USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 18 CYS SG : rot 165:sc= -8.81! USER MOD Set 1.2: A 77 TYR OH : rot 33:sc= -5.07! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 87:sc= -4.37! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.57! C(o=-1.6!,f=-5.8!) USER MOD Single : A 22 SER OG : rot -151:sc= -0.337! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.421) USER MOD Single : A 27 HIS : no HE2:sc= -8.96! C(o=-9!,f=-13!) USER MOD Single : A 35 HIS : no HD1:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 36:sc= -2.87! USER MOD Single : A 65 TYR OH : rot 180:sc= -1.64! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -2.45! C(o=-3.6!,f=-2.4!) USER MOD Single : A 82 THR OG1 : rot 20:sc= -6.8! USER MOD Single : A 87 ASN :FLIP amide:sc= -1.61 F(o=-2.8!,f=-1.6) USER MOD Single : A 89 ASN : amide:sc= -0.999 X(o=-1,f=-0.99) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0115) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -15.240 -10.173 -0.568 1.00 0.00 N ATOM 14 CA ASP A 2 -13.841 -10.305 -0.081 1.00 0.00 C ATOM 15 C ASP A 2 -13.543 -9.319 1.073 1.00 0.00 C ATOM 16 O ASP A 2 -12.496 -8.711 1.108 1.00 0.00 O ATOM 17 CB ASP A 2 -12.901 -10.034 -1.256 1.00 0.00 C ATOM 18 CG ASP A 2 -11.477 -9.986 -0.746 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.249 -10.507 0.330 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.635 -9.435 -1.435 1.00 0.00 O ATOM 0 HA ASP A 2 -13.693 -11.312 0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.005 -10.815 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.161 -9.091 -1.736 1.00 0.00 H new ATOM 25 N PRO A 3 -14.438 -9.209 2.024 1.00 0.00 N ATOM 26 CA PRO A 3 -14.212 -8.341 3.191 1.00 0.00 C ATOM 27 C PRO A 3 -13.256 -9.049 4.158 1.00 0.00 C ATOM 28 O PRO A 3 -12.947 -8.553 5.223 1.00 0.00 O ATOM 29 CB PRO A 3 -15.599 -8.206 3.819 1.00 0.00 C ATOM 30 CG PRO A 3 -16.406 -9.433 3.340 1.00 0.00 C ATOM 31 CD PRO A 3 -15.739 -9.906 2.035 1.00 0.00 C ATOM 0 HA PRO A 3 -13.773 -7.375 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.534 -8.183 4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.079 -7.278 3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.395 -10.223 4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.450 -9.170 3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.612 -10.988 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.339 -9.645 1.163 1.00 0.00 H new ATOM 39 N GLU A 4 -12.814 -10.230 3.801 1.00 0.00 N ATOM 40 CA GLU A 4 -11.914 -11.001 4.700 1.00 0.00 C ATOM 41 C GLU A 4 -10.717 -11.557 3.929 1.00 0.00 C ATOM 42 O GLU A 4 -9.986 -12.390 4.429 1.00 0.00 O ATOM 43 CB GLU A 4 -12.702 -12.176 5.248 1.00 0.00 C ATOM 44 CG GLU A 4 -12.412 -12.354 6.739 1.00 0.00 C ATOM 45 CD GLU A 4 -12.828 -13.760 7.175 1.00 0.00 C ATOM 46 OE1 GLU A 4 -12.597 -14.687 6.416 1.00 0.00 O ATOM 47 OE2 GLU A 4 -13.369 -13.886 8.260 1.00 0.00 O ATOM 0 H GLU A 4 -13.042 -10.691 2.920 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.553 -10.345 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.769 -12.012 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.438 -13.085 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.351 -12.200 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.955 -11.607 7.318 1.00 0.00 H new ATOM 54 N LYS A 5 -10.506 -11.123 2.723 1.00 0.00 N ATOM 55 CA LYS A 5 -9.357 -11.651 1.947 1.00 0.00 C ATOM 56 C LYS A 5 -8.855 -10.547 1.036 1.00 0.00 C ATOM 57 O LYS A 5 -8.421 -10.782 -0.076 1.00 0.00 O ATOM 58 CB LYS A 5 -9.806 -12.854 1.117 1.00 0.00 C ATOM 59 CG LYS A 5 -9.340 -14.143 1.795 1.00 0.00 C ATOM 60 CD LYS A 5 -10.556 -14.966 2.225 1.00 0.00 C ATOM 61 CE LYS A 5 -10.116 -16.390 2.568 1.00 0.00 C ATOM 62 NZ LYS A 5 -10.959 -16.917 3.678 1.00 0.00 N ATOM 0 H LYS A 5 -11.077 -10.428 2.242 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.560 -11.972 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.891 -12.855 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.393 -12.790 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.720 -14.722 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.723 -13.907 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.033 -14.504 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.296 -14.986 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.208 -17.031 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.066 -16.397 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.660 -17.885 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.850 -16.310 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.956 -16.924 3.383 1.00 0.00 H new ATOM 76 N SER A 6 -8.920 -9.339 1.505 1.00 0.00 N ATOM 77 CA SER A 6 -8.456 -8.198 0.674 1.00 0.00 C ATOM 78 C SER A 6 -7.245 -7.571 1.345 1.00 0.00 C ATOM 79 O SER A 6 -7.334 -7.022 2.423 1.00 0.00 O ATOM 80 CB SER A 6 -9.543 -7.132 0.582 1.00 0.00 C ATOM 81 OG SER A 6 -10.731 -7.694 0.056 1.00 0.00 O ATOM 0 H SER A 6 -9.274 -9.090 2.428 1.00 0.00 H new ATOM 0 HA SER A 6 -8.214 -8.563 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.736 -6.712 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.207 -6.312 -0.053 1.00 0.00 H new ATOM 0 HG SER A 6 -11.262 -8.078 0.785 1.00 0.00 H new ATOM 87 N TYR A 7 -6.112 -7.654 0.723 1.00 0.00 N ATOM 88 CA TYR A 7 -4.888 -7.060 1.341 1.00 0.00 C ATOM 89 C TYR A 7 -4.052 -6.328 0.289 1.00 0.00 C ATOM 90 O TYR A 7 -3.954 -6.745 -0.848 1.00 0.00 O ATOM 91 CB TYR A 7 -4.045 -8.166 1.980 1.00 0.00 C ATOM 92 CG TYR A 7 -4.222 -9.456 1.215 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.427 -10.165 1.307 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.182 -9.945 0.417 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.590 -11.362 0.600 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.344 -11.142 -0.290 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.549 -11.851 -0.198 1.00 0.00 C ATOM 98 OH TYR A 7 -4.709 -13.033 -0.894 1.00 0.00 O ATOM 0 H TYR A 7 -5.972 -8.103 -0.182 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.198 -6.345 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.994 -7.877 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.341 -8.306 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.230 -9.788 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.253 -9.398 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.519 -11.908 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.541 -11.519 -0.906 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.892 -13.228 -1.399 1.00 0.00 H new ATOM 108 N ALA A 8 -3.432 -5.243 0.674 1.00 0.00 N ATOM 109 CA ALA A 8 -2.580 -4.477 -0.280 1.00 0.00 C ATOM 110 C ALA A 8 -1.150 -4.460 0.252 1.00 0.00 C ATOM 111 O ALA A 8 -0.901 -4.024 1.358 1.00 0.00 O ATOM 112 CB ALA A 8 -3.090 -3.041 -0.399 1.00 0.00 C ATOM 0 H ALA A 8 -3.481 -4.853 1.615 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.615 -4.948 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.462 -2.489 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.118 -3.049 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.055 -2.560 0.579 1.00 0.00 H new ATOM 118 N GLU A 9 -0.207 -4.940 -0.509 1.00 0.00 N ATOM 119 CA GLU A 9 1.195 -4.949 -0.004 1.00 0.00 C ATOM 120 C GLU A 9 2.162 -4.592 -1.130 1.00 0.00 C ATOM 121 O GLU A 9 1.994 -4.988 -2.271 1.00 0.00 O ATOM 122 CB GLU A 9 1.529 -6.343 0.532 1.00 0.00 C ATOM 123 CG GLU A 9 0.809 -7.398 -0.310 1.00 0.00 C ATOM 124 CD GLU A 9 1.195 -8.794 0.181 1.00 0.00 C ATOM 125 OE1 GLU A 9 1.719 -8.890 1.279 1.00 0.00 O ATOM 126 OE2 GLU A 9 0.963 -9.743 -0.549 1.00 0.00 O ATOM 0 H GLU A 9 -0.342 -5.321 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 9 1.293 -4.212 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.606 -6.509 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.225 -6.426 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.270 -7.261 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.076 -7.284 -1.361 1.00 0.00 H new ATOM 133 N GLY A 10 3.174 -3.835 -0.815 1.00 0.00 N ATOM 134 CA GLY A 10 4.162 -3.449 -1.851 1.00 0.00 C ATOM 135 C GLY A 10 5.438 -2.943 -1.186 1.00 0.00 C ATOM 136 O GLY A 10 5.491 -2.789 0.019 1.00 0.00 O ATOM 0 H GLY A 10 3.358 -3.467 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.388 -4.304 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.744 -2.674 -2.494 1.00 0.00 H new ATOM 140 N PRO A 11 6.417 -2.651 -2.002 1.00 0.00 N ATOM 141 CA PRO A 11 7.695 -2.099 -1.534 1.00 0.00 C ATOM 142 C PRO A 11 7.516 -0.599 -1.264 1.00 0.00 C ATOM 143 O PRO A 11 8.456 0.111 -0.964 1.00 0.00 O ATOM 144 CB PRO A 11 8.643 -2.337 -2.712 1.00 0.00 C ATOM 145 CG PRO A 11 7.749 -2.479 -3.968 1.00 0.00 C ATOM 146 CD PRO A 11 6.342 -2.851 -3.464 1.00 0.00 C ATOM 0 HA PRO A 11 8.066 -2.549 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.341 -1.507 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.239 -3.236 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.725 -1.548 -4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.138 -3.248 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.577 -2.218 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.089 -3.882 -3.713 1.00 0.00 H new ATOM 154 N GLY A 12 6.301 -0.117 -1.378 1.00 0.00 N ATOM 155 CA GLY A 12 6.021 1.324 -1.145 1.00 0.00 C ATOM 156 C GLY A 12 5.060 1.468 0.032 1.00 0.00 C ATOM 157 O GLY A 12 4.328 0.556 0.325 1.00 0.00 O ATOM 0 H GLY A 12 5.484 -0.674 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.949 1.858 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.588 1.771 -2.040 1.00 0.00 H new ATOM 161 N LEU A 13 5.062 2.614 0.682 1.00 0.00 N ATOM 162 CA LEU A 13 4.143 2.882 1.847 1.00 0.00 C ATOM 163 C LEU A 13 4.840 2.585 3.168 1.00 0.00 C ATOM 164 O LEU A 13 4.513 3.149 4.190 1.00 0.00 O ATOM 165 CB LEU A 13 2.833 2.084 1.721 1.00 0.00 C ATOM 166 CG LEU A 13 2.685 1.001 2.817 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.219 0.633 2.937 1.00 0.00 C ATOM 168 CD2 LEU A 13 3.475 -0.263 2.457 1.00 0.00 C ATOM 0 H LEU A 13 5.677 3.394 0.449 1.00 0.00 H new ATOM 0 HA LEU A 13 3.886 3.941 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.988 2.770 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.794 1.610 0.740 1.00 0.00 H new ATOM 0 HG LEU A 13 3.072 1.400 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.097 -0.130 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.643 1.517 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.862 0.246 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.352 -1.006 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.104 -0.668 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.531 -0.015 2.354 1.00 0.00 H new ATOM 180 N ASP A 14 5.792 1.716 3.156 1.00 0.00 N ATOM 181 CA ASP A 14 6.512 1.399 4.422 1.00 0.00 C ATOM 182 C ASP A 14 6.989 2.705 5.045 1.00 0.00 C ATOM 183 O ASP A 14 7.264 2.789 6.226 1.00 0.00 O ATOM 184 CB ASP A 14 7.732 0.547 4.118 1.00 0.00 C ATOM 185 CG ASP A 14 7.397 -0.472 3.027 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.404 -0.093 1.867 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.137 -1.613 3.370 1.00 0.00 O ATOM 0 H ASP A 14 6.110 1.207 2.332 1.00 0.00 H new ATOM 0 HA ASP A 14 5.845 0.863 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.558 1.181 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.061 0.032 5.021 1.00 0.00 H new ATOM 192 N GLY A 15 7.089 3.722 4.242 1.00 0.00 N ATOM 193 CA GLY A 15 7.553 5.048 4.751 1.00 0.00 C ATOM 194 C GLY A 15 9.075 5.117 4.767 1.00 0.00 C ATOM 195 O GLY A 15 9.740 4.853 3.785 1.00 0.00 O ATOM 0 H GLY A 15 6.869 3.696 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.155 5.844 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.166 5.213 5.757 1.00 0.00 H new ATOM 199 N GLY A 16 9.625 5.469 5.895 1.00 0.00 N ATOM 200 CA GLY A 16 11.109 5.563 6.020 1.00 0.00 C ATOM 201 C GLY A 16 11.676 6.682 5.152 1.00 0.00 C ATOM 202 O GLY A 16 12.290 7.605 5.650 1.00 0.00 O ATOM 0 H GLY A 16 9.107 5.698 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.376 5.739 7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.560 4.614 5.731 1.00 0.00 H new ATOM 206 N GLU A 17 11.521 6.603 3.860 1.00 0.00 N ATOM 207 CA GLU A 17 12.109 7.666 3.003 1.00 0.00 C ATOM 208 C GLU A 17 11.099 8.215 1.997 1.00 0.00 C ATOM 209 O GLU A 17 10.297 7.500 1.429 1.00 0.00 O ATOM 210 CB GLU A 17 13.282 7.093 2.229 1.00 0.00 C ATOM 211 CG GLU A 17 14.512 7.015 3.136 1.00 0.00 C ATOM 212 CD GLU A 17 14.357 5.841 4.106 1.00 0.00 C ATOM 213 OE1 GLU A 17 13.538 4.979 3.835 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.061 5.825 5.103 1.00 0.00 O ATOM 0 H GLU A 17 11.022 5.862 3.368 1.00 0.00 H new ATOM 0 HA GLU A 17 12.423 8.478 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.032 6.101 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.497 7.717 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.413 6.888 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.628 7.946 3.691 1.00 0.00 H new ATOM 221 N CYS A 18 11.161 9.494 1.779 1.00 0.00 N ATOM 222 CA CYS A 18 10.231 10.157 0.801 1.00 0.00 C ATOM 223 C CYS A 18 10.853 10.123 -0.595 1.00 0.00 C ATOM 224 O CYS A 18 10.176 10.288 -1.591 1.00 0.00 O ATOM 225 CB CYS A 18 10.011 11.634 1.161 1.00 0.00 C ATOM 226 SG CYS A 18 8.559 11.815 2.235 1.00 0.00 S ATOM 0 H CYS A 18 11.820 10.124 2.236 1.00 0.00 H new ATOM 0 HA CYS A 18 9.282 9.621 0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.894 12.028 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.874 12.220 0.252 1.00 0.00 H new ATOM 0 HG CYS A 18 8.575 12.989 2.792 1.00 0.00 H new ATOM 232 N PHE A 19 12.139 9.945 -0.674 1.00 0.00 N ATOM 233 CA PHE A 19 12.806 9.942 -2.006 1.00 0.00 C ATOM 234 C PHE A 19 12.814 8.540 -2.590 1.00 0.00 C ATOM 235 O PHE A 19 13.422 8.278 -3.609 1.00 0.00 O ATOM 236 CB PHE A 19 14.223 10.483 -1.861 1.00 0.00 C ATOM 237 CG PHE A 19 14.101 11.973 -1.725 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.314 12.499 -0.699 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.726 12.824 -2.641 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.152 13.876 -0.581 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.557 14.207 -2.526 1.00 0.00 C ATOM 242 CZ PHE A 19 13.768 14.727 -1.491 1.00 0.00 C ATOM 0 H PHE A 19 12.758 9.801 0.124 1.00 0.00 H new ATOM 0 HA PHE A 19 12.253 10.584 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.714 10.053 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.828 10.221 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.830 11.837 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.336 12.415 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.548 14.283 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.032 14.872 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.638 15.795 -1.400 1.00 0.00 H new ATOM 252 N GLN A 20 12.096 7.651 -1.981 1.00 0.00 N ATOM 253 CA GLN A 20 12.001 6.282 -2.524 1.00 0.00 C ATOM 254 C GLN A 20 10.685 6.222 -3.289 1.00 0.00 C ATOM 255 O GLN A 20 9.768 6.955 -2.978 1.00 0.00 O ATOM 256 CB GLN A 20 11.984 5.269 -1.376 1.00 0.00 C ATOM 257 CG GLN A 20 13.145 4.286 -1.537 1.00 0.00 C ATOM 258 CD GLN A 20 12.627 2.856 -1.374 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.022 2.312 -2.275 1.00 0.00 O ATOM 260 NE2 GLN A 20 12.839 2.221 -0.254 1.00 0.00 N ATOM 0 H GLN A 20 11.568 7.816 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 20 12.848 6.045 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.064 5.787 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.037 4.730 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.606 4.408 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.916 4.492 -0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.347 2.678 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.496 1.268 -0.136 1.00 0.00 H new ATOM 269 N PRO A 21 10.614 5.368 -4.262 1.00 0.00 N ATOM 270 CA PRO A 21 9.398 5.230 -5.066 1.00 0.00 C ATOM 271 C PRO A 21 8.328 4.553 -4.219 1.00 0.00 C ATOM 272 O PRO A 21 8.567 3.519 -3.627 1.00 0.00 O ATOM 273 CB PRO A 21 9.841 4.359 -6.247 1.00 0.00 C ATOM 274 CG PRO A 21 11.112 3.612 -5.779 1.00 0.00 C ATOM 275 CD PRO A 21 11.711 4.453 -4.635 1.00 0.00 C ATOM 0 HA PRO A 21 8.970 6.172 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.057 3.656 -6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.050 4.970 -7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.868 2.607 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.824 3.506 -6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.014 3.828 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.596 5.000 -4.961 1.00 0.00 H new ATOM 283 N SER A 22 7.155 5.119 -4.128 1.00 0.00 N ATOM 284 CA SER A 22 6.128 4.474 -3.286 1.00 0.00 C ATOM 285 C SER A 22 5.115 3.795 -4.193 1.00 0.00 C ATOM 286 O SER A 22 4.355 4.441 -4.880 1.00 0.00 O ATOM 287 CB SER A 22 5.441 5.556 -2.485 1.00 0.00 C ATOM 288 OG SER A 22 5.309 5.130 -1.135 1.00 0.00 O ATOM 0 H SER A 22 6.874 5.982 -4.593 1.00 0.00 H new ATOM 0 HA SER A 22 6.573 3.735 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.017 6.480 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.460 5.770 -2.908 1.00 0.00 H new ATOM 0 HG SER A 22 4.518 5.549 -0.736 1.00 0.00 H new ATOM 294 N LYS A 23 5.110 2.490 -4.204 1.00 0.00 N ATOM 295 CA LYS A 23 4.159 1.758 -5.072 1.00 0.00 C ATOM 296 C LYS A 23 3.835 0.398 -4.461 1.00 0.00 C ATOM 297 O LYS A 23 4.705 -0.314 -4.002 1.00 0.00 O ATOM 298 CB LYS A 23 4.801 1.525 -6.434 1.00 0.00 C ATOM 299 CG LYS A 23 5.619 2.749 -6.853 1.00 0.00 C ATOM 300 CD LYS A 23 5.949 2.655 -8.344 1.00 0.00 C ATOM 301 CE LYS A 23 6.889 3.797 -8.735 1.00 0.00 C ATOM 302 NZ LYS A 23 6.374 4.470 -9.962 1.00 0.00 N ATOM 0 H LYS A 23 5.728 1.902 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 23 3.247 2.347 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.444 0.646 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.030 1.323 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.058 3.661 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.538 2.803 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.416 1.695 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.033 2.706 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.965 4.515 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.892 3.411 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.014 5.246 -10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.324 3.782 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.425 4.852 -9.776 1.00 0.00 H new ATOM 316 N PHE A 24 2.589 0.028 -4.467 1.00 0.00 N ATOM 317 CA PHE A 24 2.197 -1.297 -3.902 1.00 0.00 C ATOM 318 C PHE A 24 1.120 -1.925 -4.779 1.00 0.00 C ATOM 319 O PHE A 24 0.431 -1.246 -5.522 1.00 0.00 O ATOM 320 CB PHE A 24 1.662 -1.173 -2.467 1.00 0.00 C ATOM 321 CG PHE A 24 1.655 0.262 -2.035 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.863 0.944 -1.912 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.448 0.909 -1.756 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.873 2.277 -1.512 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.458 2.246 -1.354 1.00 0.00 C ATOM 326 CZ PHE A 24 1.674 2.927 -1.234 1.00 0.00 C ATOM 0 H PHE A 24 1.820 0.585 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 24 3.089 -1.923 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.653 -1.581 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.281 -1.761 -1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.793 0.438 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.487 0.378 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.810 2.806 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.470 2.753 -1.136 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.683 3.962 -0.924 1.00 0.00 H new ATOM 336 N LYS A 25 0.964 -3.219 -4.694 1.00 0.00 N ATOM 337 CA LYS A 25 -0.071 -3.897 -5.517 1.00 0.00 C ATOM 338 C LYS A 25 -1.127 -4.462 -4.576 1.00 0.00 C ATOM 339 O LYS A 25 -0.822 -4.942 -3.500 1.00 0.00 O ATOM 340 CB LYS A 25 0.568 -5.037 -6.315 1.00 0.00 C ATOM 341 CG LYS A 25 1.487 -4.456 -7.389 1.00 0.00 C ATOM 342 CD LYS A 25 2.914 -4.369 -6.845 1.00 0.00 C ATOM 343 CE LYS A 25 3.689 -3.296 -7.611 1.00 0.00 C ATOM 344 NZ LYS A 25 3.831 -2.082 -6.758 1.00 0.00 N ATOM 0 H LYS A 25 1.510 -3.833 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.522 -3.191 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.135 -5.688 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.206 -5.650 -6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.464 -5.082 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.138 -3.467 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.895 -4.129 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.412 -5.333 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.672 -3.673 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.168 -3.045 -8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.582 -1.474 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.933 -1.558 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.077 -2.366 -5.788 1.00 0.00 H new ATOM 358 N ILE A 26 -2.372 -4.379 -4.949 1.00 0.00 N ATOM 359 CA ILE A 26 -3.436 -4.880 -4.049 1.00 0.00 C ATOM 360 C ILE A 26 -4.032 -6.165 -4.602 1.00 0.00 C ATOM 361 O ILE A 26 -4.046 -6.400 -5.792 1.00 0.00 O ATOM 362 CB ILE A 26 -4.509 -3.809 -3.912 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.807 -2.449 -3.792 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.355 -4.095 -2.666 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.707 -1.448 -3.074 1.00 0.00 C ATOM 0 H ILE A 26 -2.694 -3.988 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.015 -5.099 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.170 -3.804 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.871 -2.563 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.554 -2.074 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.124 -3.330 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.826 -5.073 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.716 -4.086 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.195 -0.489 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.632 -1.322 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.938 -1.818 -2.075 1.00 0.00 H new ATOM 377 N HIS A 27 -4.500 -7.009 -3.733 1.00 0.00 N ATOM 378 CA HIS A 27 -5.074 -8.303 -4.186 1.00 0.00 C ATOM 379 C HIS A 27 -6.363 -8.608 -3.420 1.00 0.00 C ATOM 380 O HIS A 27 -6.362 -8.767 -2.211 1.00 0.00 O ATOM 381 CB HIS A 27 -4.075 -9.443 -3.924 1.00 0.00 C ATOM 382 CG HIS A 27 -2.721 -8.875 -3.604 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.087 -7.982 -4.447 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.887 -9.030 -2.524 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.931 -7.629 -3.867 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.756 -8.240 -2.693 1.00 0.00 N ATOM 0 H HIS A 27 -4.511 -6.859 -2.724 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.285 -8.227 -5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.424 -10.061 -3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.010 -10.089 -4.799 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.435 -7.652 -5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.080 -9.668 -1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.226 -6.934 -4.298 1.00 0.00 H new ATOM 394 N ALA A 28 -7.457 -8.698 -4.118 1.00 0.00 N ATOM 395 CA ALA A 28 -8.749 -9.012 -3.447 1.00 0.00 C ATOM 396 C ALA A 28 -9.129 -10.474 -3.725 1.00 0.00 C ATOM 397 O ALA A 28 -8.977 -10.956 -4.825 1.00 0.00 O ATOM 398 CB ALA A 28 -9.839 -8.093 -4.004 1.00 0.00 C ATOM 0 H ALA A 28 -7.514 -8.567 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.650 -8.860 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.788 -8.317 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.571 -7.054 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.936 -8.253 -5.078 1.00 0.00 H new ATOM 404 N VAL A 29 -9.630 -11.182 -2.742 1.00 0.00 N ATOM 405 CA VAL A 29 -10.030 -12.599 -2.972 1.00 0.00 C ATOM 406 C VAL A 29 -11.456 -12.790 -2.444 1.00 0.00 C ATOM 407 O VAL A 29 -11.775 -12.440 -1.328 1.00 0.00 O ATOM 408 CB VAL A 29 -9.043 -13.547 -2.265 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.775 -14.756 -1.665 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.024 -14.046 -3.290 1.00 0.00 C ATOM 0 H VAL A 29 -9.778 -10.838 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.006 -12.833 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.551 -13.003 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.055 -15.409 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.510 -14.412 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.280 -15.306 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.318 -14.719 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.541 -14.578 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.485 -13.197 -3.710 1.00 0.00 H new ATOM 420 N ASP A 30 -12.309 -13.342 -3.250 1.00 0.00 N ATOM 421 CA ASP A 30 -13.717 -13.559 -2.827 1.00 0.00 C ATOM 422 C ASP A 30 -13.938 -15.066 -2.636 1.00 0.00 C ATOM 423 O ASP A 30 -12.996 -15.831 -2.706 1.00 0.00 O ATOM 424 CB ASP A 30 -14.634 -12.975 -3.909 1.00 0.00 C ATOM 425 CG ASP A 30 -14.969 -14.031 -4.968 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.064 -14.744 -5.369 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.122 -14.109 -5.357 1.00 0.00 O ATOM 0 H ASP A 30 -12.091 -13.657 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.941 -13.063 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.553 -12.607 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.148 -12.121 -4.381 1.00 0.00 H new ATOM 432 N PRO A 31 -15.159 -15.455 -2.386 1.00 0.00 N ATOM 433 CA PRO A 31 -15.496 -16.869 -2.166 1.00 0.00 C ATOM 434 C PRO A 31 -15.598 -17.637 -3.491 1.00 0.00 C ATOM 435 O PRO A 31 -16.189 -18.697 -3.547 1.00 0.00 O ATOM 436 CB PRO A 31 -16.851 -16.808 -1.457 1.00 0.00 C ATOM 437 CG PRO A 31 -17.468 -15.432 -1.808 1.00 0.00 C ATOM 438 CD PRO A 31 -16.313 -14.537 -2.296 1.00 0.00 C ATOM 0 HA PRO A 31 -14.737 -17.396 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.499 -17.620 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.730 -16.916 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.230 -15.536 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.955 -14.994 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.539 -14.085 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.120 -13.721 -1.600 1.00 0.00 H new ATOM 446 N ASP A 32 -15.028 -17.131 -4.558 1.00 0.00 N ATOM 447 CA ASP A 32 -15.112 -17.873 -5.847 1.00 0.00 C ATOM 448 C ASP A 32 -13.702 -18.247 -6.310 1.00 0.00 C ATOM 449 O ASP A 32 -13.501 -18.692 -7.423 1.00 0.00 O ATOM 450 CB ASP A 32 -15.784 -16.989 -6.899 1.00 0.00 C ATOM 451 CG ASP A 32 -17.210 -16.663 -6.451 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.564 -17.039 -5.345 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.924 -16.044 -7.222 1.00 0.00 O ATOM 0 H ASP A 32 -14.516 -16.249 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.700 -18.781 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.214 -16.070 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.801 -17.499 -7.862 1.00 0.00 H new ATOM 458 N GLY A 33 -12.719 -18.043 -5.473 1.00 0.00 N ATOM 459 CA GLY A 33 -11.322 -18.357 -5.871 1.00 0.00 C ATOM 460 C GLY A 33 -10.896 -17.268 -6.835 1.00 0.00 C ATOM 461 O GLY A 33 -10.160 -17.490 -7.777 1.00 0.00 O ATOM 0 H GLY A 33 -12.827 -17.671 -4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.667 -18.383 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.264 -19.338 -6.343 1.00 0.00 H new ATOM 465 N VAL A 34 -11.406 -16.090 -6.618 1.00 0.00 N ATOM 466 CA VAL A 34 -11.102 -14.963 -7.526 1.00 0.00 C ATOM 467 C VAL A 34 -11.173 -13.652 -6.746 1.00 0.00 C ATOM 468 O VAL A 34 -11.505 -13.630 -5.579 1.00 0.00 O ATOM 469 CB VAL A 34 -12.165 -14.940 -8.624 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.559 -14.381 -9.907 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.677 -16.364 -8.877 1.00 0.00 C ATOM 0 H VAL A 34 -12.026 -15.862 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.106 -15.080 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.996 -14.309 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.317 -14.364 -10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.200 -13.368 -9.728 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.727 -15.011 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.435 -16.344 -9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.848 -16.999 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.113 -16.762 -7.961 1.00 0.00 H new ATOM 481 N HIS A 35 -10.896 -12.555 -7.392 1.00 0.00 N ATOM 482 CA HIS A 35 -10.985 -11.250 -6.689 1.00 0.00 C ATOM 483 C HIS A 35 -12.405 -10.714 -6.871 1.00 0.00 C ATOM 484 O HIS A 35 -12.635 -9.732 -7.546 1.00 0.00 O ATOM 485 CB HIS A 35 -9.963 -10.272 -7.270 1.00 0.00 C ATOM 486 CG HIS A 35 -8.666 -10.995 -7.510 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.532 -10.774 -6.740 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.309 -11.940 -8.437 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.559 -11.573 -7.218 1.00 0.00 C ATOM 490 NE2 HIS A 35 -6.980 -12.303 -8.252 1.00 0.00 N ATOM 0 H HIS A 35 -10.613 -12.507 -8.371 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.766 -11.372 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.336 -9.850 -8.203 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.807 -9.440 -6.584 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.962 -12.342 -9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.559 -11.617 -6.813 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.442 -12.982 -8.791 1.00 0.00 H new ATOM 498 N ARG A 36 -13.356 -11.398 -6.289 1.00 0.00 N ATOM 499 CA ARG A 36 -14.791 -11.006 -6.405 1.00 0.00 C ATOM 500 C ARG A 36 -15.116 -10.709 -7.867 1.00 0.00 C ATOM 501 O ARG A 36 -15.233 -9.571 -8.275 1.00 0.00 O ATOM 502 CB ARG A 36 -15.098 -9.786 -5.520 1.00 0.00 C ATOM 503 CG ARG A 36 -14.177 -8.613 -5.859 1.00 0.00 C ATOM 504 CD ARG A 36 -14.723 -7.342 -5.205 1.00 0.00 C ATOM 505 NE ARG A 36 -16.136 -7.136 -5.631 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.036 -6.781 -4.755 1.00 0.00 C ATOM 507 NH1 ARG A 36 -16.767 -5.844 -3.888 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.206 -7.359 -4.750 1.00 0.00 N ATOM 0 H ARG A 36 -13.193 -12.232 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.415 -11.830 -6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.137 -9.487 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.978 -10.055 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.166 -8.814 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.116 -8.483 -6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.667 -7.425 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.116 -6.483 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.400 -7.272 -6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.854 -5.389 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.470 -5.566 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.417 -8.088 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.909 -7.081 -4.065 1.00 0.00 H new ATOM 522 N THR A 37 -15.260 -11.734 -8.665 1.00 0.00 N ATOM 523 CA THR A 37 -15.573 -11.506 -10.105 1.00 0.00 C ATOM 524 C THR A 37 -14.658 -10.401 -10.651 1.00 0.00 C ATOM 525 O THR A 37 -15.033 -9.246 -10.699 1.00 0.00 O ATOM 526 CB THR A 37 -17.033 -11.067 -10.245 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.768 -11.503 -9.110 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.631 -11.680 -11.511 1.00 0.00 C ATOM 0 H THR A 37 -15.175 -12.711 -8.385 1.00 0.00 H new ATOM 0 HA THR A 37 -15.414 -12.428 -10.665 1.00 0.00 H new ATOM 0 HB THR A 37 -17.082 -9.980 -10.313 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.703 -11.221 -9.197 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.670 -11.367 -11.611 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.066 -11.343 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.584 -12.767 -11.446 1.00 0.00 H new ATOM 536 N ASP A 38 -13.459 -10.735 -11.062 1.00 0.00 N ATOM 537 CA ASP A 38 -12.538 -9.693 -11.595 1.00 0.00 C ATOM 538 C ASP A 38 -13.296 -8.781 -12.560 1.00 0.00 C ATOM 539 O ASP A 38 -14.377 -9.102 -13.013 1.00 0.00 O ATOM 540 CB ASP A 38 -11.380 -10.368 -12.335 1.00 0.00 C ATOM 541 CG ASP A 38 -10.074 -9.641 -12.011 1.00 0.00 C ATOM 542 OD1 ASP A 38 -9.966 -8.476 -12.354 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.203 -10.265 -11.426 1.00 0.00 O ATOM 0 H ASP A 38 -13.082 -11.683 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.147 -9.099 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.308 -11.415 -12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.562 -10.350 -13.410 1.00 0.00 H new ATOM 548 N GLY A 39 -12.737 -7.646 -12.879 1.00 0.00 N ATOM 549 CA GLY A 39 -13.425 -6.714 -13.817 1.00 0.00 C ATOM 550 C GLY A 39 -14.378 -5.800 -13.040 1.00 0.00 C ATOM 551 O GLY A 39 -14.500 -4.627 -13.334 1.00 0.00 O ATOM 0 H GLY A 39 -11.834 -7.324 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.689 -6.115 -14.353 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.980 -7.281 -14.565 1.00 0.00 H new ATOM 555 N GLY A 40 -15.062 -6.321 -12.054 1.00 0.00 N ATOM 556 CA GLY A 40 -16.004 -5.469 -11.274 1.00 0.00 C ATOM 557 C GLY A 40 -15.739 -5.634 -9.773 1.00 0.00 C ATOM 558 O GLY A 40 -16.596 -6.069 -9.031 1.00 0.00 O ATOM 0 H GLY A 40 -15.008 -7.295 -11.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.884 -4.424 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.033 -5.746 -11.503 1.00 0.00 H new ATOM 562 N ASP A 41 -14.562 -5.290 -9.317 1.00 0.00 N ATOM 563 CA ASP A 41 -14.259 -5.428 -7.863 1.00 0.00 C ATOM 564 C ASP A 41 -14.475 -4.081 -7.170 1.00 0.00 C ATOM 565 O ASP A 41 -13.930 -3.074 -7.574 1.00 0.00 O ATOM 566 CB ASP A 41 -12.799 -5.861 -7.680 1.00 0.00 C ATOM 567 CG ASP A 41 -12.598 -7.263 -8.258 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.543 -7.792 -8.820 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.501 -7.781 -8.133 1.00 0.00 O ATOM 0 H ASP A 41 -13.801 -4.921 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.919 -6.178 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.135 -5.154 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.538 -5.853 -6.622 1.00 0.00 H new ATOM 574 N GLY A 42 -15.256 -4.052 -6.122 1.00 0.00 N ATOM 575 CA GLY A 42 -15.483 -2.766 -5.406 1.00 0.00 C ATOM 576 C GLY A 42 -14.182 -2.364 -4.716 1.00 0.00 C ATOM 577 O GLY A 42 -14.099 -2.301 -3.507 1.00 0.00 O ATOM 0 H GLY A 42 -15.743 -4.860 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.796 -1.992 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.283 -2.875 -4.674 1.00 0.00 H new ATOM 581 N PHE A 43 -13.155 -2.119 -5.483 1.00 0.00 N ATOM 582 CA PHE A 43 -11.841 -1.752 -4.888 1.00 0.00 C ATOM 583 C PHE A 43 -11.610 -0.243 -4.982 1.00 0.00 C ATOM 584 O PHE A 43 -11.497 0.316 -6.055 1.00 0.00 O ATOM 585 CB PHE A 43 -10.734 -2.465 -5.665 1.00 0.00 C ATOM 586 CG PHE A 43 -9.905 -3.330 -4.743 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.506 -2.859 -3.484 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.512 -4.603 -5.168 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.718 -3.672 -2.657 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.722 -5.409 -4.345 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.325 -4.945 -3.088 1.00 0.00 C ATOM 0 H PHE A 43 -13.171 -2.158 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.833 -2.048 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.173 -3.079 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.095 -1.730 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.804 -1.875 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.821 -4.965 -6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.413 -3.315 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.418 -6.390 -4.680 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.716 -5.568 -2.450 1.00 0.00 H new ATOM 601 N VAL A 44 -11.493 0.411 -3.863 1.00 0.00 N ATOM 602 CA VAL A 44 -11.217 1.875 -3.876 1.00 0.00 C ATOM 603 C VAL A 44 -9.993 2.122 -2.989 1.00 0.00 C ATOM 604 O VAL A 44 -10.024 1.907 -1.794 1.00 0.00 O ATOM 605 CB VAL A 44 -12.441 2.678 -3.373 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.328 1.815 -2.472 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.984 3.919 -2.586 1.00 0.00 C ATOM 0 H VAL A 44 -11.577 -0.005 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.020 2.212 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.014 2.989 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.181 2.402 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.683 0.950 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.752 1.478 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.857 4.472 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.388 3.607 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.382 4.558 -3.232 1.00 0.00 H new ATOM 617 N VAL A 45 -8.913 2.557 -3.573 1.00 0.00 N ATOM 618 CA VAL A 45 -7.683 2.802 -2.774 1.00 0.00 C ATOM 619 C VAL A 45 -7.278 4.262 -2.911 1.00 0.00 C ATOM 620 O VAL A 45 -7.572 4.910 -3.896 1.00 0.00 O ATOM 621 CB VAL A 45 -6.555 1.918 -3.291 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.477 1.773 -2.211 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.111 0.544 -3.660 1.00 0.00 C ATOM 0 H VAL A 45 -8.829 2.754 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.877 2.569 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.112 2.375 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.671 1.140 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.079 2.756 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.913 1.319 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.304 -0.088 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.558 0.084 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.869 0.655 -4.435 1.00 0.00 H new ATOM 633 N THR A 46 -6.603 4.786 -1.934 1.00 0.00 N ATOM 634 CA THR A 46 -6.183 6.205 -2.021 1.00 0.00 C ATOM 635 C THR A 46 -5.042 6.489 -1.044 1.00 0.00 C ATOM 636 O THR A 46 -5.130 6.219 0.138 1.00 0.00 O ATOM 637 CB THR A 46 -7.371 7.116 -1.699 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.396 6.357 -1.074 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.908 7.732 -2.992 1.00 0.00 C ATOM 0 H THR A 46 -6.325 4.297 -1.083 1.00 0.00 H new ATOM 0 HA THR A 46 -5.834 6.402 -3.035 1.00 0.00 H new ATOM 0 HB THR A 46 -7.047 7.910 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.155 6.941 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.754 8.380 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.122 8.316 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.232 6.939 -3.666 1.00 0.00 H new ATOM 647 N ILE A 47 -3.986 7.066 -1.537 1.00 0.00 N ATOM 648 CA ILE A 47 -2.836 7.425 -0.666 1.00 0.00 C ATOM 649 C ILE A 47 -2.605 8.917 -0.757 1.00 0.00 C ATOM 650 O ILE A 47 -2.934 9.548 -1.741 1.00 0.00 O ATOM 651 CB ILE A 47 -1.547 6.725 -1.121 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.468 5.323 -0.502 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.320 7.566 -0.702 1.00 0.00 C ATOM 654 CD1 ILE A 47 -0.034 5.067 -0.032 1.00 0.00 C ATOM 0 H ILE A 47 -3.869 7.308 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.072 7.113 0.351 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.554 6.628 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.159 5.242 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.765 4.571 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.592 7.066 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.378 8.551 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.307 7.676 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.032 4.073 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.645 5.132 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.244 5.814 0.712 1.00 0.00 H new ATOM 666 N GLU A 48 -1.991 9.479 0.234 1.00 0.00 N ATOM 667 CA GLU A 48 -1.692 10.924 0.139 1.00 0.00 C ATOM 668 C GLU A 48 -0.769 11.357 1.278 1.00 0.00 C ATOM 669 O GLU A 48 -0.748 10.779 2.349 1.00 0.00 O ATOM 670 CB GLU A 48 -2.987 11.750 0.179 1.00 0.00 C ATOM 671 CG GLU A 48 -4.170 10.873 0.604 1.00 0.00 C ATOM 672 CD GLU A 48 -5.254 11.748 1.235 1.00 0.00 C ATOM 673 OE1 GLU A 48 -5.666 12.702 0.594 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.656 11.450 2.347 1.00 0.00 O ATOM 0 H GLU A 48 -1.688 9.013 1.089 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.190 11.102 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.874 12.581 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.181 12.181 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.572 10.343 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.838 10.117 1.316 1.00 0.00 H new ATOM 681 N GLY A 49 -0.008 12.383 1.032 1.00 0.00 N ATOM 682 CA GLY A 49 0.936 12.908 2.055 1.00 0.00 C ATOM 683 C GLY A 49 1.204 14.383 1.746 1.00 0.00 C ATOM 684 O GLY A 49 0.523 14.971 0.931 1.00 0.00 O ATOM 0 H GLY A 49 0.000 12.890 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.513 12.800 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.867 12.341 2.040 1.00 0.00 H new ATOM 688 N PRO A 50 2.186 14.938 2.402 1.00 0.00 N ATOM 689 CA PRO A 50 2.560 16.348 2.207 1.00 0.00 C ATOM 690 C PRO A 50 3.317 16.509 0.885 1.00 0.00 C ATOM 691 O PRO A 50 4.514 16.714 0.863 1.00 0.00 O ATOM 692 CB PRO A 50 3.463 16.649 3.409 1.00 0.00 C ATOM 693 CG PRO A 50 4.000 15.285 3.902 1.00 0.00 C ATOM 694 CD PRO A 50 3.019 14.216 3.385 1.00 0.00 C ATOM 0 HA PRO A 50 1.707 17.024 2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.282 17.309 3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.905 17.155 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.006 15.104 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.060 15.262 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.546 13.381 2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.415 13.804 4.194 1.00 0.00 H new ATOM 702 N ALA A 51 2.625 16.404 -0.220 1.00 0.00 N ATOM 703 CA ALA A 51 3.301 16.539 -1.540 1.00 0.00 C ATOM 704 C ALA A 51 2.269 16.914 -2.612 1.00 0.00 C ATOM 705 O ALA A 51 1.093 17.020 -2.324 1.00 0.00 O ATOM 706 CB ALA A 51 3.953 15.204 -1.907 1.00 0.00 C ATOM 0 H ALA A 51 1.621 16.231 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 51 4.061 17.319 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.450 15.295 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.685 14.935 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.188 14.429 -1.964 1.00 0.00 H new ATOM 712 N PRO A 52 2.745 17.102 -3.817 1.00 0.00 N ATOM 713 CA PRO A 52 1.892 17.468 -4.965 1.00 0.00 C ATOM 714 C PRO A 52 1.145 16.239 -5.495 1.00 0.00 C ATOM 715 O PRO A 52 -0.066 16.229 -5.594 1.00 0.00 O ATOM 716 CB PRO A 52 2.889 17.994 -6.000 1.00 0.00 C ATOM 717 CG PRO A 52 4.264 17.386 -5.630 1.00 0.00 C ATOM 718 CD PRO A 52 4.180 16.972 -4.150 1.00 0.00 C ATOM 0 HA PRO A 52 1.124 18.199 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.593 17.702 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.929 19.083 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.489 16.526 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.062 18.112 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.532 15.951 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.795 17.616 -3.521 1.00 0.00 H new ATOM 726 N VAL A 53 1.859 15.200 -5.833 1.00 0.00 N ATOM 727 CA VAL A 53 1.195 13.970 -6.351 1.00 0.00 C ATOM 728 C VAL A 53 0.850 13.061 -5.168 1.00 0.00 C ATOM 729 O VAL A 53 1.504 12.065 -4.934 1.00 0.00 O ATOM 730 CB VAL A 53 2.152 13.233 -7.288 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.361 12.253 -8.158 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.869 14.246 -8.183 1.00 0.00 C ATOM 0 H VAL A 53 2.876 15.150 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 53 0.289 14.238 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 53 2.887 12.684 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.043 11.727 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.850 11.532 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.626 12.801 -8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.552 13.722 -8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.134 14.795 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.432 14.944 -7.564 1.00 0.00 H new ATOM 742 N ASP A 54 -0.155 13.402 -4.403 1.00 0.00 N ATOM 743 CA ASP A 54 -0.502 12.558 -3.227 1.00 0.00 C ATOM 744 C ASP A 54 -1.518 11.464 -3.609 1.00 0.00 C ATOM 745 O ASP A 54 -1.343 10.323 -3.233 1.00 0.00 O ATOM 746 CB ASP A 54 -1.067 13.448 -2.110 1.00 0.00 C ATOM 747 CG ASP A 54 0.038 14.370 -1.583 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.182 13.946 -1.570 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.281 15.484 -1.200 1.00 0.00 O ATOM 0 H ASP A 54 -0.745 14.222 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 54 0.402 12.061 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.900 14.040 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.457 12.831 -1.301 1.00 0.00 H new ATOM 754 N PRO A 55 -2.553 11.830 -4.332 1.00 0.00 N ATOM 755 CA PRO A 55 -3.603 10.874 -4.746 1.00 0.00 C ATOM 756 C PRO A 55 -3.177 10.093 -5.996 1.00 0.00 C ATOM 757 O PRO A 55 -3.301 10.575 -7.104 1.00 0.00 O ATOM 758 CB PRO A 55 -4.790 11.779 -5.079 1.00 0.00 C ATOM 759 CG PRO A 55 -4.201 13.172 -5.405 1.00 0.00 C ATOM 760 CD PRO A 55 -2.784 13.211 -4.802 1.00 0.00 C ATOM 0 HA PRO A 55 -3.819 10.131 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.351 11.387 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.482 11.837 -4.239 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.167 13.334 -6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.822 13.962 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.043 13.508 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.719 13.927 -3.983 1.00 0.00 H new ATOM 768 N VAL A 56 -2.675 8.896 -5.841 1.00 0.00 N ATOM 769 CA VAL A 56 -2.252 8.123 -7.030 1.00 0.00 C ATOM 770 C VAL A 56 -2.723 6.678 -6.928 1.00 0.00 C ATOM 771 O VAL A 56 -2.046 5.840 -6.366 1.00 0.00 O ATOM 772 CB VAL A 56 -0.748 8.101 -7.079 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.301 7.534 -8.430 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.199 9.519 -6.908 1.00 0.00 C ATOM 0 H VAL A 56 -2.543 8.428 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.680 8.590 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.366 7.476 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.788 7.514 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.687 6.521 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.685 8.162 -9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.890 9.494 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.575 10.154 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.521 9.920 -5.947 1.00 0.00 H new ATOM 784 N MET A 57 -3.850 6.361 -7.479 1.00 0.00 N ATOM 785 CA MET A 57 -4.307 4.949 -7.412 1.00 0.00 C ATOM 786 C MET A 57 -4.900 4.527 -8.758 1.00 0.00 C ATOM 787 O MET A 57 -5.639 5.258 -9.387 1.00 0.00 O ATOM 788 CB MET A 57 -5.323 4.781 -6.279 1.00 0.00 C ATOM 789 CG MET A 57 -6.643 5.453 -6.652 1.00 0.00 C ATOM 790 SD MET A 57 -6.541 7.223 -6.287 1.00 0.00 S ATOM 791 CE MET A 57 -7.457 7.806 -7.734 1.00 0.00 C ATOM 0 H MET A 57 -4.471 7.006 -7.968 1.00 0.00 H new ATOM 0 HA MET A 57 -3.456 4.302 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.488 3.722 -6.083 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.931 5.218 -5.361 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.855 5.300 -7.710 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.464 5.002 -6.094 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.517 8.894 -7.712 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.944 7.489 -8.642 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.463 7.387 -7.721 1.00 0.00 H new ATOM 801 N VAL A 58 -4.550 3.352 -9.215 1.00 0.00 N ATOM 802 CA VAL A 58 -5.062 2.877 -10.530 1.00 0.00 C ATOM 803 C VAL A 58 -5.573 1.437 -10.405 1.00 0.00 C ATOM 804 O VAL A 58 -5.166 0.689 -9.531 1.00 0.00 O ATOM 805 CB VAL A 58 -3.942 2.903 -11.576 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.495 3.428 -12.901 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.801 3.814 -11.111 1.00 0.00 C ATOM 0 H VAL A 58 -3.930 2.702 -8.731 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.873 3.537 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.560 1.891 -11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.699 3.447 -13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.298 2.775 -13.244 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.883 4.437 -12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.013 3.823 -11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.179 4.827 -10.969 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.399 3.442 -10.169 1.00 0.00 H new ATOM 817 N ASP A 59 -6.454 1.043 -11.285 1.00 0.00 N ATOM 818 CA ASP A 59 -6.996 -0.343 -11.246 1.00 0.00 C ATOM 819 C ASP A 59 -6.554 -1.086 -12.511 1.00 0.00 C ATOM 820 O ASP A 59 -6.728 -0.607 -13.614 1.00 0.00 O ATOM 821 CB ASP A 59 -8.528 -0.283 -11.185 1.00 0.00 C ATOM 822 CG ASP A 59 -9.125 -1.622 -11.632 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.547 -2.645 -11.305 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.150 -1.600 -12.295 1.00 0.00 O ATOM 0 H ASP A 59 -6.823 1.628 -12.035 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.622 -0.868 -10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.851 -0.053 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.894 0.519 -11.825 1.00 0.00 H new ATOM 829 N ASN A 60 -5.975 -2.246 -12.363 1.00 0.00 N ATOM 830 CA ASN A 60 -5.516 -3.002 -13.567 1.00 0.00 C ATOM 831 C ASN A 60 -6.638 -3.893 -14.107 1.00 0.00 C ATOM 832 O ASN A 60 -6.584 -4.344 -15.235 1.00 0.00 O ATOM 833 CB ASN A 60 -4.307 -3.863 -13.199 1.00 0.00 C ATOM 834 CG ASN A 60 -3.126 -3.496 -14.100 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.952 -2.346 -14.452 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.301 -4.429 -14.491 1.00 0.00 N ATOM 0 H ASN A 60 -5.800 -2.702 -11.468 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.237 -2.288 -14.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.042 -3.708 -12.153 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.551 -4.919 -13.313 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.511 -4.192 -15.091 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.446 -5.395 -14.196 1.00 0.00 H new ATOM 843 N GLY A 61 -7.660 -4.145 -13.338 1.00 0.00 N ATOM 844 CA GLY A 61 -8.768 -4.993 -13.848 1.00 0.00 C ATOM 845 C GLY A 61 -8.369 -6.470 -13.789 1.00 0.00 C ATOM 846 O GLY A 61 -8.990 -7.313 -14.406 1.00 0.00 O ATOM 0 H GLY A 61 -7.774 -3.802 -12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.667 -4.827 -13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.008 -4.714 -14.874 1.00 0.00 H new ATOM 850 N ASP A 62 -7.338 -6.794 -13.057 1.00 0.00 N ATOM 851 CA ASP A 62 -6.911 -8.220 -12.974 1.00 0.00 C ATOM 852 C ASP A 62 -7.092 -8.730 -11.542 1.00 0.00 C ATOM 853 O ASP A 62 -6.366 -9.592 -11.085 1.00 0.00 O ATOM 854 CB ASP A 62 -5.440 -8.338 -13.379 1.00 0.00 C ATOM 855 CG ASP A 62 -4.558 -7.748 -12.279 1.00 0.00 C ATOM 856 OD1 ASP A 62 -4.910 -6.698 -11.765 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.546 -8.354 -11.970 1.00 0.00 O ATOM 0 H ASP A 62 -6.776 -6.137 -12.516 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.522 -8.819 -13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.181 -9.384 -13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.267 -7.813 -14.319 1.00 0.00 H new ATOM 862 N GLY A 63 -8.055 -8.210 -10.830 1.00 0.00 N ATOM 863 CA GLY A 63 -8.281 -8.674 -9.429 1.00 0.00 C ATOM 864 C GLY A 63 -7.253 -8.025 -8.497 1.00 0.00 C ATOM 865 O GLY A 63 -7.270 -8.224 -7.290 1.00 0.00 O ATOM 0 H GLY A 63 -8.694 -7.485 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.290 -8.416 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.198 -9.760 -9.378 1.00 0.00 H new ATOM 869 N THR A 64 -6.356 -7.251 -9.048 1.00 0.00 N ATOM 870 CA THR A 64 -5.325 -6.586 -8.209 1.00 0.00 C ATOM 871 C THR A 64 -5.244 -5.105 -8.583 1.00 0.00 C ATOM 872 O THR A 64 -5.501 -4.724 -9.708 1.00 0.00 O ATOM 873 CB THR A 64 -3.969 -7.239 -8.459 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.753 -7.354 -9.858 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.939 -8.629 -7.820 1.00 0.00 C ATOM 0 H THR A 64 -6.295 -7.052 -10.047 1.00 0.00 H new ATOM 0 HA THR A 64 -5.593 -6.686 -7.157 1.00 0.00 H new ATOM 0 HB THR A 64 -3.184 -6.625 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.138 -6.576 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.969 -9.092 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.104 -8.539 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.723 -9.247 -8.257 1.00 0.00 H new ATOM 883 N TYR A 65 -4.897 -4.264 -7.648 1.00 0.00 N ATOM 884 CA TYR A 65 -4.813 -2.805 -7.955 1.00 0.00 C ATOM 885 C TYR A 65 -3.429 -2.265 -7.600 1.00 0.00 C ATOM 886 O TYR A 65 -2.725 -2.825 -6.783 1.00 0.00 O ATOM 887 CB TYR A 65 -5.890 -2.072 -7.166 1.00 0.00 C ATOM 888 CG TYR A 65 -7.221 -2.527 -7.693 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.595 -3.869 -7.569 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.063 -1.622 -8.341 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.811 -4.305 -8.088 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.279 -2.057 -8.866 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.658 -3.401 -8.740 1.00 0.00 C ATOM 894 OH TYR A 65 -10.862 -3.832 -9.260 1.00 0.00 O ATOM 0 H TYR A 65 -4.668 -4.521 -6.688 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.972 -2.646 -9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.803 -2.292 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.781 -0.993 -7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.940 -4.568 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.773 -0.586 -8.436 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.101 -5.341 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.930 -1.358 -9.370 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.327 -3.077 -9.678 1.00 0.00 H new ATOM 904 N ASP A 66 -3.023 -1.188 -8.223 1.00 0.00 N ATOM 905 CA ASP A 66 -1.674 -0.633 -7.928 1.00 0.00 C ATOM 906 C ASP A 66 -1.781 0.851 -7.585 1.00 0.00 C ATOM 907 O ASP A 66 -2.393 1.623 -8.297 1.00 0.00 O ATOM 908 CB ASP A 66 -0.776 -0.804 -9.156 1.00 0.00 C ATOM 909 CG ASP A 66 -1.613 -0.657 -10.428 1.00 0.00 C ATOM 910 OD1 ASP A 66 -2.643 -0.005 -10.364 1.00 0.00 O ATOM 911 OD2 ASP A 66 -1.211 -1.198 -11.445 1.00 0.00 O ATOM 0 H ASP A 66 -3.565 -0.674 -8.918 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.247 -1.166 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.020 -0.059 -9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.297 -1.783 -9.135 1.00 0.00 H new ATOM 916 N VAL A 67 -1.178 1.258 -6.504 1.00 0.00 N ATOM 917 CA VAL A 67 -1.230 2.691 -6.116 1.00 0.00 C ATOM 918 C VAL A 67 0.213 3.210 -5.981 1.00 0.00 C ATOM 919 O VAL A 67 1.095 2.473 -5.578 1.00 0.00 O ATOM 920 CB VAL A 67 -1.995 2.819 -4.796 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.203 1.882 -4.818 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.114 2.417 -3.640 1.00 0.00 C ATOM 0 H VAL A 67 -0.650 0.657 -5.871 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.747 3.286 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.311 3.855 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.750 1.971 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.858 2.152 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.864 0.854 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.671 2.513 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.796 1.382 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.238 3.065 -3.608 1.00 0.00 H new ATOM 932 N GLU A 68 0.488 4.450 -6.341 1.00 0.00 N ATOM 933 CA GLU A 68 1.911 4.928 -6.248 1.00 0.00 C ATOM 934 C GLU A 68 2.016 6.431 -5.978 1.00 0.00 C ATOM 935 O GLU A 68 1.539 7.239 -6.728 1.00 0.00 O ATOM 936 CB GLU A 68 2.625 4.678 -7.576 1.00 0.00 C ATOM 937 CG GLU A 68 2.100 3.404 -8.241 1.00 0.00 C ATOM 938 CD GLU A 68 0.817 3.722 -9.014 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.925 4.235 -10.115 1.00 0.00 O ATOM 940 OE2 GLU A 68 -0.250 3.445 -8.493 1.00 0.00 O ATOM 0 H GLU A 68 -0.189 5.131 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 68 2.361 4.379 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.476 5.529 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.698 4.590 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.853 2.997 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.903 2.642 -7.487 1.00 0.00 H new ATOM 947 N PHE A 69 2.745 6.811 -4.976 1.00 0.00 N ATOM 948 CA PHE A 69 2.961 8.267 -4.725 1.00 0.00 C ATOM 949 C PHE A 69 4.465 8.462 -4.476 1.00 0.00 C ATOM 950 O PHE A 69 5.164 7.531 -4.097 1.00 0.00 O ATOM 951 CB PHE A 69 2.128 8.777 -3.530 1.00 0.00 C ATOM 952 CG PHE A 69 2.613 8.158 -2.257 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.571 6.773 -2.094 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.094 8.976 -1.233 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.012 6.207 -0.899 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.536 8.406 -0.041 1.00 0.00 C ATOM 957 CZ PHE A 69 3.491 7.017 0.119 1.00 0.00 C ATOM 0 H PHE A 69 3.203 6.182 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 69 2.631 8.848 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.200 9.863 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.076 8.536 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.199 6.143 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.123 10.048 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.980 5.136 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.911 9.033 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.832 6.572 1.042 1.00 0.00 H new ATOM 967 N GLU A 70 4.991 9.630 -4.727 1.00 0.00 N ATOM 968 CA GLU A 70 6.458 9.817 -4.529 1.00 0.00 C ATOM 969 C GLU A 70 6.780 11.285 -4.177 1.00 0.00 C ATOM 970 O GLU A 70 6.903 12.115 -5.055 1.00 0.00 O ATOM 971 CB GLU A 70 7.167 9.420 -5.823 1.00 0.00 C ATOM 972 CG GLU A 70 6.744 10.364 -6.951 1.00 0.00 C ATOM 973 CD GLU A 70 7.954 11.167 -7.429 1.00 0.00 C ATOM 974 OE1 GLU A 70 8.778 10.600 -8.125 1.00 0.00 O ATOM 975 OE2 GLU A 70 8.036 12.337 -7.089 1.00 0.00 O ATOM 0 H GLU A 70 4.480 10.450 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 70 6.800 9.194 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.247 9.463 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.919 8.391 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.324 9.793 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.963 11.038 -6.601 1.00 0.00 H new ATOM 982 N PRO A 71 6.904 11.554 -2.899 1.00 0.00 N ATOM 983 CA PRO A 71 7.210 12.910 -2.384 1.00 0.00 C ATOM 984 C PRO A 71 8.714 13.230 -2.475 1.00 0.00 C ATOM 985 O PRO A 71 9.511 12.414 -2.898 1.00 0.00 O ATOM 986 CB PRO A 71 6.773 12.835 -0.919 1.00 0.00 C ATOM 987 CG PRO A 71 6.794 11.336 -0.531 1.00 0.00 C ATOM 988 CD PRO A 71 6.740 10.535 -1.845 1.00 0.00 C ATOM 0 HA PRO A 71 6.709 13.692 -2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.446 13.410 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.776 13.255 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.696 11.095 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.945 11.090 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.532 9.787 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.794 10.004 -1.949 1.00 0.00 H new ATOM 996 N LYS A 72 9.099 14.423 -2.076 1.00 0.00 N ATOM 997 CA LYS A 72 10.547 14.819 -2.131 1.00 0.00 C ATOM 998 C LYS A 72 10.937 15.590 -0.862 1.00 0.00 C ATOM 999 O LYS A 72 11.783 16.458 -0.899 1.00 0.00 O ATOM 1000 CB LYS A 72 10.796 15.727 -3.339 1.00 0.00 C ATOM 1001 CG LYS A 72 9.697 15.531 -4.389 1.00 0.00 C ATOM 1002 CD LYS A 72 9.993 16.408 -5.609 1.00 0.00 C ATOM 1003 CE LYS A 72 9.014 17.583 -5.643 1.00 0.00 C ATOM 1004 NZ LYS A 72 8.275 17.574 -6.937 1.00 0.00 N ATOM 0 H LYS A 72 8.471 15.141 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 72 11.145 13.911 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.821 16.769 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.769 15.503 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.645 14.483 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.726 15.792 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.018 16.776 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.904 15.820 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.314 17.511 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.553 18.523 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.609 18.372 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.950 17.662 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.749 16.681 -7.030 1.00 0.00 H new ATOM 1018 N GLU A 73 10.339 15.296 0.261 1.00 0.00 N ATOM 1019 CA GLU A 73 10.703 16.020 1.501 1.00 0.00 C ATOM 1020 C GLU A 73 10.430 15.096 2.685 1.00 0.00 C ATOM 1021 O GLU A 73 10.281 13.902 2.528 1.00 0.00 O ATOM 1022 CB GLU A 73 9.848 17.288 1.612 1.00 0.00 C ATOM 1023 CG GLU A 73 8.373 16.901 1.745 1.00 0.00 C ATOM 1024 CD GLU A 73 7.642 17.953 2.582 1.00 0.00 C ATOM 1025 OE1 GLU A 73 7.773 17.913 3.794 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.963 18.780 1.995 1.00 0.00 O ATOM 0 H GLU A 73 9.615 14.585 0.368 1.00 0.00 H new ATOM 0 HA GLU A 73 11.755 16.306 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.160 17.875 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.992 17.915 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.916 16.824 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.284 15.921 2.215 1.00 0.00 H new ATOM 1033 N ALA A 74 10.328 15.637 3.858 1.00 0.00 N ATOM 1034 CA ALA A 74 10.015 14.791 5.041 1.00 0.00 C ATOM 1035 C ALA A 74 8.494 14.755 5.155 1.00 0.00 C ATOM 1036 O ALA A 74 7.846 15.781 5.187 1.00 0.00 O ATOM 1037 CB ALA A 74 10.636 15.400 6.299 1.00 0.00 C ATOM 0 H ALA A 74 10.447 16.631 4.054 1.00 0.00 H new ATOM 0 HA ALA A 74 10.421 13.785 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.402 14.774 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.718 15.461 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.232 16.400 6.457 1.00 0.00 H new ATOM 1043 N GLY A 75 7.905 13.593 5.150 1.00 0.00 N ATOM 1044 CA GLY A 75 6.420 13.536 5.182 1.00 0.00 C ATOM 1045 C GLY A 75 5.929 12.172 5.655 1.00 0.00 C ATOM 1046 O GLY A 75 6.648 11.198 5.647 1.00 0.00 O ATOM 0 H GLY A 75 8.381 12.691 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.038 14.312 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.024 13.743 4.188 1.00 0.00 H new ATOM 1050 N ASP A 76 4.697 12.110 6.058 1.00 0.00 N ATOM 1051 CA ASP A 76 4.110 10.827 6.525 1.00 0.00 C ATOM 1052 C ASP A 76 3.043 10.424 5.518 1.00 0.00 C ATOM 1053 O ASP A 76 2.553 11.240 4.762 1.00 0.00 O ATOM 1054 CB ASP A 76 3.477 11.018 7.905 1.00 0.00 C ATOM 1055 CG ASP A 76 2.660 12.310 7.916 1.00 0.00 C ATOM 1056 OD1 ASP A 76 3.213 13.341 7.571 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.494 12.246 8.272 1.00 0.00 O ATOM 0 H ASP A 76 4.060 12.906 6.085 1.00 0.00 H new ATOM 0 HA ASP A 76 4.877 10.057 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.837 10.169 8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.252 11.059 8.670 1.00 0.00 H new ATOM 1062 N TYR A 77 2.714 9.174 5.462 1.00 0.00 N ATOM 1063 CA TYR A 77 1.716 8.732 4.453 1.00 0.00 C ATOM 1064 C TYR A 77 0.449 8.255 5.116 1.00 0.00 C ATOM 1065 O TYR A 77 0.467 7.535 6.089 1.00 0.00 O ATOM 1066 CB TYR A 77 2.249 7.542 3.667 1.00 0.00 C ATOM 1067 CG TYR A 77 3.659 7.782 3.236 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.101 9.078 2.987 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.509 6.694 3.046 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.406 9.291 2.541 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.813 6.900 2.603 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.266 8.201 2.346 1.00 0.00 C ATOM 1073 OH TYR A 77 7.557 8.408 1.905 1.00 0.00 O ATOM 0 H TYR A 77 3.087 8.440 6.064 1.00 0.00 H new ATOM 0 HA TYR A 77 1.522 9.589 3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.199 6.643 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.621 7.366 2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.436 9.916 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.157 5.692 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.753 10.295 2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.474 6.058 2.458 1.00 0.00 H new ATOM 0 HH TYR A 77 7.890 9.260 2.257 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.649 8.602 4.536 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.945 8.123 5.052 1.00 0.00 C ATOM 1085 C VAL A 78 -2.535 7.267 3.953 1.00 0.00 C ATOM 1086 O VAL A 78 -2.587 7.664 2.792 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.862 9.288 5.386 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.705 10.377 4.329 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.312 8.801 5.428 1.00 0.00 C ATOM 0 H VAL A 78 -0.706 9.205 3.715 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.821 7.557 5.975 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.596 9.697 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.362 11.213 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.671 10.722 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.969 9.975 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.970 9.637 5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.586 8.390 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.414 8.029 6.190 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.910 6.074 4.286 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.425 5.156 3.231 1.00 0.00 C ATOM 1101 C ILE A 79 -4.921 4.928 3.335 1.00 0.00 C ATOM 1102 O ILE A 79 -5.550 5.102 4.358 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.707 3.802 3.304 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.535 3.867 4.290 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.175 3.437 1.917 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.685 2.601 4.159 1.00 0.00 C ATOM 0 H ILE A 79 -2.886 5.691 5.231 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.225 5.640 2.275 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.415 3.048 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.926 4.749 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.909 3.963 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.664 2.475 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.006 3.372 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.476 4.203 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.148 2.648 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.297 1.727 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.300 2.525 3.142 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.473 4.518 2.242 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.911 4.218 2.172 1.00 0.00 C ATOM 1120 C ASN A 80 -7.082 3.107 1.141 1.00 0.00 C ATOM 1121 O ASN A 80 -6.837 3.288 -0.035 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.677 5.458 1.741 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.091 6.693 2.429 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.712 7.208 3.455 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -6.059 7.196 2.031 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.969 4.375 1.367 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.296 3.908 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.622 5.573 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.731 5.353 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.572 6.795 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.679 8.019 2.499 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.488 1.960 1.579 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.670 0.814 0.651 1.00 0.00 C ATOM 1134 C LEU A 81 -8.964 0.134 1.042 1.00 0.00 C ATOM 1135 O LEU A 81 -9.122 -0.304 2.158 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.490 -0.153 0.801 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.737 -1.460 0.043 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.461 -2.435 0.963 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.585 -1.209 -1.201 1.00 0.00 C ATOM 0 H LEU A 81 -7.706 1.760 2.555 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.709 1.141 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.581 0.319 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.327 -0.369 1.857 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.779 -1.877 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.642 -3.370 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.847 -2.630 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.413 -2.004 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.749 -2.150 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.545 -0.785 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.067 -0.512 -1.860 1.00 0.00 H new ATOM 1151 N THR A 82 -9.913 0.093 0.165 1.00 0.00 N ATOM 1152 CA THR A 82 -11.225 -0.498 0.555 1.00 0.00 C ATOM 1153 C THR A 82 -11.752 -1.488 -0.480 1.00 0.00 C ATOM 1154 O THR A 82 -11.745 -1.233 -1.668 1.00 0.00 O ATOM 1155 CB THR A 82 -12.218 0.655 0.700 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.988 1.609 -0.330 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.020 1.326 2.054 1.00 0.00 C ATOM 0 H THR A 82 -9.848 0.436 -0.794 1.00 0.00 H new ATOM 0 HA THR A 82 -11.098 -1.051 1.486 1.00 0.00 H new ATOM 0 HB THR A 82 -13.235 0.270 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.494 1.186 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.727 2.149 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.188 0.599 2.848 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.003 1.711 2.124 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.244 -2.610 -0.018 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.822 -3.618 -0.970 1.00 0.00 C ATOM 1167 C LEU A 83 -14.077 -4.237 -0.357 1.00 0.00 C ATOM 1168 O LEU A 83 -14.046 -5.353 0.105 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.805 -4.727 -1.269 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.291 -5.612 -2.443 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.267 -6.672 -1.922 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.010 -4.757 -3.493 1.00 0.00 C ATOM 0 H LEU A 83 -12.272 -2.874 0.967 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.073 -3.111 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.839 -4.285 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.657 -5.341 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.423 -6.091 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.607 -7.293 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.765 -7.297 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.124 -6.182 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.346 -5.393 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.871 -4.268 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.325 -4.001 -3.878 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.166 -3.501 -0.348 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.466 -3.989 0.227 1.00 0.00 C ATOM 1186 C ASP A 84 -17.149 -2.818 0.922 1.00 0.00 C ATOM 1187 O ASP A 84 -18.349 -2.799 1.115 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.276 -5.136 1.232 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.196 -6.472 0.486 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.976 -6.664 -0.432 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.355 -7.280 0.847 1.00 0.00 O ATOM 0 H ASP A 84 -15.209 -2.555 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.073 -4.379 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.366 -4.977 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.105 -5.153 1.939 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.376 -1.843 1.318 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.948 -0.670 2.023 1.00 0.00 C ATOM 1198 C GLY A 85 -16.123 -0.382 3.282 1.00 0.00 C ATOM 1199 O GLY A 85 -16.443 0.505 4.048 1.00 0.00 O ATOM 0 H GLY A 85 -15.366 -1.813 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.946 0.200 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.986 -0.864 2.292 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.055 -1.114 3.508 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.226 -0.855 4.713 1.00 0.00 C ATOM 1205 C ASP A 86 -12.766 -0.754 4.278 1.00 0.00 C ATOM 1206 O ASP A 86 -12.439 -0.997 3.134 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.385 -2.007 5.709 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.057 -1.493 6.983 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -15.978 -0.702 6.865 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -14.640 -1.900 8.055 1.00 0.00 O ATOM 0 H ASP A 86 -14.730 -1.873 2.909 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.543 0.071 5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.983 -2.804 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.410 -2.433 5.946 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.878 -0.406 5.166 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.452 -0.305 4.764 1.00 0.00 C ATOM 1217 C ASN A 87 -9.688 -1.517 5.293 1.00 0.00 C ATOM 1218 O ASN A 87 -10.076 -2.124 6.272 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.843 0.973 5.342 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.675 2.180 4.909 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.305 2.873 3.866 1.00 0.00 O flip ATOM 1222 ND2 ASN A 87 -11.672 2.498 5.525 1.00 0.00 N flip ATOM 0 H ASN A 87 -12.077 -0.189 6.143 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.385 -0.277 3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.811 0.913 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.815 1.085 4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.962 1.957 6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.219 3.306 5.227 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.605 -1.876 4.661 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.833 -3.053 5.144 1.00 0.00 C ATOM 1231 C VAL A 88 -7.244 -2.721 6.528 1.00 0.00 C ATOM 1232 O VAL A 88 -7.340 -1.604 6.993 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.721 -3.382 4.134 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.563 -4.121 4.813 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.304 -4.282 3.047 1.00 0.00 C ATOM 0 H VAL A 88 -8.224 -1.409 3.838 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.479 -3.926 5.235 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.342 -2.451 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.790 -4.342 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.145 -3.495 5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.929 -5.052 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.528 -4.525 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.680 -5.200 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.121 -3.764 2.545 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.673 -3.684 7.209 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.130 -3.414 8.578 1.00 0.00 C ATOM 1247 C ASN A 89 -4.748 -2.750 8.524 1.00 0.00 C ATOM 1248 O ASN A 89 -3.985 -2.815 9.468 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.029 -4.733 9.347 1.00 0.00 C ATOM 1250 CG ASN A 89 -5.580 -4.459 10.783 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -4.582 -4.986 11.231 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -6.282 -3.651 11.529 1.00 0.00 N ATOM 0 H ASN A 89 -6.559 -4.642 6.878 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.811 -2.727 9.081 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.994 -5.239 9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.320 -5.399 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.992 -3.462 12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.120 -3.208 11.153 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.421 -2.105 7.446 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.092 -1.428 7.356 1.00 0.00 C ATOM 1261 C GLY A 90 -3.189 -0.212 6.429 1.00 0.00 C ATOM 1262 O GLY A 90 -2.199 0.266 5.912 1.00 0.00 O ATOM 0 H GLY A 90 -5.012 -2.014 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.765 -1.115 8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.344 -2.125 6.979 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.379 0.268 6.180 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.533 1.419 5.250 1.00 0.00 C ATOM 1268 C PHE A 91 -4.996 2.697 5.932 1.00 0.00 C ATOM 1269 O PHE A 91 -4.417 3.732 5.683 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.509 1.038 4.171 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.694 0.605 3.004 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.289 1.541 2.059 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.318 -0.728 2.886 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.508 1.147 0.980 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.538 -1.132 1.811 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.129 -0.196 0.850 1.00 0.00 C ATOM 0 H PHE A 91 -5.247 -0.088 6.580 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.548 1.635 4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.165 0.235 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.147 1.882 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.582 2.575 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.632 -1.447 3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.194 1.873 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.246 -2.167 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.524 -0.509 0.012 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.987 2.637 6.785 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.449 3.847 7.462 1.00 0.00 C ATOM 1288 C PRO A 92 -5.401 4.272 8.483 1.00 0.00 C ATOM 1289 O PRO A 92 -5.647 5.100 9.338 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.778 3.436 8.100 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.748 1.897 8.209 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.705 1.408 7.183 1.00 0.00 C ATOM 0 HA PRO A 92 -6.591 4.706 6.807 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.896 3.893 9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.620 3.766 7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.477 1.584 9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.730 1.473 7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.028 0.675 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.181 0.930 6.327 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.213 3.726 8.376 1.00 0.00 N ATOM 1301 CA LYS A 93 -3.133 4.110 9.304 1.00 0.00 C ATOM 1302 C LYS A 93 -2.219 5.088 8.586 1.00 0.00 C ATOM 1303 O LYS A 93 -2.400 5.397 7.414 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.348 2.864 9.722 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.572 3.159 11.008 1.00 0.00 C ATOM 1306 CD LYS A 93 -1.355 1.861 11.788 1.00 0.00 C ATOM 1307 CE LYS A 93 -1.366 2.159 13.288 1.00 0.00 C ATOM 1308 NZ LYS A 93 -0.353 1.306 13.971 1.00 0.00 N ATOM 0 H LYS A 93 -3.956 3.028 7.678 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.546 4.575 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.029 2.028 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.661 2.571 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.612 3.615 10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.121 3.875 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.137 1.142 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.405 1.408 11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.147 3.212 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.356 1.967 13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.360 1.508 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.581 0.303 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.590 1.510 13.584 1.00 0.00 H new ATOM 1322 N THR A 94 -1.249 5.594 9.279 1.00 0.00 N ATOM 1323 CA THR A 94 -0.337 6.566 8.650 1.00 0.00 C ATOM 1324 C THR A 94 1.102 6.119 8.818 1.00 0.00 C ATOM 1325 O THR A 94 1.554 5.827 9.906 1.00 0.00 O ATOM 1326 CB THR A 94 -0.530 7.925 9.313 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.903 8.282 9.257 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.307 8.965 8.580 1.00 0.00 C ATOM 0 H THR A 94 -1.050 5.375 10.255 1.00 0.00 H new ATOM 0 HA THR A 94 -0.560 6.635 7.585 1.00 0.00 H new ATOM 0 HB THR A 94 -0.213 7.878 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.032 9.155 9.684 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.172 9.939 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.359 8.683 8.625 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.010 9.019 7.538 1.00 0.00 H new ATOM 1336 N VAL A 95 1.835 6.089 7.745 1.00 0.00 N ATOM 1337 CA VAL A 95 3.263 5.688 7.858 1.00 0.00 C ATOM 1338 C VAL A 95 4.098 6.968 7.889 1.00 0.00 C ATOM 1339 O VAL A 95 3.647 8.011 7.459 1.00 0.00 O ATOM 1340 CB VAL A 95 3.673 4.781 6.687 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.192 4.767 6.530 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.212 3.355 6.968 1.00 0.00 C ATOM 0 H VAL A 95 1.514 6.321 6.805 1.00 0.00 H new ATOM 0 HA VAL A 95 3.427 5.112 8.769 1.00 0.00 H new ATOM 0 HB VAL A 95 3.213 5.164 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.466 4.120 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.547 5.779 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.649 4.392 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.501 2.709 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.677 2.997 7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.128 3.338 7.080 1.00 0.00 H new ATOM 1352 N THR A 96 5.279 6.933 8.442 1.00 0.00 N ATOM 1353 CA THR A 96 6.061 8.199 8.537 1.00 0.00 C ATOM 1354 C THR A 96 7.412 8.132 7.814 1.00 0.00 C ATOM 1355 O THR A 96 8.163 7.184 7.925 1.00 0.00 O ATOM 1356 CB THR A 96 6.307 8.515 10.013 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.063 8.738 10.660 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.179 9.765 10.131 1.00 0.00 C ATOM 0 H THR A 96 5.730 6.102 8.825 1.00 0.00 H new ATOM 0 HA THR A 96 5.474 8.977 8.049 1.00 0.00 H new ATOM 0 HB THR A 96 6.817 7.675 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.218 8.939 11.607 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.353 9.989 11.183 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.133 9.591 9.634 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.673 10.608 9.660 1.00 0.00 H new ATOM 1366 N VAL A 97 7.728 9.198 7.128 1.00 0.00 N ATOM 1367 CA VAL A 97 9.034 9.335 6.424 1.00 0.00 C ATOM 1368 C VAL A 97 9.679 10.630 6.937 1.00 0.00 C ATOM 1369 O VAL A 97 9.042 11.664 6.990 1.00 0.00 O ATOM 1370 CB VAL A 97 8.818 9.411 4.903 1.00 0.00 C ATOM 1371 CG1 VAL A 97 9.968 10.158 4.265 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.825 8.015 4.292 1.00 0.00 C ATOM 0 H VAL A 97 7.113 10.005 7.024 1.00 0.00 H new ATOM 0 HA VAL A 97 9.675 8.475 6.620 1.00 0.00 H new ATOM 0 HB VAL A 97 7.864 9.908 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.814 10.211 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.018 11.167 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.901 9.635 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.671 8.088 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.784 7.536 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.025 7.421 4.733 1.00 0.00 H new ATOM 1382 N LYS A 98 10.919 10.585 7.343 1.00 0.00 N ATOM 1383 CA LYS A 98 11.549 11.828 7.886 1.00 0.00 C ATOM 1384 C LYS A 98 12.787 12.257 7.078 1.00 0.00 C ATOM 1385 O LYS A 98 12.762 13.296 6.450 1.00 0.00 O ATOM 1386 CB LYS A 98 11.932 11.601 9.350 1.00 0.00 C ATOM 1387 CG LYS A 98 10.821 12.135 10.256 1.00 0.00 C ATOM 1388 CD LYS A 98 9.953 10.971 10.737 1.00 0.00 C ATOM 1389 CE LYS A 98 10.403 10.539 12.134 1.00 0.00 C ATOM 1390 NZ LYS A 98 9.946 9.143 12.395 1.00 0.00 N ATOM 0 H LYS A 98 11.516 9.758 7.324 1.00 0.00 H new ATOM 0 HA LYS A 98 10.820 12.635 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.088 10.538 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.872 12.105 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.253 12.658 11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.211 12.858 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.905 11.270 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.032 10.134 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.489 10.598 12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.992 11.214 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.633 9.059 13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.155 8.912 11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.731 8.483 12.223 1.00 0.00 H new