USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 851 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 86 LYS NZ :NH3+ 171:sc= 0.0148 (180deg=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.0211 USER MOD Set 2.1: A 37 CYS SG : rot 130:sc= -0.901 USER MOD Set 2.2: A 39 HIS :FLIP no HD1:sc= 0.0364 F(o=-1.6,f=-0.86) USER MOD Set 3.1: A 17 TYR OH : rot -37:sc= 1.06 USER MOD Set 3.2: A 88 TYR OH : rot 91:sc= 0.721 USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.275 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.47! C(o=-4.9!,f=-3.5!) USER MOD Single : A 18 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.29) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1 USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= 0.491 (180deg=0.197) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 40 CYS SG : rot 177:sc= -0.609 USER MOD Single : A 41 LYS NZ :NH3+ -114:sc= 1.03 (180deg=-2.14!) USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -2.48 (180deg=-8.8!) USER MOD Single : A 47 TYR OH : rot -140:sc= -0.909 USER MOD Single : A 54 TYR OH : rot -114:sc= -0.461 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -97:sc= 0.586 USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= 0.657 (180deg=0.593) USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= 0.781 (180deg=-0.263) USER MOD Single : A 71 THR OG1 : rot -12:sc= 0.182! USER MOD Single : A 73 ASN :FLIP amide:sc= -8.12! C(o=-9.5!,f=-8.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= -3.25! (180deg=-3.25!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -7.96! C(o=-8!,f=-14!) USER MOD Single : A 117 LYS NZ :NH3+ 170:sc=-0.00565 (180deg=-0.166) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -111:sc= 0.453 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -0.072 8.214 -8.248 1.00 14.24 N ATOM 84 CA PRO A 8 -0.143 6.814 -8.656 1.00 15.51 C ATOM 85 C PRO A 8 -0.584 5.897 -7.521 1.00 72.52 C ATOM 86 O PRO A 8 -1.500 5.091 -7.681 1.00 41.40 O ATOM 87 CB PRO A 8 1.292 6.505 -9.063 1.00 3.35 C ATOM 88 CG PRO A 8 2.133 7.390 -8.210 1.00 63.20 C ATOM 89 CD PRO A 8 1.307 8.620 -7.912 1.00 34.42 C ATOM 0 HA PRO A 8 -0.876 6.653 -9.447 1.00 15.51 H new ATOM 0 HB2 PRO A 8 1.532 5.454 -8.898 1.00 3.35 H new ATOM 0 HB3 PRO A 8 1.454 6.707 -10.122 1.00 3.35 H new ATOM 0 HG2 PRO A 8 2.417 6.882 -7.288 1.00 63.20 H new ATOM 0 HG3 PRO A 8 3.056 7.659 -8.724 1.00 63.20 H new ATOM 0 HD2 PRO A 8 1.393 8.915 -6.866 1.00 34.42 H new ATOM 0 HD3 PRO A 8 1.629 9.472 -8.511 1.00 34.42 H new ATOM 97 N VAL A 9 0.071 6.029 -6.373 1.00 44.12 N ATOM 98 CA VAL A 9 -0.257 5.216 -5.211 1.00 62.33 C ATOM 99 C VAL A 9 -1.487 5.778 -4.504 1.00 22.23 C ATOM 100 O VAL A 9 -1.612 6.988 -4.313 1.00 54.03 O ATOM 101 CB VAL A 9 0.942 5.118 -4.235 1.00 64.01 C ATOM 102 CG1 VAL A 9 1.586 6.478 -4.024 1.00 13.52 C ATOM 103 CG2 VAL A 9 0.536 4.498 -2.901 1.00 42.03 C ATOM 0 H VAL A 9 0.832 6.692 -6.224 1.00 44.12 H new ATOM 0 HA VAL A 9 -0.483 4.207 -5.556 1.00 62.33 H new ATOM 0 HB VAL A 9 1.679 4.458 -4.693 1.00 64.01 H new ATOM 0 HG11 VAL A 9 2.425 6.380 -3.335 1.00 13.52 H new ATOM 0 HG12 VAL A 9 1.944 6.863 -4.979 1.00 13.52 H new ATOM 0 HG13 VAL A 9 0.852 7.167 -3.607 1.00 13.52 H new ATOM 0 HG21 VAL A 9 1.404 4.447 -2.244 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -0.236 5.111 -2.435 1.00 42.03 H new ATOM 0 HG23 VAL A 9 0.149 3.493 -3.070 1.00 42.03 H new ATOM 113 N THR A 10 -2.399 4.886 -4.137 1.00 5.01 N ATOM 114 CA THR A 10 -3.632 5.272 -3.472 1.00 75.12 C ATOM 115 C THR A 10 -3.421 5.473 -1.980 1.00 31.32 C ATOM 116 O THR A 10 -3.655 4.572 -1.172 1.00 72.42 O ATOM 117 CB THR A 10 -4.716 4.221 -3.707 1.00 63.14 C ATOM 118 OG1 THR A 10 -4.948 4.040 -5.093 1.00 31.52 O ATOM 119 CG2 THR A 10 -6.037 4.579 -3.061 1.00 13.33 C ATOM 0 H THR A 10 -2.304 3.882 -4.292 1.00 5.01 H new ATOM 0 HA THR A 10 -3.953 6.222 -3.900 1.00 75.12 H new ATOM 0 HB THR A 10 -4.340 3.306 -3.250 1.00 63.14 H new ATOM 0 HG1 THR A 10 -5.826 3.626 -5.226 1.00 31.52 H new ATOM 0 HG21 THR A 10 -6.766 3.794 -3.264 1.00 13.33 H new ATOM 0 HG22 THR A 10 -5.900 4.678 -1.984 1.00 13.33 H new ATOM 0 HG23 THR A 10 -6.398 5.523 -3.469 1.00 13.33 H new ATOM 127 N VAL A 11 -2.996 6.671 -1.623 1.00 71.41 N ATOM 128 CA VAL A 11 -2.777 7.016 -0.232 1.00 3.10 C ATOM 129 C VAL A 11 -4.120 7.191 0.465 1.00 13.32 C ATOM 130 O VAL A 11 -4.673 8.289 0.516 1.00 52.32 O ATOM 131 CB VAL A 11 -1.937 8.302 -0.113 1.00 61.10 C ATOM 132 CG1 VAL A 11 -2.447 9.362 -1.076 1.00 2.44 C ATOM 133 CG2 VAL A 11 -1.923 8.820 1.318 1.00 12.43 C ATOM 0 H VAL A 11 -2.795 7.424 -2.281 1.00 71.41 H new ATOM 0 HA VAL A 11 -2.224 6.209 0.249 1.00 3.10 H new ATOM 0 HB VAL A 11 -0.909 8.063 -0.384 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -1.842 10.264 -0.978 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -2.379 8.988 -2.098 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -3.486 9.595 -0.843 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -1.322 9.728 1.370 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -2.942 9.040 1.635 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -1.494 8.063 1.975 1.00 12.43 H new ATOM 143 N VAL A 12 -4.647 6.086 0.977 1.00 12.21 N ATOM 144 CA VAL A 12 -5.937 6.088 1.647 1.00 51.53 C ATOM 145 C VAL A 12 -5.787 6.278 3.147 1.00 64.22 C ATOM 146 O VAL A 12 -5.066 5.534 3.808 1.00 52.11 O ATOM 147 CB VAL A 12 -6.695 4.771 1.391 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.160 4.921 1.764 1.00 64.02 C ATOM 149 CG2 VAL A 12 -6.550 4.330 -0.060 1.00 65.23 C ATOM 0 H VAL A 12 -4.196 5.172 0.939 1.00 12.21 H new ATOM 0 HA VAL A 12 -6.502 6.924 1.235 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.256 3.998 2.021 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -8.681 3.982 1.577 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.242 5.178 2.820 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -8.609 5.711 1.163 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.094 3.398 -0.213 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -6.956 5.100 -0.716 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -5.496 4.176 -0.290 1.00 65.23 H new ATOM 159 N VAL A 13 -6.487 7.269 3.681 1.00 73.01 N ATOM 160 CA VAL A 13 -6.443 7.541 5.106 1.00 12.41 C ATOM 161 C VAL A 13 -7.302 6.533 5.857 1.00 65.31 C ATOM 162 O VAL A 13 -8.129 5.847 5.258 1.00 22.01 O ATOM 163 CB VAL A 13 -6.936 8.965 5.425 1.00 70.44 C ATOM 164 CG1 VAL A 13 -5.910 9.995 4.981 1.00 61.55 C ATOM 165 CG2 VAL A 13 -8.282 9.225 4.767 1.00 24.13 C ATOM 0 H VAL A 13 -7.090 7.895 3.148 1.00 73.01 H new ATOM 0 HA VAL A 13 -5.404 7.456 5.426 1.00 12.41 H new ATOM 0 HB VAL A 13 -7.063 9.053 6.504 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -6.275 10.995 5.214 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -4.970 9.821 5.504 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -5.749 9.909 3.906 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -8.614 10.236 5.004 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -8.185 9.119 3.687 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -9.013 8.507 5.138 1.00 24.13 H new ATOM 175 N ALA A 14 -7.109 6.442 7.167 1.00 50.31 N ATOM 176 CA ALA A 14 -7.880 5.510 7.982 1.00 20.23 C ATOM 177 C ALA A 14 -9.379 5.685 7.749 1.00 61.22 C ATOM 178 O ALA A 14 -10.169 4.778 8.013 1.00 75.33 O ATOM 179 CB ALA A 14 -7.543 5.694 9.454 1.00 3.45 C ATOM 0 H ALA A 14 -6.430 6.998 7.686 1.00 50.31 H new ATOM 0 HA ALA A 14 -7.612 4.496 7.685 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.125 4.992 10.051 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -6.480 5.508 9.610 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -7.781 6.713 9.757 1.00 3.45 H new ATOM 185 N LYS A 15 -9.763 6.859 7.254 1.00 73.33 N ATOM 186 CA LYS A 15 -11.160 7.161 6.985 1.00 2.31 C ATOM 187 C LYS A 15 -11.695 6.330 5.817 1.00 0.43 C ATOM 188 O LYS A 15 -12.838 5.874 5.848 1.00 73.50 O ATOM 189 CB LYS A 15 -11.317 8.659 6.697 1.00 53.11 C ATOM 190 CG LYS A 15 -12.593 9.021 5.952 1.00 42.31 C ATOM 191 CD LYS A 15 -13.214 10.302 6.491 1.00 3.33 C ATOM 192 CE LYS A 15 -13.393 11.341 5.395 1.00 2.15 C ATOM 193 NZ LYS A 15 -14.627 12.150 5.591 1.00 24.30 N ATOM 0 H LYS A 15 -9.120 7.618 7.031 1.00 73.33 H new ATOM 0 HA LYS A 15 -11.745 6.901 7.867 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -11.294 9.203 7.641 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -10.461 8.997 6.113 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -12.374 9.141 4.891 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -13.310 8.204 6.039 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -14.181 10.077 6.941 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -12.582 10.710 7.280 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -12.526 12.001 5.376 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -13.436 10.843 4.426 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -14.711 12.846 4.823 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -15.457 11.524 5.584 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -14.576 12.646 6.504 1.00 24.30 H new ATOM 207 N ASN A 16 -10.875 6.143 4.783 1.00 62.45 N ATOM 208 CA ASN A 16 -11.302 5.371 3.615 1.00 24.10 C ATOM 209 C ASN A 16 -10.497 4.089 3.442 1.00 13.24 C ATOM 210 O ASN A 16 -10.799 3.280 2.567 1.00 70.35 O ATOM 211 CB ASN A 16 -11.210 6.198 2.331 1.00 75.23 C ATOM 212 CG ASN A 16 -10.885 7.648 2.572 1.00 52.33 C ATOM 213 OD1 ASN A 16 -9.641 7.995 2.330 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -11.741 8.442 2.961 1.00 72.22 N flip ATOM 0 H ASN A 16 -9.925 6.509 4.729 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.343 5.103 3.798 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -10.447 5.766 1.684 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -12.157 6.130 1.796 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -12.693 8.121 3.134 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -11.498 9.421 3.110 1.00 72.22 H new ATOM 221 N TYR A 17 -9.475 3.898 4.263 1.00 73.13 N ATOM 222 CA TYR A 17 -8.650 2.711 4.180 1.00 31.51 C ATOM 223 C TYR A 17 -9.477 1.430 4.341 1.00 30.21 C ATOM 224 O TYR A 17 -8.997 0.335 4.053 1.00 22.14 O ATOM 225 CB TYR A 17 -7.558 2.781 5.240 1.00 10.24 C ATOM 226 CG TYR A 17 -7.367 1.490 6.002 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.545 0.493 5.510 1.00 41.43 C ATOM 228 CD2 TYR A 17 -8.032 1.265 7.199 1.00 60.52 C ATOM 229 CE1 TYR A 17 -6.383 -0.696 6.187 1.00 53.20 C ATOM 230 CE2 TYR A 17 -7.879 0.076 7.885 1.00 61.12 C ATOM 231 CZ TYR A 17 -7.053 -0.902 7.375 1.00 1.23 C ATOM 232 OH TYR A 17 -6.899 -2.089 8.055 1.00 64.43 O ATOM 0 H TYR A 17 -9.200 4.554 4.994 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.197 2.676 3.189 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.617 3.053 4.762 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -7.799 3.576 5.945 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.021 0.649 4.579 1.00 41.43 H new ATOM 0 HD2 TYR A 17 -8.679 2.031 7.600 1.00 60.52 H new ATOM 0 HE1 TYR A 17 -5.735 -1.463 5.790 1.00 53.20 H new ATOM 0 HE2 TYR A 17 -8.403 -0.086 8.815 1.00 61.12 H new ATOM 0 HH TYR A 17 -6.831 -2.827 7.414 1.00 64.43 H new ATOM 242 N ASN A 18 -10.722 1.567 4.777 1.00 10.22 N ATOM 243 CA ASN A 18 -11.596 0.420 4.937 1.00 34.50 C ATOM 244 C ASN A 18 -12.510 0.334 3.728 1.00 51.55 C ATOM 245 O ASN A 18 -13.328 -0.577 3.597 1.00 73.34 O ATOM 246 CB ASN A 18 -12.415 0.549 6.224 1.00 33.25 C ATOM 247 CG ASN A 18 -13.454 1.653 6.150 1.00 43.31 C ATOM 248 OD1 ASN A 18 -14.559 1.448 5.649 1.00 72.43 O ATOM 249 ND2 ASN A 18 -13.102 2.832 6.650 1.00 21.11 N ATOM 0 H ASN A 18 -11.146 2.461 5.025 1.00 10.22 H new ATOM 0 HA ASN A 18 -11.001 -0.490 5.010 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.912 -0.399 6.430 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -11.743 0.744 7.059 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -13.759 3.612 6.628 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -12.175 2.957 7.056 1.00 21.11 H new ATOM 256 N GLU A 19 -12.362 1.326 2.860 1.00 74.43 N ATOM 257 CA GLU A 19 -13.147 1.444 1.663 1.00 71.35 C ATOM 258 C GLU A 19 -12.294 1.200 0.420 1.00 43.22 C ATOM 259 O GLU A 19 -12.788 0.734 -0.606 1.00 73.12 O ATOM 260 CB GLU A 19 -13.717 2.853 1.634 1.00 22.30 C ATOM 261 CG GLU A 19 -15.211 2.898 1.418 1.00 32.11 C ATOM 262 CD GLU A 19 -15.590 3.179 -0.023 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.028 4.127 -0.610 1.00 13.41 O ATOM 264 OE2 GLU A 19 -16.449 2.451 -0.563 1.00 3.41 O ATOM 0 H GLU A 19 -11.681 2.076 2.980 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.942 0.698 1.663 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -13.479 3.351 2.574 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -13.227 3.418 0.841 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.646 1.947 1.724 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -15.643 3.667 2.059 1.00 32.11 H new ATOM 271 N ILE A 20 -11.016 1.553 0.517 1.00 42.00 N ATOM 272 CA ILE A 20 -10.092 1.412 -0.602 1.00 52.51 C ATOM 273 C ILE A 20 -9.033 0.342 -0.348 1.00 35.23 C ATOM 274 O ILE A 20 -8.746 -0.476 -1.221 1.00 61.03 O ATOM 275 CB ILE A 20 -9.382 2.747 -0.888 1.00 24.15 C ATOM 276 CG1 ILE A 20 -10.307 3.925 -0.535 1.00 54.14 C ATOM 277 CG2 ILE A 20 -8.934 2.799 -2.341 1.00 31.52 C ATOM 278 CD1 ILE A 20 -9.975 5.222 -1.243 1.00 65.13 C ATOM 0 H ILE A 20 -10.596 1.940 1.362 1.00 42.00 H new ATOM 0 HA ILE A 20 -10.691 1.109 -1.461 1.00 52.51 H new ATOM 0 HB ILE A 20 -8.493 2.826 -0.263 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -11.334 3.648 -0.775 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.265 4.093 0.541 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -8.433 3.748 -2.533 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.245 1.978 -2.539 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -9.803 2.709 -2.993 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -10.678 5.996 -0.934 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -8.961 5.528 -0.985 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -10.047 5.077 -2.321 1.00 65.13 H new ATOM 290 N VAL A 21 -8.449 0.355 0.845 1.00 13.15 N ATOM 291 CA VAL A 21 -7.420 -0.611 1.201 1.00 74.31 C ATOM 292 C VAL A 21 -8.040 -1.917 1.669 1.00 32.11 C ATOM 293 O VAL A 21 -7.353 -2.925 1.831 1.00 30.43 O ATOM 294 CB VAL A 21 -6.516 -0.048 2.313 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.642 -1.135 2.924 1.00 12.14 C ATOM 296 CG2 VAL A 21 -5.676 1.099 1.779 1.00 4.12 C ATOM 0 H VAL A 21 -8.672 1.025 1.581 1.00 13.15 H new ATOM 0 HA VAL A 21 -6.822 -0.804 0.310 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.155 0.336 3.109 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -5.017 -0.703 3.705 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -6.275 -1.912 3.354 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -5.008 -1.570 2.151 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.042 1.487 2.576 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.052 0.742 0.960 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -6.331 1.892 1.417 1.00 4.12 H new ATOM 306 N LEU A 22 -9.339 -1.882 1.901 1.00 62.02 N ATOM 307 CA LEU A 22 -10.060 -3.046 2.370 1.00 15.22 C ATOM 308 C LEU A 22 -10.965 -3.619 1.281 1.00 41.35 C ATOM 309 O LEU A 22 -11.780 -4.505 1.539 1.00 65.21 O ATOM 310 CB LEU A 22 -10.868 -2.641 3.597 1.00 73.24 C ATOM 311 CG LEU A 22 -11.283 -3.766 4.558 1.00 62.35 C ATOM 312 CD1 LEU A 22 -12.787 -3.988 4.503 1.00 60.20 C ATOM 313 CD2 LEU A 22 -10.544 -5.065 4.261 1.00 13.10 C ATOM 0 H LEU A 22 -9.918 -1.053 1.770 1.00 62.02 H new ATOM 0 HA LEU A 22 -9.353 -3.833 2.633 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -10.287 -1.911 4.160 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.771 -2.135 3.257 1.00 73.24 H new ATOM 0 HG LEU A 22 -11.008 -3.453 5.565 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -13.062 -4.788 5.190 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -13.301 -3.071 4.790 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -13.077 -4.264 3.489 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -10.866 -5.835 4.962 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -10.766 -5.385 3.243 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -9.471 -4.905 4.365 1.00 13.10 H new ATOM 325 N ASP A 23 -10.812 -3.113 0.060 1.00 73.33 N ATOM 326 CA ASP A 23 -11.592 -3.567 -1.062 1.00 10.24 C ATOM 327 C ASP A 23 -11.156 -4.966 -1.493 1.00 65.21 C ATOM 328 O ASP A 23 -9.963 -5.254 -1.569 1.00 42.23 O ATOM 329 CB ASP A 23 -11.401 -2.578 -2.196 1.00 34.23 C ATOM 330 CG ASP A 23 -9.955 -2.463 -2.623 1.00 41.32 C ATOM 331 OD1 ASP A 23 -9.081 -2.958 -1.883 1.00 43.53 O ATOM 332 OD2 ASP A 23 -9.695 -1.878 -3.696 1.00 23.33 O ATOM 0 H ASP A 23 -10.142 -2.378 -0.168 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.645 -3.624 -0.785 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -12.005 -2.886 -3.049 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -11.764 -1.598 -1.885 1.00 34.23 H new ATOM 337 N ASP A 24 -12.124 -5.831 -1.771 1.00 43.30 N ATOM 338 CA ASP A 24 -11.830 -7.199 -2.186 1.00 4.41 C ATOM 339 C ASP A 24 -11.833 -7.334 -3.706 1.00 13.13 C ATOM 340 O ASP A 24 -11.912 -8.441 -4.237 1.00 73.32 O ATOM 341 CB ASP A 24 -12.846 -8.169 -1.580 1.00 72.31 C ATOM 342 CG ASP A 24 -14.277 -7.767 -1.874 1.00 44.42 C ATOM 343 OD1 ASP A 24 -14.694 -7.873 -3.047 1.00 54.41 O ATOM 344 OD2 ASP A 24 -14.982 -7.347 -0.933 1.00 4.20 O ATOM 0 H ASP A 24 -13.118 -5.611 -1.717 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.832 -7.446 -1.823 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.666 -9.170 -1.971 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.700 -8.217 -0.501 1.00 72.31 H new ATOM 349 N THR A 25 -11.740 -6.206 -4.401 1.00 53.34 N ATOM 350 CA THR A 25 -11.726 -6.212 -5.856 1.00 13.33 C ATOM 351 C THR A 25 -10.308 -6.422 -6.375 1.00 21.11 C ATOM 352 O THR A 25 -10.102 -7.041 -7.419 1.00 50.55 O ATOM 353 CB THR A 25 -12.293 -4.900 -6.400 1.00 15.52 C ATOM 354 OG1 THR A 25 -11.394 -3.830 -6.165 1.00 52.32 O ATOM 355 CG2 THR A 25 -13.625 -4.524 -5.787 1.00 12.41 C ATOM 0 H THR A 25 -11.673 -5.279 -3.980 1.00 53.34 H new ATOM 0 HA THR A 25 -12.351 -7.035 -6.201 1.00 13.33 H new ATOM 0 HB THR A 25 -12.437 -5.068 -7.467 1.00 15.52 H new ATOM 0 HG1 THR A 25 -11.773 -3.000 -6.521 1.00 52.32 H new ATOM 0 HG21 THR A 25 -13.971 -3.584 -6.217 1.00 12.41 H new ATOM 0 HG22 THR A 25 -14.354 -5.307 -5.993 1.00 12.41 H new ATOM 0 HG23 THR A 25 -13.510 -4.410 -4.709 1.00 12.41 H new ATOM 363 N LYS A 26 -9.334 -5.903 -5.634 1.00 64.34 N ATOM 364 CA LYS A 26 -7.928 -6.032 -6.016 1.00 52.34 C ATOM 365 C LYS A 26 -7.031 -6.083 -4.782 1.00 41.14 C ATOM 366 O LYS A 26 -7.470 -5.780 -3.673 1.00 70.12 O ATOM 367 CB LYS A 26 -7.501 -4.862 -6.910 1.00 43.41 C ATOM 368 CG LYS A 26 -8.589 -4.363 -7.850 1.00 45.11 C ATOM 369 CD LYS A 26 -8.768 -5.291 -9.041 1.00 24.03 C ATOM 370 CE LYS A 26 -10.210 -5.306 -9.523 1.00 22.42 C ATOM 371 NZ LYS A 26 -10.535 -4.107 -10.344 1.00 4.32 N ATOM 0 H LYS A 26 -9.490 -5.390 -4.767 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.820 -6.964 -6.570 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -7.177 -4.036 -6.277 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -6.638 -5.168 -7.502 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -9.531 -4.281 -7.307 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -8.336 -3.363 -8.202 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -8.115 -4.972 -9.853 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -8.465 -6.301 -8.766 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -10.387 -6.207 -10.111 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -10.879 -5.350 -8.664 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -11.313 -4.333 -10.996 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -10.822 -3.326 -9.720 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -9.697 -3.823 -10.891 1.00 4.32 H new ATOM 385 N ASP A 27 -5.767 -6.453 -4.983 1.00 24.42 N ATOM 386 CA ASP A 27 -4.813 -6.524 -3.886 1.00 22.11 C ATOM 387 C ASP A 27 -4.307 -5.128 -3.551 1.00 12.42 C ATOM 388 O ASP A 27 -3.764 -4.433 -4.410 1.00 4.03 O ATOM 389 CB ASP A 27 -3.643 -7.437 -4.253 1.00 1.12 C ATOM 390 CG ASP A 27 -3.972 -8.904 -4.058 1.00 23.20 C ATOM 391 OD1 ASP A 27 -5.005 -9.357 -4.594 1.00 61.20 O ATOM 392 OD2 ASP A 27 -3.198 -9.599 -3.369 1.00 44.20 O ATOM 0 H ASP A 27 -5.384 -6.707 -5.894 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.313 -6.941 -3.012 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.364 -7.265 -5.292 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.778 -7.177 -3.643 1.00 1.12 H new ATOM 397 N VAL A 28 -4.510 -4.708 -2.310 1.00 13.21 N ATOM 398 CA VAL A 28 -4.094 -3.380 -1.885 1.00 73.13 C ATOM 399 C VAL A 28 -3.003 -3.433 -0.822 1.00 22.42 C ATOM 400 O VAL A 28 -3.214 -3.936 0.281 1.00 22.43 O ATOM 401 CB VAL A 28 -5.289 -2.579 -1.340 1.00 31.52 C ATOM 402 CG1 VAL A 28 -4.916 -1.123 -1.129 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.476 -2.697 -2.280 1.00 74.34 C ATOM 0 H VAL A 28 -4.958 -5.265 -1.583 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.691 -2.884 -2.768 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.568 -2.997 -0.373 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -5.778 -0.579 -0.743 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.096 -1.057 -0.414 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -4.606 -0.686 -2.078 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.314 -2.125 -1.881 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.204 -2.306 -3.261 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.763 -3.744 -2.374 1.00 74.34 H new ATOM 413 N LEU A 29 -1.842 -2.889 -1.165 1.00 22.35 N ATOM 414 CA LEU A 29 -0.708 -2.843 -0.251 1.00 32.45 C ATOM 415 C LEU A 29 -0.739 -1.551 0.543 1.00 41.43 C ATOM 416 O LEU A 29 -0.438 -0.489 0.006 1.00 13.44 O ATOM 417 CB LEU A 29 0.602 -2.921 -1.031 1.00 2.32 C ATOM 418 CG LEU A 29 1.797 -3.465 -0.245 1.00 24.12 C ATOM 419 CD1 LEU A 29 1.536 -4.891 0.208 1.00 50.44 C ATOM 420 CD2 LEU A 29 3.063 -3.392 -1.085 1.00 4.34 C ATOM 0 H LEU A 29 -1.661 -2.470 -2.077 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.774 -3.693 0.428 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.447 -3.550 -1.908 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.850 -1.924 -1.394 1.00 2.32 H new ATOM 0 HG LEU A 29 1.936 -2.847 0.642 1.00 24.12 H new ATOM 0 HD11 LEU A 29 2.398 -5.259 0.765 1.00 50.44 H new ATOM 0 HD12 LEU A 29 0.654 -4.914 0.848 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.369 -5.525 -0.663 1.00 50.44 H new ATOM 0 HD21 LEU A 29 3.903 -3.783 -0.511 1.00 4.34 H new ATOM 0 HD22 LEU A 29 2.934 -3.986 -1.990 1.00 4.34 H new ATOM 0 HD23 LEU A 29 3.260 -2.355 -1.357 1.00 4.34 H new ATOM 432 N ILE A 30 -1.101 -1.631 1.815 1.00 72.20 N ATOM 433 CA ILE A 30 -1.156 -0.426 2.638 1.00 41.13 C ATOM 434 C ILE A 30 0.121 -0.258 3.453 1.00 41.14 C ATOM 435 O ILE A 30 0.527 -1.159 4.184 1.00 2.42 O ATOM 436 CB ILE A 30 -2.391 -0.410 3.569 1.00 12.14 C ATOM 437 CG1 ILE A 30 -2.899 1.035 3.735 1.00 44.24 C ATOM 438 CG2 ILE A 30 -2.064 -1.043 4.919 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.682 1.277 5.000 1.00 63.54 C ATOM 0 H ILE A 30 -1.356 -2.495 2.294 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.248 0.417 1.953 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.184 -1.005 3.116 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.045 1.712 3.715 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.526 1.288 2.880 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.948 -1.020 5.556 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.751 -2.077 4.770 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.258 -0.485 5.397 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.001 2.319 5.037 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.558 0.628 5.016 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.054 1.059 5.864 1.00 63.54 H new ATOM 451 N GLU A 31 0.754 0.899 3.311 1.00 61.25 N ATOM 452 CA GLU A 31 1.991 1.179 4.029 1.00 30.23 C ATOM 453 C GLU A 31 1.834 2.364 4.978 1.00 70.24 C ATOM 454 O GLU A 31 2.056 3.511 4.594 1.00 52.11 O ATOM 455 CB GLU A 31 3.127 1.451 3.039 1.00 53.44 C ATOM 456 CG GLU A 31 4.454 1.776 3.706 1.00 31.40 C ATOM 457 CD GLU A 31 4.680 3.268 3.857 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.095 4.040 3.068 1.00 41.43 O ATOM 459 OE2 GLU A 31 5.442 3.664 4.764 1.00 42.43 O ATOM 0 H GLU A 31 0.433 1.656 2.708 1.00 61.25 H new ATOM 0 HA GLU A 31 2.233 0.300 4.626 1.00 30.23 H new ATOM 0 HB2 GLU A 31 3.256 0.578 2.399 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.843 2.281 2.392 1.00 53.44 H new ATOM 0 HG2 GLU A 31 4.487 1.306 4.689 1.00 31.40 H new ATOM 0 HG3 GLU A 31 5.266 1.347 3.119 1.00 31.40 H new ATOM 466 N PHE A 32 1.477 2.074 6.227 1.00 61.02 N ATOM 467 CA PHE A 32 1.322 3.110 7.243 1.00 65.22 C ATOM 468 C PHE A 32 2.604 3.915 7.357 1.00 74.45 C ATOM 469 O PHE A 32 3.694 3.345 7.299 1.00 1.24 O ATOM 470 CB PHE A 32 1.007 2.487 8.601 1.00 73.53 C ATOM 471 CG PHE A 32 -0.121 1.493 8.568 1.00 44.52 C ATOM 472 CD1 PHE A 32 -1.428 1.905 8.772 1.00 34.11 C ATOM 473 CD2 PHE A 32 0.125 0.149 8.337 1.00 75.21 C ATOM 474 CE1 PHE A 32 -2.468 0.996 8.746 1.00 23.20 C ATOM 475 CE2 PHE A 32 -0.911 -0.765 8.309 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.209 -0.341 8.514 1.00 52.32 C ATOM 0 H PHE A 32 1.290 1.128 6.559 1.00 61.02 H new ATOM 0 HA PHE A 32 0.499 3.760 6.946 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.902 1.994 8.980 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.758 3.281 9.305 1.00 73.53 H new ATOM 0 HD1 PHE A 32 -1.636 2.949 8.953 1.00 34.11 H new ATOM 0 HD2 PHE A 32 1.138 -0.188 8.177 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -3.482 1.330 8.907 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -0.706 -1.810 8.127 1.00 33.35 H new ATOM 0 HZ PHE A 32 -3.020 -1.053 8.493 1.00 52.32 H new ATOM 486 N TYR A 33 2.477 5.230 7.513 1.00 41.11 N ATOM 487 CA TYR A 33 3.650 6.091 7.623 1.00 65.10 C ATOM 488 C TYR A 33 3.342 7.401 8.340 1.00 0.14 C ATOM 489 O TYR A 33 2.280 7.573 8.938 1.00 21.44 O ATOM 490 CB TYR A 33 4.197 6.402 6.231 1.00 55.23 C ATOM 491 CG TYR A 33 3.268 7.257 5.395 1.00 21.32 C ATOM 492 CD1 TYR A 33 2.140 6.713 4.796 1.00 44.32 C ATOM 493 CD2 TYR A 33 3.518 8.612 5.213 1.00 40.24 C ATOM 494 CE1 TYR A 33 1.288 7.493 4.037 1.00 24.31 C ATOM 495 CE2 TYR A 33 2.671 9.399 4.456 1.00 61.35 C ATOM 496 CZ TYR A 33 1.558 8.835 3.871 1.00 73.12 C ATOM 497 OH TYR A 33 0.711 9.615 3.117 1.00 23.25 O ATOM 0 H TYR A 33 1.583 5.718 7.566 1.00 41.11 H new ATOM 0 HA TYR A 33 4.390 5.551 8.213 1.00 65.10 H new ATOM 0 HB2 TYR A 33 5.155 6.912 6.331 1.00 55.23 H new ATOM 0 HB3 TYR A 33 4.387 5.466 5.706 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.925 5.663 4.925 1.00 44.32 H new ATOM 0 HD2 TYR A 33 4.389 9.057 5.671 1.00 40.24 H new ATOM 0 HE1 TYR A 33 0.415 7.054 3.576 1.00 24.31 H new ATOM 0 HE2 TYR A 33 2.880 10.450 4.324 1.00 61.35 H new ATOM 0 HH TYR A 33 1.043 10.537 3.100 1.00 23.25 H new ATOM 507 N ALA A 34 4.297 8.320 8.253 1.00 72.21 N ATOM 508 CA ALA A 34 4.184 9.635 8.860 1.00 21.32 C ATOM 509 C ALA A 34 4.886 10.670 7.984 1.00 43.41 C ATOM 510 O ALA A 34 5.562 10.317 7.018 1.00 1.30 O ATOM 511 CB ALA A 34 4.788 9.621 10.256 1.00 75.21 C ATOM 0 H ALA A 34 5.175 8.170 7.756 1.00 72.21 H new ATOM 0 HA ALA A 34 3.130 9.902 8.943 1.00 21.32 H new ATOM 0 HB1 ALA A 34 4.698 10.612 10.701 1.00 75.21 H new ATOM 0 HB2 ALA A 34 4.259 8.896 10.874 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.841 9.346 10.194 1.00 75.21 H new ATOM 517 N PRO A 35 4.759 11.961 8.317 1.00 54.30 N ATOM 518 CA PRO A 35 5.400 13.034 7.572 1.00 5.43 C ATOM 519 C PRO A 35 6.790 13.309 8.112 1.00 35.33 C ATOM 520 O PRO A 35 7.630 13.923 7.454 1.00 62.40 O ATOM 521 CB PRO A 35 4.475 14.209 7.848 1.00 42.25 C ATOM 522 CG PRO A 35 3.978 13.977 9.237 1.00 35.10 C ATOM 523 CD PRO A 35 4.005 12.483 9.467 1.00 41.21 C ATOM 0 HA PRO A 35 5.533 12.815 6.513 1.00 5.43 H new ATOM 0 HB2 PRO A 35 5.005 15.158 7.770 1.00 42.25 H new ATOM 0 HB3 PRO A 35 3.653 14.243 7.133 1.00 42.25 H new ATOM 0 HG2 PRO A 35 4.607 14.491 9.964 1.00 35.10 H new ATOM 0 HG3 PRO A 35 2.968 14.368 9.356 1.00 35.10 H new ATOM 0 HD2 PRO A 35 4.491 12.233 10.410 1.00 41.21 H new ATOM 0 HD3 PRO A 35 2.998 12.067 9.507 1.00 41.21 H new ATOM 531 N TRP A 36 7.008 12.840 9.330 1.00 31.21 N ATOM 532 CA TRP A 36 8.286 13.009 10.016 1.00 75.21 C ATOM 533 C TRP A 36 9.115 11.729 9.971 1.00 62.33 C ATOM 534 O TRP A 36 10.192 11.655 10.563 1.00 1.45 O ATOM 535 CB TRP A 36 8.039 13.405 11.467 1.00 52.43 C ATOM 536 CG TRP A 36 7.280 12.369 12.239 1.00 41.11 C ATOM 537 CD1 TRP A 36 5.927 12.303 12.404 1.00 21.41 C ATOM 538 CD2 TRP A 36 7.826 11.250 12.947 1.00 13.21 C ATOM 539 NE1 TRP A 36 5.596 11.207 13.163 1.00 33.33 N ATOM 540 CE2 TRP A 36 6.745 10.546 13.511 1.00 14.12 C ATOM 541 CE3 TRP A 36 9.123 10.772 13.156 1.00 31.24 C ATOM 542 CZ2 TRP A 36 6.923 9.392 14.271 1.00 12.14 C ATOM 543 CZ3 TRP A 36 9.298 9.627 13.911 1.00 62.31 C ATOM 544 CH2 TRP A 36 8.203 8.948 14.460 1.00 0.12 C ATOM 0 H TRP A 36 6.309 12.333 9.872 1.00 31.21 H new ATOM 0 HA TRP A 36 8.844 13.794 9.505 1.00 75.21 H new ATOM 0 HB2 TRP A 36 8.996 13.585 11.956 1.00 52.43 H new ATOM 0 HB3 TRP A 36 7.487 14.345 11.492 1.00 52.43 H new ATOM 0 HD1 TRP A 36 5.219 13.010 11.997 1.00 21.41 H new ATOM 0 HE1 TRP A 36 4.650 10.930 13.425 1.00 33.33 H new ATOM 0 HE3 TRP A 36 9.973 11.288 12.735 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 6.080 8.867 14.696 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 10.296 9.250 14.080 1.00 62.31 H new ATOM 0 HH2 TRP A 36 8.373 8.056 15.044 1.00 0.12 H new ATOM 555 N CYS A 37 8.604 10.722 9.276 1.00 12.21 N ATOM 556 CA CYS A 37 9.292 9.442 9.165 1.00 73.34 C ATOM 557 C CYS A 37 10.286 9.450 8.011 1.00 74.40 C ATOM 558 O CYS A 37 9.905 9.300 6.850 1.00 21.03 O ATOM 559 CB CYS A 37 8.280 8.311 8.975 1.00 61.20 C ATOM 560 SG CYS A 37 8.677 6.803 9.890 1.00 11.22 S ATOM 0 H CYS A 37 7.714 10.766 8.780 1.00 12.21 H new ATOM 0 HA CYS A 37 9.844 9.277 10.090 1.00 73.34 H new ATOM 0 HB2 CYS A 37 7.296 8.663 9.285 1.00 61.20 H new ATOM 0 HB3 CYS A 37 8.213 8.072 7.914 1.00 61.20 H new ATOM 0 HG CYS A 37 7.633 6.415 10.560 1.00 11.22 H new ATOM 566 N GLY A 38 11.563 9.617 8.337 1.00 73.01 N ATOM 567 CA GLY A 38 12.591 9.630 7.315 1.00 54.25 C ATOM 568 C GLY A 38 12.596 8.355 6.494 1.00 23.12 C ATOM 569 O GLY A 38 13.049 8.347 5.349 1.00 65.32 O ATOM 0 H GLY A 38 11.904 9.743 9.290 1.00 73.01 H new ATOM 0 HA2 GLY A 38 12.436 10.484 6.656 1.00 54.25 H new ATOM 0 HA3 GLY A 38 13.566 9.762 7.784 1.00 54.25 H new ATOM 573 N HIS A 39 12.085 7.277 7.080 1.00 2.33 N ATOM 574 CA HIS A 39 12.025 5.991 6.398 1.00 41.12 C ATOM 575 C HIS A 39 11.016 6.035 5.256 1.00 11.52 C ATOM 576 O HIS A 39 11.304 5.595 4.143 1.00 25.14 O ATOM 577 CB HIS A 39 11.650 4.883 7.384 1.00 52.33 C ATOM 578 CG HIS A 39 12.508 4.858 8.611 1.00 24.32 C ATOM 579 ND1 HIS A 39 12.552 5.692 9.677 1.00 54.12 N flip ATOM 580 CD2 HIS A 39 13.462 3.890 8.844 1.00 21.12 C flip ATOM 581 CE1 HIS A 39 13.522 5.216 10.525 1.00 22.32 C flip ATOM 582 NE2 HIS A 39 14.055 4.128 10.001 1.00 30.33 N flip ATOM 0 H HIS A 39 11.706 7.270 8.027 1.00 2.33 H new ATOM 0 HA HIS A 39 13.011 5.778 5.984 1.00 41.12 H new ATOM 0 HB2 HIS A 39 10.609 5.009 7.681 1.00 52.33 H new ATOM 0 HB3 HIS A 39 11.723 3.919 6.880 1.00 52.33 H new ATOM 0 HD2 HIS A 39 13.689 3.066 8.184 1.00 21.12 H new ATOM 0 HE1 HIS A 39 13.803 5.660 11.468 1.00 22.32 H new ATOM 0 HE2 HIS A 39 14.798 3.567 10.418 1.00 30.33 H new ATOM 591 N CYS A 40 9.832 6.575 5.536 1.00 60.23 N ATOM 592 CA CYS A 40 8.786 6.680 4.526 1.00 12.10 C ATOM 593 C CYS A 40 9.259 7.529 3.356 1.00 73.23 C ATOM 594 O CYS A 40 8.974 7.227 2.197 1.00 34.22 O ATOM 595 CB CYS A 40 7.514 7.279 5.126 1.00 63.34 C ATOM 596 SG CYS A 40 6.160 7.463 3.941 1.00 13.53 S ATOM 0 H CYS A 40 9.575 6.945 6.451 1.00 60.23 H new ATOM 0 HA CYS A 40 8.562 5.676 4.165 1.00 12.10 H new ATOM 0 HB2 CYS A 40 7.180 6.647 5.949 1.00 63.34 H new ATOM 0 HB3 CYS A 40 7.749 8.256 5.549 1.00 63.34 H new ATOM 0 HG CYS A 40 5.107 7.919 4.552 1.00 13.53 H new ATOM 602 N LYS A 41 9.989 8.588 3.671 1.00 21.23 N ATOM 603 CA LYS A 41 10.517 9.486 2.650 1.00 10.33 C ATOM 604 C LYS A 41 11.439 8.736 1.689 1.00 54.14 C ATOM 605 O LYS A 41 11.694 9.193 0.575 1.00 74.52 O ATOM 606 CB LYS A 41 11.268 10.650 3.301 1.00 51.31 C ATOM 607 CG LYS A 41 10.467 11.363 4.380 1.00 32.41 C ATOM 608 CD LYS A 41 9.346 12.198 3.783 1.00 32.30 C ATOM 609 CE LYS A 41 8.076 12.096 4.612 1.00 55.12 C ATOM 610 NZ LYS A 41 7.359 13.399 4.692 1.00 20.54 N ATOM 0 H LYS A 41 10.231 8.849 4.627 1.00 21.23 H new ATOM 0 HA LYS A 41 9.677 9.883 2.080 1.00 10.33 H new ATOM 0 HB2 LYS A 41 12.195 10.276 3.736 1.00 51.31 H new ATOM 0 HB3 LYS A 41 11.545 11.369 2.530 1.00 51.31 H new ATOM 0 HG2 LYS A 41 10.048 10.629 5.068 1.00 32.41 H new ATOM 0 HG3 LYS A 41 11.129 12.004 4.962 1.00 32.41 H new ATOM 0 HD2 LYS A 41 9.660 13.240 3.722 1.00 32.30 H new ATOM 0 HD3 LYS A 41 9.145 11.865 2.765 1.00 32.30 H new ATOM 0 HE2 LYS A 41 7.417 11.345 4.176 1.00 55.12 H new ATOM 0 HE3 LYS A 41 8.325 11.756 5.617 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 7.374 13.744 5.673 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 7.828 14.092 4.074 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 6.374 13.272 4.385 1.00 20.54 H new ATOM 624 N ALA A 42 11.918 7.573 2.121 1.00 53.53 N ATOM 625 CA ALA A 42 12.789 6.744 1.300 1.00 63.24 C ATOM 626 C ALA A 42 11.983 5.641 0.632 1.00 22.20 C ATOM 627 O ALA A 42 12.428 5.018 -0.330 1.00 35.20 O ATOM 628 CB ALA A 42 13.879 6.132 2.157 1.00 71.23 C ATOM 0 H ALA A 42 11.715 7.183 3.041 1.00 53.53 H new ATOM 0 HA ALA A 42 13.245 7.368 0.531 1.00 63.24 H new ATOM 0 HB1 ALA A 42 14.526 5.513 1.535 1.00 71.23 H new ATOM 0 HB2 ALA A 42 14.468 6.925 2.617 1.00 71.23 H new ATOM 0 HB3 ALA A 42 13.428 5.517 2.935 1.00 71.23 H new ATOM 634 N LEU A 43 10.797 5.406 1.177 1.00 3.15 N ATOM 635 CA LEU A 43 9.890 4.379 0.687 1.00 50.12 C ATOM 636 C LEU A 43 8.913 4.926 -0.355 1.00 0.15 C ATOM 637 O LEU A 43 8.149 4.179 -0.959 1.00 25.30 O ATOM 638 CB LEU A 43 9.106 3.813 1.859 1.00 20.44 C ATOM 639 CG LEU A 43 9.717 2.575 2.510 1.00 62.22 C ATOM 640 CD1 LEU A 43 10.689 2.977 3.609 1.00 75.32 C ATOM 641 CD2 LEU A 43 8.628 1.675 3.066 1.00 41.04 C ATOM 0 H LEU A 43 10.436 5.926 1.976 1.00 3.15 H new ATOM 0 HA LEU A 43 10.487 3.603 0.208 1.00 50.12 H new ATOM 0 HB2 LEU A 43 9.004 4.590 2.617 1.00 20.44 H new ATOM 0 HB3 LEU A 43 8.101 3.566 1.518 1.00 20.44 H new ATOM 0 HG LEU A 43 10.267 2.021 1.749 1.00 62.22 H new ATOM 0 HD11 LEU A 43 11.116 2.082 4.063 1.00 75.32 H new ATOM 0 HD12 LEU A 43 11.488 3.584 3.184 1.00 75.32 H new ATOM 0 HD13 LEU A 43 10.161 3.553 4.369 1.00 75.32 H new ATOM 0 HD21 LEU A 43 9.081 0.797 3.526 1.00 41.04 H new ATOM 0 HD22 LEU A 43 8.052 2.220 3.814 1.00 41.04 H new ATOM 0 HD23 LEU A 43 7.968 1.361 2.258 1.00 41.04 H new ATOM 653 N ALA A 44 8.935 6.232 -0.541 1.00 71.13 N ATOM 654 CA ALA A 44 8.054 6.899 -1.493 1.00 14.25 C ATOM 655 C ALA A 44 8.496 6.697 -2.942 1.00 34.31 C ATOM 656 O ALA A 44 7.660 6.540 -3.831 1.00 74.45 O ATOM 657 CB ALA A 44 8.011 8.379 -1.193 1.00 30.41 C ATOM 0 H ALA A 44 9.561 6.863 -0.040 1.00 71.13 H new ATOM 0 HA ALA A 44 7.066 6.453 -1.382 1.00 14.25 H new ATOM 0 HB1 ALA A 44 7.352 8.876 -1.905 1.00 30.41 H new ATOM 0 HB2 ALA A 44 7.635 8.534 -0.182 1.00 30.41 H new ATOM 0 HB3 ALA A 44 9.015 8.796 -1.275 1.00 30.41 H new ATOM 663 N PRO A 45 9.814 6.704 -3.207 1.00 75.14 N ATOM 664 CA PRO A 45 10.333 6.525 -4.563 1.00 70.44 C ATOM 665 C PRO A 45 9.829 5.241 -5.178 1.00 62.41 C ATOM 666 O PRO A 45 9.529 5.170 -6.370 1.00 14.35 O ATOM 667 CB PRO A 45 11.845 6.445 -4.386 1.00 11.31 C ATOM 668 CG PRO A 45 12.138 6.988 -3.031 1.00 74.31 C ATOM 669 CD PRO A 45 10.884 6.875 -2.214 1.00 42.31 C ATOM 0 HA PRO A 45 10.018 7.334 -5.222 1.00 70.44 H new ATOM 0 HB2 PRO A 45 12.193 5.416 -4.476 1.00 11.31 H new ATOM 0 HB3 PRO A 45 12.357 7.023 -5.155 1.00 11.31 H new ATOM 0 HG2 PRO A 45 12.951 6.432 -2.563 1.00 74.31 H new ATOM 0 HG3 PRO A 45 12.459 8.027 -3.097 1.00 74.31 H new ATOM 0 HD2 PRO A 45 10.930 6.027 -1.530 1.00 42.31 H new ATOM 0 HD3 PRO A 45 10.724 7.766 -1.607 1.00 42.31 H new ATOM 677 N LYS A 46 9.728 4.233 -4.336 1.00 20.24 N ATOM 678 CA LYS A 46 9.239 2.924 -4.765 1.00 25.04 C ATOM 679 C LYS A 46 7.730 2.938 -4.813 1.00 42.02 C ATOM 680 O LYS A 46 7.111 2.208 -5.572 1.00 64.24 O ATOM 681 CB LYS A 46 9.680 1.827 -3.794 1.00 30.13 C ATOM 682 CG LYS A 46 8.928 1.893 -2.471 1.00 4.35 C ATOM 683 CD LYS A 46 9.782 1.610 -1.243 1.00 52.40 C ATOM 684 CE LYS A 46 11.257 1.951 -1.435 1.00 65.44 C ATOM 685 NZ LYS A 46 11.458 3.343 -1.921 1.00 23.32 N ATOM 0 H LYS A 46 9.976 4.288 -3.348 1.00 20.24 H new ATOM 0 HA LYS A 46 9.654 2.717 -5.752 1.00 25.04 H new ATOM 0 HB2 LYS A 46 9.519 0.852 -4.253 1.00 30.13 H new ATOM 0 HB3 LYS A 46 10.750 1.919 -3.607 1.00 30.13 H new ATOM 0 HG2 LYS A 46 8.485 2.884 -2.369 1.00 4.35 H new ATOM 0 HG3 LYS A 46 8.106 1.177 -2.499 1.00 4.35 H new ATOM 0 HD2 LYS A 46 9.392 2.181 -0.400 1.00 52.40 H new ATOM 0 HD3 LYS A 46 9.692 0.555 -0.983 1.00 52.40 H new ATOM 0 HE2 LYS A 46 11.784 1.819 -0.490 1.00 65.44 H new ATOM 0 HE3 LYS A 46 11.699 1.253 -2.146 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 11.743 3.324 -2.921 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 10.570 3.876 -1.824 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 12.201 3.803 -1.358 1.00 23.32 H new ATOM 699 N TYR A 47 7.147 3.759 -3.967 1.00 61.23 N ATOM 700 CA TYR A 47 5.709 3.849 -3.881 1.00 23.14 C ATOM 701 C TYR A 47 5.127 4.627 -5.052 1.00 2.14 C ATOM 702 O TYR A 47 3.999 4.374 -5.475 1.00 1.03 O ATOM 703 CB TYR A 47 5.318 4.464 -2.544 1.00 43.44 C ATOM 704 CG TYR A 47 4.475 3.535 -1.715 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.971 2.303 -1.322 1.00 74.31 C ATOM 706 CD2 TYR A 47 3.186 3.878 -1.343 1.00 32.01 C ATOM 707 CE1 TYR A 47 4.206 1.434 -0.573 1.00 13.43 C ATOM 708 CE2 TYR A 47 2.410 3.015 -0.596 1.00 25.32 C ATOM 709 CZ TYR A 47 2.925 1.793 -0.212 1.00 43.13 C ATOM 710 OH TYR A 47 2.157 0.928 0.532 1.00 24.45 O ATOM 0 H TYR A 47 7.650 4.375 -3.328 1.00 61.23 H new ATOM 0 HA TYR A 47 5.289 2.845 -3.939 1.00 23.14 H new ATOM 0 HB2 TYR A 47 6.219 4.726 -1.989 1.00 43.44 H new ATOM 0 HB3 TYR A 47 4.770 5.390 -2.719 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.973 2.018 -1.607 1.00 74.31 H new ATOM 0 HD2 TYR A 47 2.782 4.834 -1.642 1.00 32.01 H new ATOM 0 HE1 TYR A 47 4.608 0.478 -0.271 1.00 13.43 H new ATOM 0 HE2 TYR A 47 1.406 3.294 -0.313 1.00 25.32 H new ATOM 0 HH TYR A 47 1.232 0.950 0.208 1.00 24.45 H new ATOM 720 N GLU A 48 5.905 5.553 -5.593 1.00 24.14 N ATOM 721 CA GLU A 48 5.459 6.338 -6.734 1.00 22.24 C ATOM 722 C GLU A 48 5.851 5.648 -8.034 1.00 54.31 C ATOM 723 O GLU A 48 5.151 5.752 -9.038 1.00 22.41 O ATOM 724 CB GLU A 48 6.057 7.744 -6.690 1.00 13.13 C ATOM 725 CG GLU A 48 5.335 8.684 -5.739 1.00 10.32 C ATOM 726 CD GLU A 48 5.552 10.144 -6.085 1.00 51.13 C ATOM 727 OE1 GLU A 48 4.892 10.636 -7.024 1.00 52.11 O ATOM 728 OE2 GLU A 48 6.381 10.796 -5.416 1.00 72.33 O ATOM 0 H GLU A 48 6.843 5.778 -5.262 1.00 24.14 H new ATOM 0 HA GLU A 48 4.373 6.421 -6.688 1.00 22.24 H new ATOM 0 HB2 GLU A 48 7.104 7.675 -6.394 1.00 13.13 H new ATOM 0 HB3 GLU A 48 6.037 8.170 -7.693 1.00 13.13 H new ATOM 0 HG2 GLU A 48 4.267 8.465 -5.758 1.00 10.32 H new ATOM 0 HG3 GLU A 48 5.680 8.501 -4.721 1.00 10.32 H new ATOM 735 N GLU A 49 6.970 4.932 -8.001 1.00 54.44 N ATOM 736 CA GLU A 49 7.456 4.215 -9.173 1.00 42.11 C ATOM 737 C GLU A 49 6.755 2.872 -9.299 1.00 51.34 C ATOM 738 O GLU A 49 6.433 2.426 -10.398 1.00 33.31 O ATOM 739 CB GLU A 49 8.969 4.010 -9.083 1.00 61.51 C ATOM 740 CG GLU A 49 9.774 5.241 -9.466 1.00 11.24 C ATOM 741 CD GLU A 49 10.264 5.194 -10.900 1.00 61.31 C ATOM 742 OE1 GLU A 49 10.679 4.106 -11.350 1.00 22.31 O ATOM 743 OE2 GLU A 49 10.233 6.246 -11.572 1.00 30.35 O ATOM 0 H GLU A 49 7.558 4.833 -7.173 1.00 54.44 H new ATOM 0 HA GLU A 49 7.235 4.811 -10.058 1.00 42.11 H new ATOM 0 HB2 GLU A 49 9.228 3.719 -8.065 1.00 61.51 H new ATOM 0 HB3 GLU A 49 9.254 3.183 -9.733 1.00 61.51 H new ATOM 0 HG2 GLU A 49 9.160 6.131 -9.325 1.00 11.24 H new ATOM 0 HG3 GLU A 49 10.629 5.334 -8.797 1.00 11.24 H new ATOM 750 N LEU A 50 6.498 2.246 -8.160 1.00 55.33 N ATOM 751 CA LEU A 50 5.813 0.969 -8.126 1.00 62.33 C ATOM 752 C LEU A 50 4.329 1.224 -8.159 1.00 53.01 C ATOM 753 O LEU A 50 3.576 0.569 -8.878 1.00 72.22 O ATOM 754 CB LEU A 50 6.185 0.227 -6.850 1.00 53.34 C ATOM 755 CG LEU A 50 5.947 -1.287 -6.856 1.00 31.31 C ATOM 756 CD1 LEU A 50 4.471 -1.601 -6.670 1.00 73.44 C ATOM 757 CD2 LEU A 50 6.468 -1.911 -8.143 1.00 32.53 C ATOM 0 H LEU A 50 6.757 2.608 -7.242 1.00 55.33 H new ATOM 0 HA LEU A 50 6.103 0.361 -8.983 1.00 62.33 H new ATOM 0 HB2 LEU A 50 7.240 0.408 -6.643 1.00 53.34 H new ATOM 0 HB3 LEU A 50 5.620 0.660 -6.024 1.00 53.34 H new ATOM 0 HG LEU A 50 6.497 -1.719 -6.020 1.00 31.31 H new ATOM 0 HD11 LEU A 50 4.325 -2.681 -6.677 1.00 73.44 H new ATOM 0 HD12 LEU A 50 4.130 -1.195 -5.718 1.00 73.44 H new ATOM 0 HD13 LEU A 50 3.898 -1.152 -7.482 1.00 73.44 H new ATOM 0 HD21 LEU A 50 6.288 -2.986 -8.125 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.951 -1.471 -8.996 1.00 32.53 H new ATOM 0 HD23 LEU A 50 7.538 -1.724 -8.231 1.00 32.53 H new ATOM 769 N GLY A 51 3.928 2.211 -7.377 1.00 23.21 N ATOM 770 CA GLY A 51 2.536 2.587 -7.322 1.00 32.42 C ATOM 771 C GLY A 51 2.038 3.039 -8.663 1.00 21.41 C ATOM 772 O GLY A 51 0.913 2.740 -9.062 1.00 20.22 O ATOM 0 H GLY A 51 4.545 2.760 -6.778 1.00 23.21 H new ATOM 0 HA2 GLY A 51 1.942 1.740 -6.978 1.00 32.42 H new ATOM 0 HA3 GLY A 51 2.402 3.387 -6.594 1.00 32.42 H new ATOM 776 N ALA A 52 2.897 3.751 -9.365 1.00 74.32 N ATOM 777 CA ALA A 52 2.577 4.243 -10.685 1.00 34.41 C ATOM 778 C ALA A 52 2.536 3.082 -11.658 1.00 53.51 C ATOM 779 O ALA A 52 1.591 2.928 -12.428 1.00 24.53 O ATOM 780 CB ALA A 52 3.601 5.278 -11.106 1.00 21.31 C ATOM 0 H ALA A 52 3.830 4.002 -9.037 1.00 74.32 H new ATOM 0 HA ALA A 52 1.597 4.720 -10.678 1.00 34.41 H new ATOM 0 HB1 ALA A 52 3.357 5.647 -12.102 1.00 21.31 H new ATOM 0 HB2 ALA A 52 3.592 6.108 -10.399 1.00 21.31 H new ATOM 0 HB3 ALA A 52 4.592 4.825 -11.120 1.00 21.31 H new ATOM 786 N LEU A 53 3.555 2.240 -11.592 1.00 5.04 N ATOM 787 CA LEU A 53 3.611 1.074 -12.453 1.00 63.21 C ATOM 788 C LEU A 53 2.453 0.139 -12.134 1.00 15.14 C ATOM 789 O LEU A 53 1.953 -0.567 -13.007 1.00 42.51 O ATOM 790 CB LEU A 53 4.943 0.345 -12.286 1.00 31.14 C ATOM 791 CG LEU A 53 6.164 1.121 -12.775 1.00 72.33 C ATOM 792 CD1 LEU A 53 7.429 0.585 -12.125 1.00 21.32 C ATOM 793 CD2 LEU A 53 6.266 1.049 -14.290 1.00 32.33 C ATOM 0 H LEU A 53 4.347 2.342 -10.957 1.00 5.04 H new ATOM 0 HA LEU A 53 3.529 1.401 -13.490 1.00 63.21 H new ATOM 0 HB2 LEU A 53 5.080 0.106 -11.231 1.00 31.14 H new ATOM 0 HB3 LEU A 53 4.893 -0.602 -12.824 1.00 31.14 H new ATOM 0 HG LEU A 53 6.049 2.166 -12.489 1.00 72.33 H new ATOM 0 HD11 LEU A 53 8.290 1.149 -12.484 1.00 21.32 H new ATOM 0 HD12 LEU A 53 7.354 0.688 -11.043 1.00 21.32 H new ATOM 0 HD13 LEU A 53 7.552 -0.467 -12.381 1.00 21.32 H new ATOM 0 HD21 LEU A 53 7.141 1.607 -14.623 1.00 32.33 H new ATOM 0 HD22 LEU A 53 6.360 0.008 -14.599 1.00 32.33 H new ATOM 0 HD23 LEU A 53 5.370 1.480 -14.736 1.00 32.33 H new ATOM 805 N TYR A 54 2.019 0.149 -10.877 1.00 1.54 N ATOM 806 CA TYR A 54 0.910 -0.693 -10.453 1.00 34.11 C ATOM 807 C TYR A 54 -0.427 -0.035 -10.781 1.00 70.15 C ATOM 808 O TYR A 54 -1.436 -0.719 -10.945 1.00 54.54 O ATOM 809 CB TYR A 54 0.995 -0.985 -8.952 1.00 11.35 C ATOM 810 CG TYR A 54 1.670 -2.298 -8.628 1.00 31.32 C ATOM 811 CD1 TYR A 54 2.913 -2.613 -9.164 1.00 13.35 C ATOM 812 CD2 TYR A 54 1.065 -3.223 -7.787 1.00 14.11 C ATOM 813 CE1 TYR A 54 3.533 -3.812 -8.871 1.00 12.41 C ATOM 814 CE2 TYR A 54 1.680 -4.424 -7.488 1.00 11.43 C ATOM 815 CZ TYR A 54 2.912 -4.714 -8.033 1.00 43.43 C ATOM 816 OH TYR A 54 3.526 -5.909 -7.738 1.00 74.34 O ATOM 0 H TYR A 54 2.418 0.729 -10.139 1.00 1.54 H new ATOM 0 HA TYR A 54 0.978 -1.635 -10.998 1.00 34.11 H new ATOM 0 HB2 TYR A 54 1.539 -0.176 -8.463 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -0.012 -0.991 -8.534 1.00 11.35 H new ATOM 0 HD1 TYR A 54 3.402 -1.909 -9.820 1.00 13.35 H new ATOM 0 HD2 TYR A 54 0.098 -3.000 -7.360 1.00 14.11 H new ATOM 0 HE1 TYR A 54 4.499 -4.042 -9.296 1.00 12.41 H new ATOM 0 HE2 TYR A 54 1.197 -5.132 -6.830 1.00 11.43 H new ATOM 0 HH TYR A 54 2.999 -6.648 -8.109 1.00 74.34 H new ATOM 826 N ALA A 55 -0.431 1.295 -10.865 1.00 21.21 N ATOM 827 CA ALA A 55 -1.653 2.037 -11.166 1.00 3.44 C ATOM 828 C ALA A 55 -1.616 2.668 -12.562 1.00 5.13 C ATOM 829 O ALA A 55 -2.401 3.568 -12.860 1.00 74.31 O ATOM 830 CB ALA A 55 -1.884 3.110 -10.113 1.00 34.11 C ATOM 0 H ALA A 55 0.395 1.878 -10.729 1.00 21.21 H new ATOM 0 HA ALA A 55 -2.479 1.326 -11.151 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -2.797 3.658 -10.346 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -1.981 2.643 -9.133 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -1.040 3.799 -10.105 1.00 34.11 H new ATOM 836 N LYS A 56 -0.704 2.201 -13.414 1.00 4.24 N ATOM 837 CA LYS A 56 -0.580 2.738 -14.770 1.00 4.42 C ATOM 838 C LYS A 56 -0.294 1.634 -15.789 1.00 44.15 C ATOM 839 O LYS A 56 -0.834 1.648 -16.895 1.00 51.42 O ATOM 840 CB LYS A 56 0.528 3.793 -14.827 1.00 22.22 C ATOM 841 CG LYS A 56 0.172 5.005 -15.671 1.00 10.21 C ATOM 842 CD LYS A 56 1.109 6.171 -15.395 1.00 4.24 C ATOM 843 CE LYS A 56 1.061 6.593 -13.934 1.00 65.32 C ATOM 844 NZ LYS A 56 1.658 7.941 -13.726 1.00 32.21 N ATOM 0 H LYS A 56 -0.043 1.456 -13.192 1.00 4.24 H new ATOM 0 HA LYS A 56 -1.533 3.199 -15.027 1.00 4.42 H new ATOM 0 HB2 LYS A 56 0.758 4.122 -13.813 1.00 22.22 H new ATOM 0 HB3 LYS A 56 1.433 3.336 -15.227 1.00 22.22 H new ATOM 0 HG2 LYS A 56 0.220 4.741 -16.727 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -0.855 5.305 -15.464 1.00 10.21 H new ATOM 0 HD2 LYS A 56 2.128 5.890 -15.660 1.00 4.24 H new ATOM 0 HD3 LYS A 56 0.836 7.016 -16.028 1.00 4.24 H new ATOM 0 HE2 LYS A 56 0.026 6.597 -13.591 1.00 65.32 H new ATOM 0 HE3 LYS A 56 1.595 5.862 -13.327 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 1.606 8.192 -12.718 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 2.653 7.931 -14.029 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 1.133 8.643 -14.285 1.00 32.21 H new ATOM 858 N SER A 57 0.563 0.686 -15.416 1.00 21.53 N ATOM 859 CA SER A 57 0.922 -0.418 -16.304 1.00 44.53 C ATOM 860 C SER A 57 -0.315 -1.196 -16.746 1.00 60.45 C ATOM 861 O SER A 57 -1.439 -0.702 -16.655 1.00 54.40 O ATOM 862 CB SER A 57 1.897 -1.363 -15.600 1.00 10.34 C ATOM 863 OG SER A 57 1.221 -2.191 -14.669 1.00 42.20 O ATOM 0 H SER A 57 1.022 0.660 -14.505 1.00 21.53 H new ATOM 0 HA SER A 57 1.398 0.005 -17.189 1.00 44.53 H new ATOM 0 HB2 SER A 57 2.407 -1.982 -16.339 1.00 10.34 H new ATOM 0 HB3 SER A 57 2.664 -0.783 -15.086 1.00 10.34 H new ATOM 0 HG SER A 57 1.293 -1.802 -13.772 1.00 42.20 H new ATOM 869 N GLU A 58 -0.102 -2.426 -17.211 1.00 55.23 N ATOM 870 CA GLU A 58 -1.199 -3.279 -17.649 1.00 22.24 C ATOM 871 C GLU A 58 -1.936 -3.881 -16.452 1.00 31.15 C ATOM 872 O GLU A 58 -2.771 -4.771 -16.612 1.00 31.23 O ATOM 873 CB GLU A 58 -0.673 -4.396 -18.553 1.00 12.33 C ATOM 874 CG GLU A 58 0.311 -3.913 -19.606 1.00 25.21 C ATOM 875 CD GLU A 58 0.547 -4.940 -20.697 1.00 5.30 C ATOM 876 OE1 GLU A 58 -0.421 -5.627 -21.085 1.00 24.30 O ATOM 877 OE2 GLU A 58 1.699 -5.056 -21.163 1.00 25.24 O ATOM 0 H GLU A 58 0.821 -2.852 -17.293 1.00 55.23 H new ATOM 0 HA GLU A 58 -1.901 -2.664 -18.212 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -0.190 -5.154 -17.936 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -1.516 -4.878 -19.049 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -0.064 -2.992 -20.053 1.00 25.21 H new ATOM 0 HG3 GLU A 58 1.260 -3.672 -19.128 1.00 25.21 H new ATOM 884 N PHE A 59 -1.634 -3.380 -15.254 1.00 74.45 N ATOM 885 CA PHE A 59 -2.278 -3.857 -14.038 1.00 21.52 C ATOM 886 C PHE A 59 -2.819 -2.678 -13.240 1.00 53.04 C ATOM 887 O PHE A 59 -3.164 -2.810 -12.065 1.00 13.31 O ATOM 888 CB PHE A 59 -1.298 -4.660 -13.179 1.00 12.03 C ATOM 889 CG PHE A 59 -0.318 -5.474 -13.977 1.00 35.24 C ATOM 890 CD1 PHE A 59 -0.721 -6.636 -14.615 1.00 63.25 C ATOM 891 CD2 PHE A 59 1.004 -5.075 -14.089 1.00 22.34 C ATOM 892 CE1 PHE A 59 0.178 -7.387 -15.349 1.00 73.00 C ATOM 893 CE2 PHE A 59 1.907 -5.822 -14.822 1.00 44.50 C ATOM 894 CZ PHE A 59 1.493 -6.979 -15.453 1.00 33.14 C ATOM 0 H PHE A 59 -0.946 -2.643 -15.103 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.102 -4.511 -14.322 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -0.747 -3.974 -12.535 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -1.863 -5.326 -12.526 1.00 12.03 H new ATOM 0 HD1 PHE A 59 -1.749 -6.959 -14.538 1.00 63.25 H new ATOM 0 HD2 PHE A 59 1.333 -4.171 -13.598 1.00 22.34 H new ATOM 0 HE1 PHE A 59 -0.148 -8.292 -15.841 1.00 73.00 H new ATOM 0 HE2 PHE A 59 2.935 -5.501 -14.901 1.00 44.50 H new ATOM 0 HZ PHE A 59 2.197 -7.564 -16.027 1.00 33.14 H new ATOM 904 N LYS A 60 -2.892 -1.523 -13.895 1.00 35.11 N ATOM 905 CA LYS A 60 -3.390 -0.309 -13.270 1.00 12.50 C ATOM 906 C LYS A 60 -4.802 -0.516 -12.727 1.00 53.32 C ATOM 907 O LYS A 60 -5.246 0.203 -11.832 1.00 1.45 O ATOM 908 CB LYS A 60 -3.370 0.829 -14.283 1.00 4.42 C ATOM 909 CG LYS A 60 -4.180 0.534 -15.530 1.00 41.52 C ATOM 910 CD LYS A 60 -4.704 1.809 -16.172 1.00 11.45 C ATOM 911 CE LYS A 60 -4.623 1.743 -17.688 1.00 63.33 C ATOM 912 NZ LYS A 60 -3.401 2.417 -18.209 1.00 32.12 N ATOM 0 H LYS A 60 -2.609 -1.406 -14.868 1.00 35.11 H new ATOM 0 HA LYS A 60 -2.744 -0.055 -12.430 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -3.757 1.733 -13.812 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -2.338 1.035 -14.568 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -3.562 -0.007 -16.246 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -5.017 -0.116 -15.276 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -5.738 1.972 -15.869 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -4.128 2.662 -15.813 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -4.626 0.701 -18.007 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -5.508 2.211 -18.120 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -3.284 2.193 -19.218 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -3.495 3.446 -18.092 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -2.569 2.083 -17.682 1.00 32.12 H new ATOM 926 N ASP A 61 -5.492 -1.520 -13.260 1.00 63.52 N ATOM 927 CA ASP A 61 -6.842 -1.845 -12.815 1.00 24.02 C ATOM 928 C ASP A 61 -6.812 -3.106 -11.958 1.00 52.43 C ATOM 929 O ASP A 61 -7.846 -3.713 -11.677 1.00 2.45 O ATOM 930 CB ASP A 61 -7.769 -2.046 -14.016 1.00 61.12 C ATOM 931 CG ASP A 61 -9.161 -1.498 -13.770 1.00 13.52 C ATOM 932 OD1 ASP A 61 -9.528 -1.317 -12.590 1.00 30.32 O ATOM 933 OD2 ASP A 61 -9.884 -1.249 -14.758 1.00 23.44 O ATOM 0 H ASP A 61 -5.137 -2.123 -14.002 1.00 63.52 H new ATOM 0 HA ASP A 61 -7.225 -1.016 -12.220 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -7.338 -1.557 -14.890 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -7.836 -3.109 -14.246 1.00 61.12 H new ATOM 938 N ARG A 62 -5.605 -3.489 -11.554 1.00 74.15 N ATOM 939 CA ARG A 62 -5.388 -4.669 -10.737 1.00 30.21 C ATOM 940 C ARG A 62 -4.882 -4.256 -9.353 1.00 43.41 C ATOM 941 O ARG A 62 -5.332 -3.251 -8.804 1.00 13.43 O ATOM 942 CB ARG A 62 -4.389 -5.591 -11.439 1.00 63.22 C ATOM 943 CG ARG A 62 -4.587 -7.062 -11.119 1.00 63.51 C ATOM 944 CD ARG A 62 -3.285 -7.838 -11.227 1.00 55.34 C ATOM 945 NE ARG A 62 -3.484 -9.161 -11.813 1.00 33.12 N ATOM 946 CZ ARG A 62 -2.490 -9.963 -12.187 1.00 32.42 C ATOM 947 NH1 ARG A 62 -1.227 -9.580 -12.041 1.00 51.31 N ATOM 948 NH2 ARG A 62 -2.758 -11.152 -12.709 1.00 30.32 N ATOM 0 H ARG A 62 -4.749 -2.985 -11.787 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.326 -5.209 -10.605 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.472 -5.448 -12.516 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.378 -5.299 -11.155 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.990 -7.165 -10.111 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.323 -7.488 -11.801 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -2.577 -7.275 -11.835 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -2.842 -7.943 -10.237 1.00 55.34 H new ATOM 0 HE ARG A 62 -4.441 -9.489 -11.943 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -1.014 -8.667 -11.640 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -0.470 -10.199 -12.330 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -3.726 -11.452 -12.824 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -1.996 -11.767 -12.996 1.00 30.32 H new ATOM 962 N VAL A 63 -3.944 -5.020 -8.789 1.00 5.03 N ATOM 963 CA VAL A 63 -3.394 -4.701 -7.477 1.00 24.54 C ATOM 964 C VAL A 63 -2.980 -3.235 -7.420 1.00 43.11 C ATOM 965 O VAL A 63 -2.339 -2.725 -8.338 1.00 13.12 O ATOM 966 CB VAL A 63 -2.173 -5.587 -7.155 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.149 -5.505 -8.274 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.545 -5.198 -5.822 1.00 23.12 C ATOM 0 H VAL A 63 -3.554 -5.858 -9.220 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.171 -4.892 -6.737 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.517 -6.618 -7.072 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.294 -6.136 -8.031 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.600 -5.847 -9.206 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -0.818 -4.473 -8.389 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.687 -5.840 -5.623 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.219 -4.159 -5.863 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -2.280 -5.316 -5.025 1.00 23.12 H new ATOM 978 N VAL A 64 -3.362 -2.560 -6.345 1.00 64.12 N ATOM 979 CA VAL A 64 -3.040 -1.152 -6.185 1.00 33.20 C ATOM 980 C VAL A 64 -2.178 -0.907 -4.953 1.00 54.35 C ATOM 981 O VAL A 64 -2.388 -1.510 -3.901 1.00 2.41 O ATOM 982 CB VAL A 64 -4.318 -0.298 -6.078 1.00 61.33 C ATOM 983 CG1 VAL A 64 -3.972 1.168 -5.865 1.00 71.13 C ATOM 984 CG2 VAL A 64 -5.184 -0.477 -7.315 1.00 23.14 C ATOM 0 H VAL A 64 -3.893 -2.964 -5.574 1.00 64.12 H new ATOM 0 HA VAL A 64 -2.479 -0.859 -7.073 1.00 33.20 H new ATOM 0 HB VAL A 64 -4.886 -0.638 -5.212 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -4.890 1.752 -5.792 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -3.399 1.277 -4.944 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -3.379 1.528 -6.706 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -6.082 0.134 -7.222 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -4.625 -0.168 -8.198 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -5.466 -1.525 -7.413 1.00 23.14 H new ATOM 994 N ILE A 65 -1.221 0.002 -5.090 1.00 53.13 N ATOM 995 CA ILE A 65 -0.337 0.358 -3.992 1.00 64.23 C ATOM 996 C ILE A 65 -0.979 1.454 -3.153 1.00 64.25 C ATOM 997 O ILE A 65 -1.190 2.564 -3.634 1.00 74.41 O ATOM 998 CB ILE A 65 1.030 0.839 -4.521 1.00 34.00 C ATOM 999 CG1 ILE A 65 1.638 -0.215 -5.450 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.978 1.151 -3.374 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.606 -1.620 -4.883 1.00 24.43 C ATOM 0 H ILE A 65 -1.038 0.508 -5.957 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.175 -0.527 -3.377 1.00 64.23 H new ATOM 0 HB ILE A 65 0.875 1.757 -5.087 1.00 34.00 H new ATOM 0 HG12 ILE A 65 1.101 -0.203 -6.398 1.00 43.52 H new ATOM 0 HG13 ILE A 65 2.671 0.057 -5.666 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.934 1.488 -3.774 1.00 13.14 H new ATOM 0 HG22 ILE A 65 1.549 1.935 -2.750 1.00 13.14 H new ATOM 0 HG23 ILE A 65 2.131 0.254 -2.774 1.00 13.14 H new ATOM 0 HD11 ILE A 65 2.054 -2.311 -5.597 1.00 24.43 H new ATOM 0 HD12 ILE A 65 2.168 -1.649 -3.949 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.573 -1.913 -4.694 1.00 24.43 H new ATOM 1013 N ALA A 66 -1.319 1.132 -1.909 1.00 64.35 N ATOM 1014 CA ALA A 66 -1.970 2.101 -1.027 1.00 14.51 C ATOM 1015 C ALA A 66 -1.110 2.473 0.180 1.00 73.12 C ATOM 1016 O ALA A 66 -0.110 1.823 0.482 1.00 3.24 O ATOM 1017 CB ALA A 66 -3.315 1.561 -0.563 1.00 0.23 C ATOM 0 H ALA A 66 -1.157 0.216 -1.489 1.00 64.35 H new ATOM 0 HA ALA A 66 -2.116 3.012 -1.607 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -3.793 2.289 0.093 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -3.952 1.379 -1.428 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.165 0.627 -0.021 1.00 0.23 H new ATOM 1023 N LYS A 67 -1.526 3.526 0.876 1.00 1.20 N ATOM 1024 CA LYS A 67 -0.817 3.995 2.061 1.00 52.23 C ATOM 1025 C LYS A 67 -1.738 4.827 2.938 1.00 31.31 C ATOM 1026 O LYS A 67 -2.779 5.301 2.488 1.00 24.30 O ATOM 1027 CB LYS A 67 0.421 4.811 1.678 1.00 44.25 C ATOM 1028 CG LYS A 67 0.173 5.826 0.575 1.00 70.43 C ATOM 1029 CD LYS A 67 1.470 6.465 0.103 1.00 21.32 C ATOM 1030 CE LYS A 67 1.705 7.811 0.771 1.00 75.00 C ATOM 1031 NZ LYS A 67 3.099 7.944 1.277 1.00 23.24 N ATOM 0 H LYS A 67 -2.354 4.073 0.639 1.00 1.20 H new ATOM 0 HA LYS A 67 -0.489 3.119 2.621 1.00 52.23 H new ATOM 0 HB2 LYS A 67 0.788 5.332 2.562 1.00 44.25 H new ATOM 0 HB3 LYS A 67 1.209 4.129 1.360 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -0.320 5.338 -0.266 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -0.504 6.600 0.937 1.00 70.43 H new ATOM 0 HD2 LYS A 67 2.305 5.799 0.321 1.00 21.32 H new ATOM 0 HD3 LYS A 67 1.440 6.595 -0.979 1.00 21.32 H new ATOM 0 HE2 LYS A 67 1.499 8.610 0.059 1.00 75.00 H new ATOM 0 HE3 LYS A 67 1.005 7.933 1.598 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 3.081 8.279 2.261 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 3.573 7.019 1.235 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 3.618 8.626 0.689 1.00 23.24 H new ATOM 1045 N VAL A 68 -1.356 4.992 4.195 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.160 5.757 5.134 1.00 72.45 C ATOM 1047 C VAL A 68 -1.288 6.441 6.179 1.00 32.14 C ATOM 1048 O VAL A 68 -0.257 5.908 6.590 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.179 4.851 5.849 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -2.457 3.812 6.695 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.134 5.674 6.701 1.00 51.14 C ATOM 0 H VAL A 68 -0.497 4.607 4.587 1.00 11.03 H new ATOM 0 HA VAL A 68 -2.689 6.516 4.558 1.00 72.45 H new ATOM 0 HB VAL A 68 -3.769 4.333 5.093 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.189 3.178 7.195 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -1.823 3.199 6.055 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -1.842 4.314 7.441 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -4.844 5.011 7.196 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -3.568 6.225 7.452 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -4.675 6.376 6.066 1.00 51.14 H new ATOM 1061 N ASP A 69 -1.717 7.618 6.614 1.00 50.51 N ATOM 1062 CA ASP A 69 -0.985 8.367 7.624 1.00 43.22 C ATOM 1063 C ASP A 69 -1.355 7.868 9.015 1.00 5.23 C ATOM 1064 O ASP A 69 -2.402 8.222 9.557 1.00 5.32 O ATOM 1065 CB ASP A 69 -1.278 9.863 7.502 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.027 10.709 7.640 1.00 4.11 C ATOM 1067 OD1 ASP A 69 0.818 10.383 8.500 1.00 53.31 O ATOM 1068 OD2 ASP A 69 0.107 11.697 6.888 1.00 42.00 O ATOM 0 H ASP A 69 -2.567 8.074 6.283 1.00 50.51 H new ATOM 0 HA ASP A 69 0.082 8.212 7.466 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -1.743 10.062 6.537 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -1.997 10.154 8.268 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.492 7.034 9.580 1.00 52.42 N ATOM 1074 CA ALA A 70 -0.724 6.466 10.904 1.00 24.21 C ATOM 1075 C ALA A 70 -0.648 7.526 12.000 1.00 22.35 C ATOM 1076 O ALA A 70 -0.993 7.264 13.153 1.00 53.45 O ATOM 1077 CB ALA A 70 0.282 5.362 11.176 1.00 61.12 C ATOM 0 H ALA A 70 0.379 6.734 9.141 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.733 6.053 10.916 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.103 4.942 12.166 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.175 4.579 10.425 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.292 5.771 11.132 1.00 61.12 H new ATOM 1083 N THR A 71 -0.189 8.716 11.639 1.00 42.24 N ATOM 1084 CA THR A 71 -0.059 9.810 12.596 1.00 3.43 C ATOM 1085 C THR A 71 -1.021 10.949 12.279 1.00 33.43 C ATOM 1086 O THR A 71 -1.216 11.853 13.091 1.00 51.01 O ATOM 1087 CB THR A 71 1.373 10.331 12.587 1.00 25.35 C ATOM 1088 OG1 THR A 71 1.497 11.483 13.403 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.862 10.689 11.202 1.00 30.12 C ATOM 0 H THR A 71 0.100 8.950 10.689 1.00 42.24 H new ATOM 0 HA THR A 71 -0.308 9.424 13.584 1.00 3.43 H new ATOM 0 HB THR A 71 1.983 9.514 12.973 1.00 25.35 H new ATOM 0 HG1 THR A 71 0.605 11.814 13.640 1.00 70.43 H new ATOM 0 HG21 THR A 71 2.888 11.054 11.261 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.827 9.806 10.564 1.00 30.12 H new ATOM 0 HG23 THR A 71 1.224 11.466 10.781 1.00 30.12 H new ATOM 1097 N ALA A 72 -1.620 10.902 11.096 1.00 0.30 N ATOM 1098 CA ALA A 72 -2.560 11.928 10.675 1.00 75.21 C ATOM 1099 C ALA A 72 -3.979 11.377 10.628 1.00 45.34 C ATOM 1100 O ALA A 72 -4.949 12.133 10.578 1.00 45.33 O ATOM 1101 CB ALA A 72 -2.159 12.476 9.315 1.00 51.24 C ATOM 0 H ALA A 72 -1.470 10.162 10.411 1.00 0.30 H new ATOM 0 HA ALA A 72 -2.536 12.738 11.404 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -2.869 13.244 9.008 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -1.161 12.909 9.377 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -2.159 11.668 8.583 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.090 10.054 10.639 1.00 1.30 N ATOM 1108 CA ASN A 73 -5.384 9.395 10.591 1.00 2.25 C ATOM 1109 C ASN A 73 -5.503 8.346 11.691 1.00 71.03 C ATOM 1110 O ASN A 73 -4.671 7.445 11.796 1.00 22.02 O ATOM 1111 CB ASN A 73 -5.578 8.745 9.224 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.251 9.690 8.086 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -4.085 9.504 7.481 1.00 72.24 O flip ATOM 1114 ND2 ASN A 73 -6.037 10.579 7.755 1.00 11.11 N flip ATOM 0 H ASN A 73 -3.295 9.417 10.681 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.160 10.143 10.751 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -4.945 7.860 9.152 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -6.610 8.408 9.128 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -6.923 10.686 8.248 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -5.801 11.208 6.988 1.00 11.11 H new ATOM 1121 N ASP A 74 -6.544 8.467 12.507 1.00 10.14 N ATOM 1122 CA ASP A 74 -6.772 7.526 13.597 1.00 32.42 C ATOM 1123 C ASP A 74 -7.256 6.185 13.057 1.00 31.33 C ATOM 1124 O ASP A 74 -8.432 6.025 12.728 1.00 44.21 O ATOM 1125 CB ASP A 74 -7.795 8.092 14.583 1.00 3.14 C ATOM 1126 CG ASP A 74 -7.232 9.231 15.411 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -6.096 9.095 15.913 1.00 5.34 O ATOM 1128 OD2 ASP A 74 -7.926 10.259 15.558 1.00 34.45 O ATOM 0 H ASP A 74 -7.243 9.207 12.434 1.00 10.14 H new ATOM 0 HA ASP A 74 -5.827 7.371 14.118 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -8.669 8.443 14.034 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -8.134 7.297 15.247 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.343 5.223 12.967 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.680 3.898 12.465 1.00 63.22 C ATOM 1135 C VAL A 75 -7.157 2.986 13.595 1.00 35.25 C ATOM 1136 O VAL A 75 -6.693 3.097 14.730 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.479 3.242 11.754 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -4.992 4.119 10.609 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.352 2.967 12.740 1.00 12.01 C ATOM 0 H VAL A 75 -5.366 5.337 13.235 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.487 4.028 11.744 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.806 2.288 11.340 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.144 3.640 10.119 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -5.798 4.256 9.888 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -4.685 5.089 10.999 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.515 2.504 12.217 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.025 3.905 13.189 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.708 2.295 13.521 1.00 12.01 H new ATOM 1149 N PRO A 76 -8.096 2.071 13.298 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.635 1.142 14.292 1.00 75.42 C ATOM 1151 C PRO A 76 -7.705 -0.038 14.561 1.00 43.21 C ATOM 1152 O PRO A 76 -7.846 -0.733 15.567 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.931 0.664 13.642 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.660 0.723 12.178 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.707 1.872 11.968 1.00 24.22 C ATOM 0 HA PRO A 76 -8.770 1.615 15.265 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -10.183 -0.348 13.958 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.771 1.302 13.916 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -9.225 -0.212 11.826 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.583 0.876 11.618 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.956 1.636 11.214 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.228 2.767 11.629 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.756 -0.262 13.656 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.809 -1.362 13.800 1.00 21.44 C ATOM 1165 C ASP A 77 -4.635 -0.960 14.689 1.00 3.52 C ATOM 1166 O ASP A 77 -4.251 0.208 14.738 1.00 0.40 O ATOM 1167 CB ASP A 77 -5.299 -1.805 12.426 1.00 64.14 C ATOM 1168 CG ASP A 77 -5.753 -3.206 12.065 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -6.980 -3.439 12.019 1.00 20.50 O ATOM 1170 OD2 ASP A 77 -4.883 -4.070 11.830 1.00 31.34 O ATOM 0 H ASP A 77 -6.623 0.303 12.817 1.00 62.52 H new ATOM 0 HA ASP A 77 -6.328 -2.196 14.274 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.651 -1.105 11.668 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -4.210 -1.765 12.416 1.00 64.14 H new ATOM 1253 N PRO A 83 7.078 2.558 10.744 1.00 3.04 N ATOM 1254 CA PRO A 83 5.756 2.397 10.135 1.00 54.24 C ATOM 1255 C PRO A 83 5.384 0.934 9.941 1.00 11.33 C ATOM 1256 O PRO A 83 6.005 0.044 10.521 1.00 42.02 O ATOM 1257 CB PRO A 83 5.888 3.093 8.775 1.00 3.23 C ATOM 1258 CG PRO A 83 7.271 3.668 8.737 1.00 1.32 C ATOM 1259 CD PRO A 83 8.079 2.881 9.729 1.00 54.44 C ATOM 0 HA PRO A 83 4.972 2.816 10.766 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.737 2.386 7.959 1.00 3.23 H new ATOM 0 HB3 PRO A 83 5.137 3.875 8.663 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.698 3.589 7.737 1.00 1.32 H new ATOM 0 HG3 PRO A 83 7.260 4.727 8.996 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.513 1.986 9.284 1.00 54.44 H new ATOM 0 HD3 PRO A 83 8.903 3.465 10.139 1.00 54.44 H new ATOM 1267 N THR A 84 4.365 0.689 9.122 1.00 2.41 N ATOM 1268 CA THR A 84 3.918 -0.679 8.865 1.00 41.24 C ATOM 1269 C THR A 84 3.449 -0.855 7.422 1.00 32.43 C ATOM 1270 O THR A 84 3.075 0.106 6.758 1.00 60.21 O ATOM 1271 CB THR A 84 2.792 -1.055 9.840 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.308 -1.252 11.143 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.036 -2.315 9.457 1.00 53.53 C ATOM 0 H THR A 84 3.838 1.410 8.629 1.00 2.41 H new ATOM 0 HA THR A 84 4.767 -1.345 9.020 1.00 41.24 H new ATOM 0 HB THR A 84 2.097 -0.216 9.801 1.00 10.10 H new ATOM 0 HG1 THR A 84 2.578 -1.489 11.752 1.00 22.31 H new ATOM 0 HG21 THR A 84 1.259 -2.511 10.195 1.00 53.53 H new ATOM 0 HG22 THR A 84 1.580 -2.182 8.476 1.00 53.53 H new ATOM 0 HG23 THR A 84 2.726 -3.158 9.424 1.00 53.53 H new ATOM 1281 N ILE A 85 3.468 -2.098 6.948 1.00 60.42 N ATOM 1282 CA ILE A 85 3.035 -2.407 5.591 1.00 22.33 C ATOM 1283 C ILE A 85 2.156 -3.651 5.562 1.00 73.34 C ATOM 1284 O ILE A 85 2.638 -4.777 5.523 1.00 71.15 O ATOM 1285 CB ILE A 85 4.218 -2.607 4.634 1.00 41.20 C ATOM 1286 CG1 ILE A 85 5.218 -1.453 4.792 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.702 -2.714 3.203 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.874 -1.020 3.499 1.00 54.43 C ATOM 0 H ILE A 85 3.779 -2.907 7.485 1.00 60.42 H new ATOM 0 HA ILE A 85 2.459 -1.545 5.253 1.00 22.33 H new ATOM 0 HB ILE A 85 4.740 -3.533 4.876 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.703 -0.598 5.229 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.993 -1.753 5.497 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.542 -2.856 2.523 1.00 44.35 H new ATOM 0 HG22 ILE A 85 3.023 -3.563 3.124 1.00 44.35 H new ATOM 0 HG23 ILE A 85 3.171 -1.799 2.938 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.565 -0.201 3.698 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.420 -1.860 3.069 1.00 54.43 H new ATOM 0 HD13 ILE A 85 5.110 -0.687 2.797 1.00 54.43 H new ATOM 1300 N LYS A 86 0.860 -3.422 5.570 1.00 3.11 N ATOM 1301 CA LYS A 86 -0.121 -4.500 5.541 1.00 60.53 C ATOM 1302 C LYS A 86 -0.639 -4.719 4.126 1.00 52.11 C ATOM 1303 O LYS A 86 -1.043 -3.773 3.450 1.00 22.13 O ATOM 1304 CB LYS A 86 -1.287 -4.181 6.478 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.992 -4.471 7.941 1.00 12.03 C ATOM 1306 CD LYS A 86 -2.112 -3.982 8.844 1.00 13.41 C ATOM 1307 CE LYS A 86 -2.363 -4.946 9.992 1.00 71.15 C ATOM 1308 NZ LYS A 86 -1.483 -4.662 11.159 1.00 24.02 N ATOM 0 H LYS A 86 0.452 -2.488 5.597 1.00 3.11 H new ATOM 0 HA LYS A 86 0.367 -5.414 5.878 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.550 -3.129 6.371 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -2.158 -4.760 6.170 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.854 -5.543 8.079 1.00 12.03 H new ATOM 0 HG3 LYS A 86 -0.057 -3.990 8.227 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -1.858 -3.000 9.242 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -3.025 -3.863 8.261 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -3.407 -4.880 10.300 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -2.195 -5.968 9.651 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -1.787 -5.237 11.971 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -0.499 -4.897 10.917 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -1.548 -3.654 11.405 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.623 -5.969 3.681 1.00 25.44 N ATOM 1323 CA LEU A 87 -1.090 -6.306 2.341 1.00 13.34 C ATOM 1324 C LEU A 87 -2.461 -6.968 2.393 1.00 25.24 C ATOM 1325 O LEU A 87 -2.593 -8.104 2.849 1.00 31.53 O ATOM 1326 CB LEU A 87 -0.092 -7.245 1.669 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.447 -7.706 0.243 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.439 -8.857 0.294 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -1.010 -6.552 -0.577 1.00 30.13 C ATOM 0 H LEU A 87 -0.293 -6.765 4.226 1.00 25.44 H new ATOM 0 HA LEU A 87 -1.173 -5.385 1.764 1.00 13.34 H new ATOM 0 HB2 LEU A 87 0.878 -6.748 1.637 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.023 -8.129 2.296 1.00 63.02 H new ATOM 0 HG LEU A 87 0.466 -8.052 -0.243 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.682 -9.173 -0.720 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -1.000 -9.692 0.839 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -2.348 -8.532 0.800 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -1.253 -6.903 -1.580 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.912 -6.171 -0.098 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.269 -5.755 -0.641 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.476 -6.261 1.914 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.829 -6.797 1.900 1.00 20.25 C ATOM 1343 C TYR A 88 -5.143 -7.399 0.532 1.00 64.41 C ATOM 1344 O TYR A 88 -5.523 -6.686 -0.396 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.848 -5.711 2.249 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.595 -5.046 3.585 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.423 -4.339 3.824 1.00 30.13 C ATOM 1348 CD2 TYR A 88 -6.528 -5.132 4.611 1.00 73.15 C ATOM 1349 CE1 TYR A 88 -4.188 -3.738 5.045 1.00 35.44 C ATOM 1350 CE2 TYR A 88 -6.301 -4.532 5.834 1.00 54.40 C ATOM 1351 CZ TYR A 88 -5.130 -3.837 6.046 1.00 1.22 C ATOM 1352 OH TYR A 88 -4.898 -3.241 7.264 1.00 3.10 O ATOM 0 H TYR A 88 -3.388 -5.319 1.532 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.895 -7.581 2.654 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.838 -4.951 1.467 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.846 -6.150 2.255 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.683 -4.258 3.041 1.00 30.13 H new ATOM 0 HD2 TYR A 88 -7.446 -5.677 4.449 1.00 73.15 H new ATOM 0 HE1 TYR A 88 -3.271 -3.193 5.214 1.00 35.44 H new ATOM 0 HE2 TYR A 88 -7.037 -4.607 6.620 1.00 54.40 H new ATOM 0 HH TYR A 88 -5.260 -2.330 7.257 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.984 -8.727 0.389 1.00 54.33 N ATOM 1363 CA PRO A 89 -5.244 -9.432 -0.863 1.00 44.12 C ATOM 1364 C PRO A 89 -6.637 -9.177 -1.379 1.00 5.24 C ATOM 1365 O PRO A 89 -7.511 -8.726 -0.645 1.00 54.43 O ATOM 1366 CB PRO A 89 -5.119 -10.916 -0.486 1.00 1.30 C ATOM 1367 CG PRO A 89 -5.171 -10.939 0.999 1.00 52.43 C ATOM 1368 CD PRO A 89 -4.543 -9.654 1.429 1.00 64.41 C ATOM 0 HA PRO A 89 -4.559 -9.108 -1.647 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.929 -11.503 -0.919 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -4.185 -11.340 -0.855 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -6.198 -11.015 1.357 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -4.630 -11.796 1.399 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.883 -9.347 2.418 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -3.456 -9.728 1.474 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.852 -9.518 -2.629 1.00 0.43 N ATOM 1377 CA ALA A 90 -8.166 -9.371 -3.215 1.00 75.24 C ATOM 1378 C ALA A 90 -8.902 -10.687 -3.093 1.00 45.22 C ATOM 1379 O ALA A 90 -9.406 -11.241 -4.069 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.075 -8.919 -4.665 1.00 33.05 C ATOM 0 H ALA A 90 -6.141 -9.896 -3.256 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.718 -8.598 -2.680 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.079 -8.817 -5.078 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.563 -7.958 -4.715 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.518 -9.657 -5.242 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.946 -11.174 -1.862 1.00 72.10 N ATOM 1387 CA GLY A 91 -9.607 -12.425 -1.573 1.00 72.44 C ATOM 1388 C GLY A 91 -9.671 -12.691 -0.087 1.00 51.35 C ATOM 1389 O GLY A 91 -10.600 -13.340 0.394 1.00 44.12 O ATOM 0 H GLY A 91 -8.530 -10.717 -1.051 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -10.617 -12.407 -1.984 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -9.077 -13.240 -2.066 1.00 72.44 H new ATOM 1393 N ALA A 92 -8.685 -12.182 0.651 1.00 43.32 N ATOM 1394 CA ALA A 92 -8.658 -12.375 2.096 1.00 72.41 C ATOM 1395 C ALA A 92 -9.138 -11.126 2.827 1.00 74.42 C ATOM 1396 O ALA A 92 -10.279 -11.062 3.286 1.00 70.33 O ATOM 1397 CB ALA A 92 -7.263 -12.773 2.560 1.00 31.53 C ATOM 0 H ALA A 92 -7.906 -11.641 0.277 1.00 43.32 H new ATOM 0 HA ALA A 92 -9.343 -13.187 2.339 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -7.265 -12.912 3.641 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -6.970 -13.704 2.075 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -6.554 -11.988 2.296 1.00 31.53 H new ATOM 1403 N LYS A 93 -8.261 -10.137 2.931 1.00 63.44 N ATOM 1404 CA LYS A 93 -8.585 -8.887 3.605 1.00 62.03 C ATOM 1405 C LYS A 93 -8.956 -9.124 5.071 1.00 52.40 C ATOM 1406 O LYS A 93 -9.475 -8.229 5.738 1.00 73.44 O ATOM 1407 CB LYS A 93 -9.745 -8.195 2.895 1.00 51.10 C ATOM 1408 CG LYS A 93 -9.635 -8.211 1.381 1.00 74.33 C ATOM 1409 CD LYS A 93 -9.689 -6.807 0.798 1.00 31.12 C ATOM 1410 CE LYS A 93 -8.341 -6.383 0.240 1.00 50.44 C ATOM 1411 NZ LYS A 93 -8.074 -4.937 0.466 1.00 73.13 N ATOM 0 H LYS A 93 -7.314 -10.177 2.555 1.00 63.44 H new ATOM 0 HA LYS A 93 -7.700 -8.252 3.571 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -10.677 -8.678 3.187 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -9.802 -7.161 3.235 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -8.701 -8.691 1.089 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -10.445 -8.810 0.964 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -10.439 -6.769 0.008 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -10.002 -6.103 1.569 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -7.553 -6.974 0.707 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -8.308 -6.595 -0.829 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -7.145 -4.690 0.070 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -8.811 -4.371 -0.001 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -8.079 -4.738 1.487 1.00 73.13 H new ATOM 1425 N GLY A 94 -8.691 -10.331 5.568 1.00 31.24 N ATOM 1426 CA GLY A 94 -9.007 -10.655 6.948 1.00 21.30 C ATOM 1427 C GLY A 94 -7.761 -10.809 7.792 1.00 43.25 C ATOM 1428 O GLY A 94 -7.800 -10.642 9.011 1.00 34.03 O ATOM 0 H GLY A 94 -8.263 -11.090 5.038 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -9.636 -9.871 7.370 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -9.584 -11.579 6.981 1.00 21.30 H new ATOM 1432 N GLN A 95 -6.649 -11.109 7.134 1.00 30.14 N ATOM 1433 CA GLN A 95 -5.376 -11.265 7.810 1.00 32.12 C ATOM 1434 C GLN A 95 -4.243 -10.866 6.874 1.00 35.41 C ATOM 1435 O GLN A 95 -3.361 -11.666 6.564 1.00 1.14 O ATOM 1436 CB GLN A 95 -5.180 -12.701 8.289 1.00 22.32 C ATOM 1437 CG GLN A 95 -3.859 -12.909 9.007 1.00 60.44 C ATOM 1438 CD GLN A 95 -3.185 -14.213 8.627 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -3.838 -15.249 8.500 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -1.871 -14.168 8.443 1.00 12.52 N ATOM 0 H GLN A 95 -6.608 -11.249 6.125 1.00 30.14 H new ATOM 0 HA GLN A 95 -5.370 -10.614 8.684 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -5.998 -12.970 8.958 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -5.233 -13.374 7.434 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -3.191 -12.079 8.777 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -4.029 -12.893 10.084 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -1.370 -13.287 8.559 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -1.363 -15.014 8.186 1.00 12.52 H new ATOM 1449 N PRO A 96 -4.272 -9.607 6.411 1.00 24.22 N ATOM 1450 CA PRO A 96 -3.266 -9.052 5.503 1.00 41.01 C ATOM 1451 C PRO A 96 -1.844 -9.433 5.881 1.00 1.53 C ATOM 1452 O PRO A 96 -1.616 -10.167 6.842 1.00 11.13 O ATOM 1453 CB PRO A 96 -3.446 -7.554 5.695 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.893 -7.385 5.990 1.00 12.13 C ATOM 1455 CD PRO A 96 -5.319 -8.619 6.736 1.00 13.13 C ATOM 0 HA PRO A 96 -3.399 -9.416 4.484 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.829 -7.182 6.513 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -3.157 -7.002 4.801 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -5.066 -6.490 6.588 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -5.466 -7.269 5.070 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -5.378 -8.437 7.809 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -6.304 -8.960 6.416 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.881 -8.893 5.146 1.00 3.32 N ATOM 1464 CA VAL A 97 0.507 -9.148 5.437 1.00 62.24 C ATOM 1465 C VAL A 97 1.113 -7.927 6.098 1.00 12.14 C ATOM 1466 O VAL A 97 1.744 -7.102 5.439 1.00 15.12 O ATOM 1467 CB VAL A 97 1.312 -9.493 4.173 1.00 14.00 C ATOM 1468 CG1 VAL A 97 2.721 -9.927 4.548 1.00 44.42 C ATOM 1469 CG2 VAL A 97 0.603 -10.573 3.366 1.00 64.03 C ATOM 0 H VAL A 97 -1.043 -8.279 4.348 1.00 3.32 H new ATOM 0 HA VAL A 97 0.552 -10.009 6.104 1.00 62.24 H new ATOM 0 HB VAL A 97 1.385 -8.602 3.550 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.280 -10.168 3.644 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.222 -9.118 5.079 1.00 44.42 H new ATOM 0 HG13 VAL A 97 2.672 -10.807 5.190 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.187 -10.804 2.475 1.00 64.03 H new ATOM 0 HG22 VAL A 97 0.498 -11.471 3.974 1.00 64.03 H new ATOM 0 HG23 VAL A 97 -0.384 -10.217 3.070 1.00 64.03 H new ATOM 1479 N THR A 98 0.899 -7.814 7.403 1.00 41.44 N ATOM 1480 CA THR A 98 1.422 -6.692 8.166 1.00 64.43 C ATOM 1481 C THR A 98 2.940 -6.711 8.117 1.00 21.02 C ATOM 1482 O THR A 98 3.562 -7.763 8.263 1.00 30.03 O ATOM 1483 CB THR A 98 0.929 -6.748 9.609 1.00 34.02 C ATOM 1484 OG1 THR A 98 1.590 -5.780 10.405 1.00 24.31 O ATOM 1485 CG2 THR A 98 1.132 -8.098 10.262 1.00 50.13 C ATOM 0 H THR A 98 0.366 -8.487 7.954 1.00 41.44 H new ATOM 0 HA THR A 98 1.063 -5.762 7.725 1.00 64.43 H new ATOM 0 HB THR A 98 -0.141 -6.549 9.554 1.00 34.02 H new ATOM 0 HG1 THR A 98 1.258 -5.832 11.326 1.00 24.31 H new ATOM 0 HG21 THR A 98 0.759 -8.067 11.286 1.00 50.13 H new ATOM 0 HG22 THR A 98 0.589 -8.859 9.701 1.00 50.13 H new ATOM 0 HG23 THR A 98 2.194 -8.342 10.270 1.00 50.13 H new ATOM 1493 N TYR A 99 3.531 -5.556 7.862 1.00 11.02 N ATOM 1494 CA TYR A 99 4.972 -5.464 7.737 1.00 35.40 C ATOM 1495 C TYR A 99 5.524 -4.187 8.358 1.00 21.30 C ATOM 1496 O TYR A 99 4.786 -3.399 8.942 1.00 23.13 O ATOM 1497 CB TYR A 99 5.331 -5.529 6.258 1.00 10.30 C ATOM 1498 CG TYR A 99 6.143 -6.745 5.895 1.00 52.22 C ATOM 1499 CD1 TYR A 99 7.528 -6.742 5.991 1.00 32.43 C ATOM 1500 CD2 TYR A 99 5.513 -7.904 5.459 1.00 4.22 C ATOM 1501 CE1 TYR A 99 8.266 -7.863 5.661 1.00 14.41 C ATOM 1502 CE2 TYR A 99 6.244 -9.029 5.127 1.00 35.13 C ATOM 1503 CZ TYR A 99 7.619 -9.003 5.229 1.00 52.53 C ATOM 1504 OH TYR A 99 8.351 -10.121 4.900 1.00 43.14 O ATOM 0 H TYR A 99 3.036 -4.673 7.738 1.00 11.02 H new ATOM 0 HA TYR A 99 5.422 -6.296 8.279 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.414 -5.523 5.668 1.00 10.30 H new ATOM 0 HB3 TYR A 99 5.890 -4.633 5.987 1.00 10.30 H new ATOM 0 HD1 TYR A 99 8.036 -5.851 6.328 1.00 32.43 H new ATOM 0 HD2 TYR A 99 4.436 -7.926 5.378 1.00 4.22 H new ATOM 0 HE1 TYR A 99 9.343 -7.847 5.741 1.00 14.41 H new ATOM 0 HE2 TYR A 99 5.741 -9.923 4.790 1.00 35.13 H new ATOM 0 HH TYR A 99 7.745 -10.837 4.616 1.00 43.14 H new ATOM 1514 N SER A 100 6.832 -3.993 8.217 1.00 31.31 N ATOM 1515 CA SER A 100 7.497 -2.811 8.750 1.00 32.14 C ATOM 1516 C SER A 100 7.858 -1.849 7.622 1.00 23.31 C ATOM 1517 O SER A 100 7.878 -0.633 7.810 1.00 62.10 O ATOM 1518 CB SER A 100 8.758 -3.210 9.520 1.00 40.51 C ATOM 1519 OG SER A 100 9.327 -4.394 8.989 1.00 1.21 O ATOM 0 H SER A 100 7.454 -4.643 7.736 1.00 31.31 H new ATOM 0 HA SER A 100 6.811 -2.310 9.433 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.487 -2.401 9.475 1.00 40.51 H new ATOM 0 HB3 SER A 100 8.513 -3.360 10.572 1.00 40.51 H new ATOM 0 HG SER A 100 10.132 -4.627 9.497 1.00 1.21 H new ATOM 1525 N GLY A 101 8.134 -2.406 6.445 1.00 13.00 N ATOM 1526 CA GLY A 101 8.482 -1.588 5.297 1.00 32.02 C ATOM 1527 C GLY A 101 9.968 -1.598 4.993 1.00 62.13 C ATOM 1528 O GLY A 101 10.783 -1.214 5.832 1.00 15.31 O ATOM 0 H GLY A 101 8.123 -3.410 6.267 1.00 13.00 H new ATOM 0 HA2 GLY A 101 7.935 -1.945 4.424 1.00 32.02 H new ATOM 0 HA3 GLY A 101 8.160 -0.562 5.477 1.00 32.02 H new ATOM 1532 N SER A 102 10.319 -2.032 3.785 1.00 50.31 N ATOM 1533 CA SER A 102 11.713 -2.086 3.366 1.00 71.21 C ATOM 1534 C SER A 102 11.939 -1.171 2.171 1.00 63.42 C ATOM 1535 O SER A 102 11.113 -1.112 1.259 1.00 24.21 O ATOM 1536 CB SER A 102 12.109 -3.520 3.012 1.00 23.50 C ATOM 1537 OG SER A 102 11.604 -4.439 3.965 1.00 75.23 O ATOM 0 H SER A 102 9.655 -2.351 3.080 1.00 50.31 H new ATOM 0 HA SER A 102 12.336 -1.746 4.193 1.00 71.21 H new ATOM 0 HB2 SER A 102 11.728 -3.772 2.022 1.00 23.50 H new ATOM 0 HB3 SER A 102 13.195 -3.600 2.965 1.00 23.50 H new ATOM 0 HG SER A 102 11.870 -5.349 3.715 1.00 75.23 H new ATOM 1543 N ARG A 103 13.054 -0.454 2.180 1.00 13.43 N ATOM 1544 CA ARG A 103 13.377 0.462 1.095 1.00 74.42 C ATOM 1545 C ARG A 103 13.738 -0.298 -0.180 1.00 52.14 C ATOM 1546 O ARG A 103 14.860 -0.194 -0.676 1.00 2.14 O ATOM 1547 CB ARG A 103 14.532 1.380 1.502 1.00 32.55 C ATOM 1548 CG ARG A 103 15.709 0.640 2.118 1.00 62.25 C ATOM 1549 CD ARG A 103 15.717 0.768 3.633 1.00 24.05 C ATOM 1550 NE ARG A 103 17.069 0.935 4.161 1.00 31.04 N ATOM 1551 CZ ARG A 103 17.938 -0.063 4.301 1.00 1.13 C ATOM 1552 NH1 ARG A 103 17.602 -1.300 3.954 1.00 72.31 N ATOM 1553 NH2 ARG A 103 19.148 0.175 4.788 1.00 73.50 N ATOM 0 H ARG A 103 13.749 -0.489 2.925 1.00 13.43 H new ATOM 0 HA ARG A 103 12.493 1.067 0.892 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.877 1.927 0.625 1.00 32.55 H new ATOM 0 HB3 ARG A 103 14.165 2.118 2.215 1.00 32.55 H new ATOM 0 HG2 ARG A 103 15.663 -0.413 1.841 1.00 62.25 H new ATOM 0 HG3 ARG A 103 16.641 1.036 1.714 1.00 62.25 H new ATOM 0 HD2 ARG A 103 15.105 1.620 3.928 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.262 -0.119 4.074 1.00 24.05 H new ATOM 0 HE ARG A 103 17.364 1.871 4.438 1.00 31.04 H new ATOM 0 HH11 ARG A 103 16.673 -1.490 3.578 1.00 72.31 H new ATOM 0 HH12 ARG A 103 18.273 -2.061 4.064 1.00 72.31 H new ATOM 0 HH21 ARG A 103 19.413 1.123 5.055 1.00 73.50 H new ATOM 0 HH22 ARG A 103 19.814 -0.590 4.895 1.00 73.50 H new ATOM 1567 N THR A 104 12.787 -1.067 -0.710 1.00 51.13 N ATOM 1568 CA THR A 104 13.033 -1.838 -1.927 1.00 63.43 C ATOM 1569 C THR A 104 11.755 -2.037 -2.741 1.00 10.52 C ATOM 1570 O THR A 104 10.688 -2.310 -2.191 1.00 43.31 O ATOM 1571 CB THR A 104 13.639 -3.195 -1.575 1.00 53.32 C ATOM 1572 OG1 THR A 104 13.852 -3.968 -2.743 1.00 61.20 O ATOM 1573 CG2 THR A 104 12.773 -4.007 -0.639 1.00 35.33 C ATOM 0 H THR A 104 11.850 -1.172 -0.321 1.00 51.13 H new ATOM 0 HA THR A 104 13.734 -1.271 -2.539 1.00 63.43 H new ATOM 0 HB THR A 104 14.581 -2.972 -1.074 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.242 -4.833 -2.496 1.00 61.20 H new ATOM 0 HG21 THR A 104 13.259 -4.959 -0.428 1.00 35.33 H new ATOM 0 HG22 THR A 104 12.630 -3.458 0.292 1.00 35.33 H new ATOM 0 HG23 THR A 104 11.805 -4.189 -1.105 1.00 35.33 H new ATOM 1581 N VAL A 105 11.881 -1.900 -4.060 1.00 53.23 N ATOM 1582 CA VAL A 105 10.750 -2.065 -4.971 1.00 31.22 C ATOM 1583 C VAL A 105 10.623 -3.508 -5.452 1.00 4.43 C ATOM 1584 O VAL A 105 9.521 -4.002 -5.687 1.00 4.43 O ATOM 1585 CB VAL A 105 10.891 -1.160 -6.208 1.00 25.14 C ATOM 1586 CG1 VAL A 105 9.619 -1.202 -7.038 1.00 41.23 C ATOM 1587 CG2 VAL A 105 11.232 0.266 -5.803 1.00 12.42 C ATOM 0 H VAL A 105 12.761 -1.674 -4.524 1.00 53.23 H new ATOM 0 HA VAL A 105 9.860 -1.787 -4.407 1.00 31.22 H new ATOM 0 HB VAL A 105 11.712 -1.535 -6.818 1.00 25.14 H new ATOM 0 HG11 VAL A 105 9.732 -0.558 -7.910 1.00 41.23 H new ATOM 0 HG12 VAL A 105 9.431 -2.225 -7.365 1.00 41.23 H new ATOM 0 HG13 VAL A 105 8.780 -0.854 -6.436 1.00 41.23 H new ATOM 0 HG21 VAL A 105 11.326 0.885 -6.695 1.00 12.42 H new ATOM 0 HG22 VAL A 105 10.440 0.663 -5.168 1.00 12.42 H new ATOM 0 HG23 VAL A 105 12.174 0.273 -5.255 1.00 12.42 H new ATOM 1597 N GLU A 106 11.758 -4.175 -5.606 1.00 21.14 N ATOM 1598 CA GLU A 106 11.779 -5.557 -6.067 1.00 34.33 C ATOM 1599 C GLU A 106 11.057 -6.456 -5.078 1.00 74.15 C ATOM 1600 O GLU A 106 10.389 -7.423 -5.456 1.00 5.20 O ATOM 1601 CB GLU A 106 13.222 -6.026 -6.233 1.00 44.31 C ATOM 1602 CG GLU A 106 14.147 -4.951 -6.773 1.00 51.44 C ATOM 1603 CD GLU A 106 14.994 -5.431 -7.935 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.423 -6.604 -7.912 1.00 13.12 O ATOM 1605 OE2 GLU A 106 15.230 -4.633 -8.867 1.00 0.23 O ATOM 0 H GLU A 106 12.680 -3.780 -5.418 1.00 21.14 H new ATOM 0 HA GLU A 106 11.269 -5.612 -7.029 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.598 -6.368 -5.269 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.242 -6.884 -6.905 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.553 -4.095 -7.092 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.800 -4.605 -5.972 1.00 51.44 H new ATOM 1612 N ASP A 107 11.184 -6.111 -3.806 1.00 22.20 N ATOM 1613 CA ASP A 107 10.539 -6.866 -2.747 1.00 22.14 C ATOM 1614 C ASP A 107 9.057 -6.545 -2.717 1.00 30.35 C ATOM 1615 O ASP A 107 8.250 -7.341 -2.243 1.00 45.13 O ATOM 1616 CB ASP A 107 11.177 -6.549 -1.394 1.00 34.21 C ATOM 1617 CG ASP A 107 11.175 -7.744 -0.460 1.00 23.23 C ATOM 1618 OD1 ASP A 107 11.490 -8.860 -0.923 1.00 52.13 O ATOM 1619 OD2 ASP A 107 10.859 -7.562 0.735 1.00 53.32 O ATOM 0 H ASP A 107 11.729 -5.312 -3.483 1.00 22.20 H new ATOM 0 HA ASP A 107 10.670 -7.930 -2.945 1.00 22.14 H new ATOM 0 HB2 ASP A 107 12.203 -6.214 -1.549 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.639 -5.724 -0.926 1.00 34.21 H new ATOM 1624 N LEU A 108 8.710 -5.372 -3.242 1.00 13.14 N ATOM 1625 CA LEU A 108 7.325 -4.934 -3.293 1.00 21.53 C ATOM 1626 C LEU A 108 6.548 -5.752 -4.304 1.00 44.54 C ATOM 1627 O LEU A 108 5.479 -6.283 -4.004 1.00 54.12 O ATOM 1628 CB LEU A 108 7.256 -3.457 -3.656 1.00 44.23 C ATOM 1629 CG LEU A 108 7.290 -2.516 -2.460 1.00 32.01 C ATOM 1630 CD1 LEU A 108 7.263 -1.067 -2.918 1.00 11.13 C ATOM 1631 CD2 LEU A 108 6.124 -2.812 -1.528 1.00 1.34 C ATOM 0 H LEU A 108 9.375 -4.708 -3.639 1.00 13.14 H new ATOM 0 HA LEU A 108 6.879 -5.080 -2.309 1.00 21.53 H new ATOM 0 HB2 LEU A 108 8.090 -3.218 -4.316 1.00 44.23 H new ATOM 0 HB3 LEU A 108 6.341 -3.276 -4.220 1.00 44.23 H new ATOM 0 HG LEU A 108 8.219 -2.678 -1.913 1.00 32.01 H new ATOM 0 HD11 LEU A 108 7.288 -0.410 -2.049 1.00 11.13 H new ATOM 0 HD12 LEU A 108 8.130 -0.868 -3.548 1.00 11.13 H new ATOM 0 HD13 LEU A 108 6.352 -0.882 -3.486 1.00 11.13 H new ATOM 0 HD21 LEU A 108 6.158 -2.133 -0.676 1.00 1.34 H new ATOM 0 HD22 LEU A 108 5.185 -2.674 -2.065 1.00 1.34 H new ATOM 0 HD23 LEU A 108 6.192 -3.841 -1.175 1.00 1.34 H new ATOM 1643 N ILE A 109 7.103 -5.869 -5.499 1.00 64.31 N ATOM 1644 CA ILE A 109 6.469 -6.649 -6.544 1.00 13.12 C ATOM 1645 C ILE A 109 6.276 -8.079 -6.056 1.00 1.02 C ATOM 1646 O ILE A 109 5.164 -8.617 -6.066 1.00 62.41 O ATOM 1647 CB ILE A 109 7.318 -6.648 -7.827 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.542 -5.215 -8.312 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.656 -7.485 -8.913 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.935 -4.969 -8.851 1.00 65.14 C ATOM 0 H ILE A 109 7.987 -5.436 -5.767 1.00 64.31 H new ATOM 0 HA ILE A 109 5.503 -6.201 -6.776 1.00 13.12 H new ATOM 0 HB ILE A 109 8.287 -7.094 -7.601 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.814 -4.986 -9.091 1.00 63.20 H new ATOM 0 HG13 ILE A 109 7.354 -4.527 -7.487 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.274 -7.470 -9.811 1.00 5.30 H new ATOM 0 HG22 ILE A 109 6.547 -8.512 -8.565 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.673 -7.073 -9.142 1.00 5.30 H new ATOM 0 HD11 ILE A 109 9.021 -3.932 -9.176 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.668 -5.166 -8.069 1.00 65.14 H new ATOM 0 HD13 ILE A 109 9.120 -5.631 -9.697 1.00 65.14 H new ATOM 1662 N LYS A 110 7.366 -8.671 -5.581 1.00 11.50 N ATOM 1663 CA LYS A 110 7.328 -10.017 -5.047 1.00 41.30 C ATOM 1664 C LYS A 110 6.463 -10.052 -3.803 1.00 4.32 C ATOM 1665 O LYS A 110 5.992 -11.111 -3.386 1.00 2.43 O ATOM 1666 CB LYS A 110 8.737 -10.480 -4.696 1.00 41.03 C ATOM 1667 CG LYS A 110 9.306 -11.489 -5.680 1.00 60.41 C ATOM 1668 CD LYS A 110 9.276 -12.899 -5.116 1.00 43.44 C ATOM 1669 CE LYS A 110 9.721 -13.920 -6.149 1.00 44.51 C ATOM 1670 NZ LYS A 110 11.200 -13.929 -6.320 1.00 34.32 N ATOM 0 H LYS A 110 8.287 -8.234 -5.557 1.00 11.50 H new ATOM 0 HA LYS A 110 6.908 -10.683 -5.801 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.396 -9.613 -4.655 1.00 41.03 H new ATOM 0 HB3 LYS A 110 8.728 -10.921 -3.699 1.00 41.03 H new ATOM 0 HG2 LYS A 110 8.735 -11.455 -6.608 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.332 -11.217 -5.928 1.00 60.41 H new ATOM 0 HD2 LYS A 110 9.925 -12.957 -4.242 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.267 -13.136 -4.779 1.00 43.44 H new ATOM 0 HE2 LYS A 110 9.384 -14.912 -5.847 1.00 44.51 H new ATOM 0 HE3 LYS A 110 9.246 -13.699 -7.105 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 11.463 -14.639 -7.033 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 11.519 -12.990 -6.633 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 11.653 -14.165 -5.414 1.00 34.32 H new ATOM 1684 N PHE A 111 6.261 -8.883 -3.208 1.00 33.42 N ATOM 1685 CA PHE A 111 5.472 -8.773 -2.022 1.00 12.40 C ATOM 1686 C PHE A 111 4.024 -9.119 -2.320 1.00 40.41 C ATOM 1687 O PHE A 111 3.575 -10.220 -2.029 1.00 21.53 O ATOM 1688 CB PHE A 111 5.595 -7.360 -1.494 1.00 64.35 C ATOM 1689 CG PHE A 111 5.984 -7.282 -0.049 1.00 33.13 C ATOM 1690 CD1 PHE A 111 7.029 -8.049 0.436 1.00 43.23 C ATOM 1691 CD2 PHE A 111 5.313 -6.439 0.821 1.00 12.22 C ATOM 1692 CE1 PHE A 111 7.400 -7.979 1.763 1.00 33.12 C ATOM 1693 CE2 PHE A 111 5.679 -6.365 2.151 1.00 2.32 C ATOM 1694 CZ PHE A 111 6.724 -7.136 2.621 1.00 24.21 C ATOM 0 H PHE A 111 6.644 -7.999 -3.544 1.00 33.42 H new ATOM 0 HA PHE A 111 5.829 -9.474 -1.267 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.335 -6.824 -2.088 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.643 -6.847 -1.632 1.00 64.35 H new ATOM 0 HD1 PHE A 111 7.560 -8.710 -0.232 1.00 43.23 H new ATOM 0 HD2 PHE A 111 4.496 -5.834 0.456 1.00 12.22 H new ATOM 0 HE1 PHE A 111 8.217 -8.582 2.129 1.00 33.12 H new ATOM 0 HE2 PHE A 111 5.149 -5.705 2.822 1.00 2.32 H new ATOM 0 HZ PHE A 111 7.012 -7.079 3.660 1.00 24.21 H new ATOM 1704 N ILE A 112 3.308 -8.185 -2.932 1.00 71.40 N ATOM 1705 CA ILE A 112 1.912 -8.411 -3.290 1.00 72.10 C ATOM 1706 C ILE A 112 1.785 -9.560 -4.288 1.00 63.21 C ATOM 1707 O ILE A 112 0.684 -9.999 -4.607 1.00 61.34 O ATOM 1708 CB ILE A 112 1.273 -7.146 -3.904 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.735 -5.892 -3.155 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.245 -7.255 -3.883 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.734 -5.061 -3.930 1.00 24.14 C ATOM 0 H ILE A 112 3.668 -7.266 -3.191 1.00 71.40 H new ATOM 0 HA ILE A 112 1.386 -8.664 -2.369 1.00 72.10 H new ATOM 0 HB ILE A 112 1.598 -7.063 -4.941 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.866 -5.277 -2.921 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.180 -6.189 -2.205 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.680 -6.356 -4.319 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.555 -8.125 -4.461 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.588 -7.362 -2.854 1.00 72.03 H new ATOM 0 HD11 ILE A 112 3.017 -4.189 -3.340 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.620 -5.660 -4.141 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.285 -4.734 -4.868 1.00 24.14 H new ATOM 1723 N ALA A 113 2.922 -10.046 -4.773 1.00 65.34 N ATOM 1724 CA ALA A 113 2.938 -11.147 -5.741 1.00 25.50 C ATOM 1725 C ALA A 113 3.032 -12.500 -5.046 1.00 50.32 C ATOM 1726 O ALA A 113 2.620 -13.522 -5.594 1.00 62.32 O ATOM 1727 CB ALA A 113 4.087 -10.982 -6.722 1.00 31.51 C ATOM 0 H ALA A 113 3.846 -9.699 -4.515 1.00 65.34 H new ATOM 0 HA ALA A 113 1.997 -11.114 -6.290 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.081 -11.809 -7.432 1.00 31.51 H new ATOM 0 HB2 ALA A 113 3.973 -10.041 -7.260 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.032 -10.977 -6.178 1.00 31.51 H new ATOM 1733 N GLU A 114 3.551 -12.490 -3.829 1.00 22.41 N ATOM 1734 CA GLU A 114 3.678 -13.705 -3.032 1.00 51.43 C ATOM 1735 C GLU A 114 2.743 -13.593 -1.844 1.00 52.15 C ATOM 1736 O GLU A 114 2.208 -14.581 -1.339 1.00 3.41 O ATOM 1737 CB GLU A 114 5.119 -13.892 -2.555 1.00 23.01 C ATOM 1738 CG GLU A 114 6.144 -13.834 -3.676 1.00 60.52 C ATOM 1739 CD GLU A 114 6.738 -15.192 -3.996 1.00 52.03 C ATOM 1740 OE1 GLU A 114 5.965 -16.167 -4.103 1.00 21.42 O ATOM 1741 OE2 GLU A 114 7.975 -15.280 -4.140 1.00 33.21 O ATOM 0 H GLU A 114 3.894 -11.648 -3.366 1.00 22.41 H new ATOM 0 HA GLU A 114 3.415 -14.572 -3.639 1.00 51.43 H new ATOM 0 HB2 GLU A 114 5.352 -13.121 -1.820 1.00 23.01 H new ATOM 0 HB3 GLU A 114 5.203 -14.853 -2.047 1.00 23.01 H new ATOM 0 HG2 GLU A 114 5.674 -13.427 -4.572 1.00 60.52 H new ATOM 0 HG3 GLU A 114 6.944 -13.149 -3.396 1.00 60.52 H new ATOM 1748 N ASN A 115 2.537 -12.351 -1.442 1.00 45.32 N ATOM 1749 CA ASN A 115 1.659 -12.000 -0.361 1.00 63.32 C ATOM 1750 C ASN A 115 0.254 -11.838 -0.905 1.00 23.34 C ATOM 1751 O ASN A 115 -0.733 -12.107 -0.221 1.00 24.10 O ATOM 1752 CB ASN A 115 2.147 -10.690 0.242 1.00 63.53 C ATOM 1753 CG ASN A 115 3.387 -10.883 1.079 1.00 20.43 C ATOM 1754 OD1 ASN A 115 3.321 -11.151 2.276 1.00 74.23 O ATOM 1755 ND2 ASN A 115 4.527 -10.754 0.430 1.00 70.42 N ATOM 0 H ASN A 115 2.991 -11.546 -1.874 1.00 45.32 H new ATOM 0 HA ASN A 115 1.654 -12.775 0.406 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.355 -9.978 -0.557 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.358 -10.257 0.857 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.411 -10.878 0.923 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.525 -10.530 -0.565 1.00 70.42 H new ATOM 1762 N GLY A 116 0.182 -11.396 -2.159 1.00 52.13 N ATOM 1763 CA GLY A 116 -1.089 -11.205 -2.798 1.00 0.40 C ATOM 1764 C GLY A 116 -1.647 -12.485 -3.377 1.00 4.13 C ATOM 1765 O GLY A 116 -0.906 -13.434 -3.631 1.00 12.25 O ATOM 0 H GLY A 116 0.991 -11.169 -2.737 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.797 -10.798 -2.076 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.985 -10.466 -3.593 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.952 -12.502 -3.609 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.607 -13.664 -4.192 1.00 65.20 C ATOM 1771 C LYS A 117 -3.553 -13.537 -5.697 1.00 20.51 C ATOM 1772 O LYS A 117 -3.419 -14.521 -6.423 1.00 72.22 O ATOM 1773 CB LYS A 117 -5.061 -13.760 -3.735 1.00 72.12 C ATOM 1774 CG LYS A 117 -5.223 -13.856 -2.228 1.00 74.02 C ATOM 1775 CD LYS A 117 -6.688 -13.961 -1.829 1.00 64.42 C ATOM 1776 CE LYS A 117 -7.015 -15.333 -1.259 1.00 24.11 C ATOM 1777 NZ LYS A 117 -8.358 -15.808 -1.691 1.00 51.02 N ATOM 0 H LYS A 117 -3.578 -11.724 -3.402 1.00 30.14 H new ATOM 0 HA LYS A 117 -3.093 -14.568 -3.865 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.604 -12.886 -4.095 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.521 -14.634 -4.197 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -4.681 -14.726 -1.858 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -4.779 -12.979 -1.757 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -6.920 -13.194 -1.090 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -7.317 -13.768 -2.698 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -6.257 -16.049 -1.578 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -6.977 -15.292 -0.170 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -8.475 -16.807 -1.426 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -9.094 -15.238 -1.227 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -8.445 -15.711 -2.723 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.643 -12.295 -6.146 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.587 -11.979 -7.553 1.00 54.21 C ATOM 1793 C TYR A 118 -2.208 -12.322 -8.113 1.00 31.22 C ATOM 1794 O TYR A 118 -2.054 -12.561 -9.310 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.885 -10.494 -7.749 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.244 -10.218 -8.350 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.472 -10.376 -9.711 1.00 22.41 C ATOM 1798 CD2 TYR A 118 -6.300 -9.800 -7.552 1.00 31.41 C ATOM 1799 CE1 TYR A 118 -6.716 -10.124 -10.259 1.00 2.21 C ATOM 1800 CE2 TYR A 118 -7.546 -9.546 -8.091 1.00 61.32 C ATOM 1801 CZ TYR A 118 -7.749 -9.710 -9.445 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.989 -9.458 -9.987 1.00 31.31 O ATOM 0 H TYR A 118 -3.757 -11.482 -5.540 1.00 41.14 H new ATOM 0 HA TYR A 118 -4.332 -12.568 -8.088 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.815 -9.989 -6.786 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -3.119 -10.061 -8.392 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.665 -10.701 -10.351 1.00 22.41 H new ATOM 0 HD2 TYR A 118 -6.145 -9.671 -6.491 1.00 31.41 H new ATOM 0 HE1 TYR A 118 -6.878 -10.251 -11.319 1.00 2.21 H new ATOM 0 HE2 TYR A 118 -8.357 -9.221 -7.456 1.00 61.32 H new ATOM 0 HH TYR A 118 -9.605 -9.176 -9.278 1.00 31.31 H new ATOM 1812 N LYS A 119 -1.205 -12.348 -7.230 1.00 14.21 N ATOM 1813 CA LYS A 119 0.160 -12.665 -7.631 1.00 21.52 C ATOM 1814 C LYS A 119 0.675 -11.679 -8.673 1.00 1.24 C ATOM 1815 O LYS A 119 1.410 -12.055 -9.586 1.00 32.33 O ATOM 1816 CB LYS A 119 0.243 -14.088 -8.184 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.666 -15.080 -7.480 1.00 41.10 C ATOM 1818 CD LYS A 119 -0.461 -15.051 -5.974 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.486 -16.450 -5.380 1.00 43.03 C ATOM 1820 NZ LYS A 119 -0.479 -16.421 -3.891 1.00 25.12 N ATOM 0 H LYS A 119 -1.317 -12.153 -6.235 1.00 14.21 H new ATOM 0 HA LYS A 119 0.788 -12.589 -6.743 1.00 21.52 H new ATOM 0 HB2 LYS A 119 -0.009 -14.070 -9.244 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.273 -14.437 -8.107 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.706 -14.850 -7.711 1.00 41.10 H new ATOM 0 HG3 LYS A 119 -0.471 -16.084 -7.856 1.00 41.10 H new ATOM 0 HD2 LYS A 119 0.492 -14.575 -5.745 1.00 73.22 H new ATOM 0 HD3 LYS A 119 -1.240 -14.445 -5.512 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -1.374 -16.977 -5.729 1.00 43.03 H new ATOM 0 HE3 LYS A 119 0.378 -17.011 -5.736 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 0.431 -16.783 -3.541 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 -0.612 -15.443 -3.562 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 -1.251 -17.016 -3.529 1.00 25.12 H new ATOM 1834 N ALA A 120 0.294 -10.416 -8.530 1.00 74.40 N ATOM 1835 CA ALA A 120 0.731 -9.385 -9.460 1.00 54.30 C ATOM 1836 C ALA A 120 2.236 -9.177 -9.359 1.00 30.52 C ATOM 1837 O ALA A 120 2.727 -8.573 -8.406 1.00 33.35 O ATOM 1838 CB ALA A 120 -0.007 -8.084 -9.194 1.00 64.55 C ATOM 0 H ALA A 120 -0.314 -10.083 -7.782 1.00 74.40 H new ATOM 0 HA ALA A 120 0.498 -9.713 -10.473 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.331 -7.323 -9.898 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -1.078 -8.242 -9.317 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.196 -7.752 -8.176 1.00 64.55 H new ATOM 1844 N ALA A 121 2.965 -9.684 -10.347 1.00 10.42 N ATOM 1845 CA ALA A 121 4.416 -9.558 -10.368 1.00 22.33 C ATOM 1846 C ALA A 121 4.949 -9.590 -11.796 1.00 32.25 C ATOM 1847 O ALA A 121 6.186 -9.583 -11.965 1.00 52.14 O ATOM 1848 CB ALA A 121 5.048 -10.666 -9.537 1.00 73.22 C ATOM 1849 OXT ALA A 121 4.125 -9.623 -12.734 1.00 38.03 O ATOM 0 H ALA A 121 2.574 -10.186 -11.144 1.00 10.42 H new ATOM 0 HA ALA A 121 4.683 -8.594 -9.934 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.133 -10.563 -9.559 1.00 73.22 H new ATOM 0 HB2 ALA A 121 4.697 -10.594 -8.507 1.00 73.22 H new ATOM 0 HB3 ALA A 121 4.767 -11.635 -9.949 1.00 73.22 H new