USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 87 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0162) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.11) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.182 (180deg=-0.885) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.164 (180deg=-0.928) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0157 (180deg=-0.166) USER MOD Single : A 9 LYS NZ :NH3+ -145:sc= 0.546 (180deg=-2.53!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.595 USER MOD Single : A 17 HIS : no HD1:sc= -4.62! C(o=-4.6!,f=-7.1!) USER MOD Single : A 20 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -115:sc= 1.32 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.083) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -149:sc= -0.0921 USER MOD Single : A 51 SER OG : rot -20:sc= 0.267 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 64 SER OG : rot -151:sc= 1.25 USER MOD Single : A 65 SER OG : rot 44:sc= 0.221 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00449) USER MOD Single : A 76 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 163:sc= -0.0632 (180deg=-0.457) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.15) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.673 -14.057 10.756 1.00 0.00 N ATOM 2 CA MET A 1 7.129 -14.180 10.997 1.00 0.00 C ATOM 3 C MET A 1 7.874 -14.557 9.709 1.00 0.00 C ATOM 4 O MET A 1 8.752 -13.815 9.274 1.00 0.00 O ATOM 5 CB MET A 1 7.412 -15.191 12.117 1.00 0.00 C ATOM 6 CG MET A 1 8.878 -15.275 12.513 1.00 0.00 C ATOM 7 SD MET A 1 9.167 -16.452 13.847 1.00 0.00 S ATOM 8 CE MET A 1 8.112 -15.777 15.133 1.00 0.00 C ATOM 0 H1 MET A 1 5.283 -13.309 11.364 1.00 0.00 H new ATOM 0 H2 MET A 1 5.505 -13.815 9.758 1.00 0.00 H new ATOM 0 H3 MET A 1 5.207 -14.960 10.976 1.00 0.00 H new ATOM 0 HA MET A 1 7.500 -13.207 11.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.823 -14.922 12.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.075 -16.177 11.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.470 -15.563 11.644 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.225 -14.289 12.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.455 -16.128 16.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.154 -14.688 15.104 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.085 -16.105 14.970 1.00 0.00 H new ATOM 18 N PRO A 2 7.560 -15.709 9.075 1.00 0.00 N ATOM 19 CA PRO A 2 8.170 -16.089 7.797 1.00 0.00 C ATOM 20 C PRO A 2 7.626 -15.253 6.644 1.00 0.00 C ATOM 21 O PRO A 2 6.553 -14.657 6.752 1.00 0.00 O ATOM 22 CB PRO A 2 7.775 -17.563 7.618 1.00 0.00 C ATOM 23 CG PRO A 2 7.214 -17.985 8.932 1.00 0.00 C ATOM 24 CD PRO A 2 6.627 -16.750 9.534 1.00 0.00 C ATOM 0 HA PRO A 2 9.248 -15.930 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.040 -17.679 6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.638 -18.171 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.456 -18.757 8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.990 -18.403 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.611 -16.569 9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.584 -16.808 10.622 1.00 0.00 H new ATOM 32 N TYR A 3 8.368 -15.209 5.547 1.00 0.00 N ATOM 33 CA TYR A 3 7.967 -14.422 4.390 1.00 0.00 C ATOM 34 C TYR A 3 7.135 -15.272 3.438 1.00 0.00 C ATOM 35 O TYR A 3 7.268 -16.495 3.411 1.00 0.00 O ATOM 36 CB TYR A 3 9.199 -13.859 3.661 1.00 0.00 C ATOM 37 CG TYR A 3 9.904 -14.850 2.754 1.00 0.00 C ATOM 38 CD1 TYR A 3 10.598 -15.939 3.271 1.00 0.00 C ATOM 39 CD2 TYR A 3 9.866 -14.693 1.374 1.00 0.00 C ATOM 40 CE1 TYR A 3 11.235 -16.840 2.438 1.00 0.00 C ATOM 41 CE2 TYR A 3 10.500 -15.590 0.536 1.00 0.00 C ATOM 42 CZ TYR A 3 11.182 -16.661 1.070 1.00 0.00 C ATOM 43 OH TYR A 3 11.812 -17.555 0.233 1.00 0.00 O ATOM 0 H TYR A 3 9.250 -15.708 5.434 1.00 0.00 H new ATOM 0 HA TYR A 3 7.361 -13.585 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.892 -12.998 3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.910 -13.497 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.640 -16.083 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.332 -13.856 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.771 -17.679 2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.461 -15.452 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 3 11.675 -17.283 -0.699 1.00 0.00 H new ATOM 53 N LYS A 4 6.274 -14.627 2.668 1.00 0.00 N ATOM 54 CA LYS A 4 5.492 -15.327 1.660 1.00 0.00 C ATOM 55 C LYS A 4 6.202 -15.280 0.308 1.00 0.00 C ATOM 56 O LYS A 4 6.759 -14.251 -0.078 1.00 0.00 O ATOM 57 CB LYS A 4 4.088 -14.717 1.548 1.00 0.00 C ATOM 58 CG LYS A 4 3.244 -15.328 0.436 1.00 0.00 C ATOM 59 CD LYS A 4 1.852 -14.716 0.375 1.00 0.00 C ATOM 60 CE LYS A 4 0.997 -15.139 1.559 1.00 0.00 C ATOM 61 NZ LYS A 4 0.657 -16.588 1.521 1.00 0.00 N ATOM 0 H LYS A 4 6.099 -13.624 2.720 1.00 0.00 H new ATOM 0 HA LYS A 4 5.392 -16.369 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.569 -14.844 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.180 -13.645 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.746 -15.184 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.161 -16.403 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.933 -13.629 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.363 -15.016 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.527 -14.917 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.078 -14.553 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.107 -16.783 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.345 -16.846 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.496 -17.148 1.775 1.00 0.00 H new ATOM 75 N ALA A 5 6.194 -16.403 -0.396 1.00 0.00 N ATOM 76 CA ALA A 5 6.772 -16.477 -1.729 1.00 0.00 C ATOM 77 C ALA A 5 5.812 -15.872 -2.753 1.00 0.00 C ATOM 78 O ALA A 5 4.591 -15.971 -2.598 1.00 0.00 O ATOM 79 CB ALA A 5 7.096 -17.925 -2.082 1.00 0.00 C ATOM 0 H ALA A 5 5.791 -17.279 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 5 7.699 -15.904 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.528 -17.968 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.809 -18.324 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.182 -18.519 -2.056 1.00 0.00 H new ATOM 85 N PRO A 6 6.340 -15.236 -3.811 1.00 0.00 N ATOM 86 CA PRO A 6 5.521 -14.589 -4.834 1.00 0.00 C ATOM 87 C PRO A 6 4.916 -15.584 -5.816 1.00 0.00 C ATOM 88 O PRO A 6 5.632 -16.293 -6.532 1.00 0.00 O ATOM 89 CB PRO A 6 6.502 -13.662 -5.568 1.00 0.00 C ATOM 90 CG PRO A 6 7.790 -13.746 -4.814 1.00 0.00 C ATOM 91 CD PRO A 6 7.767 -15.059 -4.084 1.00 0.00 C ATOM 0 HA PRO A 6 4.674 -14.068 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.635 -13.976 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.129 -12.638 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.642 -13.693 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.887 -12.915 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.169 -15.870 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.356 -15.026 -3.167 1.00 0.00 H new ATOM 99 N GLU A 7 3.591 -15.639 -5.831 1.00 0.00 N ATOM 100 CA GLU A 7 2.858 -16.470 -6.774 1.00 0.00 C ATOM 101 C GLU A 7 2.638 -15.682 -8.068 1.00 0.00 C ATOM 102 O GLU A 7 3.374 -14.733 -8.347 1.00 0.00 O ATOM 103 CB GLU A 7 1.523 -16.888 -6.148 1.00 0.00 C ATOM 104 CG GLU A 7 1.219 -18.372 -6.276 1.00 0.00 C ATOM 105 CD GLU A 7 1.050 -18.807 -7.714 1.00 0.00 C ATOM 106 OE1 GLU A 7 0.086 -18.356 -8.361 1.00 0.00 O ATOM 107 OE2 GLU A 7 1.891 -19.579 -8.210 1.00 0.00 O ATOM 0 H GLU A 7 2.997 -15.111 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 7 3.424 -17.371 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.528 -16.618 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.719 -16.321 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.025 -18.945 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.310 -18.602 -5.721 1.00 0.00 H new ATOM 114 N GLY A 8 1.634 -16.062 -8.853 1.00 0.00 N ATOM 115 CA GLY A 8 1.354 -15.370 -10.102 1.00 0.00 C ATOM 116 C GLY A 8 0.697 -14.017 -9.893 1.00 0.00 C ATOM 117 O GLY A 8 -0.415 -13.775 -10.364 1.00 0.00 O ATOM 0 H GLY A 8 1.007 -16.839 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.285 -15.235 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.705 -15.992 -10.719 1.00 0.00 H new ATOM 121 N LYS A 9 1.389 -13.134 -9.196 1.00 0.00 N ATOM 122 CA LYS A 9 0.878 -11.811 -8.891 1.00 0.00 C ATOM 123 C LYS A 9 1.825 -10.747 -9.419 1.00 0.00 C ATOM 124 O LYS A 9 2.874 -11.062 -9.986 1.00 0.00 O ATOM 125 CB LYS A 9 0.707 -11.646 -7.381 1.00 0.00 C ATOM 126 CG LYS A 9 2.004 -11.809 -6.596 1.00 0.00 C ATOM 127 CD LYS A 9 1.805 -11.488 -5.127 1.00 0.00 C ATOM 128 CE LYS A 9 0.844 -12.456 -4.459 1.00 0.00 C ATOM 129 NZ LYS A 9 0.617 -12.115 -3.030 1.00 0.00 N ATOM 0 H LYS A 9 2.322 -13.315 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.092 -11.695 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.291 -10.659 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.018 -12.378 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.369 -12.831 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.769 -11.153 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.767 -11.521 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.424 -10.472 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.108 -12.447 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.240 -13.469 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.498 -12.989 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.434 -11.584 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.240 -11.532 -2.944 1.00 0.00 H new ATOM 143 N GLY A 10 1.459 -9.490 -9.236 1.00 0.00 N ATOM 144 CA GLY A 10 2.322 -8.412 -9.633 1.00 0.00 C ATOM 145 C GLY A 10 2.375 -7.312 -8.601 1.00 0.00 C ATOM 146 O GLY A 10 2.235 -7.557 -7.401 1.00 0.00 O ATOM 0 H GLY A 10 0.575 -9.201 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.327 -8.798 -9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.975 -8.001 -10.581 1.00 0.00 H new ATOM 150 N TYR A 11 2.558 -6.099 -9.077 1.00 0.00 N ATOM 151 CA TYR A 11 2.700 -4.928 -8.219 1.00 0.00 C ATOM 152 C TYR A 11 1.382 -4.539 -7.541 1.00 0.00 C ATOM 153 O TYR A 11 1.371 -3.723 -6.624 1.00 0.00 O ATOM 154 CB TYR A 11 3.227 -3.748 -9.041 1.00 0.00 C ATOM 155 CG TYR A 11 2.251 -3.236 -10.084 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.601 -4.108 -10.950 1.00 0.00 C ATOM 157 CD2 TYR A 11 1.977 -1.881 -10.197 1.00 0.00 C ATOM 158 CE1 TYR A 11 0.711 -3.648 -11.894 1.00 0.00 C ATOM 159 CE2 TYR A 11 1.086 -1.411 -11.140 1.00 0.00 C ATOM 160 CZ TYR A 11 0.452 -2.297 -11.986 1.00 0.00 C ATOM 161 OH TYR A 11 -0.442 -1.831 -12.927 1.00 0.00 O ATOM 0 H TYR A 11 2.614 -5.890 -10.074 1.00 0.00 H new ATOM 0 HA TYR A 11 3.408 -5.184 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.481 -2.932 -8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.149 -4.048 -9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.798 -5.168 -10.881 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.469 -1.183 -9.536 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.218 -4.342 -12.559 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.886 -0.352 -11.215 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.511 -0.856 -12.858 1.00 0.00 H new ATOM 171 N ALA A 12 0.277 -5.138 -7.965 1.00 0.00 N ATOM 172 CA ALA A 12 -1.026 -4.769 -7.424 1.00 0.00 C ATOM 173 C ALA A 12 -1.226 -5.393 -6.050 1.00 0.00 C ATOM 174 O ALA A 12 -2.072 -4.952 -5.267 1.00 0.00 O ATOM 175 CB ALA A 12 -2.139 -5.189 -8.372 1.00 0.00 C ATOM 0 H ALA A 12 0.255 -5.872 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.061 -3.685 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.103 -4.905 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.004 -4.694 -9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.109 -6.269 -8.512 1.00 0.00 H new ATOM 181 N ASP A 13 -0.424 -6.406 -5.757 1.00 0.00 N ATOM 182 CA ASP A 13 -0.439 -7.043 -4.450 1.00 0.00 C ATOM 183 C ASP A 13 0.166 -6.097 -3.419 1.00 0.00 C ATOM 184 O ASP A 13 -0.401 -5.869 -2.350 1.00 0.00 O ATOM 185 CB ASP A 13 0.348 -8.354 -4.508 1.00 0.00 C ATOM 186 CG ASP A 13 0.276 -9.154 -3.223 1.00 0.00 C ATOM 187 OD1 ASP A 13 -0.751 -9.828 -2.991 1.00 0.00 O ATOM 188 OD2 ASP A 13 1.265 -9.165 -2.470 1.00 0.00 O ATOM 0 H ASP A 13 0.249 -6.806 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.465 -7.268 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.033 -8.962 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.392 -8.134 -4.733 1.00 0.00 H new ATOM 193 N VAL A 14 1.297 -5.508 -3.783 1.00 0.00 N ATOM 194 CA VAL A 14 1.981 -4.543 -2.945 1.00 0.00 C ATOM 195 C VAL A 14 1.090 -3.340 -2.655 1.00 0.00 C ATOM 196 O VAL A 14 1.063 -2.826 -1.533 1.00 0.00 O ATOM 197 CB VAL A 14 3.278 -4.082 -3.630 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.935 -2.953 -2.863 1.00 0.00 C ATOM 199 CG2 VAL A 14 4.229 -5.253 -3.782 1.00 0.00 C ATOM 0 H VAL A 14 1.764 -5.689 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 14 2.223 -5.024 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 14 3.025 -3.702 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.849 -2.650 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.252 -2.105 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.177 -3.290 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.145 -4.917 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.468 -5.658 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.759 -6.027 -4.389 1.00 0.00 H new ATOM 209 N ALA A 15 0.357 -2.901 -3.671 1.00 0.00 N ATOM 210 CA ALA A 15 -0.584 -1.800 -3.518 1.00 0.00 C ATOM 211 C ALA A 15 -1.605 -2.107 -2.430 1.00 0.00 C ATOM 212 O ALA A 15 -1.908 -1.258 -1.589 1.00 0.00 O ATOM 213 CB ALA A 15 -1.283 -1.510 -4.838 1.00 0.00 C ATOM 0 H ALA A 15 0.397 -3.292 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.025 -0.913 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.983 -0.685 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.542 -1.240 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.826 -2.397 -5.165 1.00 0.00 H new ATOM 219 N THR A 16 -2.110 -3.334 -2.439 1.00 0.00 N ATOM 220 CA THR A 16 -3.066 -3.783 -1.440 1.00 0.00 C ATOM 221 C THR A 16 -2.454 -3.729 -0.038 1.00 0.00 C ATOM 222 O THR A 16 -3.135 -3.413 0.942 1.00 0.00 O ATOM 223 CB THR A 16 -3.547 -5.212 -1.755 1.00 0.00 C ATOM 224 OG1 THR A 16 -4.009 -5.270 -3.113 1.00 0.00 O ATOM 225 CG2 THR A 16 -4.674 -5.635 -0.824 1.00 0.00 C ATOM 0 H THR A 16 -1.869 -4.040 -3.135 1.00 0.00 H new ATOM 0 HA THR A 16 -3.924 -3.111 -1.468 1.00 0.00 H new ATOM 0 HB THR A 16 -2.708 -5.893 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.240 -5.258 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.991 -6.648 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.323 -5.607 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.516 -4.953 -0.939 1.00 0.00 H new ATOM 233 N HIS A 17 -1.158 -4.010 0.045 1.00 0.00 N ATOM 234 CA HIS A 17 -0.442 -3.970 1.314 1.00 0.00 C ATOM 235 C HIS A 17 -0.343 -2.543 1.844 1.00 0.00 C ATOM 236 O HIS A 17 -0.597 -2.293 3.021 1.00 0.00 O ATOM 237 CB HIS A 17 0.959 -4.562 1.146 1.00 0.00 C ATOM 238 CG HIS A 17 1.738 -4.677 2.424 1.00 0.00 C ATOM 239 ND1 HIS A 17 1.157 -4.874 3.658 1.00 0.00 N ATOM 240 CD2 HIS A 17 3.070 -4.624 2.648 1.00 0.00 C ATOM 241 CE1 HIS A 17 2.097 -4.946 4.582 1.00 0.00 C ATOM 242 NE2 HIS A 17 3.268 -4.796 3.996 1.00 0.00 N ATOM 0 H HIS A 17 -0.581 -4.269 -0.755 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.001 -4.565 2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.871 -5.551 0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.521 -3.943 0.446 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.838 -4.474 1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.934 -5.101 5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.173 -4.806 4.467 1.00 0.00 H new ATOM 251 N PHE A 18 -0.003 -1.608 0.968 1.00 0.00 N ATOM 252 CA PHE A 18 0.234 -0.236 1.387 1.00 0.00 C ATOM 253 C PHE A 18 -1.056 0.429 1.822 1.00 0.00 C ATOM 254 O PHE A 18 -1.117 1.034 2.889 1.00 0.00 O ATOM 255 CB PHE A 18 0.906 0.570 0.278 1.00 0.00 C ATOM 256 CG PHE A 18 2.401 0.562 0.376 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.135 -0.514 -0.089 1.00 0.00 C ATOM 258 CD2 PHE A 18 3.071 1.635 0.939 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.511 -0.522 0.006 1.00 0.00 C ATOM 260 CE2 PHE A 18 4.448 1.632 1.037 1.00 0.00 C ATOM 261 CZ PHE A 18 5.169 0.552 0.569 1.00 0.00 C ATOM 0 H PHE A 18 0.114 -1.774 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 18 0.909 -0.263 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.608 0.166 -0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.550 1.599 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.625 -1.357 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.511 2.483 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.073 -1.368 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.960 2.474 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.246 0.548 0.643 1.00 0.00 H new ATOM 271 N ARG A 19 -2.098 0.266 1.020 1.00 0.00 N ATOM 272 CA ARG A 19 -3.388 0.881 1.308 1.00 0.00 C ATOM 273 C ARG A 19 -3.956 0.382 2.639 1.00 0.00 C ATOM 274 O ARG A 19 -4.833 1.015 3.228 1.00 0.00 O ATOM 275 CB ARG A 19 -4.371 0.595 0.177 1.00 0.00 C ATOM 276 CG ARG A 19 -3.946 1.171 -1.164 1.00 0.00 C ATOM 277 CD ARG A 19 -4.954 0.850 -2.257 1.00 0.00 C ATOM 278 NE ARG A 19 -5.214 -0.587 -2.358 1.00 0.00 N ATOM 279 CZ ARG A 19 -5.549 -1.215 -3.485 1.00 0.00 C ATOM 280 NH1 ARG A 19 -5.657 -0.541 -4.627 1.00 0.00 N ATOM 281 NH2 ARG A 19 -5.780 -2.522 -3.468 1.00 0.00 N ATOM 0 H ARG A 19 -2.077 -0.287 0.163 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.238 1.958 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.492 -0.484 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.346 1.002 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.835 2.252 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.970 0.771 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.888 1.374 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.582 1.219 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.133 -1.146 -1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.483 0.464 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.914 -1.029 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.701 -3.043 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.037 -3.006 -4.329 1.00 0.00 H new ATOM 295 N THR A 20 -3.457 -0.755 3.107 1.00 0.00 N ATOM 296 CA THR A 20 -3.875 -1.296 4.390 1.00 0.00 C ATOM 297 C THR A 20 -3.054 -0.691 5.534 1.00 0.00 C ATOM 298 O THR A 20 -3.608 -0.176 6.506 1.00 0.00 O ATOM 299 CB THR A 20 -3.733 -2.833 4.423 1.00 0.00 C ATOM 300 OG1 THR A 20 -4.434 -3.422 3.316 1.00 0.00 O ATOM 301 CG2 THR A 20 -4.274 -3.403 5.728 1.00 0.00 C ATOM 0 H THR A 20 -2.763 -1.319 2.616 1.00 0.00 H new ATOM 0 HA THR A 20 -4.925 -1.034 4.522 1.00 0.00 H new ATOM 0 HB THR A 20 -2.672 -3.073 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.915 -3.295 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.162 -4.487 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.719 -2.983 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.329 -3.147 5.827 1.00 0.00 H new ATOM 309 N LEU A 21 -1.729 -0.729 5.399 1.00 0.00 N ATOM 310 CA LEU A 21 -0.837 -0.331 6.488 1.00 0.00 C ATOM 311 C LEU A 21 -0.837 1.180 6.726 1.00 0.00 C ATOM 312 O LEU A 21 -0.480 1.637 7.815 1.00 0.00 O ATOM 313 CB LEU A 21 0.588 -0.850 6.231 1.00 0.00 C ATOM 314 CG LEU A 21 1.204 -0.501 4.873 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.690 0.934 4.848 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.348 -1.444 4.544 1.00 0.00 C ATOM 0 H LEU A 21 -1.251 -1.030 4.550 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.219 -0.788 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.240 -0.460 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.580 -1.935 6.334 1.00 0.00 H new ATOM 0 HG LEU A 21 0.427 -0.615 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.123 1.155 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.852 1.605 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.446 1.076 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.771 -1.178 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.118 -1.363 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.977 -2.468 4.509 1.00 0.00 H new ATOM 328 N ILE A 22 -1.233 1.950 5.716 1.00 0.00 N ATOM 329 CA ILE A 22 -1.286 3.405 5.841 1.00 0.00 C ATOM 330 C ILE A 22 -2.261 3.818 6.941 1.00 0.00 C ATOM 331 O ILE A 22 -1.938 4.646 7.791 1.00 0.00 O ATOM 332 CB ILE A 22 -1.684 4.081 4.506 1.00 0.00 C ATOM 333 CG1 ILE A 22 -0.574 3.908 3.463 1.00 0.00 C ATOM 334 CG2 ILE A 22 -1.997 5.559 4.712 1.00 0.00 C ATOM 335 CD1 ILE A 22 0.772 4.431 3.913 1.00 0.00 C ATOM 0 H ILE A 22 -1.521 1.593 4.805 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.284 3.742 6.106 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.586 3.593 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.479 2.850 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.865 4.422 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.273 6.009 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.824 5.661 5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.118 6.065 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.506 4.274 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.694 5.496 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.087 3.900 4.812 1.00 0.00 H new ATOM 347 N LYS A 23 -3.440 3.210 6.949 1.00 0.00 N ATOM 348 CA LYS A 23 -4.441 3.523 7.962 1.00 0.00 C ATOM 349 C LYS A 23 -4.201 2.700 9.223 1.00 0.00 C ATOM 350 O LYS A 23 -4.940 2.800 10.199 1.00 0.00 O ATOM 351 CB LYS A 23 -5.852 3.269 7.430 1.00 0.00 C ATOM 352 CG LYS A 23 -6.103 1.830 7.000 1.00 0.00 C ATOM 353 CD LYS A 23 -7.566 1.603 6.662 1.00 0.00 C ATOM 354 CE LYS A 23 -7.833 0.165 6.253 1.00 0.00 C ATOM 355 NZ LYS A 23 -9.285 -0.095 6.074 1.00 0.00 N ATOM 0 H LYS A 23 -3.726 2.503 6.272 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.350 4.581 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.574 3.538 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.033 3.928 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.486 1.594 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.802 1.152 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.182 1.856 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.860 2.272 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.307 -0.053 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.433 -0.509 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.428 -1.087 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.783 0.089 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.661 0.531 5.333 1.00 0.00 H new ATOM 369 N SER A 24 -3.151 1.895 9.188 1.00 0.00 N ATOM 370 CA SER A 24 -2.789 1.039 10.307 1.00 0.00 C ATOM 371 C SER A 24 -1.707 1.722 11.147 1.00 0.00 C ATOM 372 O SER A 24 -1.019 1.074 11.932 1.00 0.00 O ATOM 373 CB SER A 24 -2.306 -0.319 9.771 1.00 0.00 C ATOM 374 OG SER A 24 -2.052 -1.249 10.811 1.00 0.00 O ATOM 0 H SER A 24 -2.527 1.816 8.385 1.00 0.00 H new ATOM 0 HA SER A 24 -3.656 0.869 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.057 -0.729 9.096 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.397 -0.174 9.186 1.00 0.00 H new ATOM 0 HG SER A 24 -1.096 -1.464 10.831 1.00 0.00 H new ATOM 380 N GLY A 25 -1.687 3.061 11.056 1.00 0.00 N ATOM 381 CA GLY A 25 -0.646 3.942 11.618 1.00 0.00 C ATOM 382 C GLY A 25 0.726 3.324 11.891 1.00 0.00 C ATOM 383 O GLY A 25 1.460 3.796 12.761 1.00 0.00 O ATOM 0 H GLY A 25 -2.420 3.580 10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.508 4.780 10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.022 4.354 12.554 1.00 0.00 H new ATOM 387 N GLU A 26 1.071 2.275 11.165 1.00 0.00 N ATOM 388 CA GLU A 26 2.408 1.705 11.236 1.00 0.00 C ATOM 389 C GLU A 26 3.323 2.450 10.279 1.00 0.00 C ATOM 390 O GLU A 26 4.507 2.653 10.554 1.00 0.00 O ATOM 391 CB GLU A 26 2.381 0.201 10.952 1.00 0.00 C ATOM 392 CG GLU A 26 1.640 -0.196 9.685 1.00 0.00 C ATOM 393 CD GLU A 26 1.346 -1.681 9.638 1.00 0.00 C ATOM 394 OE1 GLU A 26 0.408 -2.121 10.338 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.046 -2.416 8.913 1.00 0.00 O ATOM 0 H GLU A 26 0.443 1.799 10.518 1.00 0.00 H new ATOM 0 HA GLU A 26 2.799 1.822 12.247 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.407 -0.160 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.920 -0.306 11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.705 0.360 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.235 0.083 8.815 1.00 0.00 H new ATOM 402 N LEU A 27 2.759 2.869 9.158 1.00 0.00 N ATOM 403 CA LEU A 27 3.411 3.825 8.291 1.00 0.00 C ATOM 404 C LEU A 27 2.675 5.148 8.379 1.00 0.00 C ATOM 405 O LEU A 27 1.918 5.514 7.482 1.00 0.00 O ATOM 406 CB LEU A 27 3.460 3.345 6.838 1.00 0.00 C ATOM 407 CG LEU A 27 4.625 2.418 6.484 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.464 1.057 7.140 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.737 2.281 4.975 1.00 0.00 C ATOM 0 H LEU A 27 1.845 2.557 8.829 1.00 0.00 H new ATOM 0 HA LEU A 27 4.442 3.942 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.527 2.828 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.504 4.218 6.187 1.00 0.00 H new ATOM 0 HG LEU A 27 5.545 2.859 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.307 0.421 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.432 1.177 8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.537 0.596 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.568 1.620 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.812 1.863 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.911 3.262 4.533 1.00 0.00 H new ATOM 421 N ALA A 28 2.851 5.820 9.507 1.00 0.00 N ATOM 422 CA ALA A 28 2.240 7.123 9.729 1.00 0.00 C ATOM 423 C ALA A 28 2.781 8.142 8.734 1.00 0.00 C ATOM 424 O ALA A 28 3.918 8.023 8.268 1.00 0.00 O ATOM 425 CB ALA A 28 2.496 7.582 11.157 1.00 0.00 C ATOM 0 H ALA A 28 3.415 5.483 10.287 1.00 0.00 H new ATOM 0 HA ALA A 28 1.164 7.037 9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.035 8.557 11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.066 6.862 11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.570 7.656 11.328 1.00 0.00 H new ATOM 431 N PRO A 29 1.996 9.180 8.419 1.00 0.00 N ATOM 432 CA PRO A 29 2.390 10.178 7.433 1.00 0.00 C ATOM 433 C PRO A 29 3.435 11.129 7.997 1.00 0.00 C ATOM 434 O PRO A 29 3.225 11.779 9.026 1.00 0.00 O ATOM 435 CB PRO A 29 1.085 10.934 7.125 1.00 0.00 C ATOM 436 CG PRO A 29 -0.002 10.183 7.830 1.00 0.00 C ATOM 437 CD PRO A 29 0.662 9.453 8.960 1.00 0.00 C ATOM 0 HA PRO A 29 2.840 9.728 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.139 11.964 7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.900 10.972 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.768 10.864 8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.497 9.486 7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.707 10.060 9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.133 8.536 9.217 1.00 0.00 H new ATOM 445 N GLY A 30 4.562 11.197 7.314 1.00 0.00 N ATOM 446 CA GLY A 30 5.696 11.946 7.800 1.00 0.00 C ATOM 447 C GLY A 30 6.903 11.052 7.973 1.00 0.00 C ATOM 448 O GLY A 30 8.016 11.531 8.192 1.00 0.00 O ATOM 0 H GLY A 30 4.713 10.738 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.931 12.750 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.446 12.414 8.752 1.00 0.00 H new ATOM 452 N ASP A 31 6.676 9.746 7.862 1.00 0.00 N ATOM 453 CA ASP A 31 7.737 8.759 8.014 1.00 0.00 C ATOM 454 C ASP A 31 8.232 8.343 6.632 1.00 0.00 C ATOM 455 O ASP A 31 7.544 8.572 5.639 1.00 0.00 O ATOM 456 CB ASP A 31 7.212 7.543 8.791 1.00 0.00 C ATOM 457 CG ASP A 31 8.319 6.694 9.382 1.00 0.00 C ATOM 458 OD1 ASP A 31 9.050 7.202 10.258 1.00 0.00 O ATOM 459 OD2 ASP A 31 8.452 5.513 8.999 1.00 0.00 O ATOM 0 H ASP A 31 5.758 9.346 7.666 1.00 0.00 H new ATOM 0 HA ASP A 31 8.567 9.190 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.558 7.886 9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.606 6.928 8.126 1.00 0.00 H new ATOM 464 N THR A 32 9.418 7.760 6.557 1.00 0.00 N ATOM 465 CA THR A 32 9.976 7.365 5.269 1.00 0.00 C ATOM 466 C THR A 32 9.409 6.030 4.801 1.00 0.00 C ATOM 467 O THR A 32 8.749 5.321 5.563 1.00 0.00 O ATOM 468 CB THR A 32 11.511 7.269 5.320 1.00 0.00 C ATOM 469 OG1 THR A 32 11.924 6.539 6.483 1.00 0.00 O ATOM 470 CG2 THR A 32 12.142 8.651 5.327 1.00 0.00 C ATOM 0 H THR A 32 10.009 7.551 7.362 1.00 0.00 H new ATOM 0 HA THR A 32 9.693 8.142 4.559 1.00 0.00 H new ATOM 0 HB THR A 32 11.847 6.741 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.902 6.483 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.227 8.555 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.855 9.187 4.422 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.797 9.204 6.201 1.00 0.00 H new ATOM 478 N LEU A 33 9.655 5.705 3.540 1.00 0.00 N ATOM 479 CA LEU A 33 9.268 4.415 2.988 1.00 0.00 C ATOM 480 C LEU A 33 10.041 3.295 3.669 1.00 0.00 C ATOM 481 O LEU A 33 11.237 3.426 3.940 1.00 0.00 O ATOM 482 CB LEU A 33 9.531 4.378 1.480 1.00 0.00 C ATOM 483 CG LEU A 33 8.359 4.781 0.575 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.417 3.615 0.370 1.00 0.00 C ATOM 485 CD2 LEU A 33 7.600 5.962 1.154 1.00 0.00 C ATOM 0 H LEU A 33 10.124 6.321 2.876 1.00 0.00 H new ATOM 0 HA LEU A 33 8.202 4.273 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.372 5.036 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.839 3.368 1.211 1.00 0.00 H new ATOM 0 HG LEU A 33 8.773 5.076 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.593 3.922 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.955 2.790 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.023 3.292 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.776 6.225 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.206 5.696 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.273 6.814 1.252 1.00 0.00 H new ATOM 497 N PRO A 34 9.368 2.177 3.945 1.00 0.00 N ATOM 498 CA PRO A 34 9.990 1.023 4.583 1.00 0.00 C ATOM 499 C PRO A 34 10.836 0.234 3.604 1.00 0.00 C ATOM 500 O PRO A 34 10.752 0.434 2.388 1.00 0.00 O ATOM 501 CB PRO A 34 8.795 0.178 5.033 1.00 0.00 C ATOM 502 CG PRO A 34 7.694 0.540 4.098 1.00 0.00 C ATOM 503 CD PRO A 34 7.940 1.966 3.679 1.00 0.00 C ATOM 0 HA PRO A 34 10.657 1.312 5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.023 -0.887 4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.524 0.396 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.686 -0.123 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.724 0.440 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.704 2.118 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.322 2.661 4.248 1.00 0.00 H new ATOM 511 N SER A 35 11.667 -0.642 4.127 1.00 0.00 N ATOM 512 CA SER A 35 12.469 -1.500 3.285 1.00 0.00 C ATOM 513 C SER A 35 11.582 -2.581 2.681 1.00 0.00 C ATOM 514 O SER A 35 10.525 -2.896 3.236 1.00 0.00 O ATOM 515 CB SER A 35 13.614 -2.095 4.097 1.00 0.00 C ATOM 516 OG SER A 35 14.388 -1.057 4.681 1.00 0.00 O ATOM 0 H SER A 35 11.804 -0.778 5.129 1.00 0.00 H new ATOM 0 HA SER A 35 12.907 -0.925 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.218 -2.746 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.243 -2.712 3.455 1.00 0.00 H new ATOM 0 HG SER A 35 15.120 -1.448 5.202 1.00 0.00 H new ATOM 522 N VAL A 36 12.003 -3.134 1.546 1.00 0.00 N ATOM 523 CA VAL A 36 11.185 -4.090 0.793 1.00 0.00 C ATOM 524 C VAL A 36 10.684 -5.252 1.656 1.00 0.00 C ATOM 525 O VAL A 36 9.680 -5.880 1.324 1.00 0.00 O ATOM 526 CB VAL A 36 11.946 -4.658 -0.429 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.246 -3.556 -1.434 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.229 -5.359 -0.003 1.00 0.00 C ATOM 0 H VAL A 36 12.910 -2.937 1.123 1.00 0.00 H new ATOM 0 HA VAL A 36 10.320 -3.523 0.449 1.00 0.00 H new ATOM 0 HB VAL A 36 11.304 -5.397 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.781 -3.976 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.311 -3.111 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.860 -2.790 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.741 -5.747 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.878 -4.650 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.988 -6.183 0.669 1.00 0.00 H new ATOM 538 N ALA A 37 11.376 -5.524 2.758 1.00 0.00 N ATOM 539 CA ALA A 37 11.012 -6.613 3.658 1.00 0.00 C ATOM 540 C ALA A 37 9.577 -6.477 4.168 1.00 0.00 C ATOM 541 O ALA A 37 8.787 -7.409 4.037 1.00 0.00 O ATOM 542 CB ALA A 37 11.979 -6.680 4.829 1.00 0.00 C ATOM 0 H ALA A 37 12.200 -4.999 3.051 1.00 0.00 H new ATOM 0 HA ALA A 37 11.074 -7.540 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.693 -7.498 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.989 -6.850 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.949 -5.740 5.380 1.00 0.00 H new ATOM 548 N ASP A 38 9.234 -5.313 4.723 1.00 0.00 N ATOM 549 CA ASP A 38 7.904 -5.107 5.312 1.00 0.00 C ATOM 550 C ASP A 38 6.809 -5.346 4.282 1.00 0.00 C ATOM 551 O ASP A 38 5.700 -5.763 4.619 1.00 0.00 O ATOM 552 CB ASP A 38 7.755 -3.696 5.892 1.00 0.00 C ATOM 553 CG ASP A 38 8.683 -3.439 7.063 1.00 0.00 C ATOM 554 OD1 ASP A 38 8.313 -3.796 8.204 1.00 0.00 O ATOM 555 OD2 ASP A 38 9.783 -2.889 6.846 1.00 0.00 O ATOM 0 H ASP A 38 9.851 -4.503 4.778 1.00 0.00 H new ATOM 0 HA ASP A 38 7.801 -5.829 6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.954 -2.964 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.724 -3.547 6.212 1.00 0.00 H new ATOM 560 N ILE A 39 7.123 -5.076 3.027 1.00 0.00 N ATOM 561 CA ILE A 39 6.193 -5.295 1.943 1.00 0.00 C ATOM 562 C ILE A 39 6.173 -6.767 1.545 1.00 0.00 C ATOM 563 O ILE A 39 5.144 -7.427 1.658 1.00 0.00 O ATOM 564 CB ILE A 39 6.534 -4.440 0.691 1.00 0.00 C ATOM 565 CG1 ILE A 39 6.571 -2.943 1.017 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.526 -4.690 -0.421 1.00 0.00 C ATOM 567 CD1 ILE A 39 7.853 -2.482 1.674 1.00 0.00 C ATOM 0 H ILE A 39 8.026 -4.701 2.736 1.00 0.00 H new ATOM 0 HA ILE A 39 5.212 -4.991 2.308 1.00 0.00 H new ATOM 0 HB ILE A 39 7.527 -4.744 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.425 -2.379 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.734 -2.705 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.783 -4.082 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.544 -5.744 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.528 -4.424 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.796 -1.411 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.993 -3.017 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.695 -2.685 1.012 1.00 0.00 H new ATOM 579 N ARG A 40 7.326 -7.282 1.134 1.00 0.00 N ATOM 580 CA ARG A 40 7.395 -8.578 0.463 1.00 0.00 C ATOM 581 C ARG A 40 7.315 -9.760 1.425 1.00 0.00 C ATOM 582 O ARG A 40 7.010 -10.877 1.009 1.00 0.00 O ATOM 583 CB ARG A 40 8.667 -8.678 -0.381 1.00 0.00 C ATOM 584 CG ARG A 40 9.951 -8.848 0.409 1.00 0.00 C ATOM 585 CD ARG A 40 11.133 -9.030 -0.524 1.00 0.00 C ATOM 586 NE ARG A 40 12.392 -9.186 0.197 1.00 0.00 N ATOM 587 CZ ARG A 40 13.523 -9.604 -0.365 1.00 0.00 C ATOM 588 NH1 ARG A 40 13.545 -9.943 -1.647 1.00 0.00 N ATOM 589 NH2 ARG A 40 14.625 -9.691 0.366 1.00 0.00 N ATOM 0 H ARG A 40 8.229 -6.822 1.253 1.00 0.00 H new ATOM 0 HA ARG A 40 6.518 -8.635 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.565 -9.520 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.751 -7.779 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.112 -7.976 1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.866 -9.711 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.966 -9.906 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.203 -8.170 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 40 12.406 -8.961 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.693 -9.884 -2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.414 -10.263 -2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.603 -9.438 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.495 -10.011 -0.059 1.00 0.00 H new ATOM 603 N ALA A 41 7.598 -9.535 2.696 1.00 0.00 N ATOM 604 CA ALA A 41 7.529 -10.619 3.665 1.00 0.00 C ATOM 605 C ALA A 41 6.085 -10.918 4.022 1.00 0.00 C ATOM 606 O ALA A 41 5.695 -12.075 4.170 1.00 0.00 O ATOM 607 CB ALA A 41 8.334 -10.292 4.911 1.00 0.00 C ATOM 0 H ALA A 41 7.873 -8.630 3.078 1.00 0.00 H new ATOM 0 HA ALA A 41 7.965 -11.508 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.264 -11.120 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.378 -10.134 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.939 -9.387 5.372 1.00 0.00 H new ATOM 613 N GLN A 42 5.294 -9.865 4.156 1.00 0.00 N ATOM 614 CA GLN A 42 3.871 -10.012 4.401 1.00 0.00 C ATOM 615 C GLN A 42 3.172 -10.344 3.097 1.00 0.00 C ATOM 616 O GLN A 42 2.554 -11.401 2.946 1.00 0.00 O ATOM 617 CB GLN A 42 3.297 -8.719 4.981 1.00 0.00 C ATOM 618 CG GLN A 42 3.828 -8.380 6.362 1.00 0.00 C ATOM 619 CD GLN A 42 3.431 -9.402 7.409 1.00 0.00 C ATOM 620 OE1 GLN A 42 2.378 -9.286 8.035 1.00 0.00 O ATOM 621 NE2 GLN A 42 4.266 -10.409 7.599 1.00 0.00 N ATOM 0 H GLN A 42 5.615 -8.899 4.099 1.00 0.00 H new ATOM 0 HA GLN A 42 3.712 -10.817 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.522 -7.896 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.211 -8.804 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.915 -8.311 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.457 -7.399 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.128 -10.466 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.048 -11.130 8.287 1.00 0.00 H new ATOM 630 N PHE A 43 3.272 -9.415 2.168 1.00 0.00 N ATOM 631 CA PHE A 43 2.741 -9.583 0.836 1.00 0.00 C ATOM 632 C PHE A 43 3.811 -10.153 -0.081 1.00 0.00 C ATOM 633 O PHE A 43 4.743 -9.459 -0.466 1.00 0.00 O ATOM 634 CB PHE A 43 2.195 -8.250 0.330 1.00 0.00 C ATOM 635 CG PHE A 43 0.804 -7.978 0.846 1.00 0.00 C ATOM 636 CD1 PHE A 43 0.557 -7.877 2.208 1.00 0.00 C ATOM 637 CD2 PHE A 43 -0.259 -7.848 -0.030 1.00 0.00 C ATOM 638 CE1 PHE A 43 -0.721 -7.646 2.681 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.539 -7.619 0.436 1.00 0.00 C ATOM 640 CZ PHE A 43 -1.769 -7.516 1.794 1.00 0.00 C ATOM 0 H PHE A 43 3.728 -8.516 2.320 1.00 0.00 H new ATOM 0 HA PHE A 43 1.915 -10.294 0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.861 -7.444 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.183 -8.253 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.374 -7.980 2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.086 -7.927 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.899 -7.567 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.359 -7.521 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.768 -7.334 2.161 1.00 0.00 H new ATOM 650 N GLY A 44 3.667 -11.433 -0.389 1.00 0.00 N ATOM 651 CA GLY A 44 4.686 -12.175 -1.113 1.00 0.00 C ATOM 652 C GLY A 44 4.991 -11.621 -2.486 1.00 0.00 C ATOM 653 O GLY A 44 4.356 -11.996 -3.475 1.00 0.00 O ATOM 0 H GLY A 44 2.844 -11.984 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.603 -12.183 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.363 -13.211 -1.214 1.00 0.00 H new ATOM 657 N VAL A 45 5.971 -10.736 -2.538 1.00 0.00 N ATOM 658 CA VAL A 45 6.435 -10.154 -3.788 1.00 0.00 C ATOM 659 C VAL A 45 7.957 -10.156 -3.825 1.00 0.00 C ATOM 660 O VAL A 45 8.606 -10.590 -2.871 1.00 0.00 O ATOM 661 CB VAL A 45 5.929 -8.705 -3.975 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.427 -8.671 -4.195 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.299 -7.848 -2.780 1.00 0.00 C ATOM 0 H VAL A 45 6.469 -10.399 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 45 6.034 -10.762 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 45 6.414 -8.299 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.101 -7.639 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.177 -9.244 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.923 -9.106 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.933 -6.833 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.847 -8.265 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.383 -7.830 -2.667 1.00 0.00 H new ATOM 673 N ALA A 46 8.523 -9.684 -4.926 1.00 0.00 N ATOM 674 CA ALA A 46 9.962 -9.534 -5.030 1.00 0.00 C ATOM 675 C ALA A 46 10.352 -8.107 -4.664 1.00 0.00 C ATOM 676 O ALA A 46 9.516 -7.333 -4.198 1.00 0.00 O ATOM 677 CB ALA A 46 10.437 -9.894 -6.428 1.00 0.00 C ATOM 0 H ALA A 46 8.006 -9.399 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 46 10.447 -10.217 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.519 -9.775 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.173 -10.929 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.960 -9.237 -7.155 1.00 0.00 H new ATOM 683 N ALA A 47 11.604 -7.747 -4.891 1.00 0.00 N ATOM 684 CA ALA A 47 12.088 -6.434 -4.495 1.00 0.00 C ATOM 685 C ALA A 47 11.641 -5.379 -5.494 1.00 0.00 C ATOM 686 O ALA A 47 11.235 -4.279 -5.115 1.00 0.00 O ATOM 687 CB ALA A 47 13.604 -6.445 -4.370 1.00 0.00 C ATOM 0 H ALA A 47 12.300 -8.340 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 47 11.663 -6.186 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.952 -5.456 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.902 -7.175 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.046 -6.712 -5.330 1.00 0.00 H new ATOM 693 N LYS A 48 11.686 -5.729 -6.771 1.00 0.00 N ATOM 694 CA LYS A 48 11.285 -4.807 -7.822 1.00 0.00 C ATOM 695 C LYS A 48 9.768 -4.700 -7.894 1.00 0.00 C ATOM 696 O LYS A 48 9.235 -3.708 -8.388 1.00 0.00 O ATOM 697 CB LYS A 48 11.847 -5.239 -9.176 1.00 0.00 C ATOM 698 CG LYS A 48 13.358 -5.407 -9.174 1.00 0.00 C ATOM 699 CD LYS A 48 13.908 -5.606 -10.577 1.00 0.00 C ATOM 700 CE LYS A 48 13.751 -4.347 -11.411 1.00 0.00 C ATOM 701 NZ LYS A 48 14.370 -4.485 -12.754 1.00 0.00 N ATOM 0 H LYS A 48 11.995 -6.642 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 48 11.694 -3.827 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.384 -6.181 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.572 -4.500 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.820 -4.528 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.627 -6.262 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.962 -5.880 -10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.388 -6.433 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.691 -4.117 -11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.206 -3.507 -10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.239 -3.603 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.386 -4.679 -12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.918 -5.270 -13.265 1.00 0.00 H new ATOM 715 N THR A 49 9.078 -5.721 -7.394 1.00 0.00 N ATOM 716 CA THR A 49 7.621 -5.718 -7.358 1.00 0.00 C ATOM 717 C THR A 49 7.120 -4.625 -6.416 1.00 0.00 C ATOM 718 O THR A 49 6.165 -3.908 -6.724 1.00 0.00 O ATOM 719 CB THR A 49 7.078 -7.075 -6.885 1.00 0.00 C ATOM 720 OG1 THR A 49 7.896 -8.137 -7.401 1.00 0.00 O ATOM 721 CG2 THR A 49 5.643 -7.272 -7.347 1.00 0.00 C ATOM 0 H THR A 49 9.507 -6.562 -7.008 1.00 0.00 H new ATOM 0 HA THR A 49 7.263 -5.527 -8.370 1.00 0.00 H new ATOM 0 HB THR A 49 7.101 -7.091 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.345 -8.935 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.279 -8.239 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.017 -6.480 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.603 -7.238 -8.436 1.00 0.00 H new ATOM 729 N VAL A 50 7.786 -4.502 -5.272 1.00 0.00 N ATOM 730 CA VAL A 50 7.469 -3.478 -4.288 1.00 0.00 C ATOM 731 C VAL A 50 7.612 -2.084 -4.894 1.00 0.00 C ATOM 732 O VAL A 50 6.671 -1.287 -4.898 1.00 0.00 O ATOM 733 CB VAL A 50 8.411 -3.592 -3.073 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.153 -2.477 -2.074 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.282 -4.956 -2.411 1.00 0.00 C ATOM 0 H VAL A 50 8.560 -5.110 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 50 6.438 -3.629 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 50 9.434 -3.487 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.832 -2.583 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.319 -1.513 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.123 -2.535 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.957 -5.011 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.256 -5.101 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.541 -5.735 -3.129 1.00 0.00 H new ATOM 745 N SER A 51 8.795 -1.814 -5.426 1.00 0.00 N ATOM 746 CA SER A 51 9.110 -0.516 -6.009 1.00 0.00 C ATOM 747 C SER A 51 8.291 -0.251 -7.275 1.00 0.00 C ATOM 748 O SER A 51 8.249 0.876 -7.770 1.00 0.00 O ATOM 749 CB SER A 51 10.607 -0.435 -6.330 1.00 0.00 C ATOM 750 OG SER A 51 10.966 0.856 -6.793 1.00 0.00 O ATOM 0 H SER A 51 9.562 -2.485 -5.466 1.00 0.00 H new ATOM 0 HA SER A 51 8.851 0.249 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.186 -0.678 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.860 -1.178 -7.086 1.00 0.00 H new ATOM 0 HG SER A 51 10.165 1.325 -7.109 1.00 0.00 H new ATOM 756 N ARG A 52 7.635 -1.284 -7.787 1.00 0.00 N ATOM 757 CA ARG A 52 6.847 -1.159 -9.006 1.00 0.00 C ATOM 758 C ARG A 52 5.470 -0.590 -8.687 1.00 0.00 C ATOM 759 O ARG A 52 4.910 0.191 -9.460 1.00 0.00 O ATOM 760 CB ARG A 52 6.725 -2.520 -9.703 1.00 0.00 C ATOM 761 CG ARG A 52 5.892 -2.495 -10.972 1.00 0.00 C ATOM 762 CD ARG A 52 6.428 -1.491 -11.980 1.00 0.00 C ATOM 763 NE ARG A 52 5.610 -1.458 -13.187 1.00 0.00 N ATOM 764 CZ ARG A 52 4.538 -0.685 -13.334 1.00 0.00 C ATOM 765 NH1 ARG A 52 4.166 0.142 -12.363 1.00 0.00 N ATOM 766 NH2 ARG A 52 3.840 -0.728 -14.455 1.00 0.00 N ATOM 0 H ARG A 52 7.633 -2.218 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 52 7.354 -0.472 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.724 -2.883 -9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.286 -3.234 -9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.882 -3.489 -11.419 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.860 -2.246 -10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.453 -0.499 -11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.454 -1.749 -12.241 1.00 0.00 H new ATOM 0 HE ARG A 52 5.876 -2.063 -13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.704 0.187 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.343 0.732 -12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.123 -1.354 -15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.018 -0.135 -14.567 1.00 0.00 H new ATOM 780 N ALA A 53 4.934 -0.980 -7.541 1.00 0.00 N ATOM 781 CA ALA A 53 3.645 -0.487 -7.091 1.00 0.00 C ATOM 782 C ALA A 53 3.745 0.947 -6.596 1.00 0.00 C ATOM 783 O ALA A 53 2.784 1.703 -6.683 1.00 0.00 O ATOM 784 CB ALA A 53 3.097 -1.378 -5.994 1.00 0.00 C ATOM 0 H ALA A 53 5.377 -1.641 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 53 2.964 -0.505 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.130 -0.997 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.977 -2.392 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.789 -1.386 -5.152 1.00 0.00 H new ATOM 790 N LEU A 54 4.914 1.307 -6.069 1.00 0.00 N ATOM 791 CA LEU A 54 5.153 2.651 -5.532 1.00 0.00 C ATOM 792 C LEU A 54 4.721 3.761 -6.497 1.00 0.00 C ATOM 793 O LEU A 54 4.280 4.827 -6.062 1.00 0.00 O ATOM 794 CB LEU A 54 6.630 2.828 -5.174 1.00 0.00 C ATOM 795 CG LEU A 54 7.152 1.906 -4.070 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.615 2.195 -3.778 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.318 2.051 -2.810 1.00 0.00 C ATOM 0 H LEU A 54 5.718 0.683 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 54 4.540 2.741 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.226 2.665 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.791 3.862 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 54 7.068 0.877 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.967 1.529 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.205 2.034 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.724 3.230 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.706 1.387 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.365 3.082 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.282 1.789 -3.027 1.00 0.00 H new ATOM 809 N ALA A 55 4.832 3.509 -7.797 1.00 0.00 N ATOM 810 CA ALA A 55 4.433 4.490 -8.806 1.00 0.00 C ATOM 811 C ALA A 55 2.926 4.743 -8.771 1.00 0.00 C ATOM 812 O ALA A 55 2.457 5.824 -9.114 1.00 0.00 O ATOM 813 CB ALA A 55 4.854 4.024 -10.189 1.00 0.00 C ATOM 0 H ALA A 55 5.194 2.635 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 55 4.937 5.429 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.551 4.764 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.937 3.904 -10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.377 3.070 -10.412 1.00 0.00 H new ATOM 819 N VAL A 56 2.177 3.735 -8.352 1.00 0.00 N ATOM 820 CA VAL A 56 0.732 3.838 -8.223 1.00 0.00 C ATOM 821 C VAL A 56 0.372 4.318 -6.819 1.00 0.00 C ATOM 822 O VAL A 56 -0.665 4.943 -6.591 1.00 0.00 O ATOM 823 CB VAL A 56 0.067 2.468 -8.495 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.435 2.529 -8.285 1.00 0.00 C ATOM 825 CG2 VAL A 56 0.394 1.990 -9.901 1.00 0.00 C ATOM 0 H VAL A 56 2.553 2.823 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 56 0.365 4.556 -8.956 1.00 0.00 H new ATOM 0 HB VAL A 56 0.471 1.752 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.870 1.550 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.647 2.817 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.868 3.264 -8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.081 1.025 -10.077 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.024 2.714 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.474 1.888 -10.009 1.00 0.00 H new ATOM 835 N LEU A 57 1.274 4.051 -5.889 1.00 0.00 N ATOM 836 CA LEU A 57 1.063 4.335 -4.479 1.00 0.00 C ATOM 837 C LEU A 57 1.228 5.812 -4.180 1.00 0.00 C ATOM 838 O LEU A 57 0.997 6.250 -3.062 1.00 0.00 O ATOM 839 CB LEU A 57 2.025 3.501 -3.629 1.00 0.00 C ATOM 840 CG LEU A 57 1.545 2.085 -3.279 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.689 1.498 -4.389 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.736 1.182 -3.012 1.00 0.00 C ATOM 0 H LEU A 57 2.180 3.628 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 57 0.038 4.063 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.975 3.423 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.221 4.039 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 57 0.932 2.153 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.366 0.495 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.185 2.130 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.271 1.447 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.385 0.180 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.365 1.137 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.314 1.580 -2.178 1.00 0.00 H new ATOM 854 N LYS A 58 1.626 6.582 -5.172 1.00 0.00 N ATOM 855 CA LYS A 58 1.686 8.018 -5.003 1.00 0.00 C ATOM 856 C LYS A 58 0.273 8.568 -4.813 1.00 0.00 C ATOM 857 O LYS A 58 0.043 9.457 -3.996 1.00 0.00 O ATOM 858 CB LYS A 58 2.387 8.675 -6.192 1.00 0.00 C ATOM 859 CG LYS A 58 1.707 8.452 -7.532 1.00 0.00 C ATOM 860 CD LYS A 58 2.511 9.075 -8.656 1.00 0.00 C ATOM 861 CE LYS A 58 1.853 8.857 -10.007 1.00 0.00 C ATOM 862 NZ LYS A 58 2.646 9.461 -11.107 1.00 0.00 N ATOM 0 H LYS A 58 1.909 6.243 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 58 2.272 8.252 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.456 9.747 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.407 8.296 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.590 7.383 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.706 8.883 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.623 10.144 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.513 8.647 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.736 7.788 -10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.853 9.290 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.166 9.292 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.736 10.485 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.592 9.030 -11.130 1.00 0.00 H new ATOM 876 N SER A 59 -0.669 8.025 -5.574 1.00 0.00 N ATOM 877 CA SER A 59 -2.069 8.364 -5.416 1.00 0.00 C ATOM 878 C SER A 59 -2.782 7.389 -4.472 1.00 0.00 C ATOM 879 O SER A 59 -3.395 7.803 -3.491 1.00 0.00 O ATOM 880 CB SER A 59 -2.752 8.394 -6.784 1.00 0.00 C ATOM 881 OG SER A 59 -2.331 7.302 -7.587 1.00 0.00 O ATOM 0 H SER A 59 -0.482 7.344 -6.310 1.00 0.00 H new ATOM 0 HA SER A 59 -2.132 9.354 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.834 8.359 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.521 9.332 -7.289 1.00 0.00 H new ATOM 0 HG SER A 59 -2.782 7.342 -8.456 1.00 0.00 H new ATOM 887 N GLU A 60 -2.679 6.092 -4.763 1.00 0.00 N ATOM 888 CA GLU A 60 -3.447 5.072 -4.040 1.00 0.00 C ATOM 889 C GLU A 60 -2.813 4.688 -2.711 1.00 0.00 C ATOM 890 O GLU A 60 -3.511 4.439 -1.733 1.00 0.00 O ATOM 891 CB GLU A 60 -3.595 3.808 -4.884 1.00 0.00 C ATOM 892 CG GLU A 60 -4.416 3.992 -6.145 1.00 0.00 C ATOM 893 CD GLU A 60 -4.814 2.667 -6.762 1.00 0.00 C ATOM 894 OE1 GLU A 60 -5.299 1.788 -6.020 1.00 0.00 O ATOM 895 OE2 GLU A 60 -4.652 2.497 -7.989 1.00 0.00 O ATOM 0 H GLU A 60 -2.072 5.721 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.422 5.517 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.603 3.451 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.056 3.030 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.312 4.568 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.843 4.572 -6.869 1.00 0.00 H new ATOM 902 N GLY A 61 -1.497 4.613 -2.684 1.00 0.00 N ATOM 903 CA GLY A 61 -0.811 4.143 -1.493 1.00 0.00 C ATOM 904 C GLY A 61 -0.463 5.266 -0.546 1.00 0.00 C ATOM 905 O GLY A 61 0.068 5.024 0.534 1.00 0.00 O ATOM 0 H GLY A 61 -0.887 4.867 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.441 3.419 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.101 3.622 -1.785 1.00 0.00 H new ATOM 909 N LEU A 62 -0.760 6.494 -0.965 1.00 0.00 N ATOM 910 CA LEU A 62 -0.510 7.682 -0.158 1.00 0.00 C ATOM 911 C LEU A 62 0.968 7.811 0.222 1.00 0.00 C ATOM 912 O LEU A 62 1.318 7.873 1.400 1.00 0.00 O ATOM 913 CB LEU A 62 -1.381 7.677 1.104 1.00 0.00 C ATOM 914 CG LEU A 62 -2.852 8.084 0.914 1.00 0.00 C ATOM 915 CD1 LEU A 62 -3.594 7.079 0.047 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.531 8.224 2.265 1.00 0.00 C ATOM 0 H LEU A 62 -1.180 6.692 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.775 8.546 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.355 6.676 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.931 8.350 1.834 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.877 9.046 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.631 7.394 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.120 7.024 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.564 6.098 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.572 8.512 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.488 7.272 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.021 8.988 2.851 1.00 0.00 H new ATOM 928 N VAL A 63 1.835 7.844 -0.779 1.00 0.00 N ATOM 929 CA VAL A 63 3.248 8.111 -0.548 1.00 0.00 C ATOM 930 C VAL A 63 3.703 9.294 -1.393 1.00 0.00 C ATOM 931 O VAL A 63 3.047 9.659 -2.369 1.00 0.00 O ATOM 932 CB VAL A 63 4.140 6.887 -0.841 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.798 5.737 0.094 1.00 0.00 C ATOM 934 CG2 VAL A 63 4.007 6.463 -2.292 1.00 0.00 C ATOM 0 H VAL A 63 1.587 7.690 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 63 3.357 8.346 0.511 1.00 0.00 H new ATOM 0 HB VAL A 63 5.178 7.169 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.438 4.884 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.955 6.048 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.755 5.454 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.644 5.598 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.970 6.201 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.312 7.284 -2.940 1.00 0.00 H new ATOM 944 N SER A 64 4.824 9.883 -1.018 1.00 0.00 N ATOM 945 CA SER A 64 5.276 11.118 -1.627 1.00 0.00 C ATOM 946 C SER A 64 6.740 11.024 -2.054 1.00 0.00 C ATOM 947 O SER A 64 7.563 10.400 -1.376 1.00 0.00 O ATOM 948 CB SER A 64 5.072 12.255 -0.627 1.00 0.00 C ATOM 949 OG SER A 64 5.558 13.491 -1.112 1.00 0.00 O ATOM 0 H SER A 64 5.441 9.522 -0.290 1.00 0.00 H new ATOM 0 HA SER A 64 4.695 11.310 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.010 12.349 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.578 12.010 0.307 1.00 0.00 H new ATOM 0 HG SER A 64 5.833 14.053 -0.358 1.00 0.00 H new ATOM 955 N SER A 65 7.059 11.649 -3.180 1.00 0.00 N ATOM 956 CA SER A 65 8.413 11.641 -3.700 1.00 0.00 C ATOM 957 C SER A 65 9.257 12.715 -3.018 1.00 0.00 C ATOM 958 O SER A 65 9.119 13.903 -3.301 1.00 0.00 O ATOM 959 CB SER A 65 8.398 11.842 -5.221 1.00 0.00 C ATOM 960 OG SER A 65 7.603 12.962 -5.587 1.00 0.00 O ATOM 0 H SER A 65 6.392 12.169 -3.750 1.00 0.00 H new ATOM 0 HA SER A 65 8.863 10.672 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.417 11.984 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.011 10.945 -5.705 1.00 0.00 H new ATOM 0 HG SER A 65 7.800 13.713 -4.989 1.00 0.00 H new ATOM 966 N ARG A 66 10.099 12.291 -2.090 1.00 0.00 N ATOM 967 CA ARG A 66 11.023 13.197 -1.425 1.00 0.00 C ATOM 968 C ARG A 66 12.451 12.756 -1.718 1.00 0.00 C ATOM 969 O ARG A 66 13.291 12.692 -0.824 1.00 0.00 O ATOM 970 CB ARG A 66 10.748 13.214 0.081 1.00 0.00 C ATOM 971 CG ARG A 66 11.338 14.413 0.805 1.00 0.00 C ATOM 972 CD ARG A 66 10.673 15.709 0.369 1.00 0.00 C ATOM 973 NE ARG A 66 9.248 15.746 0.713 1.00 0.00 N ATOM 974 CZ ARG A 66 8.534 16.871 0.813 1.00 0.00 C ATOM 975 NH1 ARG A 66 9.115 18.051 0.608 1.00 0.00 N ATOM 976 NH2 ARG A 66 7.243 16.816 1.126 1.00 0.00 N ATOM 0 H ARG A 66 10.162 11.322 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 66 10.885 14.211 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.670 13.199 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.149 12.302 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.218 14.285 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.409 14.468 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.180 16.551 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.788 15.829 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 66 8.773 14.860 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.107 18.097 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.568 18.909 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.796 15.914 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.700 17.676 1.202 1.00 0.00 H new ATOM 990 N GLY A 67 12.718 12.510 -2.999 1.00 0.00 N ATOM 991 CA GLY A 67 13.953 11.864 -3.429 1.00 0.00 C ATOM 992 C GLY A 67 15.220 12.664 -3.170 1.00 0.00 C ATOM 993 O GLY A 67 16.308 12.233 -3.554 1.00 0.00 O ATOM 0 H GLY A 67 12.087 12.752 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.038 10.903 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.884 11.656 -4.497 1.00 0.00 H new ATOM 997 N ALA A 68 15.101 13.808 -2.517 1.00 0.00 N ATOM 998 CA ALA A 68 16.274 14.561 -2.114 1.00 0.00 C ATOM 999 C ALA A 68 16.887 13.895 -0.890 1.00 0.00 C ATOM 1000 O ALA A 68 18.097 13.679 -0.824 1.00 0.00 O ATOM 1001 CB ALA A 68 15.909 16.006 -1.816 1.00 0.00 C ATOM 0 H ALA A 68 14.211 14.232 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 68 17.001 14.567 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.803 16.553 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.485 16.466 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.177 16.037 -1.009 1.00 0.00 H new ATOM 1007 N LEU A 69 16.040 13.572 0.076 1.00 0.00 N ATOM 1008 CA LEU A 69 16.440 12.726 1.191 1.00 0.00 C ATOM 1009 C LEU A 69 16.125 11.276 0.842 1.00 0.00 C ATOM 1010 O LEU A 69 17.015 10.433 0.722 1.00 0.00 O ATOM 1011 CB LEU A 69 15.702 13.125 2.471 1.00 0.00 C ATOM 1012 CG LEU A 69 15.885 14.581 2.906 1.00 0.00 C ATOM 1013 CD1 LEU A 69 15.124 14.843 4.197 1.00 0.00 C ATOM 1014 CD2 LEU A 69 17.363 14.910 3.080 1.00 0.00 C ATOM 0 H LEU A 69 15.069 13.884 0.110 1.00 0.00 H new ATOM 0 HA LEU A 69 17.509 12.847 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.638 12.936 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.037 12.477 3.281 1.00 0.00 H new ATOM 0 HG LEU A 69 15.483 15.228 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.262 15.882 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.063 14.648 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.501 14.187 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.470 15.950 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.794 14.259 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.884 14.757 2.135 1.00 0.00 H new ATOM 1026 N GLY A 70 14.840 11.023 0.645 1.00 0.00 N ATOM 1027 CA GLY A 70 14.368 9.719 0.240 1.00 0.00 C ATOM 1028 C GLY A 70 12.856 9.673 0.203 1.00 0.00 C ATOM 1029 O GLY A 70 12.200 10.609 0.650 1.00 0.00 O ATOM 0 H GLY A 70 14.102 11.717 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.766 9.475 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.741 8.963 0.931 1.00 0.00 H new ATOM 1033 N THR A 71 12.304 8.593 -0.321 1.00 0.00 N ATOM 1034 CA THR A 71 10.870 8.495 -0.519 1.00 0.00 C ATOM 1035 C THR A 71 10.158 8.380 0.828 1.00 0.00 C ATOM 1036 O THR A 71 10.589 7.635 1.716 1.00 0.00 O ATOM 1037 CB THR A 71 10.512 7.316 -1.458 1.00 0.00 C ATOM 1038 OG1 THR A 71 9.091 7.165 -1.562 1.00 0.00 O ATOM 1039 CG2 THR A 71 11.142 6.008 -0.991 1.00 0.00 C ATOM 0 H THR A 71 12.829 7.770 -0.617 1.00 0.00 H new ATOM 0 HA THR A 71 10.525 9.406 -1.007 1.00 0.00 H new ATOM 0 HB THR A 71 10.919 7.552 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.884 6.417 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.867 5.206 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.227 6.113 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.783 5.769 0.010 1.00 0.00 H new ATOM 1047 N VAL A 72 9.083 9.143 0.988 1.00 0.00 N ATOM 1048 CA VAL A 72 8.426 9.268 2.278 1.00 0.00 C ATOM 1049 C VAL A 72 6.921 9.071 2.154 1.00 0.00 C ATOM 1050 O VAL A 72 6.360 9.153 1.063 1.00 0.00 O ATOM 1051 CB VAL A 72 8.709 10.643 2.915 1.00 0.00 C ATOM 1052 CG1 VAL A 72 10.201 10.819 3.147 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.163 11.770 2.049 1.00 0.00 C ATOM 0 H VAL A 72 8.650 9.683 0.239 1.00 0.00 H new ATOM 0 HA VAL A 72 8.833 8.487 2.920 1.00 0.00 H new ATOM 0 HB VAL A 72 8.199 10.685 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.387 11.794 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.560 10.036 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.728 10.753 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.377 12.728 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.636 11.736 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.085 11.653 1.937 1.00 0.00 H new ATOM 1063 N VAL A 73 6.277 8.808 3.275 1.00 0.00 N ATOM 1064 CA VAL A 73 4.844 8.573 3.298 1.00 0.00 C ATOM 1065 C VAL A 73 4.104 9.833 3.726 1.00 0.00 C ATOM 1066 O VAL A 73 4.250 10.286 4.859 1.00 0.00 O ATOM 1067 CB VAL A 73 4.483 7.432 4.273 1.00 0.00 C ATOM 1068 CG1 VAL A 73 2.991 7.153 4.253 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.265 6.170 3.947 1.00 0.00 C ATOM 0 H VAL A 73 6.727 8.751 4.189 1.00 0.00 H new ATOM 0 HA VAL A 73 4.544 8.291 2.289 1.00 0.00 H new ATOM 0 HB VAL A 73 4.757 7.753 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.763 6.345 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.449 8.051 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.689 6.862 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.992 5.382 4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.031 5.849 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.333 6.373 4.027 1.00 0.00 H new ATOM 1079 N GLU A 74 3.335 10.408 2.814 1.00 0.00 N ATOM 1080 CA GLU A 74 2.479 11.538 3.145 1.00 0.00 C ATOM 1081 C GLU A 74 1.045 11.194 2.779 1.00 0.00 C ATOM 1082 O GLU A 74 0.813 10.516 1.780 1.00 0.00 O ATOM 1083 CB GLU A 74 2.919 12.820 2.424 1.00 0.00 C ATOM 1084 CG GLU A 74 4.372 13.205 2.690 1.00 0.00 C ATOM 1085 CD GLU A 74 4.714 14.603 2.207 1.00 0.00 C ATOM 1086 OE1 GLU A 74 4.241 15.576 2.825 1.00 0.00 O ATOM 1087 OE2 GLU A 74 5.469 14.737 1.215 1.00 0.00 O ATOM 0 H GLU A 74 3.286 10.111 1.839 1.00 0.00 H new ATOM 0 HA GLU A 74 2.558 11.729 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.777 12.690 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.272 13.641 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.570 13.138 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.028 12.486 2.199 1.00 0.00 H new ATOM 1094 N LYS A 75 0.098 11.664 3.579 1.00 0.00 N ATOM 1095 CA LYS A 75 -1.307 11.308 3.411 1.00 0.00 C ATOM 1096 C LYS A 75 -1.878 11.931 2.136 1.00 0.00 C ATOM 1097 O LYS A 75 -2.554 12.959 2.183 1.00 0.00 O ATOM 1098 CB LYS A 75 -2.104 11.767 4.640 1.00 0.00 C ATOM 1099 CG LYS A 75 -3.494 11.154 4.764 1.00 0.00 C ATOM 1100 CD LYS A 75 -4.167 11.589 6.060 1.00 0.00 C ATOM 1101 CE LYS A 75 -5.494 10.879 6.295 1.00 0.00 C ATOM 1102 NZ LYS A 75 -6.504 11.192 5.248 1.00 0.00 N ATOM 0 H LYS A 75 0.278 12.298 4.357 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.387 10.225 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.534 11.525 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.202 12.852 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.106 11.455 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.420 10.067 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.499 11.389 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.334 12.666 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.326 9.802 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.887 11.165 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.398 10.711 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.662 12.219 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.158 10.865 4.323 1.00 0.00 H new ATOM 1116 N ASN A 76 -1.572 11.312 1.000 1.00 0.00 N ATOM 1117 CA ASN A 76 -2.023 11.796 -0.296 1.00 0.00 C ATOM 1118 C ASN A 76 -3.502 11.530 -0.501 1.00 0.00 C ATOM 1119 O ASN A 76 -3.944 10.386 -0.535 1.00 0.00 O ATOM 1120 CB ASN A 76 -1.218 11.147 -1.424 1.00 0.00 C ATOM 1121 CG ASN A 76 0.089 11.866 -1.691 1.00 0.00 C ATOM 1122 OD1 ASN A 76 0.154 12.762 -2.533 1.00 0.00 O ATOM 1123 ND2 ASN A 76 1.131 11.495 -0.966 1.00 0.00 N ATOM 0 H ASN A 76 -1.007 10.464 0.954 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.862 12.874 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.012 10.108 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.817 11.138 -2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.032 11.956 -1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.034 10.748 -0.279 1.00 0.00 H new ATOM 1130 N PRO A 77 -4.288 12.595 -0.629 1.00 0.00 N ATOM 1131 CA PRO A 77 -5.726 12.493 -0.870 1.00 0.00 C ATOM 1132 C PRO A 77 -6.016 11.894 -2.244 1.00 0.00 C ATOM 1133 O PRO A 77 -5.653 12.466 -3.274 1.00 0.00 O ATOM 1134 CB PRO A 77 -6.205 13.950 -0.794 1.00 0.00 C ATOM 1135 CG PRO A 77 -5.101 14.676 -0.100 1.00 0.00 C ATOM 1136 CD PRO A 77 -3.847 13.988 -0.537 1.00 0.00 C ATOM 0 HA PRO A 77 -6.228 11.841 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.385 14.360 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.141 14.031 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.089 15.731 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.219 14.631 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.485 14.366 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.039 14.115 0.183 1.00 0.00 H new ATOM 1144 N ILE A 78 -6.657 10.736 -2.257 1.00 0.00 N ATOM 1145 CA ILE A 78 -6.926 10.038 -3.502 1.00 0.00 C ATOM 1146 C ILE A 78 -8.133 10.647 -4.196 1.00 0.00 C ATOM 1147 O ILE A 78 -9.274 10.392 -3.802 1.00 0.00 O ATOM 1148 CB ILE A 78 -7.205 8.533 -3.282 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -6.315 7.957 -2.181 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -7.005 7.759 -4.577 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -7.038 7.764 -0.863 1.00 0.00 C ATOM 0 H ILE A 78 -6.999 10.262 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.032 10.142 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.243 8.431 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.915 6.998 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.465 8.621 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.206 6.702 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.688 8.138 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.978 7.882 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.348 7.352 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.415 8.724 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.872 7.076 -1.003 1.00 0.00 H new ATOM 1163 N VAL A 79 -7.871 11.439 -5.235 1.00 0.00 N ATOM 1164 CA VAL A 79 -8.924 12.096 -6.016 1.00 0.00 C ATOM 1165 C VAL A 79 -9.916 12.810 -5.083 1.00 0.00 C ATOM 1166 O VAL A 79 -11.122 12.855 -5.334 1.00 0.00 O ATOM 1167 CB VAL A 79 -9.672 11.077 -6.915 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -10.492 11.786 -7.986 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -8.692 10.107 -7.562 1.00 0.00 C ATOM 0 H VAL A 79 -6.926 11.644 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.451 12.836 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.354 10.513 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.005 11.046 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.227 12.436 -7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.831 12.384 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.238 9.401 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.982 10.662 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.153 9.562 -6.786 1.00 0.00 H new ATOM 1179 N ILE A 80 -9.394 13.373 -4.001 1.00 0.00 N ATOM 1180 CA ILE A 80 -10.230 14.028 -3.009 1.00 0.00 C ATOM 1181 C ILE A 80 -10.431 15.494 -3.358 1.00 0.00 C ATOM 1182 O ILE A 80 -9.514 16.309 -3.244 1.00 0.00 O ATOM 1183 CB ILE A 80 -9.645 13.894 -1.583 1.00 0.00 C ATOM 1184 CG1 ILE A 80 -9.687 12.431 -1.131 1.00 0.00 C ATOM 1185 CG2 ILE A 80 -10.398 14.778 -0.591 1.00 0.00 C ATOM 1186 CD1 ILE A 80 -11.083 11.836 -1.120 1.00 0.00 C ATOM 0 H ILE A 80 -8.396 13.388 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.197 13.525 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.608 14.228 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.054 11.838 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.262 12.357 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.964 14.662 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.321 15.820 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.447 14.484 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.034 10.798 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.715 12.404 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.504 11.877 -2.125 1.00 0.00 H new ATOM 1198 N THR A 81 -11.634 15.810 -3.800 1.00 0.00 N ATOM 1199 CA THR A 81 -11.994 17.169 -4.147 1.00 0.00 C ATOM 1200 C THR A 81 -13.514 17.332 -4.114 1.00 0.00 C ATOM 1201 O THR A 81 -14.042 18.183 -3.397 1.00 0.00 O ATOM 1202 CB THR A 81 -11.419 17.573 -5.533 1.00 0.00 C ATOM 1203 OG1 THR A 81 -11.922 18.851 -5.933 1.00 0.00 O ATOM 1204 CG2 THR A 81 -11.740 16.539 -6.607 1.00 0.00 C ATOM 0 H THR A 81 -12.386 15.133 -3.928 1.00 0.00 H new ATOM 0 HA THR A 81 -11.554 17.839 -3.408 1.00 0.00 H new ATOM 0 HB THR A 81 -10.335 17.625 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.549 19.091 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.319 16.861 -7.560 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.309 15.578 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.821 16.438 -6.703 1.00 0.00 H new ATOM 1212 N GLY A 82 -14.215 16.488 -4.858 1.00 0.00 N ATOM 1213 CA GLY A 82 -15.657 16.534 -4.874 1.00 0.00 C ATOM 1214 C GLY A 82 -16.257 15.239 -5.375 1.00 0.00 C ATOM 1215 O GLY A 82 -15.864 14.731 -6.426 1.00 0.00 O ATOM 0 H GLY A 82 -13.804 15.769 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.025 16.740 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.987 17.356 -5.509 1.00 0.00 H new ATOM 1219 N ALA A 83 -17.179 14.686 -4.609 1.00 0.00 N ATOM 1220 CA ALA A 83 -17.880 13.479 -5.016 1.00 0.00 C ATOM 1221 C ALA A 83 -19.186 13.836 -5.712 1.00 0.00 C ATOM 1222 O ALA A 83 -19.601 14.995 -5.707 1.00 0.00 O ATOM 1223 CB ALA A 83 -18.142 12.589 -3.812 1.00 0.00 C ATOM 0 H ALA A 83 -17.461 15.053 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.253 12.931 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.667 11.689 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.194 12.311 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.753 13.128 -3.088 1.00 0.00 H new ATOM 1229 N ASP A 84 -19.838 12.838 -6.290 1.00 0.00 N ATOM 1230 CA ASP A 84 -21.090 13.052 -7.010 1.00 0.00 C ATOM 1231 C ASP A 84 -22.274 12.896 -6.079 1.00 0.00 C ATOM 1232 O ASP A 84 -23.427 12.876 -6.513 1.00 0.00 O ATOM 1233 CB ASP A 84 -21.232 12.067 -8.168 1.00 0.00 C ATOM 1234 CG ASP A 84 -20.231 12.316 -9.270 1.00 0.00 C ATOM 1235 OD1 ASP A 84 -20.493 13.187 -10.126 1.00 0.00 O ATOM 1236 OD2 ASP A 84 -19.179 11.640 -9.285 1.00 0.00 O ATOM 0 H ASP A 84 -19.522 11.868 -6.276 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.070 14.067 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -21.108 11.051 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -22.240 12.135 -8.576 1.00 0.00 H new ATOM 1241 N ARG A 85 -21.981 12.784 -4.796 1.00 0.00 N ATOM 1242 CA ARG A 85 -23.013 12.608 -3.797 1.00 0.00 C ATOM 1243 C ARG A 85 -23.829 13.885 -3.644 1.00 0.00 C ATOM 1244 O ARG A 85 -25.056 13.823 -3.579 1.00 0.00 O ATOM 1245 CB ARG A 85 -22.391 12.199 -2.459 1.00 0.00 C ATOM 1246 CG ARG A 85 -23.408 11.909 -1.361 1.00 0.00 C ATOM 1247 CD ARG A 85 -24.264 10.686 -1.673 1.00 0.00 C ATOM 1248 NE ARG A 85 -25.181 10.908 -2.796 1.00 0.00 N ATOM 1249 CZ ARG A 85 -25.662 9.933 -3.568 1.00 0.00 C ATOM 1250 NH1 ARG A 85 -25.352 8.666 -3.318 1.00 0.00 N ATOM 1251 NH2 ARG A 85 -26.465 10.223 -4.583 1.00 0.00 N ATOM 0 H ARG A 85 -21.032 12.812 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 85 -23.683 11.813 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -21.776 11.312 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.726 12.994 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -22.886 11.753 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -24.054 12.777 -1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -23.614 9.841 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -24.839 10.415 -0.788 1.00 0.00 H new ATOM 0 HE ARG A 85 -25.468 11.866 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -24.744 8.435 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -25.722 7.924 -3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -26.715 11.193 -4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -26.832 9.476 -5.173 1.00 0.00 H new ATOM 1265 N LEU A 86 -23.136 15.029 -3.629 1.00 0.00 N ATOM 1266 CA LEU A 86 -23.757 16.340 -3.421 1.00 0.00 C ATOM 1267 C LEU A 86 -24.472 16.385 -2.070 1.00 0.00 C ATOM 1268 O LEU A 86 -23.926 16.877 -1.081 1.00 0.00 O ATOM 1269 CB LEU A 86 -24.723 16.673 -4.562 1.00 0.00 C ATOM 1270 CG LEU A 86 -25.378 18.056 -4.490 1.00 0.00 C ATOM 1271 CD1 LEU A 86 -24.327 19.156 -4.546 1.00 0.00 C ATOM 1272 CD2 LEU A 86 -26.385 18.225 -5.615 1.00 0.00 C ATOM 0 H LEU A 86 -22.125 15.071 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.971 17.095 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -24.183 16.595 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -25.509 15.918 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 86 -25.903 18.136 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.816 20.129 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.642 19.048 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.770 19.080 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -26.841 19.213 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.879 18.122 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -27.158 17.462 -5.529 1.00 0.00 H new ATOM 1284 N LYS A 87 -25.681 15.853 -2.036 1.00 0.00 N ATOM 1285 CA LYS A 87 -26.419 15.699 -0.798 1.00 0.00 C ATOM 1286 C LYS A 87 -26.041 14.367 -0.170 1.00 0.00 C ATOM 1287 O LYS A 87 -26.430 13.310 -0.670 1.00 0.00 O ATOM 1288 CB LYS A 87 -27.926 15.730 -1.066 1.00 0.00 C ATOM 1289 CG LYS A 87 -28.786 15.650 0.188 1.00 0.00 C ATOM 1290 CD LYS A 87 -30.198 15.192 -0.151 1.00 0.00 C ATOM 1291 CE LYS A 87 -31.152 15.380 1.016 1.00 0.00 C ATOM 1292 NZ LYS A 87 -31.532 16.804 1.206 1.00 0.00 N ATOM 0 H LYS A 87 -26.176 15.517 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 87 -26.171 16.519 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -28.169 16.648 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -28.184 14.899 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -28.336 14.958 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -28.822 16.626 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -30.564 15.751 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -30.179 14.141 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -32.050 14.785 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -30.687 15.005 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -32.235 16.877 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -30.689 17.358 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -31.938 17.176 0.324 1.00 0.00 H new ATOM 1306 N ARG A 88 -25.253 14.414 0.892 1.00 0.00 N ATOM 1307 CA ARG A 88 -24.856 13.194 1.578 1.00 0.00 C ATOM 1308 C ARG A 88 -26.088 12.549 2.192 1.00 0.00 C ATOM 1309 O ARG A 88 -27.027 13.250 2.574 1.00 0.00 O ATOM 1310 CB ARG A 88 -23.798 13.482 2.647 1.00 0.00 C ATOM 1311 CG ARG A 88 -22.596 14.241 2.112 1.00 0.00 C ATOM 1312 CD ARG A 88 -21.455 14.274 3.114 1.00 0.00 C ATOM 1313 NE ARG A 88 -20.797 12.974 3.235 1.00 0.00 N ATOM 1314 CZ ARG A 88 -19.870 12.686 4.147 1.00 0.00 C ATOM 1315 NH1 ARG A 88 -19.533 13.580 5.069 1.00 0.00 N ATOM 1316 NH2 ARG A 88 -19.291 11.491 4.141 1.00 0.00 N ATOM 0 H ARG A 88 -24.879 15.273 1.295 1.00 0.00 H new ATOM 0 HA ARG A 88 -24.409 12.507 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -24.253 14.057 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -23.461 12.539 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -22.254 13.775 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -22.891 15.261 1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -20.725 15.023 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -21.836 14.580 4.088 1.00 0.00 H new ATOM 0 HE ARG A 88 -21.065 12.241 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.985 14.494 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.822 13.352 5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.557 10.799 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.580 11.265 4.837 1.00 0.00 H new ATOM 1330 N MET A 89 -26.091 11.225 2.274 1.00 0.00 N ATOM 1331 CA MET A 89 -27.275 10.486 2.690 1.00 0.00 C ATOM 1332 C MET A 89 -27.734 10.924 4.073 1.00 0.00 C ATOM 1333 O MET A 89 -27.071 10.651 5.076 1.00 0.00 O ATOM 1334 CB MET A 89 -27.005 8.981 2.677 1.00 0.00 C ATOM 1335 CG MET A 89 -28.247 8.146 2.943 1.00 0.00 C ATOM 1336 SD MET A 89 -29.542 8.415 1.711 1.00 0.00 S ATOM 1337 CE MET A 89 -28.735 7.795 0.236 1.00 0.00 C ATOM 0 H MET A 89 -25.284 10.640 2.057 1.00 0.00 H new ATOM 0 HA MET A 89 -28.071 10.705 1.978 1.00 0.00 H new ATOM 0 HB2 MET A 89 -26.588 8.702 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 89 -26.251 8.748 3.428 1.00 0.00 H new ATOM 0 HG2 MET A 89 -27.975 7.091 2.954 1.00 0.00 H new ATOM 0 HG3 MET A 89 -28.636 8.386 3.932 1.00 0.00 H new ATOM 0 HE1 MET A 89 -29.481 7.608 -0.536 1.00 0.00 H new ATOM 0 HE2 MET A 89 -28.018 8.533 -0.124 1.00 0.00 H new ATOM 0 HE3 MET A 89 -28.214 6.866 0.469 1.00 0.00 H new ATOM 1347 N GLU A 90 -28.863 11.635 4.098 1.00 0.00 N ATOM 1348 CA GLU A 90 -29.463 12.143 5.331 1.00 0.00 C ATOM 1349 C GLU A 90 -28.557 13.170 6.010 1.00 0.00 C ATOM 1350 O GLU A 90 -28.722 13.476 7.191 1.00 0.00 O ATOM 1351 CB GLU A 90 -29.782 10.999 6.297 1.00 0.00 C ATOM 1352 CG GLU A 90 -30.721 9.956 5.716 1.00 0.00 C ATOM 1353 CD GLU A 90 -31.252 9.014 6.770 1.00 0.00 C ATOM 1354 OE1 GLU A 90 -32.268 9.355 7.409 1.00 0.00 O ATOM 1355 OE2 GLU A 90 -30.650 7.936 6.973 1.00 0.00 O ATOM 0 H GLU A 90 -29.389 11.875 3.258 1.00 0.00 H new ATOM 0 HA GLU A 90 -30.395 12.639 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -28.852 10.514 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -30.227 11.412 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -31.556 10.455 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -30.196 9.384 4.951 1.00 0.00 H new ATOM 1362 N LYS A 91 -27.614 13.716 5.259 1.00 0.00 N ATOM 1363 CA LYS A 91 -26.677 14.680 5.808 1.00 0.00 C ATOM 1364 C LYS A 91 -26.794 16.030 5.121 1.00 0.00 C ATOM 1365 O LYS A 91 -26.025 16.362 4.215 1.00 0.00 O ATOM 1366 CB LYS A 91 -25.247 14.156 5.729 1.00 0.00 C ATOM 1367 CG LYS A 91 -24.938 13.125 6.793 1.00 0.00 C ATOM 1368 CD LYS A 91 -23.557 12.525 6.612 1.00 0.00 C ATOM 1369 CE LYS A 91 -23.036 11.927 7.910 1.00 0.00 C ATOM 1370 NZ LYS A 91 -24.042 11.064 8.589 1.00 0.00 N ATOM 0 H LYS A 91 -27.478 13.508 4.270 1.00 0.00 H new ATOM 0 HA LYS A 91 -26.933 14.821 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -25.080 13.717 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -24.553 14.991 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -25.007 13.587 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -25.686 12.333 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.592 11.754 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.868 13.294 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -22.141 11.340 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -22.740 12.732 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -23.580 10.525 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -24.793 11.659 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.456 10.405 7.899 1.00 0.00 H new ATOM 1384 N ASN A 92 -27.800 16.777 5.529 1.00 0.00 N ATOM 1385 CA ASN A 92 -27.945 18.158 5.121 1.00 0.00 C ATOM 1386 C ASN A 92 -28.152 19.027 6.355 1.00 0.00 C ATOM 1387 O ASN A 92 -29.249 19.104 6.909 1.00 0.00 O ATOM 1388 CB ASN A 92 -29.094 18.322 4.108 1.00 0.00 C ATOM 1389 CG ASN A 92 -30.370 17.598 4.509 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -30.563 16.425 4.182 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -31.255 18.295 5.201 1.00 0.00 N ATOM 0 H ASN A 92 -28.537 16.444 6.151 1.00 0.00 H new ATOM 0 HA ASN A 92 -27.035 18.481 4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -29.311 19.383 3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -28.766 17.951 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -32.135 17.864 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -31.058 19.264 5.452 1.00 0.00 H new ATOM 1398 N GLY A 93 -27.082 19.660 6.802 1.00 0.00 N ATOM 1399 CA GLY A 93 -27.151 20.466 8.001 1.00 0.00 C ATOM 1400 C GLY A 93 -27.502 21.901 7.698 1.00 0.00 C ATOM 1401 O GLY A 93 -28.535 22.407 8.137 1.00 0.00 O ATOM 0 H GLY A 93 -26.165 19.631 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -27.895 20.046 8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -26.192 20.429 8.518 1.00 0.00 H new ATOM 1405 N MET A 94 -26.646 22.553 6.927 1.00 0.00 N ATOM 1406 CA MET A 94 -26.862 23.938 6.551 1.00 0.00 C ATOM 1407 C MET A 94 -27.289 24.009 5.096 1.00 0.00 C ATOM 1408 O MET A 94 -26.709 24.742 4.295 1.00 0.00 O ATOM 1409 CB MET A 94 -25.581 24.745 6.767 1.00 0.00 C ATOM 1410 CG MET A 94 -24.992 24.569 8.155 1.00 0.00 C ATOM 1411 SD MET A 94 -23.475 25.508 8.398 1.00 0.00 S ATOM 1412 CE MET A 94 -22.994 24.914 10.017 1.00 0.00 C ATOM 0 H MET A 94 -25.792 22.142 6.549 1.00 0.00 H new ATOM 0 HA MET A 94 -27.649 24.362 7.174 1.00 0.00 H new ATOM 0 HB2 MET A 94 -24.841 24.446 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 94 -25.792 25.801 6.600 1.00 0.00 H new ATOM 0 HG2 MET A 94 -25.727 24.878 8.898 1.00 0.00 H new ATOM 0 HG3 MET A 94 -24.790 23.512 8.327 1.00 0.00 H new ATOM 0 HE1 MET A 94 -22.066 25.398 10.321 1.00 0.00 H new ATOM 0 HE2 MET A 94 -23.778 25.147 10.738 1.00 0.00 H new ATOM 0 HE3 MET A 94 -22.845 23.835 9.979 1.00 0.00 H new ATOM 1422 N ARG A 95 -28.318 23.247 4.767 1.00 0.00 N ATOM 1423 CA ARG A 95 -28.868 23.244 3.425 1.00 0.00 C ATOM 1424 C ARG A 95 -30.314 22.802 3.474 1.00 0.00 C ATOM 1425 O ARG A 95 -30.737 22.134 4.419 1.00 0.00 O ATOM 1426 CB ARG A 95 -28.087 22.305 2.499 1.00 0.00 C ATOM 1427 CG ARG A 95 -28.197 22.676 1.025 1.00 0.00 C ATOM 1428 CD ARG A 95 -27.689 24.087 0.777 1.00 0.00 C ATOM 1429 NE ARG A 95 -27.933 24.538 -0.592 1.00 0.00 N ATOM 1430 CZ ARG A 95 -27.962 25.819 -0.957 1.00 0.00 C ATOM 1431 NH1 ARG A 95 -27.803 26.777 -0.049 1.00 0.00 N ATOM 1432 NH2 ARG A 95 -28.163 26.139 -2.230 1.00 0.00 N ATOM 0 H ARG A 95 -28.791 22.619 5.417 1.00 0.00 H new ATOM 0 HA ARG A 95 -28.793 24.257 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -27.037 22.312 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -28.450 21.286 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -27.624 21.969 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -29.236 22.598 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -28.173 24.772 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -26.619 24.126 0.984 1.00 0.00 H new ATOM 0 HE ARG A 95 -28.090 23.831 -1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -27.658 26.532 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -27.826 27.757 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -28.295 25.405 -2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -28.186 27.119 -2.512 1.00 0.00 H new ATOM 1446 N TYR A 96 -31.058 23.174 2.459 1.00 0.00 N ATOM 1447 CA TYR A 96 -32.448 22.798 2.350 1.00 0.00 C ATOM 1448 C TYR A 96 -32.805 22.652 0.885 1.00 0.00 C ATOM 1449 O TYR A 96 -32.037 23.070 0.019 1.00 0.00 O ATOM 1450 CB TYR A 96 -33.344 23.846 3.024 1.00 0.00 C ATOM 1451 CG TYR A 96 -33.215 25.239 2.444 1.00 0.00 C ATOM 1452 CD1 TYR A 96 -32.213 26.103 2.872 1.00 0.00 C ATOM 1453 CD2 TYR A 96 -34.094 25.689 1.464 1.00 0.00 C ATOM 1454 CE1 TYR A 96 -32.090 27.371 2.343 1.00 0.00 C ATOM 1455 CE2 TYR A 96 -33.977 26.957 0.931 1.00 0.00 C ATOM 1456 CZ TYR A 96 -32.974 27.793 1.374 1.00 0.00 C ATOM 1457 OH TYR A 96 -32.859 29.057 0.848 1.00 0.00 O ATOM 0 H TYR A 96 -30.717 23.745 1.686 1.00 0.00 H new ATOM 0 HA TYR A 96 -32.609 21.847 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -34.383 23.526 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -33.104 23.883 4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -31.519 25.776 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -34.880 25.036 1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -31.305 28.029 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -34.667 27.292 0.171 1.00 0.00 H new ATOM 0 HH TYR A 96 -33.558 29.197 0.176 1.00 0.00 H new ATOM 1467 N ALA A 97 -33.946 22.049 0.617 1.00 0.00 N ATOM 1468 CA ALA A 97 -34.431 21.904 -0.744 1.00 0.00 C ATOM 1469 C ALA A 97 -34.942 23.246 -1.261 1.00 0.00 C ATOM 1470 O ALA A 97 -35.991 23.730 -0.829 1.00 0.00 O ATOM 1471 CB ALA A 97 -35.522 20.844 -0.810 1.00 0.00 C ATOM 0 H ALA A 97 -34.559 21.649 1.327 1.00 0.00 H new ATOM 0 HA ALA A 97 -33.608 21.579 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -35.874 20.748 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -35.121 19.888 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -36.352 21.136 -0.167 1.00 0.00 H new ATOM 1477 N PRO A 98 -34.207 23.867 -2.195 1.00 0.00 N ATOM 1478 CA PRO A 98 -34.516 25.207 -2.684 1.00 0.00 C ATOM 1479 C PRO A 98 -35.545 25.189 -3.809 1.00 0.00 C ATOM 1480 O PRO A 98 -35.682 26.153 -4.565 1.00 0.00 O ATOM 1481 CB PRO A 98 -33.159 25.687 -3.186 1.00 0.00 C ATOM 1482 CG PRO A 98 -32.496 24.455 -3.700 1.00 0.00 C ATOM 1483 CD PRO A 98 -33.013 23.307 -2.862 1.00 0.00 C ATOM 0 HA PRO A 98 -34.960 25.847 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -33.268 26.436 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -32.579 26.146 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -32.728 24.301 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -31.412 24.536 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -33.267 22.444 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -32.270 22.974 -2.138 1.00 0.00 H new ATOM 1491 N GLY A 99 -36.256 24.081 -3.915 1.00 0.00 N ATOM 1492 CA GLY A 99 -37.314 23.954 -4.888 1.00 0.00 C ATOM 1493 C GLY A 99 -38.410 23.054 -4.371 1.00 0.00 C ATOM 1494 O GLY A 99 -38.902 22.183 -5.088 1.00 0.00 O ATOM 0 H GLY A 99 -36.115 23.255 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -37.723 24.938 -5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -36.913 23.550 -5.818 1.00 0.00 H new ATOM 1498 N GLU A 100 -38.776 23.257 -3.117 1.00 0.00 N ATOM 1499 CA GLU A 100 -39.783 22.438 -2.471 1.00 0.00 C ATOM 1500 C GLU A 100 -40.926 23.319 -1.977 1.00 0.00 C ATOM 1501 O GLU A 100 -40.842 23.826 -0.839 1.00 0.00 O ATOM 1502 CB GLU A 100 -39.161 21.657 -1.304 1.00 0.00 C ATOM 1503 CG GLU A 100 -40.071 20.587 -0.716 1.00 0.00 C ATOM 1504 CD GLU A 100 -40.404 19.490 -1.707 1.00 0.00 C ATOM 1505 OE1 GLU A 100 -41.332 19.679 -2.520 1.00 0.00 O ATOM 1506 OE2 GLU A 100 -39.739 18.430 -1.678 1.00 0.00 O ATOM 1507 OXT GLU A 100 -41.889 23.529 -2.744 1.00 0.00 O ATOM 0 H GLU A 100 -38.386 23.989 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 100 -40.178 21.722 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -38.239 21.187 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -38.887 22.359 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -39.590 20.147 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -40.995 21.052 -0.371 1.00 0.00 H new TER 1514 GLU A 100