17.672 -7.550 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 112 16.623 -7.558 7.722 1.00 0.00 H new ATOM 0 HG23 THR A 112 17.726 -6.192 8.010 1.00 0.00 H new ATOM 1712 N THR A 113 14.673 -6.997 6.723 1.00 0.00 N ATOM 1713 CA THR A 113 14.597 -7.542 5.380 1.00 0.00 C ATOM 1714 C THR A 113 13.814 -6.599 4.464 1.00 0.00 C ATOM 1715 O THR A 113 14.015 -6.596 3.251 1.00 0.00 O ATOM 1716 CB THR A 113 13.988 -8.944 5.471 1.00 0.00 C ATOM 1717 OG1 THR A 113 15.001 -9.722 6.101 1.00 0.00 O ATOM 1718 CG2 THR A 113 13.813 -9.598 4.099 1.00 0.00 C ATOM 0 H THR A 113 14.391 -7.642 7.461 1.00 0.00 H new ATOM 0 HA THR A 113 15.588 -7.630 4.934 1.00 0.00 H new ATOM 0 HB THR A 113 13.021 -8.887 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 113 14.689 -10.646 6.201 1.00 0.00 H new ATOM 0 HG21 THR A 113 13.378 -10.590 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 113 13.153 -8.985 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 113 14.784 -9.686 3.611 1.00 0.00 H new ATOM 1726 N GLN A 114 12.938 -5.819 5.081 1.00 0.00 N ATOM 1727 CA GLN A 114 12.125 -4.873 4.336 1.00 0.00 C ATOM 1728 C GLN A 114 12.899 -3.572 4.108 1.00 0.00 C ATOM 1729 O GLN A 114 12.728 -2.916 3.082 1.00 0.00 O ATOM 1730 CB GLN A 114 10.802 -4.604 5.056 1.00 0.00 C ATOM 1731 CG GLN A 114 9.752 -5.652 4.682 1.00 0.00 C ATOM 1732 CD GLN A 114 9.768 -6.820 5.672 1.00 0.00 C ATOM 1733 OE1 GLN A 114 10.924 -7.474 5.719 1.00 0.00 O flip ATOM 1734 NE2 GLN A 114 8.793 -7.106 6.348 1.00 0.00 N flip ATOM 0 H GLN A 114 12.774 -5.823 6.088 1.00 0.00 H new ATOM 0 HA GLN A 114 11.892 -5.309 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.962 -4.613 6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 114 10.438 -3.610 4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.763 -5.194 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 114 9.944 -6.021 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 114 7.935 -6.561 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.836 -7.890 6.999 1.00 0.00 H new ATOM 1743 N LYS A 115 13.735 -3.239 5.081 1.00 0.00 N ATOM 1744 CA LYS A 115 14.534 -2.029 4.999 1.00 0.00 C ATOM 1745 C LYS A 115 15.645 -2.227 3.965 1.00 0.00 C ATOM 1746 O LYS A 115 15.922 -1.332 3.168 1.00 0.00 O ATOM 1747 CB LYS A 115 15.048 -1.632 6.384 1.00 0.00 C ATOM 1748 CG LYS A 115 14.252 -0.453 6.947 1.00 0.00 C ATOM 1749 CD LYS A 115 14.149 -0.539 8.471 1.00 0.00 C ATOM 1750 CE LYS A 115 13.697 -1.932 8.912 1.00 0.00 C ATOM 1751 NZ LYS A 115 13.147 -1.888 10.286 1.00 0.00 N ATOM 0 H LYS A 115 13.876 -3.787 5.930 1.00 0.00 H new ATOM 0 HA LYS A 115 13.925 -1.192 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.973 -2.483 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.103 -1.366 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.733 0.483 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.253 -0.443 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.116 -0.308 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.443 0.208 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.941 -2.311 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.539 -2.623 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.145 -2.846 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.735 -1.265 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.174 -1.522 10.259 1.00 0.00 H new ATOM 1765 N LYS A 116 16.250 -3.405 4.010 1.00 0.00 N ATOM 1766 CA LYS A 116 17.323 -3.731 3.087 1.00 0.00 C ATOM 1767 C LYS A 116 16.773 -3.753 1.659 1.00 0.00 C ATOM 1768 O LYS A 116 17.537 -3.778 0.696 1.00 0.00 O ATOM 1769 CB LYS A 116 18.008 -5.035 3.501 1.00 0.00 C ATOM 1770 CG LYS A 116 17.177 -6.249 3.082 1.00 0.00 C ATOM 1771 CD LYS A 116 17.931 -7.104 2.061 1.00 0.00 C ATOM 1772 CE LYS A 116 16.993 -7.595 0.957 1.00 0.00 C ATOM 1773 NZ LYS A 116 17.731 -8.431 -0.016 1.00 0.00 N ATOM 0 H LYS A 116 16.017 -4.145 4.672 1.00 0.00 H new ATOM 0 HA LYS A 116 18.098 -2.966 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 116 18.996 -5.091 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 116 18.155 -5.046 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.937 -6.850 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.231 -5.917 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 116 18.742 -6.522 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 116 18.387 -7.958 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.177 -8.170 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.545 -6.743 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 17.087 -8.728 -0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.516 -7.882 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.109 -9.272 0.465 1.00 0.00 H new ATOM 1787 N SER A 117 15.451 -3.741 1.568 1.00 0.00 N ATOM 1788 CA SER A 117 14.790 -3.759 0.274 1.00 0.00 C ATOM 1789 C SER A 117 14.382 -2.339 -0.125 1.00 0.00 C ATOM 1790 O SER A 117 14.149 -2.065 -1.301 1.00 0.00 O ATOM 1791 CB SER A 117 13.566 -4.677 0.294 1.00 0.00 C ATOM 1792 OG SER A 117 13.556 -5.577 -0.810 1.00 0.00 O ATOM 0 H SER A 117 14.820 -3.719 2.369 1.00 0.00 H new ATOM 0 HA SER A 117 15.492 -4.149 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.554 -5.245 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.659 -4.073 0.277 1.00 0.00 H new ATOM 0 HG SER A 117 13.381 -5.080 -1.636 1.00 0.00 H new ATOM 1798 N LEU A 118 14.311 -1.475 0.877 1.00 0.00 N ATOM 1799 CA LEU A 118 13.935 -0.091 0.645 1.00 0.00 C ATOM 1800 C LEU A 118 15.075 0.627 -0.082 1.00 0.00 C ATOM 1801 O LEU A 118 14.844 1.598 -0.800 1.00 0.00 O ATOM 1802 CB LEU A 118 13.524 0.580 1.957 1.00 0.00 C ATOM 1803 CG LEU A 118 12.074 0.365 2.394 1.00 0.00 C ATOM 1804 CD1 LEU A 118 11.998 -0.005 3.876 1.00 0.00 C ATOM 1805 CD2 LEU A 118 11.214 1.587 2.063 1.00 0.00 C ATOM 0 H LEU A 118 14.507 -1.707 1.851 1.00 0.00 H new ATOM 0 HA LEU A 118 13.059 -0.037 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.179 0.217 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.700 1.652 1.865 1.00 0.00 H new ATOM 0 HG LEU A 118 11.668 -0.476 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.956 -0.152 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.556 -0.925 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.428 0.799 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.188 1.408 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.609 2.461 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.232 1.764 0.988 1.00 0.00 H new ATOM 1817 N ASN A 119 16.281 0.121 0.130 1.00 0.00 N ATOM 1818 CA ASN A 119 17.457 0.701 -0.496 1.00 0.00 C ATOM 1819 C ASN A 119 17.735 -0.020 -1.816 1.00 0.00 C ATOM 1820 O ASN A 119 18.366 0.539 -2.711 1.00 0.00 O ATOM 1821 CB ASN A 119 18.690 0.544 0.397 1.00 0.00 C ATOM 1822 CG ASN A 119 19.202 -0.897 0.376 1.00 0.00 C ATOM 1823 OD1 ASN A 119 18.831 -1.618 1.430 1.00 0.00 O flip ATOM 1824 ND2 ASN A 119 19.890 -1.326 -0.536 1.00 0.00 N flip ATOM 0 H ASN A 119 16.469 -0.685 0.727 1.00 0.00 H new ATOM 0 HA ASN A 119 17.263 1.761 -0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 119 19.477 1.218 0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 119 18.442 0.831 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 119 20.139 -0.718 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 119 20.216 -2.292 -0.518 1.00 0.00 H new