USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 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 13 TYR OH : rot -34:sc= 0.0694 USER MOD Set 1.2: A 34 THR OG1 : rot 74:sc= 1.92 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.137) USER MOD Single : A 12 LYS NZ :NH3+ -145:sc=-0.00759 (180deg=-0.463) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.473 K(o=0.47,f=-0.29) USER MOD Single : A 24 SER OG : rot -134:sc= 1.93 USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 1.1 (180deg=0.398) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0776) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot -79:sc= 1.24 USER MOD Single : A 67 GLN : amide:sc= 0.691 K(o=0.69,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 34 N PRO A 3 -10.206 -5.879 -7.598 1.00 0.00 N ATOM 35 CA PRO A 3 -10.079 -4.444 -7.824 1.00 0.00 C ATOM 36 C PRO A 3 -10.814 -3.622 -6.754 1.00 0.00 C ATOM 37 O PRO A 3 -10.291 -2.627 -6.259 1.00 0.00 O ATOM 38 CB PRO A 3 -10.646 -4.200 -9.226 1.00 0.00 C ATOM 39 CG PRO A 3 -10.359 -5.523 -9.937 1.00 0.00 C ATOM 40 CD PRO A 3 -10.567 -6.559 -8.832 1.00 0.00 C ATOM 0 HA PRO A 3 -9.040 -4.122 -7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.713 -3.978 -9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.158 -3.360 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.036 -5.686 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.345 -5.556 -10.335 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.601 -6.903 -8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.943 -7.438 -8.994 1.00 0.00 H new ATOM 48 N GLU A 4 -12.023 -4.058 -6.382 1.00 0.00 N ATOM 49 CA GLU A 4 -12.823 -3.433 -5.339 1.00 0.00 C ATOM 50 C GLU A 4 -12.073 -3.409 -4.007 1.00 0.00 C ATOM 51 O GLU A 4 -11.914 -2.361 -3.380 1.00 0.00 O ATOM 52 CB GLU A 4 -14.165 -4.171 -5.229 1.00 0.00 C ATOM 53 CG GLU A 4 -15.106 -3.528 -4.202 1.00 0.00 C ATOM 54 CD GLU A 4 -16.442 -4.263 -4.145 1.00 0.00 C ATOM 55 OE1 GLU A 4 -16.406 -5.474 -3.839 1.00 0.00 O ATOM 56 OE2 GLU A 4 -17.469 -3.605 -4.419 1.00 0.00 O ATOM 0 H GLU A 4 -12.474 -4.868 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.016 -2.393 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.651 -4.183 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.983 -5.209 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.638 -3.541 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.273 -2.483 -4.462 1.00 0.00 H new ATOM 63 N GLU A 5 -11.608 -4.575 -3.566 1.00 0.00 N ATOM 64 CA GLU A 5 -10.895 -4.669 -2.305 1.00 0.00 C ATOM 65 C GLU A 5 -9.615 -3.843 -2.391 1.00 0.00 C ATOM 66 O GLU A 5 -9.281 -3.114 -1.464 1.00 0.00 O ATOM 67 CB GLU A 5 -10.650 -6.142 -1.962 1.00 0.00 C ATOM 68 CG GLU A 5 -11.926 -6.832 -1.457 1.00 0.00 C ATOM 69 CD GLU A 5 -12.350 -6.319 -0.085 1.00 0.00 C ATOM 70 OE1 GLU A 5 -11.605 -6.603 0.878 1.00 0.00 O ATOM 71 OE2 GLU A 5 -13.401 -5.646 -0.027 1.00 0.00 O ATOM 0 H GLU A 5 -11.713 -5.460 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.486 -4.255 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.280 -6.664 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.873 -6.213 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.733 -6.668 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.760 -7.908 -1.406 1.00 0.00 H new ATOM 78 N LEU A 6 -8.928 -3.907 -3.528 1.00 0.00 N ATOM 79 CA LEU A 6 -7.734 -3.136 -3.804 1.00 0.00 C ATOM 80 C LEU A 6 -7.995 -1.638 -3.727 1.00 0.00 C ATOM 81 O LEU A 6 -7.147 -0.911 -3.226 1.00 0.00 O ATOM 82 CB LEU A 6 -7.137 -3.553 -5.149 1.00 0.00 C ATOM 83 CG LEU A 6 -6.469 -4.931 -4.999 1.00 0.00 C ATOM 84 CD1 LEU A 6 -6.232 -5.640 -6.330 1.00 0.00 C ATOM 85 CD2 LEU A 6 -5.100 -4.807 -4.324 1.00 0.00 C ATOM 0 H LEU A 6 -9.200 -4.516 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.999 -3.353 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.917 -3.594 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.406 -2.815 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.168 -5.513 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.758 -6.605 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.185 -5.793 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.583 -5.029 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.650 -5.795 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.453 -4.169 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.221 -4.368 -3.334 1.00 0.00 H new ATOM 97 N LYS A 7 -9.148 -1.158 -4.187 1.00 0.00 N ATOM 98 CA LYS A 7 -9.556 0.222 -3.954 1.00 0.00 C ATOM 99 C LYS A 7 -9.679 0.503 -2.461 1.00 0.00 C ATOM 100 O LYS A 7 -9.130 1.483 -1.963 1.00 0.00 O ATOM 101 CB LYS A 7 -10.875 0.522 -4.678 1.00 0.00 C ATOM 102 CG LYS A 7 -11.341 1.984 -4.584 1.00 0.00 C ATOM 103 CD LYS A 7 -10.313 2.992 -5.122 1.00 0.00 C ATOM 104 CE LYS A 7 -10.849 4.428 -5.122 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.970 4.601 -6.062 1.00 0.00 N ATOM 0 H LYS A 7 -9.817 -1.708 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.788 0.881 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.765 0.257 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.654 -0.120 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.273 2.096 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.560 2.221 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.409 2.944 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.030 2.712 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.176 4.693 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.045 5.115 -5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.168 5.615 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.719 4.185 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.815 4.125 -5.686 1.00 0.00 H new ATOM 119 N GLY A 8 -10.395 -0.363 -1.748 1.00 0.00 N ATOM 120 CA GLY A 8 -10.606 -0.215 -0.310 1.00 0.00 C ATOM 121 C GLY A 8 -9.267 -0.064 0.416 1.00 0.00 C ATOM 122 O GLY A 8 -9.033 0.893 1.152 1.00 0.00 O ATOM 0 H GLY A 8 -10.845 -1.186 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.232 0.656 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.140 -1.083 0.076 1.00 0.00 H new ATOM 126 N ILE A 9 -8.371 -1.014 0.157 1.00 0.00 N ATOM 127 CA ILE A 9 -6.981 -1.019 0.583 1.00 0.00 C ATOM 128 C ILE A 9 -6.311 0.294 0.188 1.00 0.00 C ATOM 129 O ILE A 9 -5.776 1.000 1.037 1.00 0.00 O ATOM 130 CB ILE A 9 -6.305 -2.251 -0.039 1.00 0.00 C ATOM 131 CG1 ILE A 9 -6.884 -3.509 0.631 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.782 -2.207 0.095 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.375 -4.798 -0.010 1.00 0.00 C ATOM 0 H ILE A 9 -8.612 -1.844 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.894 -1.089 1.667 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.512 -2.266 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.624 -3.506 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.972 -3.481 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.351 -3.099 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.398 -1.321 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.510 -2.170 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.814 -5.656 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.658 -4.817 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.289 -4.842 0.074 1.00 0.00 H new ATOM 145 N PHE A 10 -6.328 0.620 -1.103 1.00 0.00 N ATOM 146 CA PHE A 10 -5.685 1.805 -1.625 1.00 0.00 C ATOM 147 C PHE A 10 -6.087 3.011 -0.777 1.00 0.00 C ATOM 148 O PHE A 10 -5.223 3.731 -0.293 1.00 0.00 O ATOM 149 CB PHE A 10 -6.046 1.981 -3.102 1.00 0.00 C ATOM 150 CG PHE A 10 -5.364 3.166 -3.733 1.00 0.00 C ATOM 151 CD1 PHE A 10 -5.926 4.445 -3.585 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.188 2.995 -4.486 1.00 0.00 C ATOM 153 CE1 PHE A 10 -5.272 5.556 -4.125 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.542 4.113 -5.038 1.00 0.00 C ATOM 155 CZ PHE A 10 -4.067 5.396 -4.825 1.00 0.00 C ATOM 0 H PHE A 10 -6.795 0.058 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.601 1.708 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.773 1.078 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.126 2.097 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.859 4.569 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.783 2.006 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.696 6.542 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.644 3.985 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.543 6.262 -5.201 1.00 0.00 H new ATOM 165 N GLU A 11 -7.390 3.187 -0.545 1.00 0.00 N ATOM 166 CA GLU A 11 -7.911 4.275 0.267 1.00 0.00 C ATOM 167 C GLU A 11 -7.386 4.179 1.703 1.00 0.00 C ATOM 168 O GLU A 11 -6.829 5.152 2.211 1.00 0.00 O ATOM 169 CB GLU A 11 -9.443 4.271 0.223 1.00 0.00 C ATOM 170 CG GLU A 11 -9.956 4.632 -1.179 1.00 0.00 C ATOM 171 CD GLU A 11 -11.470 4.485 -1.271 1.00 0.00 C ATOM 172 OE1 GLU A 11 -11.939 3.333 -1.148 1.00 0.00 O ATOM 173 OE2 GLU A 11 -12.132 5.526 -1.473 1.00 0.00 O ATOM 0 H GLU A 11 -8.112 2.572 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.563 5.224 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.816 3.287 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.833 4.983 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.673 5.657 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.481 3.988 -1.919 1.00 0.00 H new ATOM 180 N LYS A 12 -7.559 3.018 2.349 1.00 0.00 N ATOM 181 CA LYS A 12 -7.081 2.753 3.705 1.00 0.00 C ATOM 182 C LYS A 12 -5.646 3.245 3.885 1.00 0.00 C ATOM 183 O LYS A 12 -5.339 3.947 4.847 1.00 0.00 O ATOM 184 CB LYS A 12 -7.205 1.250 4.036 1.00 0.00 C ATOM 185 CG LYS A 12 -6.367 0.845 5.264 1.00 0.00 C ATOM 186 CD LYS A 12 -6.939 -0.342 6.059 1.00 0.00 C ATOM 187 CE LYS A 12 -6.458 -1.718 5.584 1.00 0.00 C ATOM 188 NZ LYS A 12 -6.817 -1.977 4.183 1.00 0.00 N ATOM 0 H LYS A 12 -8.045 2.224 1.932 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.707 3.306 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.252 1.007 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.887 0.664 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.359 0.594 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.280 1.704 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.673 -0.221 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.027 -0.312 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.376 -1.782 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.892 -2.492 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.036 -2.986 4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.649 -1.409 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.020 -1.720 3.567 1.00 0.00 H new ATOM 202 N TYR A 13 -4.762 2.855 2.970 1.00 0.00 N ATOM 203 CA TYR A 13 -3.356 3.178 3.092 1.00 0.00 C ATOM 204 C TYR A 13 -3.114 4.635 2.685 1.00 0.00 C ATOM 205 O TYR A 13 -2.567 5.415 3.461 1.00 0.00 O ATOM 206 CB TYR A 13 -2.534 2.126 2.340 1.00 0.00 C ATOM 207 CG TYR A 13 -2.458 0.819 3.119 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.596 0.744 4.226 1.00 0.00 C ATOM 209 CD2 TYR A 13 -3.364 -0.234 2.883 1.00 0.00 C ATOM 210 CE1 TYR A 13 -1.620 -0.380 5.071 1.00 0.00 C ATOM 211 CE2 TYR A 13 -3.353 -1.383 3.688 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.510 -1.435 4.808 1.00 0.00 C ATOM 213 OH TYR A 13 -2.620 -2.471 5.681 1.00 0.00 O ATOM 0 H TYR A 13 -5.001 2.315 2.138 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.016 3.127 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.981 1.943 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.527 2.506 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.911 1.554 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.075 -0.156 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.955 -0.432 5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.989 -2.222 3.447 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.747 -2.648 6.091 1.00 0.00 H new ATOM 223 N ALA A 14 -3.573 5.025 1.499 1.00 0.00 N ATOM 224 CA ALA A 14 -3.434 6.369 0.940 1.00 0.00 C ATOM 225 C ALA A 14 -3.878 7.460 1.909 1.00 0.00 C ATOM 226 O ALA A 14 -3.241 8.507 1.989 1.00 0.00 O ATOM 227 CB ALA A 14 -4.204 6.478 -0.375 1.00 0.00 C ATOM 0 H ALA A 14 -4.072 4.390 0.876 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.372 6.527 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.092 7.484 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.811 5.754 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.260 6.275 -0.196 1.00 0.00 H new ATOM 233 N ALA A 15 -4.940 7.209 2.675 1.00 0.00 N ATOM 234 CA ALA A 15 -5.394 8.104 3.732 1.00 0.00 C ATOM 235 C ALA A 15 -4.225 8.635 4.573 1.00 0.00 C ATOM 236 O ALA A 15 -4.171 9.825 4.871 1.00 0.00 O ATOM 237 CB ALA A 15 -6.408 7.383 4.622 1.00 0.00 C ATOM 0 H ALA A 15 -5.512 6.370 2.576 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.871 8.964 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.744 8.057 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.263 7.072 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.941 6.506 5.069 1.00 0.00 H new ATOM 299 N PRO A 20 -6.249 10.618 0.028 1.00 0.00 N ATOM 300 CA PRO A 20 -6.763 9.270 -0.200 1.00 0.00 C ATOM 301 C PRO A 20 -6.583 8.787 -1.643 1.00 0.00 C ATOM 302 O PRO A 20 -6.634 7.589 -1.904 1.00 0.00 O ATOM 303 CB PRO A 20 -8.249 9.319 0.154 1.00 0.00 C ATOM 304 CG PRO A 20 -8.616 10.796 0.056 1.00 0.00 C ATOM 305 CD PRO A 20 -7.324 11.503 0.454 1.00 0.00 C ATOM 0 HA PRO A 20 -6.206 8.562 0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.841 8.716 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.431 8.930 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.929 11.067 -0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.438 11.052 0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.245 12.477 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.287 11.676 1.529 1.00 0.00 H new ATOM 313 N ASN A 21 -6.413 9.709 -2.590 1.00 0.00 N ATOM 314 CA ASN A 21 -6.269 9.397 -3.999 1.00 0.00 C ATOM 315 C ASN A 21 -4.854 8.938 -4.362 1.00 0.00 C ATOM 316 O ASN A 21 -4.646 8.576 -5.521 1.00 0.00 O ATOM 317 CB ASN A 21 -6.619 10.632 -4.832 1.00 0.00 C ATOM 318 CG ASN A 21 -8.015 11.170 -4.547 1.00 0.00 C ATOM 319 OD1 ASN A 21 -9.001 10.685 -5.092 1.00 0.00 O ATOM 320 ND2 ASN A 21 -8.109 12.182 -3.691 1.00 0.00 N ATOM 0 H ASN A 21 -6.372 10.708 -2.389 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.949 8.573 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.887 11.415 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.541 10.383 -5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.022 12.579 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.268 12.561 -3.256 1.00 0.00 H new ATOM 327 N GLN A 22 -3.888 8.958 -3.431 1.00 0.00 N ATOM 328 CA GLN A 22 -2.481 8.766 -3.775 1.00 0.00 C ATOM 329 C GLN A 22 -1.674 8.057 -2.673 1.00 0.00 C ATOM 330 O GLN A 22 -1.802 8.392 -1.499 1.00 0.00 O ATOM 331 CB GLN A 22 -1.936 10.151 -4.129 1.00 0.00 C ATOM 332 CG GLN A 22 -0.515 10.134 -4.689 1.00 0.00 C ATOM 333 CD GLN A 22 -0.223 11.456 -5.391 1.00 0.00 C ATOM 334 OE1 GLN A 22 -0.614 11.646 -6.537 1.00 0.00 O ATOM 335 NE2 GLN A 22 0.459 12.381 -4.723 1.00 0.00 N ATOM 0 H GLN A 22 -4.061 9.105 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.384 8.088 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.598 10.615 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.957 10.777 -3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.202 9.973 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.400 9.306 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.772 12.195 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.669 13.277 -5.163 1.00 0.00 H new ATOM 344 N LEU A 23 -0.842 7.074 -3.055 1.00 0.00 N ATOM 345 CA LEU A 23 0.037 6.327 -2.167 1.00 0.00 C ATOM 346 C LEU A 23 1.491 6.788 -2.312 1.00 0.00 C ATOM 347 O LEU A 23 2.011 6.864 -3.428 1.00 0.00 O ATOM 348 CB LEU A 23 0.018 4.844 -2.542 1.00 0.00 C ATOM 349 CG LEU A 23 -1.311 4.107 -2.337 1.00 0.00 C ATOM 350 CD1 LEU A 23 -1.219 2.749 -3.031 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.598 3.829 -0.862 1.00 0.00 C ATOM 0 H LEU A 23 -0.767 6.774 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.319 6.493 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.301 4.753 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.785 4.334 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.102 4.739 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.156 2.208 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.034 2.896 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.402 2.173 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.550 3.306 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.802 3.211 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.647 4.772 -0.317 1.00 0.00 H new ATOM 363 N SER A 24 2.167 7.020 -1.185 1.00 0.00 N ATOM 364 CA SER A 24 3.605 7.222 -1.130 1.00 0.00 C ATOM 365 C SER A 24 4.301 5.857 -1.176 1.00 0.00 C ATOM 366 O SER A 24 3.646 4.815 -1.091 1.00 0.00 O ATOM 367 CB SER A 24 3.950 7.945 0.177 1.00 0.00 C ATOM 368 OG SER A 24 3.750 7.067 1.272 1.00 0.00 O ATOM 0 H SER A 24 1.716 7.073 -0.271 1.00 0.00 H new ATOM 0 HA SER A 24 3.940 7.823 -1.976 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.985 8.285 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.326 8.832 0.290 1.00 0.00 H new ATOM 0 HG SER A 24 3.260 7.534 1.981 1.00 0.00 H new ATOM 374 N LYS A 25 5.639 5.852 -1.243 1.00 0.00 N ATOM 375 CA LYS A 25 6.401 4.621 -1.074 1.00 0.00 C ATOM 376 C LYS A 25 6.062 3.970 0.266 1.00 0.00 C ATOM 377 O LYS A 25 5.941 2.752 0.345 1.00 0.00 O ATOM 378 CB LYS A 25 7.915 4.881 -1.133 1.00 0.00 C ATOM 379 CG LYS A 25 8.421 5.217 -2.539 1.00 0.00 C ATOM 380 CD LYS A 25 9.955 5.251 -2.563 1.00 0.00 C ATOM 381 CE LYS A 25 10.493 5.545 -3.970 1.00 0.00 C ATOM 382 NZ LYS A 25 10.204 6.927 -4.389 1.00 0.00 N ATOM 0 H LYS A 25 6.207 6.682 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 25 6.129 3.955 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.161 5.703 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.442 4.000 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.056 4.476 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.025 6.182 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.313 6.012 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.346 4.294 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.570 5.377 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.049 4.849 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.990 7.286 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.327 6.944 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.090 7.528 -3.548 1.00 0.00 H new ATOM 396 N GLU A 26 5.926 4.771 1.324 1.00 0.00 N ATOM 397 CA GLU A 26 5.694 4.251 2.661 1.00 0.00 C ATOM 398 C GLU A 26 4.313 3.629 2.750 1.00 0.00 C ATOM 399 O GLU A 26 4.156 2.511 3.237 1.00 0.00 O ATOM 400 CB GLU A 26 5.859 5.363 3.703 1.00 0.00 C ATOM 401 CG GLU A 26 7.204 6.077 3.538 1.00 0.00 C ATOM 402 CD GLU A 26 7.510 6.965 4.738 1.00 0.00 C ATOM 403 OE1 GLU A 26 8.056 6.420 5.722 1.00 0.00 O ATOM 404 OE2 GLU A 26 7.184 8.169 4.651 1.00 0.00 O ATOM 0 H GLU A 26 5.974 5.789 1.274 1.00 0.00 H new ATOM 0 HA GLU A 26 6.433 3.477 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.047 6.083 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.789 4.940 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.997 5.339 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.189 6.681 2.631 1.00 0.00 H new ATOM 411 N GLU A 27 3.316 4.350 2.247 1.00 0.00 N ATOM 412 CA GLU A 27 1.970 3.808 2.176 1.00 0.00 C ATOM 413 C GLU A 27 1.979 2.504 1.374 1.00 0.00 C ATOM 414 O GLU A 27 1.432 1.510 1.846 1.00 0.00 O ATOM 415 CB GLU A 27 0.983 4.844 1.633 1.00 0.00 C ATOM 416 CG GLU A 27 0.434 5.764 2.735 1.00 0.00 C ATOM 417 CD GLU A 27 1.498 6.571 3.470 1.00 0.00 C ATOM 418 OE1 GLU A 27 1.813 7.677 2.980 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.981 6.067 4.507 1.00 0.00 O ATOM 0 H GLU A 27 3.415 5.299 1.887 1.00 0.00 H new ATOM 0 HA GLU A 27 1.622 3.568 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.477 5.448 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.154 4.331 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.285 6.453 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.110 5.158 3.460 1.00 0.00 H new ATOM 426 N LEU A 28 2.633 2.464 0.204 1.00 0.00 N ATOM 427 CA LEU A 28 2.818 1.201 -0.506 1.00 0.00 C ATOM 428 C LEU A 28 3.509 0.149 0.331 1.00 0.00 C ATOM 429 O LEU A 28 3.104 -1.003 0.305 1.00 0.00 O ATOM 430 CB LEU A 28 3.573 1.396 -1.822 1.00 0.00 C ATOM 431 CG LEU A 28 2.571 1.872 -2.865 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.272 2.647 -3.970 1.00 0.00 C ATOM 433 CD2 LEU A 28 1.800 0.701 -3.493 1.00 0.00 C ATOM 0 H LEU A 28 3.034 3.279 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 28 1.813 0.840 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.373 2.126 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.039 0.462 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 28 1.863 2.520 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.538 2.978 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.775 3.515 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.007 2.004 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.096 1.084 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.501 0.022 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.255 0.165 -2.716 1.00 0.00 H new ATOM 445 N LYS A 29 4.559 0.502 1.054 1.00 0.00 N ATOM 446 CA LYS A 29 5.295 -0.488 1.816 1.00 0.00 C ATOM 447 C LYS A 29 4.381 -1.119 2.854 1.00 0.00 C ATOM 448 O LYS A 29 4.327 -2.336 2.982 1.00 0.00 O ATOM 449 CB LYS A 29 6.486 0.196 2.483 1.00 0.00 C ATOM 450 CG LYS A 29 7.416 -0.810 3.173 1.00 0.00 C ATOM 451 CD LYS A 29 8.628 -0.083 3.768 1.00 0.00 C ATOM 452 CE LYS A 29 9.611 -1.062 4.421 1.00 0.00 C ATOM 453 NZ LYS A 29 9.010 -1.768 5.568 1.00 0.00 N ATOM 0 H LYS A 29 4.916 1.455 1.128 1.00 0.00 H new ATOM 0 HA LYS A 29 5.658 -1.279 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.048 0.755 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.125 0.918 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.876 -1.337 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.748 -1.561 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.138 0.476 2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.290 0.642 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.943 -1.790 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.496 -0.519 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.740 -2.329 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.610 -1.074 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.255 -2.399 5.231 1.00 0.00 H new ATOM 467 N LEU A 30 3.665 -0.280 3.593 1.00 0.00 N ATOM 468 CA LEU A 30 2.713 -0.745 4.592 1.00 0.00 C ATOM 469 C LEU A 30 1.598 -1.576 3.953 1.00 0.00 C ATOM 470 O LEU A 30 1.274 -2.663 4.437 1.00 0.00 O ATOM 471 CB LEU A 30 2.164 0.440 5.397 1.00 0.00 C ATOM 472 CG LEU A 30 3.246 1.165 6.216 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.646 2.440 6.813 1.00 0.00 C ATOM 474 CD2 LEU A 30 3.796 0.292 7.351 1.00 0.00 C ATOM 0 H LEU A 30 3.728 0.735 3.517 1.00 0.00 H new ATOM 0 HA LEU A 30 3.233 -1.404 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.696 1.150 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.384 0.084 6.070 1.00 0.00 H new ATOM 0 HG LEU A 30 4.073 1.398 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.405 2.961 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.297 3.088 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.808 2.180 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.557 0.847 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.985 0.021 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.238 -0.613 6.933 1.00 0.00 H new ATOM 486 N LEU A 31 1.031 -1.076 2.854 1.00 0.00 N ATOM 487 CA LEU A 31 0.038 -1.779 2.052 1.00 0.00 C ATOM 488 C LEU A 31 0.543 -3.178 1.733 1.00 0.00 C ATOM 489 O LEU A 31 -0.090 -4.174 2.081 1.00 0.00 O ATOM 490 CB LEU A 31 -0.270 -0.957 0.790 1.00 0.00 C ATOM 491 CG LEU A 31 -1.410 -1.477 -0.099 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.832 -0.344 -1.045 1.00 0.00 C ATOM 493 CD2 LEU A 31 -1.029 -2.692 -0.958 1.00 0.00 C ATOM 0 H LEU A 31 1.257 -0.150 2.492 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.896 -1.891 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.511 0.061 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.637 -0.903 0.187 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.210 -1.796 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.642 -0.689 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.172 0.511 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.982 -0.048 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.887 -2.998 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.203 -2.426 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.726 -3.515 -0.310 1.00 0.00 H new ATOM 505 N LEU A 32 1.704 -3.242 1.084 1.00 0.00 N ATOM 506 CA LEU A 32 2.314 -4.491 0.670 1.00 0.00 C ATOM 507 C LEU A 32 2.524 -5.375 1.897 1.00 0.00 C ATOM 508 O LEU A 32 2.071 -6.509 1.925 1.00 0.00 O ATOM 509 CB LEU A 32 3.647 -4.216 -0.042 1.00 0.00 C ATOM 510 CG LEU A 32 3.492 -3.529 -1.410 1.00 0.00 C ATOM 511 CD1 LEU A 32 4.825 -2.896 -1.831 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.079 -4.534 -2.482 1.00 0.00 C ATOM 0 H LEU A 32 2.248 -2.417 0.831 1.00 0.00 H new ATOM 0 HA LEU A 32 1.659 -5.008 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.268 -3.591 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.177 -5.159 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 32 2.721 -2.765 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.708 -2.412 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.127 -2.156 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.589 -3.670 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.976 -4.023 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.839 -5.311 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.126 -4.987 -2.208 1.00 0.00 H new ATOM 524 N GLN A 33 3.182 -4.860 2.933 1.00 0.00 N ATOM 525 CA GLN A 33 3.494 -5.614 4.135 1.00 0.00 C ATOM 526 C GLN A 33 2.254 -6.272 4.731 1.00 0.00 C ATOM 527 O GLN A 33 2.288 -7.449 5.082 1.00 0.00 O ATOM 528 CB GLN A 33 4.213 -4.701 5.137 1.00 0.00 C ATOM 529 CG GLN A 33 4.639 -5.443 6.408 1.00 0.00 C ATOM 530 CD GLN A 33 5.529 -4.565 7.280 1.00 0.00 C ATOM 531 OE1 GLN A 33 5.096 -4.043 8.301 1.00 0.00 O ATOM 532 NE2 GLN A 33 6.788 -4.389 6.886 1.00 0.00 N ATOM 0 H GLN A 33 3.515 -3.896 2.957 1.00 0.00 H new ATOM 0 HA GLN A 33 4.165 -6.433 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.093 -4.267 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.556 -3.874 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.756 -5.744 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.172 -6.355 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.122 -4.835 6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.419 -3.808 7.438 1.00 0.00 H new ATOM 541 N THR A 34 1.168 -5.511 4.856 1.00 0.00 N ATOM 542 CA THR A 34 -0.039 -6.023 5.488 1.00 0.00 C ATOM 543 C THR A 34 -0.790 -6.980 4.553 1.00 0.00 C ATOM 544 O THR A 34 -1.169 -8.077 4.955 1.00 0.00 O ATOM 545 CB THR A 34 -0.976 -4.879 5.911 1.00 0.00 C ATOM 546 OG1 THR A 34 -0.293 -3.750 6.429 1.00 0.00 O ATOM 547 CG2 THR A 34 -1.956 -5.367 6.984 1.00 0.00 C ATOM 0 H THR A 34 1.102 -4.547 4.530 1.00 0.00 H new ATOM 0 HA THR A 34 0.273 -6.569 6.378 1.00 0.00 H new ATOM 0 HB THR A 34 -1.495 -4.574 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.141 -3.265 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.614 -4.548 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.553 -6.188 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.399 -5.713 7.855 1.00 0.00 H new ATOM 555 N GLU A 35 -1.048 -6.541 3.318 1.00 0.00 N ATOM 556 CA GLU A 35 -1.975 -7.192 2.412 1.00 0.00 C ATOM 557 C GLU A 35 -1.301 -8.243 1.527 1.00 0.00 C ATOM 558 O GLU A 35 -1.937 -9.223 1.147 1.00 0.00 O ATOM 559 CB GLU A 35 -2.672 -6.096 1.590 1.00 0.00 C ATOM 560 CG GLU A 35 -3.378 -5.041 2.458 1.00 0.00 C ATOM 561 CD GLU A 35 -4.439 -5.634 3.374 1.00 0.00 C ATOM 562 OE1 GLU A 35 -5.472 -6.077 2.827 1.00 0.00 O ATOM 563 OE2 GLU A 35 -4.202 -5.630 4.600 1.00 0.00 O ATOM 0 H GLU A 35 -0.608 -5.711 2.922 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.712 -7.752 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.935 -5.602 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.403 -6.558 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.635 -4.520 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.841 -4.297 1.810 1.00 0.00 H new ATOM 570 N PHE A 36 -0.027 -8.033 1.188 1.00 0.00 N ATOM 571 CA PHE A 36 0.726 -8.841 0.238 1.00 0.00 C ATOM 572 C PHE A 36 2.206 -8.950 0.637 1.00 0.00 C ATOM 573 O PHE A 36 3.076 -8.419 -0.062 1.00 0.00 O ATOM 574 CB PHE A 36 0.614 -8.207 -1.149 1.00 0.00 C ATOM 575 CG PHE A 36 -0.788 -8.086 -1.702 1.00 0.00 C ATOM 576 CD1 PHE A 36 -1.452 -9.238 -2.165 1.00 0.00 C ATOM 577 CD2 PHE A 36 -1.383 -6.820 -1.852 1.00 0.00 C ATOM 578 CE1 PHE A 36 -2.704 -9.124 -2.790 1.00 0.00 C ATOM 579 CE2 PHE A 36 -2.632 -6.708 -2.492 1.00 0.00 C ATOM 580 CZ PHE A 36 -3.292 -7.861 -2.950 1.00 0.00 C ATOM 0 H PHE A 36 0.523 -7.270 1.583 1.00 0.00 H new ATOM 0 HA PHE A 36 0.308 -9.848 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.057 -7.212 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.211 -8.795 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.998 -10.210 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.884 -5.938 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.213 -10.007 -3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.083 -5.736 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.257 -7.774 -3.428 1.00 0.00 H new ATOM 714 N LEU A 46 11.078 -2.137 -3.797 1.00 0.00 N ATOM 715 CA LEU A 46 9.896 -1.302 -3.669 1.00 0.00 C ATOM 716 C LEU A 46 10.043 -0.108 -4.594 1.00 0.00 C ATOM 717 O LEU A 46 9.106 0.290 -5.272 1.00 0.00 O ATOM 718 CB LEU A 46 9.774 -0.773 -2.234 1.00 0.00 C ATOM 719 CG LEU A 46 10.003 -1.807 -1.131 1.00 0.00 C ATOM 720 CD1 LEU A 46 9.794 -1.143 0.234 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.066 -3.012 -1.263 1.00 0.00 C ATOM 0 HA LEU A 46 9.015 -1.892 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.490 0.038 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.780 -0.345 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 46 11.025 -2.175 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.956 -1.876 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.501 -0.321 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.776 -0.758 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.266 -3.719 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.031 -2.676 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.233 -3.500 -2.223 1.00 0.00 H new ATOM 733 N ASP A 47 11.249 0.456 -4.597 1.00 0.00 N ATOM 734 CA ASP A 47 11.635 1.554 -5.460 1.00 0.00 C ATOM 735 C ASP A 47 11.319 1.221 -6.914 1.00 0.00 C ATOM 736 O ASP A 47 10.507 1.891 -7.548 1.00 0.00 O ATOM 737 CB ASP A 47 13.119 1.858 -5.240 1.00 0.00 C ATOM 738 CG ASP A 47 13.401 2.251 -3.795 1.00 0.00 C ATOM 739 OD1 ASP A 47 13.482 1.314 -2.969 1.00 0.00 O ATOM 740 OD2 ASP A 47 13.502 3.470 -3.539 1.00 0.00 O ATOM 0 H ASP A 47 12.000 0.148 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 47 11.064 2.449 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.713 0.983 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.429 2.665 -5.904 1.00 0.00 H new ATOM 745 N GLU A 48 11.925 0.154 -7.433 1.00 0.00 N ATOM 746 CA GLU A 48 11.697 -0.260 -8.809 1.00 0.00 C ATOM 747 C GLU A 48 10.205 -0.430 -9.084 1.00 0.00 C ATOM 748 O GLU A 48 9.702 0.072 -10.089 1.00 0.00 O ATOM 749 CB GLU A 48 12.494 -1.526 -9.140 1.00 0.00 C ATOM 750 CG GLU A 48 12.409 -1.863 -10.636 1.00 0.00 C ATOM 751 CD GLU A 48 13.160 -3.149 -10.951 1.00 0.00 C ATOM 752 OE1 GLU A 48 14.407 -3.092 -10.979 1.00 0.00 O ATOM 753 OE2 GLU A 48 12.470 -4.180 -11.110 1.00 0.00 O ATOM 0 H GLU A 48 12.577 -0.437 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 48 12.059 0.527 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.537 -1.387 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.112 -2.362 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.365 -1.967 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.825 -1.043 -11.221 1.00 0.00 H new ATOM 760 N LEU A 49 9.493 -1.110 -8.183 1.00 0.00 N ATOM 761 CA LEU A 49 8.051 -1.261 -8.323 1.00 0.00 C ATOM 762 C LEU A 49 7.378 0.111 -8.420 1.00 0.00 C ATOM 763 O LEU A 49 6.598 0.358 -9.330 1.00 0.00 O ATOM 764 CB LEU A 49 7.465 -2.109 -7.185 1.00 0.00 C ATOM 765 CG LEU A 49 7.898 -3.586 -7.234 1.00 0.00 C ATOM 766 CD1 LEU A 49 7.496 -4.273 -5.924 1.00 0.00 C ATOM 767 CD2 LEU A 49 7.252 -4.336 -8.407 1.00 0.00 C ATOM 0 H LEU A 49 9.890 -1.559 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 49 7.849 -1.797 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.769 -1.681 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.377 -2.056 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 49 8.979 -3.611 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.800 -5.319 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.986 -3.776 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.415 -4.213 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.585 -5.374 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.167 -4.303 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.544 -3.865 -9.345 1.00 0.00 H new ATOM 779 N PHE A 50 7.700 1.019 -7.505 1.00 0.00 N ATOM 780 CA PHE A 50 7.139 2.358 -7.439 1.00 0.00 C ATOM 781 C PHE A 50 7.325 3.081 -8.772 1.00 0.00 C ATOM 782 O PHE A 50 6.357 3.579 -9.343 1.00 0.00 O ATOM 783 CB PHE A 50 7.794 3.113 -6.281 1.00 0.00 C ATOM 784 CG PHE A 50 7.198 4.470 -5.982 1.00 0.00 C ATOM 785 CD1 PHE A 50 6.150 4.570 -5.055 1.00 0.00 C ATOM 786 CD2 PHE A 50 7.772 5.639 -6.512 1.00 0.00 C ATOM 787 CE1 PHE A 50 5.775 5.822 -4.547 1.00 0.00 C ATOM 788 CE2 PHE A 50 7.391 6.894 -6.011 1.00 0.00 C ATOM 789 CZ PHE A 50 6.458 6.973 -4.965 1.00 0.00 C ATOM 0 H PHE A 50 8.380 0.835 -6.767 1.00 0.00 H new ATOM 0 HA PHE A 50 6.066 2.306 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.728 2.498 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.854 3.240 -6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.630 3.680 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.504 5.572 -7.303 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.964 5.899 -3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.814 7.795 -6.429 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.266 7.920 -4.482 1.00 0.00 H new ATOM 799 N GLU A 51 8.560 3.103 -9.287 1.00 0.00 N ATOM 800 CA GLU A 51 8.832 3.666 -10.605 1.00 0.00 C ATOM 801 C GLU A 51 7.970 2.982 -11.670 1.00 0.00 C ATOM 802 O GLU A 51 7.350 3.647 -12.495 1.00 0.00 O ATOM 803 CB GLU A 51 10.323 3.549 -10.958 1.00 0.00 C ATOM 804 CG GLU A 51 11.207 4.618 -10.293 1.00 0.00 C ATOM 805 CD GLU A 51 11.556 4.318 -8.839 1.00 0.00 C ATOM 806 OE1 GLU A 51 12.563 3.604 -8.636 1.00 0.00 O ATOM 807 OE2 GLU A 51 10.833 4.829 -7.956 1.00 0.00 O ATOM 0 H GLU A 51 9.383 2.737 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 51 8.575 4.725 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.680 2.562 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.437 3.619 -12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.130 4.718 -10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.696 5.579 -10.342 1.00 0.00 H new ATOM 814 N GLU A 52 7.947 1.648 -11.653 1.00 0.00 N ATOM 815 CA GLU A 52 7.180 0.855 -12.603 1.00 0.00 C ATOM 816 C GLU A 52 5.705 1.256 -12.603 1.00 0.00 C ATOM 817 O GLU A 52 5.099 1.374 -13.664 1.00 0.00 O ATOM 818 CB GLU A 52 7.374 -0.645 -12.336 1.00 0.00 C ATOM 819 CG GLU A 52 6.799 -1.502 -13.468 1.00 0.00 C ATOM 820 CD GLU A 52 6.930 -2.987 -13.148 1.00 0.00 C ATOM 821 OE1 GLU A 52 6.105 -3.465 -12.340 1.00 0.00 O ATOM 822 OE2 GLU A 52 7.842 -3.619 -13.723 1.00 0.00 O ATOM 0 H GLU A 52 8.464 1.089 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 52 7.558 1.061 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.436 -0.860 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.891 -0.913 -11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.750 -1.251 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.321 -1.279 -14.399 1.00 0.00 H new ATOM 829 N LEU A 53 5.115 1.453 -11.426 1.00 0.00 N ATOM 830 CA LEU A 53 3.748 1.916 -11.315 1.00 0.00 C ATOM 831 C LEU A 53 3.636 3.337 -11.863 1.00 0.00 C ATOM 832 O LEU A 53 2.853 3.602 -12.776 1.00 0.00 O ATOM 833 CB LEU A 53 3.272 1.824 -9.859 1.00 0.00 C ATOM 834 CG LEU A 53 3.281 0.412 -9.245 1.00 0.00 C ATOM 835 CD1 LEU A 53 2.617 0.442 -7.864 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.587 -0.628 -10.125 1.00 0.00 C ATOM 0 H LEU A 53 5.575 1.295 -10.530 1.00 0.00 H new ATOM 0 HA LEU A 53 3.097 1.277 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.902 2.471 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.258 2.220 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 53 4.325 0.112 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.626 -0.560 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.165 1.122 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.587 0.785 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.627 -1.602 -9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.547 -0.340 -10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.092 -0.684 -11.089 1.00 0.00 H new ATOM 848 N ASP A 54 4.429 4.255 -11.313 1.00 0.00 N ATOM 849 CA ASP A 54 4.372 5.675 -11.635 1.00 0.00 C ATOM 850 C ASP A 54 5.101 5.967 -12.950 1.00 0.00 C ATOM 851 O ASP A 54 6.030 6.771 -12.990 1.00 0.00 O ATOM 852 CB ASP A 54 4.900 6.481 -10.433 1.00 0.00 C ATOM 853 CG ASP A 54 4.836 8.003 -10.587 1.00 0.00 C ATOM 854 OD1 ASP A 54 4.073 8.491 -11.448 1.00 0.00 O ATOM 855 OD2 ASP A 54 5.566 8.679 -9.830 1.00 0.00 O ATOM 0 H ASP A 54 5.141 4.026 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 54 3.342 5.988 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.330 6.198 -9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.936 6.194 -10.251 1.00 0.00 H new ATOM 922 N GLU A 60 4.442 9.993 -6.768 1.00 0.00 N ATOM 923 CA GLU A 60 3.687 9.077 -5.921 1.00 0.00 C ATOM 924 C GLU A 60 2.707 8.311 -6.810 1.00 0.00 C ATOM 925 O GLU A 60 2.661 8.561 -8.010 1.00 0.00 O ATOM 926 CB GLU A 60 2.987 9.864 -4.806 1.00 0.00 C ATOM 927 CG GLU A 60 3.985 10.528 -3.848 1.00 0.00 C ATOM 928 CD GLU A 60 3.304 11.086 -2.604 1.00 0.00 C ATOM 929 OE1 GLU A 60 2.364 11.891 -2.785 1.00 0.00 O ATOM 930 OE2 GLU A 60 3.736 10.700 -1.497 1.00 0.00 O ATOM 0 HA GLU A 60 4.340 8.355 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.349 10.628 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.338 9.193 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.740 9.800 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.505 11.333 -4.368 1.00 0.00 H new ATOM 937 N VAL A 61 1.965 7.352 -6.249 1.00 0.00 N ATOM 938 CA VAL A 61 1.168 6.419 -7.043 1.00 0.00 C ATOM 939 C VAL A 61 -0.331 6.658 -6.831 1.00 0.00 C ATOM 940 O VAL A 61 -0.869 6.301 -5.783 1.00 0.00 O ATOM 941 CB VAL A 61 1.589 4.971 -6.732 1.00 0.00 C ATOM 942 CG1 VAL A 61 1.032 4.016 -7.789 1.00 0.00 C ATOM 943 CG2 VAL A 61 3.115 4.824 -6.737 1.00 0.00 C ATOM 0 H VAL A 61 1.901 7.203 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 61 1.359 6.594 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 61 1.195 4.729 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.338 2.996 -7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.056 4.076 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.417 4.295 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.382 3.791 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.503 5.096 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.546 5.481 -5.982 1.00 0.00 H new ATOM 953 N SER A 62 -1.014 7.250 -7.818 1.00 0.00 N ATOM 954 CA SER A 62 -2.465 7.410 -7.796 1.00 0.00 C ATOM 955 C SER A 62 -3.178 6.103 -8.185 1.00 0.00 C ATOM 956 O SER A 62 -2.543 5.160 -8.662 1.00 0.00 O ATOM 957 CB SER A 62 -2.888 8.601 -8.665 1.00 0.00 C ATOM 958 OG SER A 62 -2.739 8.322 -10.042 1.00 0.00 O ATOM 0 H SER A 62 -0.571 7.631 -8.654 1.00 0.00 H new ATOM 0 HA SER A 62 -2.777 7.633 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.927 8.854 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.289 9.473 -8.403 1.00 0.00 H new ATOM 0 HG SER A 62 -1.797 8.414 -10.294 1.00 0.00 H new ATOM 964 N PHE A 63 -4.499 6.019 -7.969 1.00 0.00 N ATOM 965 CA PHE A 63 -5.232 4.766 -8.162 1.00 0.00 C ATOM 966 C PHE A 63 -5.158 4.252 -9.604 1.00 0.00 C ATOM 967 O PHE A 63 -5.072 3.045 -9.831 1.00 0.00 O ATOM 968 CB PHE A 63 -6.689 4.872 -7.690 1.00 0.00 C ATOM 969 CG PHE A 63 -7.422 3.537 -7.692 1.00 0.00 C ATOM 970 CD1 PHE A 63 -7.050 2.544 -6.767 1.00 0.00 C ATOM 971 CD2 PHE A 63 -8.402 3.243 -8.660 1.00 0.00 C ATOM 972 CE1 PHE A 63 -7.656 1.278 -6.793 1.00 0.00 C ATOM 973 CE2 PHE A 63 -9.022 1.978 -8.675 1.00 0.00 C ATOM 974 CZ PHE A 63 -8.655 0.996 -7.737 1.00 0.00 C ATOM 0 H PHE A 63 -5.076 6.802 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.731 4.029 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.708 5.287 -6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.222 5.572 -8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.291 2.758 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.678 3.988 -9.391 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.353 0.520 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.783 1.761 -9.410 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.139 0.031 -7.743 1.00 0.00 H new ATOM 984 N GLU A 64 -5.207 5.152 -10.590 1.00 0.00 N ATOM 985 CA GLU A 64 -5.166 4.745 -11.982 1.00 0.00 C ATOM 986 C GLU A 64 -3.828 4.072 -12.321 1.00 0.00 C ATOM 987 O GLU A 64 -3.805 2.916 -12.727 1.00 0.00 O ATOM 988 CB GLU A 64 -5.594 5.903 -12.895 1.00 0.00 C ATOM 989 CG GLU A 64 -4.790 7.210 -12.794 1.00 0.00 C ATOM 990 CD GLU A 64 -3.510 7.214 -13.623 1.00 0.00 C ATOM 991 OE1 GLU A 64 -3.603 6.892 -14.826 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.457 7.529 -13.028 1.00 0.00 O ATOM 0 H GLU A 64 -5.275 6.159 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.904 3.965 -12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.546 5.555 -13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.639 6.132 -12.684 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.421 8.039 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.535 7.388 -11.749 1.00 0.00 H new ATOM 999 N GLU A 65 -2.704 4.752 -12.096 1.00 0.00 N ATOM 1000 CA GLU A 65 -1.379 4.177 -12.320 1.00 0.00 C ATOM 1001 C GLU A 65 -1.150 2.937 -11.442 1.00 0.00 C ATOM 1002 O GLU A 65 -0.572 1.951 -11.896 1.00 0.00 O ATOM 1003 CB GLU A 65 -0.299 5.253 -12.153 1.00 0.00 C ATOM 1004 CG GLU A 65 -0.367 5.957 -10.795 1.00 0.00 C ATOM 1005 CD GLU A 65 0.469 7.225 -10.766 1.00 0.00 C ATOM 1006 OE1 GLU A 65 1.678 7.097 -10.502 1.00 0.00 O ATOM 1007 OE2 GLU A 65 -0.142 8.302 -10.941 1.00 0.00 O ATOM 0 H GLU A 65 -2.687 5.713 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.313 3.822 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.684 4.796 -12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.404 5.993 -12.946 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.404 6.202 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.020 5.277 -10.017 1.00 0.00 H new ATOM 1014 N PHE A 66 -1.657 2.943 -10.203 1.00 0.00 N ATOM 1015 CA PHE A 66 -1.678 1.764 -9.339 1.00 0.00 C ATOM 1016 C PHE A 66 -2.310 0.546 -10.033 1.00 0.00 C ATOM 1017 O PHE A 66 -1.939 -0.584 -9.720 1.00 0.00 O ATOM 1018 CB PHE A 66 -2.399 2.121 -8.038 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.882 0.968 -7.188 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -2.046 0.358 -6.239 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -4.212 0.543 -7.322 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -2.568 -0.636 -5.391 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -4.702 -0.530 -6.564 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.894 -1.080 -5.553 1.00 0.00 C ATOM 0 H PHE A 66 -2.066 3.772 -9.773 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.653 1.471 -9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.727 2.731 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.259 2.744 -8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.009 0.650 -6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.866 1.048 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.950 -1.060 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.687 -0.929 -6.754 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.291 -1.844 -4.900 1.00 0.00 H new ATOM 1034 N GLN A 67 -3.214 0.729 -11.005 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.714 -0.404 -11.787 1.00 0.00 C ATOM 1036 C GLN A 67 -2.601 -1.225 -12.452 1.00 0.00 C ATOM 1037 O GLN A 67 -2.812 -2.404 -12.720 1.00 0.00 O ATOM 1038 CB GLN A 67 -4.788 -0.019 -12.818 1.00 0.00 C ATOM 1039 CG GLN A 67 -6.042 0.644 -12.231 1.00 0.00 C ATOM 1040 CD GLN A 67 -6.564 -0.077 -10.993 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -7.122 -1.166 -11.079 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -6.362 0.525 -9.829 1.00 0.00 N ATOM 0 H GLN A 67 -3.607 1.634 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.194 -1.041 -11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.344 0.659 -13.547 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.089 -0.916 -13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.815 1.679 -11.975 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.824 0.668 -12.990 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.894 1.431 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.675 0.082 -8.965 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.411 -0.663 -12.691 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.268 -1.452 -13.150 1.00 0.00 C ATOM 1053 C VAL A 68 0.059 -2.565 -12.138 1.00 0.00 C ATOM 1054 O VAL A 68 0.438 -3.671 -12.523 1.00 0.00 O ATOM 1055 CB VAL A 68 0.934 -0.532 -13.442 1.00 0.00 C ATOM 1056 CG1 VAL A 68 2.180 -1.329 -13.855 1.00 0.00 C ATOM 1057 CG2 VAL A 68 0.606 0.453 -14.573 1.00 0.00 C ATOM 0 H VAL A 68 -1.217 0.332 -12.574 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.521 -1.947 -14.087 1.00 0.00 H new ATOM 0 HB VAL A 68 1.140 0.006 -12.517 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.003 -0.642 -14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.460 -2.010 -13.051 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.963 -1.902 -14.756 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.469 1.092 -14.761 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.361 -0.102 -15.479 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.245 1.069 -14.283 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.157 -2.318 -10.841 1.00 0.00 N ATOM 1068 CA LEU A 69 0.058 -3.323 -9.814 1.00 0.00 C ATOM 1069 C LEU A 69 -1.082 -4.329 -9.915 1.00 0.00 C ATOM 1070 O LEU A 69 -0.836 -5.528 -9.961 1.00 0.00 O ATOM 1071 CB LEU A 69 0.072 -2.686 -8.412 1.00 0.00 C ATOM 1072 CG LEU A 69 0.498 -3.672 -7.309 1.00 0.00 C ATOM 1073 CD1 LEU A 69 1.999 -3.984 -7.364 1.00 0.00 C ATOM 1074 CD2 LEU A 69 0.163 -3.078 -5.937 1.00 0.00 C ATOM 0 H LEU A 69 -0.483 -1.420 -10.484 1.00 0.00 H new ATOM 0 HA LEU A 69 1.023 -3.807 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.752 -1.834 -8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.922 -2.301 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.047 -4.602 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.255 -4.683 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.243 -4.428 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.567 -3.063 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.464 -3.775 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.696 -2.136 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.910 -2.899 -5.870 1.00 0.00 H new ATOM 1086 N VAL A 70 -2.325 -3.849 -9.983 1.00 0.00 N ATOM 1087 CA VAL A 70 -3.496 -4.714 -10.093 1.00 0.00 C ATOM 1088 C VAL A 70 -3.362 -5.658 -11.299 1.00 0.00 C ATOM 1089 O VAL A 70 -3.711 -6.835 -11.214 1.00 0.00 O ATOM 1090 CB VAL A 70 -4.784 -3.872 -10.154 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -6.028 -4.770 -10.134 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -4.856 -2.882 -8.979 1.00 0.00 C ATOM 0 H VAL A 70 -2.546 -2.853 -9.963 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.559 -5.339 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.760 -3.313 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.924 -4.151 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.007 -5.440 -10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.038 -5.358 -9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.776 -2.301 -9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.844 -3.432 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.999 -2.210 -9.017 1.00 0.00 H new