USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 ASN : amide:sc= 1.44 K(o=1.1,f=-16!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 176:sc= -0.295 (180deg=-1.6) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0201) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 13 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.18) USER MOD Single : A 23 GLN : amide:sc=-0.00947 K(o=-0.0095,f=-7.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.874 K(o=0.87,f=-0.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 1.08 (180deg=0.681) USER MOD Single : A 50 SER OG : rot 36:sc= 0.0144 USER MOD Single : A 51 THR OG1 : rot 7:sc= 0.721 USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00493 USER MOD Single : A 54 ASN : amide:sc= -0.0812 X(o=-0.081,f=-0.51) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0257 (180deg=-0.251) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0131) USER MOD Single : A 66 SER OG : rot -37:sc= 0.329 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD Single : A 75 THR OG1 : rot 90:sc= 0.926 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -110:sc= 1.26 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0311) USER MOD Single : A 86 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.3) USER MOD Single : A 87 SER OG : rot -121:sc= 0.118 USER MOD Single : A 97 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 118 SER OG : rot -55:sc= -0.0774 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.196 8.068 -7.968 1.00 0.00 N ATOM 60 CA GLY A 7 -2.516 9.328 -7.758 1.00 0.00 C ATOM 61 C GLY A 7 -1.041 9.276 -8.127 1.00 0.00 C ATOM 62 O GLY A 7 -0.458 8.224 -8.410 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.006 10.102 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.613 9.617 -6.712 1.00 0.00 H new ATOM 66 N SER A 8 -0.419 10.449 -8.098 1.00 0.00 N ATOM 67 CA SER A 8 1.027 10.601 -7.985 1.00 0.00 C ATOM 68 C SER A 8 1.469 10.024 -6.634 1.00 0.00 C ATOM 69 O SER A 8 0.644 9.945 -5.724 1.00 0.00 O ATOM 70 CB SER A 8 1.340 12.100 -8.051 1.00 0.00 C ATOM 71 OG SER A 8 0.625 12.705 -9.126 1.00 0.00 O ATOM 0 H SER A 8 -0.915 11.338 -8.153 1.00 0.00 H new ATOM 0 HA SER A 8 1.552 10.078 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.068 12.578 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.411 12.250 -8.187 1.00 0.00 H new ATOM 0 HG SER A 8 0.831 13.663 -9.158 1.00 0.00 H new ATOM 77 N ALA A 9 2.749 9.695 -6.446 1.00 0.00 N ATOM 78 CA ALA A 9 3.224 9.032 -5.238 1.00 0.00 C ATOM 79 C ALA A 9 2.800 9.766 -3.971 1.00 0.00 C ATOM 80 O ALA A 9 1.973 9.241 -3.229 1.00 0.00 O ATOM 81 CB ALA A 9 4.728 8.766 -5.300 1.00 0.00 C ATOM 0 H ALA A 9 3.483 9.882 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 9 2.738 8.057 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.048 8.271 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.949 8.126 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.261 9.711 -5.407 1.00 0.00 H new ATOM 87 N LYS A 10 3.299 10.983 -3.726 1.00 0.00 N ATOM 88 CA LYS A 10 2.954 11.750 -2.517 1.00 0.00 C ATOM 89 C LYS A 10 1.457 12.018 -2.388 1.00 0.00 C ATOM 90 O LYS A 10 1.019 12.206 -1.258 1.00 0.00 O ATOM 91 CB LYS A 10 3.763 13.065 -2.461 1.00 0.00 C ATOM 92 CG LYS A 10 4.794 13.041 -1.316 1.00 0.00 C ATOM 93 CD LYS A 10 4.189 13.339 0.070 1.00 0.00 C ATOM 94 CE LYS A 10 4.097 14.833 0.405 1.00 0.00 C ATOM 95 NZ LYS A 10 5.430 15.402 0.704 1.00 0.00 N ATOM 0 H LYS A 10 3.947 11.463 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 10 3.226 11.132 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.275 13.220 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.084 13.906 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.273 12.062 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.575 13.772 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.191 12.904 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.791 12.843 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.651 15.369 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.438 14.976 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.324 16.386 1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.887 14.841 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.017 15.379 -0.154 1.00 0.00 H new ATOM 109 N ASN A 11 0.665 12.024 -3.468 1.00 0.00 N ATOM 110 CA ASN A 11 -0.779 12.283 -3.382 1.00 0.00 C ATOM 111 C ASN A 11 -1.446 11.337 -2.385 1.00 0.00 C ATOM 112 O ASN A 11 -2.309 11.786 -1.635 1.00 0.00 O ATOM 113 CB ASN A 11 -1.466 12.173 -4.754 1.00 0.00 C ATOM 114 CG ASN A 11 -2.980 12.372 -4.686 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.742 11.470 -5.021 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.436 13.550 -4.303 1.00 0.00 N ATOM 0 H ASN A 11 1.001 11.852 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.897 13.308 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.038 12.915 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.253 11.193 -5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.441 13.725 -4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.784 14.285 -4.029 1.00 0.00 H new ATOM 123 N ALA A 12 -1.024 10.067 -2.369 1.00 0.00 N ATOM 124 CA ALA A 12 -1.528 9.040 -1.471 1.00 0.00 C ATOM 125 C ALA A 12 -1.111 9.313 -0.019 1.00 0.00 C ATOM 126 O ALA A 12 -1.963 9.664 0.793 1.00 0.00 O ATOM 127 CB ALA A 12 -1.081 7.673 -1.990 1.00 0.00 C ATOM 0 H ALA A 12 -0.301 9.723 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.618 9.052 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.452 6.893 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.480 7.516 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.008 7.634 -2.022 1.00 0.00 H new ATOM 133 N TYR A 13 0.185 9.256 0.307 1.00 0.00 N ATOM 134 CA TYR A 13 0.742 9.538 1.637 1.00 0.00 C ATOM 135 C TYR A 13 0.192 10.825 2.242 1.00 0.00 C ATOM 136 O TYR A 13 -0.085 10.865 3.442 1.00 0.00 O ATOM 137 CB TYR A 13 2.260 9.657 1.521 1.00 0.00 C ATOM 138 CG TYR A 13 2.987 10.063 2.782 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.239 11.421 3.054 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.487 9.068 3.638 1.00 0.00 C ATOM 141 CE1 TYR A 13 4.043 11.784 4.144 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.319 9.426 4.712 1.00 0.00 C ATOM 143 CZ TYR A 13 4.611 10.785 4.964 1.00 0.00 C ATOM 144 OH TYR A 13 5.441 11.123 5.986 1.00 0.00 O ATOM 0 H TYR A 13 0.902 9.003 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 13 0.456 8.717 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.656 8.697 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.490 10.384 0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.812 12.185 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.233 8.032 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.228 12.827 4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.737 8.659 5.347 1.00 0.00 H new ATOM 0 HH TYR A 13 5.554 10.355 6.584 1.00 0.00 H new ATOM 154 N THR A 14 0.026 11.864 1.419 1.00 0.00 N ATOM 155 CA THR A 14 -0.460 13.148 1.887 1.00 0.00 C ATOM 156 C THR A 14 -1.786 12.964 2.646 1.00 0.00 C ATOM 157 O THR A 14 -2.015 13.606 3.673 1.00 0.00 O ATOM 158 CB THR A 14 -0.601 14.131 0.714 1.00 0.00 C ATOM 159 OG1 THR A 14 0.652 14.360 0.100 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.160 15.486 1.136 1.00 0.00 C ATOM 0 H THR A 14 0.225 11.832 0.419 1.00 0.00 H new ATOM 0 HA THR A 14 0.264 13.576 2.581 1.00 0.00 H new ATOM 0 HB THR A 14 -1.300 13.662 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.764 13.744 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.236 16.136 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.148 15.351 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.496 15.941 1.871 1.00 0.00 H new ATOM 168 N LYS A 15 -2.661 12.097 2.124 1.00 0.00 N ATOM 169 CA LYS A 15 -3.994 11.832 2.641 1.00 0.00 C ATOM 170 C LYS A 15 -3.939 11.085 3.964 1.00 0.00 C ATOM 171 O LYS A 15 -4.680 11.441 4.877 1.00 0.00 O ATOM 172 CB LYS A 15 -4.794 11.016 1.625 1.00 0.00 C ATOM 173 CG LYS A 15 -4.982 11.703 0.262 1.00 0.00 C ATOM 174 CD LYS A 15 -6.224 12.589 0.198 1.00 0.00 C ATOM 175 CE LYS A 15 -5.999 13.991 0.775 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.213 14.815 0.627 1.00 0.00 N ATOM 0 H LYS A 15 -2.444 11.542 1.296 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.483 12.791 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.293 10.060 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.775 10.797 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.102 12.307 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.047 10.941 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.545 12.678 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.035 12.105 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.729 13.917 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.163 14.470 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.041 15.761 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.454 14.901 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.002 14.365 1.134 1.00 0.00 H new ATOM 190 N LEU A 16 -3.078 10.071 4.089 1.00 0.00 N ATOM 191 CA LEU A 16 -2.927 9.281 5.306 1.00 0.00 C ATOM 192 C LEU A 16 -2.748 10.181 6.521 1.00 0.00 C ATOM 193 O LEU A 16 -3.385 9.950 7.548 1.00 0.00 O ATOM 194 CB LEU A 16 -1.707 8.364 5.179 1.00 0.00 C ATOM 195 CG LEU A 16 -1.995 6.978 4.614 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.687 7.000 3.258 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.655 6.245 4.500 1.00 0.00 C ATOM 0 H LEU A 16 -2.459 9.775 3.334 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.831 8.686 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.969 8.853 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.253 8.251 6.164 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.686 6.473 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.859 5.978 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.642 7.519 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.057 7.519 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.820 5.245 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.007 6.799 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.197 6.168 5.486 1.00 0.00 H new ATOM 209 N GLY A 17 -1.877 11.185 6.406 1.00 0.00 N ATOM 210 CA GLY A 17 -1.556 12.092 7.492 1.00 0.00 C ATOM 211 C GLY A 17 -2.262 13.419 7.309 1.00 0.00 C ATOM 212 O GLY A 17 -1.631 14.467 7.450 1.00 0.00 O ATOM 0 H GLY A 17 -1.373 11.387 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.849 11.647 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.478 12.251 7.533 1.00 0.00 H new ATOM 216 N THR A 18 -3.544 13.385 6.948 1.00 0.00 N ATOM 217 CA THR A 18 -4.399 14.561 6.915 1.00 0.00 C ATOM 218 C THR A 18 -5.881 14.153 7.016 1.00 0.00 C ATOM 219 O THR A 18 -6.696 14.926 7.516 1.00 0.00 O ATOM 220 CB THR A 18 -4.022 15.412 5.677 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.037 16.790 5.981 1.00 0.00 O ATOM 222 CG2 THR A 18 -4.839 15.137 4.418 1.00 0.00 C ATOM 0 H THR A 18 -4.020 12.527 6.668 1.00 0.00 H new ATOM 0 HA THR A 18 -4.239 15.201 7.783 1.00 0.00 H new ATOM 0 HB THR A 18 -3.008 15.095 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.794 17.304 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.495 15.785 3.612 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.715 14.095 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.892 15.334 4.617 1.00 0.00 H new ATOM 230 N ASP A 19 -6.255 12.925 6.645 1.00 0.00 N ATOM 231 CA ASP A 19 -7.578 12.358 6.925 1.00 0.00 C ATOM 232 C ASP A 19 -7.664 11.761 8.329 1.00 0.00 C ATOM 233 O ASP A 19 -8.715 11.768 8.970 1.00 0.00 O ATOM 234 CB ASP A 19 -7.867 11.241 5.928 1.00 0.00 C ATOM 235 CG ASP A 19 -9.246 10.656 6.205 1.00 0.00 C ATOM 236 OD1 ASP A 19 -10.265 11.327 5.924 1.00 0.00 O ATOM 237 OD2 ASP A 19 -9.328 9.532 6.720 1.00 0.00 O ATOM 0 H ASP A 19 -5.641 12.289 6.136 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.301 13.169 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.822 11.627 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.108 10.463 6.007 1.00 0.00 H new ATOM 242 N ASP A 20 -6.527 11.235 8.767 1.00 0.00 N ATOM 243 CA ASP A 20 -6.260 10.403 9.944 1.00 0.00 C ATOM 244 C ASP A 20 -6.896 9.007 9.876 1.00 0.00 C ATOM 245 O ASP A 20 -6.228 8.030 10.218 1.00 0.00 O ATOM 246 CB ASP A 20 -6.610 11.132 11.251 1.00 0.00 C ATOM 247 CG ASP A 20 -6.054 10.386 12.468 1.00 0.00 C ATOM 248 OD1 ASP A 20 -4.810 10.281 12.588 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.840 9.885 13.311 1.00 0.00 O ATOM 0 H ASP A 20 -5.665 11.398 8.247 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.184 10.230 9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.206 12.144 11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.692 11.224 11.341 1.00 0.00 H new ATOM 254 N ASN A 21 -8.155 8.875 9.444 1.00 0.00 N ATOM 255 CA ASN A 21 -8.848 7.578 9.401 1.00 0.00 C ATOM 256 C ASN A 21 -8.401 6.705 8.226 1.00 0.00 C ATOM 257 O ASN A 21 -8.548 5.486 8.301 1.00 0.00 O ATOM 258 CB ASN A 21 -10.383 7.746 9.410 1.00 0.00 C ATOM 259 CG ASN A 21 -10.928 7.833 10.834 1.00 0.00 C ATOM 260 OD1 ASN A 21 -10.689 6.948 11.653 1.00 0.00 O ATOM 261 ND2 ASN A 21 -11.661 8.872 11.193 1.00 0.00 N ATOM 0 H ASN A 21 -8.721 9.657 9.116 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.560 7.055 10.313 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.655 8.647 8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.845 6.905 8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.024 8.936 12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.864 9.610 10.519 1.00 0.00 H new ATOM 268 N ALA A 22 -7.791 7.299 7.202 1.00 0.00 N ATOM 269 CA ALA A 22 -7.265 6.658 6.005 1.00 0.00 C ATOM 270 C ALA A 22 -6.250 5.554 6.366 1.00 0.00 C ATOM 271 O ALA A 22 -5.667 5.580 7.454 1.00 0.00 O ATOM 272 CB ALA A 22 -6.611 7.754 5.160 1.00 0.00 C ATOM 0 H ALA A 22 -7.643 8.308 7.189 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.065 6.171 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.202 7.316 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.356 8.505 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.808 8.222 5.730 1.00 0.00 H new ATOM 278 N GLN A 23 -5.980 4.606 5.459 1.00 0.00 N ATOM 279 CA GLN A 23 -5.093 3.459 5.715 1.00 0.00 C ATOM 280 C GLN A 23 -4.151 3.144 4.546 1.00 0.00 C ATOM 281 O GLN A 23 -4.281 3.736 3.481 1.00 0.00 O ATOM 282 CB GLN A 23 -5.932 2.205 6.045 1.00 0.00 C ATOM 283 CG GLN A 23 -5.914 1.799 7.530 1.00 0.00 C ATOM 284 CD GLN A 23 -4.547 1.232 7.946 1.00 0.00 C ATOM 285 OE1 GLN A 23 -3.494 1.702 7.525 1.00 0.00 O ATOM 286 NE2 GLN A 23 -4.511 0.200 8.762 1.00 0.00 N ATOM 0 H GLN A 23 -6.374 4.612 4.518 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.469 3.739 6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.964 2.383 5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.565 1.370 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.152 2.665 8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.688 1.054 7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.379 -0.199 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.615 -0.201 9.038 1.00 0.00 H new ATOM 295 N LEU A 24 -3.258 2.157 4.713 1.00 0.00 N ATOM 296 CA LEU A 24 -2.330 1.656 3.700 1.00 0.00 C ATOM 297 C LEU A 24 -2.422 0.126 3.598 1.00 0.00 C ATOM 298 O LEU A 24 -2.328 -0.550 4.628 1.00 0.00 O ATOM 299 CB LEU A 24 -0.914 2.122 4.083 1.00 0.00 C ATOM 300 CG LEU A 24 0.182 2.098 2.998 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.392 0.771 2.268 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.066 3.210 1.982 1.00 0.00 C ATOM 0 H LEU A 24 -3.162 1.666 5.602 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.584 2.050 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.990 3.143 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.574 1.503 4.913 1.00 0.00 H new ATOM 0 HG LEU A 24 1.108 2.254 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.188 0.883 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.669 0.000 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.531 0.483 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.712 3.186 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.039 3.064 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.049 4.175 2.488 1.00 0.00 H new ATOM 314 N LEU A 25 -2.593 -0.420 2.383 1.00 0.00 N ATOM 315 CA LEU A 25 -2.570 -1.862 2.090 1.00 0.00 C ATOM 316 C LEU A 25 -1.384 -2.170 1.182 1.00 0.00 C ATOM 317 O LEU A 25 -1.435 -1.982 -0.032 1.00 0.00 O ATOM 318 CB LEU A 25 -3.896 -2.364 1.468 1.00 0.00 C ATOM 319 CG LEU A 25 -4.347 -3.788 1.845 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.577 -4.886 1.121 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.234 -4.089 3.329 1.00 0.00 C ATOM 0 H LEU A 25 -2.756 0.148 1.552 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.458 -2.398 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.688 -1.671 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.802 -2.314 0.383 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.392 -3.795 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.949 -5.860 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.713 -4.777 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.517 -4.807 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.569 -5.109 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.196 -3.983 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.856 -3.392 3.890 1.00 0.00 H new ATOM 333 N ASP A 26 -0.281 -2.586 1.780 1.00 0.00 N ATOM 334 CA ASP A 26 0.917 -2.981 1.059 1.00 0.00 C ATOM 335 C ASP A 26 0.658 -4.339 0.403 1.00 0.00 C ATOM 336 O ASP A 26 0.553 -5.357 1.099 1.00 0.00 O ATOM 337 CB ASP A 26 2.097 -2.979 2.036 1.00 0.00 C ATOM 338 CG ASP A 26 3.410 -2.915 1.282 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.548 -3.648 0.286 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.295 -2.128 1.698 1.00 0.00 O ATOM 0 H ASP A 26 -0.191 -2.660 2.793 1.00 0.00 H new ATOM 0 HA ASP A 26 1.170 -2.285 0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.017 -2.127 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.068 -3.878 2.652 1.00 0.00 H new ATOM 345 N ILE A 27 0.447 -4.335 -0.918 1.00 0.00 N ATOM 346 CA ILE A 27 0.223 -5.531 -1.728 1.00 0.00 C ATOM 347 C ILE A 27 1.537 -6.093 -2.280 1.00 0.00 C ATOM 348 O ILE A 27 1.478 -7.038 -3.078 1.00 0.00 O ATOM 349 CB ILE A 27 -0.821 -5.321 -2.851 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.412 -4.280 -3.911 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.201 -5.048 -2.231 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.226 -4.393 -5.208 1.00 0.00 C ATOM 0 H ILE A 27 0.427 -3.474 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.203 -6.275 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.876 -6.248 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.536 -3.280 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.647 -4.401 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.934 -4.901 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.498 -5.897 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.151 -4.152 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.892 -3.634 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.082 -5.382 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.283 -4.244 -4.988 1.00 0.00 H new ATOM 364 N ARG A 28 2.701 -5.522 -1.934 1.00 0.00 N ATOM 365 CA ARG A 28 3.972 -6.050 -2.411 1.00 0.00 C ATOM 366 C ARG A 28 4.236 -7.411 -1.798 1.00 0.00 C ATOM 367 O ARG A 28 3.683 -7.774 -0.755 1.00 0.00 O ATOM 368 CB ARG A 28 5.139 -5.113 -2.094 1.00 0.00 C ATOM 369 CG ARG A 28 5.020 -3.756 -2.785 1.00 0.00 C ATOM 370 CD ARG A 28 6.386 -3.039 -2.879 1.00 0.00 C ATOM 371 NE ARG A 28 7.054 -2.944 -1.566 1.00 0.00 N ATOM 372 CZ ARG A 28 6.506 -2.338 -0.508 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.515 -1.473 -0.670 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.906 -2.610 0.727 1.00 0.00 N ATOM 0 H ARG A 28 2.781 -4.703 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 28 3.898 -6.139 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.194 -4.962 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.072 -5.588 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.611 -3.892 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.317 -3.129 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.030 -3.576 -3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.242 -2.038 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 28 7.979 -3.361 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.166 -1.266 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.101 -1.014 0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.646 -3.294 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.473 -2.135 1.519 1.00 0.00 H new ATOM 388 N ALA A 29 5.122 -8.159 -2.450 1.00 0.00 N ATOM 389 CA ALA A 29 5.418 -9.529 -2.094 1.00 0.00 C ATOM 390 C ALA A 29 6.024 -9.642 -0.699 1.00 0.00 C ATOM 391 O ALA A 29 6.682 -8.727 -0.199 1.00 0.00 O ATOM 392 CB ALA A 29 6.308 -10.139 -3.169 1.00 0.00 C ATOM 0 H ALA A 29 5.657 -7.819 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 29 4.488 -10.095 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.537 -11.173 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.791 -10.112 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.235 -9.570 -3.240 1.00 0.00 H new ATOM 398 N THR A 30 5.853 -10.816 -0.092 1.00 0.00 N ATOM 399 CA THR A 30 6.384 -11.145 1.218 1.00 0.00 C ATOM 400 C THR A 30 7.904 -10.958 1.256 1.00 0.00 C ATOM 401 O THR A 30 8.443 -10.471 2.257 1.00 0.00 O ATOM 402 CB THR A 30 6.001 -12.591 1.551 1.00 0.00 C ATOM 403 OG1 THR A 30 4.590 -12.724 1.616 1.00 0.00 O ATOM 404 CG2 THR A 30 6.619 -13.058 2.868 1.00 0.00 C ATOM 0 H THR A 30 5.326 -11.581 -0.514 1.00 0.00 H new ATOM 0 HA THR A 30 5.959 -10.473 1.964 1.00 0.00 H new ATOM 0 HB THR A 30 6.394 -13.220 0.753 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.358 -13.652 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.321 -14.088 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.705 -13.001 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.272 -12.419 3.680 1.00 0.00 H new ATOM 412 N ALA A 31 8.588 -11.380 0.192 1.00 0.00 N ATOM 413 CA ALA A 31 10.032 -11.293 0.112 1.00 0.00 C ATOM 414 C ALA A 31 10.495 -9.859 -0.086 1.00 0.00 C ATOM 415 O ALA A 31 11.619 -9.521 0.282 1.00 0.00 O ATOM 416 CB ALA A 31 10.535 -12.161 -1.029 1.00 0.00 C ATOM 0 H ALA A 31 8.150 -11.790 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 31 10.444 -11.650 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.621 -12.093 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.245 -13.197 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.100 -11.817 -1.967 1.00 0.00 H new ATOM 422 N ASP A 32 9.643 -8.992 -0.629 1.00 0.00 N ATOM 423 CA ASP A 32 10.019 -7.608 -0.837 1.00 0.00 C ATOM 424 C ASP A 32 10.135 -6.889 0.511 1.00 0.00 C ATOM 425 O ASP A 32 10.968 -5.999 0.637 1.00 0.00 O ATOM 426 CB ASP A 32 9.133 -6.943 -1.900 1.00 0.00 C ATOM 427 CG ASP A 32 9.543 -7.453 -3.282 1.00 0.00 C ATOM 428 OD1 ASP A 32 10.599 -7.037 -3.790 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.878 -8.378 -3.816 1.00 0.00 O ATOM 0 H ASP A 32 8.697 -9.227 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 32 11.017 -7.539 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.084 -7.170 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.238 -5.859 -1.853 1.00 0.00 H new ATOM 434 N PHE A 33 9.493 -7.372 1.589 1.00 0.00 N ATOM 435 CA PHE A 33 9.734 -6.858 2.945 1.00 0.00 C ATOM 436 C PHE A 33 11.079 -7.322 3.533 1.00 0.00 C ATOM 437 O PHE A 33 11.409 -6.998 4.681 1.00 0.00 O ATOM 438 CB PHE A 33 8.595 -7.269 3.882 1.00 0.00 C ATOM 439 CG PHE A 33 7.216 -6.893 3.385 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.848 -5.543 3.278 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.321 -7.888 2.962 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.590 -5.192 2.760 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.072 -7.540 2.416 1.00 0.00 C ATOM 444 CZ PHE A 33 4.707 -6.189 2.310 1.00 0.00 C ATOM 0 H PHE A 33 8.801 -8.120 1.545 1.00 0.00 H new ATOM 0 HA PHE A 33 9.774 -5.772 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.633 -8.348 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.756 -6.807 4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.534 -4.771 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.593 -8.929 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.300 -4.153 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.395 -8.311 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.752 -5.917 1.885 1.00 0.00 H new ATOM 454 N ARG A 34 11.848 -8.116 2.787 1.00 0.00 N ATOM 455 CA ARG A 34 13.166 -8.616 3.165 1.00 0.00 C ATOM 456 C ARG A 34 14.259 -7.993 2.305 1.00 0.00 C ATOM 457 O ARG A 34 15.406 -7.960 2.759 1.00 0.00 O ATOM 458 CB ARG A 34 13.204 -10.141 2.985 1.00 0.00 C ATOM 459 CG ARG A 34 11.934 -10.821 3.522 1.00 0.00 C ATOM 460 CD ARG A 34 12.020 -12.339 3.483 1.00 0.00 C ATOM 461 NE ARG A 34 10.842 -12.953 4.126 1.00 0.00 N ATOM 462 CZ ARG A 34 10.721 -14.242 4.466 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.772 -15.054 4.397 1.00 0.00 N ATOM 464 NH2 ARG A 34 9.548 -14.725 4.871 1.00 0.00 N ATOM 0 H ARG A 34 11.555 -8.440 1.865 1.00 0.00 H new ATOM 0 HA ARG A 34 13.344 -8.349 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.321 -10.377 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.076 -10.544 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.760 -10.497 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.076 -10.495 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.091 -12.676 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.928 -12.668 3.989 1.00 0.00 H new ATOM 0 HE ARG A 34 10.051 -12.342 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.674 -14.695 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.676 -16.036 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.735 -14.112 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.463 -15.708 5.129 1.00 0.00 H new ATOM 478 N GLN A 35 13.909 -7.531 1.097 1.00 0.00 N ATOM 479 CA GLN A 35 14.860 -7.067 0.092 1.00 0.00 C ATOM 480 C GLN A 35 14.665 -5.606 -0.359 1.00 0.00 C ATOM 481 O GLN A 35 15.605 -5.014 -0.883 1.00 0.00 O ATOM 482 CB GLN A 35 14.842 -8.064 -1.074 1.00 0.00 C ATOM 483 CG GLN A 35 13.941 -7.659 -2.247 1.00 0.00 C ATOM 484 CD GLN A 35 13.769 -8.746 -3.300 1.00 0.00 C ATOM 485 OE1 GLN A 35 14.415 -9.792 -3.292 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.837 -8.572 -4.218 1.00 0.00 N ATOM 0 H GLN A 35 12.938 -7.470 0.791 1.00 0.00 H new ATOM 0 HA GLN A 35 15.850 -7.042 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.860 -8.191 -1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.515 -9.034 -0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.960 -7.384 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.357 -6.770 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.294 -7.709 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.660 -9.301 -4.909 1.00 0.00 H new ATOM 495 N VAL A 36 13.475 -5.032 -0.154 1.00 0.00 N ATOM 496 CA VAL A 36 13.136 -3.621 -0.384 1.00 0.00 C ATOM 497 C VAL A 36 12.730 -2.952 0.942 1.00 0.00 C ATOM 498 O VAL A 36 13.205 -1.871 1.263 1.00 0.00 O ATOM 499 CB VAL A 36 12.034 -3.483 -1.463 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.805 -2.016 -1.864 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.350 -4.271 -2.743 1.00 0.00 C ATOM 0 H VAL A 36 12.679 -5.566 0.195 1.00 0.00 H new ATOM 0 HA VAL A 36 14.017 -3.104 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 36 11.137 -3.894 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.024 -1.964 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.499 -1.443 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.729 -1.600 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.542 -4.136 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.283 -3.907 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.449 -5.330 -2.503 1.00 0.00 H new ATOM 511 N GLY A 37 11.925 -3.597 1.794 1.00 0.00 N ATOM 512 CA GLY A 37 11.523 -3.079 3.103 1.00 0.00 C ATOM 513 C GLY A 37 10.022 -2.772 3.111 1.00 0.00 C ATOM 514 O GLY A 37 9.272 -3.338 2.309 1.00 0.00 O ATOM 0 H GLY A 37 11.527 -4.513 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.757 -3.808 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.088 -2.176 3.334 1.00 0.00 H new ATOM 518 N SER A 38 9.573 -1.902 4.017 1.00 0.00 N ATOM 519 CA SER A 38 8.173 -1.508 4.173 1.00 0.00 C ATOM 520 C SER A 38 8.035 0.003 4.399 1.00 0.00 C ATOM 521 O SER A 38 8.967 0.609 4.929 1.00 0.00 O ATOM 522 CB SER A 38 7.542 -2.294 5.339 1.00 0.00 C ATOM 523 OG SER A 38 8.475 -2.659 6.348 1.00 0.00 O ATOM 0 H SER A 38 10.192 -1.439 4.682 1.00 0.00 H new ATOM 0 HA SER A 38 7.643 -1.746 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.752 -1.692 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.072 -3.196 4.947 1.00 0.00 H new ATOM 0 HG SER A 38 8.013 -3.152 7.058 1.00 0.00 H new ATOM 529 N PRO A 39 6.878 0.616 4.087 1.00 0.00 N ATOM 530 CA PRO A 39 6.630 2.036 4.307 1.00 0.00 C ATOM 531 C PRO A 39 6.397 2.339 5.792 1.00 0.00 C ATOM 532 O PRO A 39 5.647 1.635 6.481 1.00 0.00 O ATOM 533 CB PRO A 39 5.410 2.347 3.437 1.00 0.00 C ATOM 534 CG PRO A 39 4.621 1.041 3.439 1.00 0.00 C ATOM 535 CD PRO A 39 5.727 -0.009 3.449 1.00 0.00 C ATOM 0 HA PRO A 39 7.480 2.661 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.824 3.169 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.702 2.637 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.974 0.958 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.983 0.951 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.414 -0.898 3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.970 -0.328 2.435 1.00 0.00 H new ATOM 543 N ASN A 40 7.065 3.375 6.314 1.00 0.00 N ATOM 544 CA ASN A 40 6.802 3.867 7.664 1.00 0.00 C ATOM 545 C ASN A 40 5.725 4.927 7.583 1.00 0.00 C ATOM 546 O ASN A 40 5.958 5.995 7.019 1.00 0.00 O ATOM 547 CB ASN A 40 8.029 4.446 8.382 1.00 0.00 C ATOM 548 CG ASN A 40 7.709 4.753 9.844 1.00 0.00 C ATOM 549 OD1 ASN A 40 6.587 4.554 10.304 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.685 5.138 10.637 1.00 0.00 N ATOM 0 H ASN A 40 7.793 3.888 5.817 1.00 0.00 H new ATOM 0 HA ASN A 40 6.491 3.006 8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.856 3.738 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.355 5.356 7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.510 5.271 11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.617 5.303 10.256 1.00 0.00 H new ATOM 557 N ILE A 41 4.555 4.623 8.135 1.00 0.00 N ATOM 558 CA ILE A 41 3.447 5.577 8.201 1.00 0.00 C ATOM 559 C ILE A 41 2.967 5.783 9.638 1.00 0.00 C ATOM 560 O ILE A 41 1.886 6.321 9.865 1.00 0.00 O ATOM 561 CB ILE A 41 2.329 5.156 7.226 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.821 3.711 7.424 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.833 5.346 5.789 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.295 3.638 7.285 1.00 0.00 C ATOM 0 H ILE A 41 4.346 3.714 8.548 1.00 0.00 H new ATOM 0 HA ILE A 41 3.797 6.557 7.876 1.00 0.00 H new ATOM 0 HB ILE A 41 1.470 5.794 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.288 3.054 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.117 3.350 8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.052 5.052 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.089 6.393 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.716 4.728 5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.035 2.609 7.429 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.170 4.277 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.004 3.976 6.291 1.00 0.00 H new ATOM 576 N LYS A 42 3.748 5.321 10.617 1.00 0.00 N ATOM 577 CA LYS A 42 3.335 5.272 12.006 1.00 0.00 C ATOM 578 C LYS A 42 2.910 6.642 12.495 1.00 0.00 C ATOM 579 O LYS A 42 1.876 6.730 13.138 1.00 0.00 O ATOM 580 CB LYS A 42 4.492 4.753 12.854 1.00 0.00 C ATOM 581 CG LYS A 42 4.204 4.063 14.195 1.00 0.00 C ATOM 582 CD LYS A 42 3.189 4.687 15.173 1.00 0.00 C ATOM 583 CE LYS A 42 3.442 6.126 15.668 1.00 0.00 C ATOM 584 NZ LYS A 42 4.831 6.398 16.086 1.00 0.00 N ATOM 0 H LYS A 42 4.692 4.969 10.458 1.00 0.00 H new ATOM 0 HA LYS A 42 2.480 4.602 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.055 4.050 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.151 5.597 13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.864 3.051 13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.152 3.972 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.210 4.667 14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.129 4.040 16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.173 6.822 14.873 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.778 6.329 16.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.911 7.385 16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.089 5.762 16.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.473 6.239 15.283 1.00 0.00 H new ATOM 598 N GLY A 43 3.682 7.694 12.235 1.00 0.00 N ATOM 599 CA GLY A 43 3.355 9.015 12.753 1.00 0.00 C ATOM 600 C GLY A 43 2.177 9.661 12.026 1.00 0.00 C ATOM 601 O GLY A 43 1.641 10.664 12.490 1.00 0.00 O ATOM 0 H GLY A 43 4.532 7.656 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.122 8.936 13.815 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.229 9.661 12.665 1.00 0.00 H new ATOM 605 N LEU A 44 1.732 9.093 10.900 1.00 0.00 N ATOM 606 CA LEU A 44 0.451 9.447 10.295 1.00 0.00 C ATOM 607 C LEU A 44 -0.687 8.826 11.114 1.00 0.00 C ATOM 608 O LEU A 44 -1.820 9.293 11.015 1.00 0.00 O ATOM 609 CB LEU A 44 0.361 8.988 8.827 1.00 0.00 C ATOM 610 CG LEU A 44 1.633 9.203 7.982 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.393 8.731 6.551 1.00 0.00 C ATOM 612 CD2 LEU A 44 2.116 10.655 7.937 1.00 0.00 C ATOM 0 H LEU A 44 2.249 8.379 10.387 1.00 0.00 H new ATOM 0 HA LEU A 44 0.363 10.533 10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.111 7.927 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.464 9.517 8.350 1.00 0.00 H new ATOM 0 HG LEU A 44 2.412 8.619 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.296 8.886 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.140 7.671 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.571 9.298 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.014 10.721 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.336 11.285 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.342 10.995 8.948 1.00 0.00 H new ATOM 624 N GLY A 45 -0.397 7.795 11.911 1.00 0.00 N ATOM 625 CA GLY A 45 -1.224 7.275 12.985 1.00 0.00 C ATOM 626 C GLY A 45 -0.896 5.824 13.354 1.00 0.00 C ATOM 627 O GLY A 45 -1.152 5.408 14.484 1.00 0.00 O ATOM 0 H GLY A 45 0.475 7.275 11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.100 7.904 13.867 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.272 7.340 12.692 1.00 0.00 H new ATOM 631 N LYS A 46 -0.411 5.001 12.417 1.00 0.00 N ATOM 632 CA LYS A 46 -0.365 3.542 12.564 1.00 0.00 C ATOM 633 C LYS A 46 0.442 2.938 11.424 1.00 0.00 C ATOM 634 O LYS A 46 0.804 3.639 10.484 1.00 0.00 O ATOM 635 CB LYS A 46 -1.785 2.923 12.631 1.00 0.00 C ATOM 636 CG LYS A 46 -2.900 3.575 11.796 1.00 0.00 C ATOM 637 CD LYS A 46 -2.594 3.748 10.301 1.00 0.00 C ATOM 638 CE LYS A 46 -3.847 4.135 9.507 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.475 5.404 9.934 1.00 0.00 N ATOM 0 H LYS A 46 -0.036 5.332 11.528 1.00 0.00 H new ATOM 0 HA LYS A 46 0.124 3.309 13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.708 1.879 12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.102 2.929 13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.804 2.974 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.121 4.555 12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.830 4.515 10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.184 2.820 9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.584 4.211 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.580 3.333 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.054 5.783 9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.078 5.231 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.735 6.092 10.181 1.00 0.00 H new ATOM 653 N LYS A 47 0.774 1.655 11.502 1.00 0.00 N ATOM 654 CA LYS A 47 1.558 0.960 10.493 1.00 0.00 C ATOM 655 C LYS A 47 0.646 0.525 9.348 1.00 0.00 C ATOM 656 O LYS A 47 -0.548 0.289 9.557 1.00 0.00 O ATOM 657 CB LYS A 47 2.220 -0.265 11.131 1.00 0.00 C ATOM 658 CG LYS A 47 3.631 -0.490 10.583 1.00 0.00 C ATOM 659 CD LYS A 47 4.710 0.303 11.318 1.00 0.00 C ATOM 660 CE LYS A 47 4.964 1.739 10.914 1.00 0.00 C ATOM 661 NZ LYS A 47 6.259 2.153 11.502 1.00 0.00 N ATOM 0 H LYS A 47 0.500 1.059 12.283 1.00 0.00 H new ATOM 0 HA LYS A 47 2.328 1.624 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.265 -0.134 12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.610 -1.149 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.869 -1.552 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.649 -0.218 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.458 0.299 12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.649 -0.240 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.991 1.831 9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.160 2.384 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.493 3.115 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.190 2.138 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.005 1.497 11.195 1.00 0.00 H new ATOM 675 N ALA A 48 1.230 0.329 8.164 1.00 0.00 N ATOM 676 CA ALA A 48 0.546 -0.275 7.030 1.00 0.00 C ATOM 677 C ALA A 48 0.119 -1.705 7.367 1.00 0.00 C ATOM 678 O ALA A 48 0.756 -2.375 8.192 1.00 0.00 O ATOM 679 CB ALA A 48 1.490 -0.282 5.823 1.00 0.00 C ATOM 0 H ALA A 48 2.197 0.588 7.969 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.347 0.305 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.985 -0.733 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.774 0.741 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.383 -0.859 6.063 1.00 0.00 H new ATOM 685 N VAL A 49 -0.937 -2.187 6.720 1.00 0.00 N ATOM 686 CA VAL A 49 -1.232 -3.612 6.632 1.00 0.00 C ATOM 687 C VAL A 49 -0.401 -4.157 5.463 1.00 0.00 C ATOM 688 O VAL A 49 -0.086 -3.417 4.532 1.00 0.00 O ATOM 689 CB VAL A 49 -2.749 -3.797 6.418 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.151 -5.273 6.241 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.564 -3.233 7.594 1.00 0.00 C ATOM 0 H VAL A 49 -1.616 -1.596 6.239 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.973 -4.155 7.541 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.972 -3.249 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.229 -5.341 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.639 -5.688 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.870 -5.836 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.627 -3.383 7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.283 -3.749 8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.361 -2.167 7.700 1.00 0.00 H new ATOM 701 N SER A 50 -0.079 -5.450 5.486 1.00 0.00 N ATOM 702 CA SER A 50 0.655 -6.140 4.438 1.00 0.00 C ATOM 703 C SER A 50 -0.146 -7.372 4.026 1.00 0.00 C ATOM 704 O SER A 50 -0.488 -8.199 4.880 1.00 0.00 O ATOM 705 CB SER A 50 2.060 -6.479 4.955 1.00 0.00 C ATOM 706 OG SER A 50 2.036 -7.058 6.258 1.00 0.00 O ATOM 0 H SER A 50 -0.332 -6.062 6.262 1.00 0.00 H new ATOM 0 HA SER A 50 0.784 -5.518 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.542 -7.169 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.665 -5.573 4.974 1.00 0.00 H new ATOM 0 HG SER A 50 1.249 -7.635 6.345 1.00 0.00 H new ATOM 712 N THR A 51 -0.509 -7.512 2.755 1.00 0.00 N ATOM 713 CA THR A 51 -1.142 -8.704 2.202 1.00 0.00 C ATOM 714 C THR A 51 -0.834 -8.701 0.710 1.00 0.00 C ATOM 715 O THR A 51 -1.415 -7.894 -0.009 1.00 0.00 O ATOM 716 CB THR A 51 -2.665 -8.683 2.451 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.940 -8.688 3.838 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.364 -9.904 1.841 1.00 0.00 C ATOM 0 H THR A 51 -0.367 -6.778 2.061 1.00 0.00 H new ATOM 0 HA THR A 51 -0.762 -9.608 2.678 1.00 0.00 H new ATOM 0 HB THR A 51 -3.041 -7.775 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.102 -8.600 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.434 -9.848 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.196 -9.919 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.960 -10.814 2.284 1.00 0.00 H new ATOM 726 N VAL A 52 0.053 -9.585 0.244 1.00 0.00 N ATOM 727 CA VAL A 52 0.376 -9.681 -1.175 1.00 0.00 C ATOM 728 C VAL A 52 -0.922 -9.925 -1.951 1.00 0.00 C ATOM 729 O VAL A 52 -1.643 -10.893 -1.666 1.00 0.00 O ATOM 730 CB VAL A 52 1.412 -10.787 -1.471 1.00 0.00 C ATOM 731 CG1 VAL A 52 2.070 -10.539 -2.834 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.478 -10.966 -0.378 1.00 0.00 C ATOM 0 H VAL A 52 0.560 -10.245 0.834 1.00 0.00 H new ATOM 0 HA VAL A 52 0.836 -8.745 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 52 0.856 -11.724 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.799 -11.324 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.307 -10.545 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.572 -9.571 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.164 -11.762 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.032 -10.036 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.994 -11.227 0.563 1.00 0.00 H new ATOM 742 N TYR A 53 -1.244 -9.046 -2.904 1.00 0.00 N ATOM 743 CA TYR A 53 -2.344 -9.329 -3.811 1.00 0.00 C ATOM 744 C TYR A 53 -1.973 -10.553 -4.648 1.00 0.00 C ATOM 745 O TYR A 53 -0.804 -10.827 -4.931 1.00 0.00 O ATOM 746 CB TYR A 53 -2.733 -8.104 -4.659 1.00 0.00 C ATOM 747 CG TYR A 53 -3.926 -8.336 -5.580 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.121 -8.872 -5.065 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.863 -7.991 -6.945 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.219 -9.107 -5.906 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.952 -8.252 -7.803 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.136 -8.821 -7.282 1.00 0.00 C ATOM 753 OH TYR A 53 -7.226 -9.063 -8.065 1.00 0.00 O ATOM 0 H TYR A 53 -0.769 -8.157 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.244 -9.557 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.959 -7.272 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.875 -7.806 -5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.193 -9.105 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.973 -7.522 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.133 -9.510 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.881 -8.018 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.024 -8.817 -8.992 1.00 0.00 H new ATOM 763 N ASN A 54 -2.982 -11.335 -5.005 1.00 0.00 N ATOM 764 CA ASN A 54 -2.860 -12.385 -6.004 1.00 0.00 C ATOM 765 C ASN A 54 -4.206 -12.475 -6.686 1.00 0.00 C ATOM 766 O ASN A 54 -5.200 -12.778 -6.033 1.00 0.00 O ATOM 767 CB ASN A 54 -2.387 -13.739 -5.440 1.00 0.00 C ATOM 768 CG ASN A 54 -3.281 -14.376 -4.388 1.00 0.00 C ATOM 769 OD1 ASN A 54 -4.056 -15.287 -4.667 1.00 0.00 O ATOM 770 ND2 ASN A 54 -3.108 -13.996 -3.130 1.00 0.00 N ATOM 0 H ASN A 54 -3.917 -11.257 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.073 -12.130 -6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.282 -14.438 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.395 -13.603 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.621 -14.461 -2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.462 -13.238 -2.910 1.00 0.00 H new ATOM 777 N GLY A 55 -4.262 -12.160 -7.979 1.00 0.00 N ATOM 778 CA GLY A 55 -5.527 -12.087 -8.704 1.00 0.00 C ATOM 779 C GLY A 55 -6.237 -13.436 -8.817 1.00 0.00 C ATOM 780 O GLY A 55 -7.419 -13.466 -9.157 1.00 0.00 O ATOM 0 H GLY A 55 -3.441 -11.951 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.186 -11.378 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.342 -11.696 -9.705 1.00 0.00 H new ATOM 784 N GLU A 56 -5.538 -14.536 -8.537 1.00 0.00 N ATOM 785 CA GLU A 56 -6.028 -15.897 -8.630 1.00 0.00 C ATOM 786 C GLU A 56 -7.265 -16.114 -7.757 1.00 0.00 C ATOM 787 O GLU A 56 -8.304 -16.541 -8.271 1.00 0.00 O ATOM 788 CB GLU A 56 -4.881 -16.839 -8.247 1.00 0.00 C ATOM 789 CG GLU A 56 -5.344 -18.298 -8.161 1.00 0.00 C ATOM 790 CD GLU A 56 -4.174 -19.276 -8.126 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.101 -18.955 -7.583 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.363 -20.406 -8.644 1.00 0.00 O ATOM 0 H GLU A 56 -4.568 -14.492 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.348 -16.108 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.081 -16.755 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.465 -16.533 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.953 -18.431 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.980 -18.526 -9.017 1.00 0.00 H new ATOM 799 N ASP A 57 -7.150 -15.878 -6.447 1.00 0.00 N ATOM 800 CA ASP A 57 -8.183 -16.215 -5.474 1.00 0.00 C ATOM 801 C ASP A 57 -8.708 -14.932 -4.851 1.00 0.00 C ATOM 802 O ASP A 57 -8.126 -14.375 -3.916 1.00 0.00 O ATOM 803 CB ASP A 57 -7.681 -17.226 -4.438 1.00 0.00 C ATOM 804 CG ASP A 57 -8.796 -17.748 -3.531 1.00 0.00 C ATOM 805 OD1 ASP A 57 -9.961 -17.307 -3.650 1.00 0.00 O ATOM 806 OD2 ASP A 57 -8.506 -18.621 -2.685 1.00 0.00 O ATOM 0 H ASP A 57 -6.326 -15.443 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.012 -16.714 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.215 -18.066 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.909 -16.759 -3.826 1.00 0.00 H new ATOM 811 N LYS A 58 -9.769 -14.399 -5.448 1.00 0.00 N ATOM 812 CA LYS A 58 -10.417 -13.160 -5.035 1.00 0.00 C ATOM 813 C LYS A 58 -10.874 -13.187 -3.569 1.00 0.00 C ATOM 814 O LYS A 58 -10.414 -12.335 -2.797 1.00 0.00 O ATOM 815 CB LYS A 58 -11.523 -12.799 -6.035 1.00 0.00 C ATOM 816 CG LYS A 58 -10.973 -12.290 -7.380 1.00 0.00 C ATOM 817 CD LYS A 58 -10.536 -10.818 -7.311 1.00 0.00 C ATOM 818 CE LYS A 58 -10.318 -10.188 -8.691 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.547 -10.160 -9.515 1.00 0.00 N ATOM 0 H LYS A 58 -10.215 -14.831 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.684 -12.353 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.146 -13.676 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.165 -12.034 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.124 -12.905 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.737 -12.404 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.292 -10.246 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.613 -10.746 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.948 -9.170 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.545 -10.745 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.419 -9.497 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.737 -11.112 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.350 -9.851 -8.931 1.00 0.00 H new ATOM 833 N PRO A 59 -11.714 -14.140 -3.131 1.00 0.00 N ATOM 834 CA PRO A 59 -12.060 -14.270 -1.725 1.00 0.00 C ATOM 835 C PRO A 59 -10.814 -14.585 -0.892 1.00 0.00 C ATOM 836 O PRO A 59 -10.654 -13.989 0.180 1.00 0.00 O ATOM 837 CB PRO A 59 -13.124 -15.364 -1.647 1.00 0.00 C ATOM 838 CG PRO A 59 -12.957 -16.163 -2.935 1.00 0.00 C ATOM 839 CD PRO A 59 -12.327 -15.189 -3.920 1.00 0.00 C ATOM 0 HA PRO A 59 -12.456 -13.343 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.980 -15.994 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.125 -14.938 -1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.321 -17.035 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.916 -16.529 -3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.585 -15.691 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.079 -14.778 -4.593 1.00 0.00 H new ATOM 847 N GLY A 60 -9.896 -15.419 -1.397 1.00 0.00 N ATOM 848 CA GLY A 60 -8.598 -15.763 -0.813 1.00 0.00 C ATOM 849 C GLY A 60 -7.592 -14.618 -0.762 1.00 0.00 C ATOM 850 O GLY A 60 -6.383 -14.853 -0.724 1.00 0.00 O ATOM 0 H GLY A 60 -10.053 -15.902 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.758 -16.132 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.164 -16.583 -1.386 1.00 0.00 H new ATOM 854 N PHE A 61 -8.060 -13.379 -0.702 1.00 0.00 N ATOM 855 CA PHE A 61 -7.255 -12.204 -0.446 1.00 0.00 C ATOM 856 C PHE A 61 -8.005 -11.290 0.512 1.00 0.00 C ATOM 857 O PHE A 61 -7.480 -10.935 1.568 1.00 0.00 O ATOM 858 CB PHE A 61 -6.942 -11.540 -1.781 1.00 0.00 C ATOM 859 CG PHE A 61 -6.425 -10.128 -1.682 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.097 -9.880 -1.299 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.277 -9.060 -2.012 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.614 -8.562 -1.283 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.794 -7.743 -1.993 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.453 -7.500 -1.651 1.00 0.00 C ATOM 0 H PHE A 61 -9.048 -13.162 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.307 -12.456 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.204 -12.146 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.846 -11.539 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.451 -10.699 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.305 -9.253 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.594 -8.365 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.449 -6.921 -2.240 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.067 -6.492 -1.672 1.00 0.00 H new ATOM 874 N LEU A 62 -9.283 -11.015 0.232 1.00 0.00 N ATOM 875 CA LEU A 62 -10.149 -10.227 1.117 1.00 0.00 C ATOM 876 C LEU A 62 -10.226 -10.833 2.531 1.00 0.00 C ATOM 877 O LEU A 62 -10.511 -10.127 3.501 1.00 0.00 O ATOM 878 CB LEU A 62 -11.551 -10.089 0.504 1.00 0.00 C ATOM 879 CG LEU A 62 -11.566 -9.335 -0.843 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.899 -9.574 -1.556 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.336 -7.827 -0.680 1.00 0.00 C ATOM 0 H LEU A 62 -9.748 -11.334 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.709 -9.235 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.974 -11.083 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.197 -9.567 1.210 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.741 -9.727 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.904 -9.040 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -13.028 -10.641 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.716 -9.212 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.357 -7.348 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.121 -7.405 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.366 -7.655 -0.212 1.00 0.00 H new ATOM 893 N LYS A 63 -9.923 -12.132 2.678 1.00 0.00 N ATOM 894 CA LYS A 63 -9.865 -12.849 3.946 1.00 0.00 C ATOM 895 C LYS A 63 -8.774 -12.331 4.869 1.00 0.00 C ATOM 896 O LYS A 63 -8.745 -12.715 6.034 1.00 0.00 O ATOM 897 CB LYS A 63 -9.759 -14.366 3.714 1.00 0.00 C ATOM 898 CG LYS A 63 -8.680 -14.853 2.737 1.00 0.00 C ATOM 899 CD LYS A 63 -7.261 -14.556 3.210 1.00 0.00 C ATOM 900 CE LYS A 63 -6.208 -15.373 2.454 1.00 0.00 C ATOM 901 NZ LYS A 63 -6.182 -16.799 2.824 1.00 0.00 N ATOM 0 H LYS A 63 -9.704 -12.729 1.880 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.804 -12.656 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.582 -14.843 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.725 -14.721 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.790 -15.928 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.838 -14.382 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.053 -13.494 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.185 -14.769 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.396 -15.289 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.225 -14.941 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.382 -17.266 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.074 -16.888 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.071 -17.251 2.528 1.00 0.00 H new ATOM 915 N LYS A 64 -7.875 -11.478 4.382 1.00 0.00 N ATOM 916 CA LYS A 64 -6.861 -10.842 5.196 1.00 0.00 C ATOM 917 C LYS A 64 -7.283 -9.449 5.613 1.00 0.00 C ATOM 918 O LYS A 64 -6.849 -8.996 6.664 1.00 0.00 O ATOM 919 CB LYS A 64 -5.545 -10.784 4.426 1.00 0.00 C ATOM 920 CG LYS A 64 -4.720 -12.065 4.616 1.00 0.00 C ATOM 921 CD LYS A 64 -3.532 -11.777 5.551 1.00 0.00 C ATOM 922 CE LYS A 64 -2.768 -13.047 5.926 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.773 -12.815 6.998 1.00 0.00 N ATOM 0 H LYS A 64 -7.836 -11.211 3.398 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.728 -11.435 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.750 -10.637 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.965 -9.924 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.344 -12.853 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.359 -12.424 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.852 -11.077 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.895 -11.293 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.475 -13.810 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.262 -13.437 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.283 -13.706 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.080 -12.107 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.256 -12.469 7.851 1.00 0.00 H new ATOM 937 N LEU A 65 -8.106 -8.754 4.827 1.00 0.00 N ATOM 938 CA LEU A 65 -8.557 -7.425 5.208 1.00 0.00 C ATOM 939 C LEU A 65 -9.611 -7.543 6.302 1.00 0.00 C ATOM 940 O LEU A 65 -9.566 -6.774 7.255 1.00 0.00 O ATOM 941 CB LEU A 65 -9.079 -6.629 4.001 1.00 0.00 C ATOM 942 CG LEU A 65 -7.952 -6.144 3.061 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.526 -7.179 2.009 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.407 -4.866 2.352 1.00 0.00 C ATOM 0 H LEU A 65 -8.468 -9.088 3.934 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.706 -6.866 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.773 -7.251 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.642 -5.767 4.358 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.080 -5.966 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.732 -6.762 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.163 -8.077 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.380 -7.433 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.617 -4.518 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.306 -5.073 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.623 -4.096 3.093 1.00 0.00 H new ATOM 956 N SER A 66 -10.492 -8.545 6.230 1.00 0.00 N ATOM 957 CA SER A 66 -11.635 -8.676 7.130 1.00 0.00 C ATOM 958 C SER A 66 -11.291 -8.805 8.617 1.00 0.00 C ATOM 959 O SER A 66 -12.217 -8.756 9.421 1.00 0.00 O ATOM 960 CB SER A 66 -12.427 -9.921 6.721 1.00 0.00 C ATOM 961 OG SER A 66 -13.714 -9.969 7.305 1.00 0.00 O ATOM 0 H SER A 66 -10.429 -9.293 5.539 1.00 0.00 H new ATOM 0 HA SER A 66 -12.198 -7.748 7.029 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.525 -9.943 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.869 -10.812 7.009 1.00 0.00 H new ATOM 0 HG SER A 66 -13.672 -9.618 8.219 1.00 0.00 H new ATOM 967 N LEU A 67 -10.024 -9.030 8.982 1.00 0.00 N ATOM 968 CA LEU A 67 -9.566 -9.135 10.364 1.00 0.00 C ATOM 969 C LEU A 67 -8.433 -8.151 10.678 1.00 0.00 C ATOM 970 O LEU A 67 -7.762 -8.295 11.700 1.00 0.00 O ATOM 971 CB LEU A 67 -9.233 -10.588 10.752 1.00 0.00 C ATOM 972 CG LEU A 67 -7.918 -11.193 10.230 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.628 -12.518 10.943 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.001 -11.460 8.730 1.00 0.00 C ATOM 0 H LEU A 67 -9.272 -9.147 8.303 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.399 -8.837 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.219 -10.648 11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.051 -11.221 10.408 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.121 -10.477 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.695 -12.937 10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.540 -12.343 12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.442 -13.218 10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.060 -11.887 8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.813 -12.159 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.190 -10.524 8.204 1.00 0.00 H new ATOM 986 N LYS A 68 -8.154 -7.194 9.789 1.00 0.00 N ATOM 987 CA LYS A 68 -7.044 -6.255 9.896 1.00 0.00 C ATOM 988 C LYS A 68 -7.477 -4.816 10.162 1.00 0.00 C ATOM 989 O LYS A 68 -6.608 -4.014 10.493 1.00 0.00 O ATOM 990 CB LYS A 68 -6.205 -6.333 8.608 1.00 0.00 C ATOM 991 CG LYS A 68 -4.921 -7.166 8.727 1.00 0.00 C ATOM 992 CD LYS A 68 -5.063 -8.563 9.354 1.00 0.00 C ATOM 993 CE LYS A 68 -3.788 -9.358 9.052 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.777 -10.704 9.660 1.00 0.00 N ATOM 0 H LYS A 68 -8.715 -7.050 8.949 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.454 -6.548 10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.822 -6.753 7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.938 -5.321 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.496 -7.282 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.201 -6.599 9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.214 -8.482 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.935 -9.075 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.676 -9.455 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.925 -8.798 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.889 -11.187 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.854 -10.619 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.581 -11.255 9.298 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.749 -4.448 10.004 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.200 -3.054 10.119 1.00 0.00 C ATOM 1010 C PHE A 69 -10.348 -2.939 11.127 1.00 0.00 C ATOM 1011 O PHE A 69 -10.979 -3.943 11.458 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.634 -2.520 8.745 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.601 -2.494 7.642 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.178 -3.683 7.019 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.150 -1.258 7.152 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.280 -3.644 5.942 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.286 -1.218 6.048 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.848 -2.406 5.449 1.00 0.00 C ATOM 0 H PHE A 69 -9.499 -5.106 9.792 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.368 -2.450 10.480 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.475 -3.122 8.402 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.004 -1.504 8.882 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.548 -4.634 7.373 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.468 -0.340 7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.924 -4.561 5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.957 -0.266 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.175 -2.367 4.605 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.663 -1.730 11.602 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.795 -1.522 12.505 1.00 0.00 C ATOM 1030 C LYS A 70 -13.025 -1.126 11.711 1.00 0.00 C ATOM 1031 O LYS A 70 -13.989 -1.878 11.671 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.458 -0.481 13.578 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.533 -0.463 14.669 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.369 0.765 15.567 1.00 0.00 C ATOM 1035 CE LYS A 70 -13.179 1.934 15.006 1.00 0.00 C ATOM 1036 NZ LYS A 70 -13.048 3.146 15.834 1.00 0.00 N ATOM 0 H LYS A 70 -10.147 -0.880 11.374 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.009 -2.458 13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.488 -0.707 14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.378 0.506 13.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.523 -0.456 14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.465 -1.371 15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.702 0.533 16.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.316 1.040 15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.846 2.151 13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.229 1.650 14.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.613 3.914 15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.389 2.948 16.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.049 3.433 15.873 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.972 0.036 11.070 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.096 0.717 10.429 1.00 0.00 C ATOM 1052 C ASP A 71 -13.856 0.785 8.913 1.00 0.00 C ATOM 1053 O ASP A 71 -13.512 1.844 8.383 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.200 2.088 11.113 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.244 3.049 10.550 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.161 2.608 9.822 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.140 4.252 10.874 1.00 0.00 O ATOM 0 H ASP A 71 -12.100 0.557 10.977 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.046 0.195 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.417 1.928 12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.225 2.572 11.058 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.880 -0.355 8.188 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.511 -0.390 6.776 1.00 0.00 C ATOM 1064 C PRO A 72 -14.534 0.349 5.907 1.00 0.00 C ATOM 1065 O PRO A 72 -14.133 1.030 4.962 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.409 -1.874 6.419 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.363 -2.557 7.376 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.252 -1.694 8.635 1.00 0.00 C ATOM 0 HA PRO A 72 -12.567 0.123 6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.690 -2.053 5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.391 -2.243 6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.381 -2.577 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.074 -3.591 7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.198 -1.674 9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.503 -2.097 9.317 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.821 0.282 6.261 1.00 0.00 N ATOM 1077 CA GLU A 73 -16.930 0.956 5.587 1.00 0.00 C ATOM 1078 C GLU A 73 -16.760 2.476 5.500 1.00 0.00 C ATOM 1079 O GLU A 73 -17.453 3.092 4.696 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.265 0.633 6.285 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.204 0.901 7.798 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.558 1.246 8.416 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.139 2.307 8.073 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.039 0.508 9.302 1.00 0.00 O ATOM 0 H GLU A 73 -16.130 -0.269 7.062 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.933 0.573 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.060 1.233 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.521 -0.412 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.800 0.021 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.510 1.720 7.985 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.843 3.087 6.266 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.592 4.533 6.252 1.00 0.00 C ATOM 1093 C ASN A 74 -14.116 4.886 6.078 1.00 0.00 C ATOM 1094 O ASN A 74 -13.802 6.032 5.762 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.102 5.177 7.541 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.609 5.067 7.680 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.353 5.810 7.047 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.093 4.178 8.530 1.00 0.00 N ATOM 0 H ASN A 74 -15.247 2.581 6.922 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.131 4.922 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.624 4.700 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.813 6.228 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.101 4.101 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.459 3.569 9.047 1.00 0.00 H new ATOM 1105 N THR A 75 -13.203 3.947 6.308 1.00 0.00 N ATOM 1106 CA THR A 75 -11.770 4.143 6.145 1.00 0.00 C ATOM 1107 C THR A 75 -11.426 4.230 4.666 1.00 0.00 C ATOM 1108 O THR A 75 -11.648 3.263 3.942 1.00 0.00 O ATOM 1109 CB THR A 75 -11.066 2.958 6.807 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.093 3.179 8.202 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.631 2.725 6.327 1.00 0.00 C ATOM 0 H THR A 75 -13.447 3.007 6.620 1.00 0.00 H new ATOM 0 HA THR A 75 -11.445 5.073 6.611 1.00 0.00 H new ATOM 0 HB THR A 75 -11.599 2.050 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.907 2.785 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.208 1.866 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.633 2.534 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.029 3.609 6.537 1.00 0.00 H new ATOM 1119 N THR A 76 -10.827 5.326 4.216 1.00 0.00 N ATOM 1120 CA THR A 76 -10.306 5.447 2.857 1.00 0.00 C ATOM 1121 C THR A 76 -8.962 4.709 2.770 1.00 0.00 C ATOM 1122 O THR A 76 -7.980 5.121 3.389 1.00 0.00 O ATOM 1123 CB THR A 76 -10.206 6.929 2.477 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.487 7.531 2.548 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.752 7.127 1.030 1.00 0.00 C ATOM 0 H THR A 76 -10.688 6.161 4.785 1.00 0.00 H new ATOM 0 HA THR A 76 -10.978 4.982 2.136 1.00 0.00 H new ATOM 0 HB THR A 76 -9.488 7.369 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.417 8.478 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.697 8.193 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.769 6.676 0.892 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.466 6.653 0.357 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.904 3.574 2.066 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.666 2.810 1.919 1.00 0.00 C ATOM 1135 C LEU A 77 -6.807 3.377 0.793 1.00 0.00 C ATOM 1136 O LEU A 77 -7.328 3.941 -0.173 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.984 1.327 1.638 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.342 0.347 2.634 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.680 -1.102 2.251 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.821 0.493 2.686 1.00 0.00 C ATOM 0 H LEU A 77 -9.706 3.164 1.587 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.108 2.887 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.065 1.189 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.647 1.079 0.632 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.749 0.586 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.219 -1.784 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.761 -1.239 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.300 -1.312 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.411 -0.219 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.403 0.296 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.563 1.506 2.994 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.508 3.092 0.846 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.503 3.413 -0.153 1.00 0.00 C ATOM 1154 C TYR A 78 -3.661 2.155 -0.355 1.00 0.00 C ATOM 1155 O TYR A 78 -2.816 1.849 0.484 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.651 4.593 0.348 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.403 5.908 0.420 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.332 6.147 1.451 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.231 6.863 -0.595 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.166 7.270 1.415 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.024 8.022 -0.605 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.049 8.185 0.353 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.958 9.186 0.230 1.00 0.00 O ATOM 0 H TYR A 78 -5.107 2.598 1.643 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.948 3.713 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.263 4.353 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.791 4.713 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.402 5.456 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.491 6.707 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.894 7.433 2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.850 8.789 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.523 9.020 -0.554 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.863 1.399 -1.435 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.972 0.271 -1.738 1.00 0.00 C ATOM 1175 C ILE A 79 -1.545 0.783 -2.015 1.00 0.00 C ATOM 1176 O ILE A 79 -1.390 1.973 -2.299 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.634 -0.536 -2.875 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.884 -1.212 -2.247 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.763 -1.621 -3.512 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.163 -0.858 -2.984 1.00 0.00 C ATOM 0 H ILE A 79 -4.619 1.540 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.842 -0.412 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.851 0.159 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.751 -2.294 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.973 -0.908 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.326 -2.125 -4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.870 -1.166 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.472 -2.346 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.007 -1.355 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.313 0.221 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.088 -1.186 -4.021 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.522 -0.080 -2.028 1.00 0.00 N ATOM 1193 CA LEU A 80 0.843 0.222 -2.476 1.00 0.00 C ATOM 1194 C LEU A 80 1.437 -1.050 -3.102 1.00 0.00 C ATOM 1195 O LEU A 80 1.434 -2.084 -2.436 1.00 0.00 O ATOM 1196 CB LEU A 80 1.677 0.691 -1.264 1.00 0.00 C ATOM 1197 CG LEU A 80 2.886 1.588 -1.593 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.717 1.798 -0.327 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.806 1.075 -2.692 1.00 0.00 C ATOM 0 H LEU A 80 -0.626 -1.045 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 80 0.847 1.018 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.021 1.232 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.035 -0.189 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 80 2.455 2.515 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.574 2.432 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.103 2.278 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.067 0.834 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.622 1.782 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.213 0.106 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.242 0.969 -3.619 1.00 0.00 H new ATOM 1211 N ASP A 81 1.912 -1.001 -4.352 1.00 0.00 N ATOM 1212 CA ASP A 81 2.510 -2.129 -5.090 1.00 0.00 C ATOM 1213 C ASP A 81 4.019 -1.917 -5.350 1.00 0.00 C ATOM 1214 O ASP A 81 4.615 -0.976 -4.834 1.00 0.00 O ATOM 1215 CB ASP A 81 1.699 -2.439 -6.369 1.00 0.00 C ATOM 1216 CG ASP A 81 2.428 -2.074 -7.659 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.492 -0.876 -7.980 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.022 -3.010 -8.255 1.00 0.00 O ATOM 0 H ASP A 81 1.891 -0.142 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 81 2.452 -3.018 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.457 -3.502 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.754 -1.897 -6.330 1.00 0.00 H new ATOM 1223 N LYS A 82 4.675 -2.849 -6.051 1.00 0.00 N ATOM 1224 CA LYS A 82 6.051 -2.773 -6.537 1.00 0.00 C ATOM 1225 C LYS A 82 6.210 -1.610 -7.522 1.00 0.00 C ATOM 1226 O LYS A 82 7.072 -0.777 -7.265 1.00 0.00 O ATOM 1227 CB LYS A 82 6.447 -4.114 -7.200 1.00 0.00 C ATOM 1228 CG LYS A 82 6.327 -5.366 -6.311 1.00 0.00 C ATOM 1229 CD LYS A 82 7.608 -5.792 -5.587 1.00 0.00 C ATOM 1230 CE LYS A 82 8.670 -6.393 -6.516 1.00 0.00 C ATOM 1231 NZ LYS A 82 8.275 -7.676 -7.136 1.00 0.00 N ATOM 0 H LYS A 82 4.229 -3.729 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 82 6.716 -2.591 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.824 -4.258 -8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.478 -4.035 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.553 -5.187 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.988 -6.197 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.032 -4.927 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.355 -6.522 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.895 -5.675 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.589 -6.543 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.079 -8.068 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.990 -8.347 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.477 -7.517 -7.784 1.00 0.00 H new ATOM 1245 N PHE A 83 5.504 -1.592 -8.658 1.00 0.00 N ATOM 1246 CA PHE A 83 5.835 -0.726 -9.796 1.00 0.00 C ATOM 1247 C PHE A 83 4.606 -0.403 -10.656 1.00 0.00 C ATOM 1248 O PHE A 83 4.416 0.745 -11.044 1.00 0.00 O ATOM 1249 CB PHE A 83 6.913 -1.434 -10.640 1.00 0.00 C ATOM 1250 CG PHE A 83 7.464 -0.658 -11.826 1.00 0.00 C ATOM 1251 CD1 PHE A 83 6.730 -0.588 -13.024 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.733 -0.055 -11.765 1.00 0.00 C ATOM 1253 CE1 PHE A 83 7.232 0.105 -14.137 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.250 0.623 -12.886 1.00 0.00 C ATOM 1255 CZ PHE A 83 8.497 0.712 -14.070 1.00 0.00 C ATOM 0 H PHE A 83 4.685 -2.179 -8.815 1.00 0.00 H new ATOM 0 HA PHE A 83 6.206 0.227 -9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.745 -1.691 -9.984 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.496 -2.371 -11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.768 -1.074 -13.088 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.313 -0.112 -10.856 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.647 0.171 -15.042 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.229 1.076 -12.836 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.889 1.244 -14.924 1.00 0.00 H new ATOM 1265 N ASP A 84 3.797 -1.405 -11.007 1.00 0.00 N ATOM 1266 CA ASP A 84 2.508 -1.234 -11.685 1.00 0.00 C ATOM 1267 C ASP A 84 1.541 -2.180 -10.997 1.00 0.00 C ATOM 1268 O ASP A 84 0.487 -1.772 -10.513 1.00 0.00 O ATOM 1269 CB ASP A 84 2.515 -1.623 -13.170 1.00 0.00 C ATOM 1270 CG ASP A 84 3.155 -0.652 -14.146 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.612 0.456 -14.371 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.093 -1.072 -14.846 1.00 0.00 O ATOM 0 H ASP A 84 4.025 -2.382 -10.824 1.00 0.00 H new ATOM 0 HA ASP A 84 2.246 -0.177 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.027 -2.581 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.482 -1.781 -13.481 1.00 0.00 H new ATOM 1277 N GLY A 85 1.921 -3.462 -10.965 1.00 0.00 N ATOM 1278 CA GLY A 85 1.228 -4.550 -10.306 1.00 0.00 C ATOM 1279 C GLY A 85 -0.240 -4.544 -10.670 1.00 0.00 C ATOM 1280 O GLY A 85 -0.589 -4.757 -11.832 1.00 0.00 O ATOM 0 H GLY A 85 2.773 -3.776 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.676 -5.501 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.341 -4.459 -9.226 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.098 -4.333 -9.674 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.543 -4.243 -9.851 1.00 0.00 C ATOM 1286 C ASN A 86 -3.118 -3.272 -8.816 1.00 0.00 C ATOM 1287 O ASN A 86 -4.253 -3.441 -8.386 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.196 -5.624 -9.691 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.553 -6.737 -10.490 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.829 -7.559 -9.928 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -2.809 -6.816 -11.785 1.00 0.00 N ATOM 0 H ASN A 86 -0.802 -4.218 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.755 -3.879 -10.856 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.176 -5.898 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.244 -5.549 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.404 -7.570 -12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.412 -6.123 -12.229 1.00 0.00 H new ATOM 1298 N SER A 87 -2.321 -2.330 -8.314 1.00 0.00 N ATOM 1299 CA SER A 87 -2.709 -1.335 -7.326 1.00 0.00 C ATOM 1300 C SER A 87 -4.041 -0.672 -7.675 1.00 0.00 C ATOM 1301 O SER A 87 -4.904 -0.550 -6.806 1.00 0.00 O ATOM 1302 CB SER A 87 -1.581 -0.292 -7.207 1.00 0.00 C ATOM 1303 OG SER A 87 -0.741 -0.277 -8.346 1.00 0.00 O ATOM 0 H SER A 87 -1.346 -2.239 -8.600 1.00 0.00 H new ATOM 0 HA SER A 87 -2.856 -1.829 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.017 0.697 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.984 -0.506 -6.321 1.00 0.00 H new ATOM 0 HG SER A 87 0.181 -0.470 -8.075 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.212 -0.260 -8.932 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.431 0.374 -9.417 1.00 0.00 C ATOM 1311 C GLU A 88 -6.598 -0.617 -9.348 1.00 0.00 C ATOM 1312 O GLU A 88 -7.686 -0.290 -8.880 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.221 0.861 -10.861 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.041 1.840 -11.003 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.080 2.584 -12.341 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -5.066 3.322 -12.558 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.125 2.479 -13.148 1.00 0.00 O ATOM 0 H GLU A 88 -3.494 -0.361 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.668 1.232 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.051 -0.000 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.132 1.347 -11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.065 2.560 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.102 1.293 -10.918 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.356 -1.846 -9.807 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.315 -2.943 -9.859 1.00 0.00 C ATOM 1326 C LEU A 89 -7.893 -3.217 -8.467 1.00 0.00 C ATOM 1327 O LEU A 89 -9.105 -3.383 -8.305 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.580 -4.192 -10.394 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.388 -5.193 -11.224 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.625 -5.693 -10.490 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -7.819 -4.612 -12.573 1.00 0.00 C ATOM 0 H LEU A 89 -5.441 -2.113 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.146 -2.685 -10.516 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.741 -3.853 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.161 -4.725 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.714 -6.033 -11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.162 -6.400 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.325 -6.188 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.275 -4.850 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.389 -5.359 -13.125 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.439 -3.731 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.936 -4.332 -13.147 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.021 -3.284 -7.462 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.408 -3.584 -6.095 1.00 0.00 C ATOM 1345 C VAL A 90 -8.118 -2.378 -5.485 1.00 0.00 C ATOM 1346 O VAL A 90 -9.021 -2.576 -4.667 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.160 -4.038 -5.300 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.451 -4.426 -3.839 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.496 -5.280 -5.915 1.00 0.00 C ATOM 0 H VAL A 90 -6.020 -3.130 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.120 -4.408 -6.062 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.515 -3.160 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.525 -4.732 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.872 -3.570 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.162 -5.251 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.625 -5.559 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.208 -6.106 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.183 -5.058 -6.935 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.763 -1.144 -5.873 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.445 0.042 -5.370 1.00 0.00 C ATOM 1361 C ALA A 91 -9.928 -0.050 -5.765 1.00 0.00 C ATOM 1362 O ALA A 91 -10.810 0.267 -4.970 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.792 1.330 -5.889 1.00 0.00 C ATOM 0 H ALA A 91 -7.009 -0.949 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.363 0.081 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.327 2.194 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.752 1.367 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.833 1.345 -6.978 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.227 -0.543 -6.973 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.597 -0.667 -7.471 1.00 0.00 C ATOM 1371 C GLU A 92 -12.162 -2.068 -7.189 1.00 0.00 C ATOM 1372 O GLU A 92 -12.939 -2.605 -7.983 1.00 0.00 O ATOM 1373 CB GLU A 92 -11.709 -0.239 -8.951 1.00 0.00 C ATOM 1374 CG GLU A 92 -10.946 -1.115 -9.960 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.728 -1.339 -11.255 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.507 -2.323 -11.337 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.589 -0.566 -12.226 1.00 0.00 O ATOM 0 H GLU A 92 -9.521 -0.868 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.227 0.031 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.763 -0.231 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.348 0.785 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.991 -0.645 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.724 -2.079 -9.503 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.783 -2.687 -6.069 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.342 -3.956 -5.602 1.00 0.00 C ATOM 1386 C LEU A 93 -12.911 -3.777 -4.203 1.00 0.00 C ATOM 1387 O LEU A 93 -14.082 -4.065 -3.948 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.262 -5.057 -5.607 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.774 -6.406 -5.063 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.795 -7.055 -6.002 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.604 -7.366 -4.865 1.00 0.00 C ATOM 0 H LEU A 93 -11.065 -2.312 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.142 -4.262 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.898 -5.197 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.413 -4.728 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.265 -6.204 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.128 -8.003 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.651 -6.391 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.334 -7.234 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.974 -8.316 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.103 -7.531 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.898 -6.937 -4.154 1.00 0.00 H new ATOM 1403 N VAL A 94 -12.062 -3.355 -3.268 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.400 -3.318 -1.852 1.00 0.00 C ATOM 1405 C VAL A 94 -13.575 -2.374 -1.590 1.00 0.00 C ATOM 1406 O VAL A 94 -14.472 -2.721 -0.815 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.154 -2.959 -1.028 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -10.216 -4.170 -0.942 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.365 -1.768 -1.590 1.00 0.00 C ATOM 0 H VAL A 94 -11.118 -3.029 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.730 -4.307 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.520 -2.671 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.335 -3.907 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.736 -5.000 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.910 -4.465 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.500 -1.573 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.030 -1.998 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.005 -0.886 -1.612 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.629 -1.250 -2.309 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.676 -0.247 -2.208 1.00 0.00 C ATOM 1421 C ALA A 95 -16.058 -0.774 -2.624 1.00 0.00 C ATOM 1422 O ALA A 95 -17.075 -0.131 -2.358 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.275 0.933 -3.097 1.00 0.00 C ATOM 0 H ALA A 95 -12.917 -1.011 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.770 0.050 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.042 1.706 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.324 1.341 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.173 0.594 -4.128 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.102 -1.937 -3.284 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.316 -2.602 -3.751 1.00 0.00 C ATOM 1431 C LEU A 96 -17.586 -3.875 -2.944 1.00 0.00 C ATOM 1432 O LEU A 96 -18.637 -4.495 -3.094 1.00 0.00 O ATOM 1433 CB LEU A 96 -17.206 -2.924 -5.252 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.051 -1.662 -6.128 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.580 -1.359 -6.439 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -17.789 -1.823 -7.460 1.00 0.00 C ATOM 0 H LEU A 96 -15.257 -2.459 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.157 -1.924 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.352 -3.581 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.094 -3.472 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.478 -0.839 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.516 -0.464 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.037 -1.197 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.140 -2.201 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.663 -0.920 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.380 -2.676 -8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.850 -1.988 -7.271 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.645 -4.280 -2.084 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.722 -5.488 -1.264 1.00 0.00 C ATOM 1450 C ASN A 97 -17.002 -5.159 0.203 1.00 0.00 C ATOM 1451 O ASN A 97 -17.214 -6.085 0.994 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.439 -6.321 -1.421 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.549 -7.233 -2.631 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.830 -8.420 -2.490 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.351 -6.706 -3.824 1.00 0.00 N ATOM 0 H ASN A 97 -15.782 -3.757 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.563 -6.085 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.579 -5.660 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.271 -6.915 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.430 -7.288 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.119 -5.717 -3.912 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.026 -3.874 0.571 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.494 -3.405 1.867 1.00 0.00 C ATOM 1464 C GLY A 98 -16.681 -2.268 2.474 1.00 0.00 C ATOM 1465 O GLY A 98 -17.049 -1.795 3.549 1.00 0.00 O ATOM 0 H GLY A 98 -16.713 -3.120 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.529 -3.078 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.492 -4.244 2.562 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.590 -1.832 1.840 1.00 0.00 N ATOM 1470 CA PHE A 99 -14.933 -0.592 2.236 1.00 0.00 C ATOM 1471 C PHE A 99 -15.630 0.612 1.588 1.00 0.00 C ATOM 1472 O PHE A 99 -16.519 0.438 0.751 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.450 -0.642 1.874 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.564 -1.424 2.830 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.542 -2.829 2.788 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.701 -0.740 3.718 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.701 -3.548 3.657 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.826 -1.462 4.548 1.00 0.00 C ATOM 1479 CZ PHE A 99 -10.834 -2.867 4.527 1.00 0.00 C ATOM 0 H PHE A 99 -15.149 -2.316 1.058 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.010 -0.477 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.352 -1.077 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.075 0.380 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.172 -3.357 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.714 0.339 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.722 -4.628 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.147 -0.936 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.175 -3.422 5.178 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.236 1.829 1.979 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.812 3.082 1.491 1.00 0.00 C ATOM 1491 C LYS A 100 -15.419 3.367 0.038 1.00 0.00 C ATOM 1492 O LYS A 100 -16.225 3.172 -0.871 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.433 4.249 2.421 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.270 5.506 2.137 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.680 5.529 2.755 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.694 4.512 2.211 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.055 4.779 2.711 1.00 0.00 N ATOM 0 H LYS A 100 -14.490 1.971 2.660 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.897 2.976 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.574 3.946 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.375 4.482 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.721 6.374 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.366 5.619 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.582 5.369 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.094 6.528 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.694 4.545 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.391 3.506 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.712 4.073 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.060 4.723 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.354 5.730 2.414 1.00 0.00 H new ATOM 1511 N SER A 101 -14.220 3.899 -0.159 1.00 0.00 N ATOM 1512 CA SER A 101 -13.624 4.369 -1.394 1.00 0.00 C ATOM 1513 C SER A 101 -12.115 4.175 -1.264 1.00 0.00 C ATOM 1514 O SER A 101 -11.568 4.403 -0.176 1.00 0.00 O ATOM 1515 CB SER A 101 -13.907 5.864 -1.568 1.00 0.00 C ATOM 1516 OG SER A 101 -15.292 6.167 -1.570 1.00 0.00 O ATOM 0 H SER A 101 -13.579 4.023 0.625 1.00 0.00 H new ATOM 0 HA SER A 101 -14.030 3.825 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.421 6.417 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.464 6.206 -2.503 1.00 0.00 H new ATOM 0 HG SER A 101 -15.415 7.133 -1.682 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.437 3.754 -2.326 1.00 0.00 N ATOM 1523 CA ALA A 102 -10.038 3.364 -2.270 1.00 0.00 C ATOM 1524 C ALA A 102 -9.239 4.057 -3.367 1.00 0.00 C ATOM 1525 O ALA A 102 -9.727 4.324 -4.464 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.923 1.837 -2.330 1.00 0.00 C ATOM 0 H ALA A 102 -11.848 3.674 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.607 3.689 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.873 1.549 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.454 1.399 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.361 1.475 -3.260 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.987 4.348 -3.031 1.00 0.00 N ATOM 1533 CA TYR A 103 -7.004 5.045 -3.843 1.00 0.00 C ATOM 1534 C TYR A 103 -5.926 4.052 -4.291 1.00 0.00 C ATOM 1535 O TYR A 103 -5.775 2.978 -3.698 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.373 6.152 -2.983 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.190 7.426 -2.800 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.449 7.395 -2.170 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.665 8.665 -3.223 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.190 8.580 -2.007 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.396 9.852 -3.059 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.685 9.811 -2.484 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.390 10.968 -2.338 1.00 0.00 O ATOM 0 H TYR A 103 -7.609 4.084 -2.121 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.472 5.481 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.162 5.738 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.415 6.423 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.847 6.458 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.687 8.701 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.151 8.549 -1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.973 10.795 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.883 11.711 -2.726 1.00 0.00 H new ATOM 1553 N ALA A 104 -5.145 4.424 -5.306 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.911 3.740 -5.670 1.00 0.00 C ATOM 1555 C ALA A 104 -2.790 4.778 -5.815 1.00 0.00 C ATOM 1556 O ALA A 104 -3.057 5.972 -5.982 1.00 0.00 O ATOM 1557 CB ALA A 104 -4.110 2.912 -6.949 1.00 0.00 C ATOM 0 H ALA A 104 -5.358 5.221 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.626 3.038 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.178 2.409 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.890 2.169 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.403 3.570 -7.767 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.538 4.330 -5.755 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.329 5.104 -6.016 1.00 0.00 C ATOM 1565 C ILE A 105 0.242 4.520 -7.303 1.00 0.00 C ATOM 1566 O ILE A 105 0.462 3.315 -7.379 1.00 0.00 O ATOM 1567 CB ILE A 105 0.680 5.067 -4.831 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.124 5.367 -5.291 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.694 3.743 -4.060 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.100 5.689 -4.158 1.00 0.00 C ATOM 0 H ILE A 105 -1.329 3.362 -5.509 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.549 6.166 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 105 0.323 5.848 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.501 4.507 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.103 6.208 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.423 3.800 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.295 3.554 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.964 2.931 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.088 5.886 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.752 6.569 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.156 4.842 -3.475 1.00 0.00 H new ATOM 1582 N LYS A 106 0.457 5.367 -8.308 1.00 0.00 N ATOM 1583 CA LYS A 106 1.190 4.975 -9.505 1.00 0.00 C ATOM 1584 C LYS A 106 2.650 4.724 -9.137 1.00 0.00 C ATOM 1585 O LYS A 106 3.172 5.439 -8.275 1.00 0.00 O ATOM 1586 CB LYS A 106 1.128 6.134 -10.499 1.00 0.00 C ATOM 1587 CG LYS A 106 1.194 5.695 -11.965 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.005 4.858 -12.444 1.00 0.00 C ATOM 1589 CE LYS A 106 -1.397 5.377 -12.052 1.00 0.00 C ATOM 1590 NZ LYS A 106 -1.673 6.748 -12.532 1.00 0.00 N ATOM 0 H LYS A 106 0.131 6.334 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 106 0.758 4.072 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.205 6.690 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.952 6.818 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.273 6.583 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.106 5.117 -12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.040 4.786 -13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.106 3.847 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.153 4.702 -12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.492 5.355 -10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.627 7.035 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.973 7.404 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.614 6.771 -13.570 1.00 0.00 H new ATOM 1604 N ASP A 107 3.335 3.864 -9.890 1.00 0.00 N ATOM 1605 CA ASP A 107 4.780 3.603 -9.808 1.00 0.00 C ATOM 1606 C ASP A 107 5.129 2.790 -8.552 1.00 0.00 C ATOM 1607 O ASP A 107 6.305 2.642 -8.213 1.00 0.00 O ATOM 1608 CB ASP A 107 5.638 4.885 -9.867 1.00 0.00 C ATOM 1609 CG ASP A 107 5.237 5.951 -10.873 1.00 0.00 C ATOM 1610 OD1 ASP A 107 4.878 5.626 -12.019 1.00 0.00 O ATOM 1611 OD2 ASP A 107 5.344 7.157 -10.535 1.00 0.00 O ATOM 0 H ASP A 107 2.880 3.302 -10.609 1.00 0.00 H new ATOM 0 HA ASP A 107 5.024 3.017 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.633 5.339 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.666 4.592 -10.079 1.00 0.00 H new ATOM 1616 N GLY A 108 4.110 2.309 -7.829 1.00 0.00 N ATOM 1617 CA GLY A 108 4.196 1.600 -6.564 1.00 0.00 C ATOM 1618 C GLY A 108 5.259 2.172 -5.632 1.00 0.00 C ATOM 1619 O GLY A 108 5.155 3.318 -5.179 1.00 0.00 O ATOM 0 H GLY A 108 3.144 2.416 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.227 1.636 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.416 0.550 -6.756 1.00 0.00 H new ATOM 1623 N ALA A 109 6.268 1.363 -5.313 1.00 0.00 N ATOM 1624 CA ALA A 109 7.373 1.717 -4.438 1.00 0.00 C ATOM 1625 C ALA A 109 8.650 1.902 -5.242 1.00 0.00 C ATOM 1626 O ALA A 109 9.388 2.854 -4.991 1.00 0.00 O ATOM 1627 CB ALA A 109 7.575 0.635 -3.369 1.00 0.00 C ATOM 0 H ALA A 109 6.336 0.411 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 109 7.133 2.658 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.406 0.914 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.667 0.538 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.795 -0.317 -3.852 1.00 0.00 H new ATOM 1633 N GLU A 110 8.934 0.948 -6.129 1.00 0.00 N ATOM 1634 CA GLU A 110 10.217 0.790 -6.794 1.00 0.00 C ATOM 1635 C GLU A 110 10.345 1.685 -8.028 1.00 0.00 C ATOM 1636 O GLU A 110 11.462 1.866 -8.532 1.00 0.00 O ATOM 1637 CB GLU A 110 10.430 -0.669 -7.231 1.00 0.00 C ATOM 1638 CG GLU A 110 10.487 -1.657 -6.060 1.00 0.00 C ATOM 1639 CD GLU A 110 10.972 -3.019 -6.554 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.205 -3.235 -6.627 1.00 0.00 O ATOM 1641 OE2 GLU A 110 10.139 -3.877 -6.920 1.00 0.00 O ATOM 0 H GLU A 110 8.252 0.244 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 110 10.975 1.083 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.622 -0.960 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.358 -0.738 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.157 -1.281 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.501 -1.755 -5.607 1.00 0.00 H new ATOM 1648 N GLY A 111 9.232 2.201 -8.558 1.00 0.00 N ATOM 1649 CA GLY A 111 9.201 2.950 -9.805 1.00 0.00 C ATOM 1650 C GLY A 111 9.991 4.257 -9.710 1.00 0.00 C ATOM 1651 O GLY A 111 10.245 4.745 -8.605 1.00 0.00 O ATOM 0 H GLY A 111 8.315 2.105 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.611 2.336 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.167 3.170 -10.070 1.00 0.00 H new ATOM 1655 N PRO A 112 10.381 4.865 -10.846 1.00 0.00 N ATOM 1656 CA PRO A 112 11.320 5.983 -10.877 1.00 0.00 C ATOM 1657 C PRO A 112 10.818 7.241 -10.176 1.00 0.00 C ATOM 1658 O PRO A 112 11.629 8.132 -9.912 1.00 0.00 O ATOM 1659 CB PRO A 112 11.635 6.239 -12.355 1.00 0.00 C ATOM 1660 CG PRO A 112 10.483 5.566 -13.099 1.00 0.00 C ATOM 1661 CD PRO A 112 10.125 4.398 -12.194 1.00 0.00 C ATOM 0 HA PRO A 112 12.215 5.719 -10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.683 7.306 -12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.597 5.812 -12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.640 6.244 -13.235 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.785 5.230 -14.091 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.081 4.110 -12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.728 3.521 -12.427 1.00 0.00 H new ATOM 1669 N ARG A 113 9.523 7.312 -9.857 1.00 0.00 N ATOM 1670 CA ARG A 113 8.907 8.327 -9.016 1.00 0.00 C ATOM 1671 C ARG A 113 7.830 7.721 -8.108 1.00 0.00 C ATOM 1672 O ARG A 113 6.914 8.443 -7.708 1.00 0.00 O ATOM 1673 CB ARG A 113 8.400 9.475 -9.899 1.00 0.00 C ATOM 1674 CG ARG A 113 9.574 10.326 -10.413 1.00 0.00 C ATOM 1675 CD ARG A 113 9.121 11.725 -10.818 1.00 0.00 C ATOM 1676 NE ARG A 113 8.672 12.508 -9.656 1.00 0.00 N ATOM 1677 CZ ARG A 113 7.752 13.475 -9.684 1.00 0.00 C ATOM 1678 NH1 ARG A 113 7.241 13.891 -10.838 1.00 0.00 N ATOM 1679 NH2 ARG A 113 7.350 14.009 -8.539 1.00 0.00 N ATOM 0 H ARG A 113 8.848 6.627 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 113 9.647 8.746 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.840 9.071 -10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.712 10.101 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.336 10.400 -9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.036 9.831 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.942 12.245 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.310 11.650 -11.542 1.00 0.00 H new ATOM 0 HE ARG A 113 9.099 12.294 -8.755 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.551 13.471 -11.714 1.00 0.00 H new ATOM 0 HH12 ARG A 113 6.539 14.631 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.743 13.680 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.648 14.749 -8.540 1.00 0.00 H new ATOM 1693 N GLY A 114 7.919 6.425 -7.790 1.00 0.00 N ATOM 1694 CA GLY A 114 7.046 5.771 -6.820 1.00 0.00 C ATOM 1695 C GLY A 114 7.387 6.210 -5.401 1.00 0.00 C ATOM 1696 O GLY A 114 8.090 7.200 -5.201 1.00 0.00 O ATOM 0 H GLY A 114 8.608 5.798 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.006 6.012 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.147 4.689 -6.905 1.00 0.00 H new ATOM 1700 N TRP A 115 6.854 5.494 -4.407 1.00 0.00 N ATOM 1701 CA TRP A 115 6.940 5.828 -2.987 1.00 0.00 C ATOM 1702 C TRP A 115 8.367 6.207 -2.576 1.00 0.00 C ATOM 1703 O TRP A 115 8.568 7.290 -2.018 1.00 0.00 O ATOM 1704 CB TRP A 115 6.414 4.656 -2.141 1.00 0.00 C ATOM 1705 CG TRP A 115 6.156 4.954 -0.697 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.104 5.121 0.253 1.00 0.00 C ATOM 1707 CD2 TRP A 115 4.874 5.120 -0.019 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.497 5.348 1.468 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.126 5.410 1.353 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.526 5.067 -0.429 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.094 5.680 2.263 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.482 5.309 0.481 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.762 5.641 1.818 1.00 0.00 C ATOM 0 H TRP A 115 6.332 4.635 -4.578 1.00 0.00 H new ATOM 0 HA TRP A 115 6.316 6.703 -2.806 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.487 4.298 -2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.133 3.839 -2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.170 5.082 0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.002 5.457 2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.292 4.837 -1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.320 5.915 3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.456 5.239 0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 115 1.956 5.865 2.501 1.00 0.00 H new ATOM 1724 N LEU A 116 9.341 5.321 -2.830 1.00 0.00 N ATOM 1725 CA LEU A 116 10.739 5.536 -2.465 1.00 0.00 C ATOM 1726 C LEU A 116 11.226 6.821 -3.122 1.00 0.00 C ATOM 1727 O LEU A 116 11.758 7.710 -2.457 1.00 0.00 O ATOM 1728 CB LEU A 116 11.613 4.344 -2.906 1.00 0.00 C ATOM 1729 CG LEU A 116 11.343 3.027 -2.151 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.073 1.870 -2.842 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.797 3.110 -0.689 1.00 0.00 C ATOM 0 H LEU A 116 9.174 4.430 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 116 10.818 5.622 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.458 4.173 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.661 4.613 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 116 10.267 2.853 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.878 0.943 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.716 1.776 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.145 2.068 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.590 2.163 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.867 3.314 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.257 3.912 -0.185 1.00 0.00 H new ATOM 1743 N ASN A 117 11.003 6.947 -4.430 1.00 0.00 N ATOM 1744 CA ASN A 117 11.371 8.100 -5.245 1.00 0.00 C ATOM 1745 C ASN A 117 10.366 9.257 -5.075 1.00 0.00 C ATOM 1746 O ASN A 117 9.960 9.900 -6.053 1.00 0.00 O ATOM 1747 CB ASN A 117 11.538 7.667 -6.713 1.00 0.00 C ATOM 1748 CG ASN A 117 12.734 6.751 -6.932 1.00 0.00 C ATOM 1749 OD1 ASN A 117 12.760 5.613 -6.470 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.760 7.191 -7.636 1.00 0.00 N ATOM 0 H ASN A 117 10.541 6.216 -4.972 1.00 0.00 H new ATOM 0 HA ASN A 117 12.330 8.487 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.632 7.157 -7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.648 8.554 -7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.567 6.587 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.746 8.135 -8.023 1.00 0.00 H new ATOM 1757 N SER A 118 9.943 9.540 -3.838 1.00 0.00 N ATOM 1758 CA SER A 118 9.056 10.650 -3.507 1.00 0.00 C ATOM 1759 C SER A 118 9.386 11.295 -2.152 1.00 0.00 C ATOM 1760 O SER A 118 8.536 11.994 -1.598 1.00 0.00 O ATOM 1761 CB SER A 118 7.588 10.198 -3.589 1.00 0.00 C ATOM 1762 OG SER A 118 6.796 11.217 -4.180 1.00 0.00 O ATOM 0 H SER A 118 10.216 8.989 -3.024 1.00 0.00 H new ATOM 0 HA SER A 118 9.218 11.432 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.514 9.282 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.214 9.968 -2.591 1.00 0.00 H new ATOM 0 HG SER A 118 6.908 12.051 -3.678 1.00 0.00 H new ATOM 1768 N SER A 119 10.593 11.086 -1.602 1.00 0.00 N ATOM 1769 CA SER A 119 11.015 11.670 -0.323 1.00 0.00 C ATOM 1770 C SER A 119 10.225 11.087 0.863 1.00 0.00 C ATOM 1771 O SER A 119 10.220 11.652 1.961 1.00 0.00 O ATOM 1772 CB SER A 119 10.932 13.208 -0.419 1.00 0.00 C ATOM 1773 OG SER A 119 11.901 13.868 0.366 1.00 0.00 O ATOM 0 H SER A 119 11.307 10.502 -2.037 1.00 0.00 H new ATOM 0 HA SER A 119 12.053 11.403 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.052 13.507 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.939 13.532 -0.107 1.00 0.00 H new ATOM 0 HG SER A 119 11.800 14.837 0.264 1.00 0.00 H new ATOM 1779 N LEU A 120 9.505 9.982 0.660 1.00 0.00 N ATOM 1780 CA LEU A 120 8.675 9.380 1.693 1.00 0.00 C ATOM 1781 C LEU A 120 9.537 8.611 2.692 1.00 0.00 C ATOM 1782 O LEU A 120 10.604 8.112 2.325 1.00 0.00 O ATOM 1783 CB LEU A 120 7.590 8.508 1.045 1.00 0.00 C ATOM 1784 CG LEU A 120 6.556 9.362 0.294 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.479 8.491 -0.349 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.884 10.364 1.230 1.00 0.00 C ATOM 0 H LEU A 120 9.484 9.482 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 120 8.167 10.160 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.053 7.803 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.088 7.919 1.813 1.00 0.00 H new ATOM 0 HG LEU A 120 7.097 9.900 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.763 9.125 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.942 7.804 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.962 7.921 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.158 10.954 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.376 9.829 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.638 11.026 1.656 1.00 0.00 H new ATOM 1798 N PRO A 121 9.086 8.514 3.954 1.00 0.00 N ATOM 1799 CA PRO A 121 9.768 7.715 4.959 1.00 0.00 C ATOM 1800 C PRO A 121 9.757 6.233 4.564 1.00 0.00 C ATOM 1801 O PRO A 121 8.904 5.801 3.783 1.00 0.00 O ATOM 1802 CB PRO A 121 8.992 7.934 6.263 1.00 0.00 C ATOM 1803 CG PRO A 121 7.785 8.814 5.948 1.00 0.00 C ATOM 1804 CD PRO A 121 7.840 9.083 4.451 1.00 0.00 C ATOM 0 HA PRO A 121 10.813 8.006 5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.670 6.980 6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.627 8.410 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.856 8.314 6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.823 9.745 6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.984 8.633 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.800 10.154 4.251 1.00 0.00 H new ATOM 1812 N TRP A 122 10.597 5.414 5.192 1.00 0.00 N ATOM 1813 CA TRP A 122 10.584 3.963 5.044 1.00 0.00 C ATOM 1814 C TRP A 122 10.833 3.326 6.416 1.00 0.00 C ATOM 1815 O TRP A 122 11.147 4.026 7.383 1.00 0.00 O ATOM 1816 CB TRP A 122 11.632 3.561 3.993 1.00 0.00 C ATOM 1817 CG TRP A 122 11.368 2.295 3.238 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.228 1.259 3.126 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.238 1.962 2.371 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.692 0.295 2.298 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.444 0.654 1.838 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.081 2.644 1.941 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.511 0.029 0.995 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.151 2.032 1.077 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.355 0.725 0.616 1.00 0.00 C ATOM 0 H TRP A 122 11.319 5.748 5.830 1.00 0.00 H new ATOM 0 HA TRP A 122 9.618 3.603 4.690 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.724 4.375 3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.597 3.466 4.492 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.190 1.195 3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.162 -0.577 2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.904 3.654 2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.682 -0.977 0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.271 2.577 0.767 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.626 0.256 -0.028 1.00 0.00 H new ATOM 1836 N ILE A 123 10.703 2.008 6.516 1.00 0.00 N ATOM 1837 CA ILE A 123 11.077 1.225 7.692 1.00 0.00 C ATOM 1838 C ILE A 123 12.407 0.525 7.439 1.00 0.00 C ATOM 1839 O ILE A 123 13.189 0.380 8.378 1.00 0.00 O ATOM 1840 CB ILE A 123 9.944 0.243 8.093 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.722 1.076 8.498 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.387 -0.673 9.240 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.496 0.314 8.988 1.00 0.00 C ATOM 0 H ILE A 123 10.324 1.437 5.761 1.00 0.00 H new ATOM 0 HA ILE A 123 11.213 1.891 8.544 1.00 0.00 H new ATOM 0 HB ILE A 123 9.696 -0.403 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.028 1.766 9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.425 1.680 7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.573 -1.350 9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.256 -1.253 8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.647 -0.068 10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.706 1.021 9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.146 -0.356 8.203 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.759 -0.268 9.871 1.00 0.00 H new ATOM 1855 N GLU A 124 12.691 0.152 6.186 1.00 0.00 N ATOM 1856 CA GLU A 124 13.797 -0.725 5.798 1.00 0.00 C ATOM 1857 C GLU A 124 13.648 -2.136 6.405 1.00 0.00 C ATOM 1858 O GLU A 124 12.851 -2.361 7.326 1.00 0.00 O ATOM 1859 CB GLU A 124 15.163 -0.054 6.106 1.00 0.00 C ATOM 1860 CG GLU A 124 15.664 0.719 4.886 1.00 0.00 C ATOM 1861 CD GLU A 124 17.145 1.084 5.008 1.00 0.00 C ATOM 1862 OE1 GLU A 124 18.018 0.219 4.777 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.458 2.255 5.333 1.00 0.00 O ATOM 0 H GLU A 124 12.137 0.464 5.388 1.00 0.00 H new ATOM 0 HA GLU A 124 13.762 -0.872 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.060 0.621 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.893 -0.813 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.511 0.119 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.075 1.628 4.766 1.00 0.00 H new ATOM 1870 N PRO A 125 14.424 -3.124 5.928 1.00 0.00 N ATOM 1871 CA PRO A 125 14.569 -4.395 6.623 1.00 0.00 C ATOM 1872 C PRO A 125 15.293 -4.181 7.959 1.00 0.00 C ATOM 1873 O PRO A 125 15.518 -3.058 8.423 1.00 0.00 O ATOM 1874 CB PRO A 125 15.361 -5.298 5.674 1.00 0.00 C ATOM 1875 CG PRO A 125 16.256 -4.296 4.955 1.00 0.00 C ATOM 1876 CD PRO A 125 15.391 -3.044 4.839 1.00 0.00 C ATOM 0 HA PRO A 125 13.610 -4.851 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.940 -6.048 6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.710 -5.833 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.168 -4.100 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.559 -4.664 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.997 -2.142 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.889 -3.005 3.873 1.00 0.00 H new