USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0478 (180deg=-0.322) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -4.63 K(o=-4.6,f=-10!) USER MOD Single : A 25 GLN : amide:sc= -0.0434 X(o=-0.043,f=-0.53) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.0689 USER MOD Single : A 30 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.0081) USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -124:sc= -0.017 (180deg=-1.03) USER MOD Single : A 41 MET CE :methyl -165:sc= -1.77 (180deg=-2.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 0.211 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.957 K(o=-0.96,f=-2.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= 0.00241 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0438 X(o=-0.044,f=-0.29) USER MOD Single : A 67 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.038) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.0574 X(o=0.057,f=-0.096) USER MOD Single : A 77 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.6) USER MOD Single : A 78 SER OG : rot -82:sc= 1.09 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0.00291 (180deg=-0.039) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.610 -6.442 -5.097 1.00 0.00 N ATOM 2 CA GLY A 1 15.888 -6.317 -3.844 1.00 0.00 C ATOM 3 C GLY A 1 15.537 -7.664 -3.241 1.00 0.00 C ATOM 4 O GLY A 1 16.368 -8.292 -2.586 1.00 0.00 O ATOM 0 H1 GLY A 1 16.827 -5.495 -5.469 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.496 -6.962 -4.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.025 -6.958 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.492 -5.751 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.974 -5.747 -4.010 1.00 0.00 H new ATOM 8 N SER A 2 14.303 -8.104 -3.460 1.00 0.00 N ATOM 9 CA SER A 2 13.842 -9.382 -2.928 1.00 0.00 C ATOM 10 C SER A 2 13.081 -10.169 -3.990 1.00 0.00 C ATOM 11 O SER A 2 12.305 -9.603 -4.761 1.00 0.00 O ATOM 12 CB SER A 2 12.951 -9.157 -1.706 1.00 0.00 C ATOM 13 OG SER A 2 13.625 -8.399 -0.716 1.00 0.00 O ATOM 0 H SER A 2 13.604 -7.596 -4.002 1.00 0.00 H new ATOM 0 HA SER A 2 14.716 -9.961 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.040 -8.640 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.649 -10.118 -1.290 1.00 0.00 H new ATOM 0 HG SER A 2 13.034 -8.268 0.054 1.00 0.00 H new ATOM 19 N SER A 3 13.307 -11.479 -4.023 1.00 0.00 N ATOM 20 CA SER A 3 12.646 -12.345 -4.992 1.00 0.00 C ATOM 21 C SER A 3 11.550 -13.170 -4.324 1.00 0.00 C ATOM 22 O SER A 3 11.758 -14.332 -3.976 1.00 0.00 O ATOM 23 CB SER A 3 13.664 -13.272 -5.659 1.00 0.00 C ATOM 24 OG SER A 3 14.362 -12.602 -6.694 1.00 0.00 O ATOM 0 H SER A 3 13.943 -11.963 -3.390 1.00 0.00 H new ATOM 0 HA SER A 3 12.188 -11.713 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.372 -13.635 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.154 -14.145 -6.066 1.00 0.00 H new ATOM 0 HG SER A 3 15.008 -13.215 -7.103 1.00 0.00 H new ATOM 30 N GLY A 4 10.382 -12.560 -4.147 1.00 0.00 N ATOM 31 CA GLY A 4 9.271 -13.253 -3.521 1.00 0.00 C ATOM 32 C GLY A 4 8.063 -13.353 -4.432 1.00 0.00 C ATOM 33 O GLY A 4 7.363 -12.366 -4.657 1.00 0.00 O ATOM 0 H GLY A 4 10.185 -11.599 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.588 -14.255 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.990 -12.731 -2.606 1.00 0.00 H new ATOM 37 N SER A 5 7.819 -14.548 -4.960 1.00 0.00 N ATOM 38 CA SER A 5 6.691 -14.773 -5.856 1.00 0.00 C ATOM 39 C SER A 5 5.712 -15.779 -5.256 1.00 0.00 C ATOM 40 O SER A 5 5.934 -16.987 -5.313 1.00 0.00 O ATOM 41 CB SER A 5 7.184 -15.274 -7.215 1.00 0.00 C ATOM 42 OG SER A 5 8.017 -14.312 -7.840 1.00 0.00 O ATOM 0 H SER A 5 8.388 -15.376 -4.783 1.00 0.00 H new ATOM 0 HA SER A 5 6.173 -13.824 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.733 -16.206 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.331 -15.493 -7.857 1.00 0.00 H new ATOM 0 HG SER A 5 8.321 -14.656 -8.706 1.00 0.00 H new ATOM 48 N SER A 6 4.628 -15.267 -4.679 1.00 0.00 N ATOM 49 CA SER A 6 3.616 -16.119 -4.065 1.00 0.00 C ATOM 50 C SER A 6 2.340 -15.331 -3.786 1.00 0.00 C ATOM 51 O SER A 6 2.384 -14.233 -3.232 1.00 0.00 O ATOM 52 CB SER A 6 4.150 -16.724 -2.765 1.00 0.00 C ATOM 53 OG SER A 6 3.297 -17.754 -2.295 1.00 0.00 O ATOM 0 H SER A 6 4.429 -14.268 -4.624 1.00 0.00 H new ATOM 0 HA SER A 6 3.381 -16.923 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.151 -17.123 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.238 -15.946 -2.007 1.00 0.00 H new ATOM 0 HG SER A 6 3.660 -18.126 -1.464 1.00 0.00 H new ATOM 59 N GLY A 7 1.204 -15.900 -4.176 1.00 0.00 N ATOM 60 CA GLY A 7 -0.070 -15.238 -3.959 1.00 0.00 C ATOM 61 C GLY A 7 -0.290 -14.079 -4.912 1.00 0.00 C ATOM 62 O GLY A 7 0.477 -13.866 -5.851 1.00 0.00 O ATOM 0 H GLY A 7 1.142 -16.807 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.877 -15.961 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.117 -14.875 -2.932 1.00 0.00 H new ATOM 66 N PRO A 8 -1.361 -13.308 -4.673 1.00 0.00 N ATOM 67 CA PRO A 8 -1.705 -12.152 -5.508 1.00 0.00 C ATOM 68 C PRO A 8 -0.717 -11.002 -5.341 1.00 0.00 C ATOM 69 O PRO A 8 -0.128 -10.826 -4.274 1.00 0.00 O ATOM 70 CB PRO A 8 -3.089 -11.746 -4.996 1.00 0.00 C ATOM 71 CG PRO A 8 -3.136 -12.242 -3.593 1.00 0.00 C ATOM 72 CD PRO A 8 -2.317 -13.504 -3.572 1.00 0.00 C ATOM 0 HA PRO A 8 -1.682 -12.394 -6.570 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.225 -10.665 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.880 -12.191 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.730 -11.502 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.162 -12.438 -3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.808 -13.637 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.936 -14.387 -3.730 1.00 0.00 H new ATOM 80 N LYS A 9 -0.541 -10.221 -6.401 1.00 0.00 N ATOM 81 CA LYS A 9 0.374 -9.087 -6.373 1.00 0.00 C ATOM 82 C LYS A 9 -0.241 -7.911 -5.620 1.00 0.00 C ATOM 83 O LYS A 9 -0.993 -7.122 -6.192 1.00 0.00 O ATOM 84 CB LYS A 9 0.737 -8.662 -7.798 1.00 0.00 C ATOM 85 CG LYS A 9 2.038 -7.884 -7.887 1.00 0.00 C ATOM 86 CD LYS A 9 2.662 -8.000 -9.268 1.00 0.00 C ATOM 87 CE LYS A 9 1.961 -7.100 -10.275 1.00 0.00 C ATOM 88 NZ LYS A 9 2.196 -5.659 -9.989 1.00 0.00 N ATOM 0 H LYS A 9 -1.021 -10.353 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 9 1.280 -9.396 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.811 -9.550 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.070 -8.052 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.852 -6.835 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.737 -8.255 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.718 -7.735 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.610 -9.035 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.316 -7.333 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.890 -7.303 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.991 -5.098 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.573 -5.353 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.188 -5.517 -9.711 1.00 0.00 H new ATOM 102 N ALA A 10 0.086 -7.799 -4.337 1.00 0.00 N ATOM 103 CA ALA A 10 -0.432 -6.717 -3.509 1.00 0.00 C ATOM 104 C ALA A 10 -0.290 -5.371 -4.213 1.00 0.00 C ATOM 105 O ALA A 10 0.801 -4.813 -4.323 1.00 0.00 O ATOM 106 CB ALA A 10 0.283 -6.691 -2.167 1.00 0.00 C ATOM 0 H ALA A 10 0.707 -8.444 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.493 -6.898 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.114 -5.878 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.126 -7.639 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.350 -6.537 -2.326 1.00 0.00 H new ATOM 112 N PRO A 11 -1.419 -4.836 -4.701 1.00 0.00 N ATOM 113 CA PRO A 11 -1.447 -3.550 -5.403 1.00 0.00 C ATOM 114 C PRO A 11 -1.178 -2.374 -4.469 1.00 0.00 C ATOM 115 O PRO A 11 -1.076 -2.545 -3.253 1.00 0.00 O ATOM 116 CB PRO A 11 -2.872 -3.478 -5.957 1.00 0.00 C ATOM 117 CG PRO A 11 -3.676 -4.342 -5.049 1.00 0.00 C ATOM 118 CD PRO A 11 -2.756 -5.447 -4.607 1.00 0.00 C ATOM 0 HA PRO A 11 -0.674 -3.487 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.244 -2.453 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.915 -3.836 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.043 -3.774 -4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.549 -4.743 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.978 -5.773 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.843 -6.324 -5.249 1.00 0.00 H new ATOM 126 N VAL A 12 -1.067 -1.181 -5.043 1.00 0.00 N ATOM 127 CA VAL A 12 -0.813 0.023 -4.262 1.00 0.00 C ATOM 128 C VAL A 12 -2.068 0.881 -4.149 1.00 0.00 C ATOM 129 O VAL A 12 -2.993 0.755 -4.952 1.00 0.00 O ATOM 130 CB VAL A 12 0.318 0.866 -4.880 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.644 0.124 -4.797 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.012 1.223 -6.322 1.00 0.00 C ATOM 0 H VAL A 12 -1.149 -1.022 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.510 -0.304 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 12 0.410 1.791 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.431 0.735 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.884 -0.077 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.568 -0.818 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.798 1.819 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.132 0.310 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.938 1.797 -6.352 1.00 0.00 H new ATOM 142 N THR A 13 -2.094 1.755 -3.148 1.00 0.00 N ATOM 143 CA THR A 13 -3.235 2.635 -2.930 1.00 0.00 C ATOM 144 C THR A 13 -3.136 3.888 -3.792 1.00 0.00 C ATOM 145 O THR A 13 -2.042 4.364 -4.088 1.00 0.00 O ATOM 146 CB THR A 13 -3.350 3.049 -1.451 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.312 3.978 -1.120 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.261 1.835 -0.540 1.00 0.00 C ATOM 0 H THR A 13 -1.337 1.872 -2.475 1.00 0.00 H new ATOM 0 HA THR A 13 -4.126 2.074 -3.212 1.00 0.00 H new ATOM 0 HB THR A 13 -4.321 3.522 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.393 4.238 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.345 2.153 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.071 1.144 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.304 1.336 -0.691 1.00 0.00 H new ATOM 156 N GLY A 14 -4.288 4.419 -4.190 1.00 0.00 N ATOM 157 CA GLY A 14 -4.309 5.615 -5.013 1.00 0.00 C ATOM 158 C GLY A 14 -3.200 6.584 -4.654 1.00 0.00 C ATOM 159 O GLY A 14 -2.579 7.181 -5.534 1.00 0.00 O ATOM 0 H GLY A 14 -5.207 4.043 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.216 5.333 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.272 6.112 -4.902 1.00 0.00 H new ATOM 163 N TYR A 15 -2.952 6.744 -3.359 1.00 0.00 N ATOM 164 CA TYR A 15 -1.914 7.652 -2.886 1.00 0.00 C ATOM 165 C TYR A 15 -0.543 7.232 -3.408 1.00 0.00 C ATOM 166 O TYR A 15 0.139 8.001 -4.085 1.00 0.00 O ATOM 167 CB TYR A 15 -1.899 7.691 -1.357 1.00 0.00 C ATOM 168 CG TYR A 15 -0.743 8.479 -0.783 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.468 9.768 -1.221 1.00 0.00 C ATOM 170 CD2 TYR A 15 0.074 7.933 0.200 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.588 10.490 -0.700 1.00 0.00 C ATOM 172 CE2 TYR A 15 1.131 8.648 0.728 1.00 0.00 C ATOM 173 CZ TYR A 15 1.384 9.926 0.275 1.00 0.00 C ATOM 174 OH TYR A 15 2.436 10.643 0.798 1.00 0.00 O ATOM 0 H TYR A 15 -3.456 6.257 -2.618 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.138 8.649 -3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.835 8.125 -1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.857 6.671 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.091 10.214 -1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.121 6.933 0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.789 11.490 -1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.756 8.209 1.491 1.00 0.00 H new ATOM 0 HH TYR A 15 2.896 10.103 1.475 1.00 0.00 H new ATOM 184 N VAL A 16 -0.147 6.003 -3.090 1.00 0.00 N ATOM 185 CA VAL A 16 1.140 5.478 -3.527 1.00 0.00 C ATOM 186 C VAL A 16 1.208 5.383 -5.047 1.00 0.00 C ATOM 187 O VAL A 16 2.140 5.890 -5.672 1.00 0.00 O ATOM 188 CB VAL A 16 1.414 4.088 -2.924 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.701 3.504 -3.487 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.474 4.168 -1.406 1.00 0.00 C ATOM 0 H VAL A 16 -0.700 5.353 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 16 1.901 6.175 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 16 0.593 3.425 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.877 2.522 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.614 3.408 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.535 4.163 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.668 3.177 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.274 4.846 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.523 4.538 -1.023 1.00 0.00 H new ATOM 200 N ARG A 17 0.213 4.728 -5.638 1.00 0.00 N ATOM 201 CA ARG A 17 0.158 4.565 -7.086 1.00 0.00 C ATOM 202 C ARG A 17 0.667 5.818 -7.793 1.00 0.00 C ATOM 203 O ARG A 17 1.631 5.764 -8.558 1.00 0.00 O ATOM 204 CB ARG A 17 -1.272 4.260 -7.533 1.00 0.00 C ATOM 205 CG ARG A 17 -1.349 3.431 -8.805 1.00 0.00 C ATOM 206 CD ARG A 17 -2.781 3.297 -9.297 1.00 0.00 C ATOM 207 NE ARG A 17 -2.856 2.604 -10.581 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.868 1.281 -10.702 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.811 0.513 -9.623 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.939 0.725 -11.904 1.00 0.00 N ATOM 0 H ARG A 17 -0.566 4.302 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 17 0.802 3.728 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.789 3.731 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.803 5.199 -7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.739 3.895 -9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.932 2.441 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.369 2.754 -8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.226 4.288 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.902 3.166 -11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.758 0.938 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.820 -0.502 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.984 1.313 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.948 -0.291 -11.996 1.00 0.00 H new ATOM 224 N PHE A 18 0.012 6.945 -7.533 1.00 0.00 N ATOM 225 CA PHE A 18 0.397 8.210 -8.146 1.00 0.00 C ATOM 226 C PHE A 18 1.853 8.547 -7.833 1.00 0.00 C ATOM 227 O PHE A 18 2.583 9.047 -8.690 1.00 0.00 O ATOM 228 CB PHE A 18 -0.515 9.337 -7.654 1.00 0.00 C ATOM 229 CG PHE A 18 0.131 10.693 -7.697 1.00 0.00 C ATOM 230 CD1 PHE A 18 0.968 11.109 -6.675 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.099 11.552 -8.760 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.564 12.355 -6.711 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.493 12.799 -8.802 1.00 0.00 C ATOM 234 CZ PHE A 18 1.326 13.202 -7.775 1.00 0.00 C ATOM 0 H PHE A 18 -0.787 7.007 -6.902 1.00 0.00 H new ATOM 0 HA PHE A 18 0.290 8.109 -9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.419 9.354 -8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.824 9.123 -6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.157 10.451 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.749 11.243 -9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.215 12.666 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.305 13.459 -9.636 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.789 14.177 -7.805 1.00 0.00 H new ATOM 244 N LEU A 19 2.267 8.268 -6.603 1.00 0.00 N ATOM 245 CA LEU A 19 3.634 8.540 -6.175 1.00 0.00 C ATOM 246 C LEU A 19 4.633 7.726 -6.992 1.00 0.00 C ATOM 247 O LEU A 19 5.758 8.161 -7.229 1.00 0.00 O ATOM 248 CB LEU A 19 3.797 8.225 -4.687 1.00 0.00 C ATOM 249 CG LEU A 19 3.008 9.112 -3.723 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.817 8.410 -2.387 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.712 10.447 -3.530 1.00 0.00 C ATOM 0 H LEU A 19 1.675 7.853 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 19 3.836 9.599 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.501 7.189 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.855 8.299 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 19 2.025 9.301 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.254 9.056 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.270 7.480 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.791 8.190 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.137 11.065 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.708 10.277 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.797 10.956 -4.490 1.00 0.00 H new ATOM 263 N ASN A 20 4.210 6.540 -7.420 1.00 0.00 N ATOM 264 CA ASN A 20 5.067 5.664 -8.212 1.00 0.00 C ATOM 265 C ASN A 20 5.322 6.259 -9.594 1.00 0.00 C ATOM 266 O ASN A 20 6.465 6.524 -9.963 1.00 0.00 O ATOM 267 CB ASN A 20 4.428 4.281 -8.349 1.00 0.00 C ATOM 268 CG ASN A 20 3.838 3.784 -7.044 1.00 0.00 C ATOM 269 OD1 ASN A 20 4.162 4.292 -5.970 1.00 0.00 O ATOM 270 ND2 ASN A 20 2.966 2.787 -7.131 1.00 0.00 N ATOM 0 H ASN A 20 3.281 6.164 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 20 6.022 5.566 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.646 4.319 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.177 3.571 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.535 2.411 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.727 2.397 -8.043 1.00 0.00 H new ATOM 277 N GLU A 21 4.249 6.464 -10.351 1.00 0.00 N ATOM 278 CA GLU A 21 4.358 7.026 -11.692 1.00 0.00 C ATOM 279 C GLU A 21 5.171 8.318 -11.676 1.00 0.00 C ATOM 280 O GLU A 21 6.030 8.534 -12.531 1.00 0.00 O ATOM 281 CB GLU A 21 2.968 7.292 -12.273 1.00 0.00 C ATOM 282 CG GLU A 21 2.956 7.433 -13.786 1.00 0.00 C ATOM 283 CD GLU A 21 1.623 7.049 -14.397 1.00 0.00 C ATOM 284 OE1 GLU A 21 1.418 5.847 -14.667 1.00 0.00 O ATOM 285 OE2 GLU A 21 0.784 7.950 -14.604 1.00 0.00 O ATOM 0 H GLU A 21 3.295 6.250 -10.059 1.00 0.00 H new ATOM 0 HA GLU A 21 4.873 6.300 -12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.302 6.477 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.566 8.203 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.190 8.463 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.740 6.807 -14.212 1.00 0.00 H new ATOM 292 N ARG A 22 4.892 9.173 -10.699 1.00 0.00 N ATOM 293 CA ARG A 22 5.594 10.445 -10.573 1.00 0.00 C ATOM 294 C ARG A 22 7.054 10.223 -10.187 1.00 0.00 C ATOM 295 O ARG A 22 7.957 10.827 -10.765 1.00 0.00 O ATOM 296 CB ARG A 22 4.909 11.328 -9.528 1.00 0.00 C ATOM 297 CG ARG A 22 3.482 11.706 -9.891 1.00 0.00 C ATOM 298 CD ARG A 22 3.445 12.870 -10.868 1.00 0.00 C ATOM 299 NE ARG A 22 2.268 12.823 -11.733 1.00 0.00 N ATOM 300 CZ ARG A 22 1.917 13.809 -12.550 1.00 0.00 C ATOM 301 NH1 ARG A 22 2.649 14.913 -12.616 1.00 0.00 N ATOM 302 NH2 ARG A 22 0.833 13.691 -13.306 1.00 0.00 N ATOM 0 H ARG A 22 4.185 9.009 -9.983 1.00 0.00 H new ATOM 0 HA ARG A 22 5.563 10.947 -11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.906 10.807 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.494 12.238 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.977 10.845 -10.330 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.934 11.971 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.450 13.809 -10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.346 12.857 -11.481 1.00 0.00 H new ATOM 0 HE ARG A 22 1.684 11.987 -11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.484 15.006 -12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.377 15.669 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.269 12.842 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.564 14.449 -13.933 1.00 0.00 H new ATOM 316 N ARG A 23 7.277 9.353 -9.207 1.00 0.00 N ATOM 317 CA ARG A 23 8.626 9.053 -8.744 1.00 0.00 C ATOM 318 C ARG A 23 9.607 9.026 -9.912 1.00 0.00 C ATOM 319 O ARG A 23 10.763 9.428 -9.773 1.00 0.00 O ATOM 320 CB ARG A 23 8.649 7.710 -8.012 1.00 0.00 C ATOM 321 CG ARG A 23 10.052 7.203 -7.717 1.00 0.00 C ATOM 322 CD ARG A 23 10.598 6.372 -8.868 1.00 0.00 C ATOM 323 NE ARG A 23 10.242 4.961 -8.741 1.00 0.00 N ATOM 324 CZ ARG A 23 10.664 4.020 -9.578 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.449 4.338 -10.598 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.298 2.758 -9.397 1.00 0.00 N ATOM 0 H ARG A 23 6.540 8.844 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 23 8.931 9.840 -8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.102 7.807 -7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.122 6.969 -8.613 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.714 8.049 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.039 6.603 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.212 6.760 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.683 6.470 -8.904 1.00 0.00 H new ATOM 0 HE ARG A 23 9.637 4.684 -7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.731 5.308 -10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.771 3.613 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.692 2.510 -8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.622 2.036 -10.040 1.00 0.00 H new ATOM 340 N GLU A 24 9.140 8.548 -11.060 1.00 0.00 N ATOM 341 CA GLU A 24 9.979 8.467 -12.251 1.00 0.00 C ATOM 342 C GLU A 24 10.274 9.858 -12.803 1.00 0.00 C ATOM 343 O GLU A 24 11.422 10.190 -13.095 1.00 0.00 O ATOM 344 CB GLU A 24 9.298 7.613 -13.323 1.00 0.00 C ATOM 345 CG GLU A 24 10.001 7.656 -14.670 1.00 0.00 C ATOM 346 CD GLU A 24 9.467 6.619 -15.639 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.229 6.508 -15.768 1.00 0.00 O ATOM 348 OE2 GLU A 24 10.287 5.919 -16.269 1.00 0.00 O ATOM 0 H GLU A 24 8.186 8.211 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 24 10.923 8.000 -11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.253 6.580 -12.979 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.270 7.953 -13.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.885 8.649 -15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.069 7.495 -14.524 1.00 0.00 H new ATOM 355 N GLN A 25 9.228 10.667 -12.945 1.00 0.00 N ATOM 356 CA GLN A 25 9.375 12.022 -13.464 1.00 0.00 C ATOM 357 C GLN A 25 10.446 12.787 -12.693 1.00 0.00 C ATOM 358 O GLN A 25 11.245 13.517 -13.281 1.00 0.00 O ATOM 359 CB GLN A 25 8.042 12.768 -13.386 1.00 0.00 C ATOM 360 CG GLN A 25 7.151 12.550 -14.597 1.00 0.00 C ATOM 361 CD GLN A 25 7.473 13.496 -15.738 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.691 14.689 -15.526 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.506 12.968 -16.955 1.00 0.00 N ATOM 0 H GLN A 25 8.270 10.408 -12.708 1.00 0.00 H new ATOM 0 HA GLN A 25 9.684 11.953 -14.507 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.508 12.449 -12.491 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.238 13.835 -13.277 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.259 11.522 -14.942 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.109 12.681 -14.305 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.319 11.974 -17.085 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.718 13.556 -17.761 1.00 0.00 H new ATOM 372 N ILE A 26 10.456 12.615 -11.375 1.00 0.00 N ATOM 373 CA ILE A 26 11.429 13.289 -10.525 1.00 0.00 C ATOM 374 C ILE A 26 12.838 12.764 -10.779 1.00 0.00 C ATOM 375 O ILE A 26 13.728 13.513 -11.182 1.00 0.00 O ATOM 376 CB ILE A 26 11.089 13.114 -9.033 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.633 13.505 -8.770 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.030 13.946 -8.175 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.338 14.962 -9.051 1.00 0.00 C ATOM 0 H ILE A 26 9.801 12.015 -10.873 1.00 0.00 H new ATOM 0 HA ILE A 26 11.388 14.349 -10.777 1.00 0.00 H new ATOM 0 HB ILE A 26 11.217 12.065 -8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.982 12.885 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.389 13.287 -7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.777 13.812 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.058 13.625 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.930 14.998 -8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.288 15.167 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.963 15.589 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.550 15.181 -10.098 1.00 0.00 H new ATOM 391 N ARG A 27 13.033 11.471 -10.541 1.00 0.00 N ATOM 392 CA ARG A 27 14.334 10.844 -10.744 1.00 0.00 C ATOM 393 C ARG A 27 15.047 11.450 -11.949 1.00 0.00 C ATOM 394 O ARG A 27 16.218 11.822 -11.869 1.00 0.00 O ATOM 395 CB ARG A 27 14.173 9.336 -10.941 1.00 0.00 C ATOM 396 CG ARG A 27 14.049 8.562 -9.638 1.00 0.00 C ATOM 397 CD ARG A 27 15.410 8.317 -9.004 1.00 0.00 C ATOM 398 NE ARG A 27 15.386 7.193 -8.073 1.00 0.00 N ATOM 399 CZ ARG A 27 16.479 6.575 -7.638 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.675 6.972 -8.048 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.375 5.559 -6.791 1.00 0.00 N ATOM 0 H ARG A 27 12.307 10.837 -10.207 1.00 0.00 H new ATOM 0 HA ARG A 27 14.938 11.025 -9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.288 9.150 -11.550 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.029 8.957 -11.499 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.417 9.116 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.557 7.608 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.145 8.124 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.732 9.216 -8.479 1.00 0.00 H new ATOM 0 HE ARG A 27 14.481 6.864 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.758 7.753 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.513 6.496 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.456 5.252 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.214 5.085 -6.458 1.00 0.00 H new ATOM 415 N THR A 28 14.333 11.548 -13.066 1.00 0.00 N ATOM 416 CA THR A 28 14.897 12.108 -14.288 1.00 0.00 C ATOM 417 C THR A 28 15.459 13.504 -14.045 1.00 0.00 C ATOM 418 O THR A 28 16.550 13.834 -14.509 1.00 0.00 O ATOM 419 CB THR A 28 13.846 12.179 -15.411 1.00 0.00 C ATOM 420 OG1 THR A 28 13.282 10.882 -15.637 1.00 0.00 O ATOM 421 CG2 THR A 28 14.464 12.700 -16.699 1.00 0.00 C ATOM 0 H THR A 28 13.362 11.247 -13.150 1.00 0.00 H new ATOM 0 HA THR A 28 15.704 11.443 -14.597 1.00 0.00 H new ATOM 0 HB THR A 28 13.060 12.867 -15.100 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.648 10.671 -14.920 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.702 12.741 -17.477 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.866 13.699 -16.531 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.267 12.034 -17.013 1.00 0.00 H new ATOM 429 N ARG A 29 14.707 14.321 -13.313 1.00 0.00 N ATOM 430 CA ARG A 29 15.131 15.682 -13.010 1.00 0.00 C ATOM 431 C ARG A 29 16.191 15.689 -11.913 1.00 0.00 C ATOM 432 O ARG A 29 17.296 16.198 -12.106 1.00 0.00 O ATOM 433 CB ARG A 29 13.931 16.528 -12.579 1.00 0.00 C ATOM 434 CG ARG A 29 13.068 16.996 -13.740 1.00 0.00 C ATOM 435 CD ARG A 29 11.707 17.477 -13.262 1.00 0.00 C ATOM 436 NE ARG A 29 11.047 18.322 -14.254 1.00 0.00 N ATOM 437 CZ ARG A 29 9.798 18.759 -14.132 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.079 18.434 -13.067 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.267 19.525 -15.077 1.00 0.00 N ATOM 0 H ARG A 29 13.802 14.063 -12.920 1.00 0.00 H new ATOM 0 HA ARG A 29 15.564 16.111 -13.914 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.316 15.948 -11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.289 17.398 -12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.575 17.802 -14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.938 16.180 -14.451 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.075 16.617 -13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.825 18.034 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 29 11.573 18.591 -15.085 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.484 17.847 -12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.121 18.771 -12.976 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.818 19.778 -15.897 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.308 19.860 -14.983 1.00 0.00 H new ATOM 453 N HIS A 30 15.849 15.121 -10.761 1.00 0.00 N ATOM 454 CA HIS A 30 16.771 15.061 -9.633 1.00 0.00 C ATOM 455 C HIS A 30 17.288 13.641 -9.429 1.00 0.00 C ATOM 456 O HIS A 30 16.855 12.919 -8.530 1.00 0.00 O ATOM 457 CB HIS A 30 16.084 15.555 -8.359 1.00 0.00 C ATOM 458 CG HIS A 30 15.289 16.809 -8.554 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.715 18.046 -8.122 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.086 17.010 -9.142 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.809 18.956 -8.433 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.811 18.354 -9.053 1.00 0.00 N ATOM 0 H HIS A 30 14.939 14.695 -10.584 1.00 0.00 H new ATOM 0 HA HIS A 30 17.619 15.709 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.425 14.772 -7.984 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.840 15.729 -7.593 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.460 16.256 -9.596 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.874 20.012 -8.217 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.972 18.812 -9.408 1.00 0.00 H new ATOM 471 N PRO A 31 18.237 13.227 -10.282 1.00 0.00 N ATOM 472 CA PRO A 31 18.835 11.890 -10.215 1.00 0.00 C ATOM 473 C PRO A 31 19.722 11.713 -8.988 1.00 0.00 C ATOM 474 O PRO A 31 20.267 10.633 -8.756 1.00 0.00 O ATOM 475 CB PRO A 31 19.670 11.810 -11.495 1.00 0.00 C ATOM 476 CG PRO A 31 19.987 13.227 -11.830 1.00 0.00 C ATOM 477 CD PRO A 31 18.802 14.034 -11.377 1.00 0.00 C ATOM 0 HA PRO A 31 18.079 11.109 -10.134 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.578 11.227 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.116 11.327 -12.300 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.897 13.553 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.155 13.347 -12.900 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.099 15.025 -11.034 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.082 14.178 -12.183 1.00 0.00 H new ATOM 485 N ASP A 32 19.862 12.777 -8.205 1.00 0.00 N ATOM 486 CA ASP A 32 20.682 12.737 -7.001 1.00 0.00 C ATOM 487 C ASP A 32 19.814 12.578 -5.757 1.00 0.00 C ATOM 488 O ASP A 32 20.289 12.146 -4.705 1.00 0.00 O ATOM 489 CB ASP A 32 21.525 14.009 -6.890 1.00 0.00 C ATOM 490 CG ASP A 32 22.656 14.044 -7.900 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.025 12.968 -8.415 1.00 0.00 O ATOM 492 OD2 ASP A 32 23.170 15.147 -8.175 1.00 0.00 O ATOM 0 H ASP A 32 19.418 13.678 -8.383 1.00 0.00 H new ATOM 0 HA ASP A 32 21.345 11.875 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.885 14.879 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.938 14.081 -5.884 1.00 0.00 H new ATOM 497 N LEU A 33 18.540 12.930 -5.882 1.00 0.00 N ATOM 498 CA LEU A 33 17.603 12.827 -4.768 1.00 0.00 C ATOM 499 C LEU A 33 17.290 11.368 -4.452 1.00 0.00 C ATOM 500 O LEU A 33 16.845 10.603 -5.309 1.00 0.00 O ATOM 501 CB LEU A 33 16.312 13.580 -5.091 1.00 0.00 C ATOM 502 CG LEU A 33 16.326 15.084 -4.821 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.908 15.635 -4.789 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.046 15.385 -3.513 1.00 0.00 C ATOM 0 H LEU A 33 18.131 13.290 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 33 18.069 13.277 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.077 13.423 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.502 13.135 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 33 16.866 15.573 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.939 16.707 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.425 15.453 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.343 15.140 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.046 16.461 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.534 14.883 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.074 15.027 -3.573 1.00 0.00 H new ATOM 516 N PRO A 34 17.527 10.971 -3.193 1.00 0.00 N ATOM 517 CA PRO A 34 17.275 9.602 -2.735 1.00 0.00 C ATOM 518 C PRO A 34 15.786 9.280 -2.661 1.00 0.00 C ATOM 519 O PRO A 34 14.959 9.982 -3.244 1.00 0.00 O ATOM 520 CB PRO A 34 17.897 9.575 -1.337 1.00 0.00 C ATOM 521 CG PRO A 34 17.869 10.994 -0.882 1.00 0.00 C ATOM 522 CD PRO A 34 18.058 11.828 -2.120 1.00 0.00 C ATOM 0 HA PRO A 34 17.693 8.861 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.330 8.932 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.916 9.188 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.923 11.229 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.659 11.187 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.517 12.772 -2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.108 12.073 -2.283 1.00 0.00 H new ATOM 530 N PHE A 35 15.450 8.215 -1.941 1.00 0.00 N ATOM 531 CA PHE A 35 14.060 7.799 -1.792 1.00 0.00 C ATOM 532 C PHE A 35 13.303 8.755 -0.875 1.00 0.00 C ATOM 533 O PHE A 35 12.306 9.367 -1.261 1.00 0.00 O ATOM 534 CB PHE A 35 13.987 6.377 -1.235 1.00 0.00 C ATOM 535 CG PHE A 35 12.792 6.136 -0.358 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.544 6.619 -0.719 1.00 0.00 C ATOM 537 CD2 PHE A 35 12.915 5.427 0.825 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.442 6.399 0.086 1.00 0.00 C ATOM 539 CE2 PHE A 35 11.816 5.204 1.634 1.00 0.00 C ATOM 540 CZ PHE A 35 10.577 5.690 1.264 1.00 0.00 C ATOM 0 H PHE A 35 16.122 7.624 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 35 13.593 7.820 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.966 5.671 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.893 6.172 -0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.431 7.173 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.881 5.044 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.475 6.782 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.926 4.650 2.555 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.717 5.516 1.893 1.00 0.00 H new ATOM 550 N PRO A 36 13.785 8.888 0.369 1.00 0.00 N ATOM 551 CA PRO A 36 13.169 9.768 1.367 1.00 0.00 C ATOM 552 C PRO A 36 13.355 11.245 1.032 1.00 0.00 C ATOM 553 O PRO A 36 13.228 12.107 1.900 1.00 0.00 O ATOM 554 CB PRO A 36 13.912 9.415 2.658 1.00 0.00 C ATOM 555 CG PRO A 36 15.230 8.888 2.204 1.00 0.00 C ATOM 556 CD PRO A 36 14.969 8.191 0.897 1.00 0.00 C ATOM 0 HA PRO A 36 12.090 9.624 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.034 10.290 3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.366 8.671 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.951 9.696 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.648 8.199 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.819 8.275 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.779 7.127 1.040 1.00 0.00 H new ATOM 564 N GLU A 37 13.656 11.527 -0.232 1.00 0.00 N ATOM 565 CA GLU A 37 13.860 12.899 -0.679 1.00 0.00 C ATOM 566 C GLU A 37 12.955 13.224 -1.865 1.00 0.00 C ATOM 567 O GLU A 37 12.615 14.384 -2.100 1.00 0.00 O ATOM 568 CB GLU A 37 15.323 13.122 -1.066 1.00 0.00 C ATOM 569 CG GLU A 37 16.221 13.445 0.117 1.00 0.00 C ATOM 570 CD GLU A 37 16.133 14.899 0.537 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.145 15.776 -0.352 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.051 15.159 1.755 1.00 0.00 O ATOM 0 H GLU A 37 13.764 10.824 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 37 13.605 13.564 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.699 12.228 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.379 13.937 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.947 12.810 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.253 13.207 -0.140 1.00 0.00 H new ATOM 579 N ILE A 38 12.569 12.192 -2.608 1.00 0.00 N ATOM 580 CA ILE A 38 11.705 12.367 -3.769 1.00 0.00 C ATOM 581 C ILE A 38 10.234 12.325 -3.369 1.00 0.00 C ATOM 582 O ILE A 38 9.430 13.138 -3.827 1.00 0.00 O ATOM 583 CB ILE A 38 11.967 11.288 -4.835 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.396 11.404 -5.369 1.00 0.00 C ATOM 585 CG2 ILE A 38 10.960 11.406 -5.968 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.845 10.194 -6.158 1.00 0.00 C ATOM 0 H ILE A 38 12.841 11.226 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 38 11.937 13.345 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 38 11.850 10.307 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.468 12.288 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.077 11.555 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.159 10.636 -6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 38 9.952 11.277 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.046 12.389 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.867 10.345 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.805 9.310 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.187 10.054 -7.015 1.00 0.00 H new ATOM 598 N THR A 39 9.887 11.371 -2.509 1.00 0.00 N ATOM 599 CA THR A 39 8.512 11.223 -2.047 1.00 0.00 C ATOM 600 C THR A 39 8.047 12.467 -1.300 1.00 0.00 C ATOM 601 O THR A 39 6.951 12.975 -1.540 1.00 0.00 O ATOM 602 CB THR A 39 8.359 9.997 -1.127 1.00 0.00 C ATOM 603 OG1 THR A 39 8.526 8.793 -1.883 1.00 0.00 O ATOM 604 CG2 THR A 39 6.995 9.993 -0.453 1.00 0.00 C ATOM 0 H THR A 39 10.539 10.690 -2.119 1.00 0.00 H new ATOM 0 HA THR A 39 7.893 11.083 -2.933 1.00 0.00 H new ATOM 0 HB THR A 39 9.128 10.051 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.273 8.023 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.910 9.118 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.882 10.897 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.214 9.961 -1.213 1.00 0.00 H new ATOM 612 N LYS A 40 8.884 12.954 -0.391 1.00 0.00 N ATOM 613 CA LYS A 40 8.560 14.140 0.392 1.00 0.00 C ATOM 614 C LYS A 40 8.123 15.287 -0.514 1.00 0.00 C ATOM 615 O LYS A 40 7.249 16.076 -0.154 1.00 0.00 O ATOM 616 CB LYS A 40 9.767 14.570 1.230 1.00 0.00 C ATOM 617 CG LYS A 40 10.891 15.176 0.410 1.00 0.00 C ATOM 618 CD LYS A 40 11.872 15.939 1.286 1.00 0.00 C ATOM 619 CE LYS A 40 12.948 16.621 0.455 1.00 0.00 C ATOM 620 NZ LYS A 40 12.394 17.738 -0.359 1.00 0.00 N ATOM 0 H LYS A 40 9.794 12.545 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 40 7.734 13.890 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.441 15.295 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.149 13.705 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.418 14.387 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.474 15.847 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.335 16.686 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.338 15.254 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.728 17.003 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.417 15.890 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.620 17.582 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.362 17.777 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.813 18.637 -0.046 1.00 0.00 H new ATOM 634 N MET A 41 8.735 15.372 -1.689 1.00 0.00 N ATOM 635 CA MET A 41 8.407 16.421 -2.648 1.00 0.00 C ATOM 636 C MET A 41 7.038 16.175 -3.274 1.00 0.00 C ATOM 637 O MET A 41 6.227 17.095 -3.400 1.00 0.00 O ATOM 638 CB MET A 41 9.474 16.496 -3.741 1.00 0.00 C ATOM 639 CG MET A 41 10.793 17.081 -3.262 1.00 0.00 C ATOM 640 SD MET A 41 11.788 17.745 -4.611 1.00 0.00 S ATOM 641 CE MET A 41 11.964 16.295 -5.649 1.00 0.00 C ATOM 0 H MET A 41 9.461 14.727 -2.001 1.00 0.00 H new ATOM 0 HA MET A 41 8.378 17.371 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.651 15.495 -4.134 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.096 17.100 -4.566 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.594 17.872 -2.539 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.361 16.309 -2.742 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.761 16.461 -6.374 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.211 15.432 -5.030 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.028 16.108 -6.175 1.00 0.00 H new ATOM 651 N LEU A 42 6.787 14.932 -3.667 1.00 0.00 N ATOM 652 CA LEU A 42 5.514 14.565 -4.281 1.00 0.00 C ATOM 653 C LEU A 42 4.356 14.803 -3.318 1.00 0.00 C ATOM 654 O LEU A 42 3.361 15.434 -3.671 1.00 0.00 O ATOM 655 CB LEU A 42 5.539 13.099 -4.715 1.00 0.00 C ATOM 656 CG LEU A 42 6.536 12.742 -5.819 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.635 11.234 -5.981 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.134 13.396 -7.132 1.00 0.00 C ATOM 0 H LEU A 42 7.447 14.160 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 42 5.367 15.195 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.760 12.486 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.540 12.824 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 42 7.517 13.121 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.349 10.999 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.970 10.789 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.657 10.831 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.854 13.131 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.143 13.047 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.116 14.479 -7.009 1.00 0.00 H new ATOM 670 N GLY A 43 4.494 14.295 -2.097 1.00 0.00 N ATOM 671 CA GLY A 43 3.453 14.463 -1.101 1.00 0.00 C ATOM 672 C GLY A 43 2.761 15.808 -1.206 1.00 0.00 C ATOM 673 O GLY A 43 1.540 15.897 -1.089 1.00 0.00 O ATOM 0 H GLY A 43 5.309 13.770 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.715 13.669 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.886 14.357 -0.106 1.00 0.00 H new ATOM 677 N ALA A 44 3.545 16.859 -1.428 1.00 0.00 N ATOM 678 CA ALA A 44 3.001 18.205 -1.549 1.00 0.00 C ATOM 679 C ALA A 44 2.095 18.323 -2.770 1.00 0.00 C ATOM 680 O ALA A 44 1.033 18.941 -2.708 1.00 0.00 O ATOM 681 CB ALA A 44 4.128 19.225 -1.626 1.00 0.00 C ATOM 0 H ALA A 44 4.559 16.803 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 44 2.401 18.409 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.707 20.226 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.734 19.166 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.751 19.014 -2.495 1.00 0.00 H new ATOM 687 N GLU A 45 2.522 17.725 -3.878 1.00 0.00 N ATOM 688 CA GLU A 45 1.748 17.764 -5.113 1.00 0.00 C ATOM 689 C GLU A 45 0.390 17.093 -4.927 1.00 0.00 C ATOM 690 O GLU A 45 -0.642 17.634 -5.325 1.00 0.00 O ATOM 691 CB GLU A 45 2.516 17.080 -6.245 1.00 0.00 C ATOM 692 CG GLU A 45 3.868 17.712 -6.532 1.00 0.00 C ATOM 693 CD GLU A 45 3.756 19.168 -6.940 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.554 19.433 -8.143 1.00 0.00 O ATOM 695 OE2 GLU A 45 3.871 20.043 -6.055 1.00 0.00 O ATOM 0 H GLU A 45 3.399 17.208 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 45 1.584 18.809 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.662 16.030 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.911 17.108 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.497 17.634 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.365 17.153 -7.325 1.00 0.00 H new ATOM 702 N TRP A 46 0.400 15.913 -4.320 1.00 0.00 N ATOM 703 CA TRP A 46 -0.831 15.167 -4.080 1.00 0.00 C ATOM 704 C TRP A 46 -1.876 16.044 -3.401 1.00 0.00 C ATOM 705 O TRP A 46 -3.063 15.975 -3.724 1.00 0.00 O ATOM 706 CB TRP A 46 -0.545 13.933 -3.221 1.00 0.00 C ATOM 707 CG TRP A 46 -1.787 13.259 -2.720 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.274 13.281 -1.445 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.695 12.459 -3.485 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.431 12.544 -1.370 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.711 12.030 -2.609 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.750 12.066 -4.825 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.767 11.227 -3.031 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.799 11.269 -5.242 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.796 10.856 -4.349 1.00 0.00 C ATOM 0 H TRP A 46 1.246 15.451 -3.985 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.225 14.846 -5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.037 13.220 -3.804 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.070 14.226 -2.370 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.817 13.802 -0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.990 12.402 -0.529 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.987 12.379 -5.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.536 10.908 -2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.851 10.959 -6.275 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.603 10.233 -4.707 1.00 0.00 H new ATOM 726 N SER A 47 -1.429 16.869 -2.460 1.00 0.00 N ATOM 727 CA SER A 47 -2.328 17.758 -1.733 1.00 0.00 C ATOM 728 C SER A 47 -2.745 18.940 -2.604 1.00 0.00 C ATOM 729 O SER A 47 -3.801 19.537 -2.396 1.00 0.00 O ATOM 730 CB SER A 47 -1.656 18.264 -0.455 1.00 0.00 C ATOM 731 OG SER A 47 -2.429 19.279 0.160 1.00 0.00 O ATOM 0 H SER A 47 -0.450 16.941 -2.183 1.00 0.00 H new ATOM 0 HA SER A 47 -3.221 17.193 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.519 17.436 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.664 18.650 -0.690 1.00 0.00 H new ATOM 0 HG SER A 47 -1.979 19.584 0.975 1.00 0.00 H new ATOM 737 N LYS A 48 -1.908 19.271 -3.581 1.00 0.00 N ATOM 738 CA LYS A 48 -2.187 20.379 -4.486 1.00 0.00 C ATOM 739 C LYS A 48 -2.837 19.881 -5.773 1.00 0.00 C ATOM 740 O LYS A 48 -3.038 20.646 -6.716 1.00 0.00 O ATOM 741 CB LYS A 48 -0.898 21.136 -4.813 1.00 0.00 C ATOM 742 CG LYS A 48 -0.247 21.781 -3.602 1.00 0.00 C ATOM 743 CD LYS A 48 1.093 22.405 -3.955 1.00 0.00 C ATOM 744 CE LYS A 48 2.222 21.393 -3.858 1.00 0.00 C ATOM 745 NZ LYS A 48 3.559 22.049 -3.881 1.00 0.00 N ATOM 0 H LYS A 48 -1.030 18.787 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.881 21.055 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.189 20.447 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.117 21.907 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.909 22.545 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.107 21.033 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.052 22.810 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.294 23.241 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.116 20.817 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.149 20.688 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.162 21.582 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.449 23.053 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.001 21.970 -2.943 1.00 0.00 H new ATOM 759 N LEU A 49 -3.167 18.594 -5.804 1.00 0.00 N ATOM 760 CA LEU A 49 -3.796 17.994 -6.975 1.00 0.00 C ATOM 761 C LEU A 49 -5.217 18.516 -7.158 1.00 0.00 C ATOM 762 O LEU A 49 -5.815 19.054 -6.225 1.00 0.00 O ATOM 763 CB LEU A 49 -3.814 16.469 -6.843 1.00 0.00 C ATOM 764 CG LEU A 49 -2.594 15.733 -7.397 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.718 14.237 -7.157 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.423 16.024 -8.881 1.00 0.00 C ATOM 0 H LEU A 49 -3.009 17.947 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.212 18.271 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.917 16.217 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.702 16.091 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.709 16.092 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.840 13.730 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.790 14.045 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.613 13.862 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.550 15.492 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.310 15.694 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.286 17.095 -9.028 1.00 0.00 H new ATOM 778 N GLN A 50 -5.753 18.353 -8.363 1.00 0.00 N ATOM 779 CA GLN A 50 -7.104 18.807 -8.667 1.00 0.00 C ATOM 780 C GLN A 50 -8.142 17.871 -8.057 1.00 0.00 C ATOM 781 O GLN A 50 -7.867 16.709 -7.756 1.00 0.00 O ATOM 782 CB GLN A 50 -7.306 18.896 -10.180 1.00 0.00 C ATOM 783 CG GLN A 50 -6.810 20.200 -10.784 1.00 0.00 C ATOM 784 CD GLN A 50 -7.613 21.401 -10.324 1.00 0.00 C ATOM 785 OE1 GLN A 50 -8.700 21.668 -10.836 1.00 0.00 O ATOM 786 NE2 GLN A 50 -7.081 22.130 -9.351 1.00 0.00 N ATOM 0 H GLN A 50 -5.272 17.909 -9.145 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.235 19.798 -8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.788 18.064 -10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.367 18.782 -10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.763 20.344 -10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.855 20.133 -11.871 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.177 21.871 -8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.576 22.949 -8.998 1.00 0.00 H new ATOM 795 N PRO A 51 -9.366 18.387 -7.869 1.00 0.00 N ATOM 796 CA PRO A 51 -10.472 17.615 -7.293 1.00 0.00 C ATOM 797 C PRO A 51 -10.969 16.523 -8.236 1.00 0.00 C ATOM 798 O PRO A 51 -11.917 15.805 -7.923 1.00 0.00 O ATOM 799 CB PRO A 51 -11.561 18.666 -7.070 1.00 0.00 C ATOM 800 CG PRO A 51 -11.263 19.737 -8.062 1.00 0.00 C ATOM 801 CD PRO A 51 -9.766 19.764 -8.204 1.00 0.00 C ATOM 0 HA PRO A 51 -10.174 17.092 -6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.555 18.246 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.536 19.052 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.742 19.528 -9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.640 20.701 -7.721 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.463 20.035 -9.215 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.312 20.490 -7.530 1.00 0.00 H new ATOM 809 N ALA A 52 -10.322 16.405 -9.391 1.00 0.00 N ATOM 810 CA ALA A 52 -10.697 15.401 -10.378 1.00 0.00 C ATOM 811 C ALA A 52 -9.624 14.324 -10.500 1.00 0.00 C ATOM 812 O ALA A 52 -9.933 13.141 -10.639 1.00 0.00 O ATOM 813 CB ALA A 52 -10.948 16.055 -11.728 1.00 0.00 C ATOM 0 H ALA A 52 -9.535 16.993 -9.666 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.618 14.923 -10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.227 15.293 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.755 16.782 -11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.042 16.560 -12.062 1.00 0.00 H new ATOM 819 N GLU A 53 -8.363 14.743 -10.448 1.00 0.00 N ATOM 820 CA GLU A 53 -7.245 13.812 -10.555 1.00 0.00 C ATOM 821 C GLU A 53 -7.052 13.041 -9.253 1.00 0.00 C ATOM 822 O GLU A 53 -7.025 11.810 -9.245 1.00 0.00 O ATOM 823 CB GLU A 53 -5.961 14.564 -10.910 1.00 0.00 C ATOM 824 CG GLU A 53 -6.057 15.356 -12.204 1.00 0.00 C ATOM 825 CD GLU A 53 -6.396 14.486 -13.398 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.734 13.442 -13.577 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.323 14.848 -14.153 1.00 0.00 O ATOM 0 H GLU A 53 -8.090 15.719 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.473 13.100 -11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.711 15.244 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.142 13.849 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.817 16.130 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.109 15.863 -12.386 1.00 0.00 H new ATOM 834 N LYS A 54 -6.919 13.774 -8.152 1.00 0.00 N ATOM 835 CA LYS A 54 -6.730 13.161 -6.843 1.00 0.00 C ATOM 836 C LYS A 54 -7.823 12.137 -6.558 1.00 0.00 C ATOM 837 O LYS A 54 -7.541 11.017 -6.134 1.00 0.00 O ATOM 838 CB LYS A 54 -6.724 14.234 -5.751 1.00 0.00 C ATOM 839 CG LYS A 54 -6.126 13.760 -4.437 1.00 0.00 C ATOM 840 CD LYS A 54 -6.601 14.611 -3.270 1.00 0.00 C ATOM 841 CE LYS A 54 -5.635 14.538 -2.099 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.966 15.536 -1.044 1.00 0.00 N ATOM 0 H LYS A 54 -6.939 14.794 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.768 12.648 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.162 15.098 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.747 14.568 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.401 12.719 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.038 13.797 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.706 15.647 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.588 14.275 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.658 13.536 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.619 14.709 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.284 15.454 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.919 16.494 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.926 15.357 -0.686 1.00 0.00 H new ATOM 856 N GLN A 55 -9.071 12.529 -6.795 1.00 0.00 N ATOM 857 CA GLN A 55 -10.206 11.644 -6.564 1.00 0.00 C ATOM 858 C GLN A 55 -10.126 10.410 -7.457 1.00 0.00 C ATOM 859 O GLN A 55 -10.291 9.282 -6.992 1.00 0.00 O ATOM 860 CB GLN A 55 -11.519 12.386 -6.818 1.00 0.00 C ATOM 861 CG GLN A 55 -12.756 11.581 -6.451 1.00 0.00 C ATOM 862 CD GLN A 55 -12.745 11.123 -5.006 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.090 11.727 -4.156 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.472 10.049 -4.720 1.00 0.00 N ATOM 0 H GLN A 55 -9.321 13.453 -7.147 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.175 11.320 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.518 13.315 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.574 12.660 -7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.645 12.186 -6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.826 10.711 -7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.000 9.579 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.503 9.694 -3.764 1.00 0.00 H new ATOM 873 N ARG A 56 -9.870 10.632 -8.742 1.00 0.00 N ATOM 874 CA ARG A 56 -9.767 9.538 -9.701 1.00 0.00 C ATOM 875 C ARG A 56 -8.719 8.522 -9.257 1.00 0.00 C ATOM 876 O ARG A 56 -8.951 7.313 -9.302 1.00 0.00 O ATOM 877 CB ARG A 56 -9.415 10.078 -11.087 1.00 0.00 C ATOM 878 CG ARG A 56 -9.088 8.991 -12.099 1.00 0.00 C ATOM 879 CD ARG A 56 -8.140 9.499 -13.175 1.00 0.00 C ATOM 880 NE ARG A 56 -8.854 10.129 -14.281 1.00 0.00 N ATOM 881 CZ ARG A 56 -9.692 9.479 -15.081 1.00 0.00 C ATOM 882 NH1 ARG A 56 -9.919 8.185 -14.897 1.00 0.00 N ATOM 883 NH2 ARG A 56 -10.306 10.122 -16.067 1.00 0.00 N ATOM 0 H ARG A 56 -9.730 11.559 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.734 9.038 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.251 10.670 -11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.561 10.750 -11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.638 8.140 -11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.008 8.634 -12.562 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.445 10.216 -12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.544 8.669 -13.554 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.701 11.123 -14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.450 7.687 -14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.563 7.688 -15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.135 11.117 -16.211 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.949 9.621 -16.680 1.00 0.00 H new ATOM 897 N TYR A 57 -7.564 9.020 -8.830 1.00 0.00 N ATOM 898 CA TYR A 57 -6.478 8.157 -8.381 1.00 0.00 C ATOM 899 C TYR A 57 -6.969 7.169 -7.327 1.00 0.00 C ATOM 900 O TYR A 57 -6.582 5.999 -7.328 1.00 0.00 O ATOM 901 CB TYR A 57 -5.331 8.996 -7.816 1.00 0.00 C ATOM 902 CG TYR A 57 -4.426 9.578 -8.878 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.870 8.771 -9.863 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.127 10.935 -8.897 1.00 0.00 C ATOM 905 CE1 TYR A 57 -3.041 9.299 -10.835 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.301 11.471 -9.866 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.761 10.649 -10.833 1.00 0.00 C ATOM 908 OH TYR A 57 -1.937 11.179 -11.799 1.00 0.00 O ATOM 0 H TYR A 57 -7.356 10.017 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.116 7.593 -9.241 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.746 9.808 -7.219 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.737 8.378 -7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.089 7.713 -9.869 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.548 11.582 -8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.615 8.657 -11.592 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.079 12.528 -9.866 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.843 12.144 -11.655 1.00 0.00 H new ATOM 918 N LEU A 58 -7.820 7.648 -6.428 1.00 0.00 N ATOM 919 CA LEU A 58 -8.366 6.808 -5.367 1.00 0.00 C ATOM 920 C LEU A 58 -9.148 5.635 -5.948 1.00 0.00 C ATOM 921 O LEU A 58 -8.998 4.496 -5.507 1.00 0.00 O ATOM 922 CB LEU A 58 -9.270 7.635 -4.450 1.00 0.00 C ATOM 923 CG LEU A 58 -8.661 8.919 -3.888 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.722 9.746 -3.178 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.513 8.597 -2.943 1.00 0.00 C ATOM 0 H LEU A 58 -8.148 8.614 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.533 6.412 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.173 7.896 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.578 7.007 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.267 9.505 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.270 10.657 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.511 10.008 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.146 9.167 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.092 9.524 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.882 7.990 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.742 8.047 -3.482 1.00 0.00 H new ATOM 937 N ASP A 59 -9.982 5.920 -6.942 1.00 0.00 N ATOM 938 CA ASP A 59 -10.785 4.889 -7.587 1.00 0.00 C ATOM 939 C ASP A 59 -9.908 3.955 -8.415 1.00 0.00 C ATOM 940 O ASP A 59 -10.216 2.774 -8.568 1.00 0.00 O ATOM 941 CB ASP A 59 -11.854 5.526 -8.476 1.00 0.00 C ATOM 942 CG ASP A 59 -12.749 4.495 -9.135 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.261 3.610 -8.419 1.00 0.00 O ATOM 944 OD2 ASP A 59 -12.936 4.573 -10.368 1.00 0.00 O ATOM 0 H ASP A 59 -10.119 6.858 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.273 4.304 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.464 6.203 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.371 6.128 -9.245 1.00 0.00 H new ATOM 949 N GLU A 60 -8.815 4.494 -8.945 1.00 0.00 N ATOM 950 CA GLU A 60 -7.894 3.709 -9.759 1.00 0.00 C ATOM 951 C GLU A 60 -7.256 2.593 -8.936 1.00 0.00 C ATOM 952 O GLU A 60 -6.940 1.524 -9.458 1.00 0.00 O ATOM 953 CB GLU A 60 -6.806 4.608 -10.350 1.00 0.00 C ATOM 954 CG GLU A 60 -7.284 5.455 -11.517 1.00 0.00 C ATOM 955 CD GLU A 60 -6.144 6.142 -12.244 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.192 6.587 -11.569 1.00 0.00 O ATOM 957 OE2 GLU A 60 -6.205 6.236 -13.488 1.00 0.00 O ATOM 0 H GLU A 60 -8.545 5.470 -8.826 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.463 3.258 -10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.424 5.264 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.973 3.987 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.830 4.825 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.984 6.207 -11.153 1.00 0.00 H new ATOM 964 N ALA A 61 -7.070 2.850 -7.645 1.00 0.00 N ATOM 965 CA ALA A 61 -6.473 1.869 -6.749 1.00 0.00 C ATOM 966 C ALA A 61 -7.534 0.949 -6.155 1.00 0.00 C ATOM 967 O ALA A 61 -7.406 -0.274 -6.206 1.00 0.00 O ATOM 968 CB ALA A 61 -5.697 2.568 -5.643 1.00 0.00 C ATOM 0 H ALA A 61 -7.325 3.730 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.784 1.256 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.256 1.823 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.906 3.176 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.372 3.206 -5.073 1.00 0.00 H new ATOM 974 N GLU A 62 -8.580 1.546 -5.592 1.00 0.00 N ATOM 975 CA GLU A 62 -9.662 0.779 -4.987 1.00 0.00 C ATOM 976 C GLU A 62 -10.104 -0.356 -5.906 1.00 0.00 C ATOM 977 O GLU A 62 -10.225 -1.505 -5.479 1.00 0.00 O ATOM 978 CB GLU A 62 -10.851 1.691 -4.676 1.00 0.00 C ATOM 979 CG GLU A 62 -11.787 1.893 -5.855 1.00 0.00 C ATOM 980 CD GLU A 62 -12.948 2.812 -5.528 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.719 3.847 -4.868 1.00 0.00 O ATOM 982 OE2 GLU A 62 -14.087 2.494 -5.930 1.00 0.00 O ATOM 0 H GLU A 62 -8.701 2.558 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.292 0.347 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.414 1.269 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.478 2.661 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.226 2.307 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.174 0.926 -6.177 1.00 0.00 H new ATOM 989 N LYS A 63 -10.344 -0.026 -7.171 1.00 0.00 N ATOM 990 CA LYS A 63 -10.772 -1.016 -8.152 1.00 0.00 C ATOM 991 C LYS A 63 -9.751 -2.143 -8.269 1.00 0.00 C ATOM 992 O LYS A 63 -10.108 -3.321 -8.236 1.00 0.00 O ATOM 993 CB LYS A 63 -10.976 -0.356 -9.518 1.00 0.00 C ATOM 994 CG LYS A 63 -12.260 0.450 -9.618 1.00 0.00 C ATOM 995 CD LYS A 63 -12.517 0.915 -11.041 1.00 0.00 C ATOM 996 CE LYS A 63 -11.474 1.926 -11.495 1.00 0.00 C ATOM 997 NZ LYS A 63 -11.908 2.659 -12.715 1.00 0.00 N ATOM 0 H LYS A 63 -10.249 0.920 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.718 -1.439 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.129 0.298 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.980 -1.127 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.099 -0.156 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.200 1.315 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.509 0.056 -11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.510 1.361 -11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.284 2.638 -10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.533 1.413 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.079 2.868 -13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.579 2.073 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.370 3.549 -12.439 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.482 -1.774 -8.404 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.410 -2.757 -8.524 1.00 0.00 C ATOM 1013 C GLU A 64 -7.422 -3.722 -7.342 1.00 0.00 C ATOM 1014 O GLU A 64 -7.333 -4.937 -7.517 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.052 -2.056 -8.611 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.718 -1.548 -10.003 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.540 -2.671 -11.006 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.069 -3.757 -10.606 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -5.872 -2.465 -12.192 1.00 0.00 O ATOM 0 H GLU A 64 -8.170 -0.803 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.575 -3.327 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.040 -1.217 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.274 -2.748 -8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.512 -0.884 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.804 -0.956 -9.960 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.532 -3.171 -6.138 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.555 -3.981 -4.926 1.00 0.00 C ATOM 1028 C LYS A 65 -8.732 -4.952 -4.943 1.00 0.00 C ATOM 1029 O LYS A 65 -8.560 -6.151 -4.728 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.639 -3.083 -3.689 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.099 -3.733 -2.427 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.478 -2.943 -1.186 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.471 -3.819 0.057 1.00 0.00 C ATOM 1034 NZ LYS A 65 -6.111 -3.922 0.655 1.00 0.00 N ATOM 0 H LYS A 65 -7.607 -2.167 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.631 -4.558 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.085 -2.164 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.679 -2.800 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.487 -4.748 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.014 -3.811 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.781 -2.116 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.468 -2.507 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.162 -3.409 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.832 -4.815 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.148 -4.527 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.457 -4.336 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.777 -2.974 0.923 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.924 -4.425 -5.199 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.129 -5.246 -5.244 1.00 0.00 C ATOM 1050 C GLN A 66 -10.843 -6.594 -5.896 1.00 0.00 C ATOM 1051 O GLN A 66 -11.500 -7.591 -5.594 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.237 -4.520 -6.010 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.984 -3.496 -5.172 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.920 -4.135 -4.165 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.690 -5.035 -4.500 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.856 -3.673 -2.922 1.00 0.00 N ATOM 0 H GLN A 66 -10.082 -3.433 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.459 -5.421 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.802 -4.021 -6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.947 -5.255 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.265 -2.869 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.556 -2.842 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.202 -2.925 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.460 -4.066 -2.200 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.860 -6.619 -6.790 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.489 -7.846 -7.484 1.00 0.00 C ATOM 1067 C GLN A 67 -8.444 -8.625 -6.692 1.00 0.00 C ATOM 1068 O GLN A 67 -8.624 -9.808 -6.401 1.00 0.00 O ATOM 1069 CB GLN A 67 -8.953 -7.525 -8.880 1.00 0.00 C ATOM 1070 CG GLN A 67 -9.186 -8.636 -9.892 1.00 0.00 C ATOM 1071 CD GLN A 67 -9.060 -8.157 -11.324 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -8.344 -8.753 -12.129 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -9.755 -7.073 -11.650 1.00 0.00 N ATOM 0 H GLN A 67 -9.306 -5.803 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.382 -8.464 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.426 -6.612 -9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.884 -7.325 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.469 -9.438 -9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.179 -9.058 -9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.336 -6.610 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.708 -6.703 -12.599 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.350 -7.955 -6.346 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.275 -8.585 -5.591 1.00 0.00 C ATOM 1084 C TYR A 68 -6.833 -9.435 -4.453 1.00 0.00 C ATOM 1085 O TYR A 68 -6.204 -10.399 -4.016 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.326 -7.523 -5.031 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.631 -7.944 -3.755 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.261 -7.816 -2.523 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.346 -8.471 -3.782 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -4.629 -8.198 -1.356 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -2.707 -8.857 -2.620 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.353 -8.718 -1.409 1.00 0.00 C ATOM 1093 OH TYR A 68 -2.721 -9.102 -0.248 1.00 0.00 O ATOM 0 H TYR A 68 -7.185 -6.975 -6.577 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.723 -9.236 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.574 -7.287 -5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.888 -6.608 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.261 -7.411 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.838 -8.581 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.132 -8.090 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.708 -9.265 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.829 -9.448 -0.460 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.019 -9.071 -3.979 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.665 -9.799 -2.892 1.00 0.00 C ATOM 1105 C LEU A 69 -9.077 -11.197 -3.343 1.00 0.00 C ATOM 1106 O LEU A 69 -8.716 -12.193 -2.718 1.00 0.00 O ATOM 1107 CB LEU A 69 -9.891 -9.029 -2.395 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.642 -8.028 -1.266 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -9.043 -8.727 -0.055 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -8.731 -6.905 -1.740 1.00 0.00 C ATOM 0 H LEU A 69 -8.553 -8.276 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.949 -9.897 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.326 -8.494 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.636 -9.750 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.598 -7.594 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.873 -7.999 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.731 -9.495 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.096 -9.189 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.565 -6.202 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.776 -7.322 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.199 -6.386 -2.576 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.833 -11.263 -4.434 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.291 -12.538 -4.971 1.00 0.00 C ATOM 1124 C LYS A 70 -9.117 -13.362 -5.492 1.00 0.00 C ATOM 1125 O LYS A 70 -9.290 -14.506 -5.910 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.304 -12.307 -6.096 1.00 0.00 C ATOM 1127 CG LYS A 70 -12.417 -11.343 -5.722 1.00 0.00 C ATOM 1128 CD LYS A 70 -13.338 -11.071 -6.900 1.00 0.00 C ATOM 1129 CE LYS A 70 -14.320 -9.952 -6.593 1.00 0.00 C ATOM 1130 NZ LYS A 70 -13.753 -8.613 -6.917 1.00 0.00 N ATOM 0 H LYS A 70 -10.141 -10.448 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.772 -13.092 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.781 -11.923 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.743 -13.263 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.995 -11.756 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.985 -10.405 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.744 -10.805 -7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.886 -11.979 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.236 -10.106 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.591 -9.986 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.470 -7.881 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.922 -8.434 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.471 -8.588 -7.918 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.926 -12.772 -5.461 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.725 -13.454 -5.930 1.00 0.00 C ATOM 1146 C GLU A 71 -5.874 -13.926 -4.754 1.00 0.00 C ATOM 1147 O GLU A 71 -4.792 -14.484 -4.941 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.904 -12.527 -6.829 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.626 -12.116 -8.101 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.673 -11.724 -9.213 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -4.978 -12.618 -9.740 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.622 -10.524 -9.555 1.00 0.00 O ATOM 0 H GLU A 71 -7.767 -11.825 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.034 -14.326 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.638 -11.632 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.972 -13.025 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.254 -12.940 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.289 -11.278 -7.884 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.371 -13.699 -3.543 1.00 0.00 N ATOM 1160 CA LEU A 72 -5.656 -14.099 -2.336 1.00 0.00 C ATOM 1161 C LEU A 72 -6.234 -15.391 -1.766 1.00 0.00 C ATOM 1162 O LEU A 72 -5.497 -16.251 -1.284 1.00 0.00 O ATOM 1163 CB LEU A 72 -5.725 -12.988 -1.286 1.00 0.00 C ATOM 1164 CG LEU A 72 -4.978 -13.253 0.020 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -3.501 -13.496 -0.249 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -5.161 -12.090 0.985 1.00 0.00 C ATOM 0 H LEU A 72 -7.266 -13.240 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.613 -14.274 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.331 -12.073 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.773 -12.802 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.395 -14.149 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.986 -13.683 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.388 -14.361 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.070 -12.618 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.622 -12.296 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.771 -11.178 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.221 -11.962 1.204 1.00 0.00 H new ATOM 1178 N TRP A 73 -7.554 -15.519 -1.825 1.00 0.00 N ATOM 1179 CA TRP A 73 -8.230 -16.707 -1.317 1.00 0.00 C ATOM 1180 C TRP A 73 -8.636 -17.633 -2.458 1.00 0.00 C ATOM 1181 O TRP A 73 -8.290 -18.814 -2.464 1.00 0.00 O ATOM 1182 CB TRP A 73 -9.462 -16.309 -0.503 1.00 0.00 C ATOM 1183 CG TRP A 73 -10.273 -15.224 -1.145 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -9.929 -13.909 -1.272 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -11.565 -15.363 -1.748 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -10.929 -13.221 -1.916 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -11.943 -14.090 -2.220 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -12.438 -16.438 -1.936 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -13.156 -13.866 -2.866 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -13.641 -16.213 -2.577 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -13.991 -14.937 -3.036 1.00 0.00 C ATOM 0 H TRP A 73 -8.178 -14.815 -2.219 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.534 -17.242 -0.671 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.092 -17.187 -0.358 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.144 -15.978 0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.006 -13.473 -0.918 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.918 -12.224 -2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -12.177 -17.426 -1.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.428 -12.883 -3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.324 -17.036 -2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.939 -14.795 -3.534 1.00 0.00 H new ATOM 1202 N ALA A 74 -9.372 -17.090 -3.422 1.00 0.00 N ATOM 1203 CA ALA A 74 -9.823 -17.867 -4.569 1.00 0.00 C ATOM 1204 C ALA A 74 -8.716 -18.784 -5.080 1.00 0.00 C ATOM 1205 O ALA A 74 -8.986 -19.801 -5.720 1.00 0.00 O ATOM 1206 CB ALA A 74 -10.299 -16.943 -5.679 1.00 0.00 C ATOM 0 H ALA A 74 -9.669 -16.114 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.657 -18.491 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.633 -17.538 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.126 -16.333 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.480 -16.295 -5.989 1.00 0.00 H new ATOM 1212 N TYR A 75 -7.472 -18.418 -4.793 1.00 0.00 N ATOM 1213 CA TYR A 75 -6.325 -19.207 -5.227 1.00 0.00 C ATOM 1214 C TYR A 75 -5.928 -20.223 -4.161 1.00 0.00 C ATOM 1215 O TYR A 75 -5.756 -21.407 -4.451 1.00 0.00 O ATOM 1216 CB TYR A 75 -5.140 -18.292 -5.540 1.00 0.00 C ATOM 1217 CG TYR A 75 -3.795 -18.938 -5.299 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -3.317 -19.932 -6.144 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -3.000 -18.555 -4.225 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -2.090 -20.527 -5.926 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -1.770 -19.143 -4.000 1.00 0.00 C ATOM 1222 CZ TYR A 75 -1.320 -20.129 -4.854 1.00 0.00 C ATOM 1223 OH TYR A 75 -0.095 -20.717 -4.634 1.00 0.00 O ATOM 0 H TYR A 75 -7.232 -17.581 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.609 -19.747 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.201 -17.977 -6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.216 -17.392 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.916 -20.245 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.350 -17.784 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.736 -21.300 -6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.165 -18.833 -3.161 1.00 0.00 H new ATOM 0 HH TYR A 75 0.320 -20.322 -3.839 1.00 0.00 H new ATOM 1233 N GLN A 76 -5.788 -19.752 -2.926 1.00 0.00 N ATOM 1234 CA GLN A 76 -5.412 -20.619 -1.816 1.00 0.00 C ATOM 1235 C GLN A 76 -6.299 -21.859 -1.769 1.00 0.00 C ATOM 1236 O GLN A 76 -5.862 -22.929 -1.347 1.00 0.00 O ATOM 1237 CB GLN A 76 -5.507 -19.859 -0.492 1.00 0.00 C ATOM 1238 CG GLN A 76 -4.295 -18.989 -0.201 1.00 0.00 C ATOM 1239 CD GLN A 76 -4.373 -18.314 1.154 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -4.639 -18.959 2.168 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -4.141 -17.006 1.179 1.00 0.00 N ATOM 0 H GLN A 76 -5.929 -18.775 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.381 -20.938 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.399 -19.232 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.633 -20.575 0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.394 -19.601 -0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.204 -18.229 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.924 -16.510 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.180 -16.498 2.063 1.00 0.00 H new ATOM 1250 N GLN A 77 -7.546 -21.706 -2.204 1.00 0.00 N ATOM 1251 CA GLN A 77 -8.493 -22.813 -2.211 1.00 0.00 C ATOM 1252 C GLN A 77 -8.831 -23.233 -3.637 1.00 0.00 C ATOM 1253 O GLN A 77 -9.961 -23.624 -3.929 1.00 0.00 O ATOM 1254 CB GLN A 77 -9.771 -22.423 -1.467 1.00 0.00 C ATOM 1255 CG GLN A 77 -10.450 -21.185 -2.030 1.00 0.00 C ATOM 1256 CD GLN A 77 -11.492 -21.518 -3.080 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -12.459 -22.230 -2.807 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -11.300 -21.004 -4.289 1.00 0.00 N ATOM 0 H GLN A 77 -7.923 -20.826 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.028 -23.658 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.471 -23.258 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.532 -22.250 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.922 -20.633 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.697 -20.529 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.484 -20.419 -4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.968 -21.194 -5.036 1.00 0.00 H new ATOM 1267 N SER A 78 -7.843 -23.148 -4.524 1.00 0.00 N ATOM 1268 CA SER A 78 -8.037 -23.515 -5.921 1.00 0.00 C ATOM 1269 C SER A 78 -7.760 -24.999 -6.137 1.00 0.00 C ATOM 1270 O SER A 78 -7.246 -25.680 -5.250 1.00 0.00 O ATOM 1271 CB SER A 78 -7.125 -22.679 -6.822 1.00 0.00 C ATOM 1272 OG SER A 78 -5.764 -23.023 -6.628 1.00 0.00 O ATOM 0 H SER A 78 -6.901 -22.828 -4.299 1.00 0.00 H new ATOM 0 HA SER A 78 -9.076 -23.315 -6.182 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.398 -22.835 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.270 -21.620 -6.609 1.00 0.00 H new ATOM 0 HG SER A 78 -5.418 -22.558 -5.838 1.00 0.00 H new ATOM 1278 N GLU A 79 -8.104 -25.493 -7.322 1.00 0.00 N ATOM 1279 CA GLU A 79 -7.895 -26.898 -7.653 1.00 0.00 C ATOM 1280 C GLU A 79 -6.407 -27.203 -7.808 1.00 0.00 C ATOM 1281 O GLU A 79 -5.976 -28.343 -7.637 1.00 0.00 O ATOM 1282 CB GLU A 79 -8.636 -27.258 -8.942 1.00 0.00 C ATOM 1283 CG GLU A 79 -8.113 -26.530 -10.168 1.00 0.00 C ATOM 1284 CD GLU A 79 -8.749 -27.024 -11.455 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -8.686 -28.242 -11.718 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -9.309 -26.189 -12.197 1.00 0.00 O ATOM 0 H GLU A 79 -8.528 -24.942 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.291 -27.500 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.559 -28.333 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.695 -27.030 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.302 -25.462 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.032 -26.658 -10.229 1.00 0.00 H new ATOM 1293 N ALA A 80 -5.629 -26.177 -8.134 1.00 0.00 N ATOM 1294 CA ALA A 80 -4.190 -26.334 -8.310 1.00 0.00 C ATOM 1295 C ALA A 80 -3.481 -26.445 -6.965 1.00 0.00 C ATOM 1296 O ALA A 80 -2.579 -27.266 -6.794 1.00 0.00 O ATOM 1297 CB ALA A 80 -3.627 -25.170 -9.112 1.00 0.00 C ATOM 0 H ALA A 80 -5.971 -25.227 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.015 -27.259 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.552 -25.300 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.104 -25.139 -10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.821 -24.237 -8.584 1.00 0.00 H new ATOM 1303 N TYR A 81 -3.893 -25.616 -6.013 1.00 0.00 N ATOM 1304 CA TYR A 81 -3.295 -25.620 -4.684 1.00 0.00 C ATOM 1305 C TYR A 81 -3.427 -26.992 -4.031 1.00 0.00 C ATOM 1306 O TYR A 81 -2.475 -27.509 -3.446 1.00 0.00 O ATOM 1307 CB TYR A 81 -3.954 -24.557 -3.802 1.00 0.00 C ATOM 1308 CG TYR A 81 -3.223 -24.312 -2.502 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -2.158 -23.421 -2.438 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -3.599 -24.969 -1.336 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -1.487 -23.195 -1.252 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -2.934 -24.747 -0.146 1.00 0.00 C ATOM 1313 CZ TYR A 81 -1.879 -23.860 -0.108 1.00 0.00 C ATOM 1314 OH TYR A 81 -1.214 -23.635 1.076 1.00 0.00 O ATOM 0 H TYR A 81 -4.639 -24.932 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.235 -25.389 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.013 -23.621 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.977 -24.862 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.850 -22.897 -3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.425 -25.665 -1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.660 -22.501 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.239 -25.266 0.751 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.615 -24.180 1.785 1.00 0.00 H new ATOM 1324 N LYS A 82 -4.615 -27.578 -4.136 1.00 0.00 N ATOM 1325 CA LYS A 82 -4.874 -28.892 -3.559 1.00 0.00 C ATOM 1326 C LYS A 82 -4.315 -29.997 -4.448 1.00 0.00 C ATOM 1327 O LYS A 82 -3.451 -30.768 -4.029 1.00 0.00 O ATOM 1328 CB LYS A 82 -6.378 -29.095 -3.358 1.00 0.00 C ATOM 1329 CG LYS A 82 -6.995 -28.129 -2.363 1.00 0.00 C ATOM 1330 CD LYS A 82 -8.483 -28.382 -2.190 1.00 0.00 C ATOM 1331 CE LYS A 82 -9.212 -27.129 -1.729 1.00 0.00 C ATOM 1332 NZ LYS A 82 -9.610 -26.265 -2.875 1.00 0.00 N ATOM 0 H LYS A 82 -5.414 -27.163 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.374 -28.942 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.882 -28.986 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.556 -30.115 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.494 -28.228 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.836 -27.105 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.907 -28.724 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.635 -29.181 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.099 -27.413 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.570 -26.563 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.981 -25.362 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.782 -26.084 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.346 -26.745 -3.432 1.00 0.00 H new ATOM 1346 N VAL A 83 -4.810 -30.068 -5.679 1.00 0.00 N ATOM 1347 CA VAL A 83 -4.358 -31.077 -6.629 1.00 0.00 C ATOM 1348 C VAL A 83 -4.010 -32.382 -5.921 1.00 0.00 C ATOM 1349 O VAL A 83 -3.033 -33.046 -6.267 1.00 0.00 O ATOM 1350 CB VAL A 83 -3.129 -30.593 -7.421 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -1.921 -30.462 -6.505 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -2.833 -31.537 -8.575 1.00 0.00 C ATOM 0 H VAL A 83 -5.525 -29.438 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.182 -31.250 -7.321 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.350 -29.609 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.062 -30.119 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.139 -29.742 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.695 -31.431 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.962 -31.179 -9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.632 -32.535 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.693 -31.574 -9.244 1.00 0.00 H new ATOM 1362 N CYS A 84 -4.815 -32.742 -4.927 1.00 0.00 N ATOM 1363 CA CYS A 84 -4.593 -33.968 -4.169 1.00 0.00 C ATOM 1364 C CYS A 84 -5.913 -34.547 -3.671 1.00 0.00 C ATOM 1365 O CYS A 84 -6.899 -33.826 -3.512 1.00 0.00 O ATOM 1366 CB CYS A 84 -3.663 -33.698 -2.985 1.00 0.00 C ATOM 1367 SG CYS A 84 -2.696 -35.135 -2.463 1.00 0.00 S ATOM 0 H CYS A 84 -5.627 -32.202 -4.627 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.125 -34.696 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -2.980 -32.891 -3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.258 -33.348 -2.142 1.00 0.00 H new ATOM 0 HG CYS A 84 -1.939 -34.807 -1.458 1.00 0.00 H new ATOM 1373 N THR A 85 -5.927 -35.854 -3.429 1.00 0.00 N ATOM 1374 CA THR A 85 -7.126 -36.530 -2.952 1.00 0.00 C ATOM 1375 C THR A 85 -7.120 -36.655 -1.432 1.00 0.00 C ATOM 1376 O THR A 85 -6.110 -37.025 -0.835 1.00 0.00 O ATOM 1377 CB THR A 85 -7.262 -37.934 -3.569 1.00 0.00 C ATOM 1378 OG1 THR A 85 -8.502 -38.528 -3.170 1.00 0.00 O ATOM 1379 CG2 THR A 85 -6.107 -38.828 -3.143 1.00 0.00 C ATOM 0 H THR A 85 -5.121 -36.465 -3.556 1.00 0.00 H new ATOM 0 HA THR A 85 -7.975 -35.921 -3.261 1.00 0.00 H new ATOM 0 HB THR A 85 -7.241 -37.832 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.581 -39.420 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.226 -39.814 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.166 -38.389 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.101 -38.922 -2.057 1.00 0.00 H new ATOM 1387 N GLU A 86 -8.255 -36.343 -0.813 1.00 0.00 N ATOM 1388 CA GLU A 86 -8.378 -36.421 0.638 1.00 0.00 C ATOM 1389 C GLU A 86 -9.086 -37.706 1.056 1.00 0.00 C ATOM 1390 O GLU A 86 -9.609 -38.441 0.217 1.00 0.00 O ATOM 1391 CB GLU A 86 -9.144 -35.208 1.172 1.00 0.00 C ATOM 1392 CG GLU A 86 -10.634 -35.251 0.878 1.00 0.00 C ATOM 1393 CD GLU A 86 -11.383 -36.195 1.797 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -11.624 -35.822 2.965 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -11.729 -37.309 1.350 1.00 0.00 O ATOM 0 H GLU A 86 -9.101 -36.035 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.374 -36.425 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.997 -35.142 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.722 -34.302 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.049 -34.248 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.788 -35.559 -0.156 1.00 0.00 H new ATOM 1402 N SER A 87 -9.095 -37.973 2.357 1.00 0.00 N ATOM 1403 CA SER A 87 -9.733 -39.173 2.888 1.00 0.00 C ATOM 1404 C SER A 87 -10.698 -38.821 4.017 1.00 0.00 C ATOM 1405 O SER A 87 -10.442 -37.914 4.806 1.00 0.00 O ATOM 1406 CB SER A 87 -8.677 -40.157 3.392 1.00 0.00 C ATOM 1407 OG SER A 87 -8.024 -40.803 2.312 1.00 0.00 O ATOM 0 H SER A 87 -8.668 -37.375 3.064 1.00 0.00 H new ATOM 0 HA SER A 87 -10.299 -39.641 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.943 -39.628 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.147 -40.902 4.035 1.00 0.00 H new ATOM 0 HG SER A 87 -7.352 -41.426 2.661 1.00 0.00 H new ATOM 1413 N GLY A 88 -11.809 -39.549 4.086 1.00 0.00 N ATOM 1414 CA GLY A 88 -12.796 -39.300 5.120 1.00 0.00 C ATOM 1415 C GLY A 88 -14.211 -39.570 4.648 1.00 0.00 C ATOM 1416 O GLY A 88 -14.656 -40.716 4.579 1.00 0.00 O ATOM 0 H GLY A 88 -12.043 -40.307 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.579 -39.928 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.718 -38.264 5.451 1.00 0.00 H new ATOM 1420 N PRO A 89 -14.943 -38.496 4.316 1.00 0.00 N ATOM 1421 CA PRO A 89 -16.327 -38.598 3.844 1.00 0.00 C ATOM 1422 C PRO A 89 -16.422 -39.216 2.454 1.00 0.00 C ATOM 1423 O PRO A 89 -15.426 -39.310 1.737 1.00 0.00 O ATOM 1424 CB PRO A 89 -16.800 -37.142 3.816 1.00 0.00 C ATOM 1425 CG PRO A 89 -15.554 -36.343 3.651 1.00 0.00 C ATOM 1426 CD PRO A 89 -14.476 -37.102 4.374 1.00 0.00 C ATOM 0 HA PRO A 89 -16.929 -39.244 4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -17.494 -36.967 2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -17.321 -36.877 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.305 -36.221 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -15.674 -35.343 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.507 -36.982 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.363 -36.758 5.402 1.00 0.00 H new ATOM 1434 N SER A 90 -17.626 -39.635 2.078 1.00 0.00 N ATOM 1435 CA SER A 90 -17.850 -40.247 0.773 1.00 0.00 C ATOM 1436 C SER A 90 -19.314 -40.129 0.362 1.00 0.00 C ATOM 1437 O SER A 90 -20.215 -40.481 1.124 1.00 0.00 O ATOM 1438 CB SER A 90 -17.433 -41.719 0.799 1.00 0.00 C ATOM 1439 OG SER A 90 -17.485 -42.286 -0.498 1.00 0.00 O ATOM 0 H SER A 90 -18.462 -39.562 2.658 1.00 0.00 H new ATOM 0 HA SER A 90 -17.241 -39.717 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.422 -41.807 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.089 -42.275 1.469 1.00 0.00 H new ATOM 0 HG SER A 90 -17.212 -43.226 -0.455 1.00 0.00 H new ATOM 1445 N SER A 91 -19.544 -39.630 -0.849 1.00 0.00 N ATOM 1446 CA SER A 91 -20.898 -39.461 -1.361 1.00 0.00 C ATOM 1447 C SER A 91 -21.218 -40.520 -2.412 1.00 0.00 C ATOM 1448 O SER A 91 -20.342 -41.273 -2.836 1.00 0.00 O ATOM 1449 CB SER A 91 -21.068 -38.064 -1.962 1.00 0.00 C ATOM 1450 OG SER A 91 -22.419 -37.821 -2.316 1.00 0.00 O ATOM 0 H SER A 91 -18.810 -39.336 -1.493 1.00 0.00 H new ATOM 0 HA SER A 91 -21.592 -39.578 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.736 -37.313 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.434 -37.964 -2.843 1.00 0.00 H new ATOM 0 HG SER A 91 -22.501 -36.921 -2.696 1.00 0.00 H new ATOM 1456 N GLY A 92 -22.480 -40.571 -2.826 1.00 0.00 N ATOM 1457 CA GLY A 92 -22.895 -41.542 -3.823 1.00 0.00 C ATOM 1458 C GLY A 92 -24.005 -41.020 -4.714 1.00 0.00 C ATOM 1459 O GLY A 92 -24.914 -41.763 -5.084 1.00 0.00 O ATOM 0 H GLY A 92 -23.223 -39.958 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -22.038 -41.815 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -23.231 -42.450 -3.323 1.00 0.00 H new TER 1463 GLY A 92