USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 589 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 5 CYS SG : rot -124:sc= -1.75 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= 0.447 USER MOD Set 1.3: A 12 ASN : amide:sc= -9.84! C(o=-16!,f=-19!) USER MOD Set 1.4: A 54 CYS SG : rot -67:sc= -2.68 USER MOD Set 1.5: A 57 HIS : no HD1:sc= -1.83 K(o=-16,f=-21!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 HIS :FLIP no HD1:sc= -0.497 F(o=-1.1,f=0.1) USER MOD Set 2.3: A 55 SER OG : rot 144:sc= 0.598 USER MOD Single : A 3 GLN : amide:sc= -3.77! C(o=-3.8!,f=-6.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 140:sc= -4.32! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.395 (180deg=-1.54!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -111:sc=-0.00428 (180deg=-0.236) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.104 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 33 CYS SG : rot 130:sc= 0.0772 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.265 (180deg=-1.02) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -91:sc= 1.01 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 62 CYS SG : rot -42:sc= -2.5 USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0815 (180deg=-0.453) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.342 11.003 10.116 1.00 0.00 N ATOM 21 CA VAL A 2 -9.382 9.976 11.152 1.00 0.00 C ATOM 22 C VAL A 2 -8.174 9.046 11.058 1.00 0.00 C ATOM 23 O VAL A 2 -8.180 7.948 11.616 1.00 0.00 O ATOM 24 CB VAL A 2 -10.680 9.142 11.078 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.835 8.281 12.324 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.888 10.050 10.897 1.00 0.00 C ATOM 0 HA VAL A 2 -9.356 10.496 12.110 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.616 8.481 10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.755 7.701 12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.985 7.604 12.407 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.876 8.921 13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.793 9.445 10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.957 10.737 11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.780 10.619 9.974 1.00 0.00 H new ATOM 36 N GLN A 3 -7.134 9.492 10.351 1.00 0.00 N ATOM 37 CA GLN A 3 -5.918 8.717 10.181 1.00 0.00 C ATOM 38 C GLN A 3 -5.036 9.384 9.146 1.00 0.00 C ATOM 39 O GLN A 3 -5.517 10.067 8.242 1.00 0.00 O ATOM 40 CB GLN A 3 -6.239 7.265 9.778 1.00 0.00 C ATOM 41 CG GLN A 3 -5.603 6.781 8.470 1.00 0.00 C ATOM 42 CD GLN A 3 -5.515 5.269 8.399 1.00 0.00 C ATOM 43 OE1 GLN A 3 -6.275 4.622 7.679 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.582 4.695 9.151 1.00 0.00 N ATOM 0 H GLN A 3 -7.117 10.399 9.884 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.386 8.681 11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.917 6.605 10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.321 7.162 9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.187 7.149 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.604 7.206 8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.972 5.269 9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.475 3.681 9.145 1.00 0.00 H new ATOM 53 N SER A 4 -3.748 9.183 9.293 1.00 0.00 N ATOM 54 CA SER A 4 -2.776 9.765 8.378 1.00 0.00 C ATOM 55 C SER A 4 -2.085 8.704 7.535 1.00 0.00 C ATOM 56 O SER A 4 -2.211 7.503 7.779 1.00 0.00 O ATOM 57 CB SER A 4 -1.726 10.581 9.129 1.00 0.00 C ATOM 58 OG SER A 4 -1.939 10.522 10.530 1.00 0.00 O ATOM 0 H SER A 4 -3.340 8.619 10.039 1.00 0.00 H new ATOM 0 HA SER A 4 -3.333 10.426 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.731 10.204 8.893 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.761 11.618 8.796 1.00 0.00 H new ATOM 0 HG SER A 4 -1.253 11.051 10.988 1.00 0.00 H new ATOM 64 N CYS A 5 -1.355 9.180 6.541 1.00 0.00 N ATOM 65 CA CYS A 5 -0.618 8.329 5.622 1.00 0.00 C ATOM 66 C CYS A 5 0.827 8.824 5.526 1.00 0.00 C ATOM 67 O CYS A 5 1.191 9.798 6.184 1.00 0.00 O ATOM 68 CB CYS A 5 -1.360 8.319 4.275 1.00 0.00 C ATOM 69 SG CYS A 5 -0.498 9.098 2.892 1.00 0.00 S ATOM 0 H CYS A 5 -1.256 10.177 6.347 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.566 7.298 5.972 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.574 7.284 4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.320 8.819 4.407 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.248 10.029 2.382 1.00 0.00 H new ATOM 74 N SER A 6 1.655 8.153 4.735 1.00 0.00 N ATOM 75 CA SER A 6 3.055 8.551 4.611 1.00 0.00 C ATOM 76 C SER A 6 3.172 9.872 3.876 1.00 0.00 C ATOM 77 O SER A 6 3.906 10.769 4.291 1.00 0.00 O ATOM 78 CB SER A 6 3.860 7.479 3.880 1.00 0.00 C ATOM 79 OG SER A 6 5.243 7.776 3.915 1.00 0.00 O ATOM 0 H SER A 6 1.389 7.342 4.176 1.00 0.00 H new ATOM 0 HA SER A 6 3.460 8.669 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.681 6.507 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.525 7.409 2.845 1.00 0.00 H new ATOM 0 HG SER A 6 5.751 6.951 4.062 1.00 0.00 H new ATOM 85 N ALA A 7 2.438 9.977 2.781 1.00 0.00 N ATOM 86 CA ALA A 7 2.439 11.188 1.962 1.00 0.00 C ATOM 87 C ALA A 7 2.371 12.444 2.829 1.00 0.00 C ATOM 88 O ALA A 7 1.427 12.631 3.597 1.00 0.00 O ATOM 89 CB ALA A 7 1.278 11.163 0.979 1.00 0.00 C ATOM 0 H ALA A 7 1.829 9.236 2.433 1.00 0.00 H new ATOM 0 HA ALA A 7 3.375 11.214 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.292 12.071 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.371 10.294 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.338 11.106 1.528 1.00 0.00 H new ATOM 95 N TYR A 8 3.383 13.297 2.705 1.00 0.00 N ATOM 96 CA TYR A 8 3.448 14.532 3.479 1.00 0.00 C ATOM 97 C TYR A 8 2.166 15.349 3.327 1.00 0.00 C ATOM 98 O TYR A 8 1.727 15.632 2.212 1.00 0.00 O ATOM 99 CB TYR A 8 4.652 15.366 3.037 1.00 0.00 C ATOM 100 CG TYR A 8 4.906 16.577 3.907 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.290 16.433 5.235 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.763 17.861 3.400 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.524 17.537 6.032 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.995 18.970 4.192 1.00 0.00 C ATOM 105 CZ TYR A 8 5.375 18.802 5.506 1.00 0.00 C ATOM 106 OH TYR A 8 5.607 19.904 6.297 1.00 0.00 O ATOM 0 H TYR A 8 4.172 13.155 2.074 1.00 0.00 H new ATOM 0 HA TYR A 8 3.559 14.265 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.541 14.735 3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.498 15.694 2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.407 15.443 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.466 17.996 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.822 17.409 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.879 19.963 3.783 1.00 0.00 H new ATOM 0 HH TYR A 8 5.459 20.719 5.774 1.00 0.00 H new ATOM 116 N GLY A 9 1.574 15.726 4.459 1.00 0.00 N ATOM 117 CA GLY A 9 0.349 16.512 4.443 1.00 0.00 C ATOM 118 C GLY A 9 -0.666 15.996 3.445 1.00 0.00 C ATOM 119 O GLY A 9 -1.000 16.675 2.474 1.00 0.00 O ATOM 0 H GLY A 9 1.922 15.500 5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.093 16.508 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.591 17.548 4.206 1.00 0.00 H new ATOM 123 N CYS A 10 -1.147 14.792 3.685 1.00 0.00 N ATOM 124 CA CYS A 10 -2.118 14.164 2.814 1.00 0.00 C ATOM 125 C CYS A 10 -3.548 14.492 3.253 1.00 0.00 C ATOM 126 O CYS A 10 -3.773 14.941 4.378 1.00 0.00 O ATOM 127 CB CYS A 10 -1.887 12.657 2.802 1.00 0.00 C ATOM 128 SG CYS A 10 -2.769 11.798 1.483 1.00 0.00 S ATOM 0 H CYS A 10 -0.876 14.224 4.487 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.990 14.554 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.819 12.463 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.195 12.244 3.762 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.545 12.396 0.350 1.00 0.00 H new ATOM 133 N LYS A 11 -4.510 14.280 2.353 1.00 0.00 N ATOM 134 CA LYS A 11 -5.912 14.569 2.638 1.00 0.00 C ATOM 135 C LYS A 11 -6.674 13.328 3.104 1.00 0.00 C ATOM 136 O LYS A 11 -7.804 13.429 3.584 1.00 0.00 O ATOM 137 CB LYS A 11 -6.587 15.150 1.395 1.00 0.00 C ATOM 138 CG LYS A 11 -7.511 16.315 1.694 1.00 0.00 C ATOM 139 CD LYS A 11 -6.749 17.626 1.684 1.00 0.00 C ATOM 140 CE LYS A 11 -7.566 18.753 2.296 1.00 0.00 C ATOM 141 NZ LYS A 11 -8.001 19.741 1.271 1.00 0.00 N ATOM 0 H LYS A 11 -4.340 13.908 1.419 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.936 15.296 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.819 15.477 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.156 14.363 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.311 16.349 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.982 16.171 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.817 17.510 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.482 17.884 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.442 18.338 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.974 19.258 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.555 20.494 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.165 20.156 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.587 19.264 0.556 1.00 0.00 H new ATOM 155 N ASN A 12 -6.053 12.164 2.954 1.00 0.00 N ATOM 156 CA ASN A 12 -6.651 10.895 3.348 1.00 0.00 C ATOM 157 C ASN A 12 -7.429 10.996 4.655 1.00 0.00 C ATOM 158 O ASN A 12 -7.220 11.912 5.451 1.00 0.00 O ATOM 159 CB ASN A 12 -5.553 9.858 3.498 1.00 0.00 C ATOM 160 CG ASN A 12 -4.662 10.153 4.687 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.125 10.241 5.823 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.379 10.303 4.426 1.00 0.00 N ATOM 0 H ASN A 12 -5.119 12.074 2.555 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.358 10.607 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.999 8.870 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.951 9.832 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.724 10.501 5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.041 10.221 3.467 1.00 0.00 H new ATOM 169 N ARG A 13 -8.314 10.032 4.871 1.00 0.00 N ATOM 170 CA ARG A 13 -9.118 9.993 6.092 1.00 0.00 C ATOM 171 C ARG A 13 -9.790 8.635 6.269 1.00 0.00 C ATOM 172 O ARG A 13 -10.636 8.243 5.466 1.00 0.00 O ATOM 173 CB ARG A 13 -10.175 11.100 6.086 1.00 0.00 C ATOM 174 CG ARG A 13 -10.585 11.558 4.692 1.00 0.00 C ATOM 175 CD ARG A 13 -11.582 12.705 4.747 1.00 0.00 C ATOM 176 NE ARG A 13 -12.910 12.298 4.293 1.00 0.00 N ATOM 177 CZ ARG A 13 -13.839 11.767 5.086 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.590 11.564 6.375 1.00 0.00 N ATOM 179 NH2 ARG A 13 -15.022 11.432 4.588 1.00 0.00 N ATOM 0 H ARG A 13 -8.495 9.267 4.221 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.443 10.156 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.060 10.746 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.792 11.957 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.701 11.871 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.023 10.721 4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.647 13.080 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.223 13.527 4.128 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.140 12.429 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.681 11.815 6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.307 11.157 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.220 11.581 3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.734 11.025 5.195 1.00 0.00 H new ATOM 193 N TYR A 14 -9.408 7.920 7.325 1.00 0.00 N ATOM 194 CA TYR A 14 -9.977 6.611 7.603 1.00 0.00 C ATOM 195 C TYR A 14 -11.369 6.739 8.216 1.00 0.00 C ATOM 196 O TYR A 14 -11.533 6.637 9.433 1.00 0.00 O ATOM 197 CB TYR A 14 -9.061 5.846 8.553 1.00 0.00 C ATOM 198 CG TYR A 14 -9.466 4.402 8.754 1.00 0.00 C ATOM 199 CD1 TYR A 14 -9.672 3.562 7.668 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.642 3.883 10.029 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.043 2.243 7.847 1.00 0.00 C ATOM 202 CE2 TYR A 14 -10.013 2.564 10.217 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.212 1.749 9.124 1.00 0.00 C ATOM 204 OH TYR A 14 -10.580 0.436 9.305 1.00 0.00 O ATOM 0 H TYR A 14 -8.707 8.228 7.999 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.067 6.067 6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.042 5.878 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.052 6.350 9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.540 3.946 6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.487 4.519 10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.200 1.602 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.146 2.175 11.216 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.655 0.247 10.264 1.00 0.00 H new ATOM 214 N ASP A 15 -12.371 6.958 7.370 1.00 0.00 N ATOM 215 CA ASP A 15 -13.746 7.096 7.836 1.00 0.00 C ATOM 216 C ASP A 15 -14.622 5.976 7.289 1.00 0.00 C ATOM 217 O ASP A 15 -14.305 5.371 6.264 1.00 0.00 O ATOM 218 CB ASP A 15 -14.316 8.451 7.421 1.00 0.00 C ATOM 219 CG ASP A 15 -15.610 8.778 8.140 1.00 0.00 C ATOM 220 OD1 ASP A 15 -15.727 8.442 9.337 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.508 9.371 7.504 1.00 0.00 O ATOM 0 H ASP A 15 -12.257 7.044 6.360 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.740 7.030 8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.582 9.230 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.490 8.455 6.345 1.00 0.00 H new ATOM 226 N LYS A 16 -15.726 5.705 7.975 1.00 0.00 N ATOM 227 CA LYS A 16 -16.649 4.659 7.552 1.00 0.00 C ATOM 228 C LYS A 16 -17.244 4.984 6.189 1.00 0.00 C ATOM 229 O LYS A 16 -17.626 4.091 5.434 1.00 0.00 O ATOM 230 CB LYS A 16 -17.765 4.486 8.583 1.00 0.00 C ATOM 231 CG LYS A 16 -18.717 3.343 8.269 1.00 0.00 C ATOM 232 CD LYS A 16 -20.100 3.597 8.843 1.00 0.00 C ATOM 233 CE LYS A 16 -20.811 2.299 9.192 1.00 0.00 C ATOM 234 NZ LYS A 16 -19.941 1.384 9.982 1.00 0.00 N ATOM 0 H LYS A 16 -16.004 6.195 8.826 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.092 3.725 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.319 4.316 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.334 5.413 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.788 3.214 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.318 2.414 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.015 4.217 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.696 4.156 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.714 2.521 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.126 1.800 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.530 0.801 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.409 0.767 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.276 1.944 10.552 1.00 0.00 H new ATOM 248 N ASP A 17 -17.315 6.271 5.884 1.00 0.00 N ATOM 249 CA ASP A 17 -17.856 6.734 4.617 1.00 0.00 C ATOM 250 C ASP A 17 -16.781 6.711 3.538 1.00 0.00 C ATOM 251 O ASP A 17 -16.947 6.089 2.490 1.00 0.00 O ATOM 252 CB ASP A 17 -18.397 8.153 4.779 1.00 0.00 C ATOM 253 CG ASP A 17 -19.901 8.220 4.601 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.570 7.184 4.801 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.412 9.308 4.260 1.00 0.00 O ATOM 0 H ASP A 17 -17.001 7.018 6.503 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.665 6.068 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.133 8.529 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.918 8.807 4.051 1.00 0.00 H new ATOM 260 N LYS A 18 -15.679 7.400 3.810 1.00 0.00 N ATOM 261 CA LYS A 18 -14.563 7.471 2.874 1.00 0.00 C ATOM 262 C LYS A 18 -14.003 6.079 2.588 1.00 0.00 C ATOM 263 O LYS A 18 -13.381 5.467 3.456 1.00 0.00 O ATOM 264 CB LYS A 18 -13.461 8.366 3.443 1.00 0.00 C ATOM 265 CG LYS A 18 -12.267 8.535 2.513 1.00 0.00 C ATOM 266 CD LYS A 18 -12.205 9.944 1.912 1.00 0.00 C ATOM 267 CE LYS A 18 -12.965 10.084 0.589 1.00 0.00 C ATOM 268 NZ LYS A 18 -13.187 11.514 0.236 1.00 0.00 N ATOM 0 H LYS A 18 -15.534 7.920 4.676 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.927 7.895 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.880 9.348 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.117 7.947 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.347 8.334 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.325 7.800 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.612 10.654 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.162 10.215 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.405 9.594 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.925 9.573 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.704 11.573 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.743 11.974 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.270 11.995 0.141 1.00 0.00 H new ATOM 282 N PRO A 19 -14.221 5.549 1.369 1.00 0.00 N ATOM 283 CA PRO A 19 -13.740 4.217 0.982 1.00 0.00 C ATOM 284 C PRO A 19 -12.238 4.151 0.747 1.00 0.00 C ATOM 285 O PRO A 19 -11.757 3.392 -0.095 1.00 0.00 O ATOM 286 CB PRO A 19 -14.463 3.955 -0.325 1.00 0.00 C ATOM 287 CG PRO A 19 -14.681 5.321 -0.895 1.00 0.00 C ATOM 288 CD PRO A 19 -14.969 6.190 0.274 1.00 0.00 C ATOM 0 HA PRO A 19 -13.932 3.491 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.867 3.333 -0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.407 3.435 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.800 5.667 -1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.510 5.325 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.636 7.214 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.037 6.234 0.489 1.00 0.00 H new ATOM 296 N VAL A 20 -11.514 4.949 1.493 1.00 0.00 N ATOM 297 CA VAL A 20 -10.064 5.007 1.389 1.00 0.00 C ATOM 298 C VAL A 20 -9.404 3.945 2.262 1.00 0.00 C ATOM 299 O VAL A 20 -9.769 3.768 3.424 1.00 0.00 O ATOM 300 CB VAL A 20 -9.540 6.400 1.791 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.615 6.601 3.298 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.119 6.604 1.286 1.00 0.00 C ATOM 0 H VAL A 20 -11.907 5.580 2.192 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.806 4.814 0.348 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.180 7.149 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.239 7.592 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.651 6.511 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.009 5.844 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.767 7.593 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.467 5.844 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.104 6.521 0.199 1.00 0.00 H new ATOM 312 N SER A 21 -8.427 3.245 1.698 1.00 0.00 N ATOM 313 CA SER A 21 -7.712 2.207 2.429 1.00 0.00 C ATOM 314 C SER A 21 -6.257 2.598 2.641 1.00 0.00 C ATOM 315 O SER A 21 -5.736 3.485 1.965 1.00 0.00 O ATOM 316 CB SER A 21 -7.786 0.876 1.684 1.00 0.00 C ATOM 317 OG SER A 21 -7.897 1.077 0.286 1.00 0.00 O ATOM 0 H SER A 21 -8.112 3.378 0.737 1.00 0.00 H new ATOM 0 HA SER A 21 -8.190 2.095 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.896 0.286 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.642 0.304 2.041 1.00 0.00 H new ATOM 0 HG SER A 21 -7.941 0.209 -0.167 1.00 0.00 H new ATOM 323 N PHE A 22 -5.607 1.928 3.583 1.00 0.00 N ATOM 324 CA PHE A 22 -4.211 2.200 3.888 1.00 0.00 C ATOM 325 C PHE A 22 -3.390 0.918 3.830 1.00 0.00 C ATOM 326 O PHE A 22 -3.886 -0.163 4.148 1.00 0.00 O ATOM 327 CB PHE A 22 -4.100 2.848 5.266 1.00 0.00 C ATOM 328 CG PHE A 22 -4.548 4.285 5.277 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.865 4.613 4.993 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.655 5.307 5.559 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.284 5.931 4.992 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.067 6.628 5.557 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.384 6.940 5.274 1.00 0.00 C ATOM 0 H PHE A 22 -6.026 1.191 4.150 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.814 2.888 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.700 2.281 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.066 2.793 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.573 3.829 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.626 5.069 5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.314 6.171 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.360 7.415 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.708 7.970 5.273 1.00 0.00 H new ATOM 343 N HIS A 23 -2.141 1.042 3.403 1.00 0.00 N ATOM 344 CA HIS A 23 -1.259 -0.115 3.284 1.00 0.00 C ATOM 345 C HIS A 23 0.128 0.162 3.862 1.00 0.00 C ATOM 346 O HIS A 23 0.799 1.111 3.464 1.00 0.00 O ATOM 347 CB HIS A 23 -1.131 -0.521 1.817 1.00 0.00 C ATOM 348 CG HIS A 23 -2.427 -0.487 1.069 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.229 0.552 0.737 1.00 0.00 N flip ATOM 350 CD2 HIS A 23 -3.041 -1.617 0.571 1.00 0.00 C flip ATOM 351 CE1 HIS A 23 -4.301 0.036 0.051 1.00 0.00 C flip ATOM 352 NE2 HIS A 23 -4.164 -1.274 -0.036 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.715 1.929 3.133 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.704 -0.928 3.858 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.420 0.144 1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.716 -1.528 1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.663 -2.625 0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.123 0.609 -0.352 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.814 -1.913 -0.494 1.00 0.00 H new ATOM 361 N LYS A 24 0.557 -0.688 4.786 1.00 0.00 N ATOM 362 CA LYS A 24 1.873 -0.557 5.412 1.00 0.00 C ATOM 363 C LYS A 24 2.975 -0.835 4.396 1.00 0.00 C ATOM 364 O LYS A 24 2.729 -1.474 3.373 1.00 0.00 O ATOM 365 CB LYS A 24 1.991 -1.536 6.584 1.00 0.00 C ATOM 366 CG LYS A 24 2.996 -1.115 7.643 1.00 0.00 C ATOM 367 CD LYS A 24 2.333 -0.324 8.759 1.00 0.00 C ATOM 368 CE LYS A 24 1.795 -1.241 9.844 1.00 0.00 C ATOM 369 NZ LYS A 24 0.322 -1.432 9.731 1.00 0.00 N ATOM 0 H LYS A 24 0.011 -1.481 5.122 1.00 0.00 H new ATOM 0 HA LYS A 24 1.984 0.463 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.012 -1.647 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.274 -2.516 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.479 -1.999 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.779 -0.511 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.053 0.371 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.519 0.274 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.292 -2.209 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.033 -0.824 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.151 -0.964 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.014 -1.018 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.102 -2.448 9.746 1.00 0.00 H new ATOM 383 N PHE A 25 4.193 -0.366 4.672 1.00 0.00 N ATOM 384 CA PHE A 25 5.299 -0.600 3.751 1.00 0.00 C ATOM 385 C PHE A 25 5.526 -2.097 3.585 1.00 0.00 C ATOM 386 O PHE A 25 5.502 -2.852 4.557 1.00 0.00 O ATOM 387 CB PHE A 25 6.572 0.126 4.194 1.00 0.00 C ATOM 388 CG PHE A 25 6.939 1.245 3.252 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.362 2.500 3.389 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.834 1.035 2.214 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.676 3.524 2.510 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.147 2.052 1.329 1.00 0.00 C ATOM 393 CZ PHE A 25 7.570 3.299 1.477 1.00 0.00 C ATOM 0 H PHE A 25 4.433 0.167 5.508 1.00 0.00 H new ATOM 0 HA PHE A 25 5.033 -0.183 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.430 0.528 5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.395 -0.586 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.660 2.680 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.293 0.065 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.224 4.497 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.842 1.871 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.815 4.095 0.790 1.00 0.00 H new ATOM 403 N PRO A 26 5.690 -2.552 2.334 1.00 0.00 N ATOM 404 CA PRO A 26 5.853 -3.969 2.012 1.00 0.00 C ATOM 405 C PRO A 26 7.302 -4.437 1.968 1.00 0.00 C ATOM 406 O PRO A 26 8.215 -3.661 1.689 1.00 0.00 O ATOM 407 CB PRO A 26 5.242 -4.007 0.619 1.00 0.00 C ATOM 408 CG PRO A 26 5.743 -2.751 0.004 1.00 0.00 C ATOM 409 CD PRO A 26 5.674 -1.727 1.104 1.00 0.00 C ATOM 0 HA PRO A 26 5.402 -4.624 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.563 -4.886 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.153 -4.033 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.763 -2.870 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.131 -2.457 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.520 -1.040 1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.769 -1.123 1.036 1.00 0.00 H new ATOM 417 N LEU A 27 7.493 -5.728 2.229 1.00 0.00 N ATOM 418 CA LEU A 27 8.811 -6.334 2.204 1.00 0.00 C ATOM 419 C LEU A 27 8.932 -7.297 1.023 1.00 0.00 C ATOM 420 O LEU A 27 10.019 -7.493 0.479 1.00 0.00 O ATOM 421 CB LEU A 27 9.096 -7.068 3.518 1.00 0.00 C ATOM 422 CG LEU A 27 8.282 -8.346 3.746 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.205 -9.536 3.968 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.338 -8.176 4.927 1.00 0.00 C ATOM 0 H LEU A 27 6.740 -6.376 2.462 1.00 0.00 H new ATOM 0 HA LEU A 27 9.549 -5.541 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.156 -7.322 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.906 -6.384 4.345 1.00 0.00 H new ATOM 0 HG LEU A 27 7.685 -8.535 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.609 -10.434 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.839 -9.673 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.829 -9.354 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.769 -9.094 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.915 -7.960 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.653 -7.352 4.729 1.00 0.00 H new ATOM 436 N THR A 28 7.804 -7.885 0.626 1.00 0.00 N ATOM 437 CA THR A 28 7.776 -8.815 -0.498 1.00 0.00 C ATOM 438 C THR A 28 8.133 -8.086 -1.789 1.00 0.00 C ATOM 439 O THR A 28 8.688 -8.672 -2.715 1.00 0.00 O ATOM 440 CB THR A 28 6.393 -9.464 -0.620 1.00 0.00 C ATOM 441 OG1 THR A 28 5.488 -8.900 0.313 1.00 0.00 O ATOM 442 CG2 THR A 28 6.411 -10.961 -0.391 1.00 0.00 C ATOM 0 H THR A 28 6.897 -7.732 1.068 1.00 0.00 H new ATOM 0 HA THR A 28 8.512 -9.599 -0.321 1.00 0.00 H new ATOM 0 HB THR A 28 6.075 -9.272 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.267 -7.985 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.400 -11.357 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.061 -11.434 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.784 -11.171 0.611 1.00 0.00 H new ATOM 450 N ARG A 29 7.804 -6.797 -1.828 1.00 0.00 N ATOM 451 CA ARG A 29 8.079 -5.951 -2.971 1.00 0.00 C ATOM 452 C ARG A 29 9.231 -5.007 -2.632 1.00 0.00 C ATOM 453 O ARG A 29 9.010 -3.972 -2.014 1.00 0.00 O ATOM 454 CB ARG A 29 6.807 -5.172 -3.306 1.00 0.00 C ATOM 455 CG ARG A 29 6.957 -4.235 -4.484 1.00 0.00 C ATOM 456 CD ARG A 29 6.869 -2.788 -4.037 1.00 0.00 C ATOM 457 NE ARG A 29 5.536 -2.222 -4.277 1.00 0.00 N ATOM 458 CZ ARG A 29 5.287 -1.046 -4.878 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.271 -0.220 -5.255 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.033 -0.689 -5.089 1.00 0.00 N ATOM 0 H ARG A 29 7.337 -6.314 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 29 8.372 -6.545 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.004 -5.879 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.504 -4.596 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.914 -4.411 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.179 -4.441 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.106 -2.721 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.615 -2.198 -4.568 1.00 0.00 H new ATOM 0 HE ARG A 29 4.733 -2.766 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.244 -0.476 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.048 0.666 -5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.272 -1.302 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.825 0.200 -5.544 1.00 0.00 H new ATOM 474 N PRO A 30 10.486 -5.382 -2.989 1.00 0.00 N ATOM 475 CA PRO A 30 11.685 -4.594 -2.685 1.00 0.00 C ATOM 476 C PRO A 30 12.132 -3.634 -3.795 1.00 0.00 C ATOM 477 O PRO A 30 12.019 -2.420 -3.646 1.00 0.00 O ATOM 478 CB PRO A 30 12.718 -5.675 -2.462 1.00 0.00 C ATOM 479 CG PRO A 30 12.313 -6.810 -3.356 1.00 0.00 C ATOM 480 CD PRO A 30 10.842 -6.634 -3.677 1.00 0.00 C ATOM 0 HA PRO A 30 11.516 -3.921 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.718 -5.319 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.740 -5.987 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.908 -6.810 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.486 -7.767 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.671 -6.564 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.249 -7.474 -3.314 1.00 0.00 H new ATOM 488 N SER A 31 12.651 -4.159 -4.906 1.00 0.00 N ATOM 489 CA SER A 31 13.104 -3.300 -6.003 1.00 0.00 C ATOM 490 C SER A 31 12.016 -2.306 -6.350 1.00 0.00 C ATOM 491 O SER A 31 12.221 -1.090 -6.337 1.00 0.00 O ATOM 492 CB SER A 31 13.466 -4.140 -7.229 1.00 0.00 C ATOM 493 OG SER A 31 12.729 -5.349 -7.254 1.00 0.00 O ATOM 0 H SER A 31 12.767 -5.159 -5.070 1.00 0.00 H new ATOM 0 HA SER A 31 13.996 -2.760 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.266 -3.570 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.533 -4.361 -7.220 1.00 0.00 H new ATOM 0 HG SER A 31 12.977 -5.867 -8.048 1.00 0.00 H new ATOM 499 N LEU A 32 10.842 -2.845 -6.599 1.00 0.00 N ATOM 500 CA LEU A 32 9.674 -2.046 -6.893 1.00 0.00 C ATOM 501 C LEU A 32 9.421 -1.105 -5.718 1.00 0.00 C ATOM 502 O LEU A 32 8.985 0.030 -5.885 1.00 0.00 O ATOM 503 CB LEU A 32 8.485 -2.973 -7.090 1.00 0.00 C ATOM 504 CG LEU A 32 7.132 -2.294 -7.321 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.291 -0.967 -8.044 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.217 -3.208 -8.108 1.00 0.00 C ATOM 0 H LEU A 32 10.671 -3.851 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 32 9.824 -1.459 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.693 -3.622 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.401 -3.615 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 32 6.689 -2.093 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.311 -0.513 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.914 -0.300 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.762 -1.134 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.258 -2.715 -8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.671 -3.435 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.062 -4.133 -7.553 1.00 0.00 H new ATOM 518 N CYS A 33 9.712 -1.609 -4.516 1.00 0.00 N ATOM 519 CA CYS A 33 9.536 -0.846 -3.283 1.00 0.00 C ATOM 520 C CYS A 33 10.210 0.512 -3.372 1.00 0.00 C ATOM 521 O CYS A 33 9.740 1.488 -2.793 1.00 0.00 O ATOM 522 CB CYS A 33 10.122 -1.609 -2.105 1.00 0.00 C ATOM 523 SG CYS A 33 9.339 -1.242 -0.518 1.00 0.00 S ATOM 0 H CYS A 33 10.074 -2.552 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 33 8.466 -0.700 -3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.036 -2.678 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.186 -1.382 -2.033 1.00 0.00 H new ATOM 0 HG CYS A 33 9.027 -2.354 0.079 1.00 0.00 H new ATOM 529 N LYS A 34 11.308 0.575 -4.114 1.00 0.00 N ATOM 530 CA LYS A 34 12.025 1.821 -4.287 1.00 0.00 C ATOM 531 C LYS A 34 11.029 2.873 -4.747 1.00 0.00 C ATOM 532 O LYS A 34 11.080 4.033 -4.338 1.00 0.00 O ATOM 533 CB LYS A 34 13.162 1.635 -5.312 1.00 0.00 C ATOM 534 CG LYS A 34 13.753 2.936 -5.841 1.00 0.00 C ATOM 535 CD LYS A 34 14.140 2.816 -7.309 1.00 0.00 C ATOM 536 CE LYS A 34 12.934 2.518 -8.192 1.00 0.00 C ATOM 537 NZ LYS A 34 12.496 3.719 -8.952 1.00 0.00 N ATOM 0 H LYS A 34 11.716 -0.222 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 34 12.482 2.140 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.958 1.050 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.785 1.053 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.029 3.742 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.631 3.204 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.610 3.743 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.880 2.024 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.183 1.718 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.111 2.159 -7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.674 3.476 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.235 4.475 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.273 4.047 -9.561 1.00 0.00 H new ATOM 551 N GLU A 35 10.093 2.426 -5.573 1.00 0.00 N ATOM 552 CA GLU A 35 9.047 3.270 -6.084 1.00 0.00 C ATOM 553 C GLU A 35 8.265 3.880 -4.942 1.00 0.00 C ATOM 554 O GLU A 35 7.913 5.062 -4.957 1.00 0.00 O ATOM 555 CB GLU A 35 8.105 2.450 -6.967 1.00 0.00 C ATOM 556 CG GLU A 35 8.816 1.813 -8.128 1.00 0.00 C ATOM 557 CD GLU A 35 7.903 1.570 -9.313 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.902 2.303 -9.449 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.191 0.650 -10.108 1.00 0.00 O ATOM 0 H GLU A 35 10.047 1.462 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 35 9.496 4.068 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.631 1.675 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.309 3.094 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.643 2.452 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.249 0.865 -7.808 1.00 0.00 H new ATOM 566 N TRP A 36 8.021 3.053 -3.941 1.00 0.00 N ATOM 567 CA TRP A 36 7.290 3.482 -2.759 1.00 0.00 C ATOM 568 C TRP A 36 8.005 4.638 -2.094 1.00 0.00 C ATOM 569 O TRP A 36 7.367 5.530 -1.533 1.00 0.00 O ATOM 570 CB TRP A 36 7.071 2.333 -1.801 1.00 0.00 C ATOM 571 CG TRP A 36 5.739 1.677 -1.958 1.00 0.00 C ATOM 572 CD1 TRP A 36 5.122 1.304 -3.112 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.854 1.335 -0.902 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.906 0.724 -2.829 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.724 0.732 -1.464 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.916 1.474 0.473 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.668 0.271 -0.670 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.871 1.022 1.231 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.774 0.430 0.668 1.00 0.00 C ATOM 0 H TRP A 36 8.319 2.078 -3.922 1.00 0.00 H new ATOM 0 HA TRP A 36 6.304 3.828 -3.068 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.854 1.590 -1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.170 2.698 -0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.527 1.443 -4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.250 0.351 -3.515 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.775 1.932 0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.799 -0.195 -1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.913 1.136 2.304 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.975 0.082 1.306 1.00 0.00 H new ATOM 590 N GLU A 37 9.328 4.659 -2.201 1.00 0.00 N ATOM 591 CA GLU A 37 10.096 5.756 -1.637 1.00 0.00 C ATOM 592 C GLU A 37 9.588 7.069 -2.204 1.00 0.00 C ATOM 593 O GLU A 37 9.470 8.070 -1.497 1.00 0.00 O ATOM 594 CB GLU A 37 11.571 5.586 -1.968 1.00 0.00 C ATOM 595 CG GLU A 37 12.151 4.271 -1.483 1.00 0.00 C ATOM 596 CD GLU A 37 13.492 4.441 -0.797 1.00 0.00 C ATOM 597 OE1 GLU A 37 14.492 4.693 -1.503 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.543 4.325 0.445 1.00 0.00 O ATOM 0 H GLU A 37 9.882 3.940 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 37 9.978 5.758 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.704 5.657 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.132 6.408 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.451 3.803 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.264 3.594 -2.330 1.00 0.00 H new ATOM 605 N ALA A 38 9.261 7.036 -3.486 1.00 0.00 N ATOM 606 CA ALA A 38 8.733 8.207 -4.167 1.00 0.00 C ATOM 607 C ALA A 38 7.426 8.623 -3.522 1.00 0.00 C ATOM 608 O ALA A 38 7.122 9.807 -3.401 1.00 0.00 O ATOM 609 CB ALA A 38 8.539 7.925 -5.648 1.00 0.00 C ATOM 0 H ALA A 38 9.352 6.209 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 38 9.448 9.024 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.143 8.814 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.496 7.659 -6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.838 7.100 -5.772 1.00 0.00 H new ATOM 615 N ALA A 39 6.673 7.624 -3.082 1.00 0.00 N ATOM 616 CA ALA A 39 5.402 7.850 -2.414 1.00 0.00 C ATOM 617 C ALA A 39 5.569 8.846 -1.278 1.00 0.00 C ATOM 618 O ALA A 39 4.625 9.536 -0.892 1.00 0.00 O ATOM 619 CB ALA A 39 4.860 6.536 -1.876 1.00 0.00 C ATOM 0 H ALA A 39 6.925 6.640 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 39 4.696 8.260 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.907 6.713 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.714 5.838 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.570 6.114 -1.165 1.00 0.00 H new ATOM 625 N VAL A 40 6.781 8.900 -0.736 1.00 0.00 N ATOM 626 CA VAL A 40 7.082 9.790 0.367 1.00 0.00 C ATOM 627 C VAL A 40 7.709 11.094 -0.120 1.00 0.00 C ATOM 628 O VAL A 40 7.111 12.161 0.009 1.00 0.00 O ATOM 629 CB VAL A 40 8.025 9.095 1.378 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.682 10.097 2.317 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.269 8.038 2.167 1.00 0.00 C ATOM 0 H VAL A 40 7.570 8.334 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 40 6.141 10.032 0.861 1.00 0.00 H new ATOM 0 HB VAL A 40 8.819 8.610 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.336 9.570 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.268 10.810 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.913 10.630 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.946 7.558 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.449 8.507 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.869 7.290 1.483 1.00 0.00 H new ATOM 641 N ARG A 41 8.920 10.995 -0.664 1.00 0.00 N ATOM 642 CA ARG A 41 9.655 12.162 -1.167 1.00 0.00 C ATOM 643 C ARG A 41 10.302 12.950 -0.025 1.00 0.00 C ATOM 644 O ARG A 41 11.294 13.649 -0.230 1.00 0.00 O ATOM 645 CB ARG A 41 8.734 13.086 -1.988 1.00 0.00 C ATOM 646 CG ARG A 41 9.423 14.336 -2.523 1.00 0.00 C ATOM 647 CD ARG A 41 9.516 15.423 -1.462 1.00 0.00 C ATOM 648 NE ARG A 41 8.807 16.638 -1.858 1.00 0.00 N ATOM 649 CZ ARG A 41 8.842 17.775 -1.167 1.00 0.00 C ATOM 650 NH1 ARG A 41 9.553 17.857 -0.048 1.00 0.00 N ATOM 651 NH2 ARG A 41 8.165 18.832 -1.593 1.00 0.00 N ATOM 0 H ARG A 41 9.420 10.112 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 41 10.446 11.788 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.326 12.522 -2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.891 13.387 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.424 14.080 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.873 14.714 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.102 15.051 -0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.564 15.659 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 41 8.253 16.613 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.075 17.047 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.577 18.730 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.617 18.774 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.192 19.703 -1.063 1.00 0.00 H new ATOM 665 N ARG A 42 9.737 12.833 1.170 1.00 0.00 N ATOM 666 CA ARG A 42 10.258 13.533 2.340 1.00 0.00 C ATOM 667 C ARG A 42 11.543 12.862 2.831 1.00 0.00 C ATOM 668 O ARG A 42 12.001 11.883 2.242 1.00 0.00 O ATOM 669 CB ARG A 42 9.191 13.539 3.451 1.00 0.00 C ATOM 670 CG ARG A 42 9.405 14.571 4.563 1.00 0.00 C ATOM 671 CD ARG A 42 8.174 15.441 4.759 1.00 0.00 C ATOM 672 NE ARG A 42 7.956 15.771 6.166 1.00 0.00 N ATOM 673 CZ ARG A 42 8.758 16.564 6.873 1.00 0.00 C ATOM 674 NH1 ARG A 42 9.830 17.108 6.311 1.00 0.00 N ATOM 675 NH2 ARG A 42 8.488 16.814 8.148 1.00 0.00 N ATOM 0 H ARG A 42 8.915 12.258 1.356 1.00 0.00 H new ATOM 0 HA ARG A 42 10.494 14.562 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.217 13.718 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.154 12.547 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.642 14.059 5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.261 15.200 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.284 16.360 4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.298 14.923 4.368 1.00 0.00 H new ATOM 0 HE ARG A 42 7.142 15.371 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.044 16.919 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.440 17.715 6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.666 16.398 8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.103 17.422 8.690 1.00 0.00 H new ATOM 689 N LYS A 43 12.122 13.394 3.904 1.00 0.00 N ATOM 690 CA LYS A 43 13.353 12.847 4.467 1.00 0.00 C ATOM 691 C LYS A 43 13.189 11.368 4.824 1.00 0.00 C ATOM 692 O LYS A 43 12.261 10.708 4.362 1.00 0.00 O ATOM 693 CB LYS A 43 13.760 13.646 5.707 1.00 0.00 C ATOM 694 CG LYS A 43 15.247 13.950 5.775 1.00 0.00 C ATOM 695 CD LYS A 43 15.683 14.292 7.190 1.00 0.00 C ATOM 696 CE LYS A 43 16.333 13.101 7.878 1.00 0.00 C ATOM 697 NZ LYS A 43 17.818 13.151 7.785 1.00 0.00 N ATOM 0 H LYS A 43 11.757 14.206 4.402 1.00 0.00 H new ATOM 0 HA LYS A 43 14.137 12.927 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.205 14.584 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.470 13.090 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.812 13.089 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.480 14.782 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.385 15.126 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.819 14.620 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.035 13.080 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.971 12.178 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.224 12.323 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.104 13.146 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.165 14.020 8.240 1.00 0.00 H new ATOM 711 N ASN A 44 14.105 10.860 5.647 1.00 0.00 N ATOM 712 CA ASN A 44 14.082 9.461 6.072 1.00 0.00 C ATOM 713 C ASN A 44 12.681 9.022 6.524 1.00 0.00 C ATOM 714 O ASN A 44 12.366 9.101 7.710 1.00 0.00 O ATOM 715 CB ASN A 44 15.072 9.250 7.219 1.00 0.00 C ATOM 716 CG ASN A 44 16.483 9.662 6.849 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.729 10.156 5.748 1.00 0.00 O ATOM 718 ND2 ASN A 44 17.418 9.461 7.769 1.00 0.00 N ATOM 0 H ASN A 44 14.878 11.401 6.035 1.00 0.00 H new ATOM 0 HA ASN A 44 14.366 8.853 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.745 9.823 8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.068 8.200 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.386 9.719 7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.169 9.049 8.668 1.00 0.00 H new ATOM 725 N PHE A 45 11.847 8.557 5.580 1.00 0.00 N ATOM 726 CA PHE A 45 10.490 8.101 5.881 1.00 0.00 C ATOM 727 C PHE A 45 10.440 7.282 7.172 1.00 0.00 C ATOM 728 O PHE A 45 10.520 6.055 7.146 1.00 0.00 O ATOM 729 CB PHE A 45 9.955 7.261 4.710 1.00 0.00 C ATOM 730 CG PHE A 45 10.844 6.103 4.310 1.00 0.00 C ATOM 731 CD1 PHE A 45 12.019 5.817 4.997 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.496 5.297 3.235 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.822 4.758 4.620 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.298 4.236 2.855 1.00 0.00 C ATOM 735 CZ PHE A 45 12.462 3.967 3.548 1.00 0.00 C ATOM 0 H PHE A 45 12.097 8.489 4.593 1.00 0.00 H new ATOM 0 HA PHE A 45 9.864 8.982 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.972 6.873 4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.817 7.911 3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.308 6.431 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.587 5.501 2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.731 4.549 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.014 3.618 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.089 3.139 3.252 1.00 0.00 H new ATOM 745 N LYS A 46 10.302 7.975 8.293 1.00 0.00 N ATOM 746 CA LYS A 46 10.244 7.328 9.602 1.00 0.00 C ATOM 747 C LYS A 46 9.128 6.280 9.642 1.00 0.00 C ATOM 748 O LYS A 46 7.949 6.621 9.727 1.00 0.00 O ATOM 749 CB LYS A 46 10.022 8.383 10.695 1.00 0.00 C ATOM 750 CG LYS A 46 10.467 7.958 12.092 1.00 0.00 C ATOM 751 CD LYS A 46 11.787 8.608 12.496 1.00 0.00 C ATOM 752 CE LYS A 46 12.869 8.439 11.435 1.00 0.00 C ATOM 753 NZ LYS A 46 13.451 9.747 11.027 1.00 0.00 N ATOM 0 H LYS A 46 10.227 8.992 8.325 1.00 0.00 H new ATOM 0 HA LYS A 46 11.192 6.821 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.558 9.291 10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.962 8.635 10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.696 8.225 12.815 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.572 6.874 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.624 9.670 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.131 8.172 13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.659 7.794 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.448 7.940 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.183 9.591 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.702 10.353 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.875 10.212 11.855 1.00 0.00 H new ATOM 767 N PRO A 47 9.491 4.987 9.551 1.00 0.00 N ATOM 768 CA PRO A 47 8.533 3.862 9.542 1.00 0.00 C ATOM 769 C PRO A 47 7.662 3.741 10.796 1.00 0.00 C ATOM 770 O PRO A 47 6.842 2.831 10.899 1.00 0.00 O ATOM 771 CB PRO A 47 9.443 2.640 9.423 1.00 0.00 C ATOM 772 CG PRO A 47 10.614 3.177 8.718 1.00 0.00 C ATOM 773 CD PRO A 47 10.868 4.487 9.407 1.00 0.00 C ATOM 0 HA PRO A 47 7.807 3.988 8.739 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.709 2.236 10.400 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.968 1.834 8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.472 2.509 8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.414 3.315 7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.365 4.360 10.369 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.491 5.154 8.812 1.00 0.00 H new ATOM 781 N THR A 48 7.852 4.636 11.753 1.00 0.00 N ATOM 782 CA THR A 48 7.090 4.597 13.001 1.00 0.00 C ATOM 783 C THR A 48 5.591 4.723 12.742 1.00 0.00 C ATOM 784 O THR A 48 4.813 3.839 13.100 1.00 0.00 O ATOM 785 CB THR A 48 7.552 5.724 13.930 1.00 0.00 C ATOM 786 OG1 THR A 48 6.762 5.761 15.106 1.00 0.00 O ATOM 787 CG2 THR A 48 7.476 7.086 13.282 1.00 0.00 C ATOM 0 H THR A 48 8.526 5.399 11.694 1.00 0.00 H new ATOM 0 HA THR A 48 7.272 3.633 13.476 1.00 0.00 H new ATOM 0 HB THR A 48 8.593 5.504 14.166 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.074 6.486 15.687 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.816 7.844 13.988 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.112 7.104 12.397 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.446 7.295 12.993 1.00 0.00 H new ATOM 795 N LYS A 49 5.195 5.825 12.118 1.00 0.00 N ATOM 796 CA LYS A 49 3.796 6.077 11.808 1.00 0.00 C ATOM 797 C LYS A 49 3.613 6.253 10.303 1.00 0.00 C ATOM 798 O LYS A 49 2.525 6.034 9.770 1.00 0.00 O ATOM 799 CB LYS A 49 3.309 7.326 12.543 1.00 0.00 C ATOM 800 CG LYS A 49 3.658 7.338 14.022 1.00 0.00 C ATOM 801 CD LYS A 49 2.716 8.233 14.810 1.00 0.00 C ATOM 802 CE LYS A 49 3.033 9.704 14.593 1.00 0.00 C ATOM 803 NZ LYS A 49 4.493 9.979 14.688 1.00 0.00 N ATOM 0 H LYS A 49 5.830 6.563 11.815 1.00 0.00 H new ATOM 0 HA LYS A 49 3.206 5.221 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.741 8.207 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.227 7.403 12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.611 6.323 14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.684 7.684 14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.687 8.033 14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.790 7.996 15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.669 10.013 13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.502 10.302 15.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.643 10.981 14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.911 9.382 15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.946 9.767 13.776 1.00 0.00 H new ATOM 817 N TYR A 50 4.688 6.654 9.621 1.00 0.00 N ATOM 818 CA TYR A 50 4.644 6.864 8.185 1.00 0.00 C ATOM 819 C TYR A 50 4.736 5.547 7.420 1.00 0.00 C ATOM 820 O TYR A 50 4.373 5.499 6.248 1.00 0.00 O ATOM 821 CB TYR A 50 5.759 7.814 7.739 1.00 0.00 C ATOM 822 CG TYR A 50 5.519 9.270 8.100 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.357 9.677 8.754 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.459 10.242 7.778 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.146 11.005 9.073 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.252 11.571 8.096 1.00 0.00 C ATOM 827 CZ TYR A 50 5.094 11.947 8.742 1.00 0.00 C ATOM 828 OH TYR A 50 4.887 13.270 9.060 1.00 0.00 O ATOM 0 H TYR A 50 5.597 6.838 10.046 1.00 0.00 H new ATOM 0 HA TYR A 50 3.681 7.320 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.698 7.490 8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.878 7.734 6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.610 8.943 9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.367 9.954 7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.240 11.303 9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.995 12.312 7.839 1.00 0.00 H new ATOM 0 HH TYR A 50 5.652 13.803 8.758 1.00 0.00 H new ATOM 838 N SER A 51 5.226 4.481 8.072 1.00 0.00 N ATOM 839 CA SER A 51 5.348 3.169 7.411 1.00 0.00 C ATOM 840 C SER A 51 4.004 2.676 6.863 1.00 0.00 C ATOM 841 O SER A 51 3.507 1.627 7.267 1.00 0.00 O ATOM 842 CB SER A 51 5.900 2.121 8.382 1.00 0.00 C ATOM 843 OG SER A 51 5.070 2.002 9.526 1.00 0.00 O ATOM 0 H SER A 51 5.540 4.498 9.042 1.00 0.00 H new ATOM 0 HA SER A 51 6.037 3.302 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.973 1.157 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.909 2.398 8.687 1.00 0.00 H new ATOM 0 HG SER A 51 5.382 2.618 10.222 1.00 0.00 H new ATOM 849 N SER A 52 3.427 3.431 5.940 1.00 0.00 N ATOM 850 CA SER A 52 2.152 3.072 5.330 1.00 0.00 C ATOM 851 C SER A 52 1.784 4.086 4.262 1.00 0.00 C ATOM 852 O SER A 52 2.196 5.241 4.324 1.00 0.00 O ATOM 853 CB SER A 52 1.051 2.992 6.389 1.00 0.00 C ATOM 854 OG SER A 52 0.923 4.220 7.085 1.00 0.00 O ATOM 0 H SER A 52 3.825 4.304 5.594 1.00 0.00 H new ATOM 0 HA SER A 52 2.252 2.091 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.103 2.739 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.278 2.192 7.094 1.00 0.00 H new ATOM 0 HG SER A 52 0.212 4.144 7.755 1.00 0.00 H new ATOM 860 N ILE A 53 1.011 3.656 3.285 1.00 0.00 N ATOM 861 CA ILE A 53 0.598 4.529 2.205 1.00 0.00 C ATOM 862 C ILE A 53 -0.919 4.467 2.060 1.00 0.00 C ATOM 863 O ILE A 53 -1.538 3.483 2.465 1.00 0.00 O ATOM 864 CB ILE A 53 1.268 4.083 0.886 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.784 3.858 1.085 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.997 5.063 -0.259 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.627 5.115 1.111 1.00 0.00 C ATOM 0 H ILE A 53 0.655 2.703 3.217 1.00 0.00 H new ATOM 0 HA ILE A 53 0.901 5.552 2.428 1.00 0.00 H new ATOM 0 HB ILE A 53 0.818 3.132 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.935 3.320 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.147 3.213 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.488 4.708 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.077 5.133 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.387 6.046 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.674 4.848 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.515 5.648 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.300 5.756 1.930 1.00 0.00 H new ATOM 879 N CYS A 54 -1.525 5.509 1.503 1.00 0.00 N ATOM 880 CA CYS A 54 -2.969 5.525 1.347 1.00 0.00 C ATOM 881 C CYS A 54 -3.354 5.373 -0.135 1.00 0.00 C ATOM 882 O CYS A 54 -2.555 5.672 -1.021 1.00 0.00 O ATOM 883 CB CYS A 54 -3.543 6.791 1.992 1.00 0.00 C ATOM 884 SG CYS A 54 -3.683 8.221 0.911 1.00 0.00 S ATOM 0 H CYS A 54 -1.045 6.340 1.158 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.409 4.672 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.532 6.559 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.915 7.061 2.841 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.495 8.634 0.582 1.00 0.00 H new ATOM 889 N SER A 55 -4.556 4.850 -0.395 1.00 0.00 N ATOM 890 CA SER A 55 -5.014 4.593 -1.760 1.00 0.00 C ATOM 891 C SER A 55 -4.958 5.823 -2.672 1.00 0.00 C ATOM 892 O SER A 55 -4.659 5.703 -3.860 1.00 0.00 O ATOM 893 CB SER A 55 -6.442 4.043 -1.732 1.00 0.00 C ATOM 894 OG SER A 55 -7.098 4.386 -0.522 1.00 0.00 O ATOM 0 H SER A 55 -5.231 4.596 0.327 1.00 0.00 H new ATOM 0 HA SER A 55 -4.325 3.861 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.004 4.438 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.420 2.959 -1.842 1.00 0.00 H new ATOM 0 HG SER A 55 -8.044 4.567 -0.703 1.00 0.00 H new ATOM 900 N GLU A 56 -5.277 6.994 -2.128 1.00 0.00 N ATOM 901 CA GLU A 56 -5.300 8.228 -2.882 1.00 0.00 C ATOM 902 C GLU A 56 -4.157 8.355 -3.899 1.00 0.00 C ATOM 903 O GLU A 56 -4.292 9.061 -4.898 1.00 0.00 O ATOM 904 CB GLU A 56 -5.269 9.385 -1.899 1.00 0.00 C ATOM 905 CG GLU A 56 -6.400 9.343 -0.897 1.00 0.00 C ATOM 906 CD GLU A 56 -6.785 10.718 -0.390 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.959 11.647 -0.507 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.914 10.867 0.125 1.00 0.00 O ATOM 0 H GLU A 56 -5.527 7.106 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.215 8.238 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.319 9.375 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.315 10.324 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.270 8.873 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.109 8.718 -0.053 1.00 0.00 H new ATOM 915 N HIS A 57 -3.033 7.694 -3.639 1.00 0.00 N ATOM 916 CA HIS A 57 -1.878 7.769 -4.539 1.00 0.00 C ATOM 917 C HIS A 57 -1.803 6.558 -5.459 1.00 0.00 C ATOM 918 O HIS A 57 -1.268 6.640 -6.565 1.00 0.00 O ATOM 919 CB HIS A 57 -0.587 7.875 -3.717 1.00 0.00 C ATOM 920 CG HIS A 57 -0.725 8.775 -2.547 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.129 10.090 -2.637 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.560 8.514 -1.238 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.213 10.597 -1.414 1.00 0.00 C ATOM 924 NE2 HIS A 57 -0.872 9.654 -0.542 1.00 0.00 N ATOM 0 H HIS A 57 -2.894 7.103 -2.819 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.996 8.656 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.297 6.882 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.217 8.238 -4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.239 7.575 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.509 11.606 -1.168 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.847 9.760 0.472 1.00 0.00 H new ATOM 932 N PHE A 58 -2.325 5.434 -4.994 1.00 0.00 N ATOM 933 CA PHE A 58 -2.297 4.206 -5.774 1.00 0.00 C ATOM 934 C PHE A 58 -3.346 4.225 -6.884 1.00 0.00 C ATOM 935 O PHE A 58 -4.291 5.015 -6.843 1.00 0.00 O ATOM 936 CB PHE A 58 -2.540 3.007 -4.862 1.00 0.00 C ATOM 937 CG PHE A 58 -1.306 2.585 -4.133 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.282 1.946 -4.807 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.163 2.841 -2.781 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.865 1.565 -4.145 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.018 2.465 -2.115 1.00 0.00 C ATOM 942 CZ PHE A 58 0.997 1.826 -2.797 1.00 0.00 C ATOM 0 H PHE A 58 -2.773 5.346 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.313 4.126 -6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.318 3.255 -4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.911 2.172 -5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.382 1.743 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.956 3.340 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.658 1.064 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.085 2.670 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.895 1.530 -2.275 1.00 0.00 H new ATOM 952 N THR A 59 -3.186 3.341 -7.866 1.00 0.00 N ATOM 953 CA THR A 59 -4.132 3.248 -8.973 1.00 0.00 C ATOM 954 C THR A 59 -5.345 2.414 -8.568 1.00 0.00 C ATOM 955 O THR A 59 -5.224 1.438 -7.827 1.00 0.00 O ATOM 956 CB THR A 59 -3.473 2.621 -10.211 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.705 1.489 -9.847 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.562 3.562 -10.982 1.00 0.00 C ATOM 0 H THR A 59 -2.411 2.680 -7.917 1.00 0.00 H new ATOM 0 HA THR A 59 -4.453 4.260 -9.221 1.00 0.00 H new ATOM 0 HB THR A 59 -4.307 2.355 -10.861 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.294 1.101 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.139 3.038 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.136 4.421 -11.329 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.756 3.903 -10.332 1.00 0.00 H new ATOM 966 N PRO A 60 -6.532 2.790 -9.064 1.00 0.00 N ATOM 967 CA PRO A 60 -7.786 2.083 -8.773 1.00 0.00 C ATOM 968 C PRO A 60 -7.667 0.582 -9.011 1.00 0.00 C ATOM 969 O PRO A 60 -8.251 -0.225 -8.288 1.00 0.00 O ATOM 970 CB PRO A 60 -8.761 2.693 -9.782 1.00 0.00 C ATOM 971 CG PRO A 60 -8.232 4.050 -10.026 1.00 0.00 C ATOM 972 CD PRO A 60 -6.742 3.934 -9.963 1.00 0.00 C ATOM 0 HA PRO A 60 -8.089 2.190 -7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.798 2.109 -10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.775 2.727 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.553 4.424 -10.998 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.600 4.752 -9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.310 3.757 -10.948 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.283 4.843 -9.573 1.00 0.00 H new ATOM 980 N ASP A 61 -6.916 0.224 -10.046 1.00 0.00 N ATOM 981 CA ASP A 61 -6.719 -1.178 -10.412 1.00 0.00 C ATOM 982 C ASP A 61 -5.984 -1.959 -9.325 1.00 0.00 C ATOM 983 O ASP A 61 -6.078 -3.185 -9.263 1.00 0.00 O ATOM 984 CB ASP A 61 -5.950 -1.276 -11.730 1.00 0.00 C ATOM 985 CG ASP A 61 -5.920 -2.689 -12.278 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.943 -3.396 -12.155 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.874 -3.090 -12.830 1.00 0.00 O ATOM 0 H ASP A 61 -6.431 0.887 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.707 -1.624 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.408 -0.614 -12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.929 -0.926 -11.579 1.00 0.00 H new ATOM 992 N CYS A 62 -5.249 -1.252 -8.475 1.00 0.00 N ATOM 993 CA CYS A 62 -4.497 -1.889 -7.401 1.00 0.00 C ATOM 994 C CYS A 62 -5.325 -1.985 -6.118 1.00 0.00 C ATOM 995 O CYS A 62 -4.777 -2.104 -5.022 1.00 0.00 O ATOM 996 CB CYS A 62 -3.206 -1.112 -7.137 1.00 0.00 C ATOM 997 SG CYS A 62 -2.097 -1.905 -5.947 1.00 0.00 S ATOM 0 H CYS A 62 -5.158 -0.237 -8.509 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.252 -2.903 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.675 -0.979 -8.080 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.461 -0.117 -6.772 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.791 -2.374 -4.953 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.647 -1.937 -6.254 1.00 0.00 N ATOM 1004 CA PHE A 63 -7.532 -2.024 -5.100 1.00 0.00 C ATOM 1005 C PHE A 63 -8.380 -3.289 -5.163 1.00 0.00 C ATOM 1006 O PHE A 63 -9.532 -3.300 -4.731 1.00 0.00 O ATOM 1007 CB PHE A 63 -8.431 -0.788 -5.039 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.680 0.500 -4.835 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -6.485 0.524 -4.130 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -8.171 1.688 -5.352 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.797 1.708 -3.946 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.485 2.874 -5.171 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.297 2.884 -4.468 1.00 0.00 C ATOM 0 H PHE A 63 -7.126 -1.839 -7.149 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.922 -2.067 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.004 -0.721 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -9.148 -0.912 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.088 -0.393 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.100 1.687 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.869 1.713 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.878 3.793 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.760 3.810 -4.327 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.072 -4.802 -2.216 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.283 -4.057 -3.214 1.00 0.00 C ATOM 1166 C LEU A 72 0.638 -4.973 -4.030 1.00 0.00 C ATOM 1167 O LEU A 72 1.844 -5.048 -3.793 1.00 0.00 O ATOM 1168 CB LEU A 72 0.534 -2.977 -2.495 1.00 0.00 C ATOM 1169 CG LEU A 72 1.607 -3.511 -1.545 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.938 -2.815 -1.789 1.00 0.00 C ATOM 1171 CD2 LEU A 72 1.164 -3.339 -0.102 1.00 0.00 C ATOM 0 HA LEU A 72 -0.973 -3.598 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.013 -2.345 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.148 -2.341 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 72 1.744 -4.575 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.687 -3.210 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.258 -2.992 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.824 -1.744 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.937 -3.723 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.000 -2.281 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.237 -3.889 0.062 1.00 0.00 H new ATOM 1183 N LYS A 73 0.036 -5.678 -4.983 1.00 0.00 N ATOM 1184 CA LYS A 73 0.754 -6.618 -5.846 1.00 0.00 C ATOM 1185 C LYS A 73 1.848 -5.937 -6.661 1.00 0.00 C ATOM 1186 O LYS A 73 2.039 -4.725 -6.584 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.230 -7.314 -6.788 1.00 0.00 C ATOM 1188 CG LYS A 73 0.102 -8.776 -7.040 1.00 0.00 C ATOM 1189 CD LYS A 73 -0.931 -9.700 -6.416 1.00 0.00 C ATOM 1190 CE LYS A 73 -2.291 -9.548 -7.081 1.00 0.00 C ATOM 1191 NZ LYS A 73 -2.210 -9.733 -8.557 1.00 0.00 N ATOM 0 H LYS A 73 -0.963 -5.616 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 73 1.235 -7.350 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.233 -7.245 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.246 -6.784 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.153 -8.958 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.087 -9.002 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.596 -10.734 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.019 -9.482 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.984 -10.277 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.695 -8.560 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.164 -9.893 -8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.800 -8.882 -8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.609 -10.554 -8.771 1.00 0.00 H new ATOM 1205 N GLU A 74 2.560 -6.744 -7.447 1.00 0.00 N ATOM 1206 CA GLU A 74 3.644 -6.251 -8.296 1.00 0.00 C ATOM 1207 C GLU A 74 3.211 -5.018 -9.078 1.00 0.00 C ATOM 1208 O GLU A 74 4.020 -4.144 -9.382 1.00 0.00 O ATOM 1209 CB GLU A 74 4.103 -7.352 -9.258 1.00 0.00 C ATOM 1210 CG GLU A 74 5.102 -6.880 -10.306 1.00 0.00 C ATOM 1211 CD GLU A 74 6.254 -6.095 -9.708 1.00 0.00 C ATOM 1212 OE1 GLU A 74 6.706 -6.457 -8.602 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.700 -5.118 -10.344 1.00 0.00 O ATOM 0 H GLU A 74 2.404 -7.750 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 74 4.477 -5.969 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.552 -8.161 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.230 -7.766 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.496 -7.744 -10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.587 -6.259 -11.039 1.00 0.00 H new ATOM 1220 N ASN A 75 1.928 -4.954 -9.388 1.00 0.00 N ATOM 1221 CA ASN A 75 1.377 -3.823 -10.120 1.00 0.00 C ATOM 1222 C ASN A 75 1.434 -2.576 -9.258 1.00 0.00 C ATOM 1223 O ASN A 75 1.754 -1.483 -9.727 1.00 0.00 O ATOM 1224 CB ASN A 75 -0.069 -4.106 -10.519 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.176 -5.192 -11.572 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.599 -5.226 -12.528 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -1.141 -6.088 -11.401 1.00 0.00 N ATOM 0 H ASN A 75 1.246 -5.672 -9.145 1.00 0.00 H new ATOM 0 HA ASN A 75 1.969 -3.667 -11.022 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.635 -4.403 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.525 -3.191 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.262 -6.842 -12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.761 -6.022 -10.594 1.00 0.00 H new ATOM 1234 N ALA A 76 1.104 -2.767 -7.990 1.00 0.00 N ATOM 1235 CA ALA A 76 1.085 -1.700 -7.004 1.00 0.00 C ATOM 1236 C ALA A 76 2.184 -0.679 -7.220 1.00 0.00 C ATOM 1237 O ALA A 76 3.337 -1.028 -7.464 1.00 0.00 O ATOM 1238 CB ALA A 76 1.164 -2.272 -5.602 1.00 0.00 C ATOM 0 H ALA A 76 0.839 -3.677 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 76 0.138 -1.175 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.149 -1.459 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.312 -2.929 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.088 -2.839 -5.492 1.00 0.00 H new ATOM 1244 N VAL A 77 1.793 0.585 -7.134 1.00 0.00 N ATOM 1245 CA VAL A 77 2.702 1.697 -7.325 1.00 0.00 C ATOM 1246 C VAL A 77 1.986 3.014 -6.983 1.00 0.00 C ATOM 1247 O VAL A 77 0.822 3.197 -7.340 1.00 0.00 O ATOM 1248 CB VAL A 77 3.179 1.728 -8.796 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.567 3.134 -9.243 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.333 0.766 -9.013 1.00 0.00 C ATOM 0 H VAL A 77 0.834 0.864 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 77 3.564 1.577 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 77 2.337 1.409 -9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.896 3.108 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.706 3.796 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.377 3.505 -8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.650 0.807 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.167 1.047 -8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.013 -0.247 -8.771 1.00 0.00 H new ATOM 1260 N PRO A 78 2.663 3.948 -6.294 1.00 0.00 N ATOM 1261 CA PRO A 78 2.082 5.238 -5.918 1.00 0.00 C ATOM 1262 C PRO A 78 2.259 6.309 -6.999 1.00 0.00 C ATOM 1263 O PRO A 78 2.445 7.483 -6.685 1.00 0.00 O ATOM 1264 CB PRO A 78 2.880 5.605 -4.684 1.00 0.00 C ATOM 1265 CG PRO A 78 4.242 5.052 -4.948 1.00 0.00 C ATOM 1266 CD PRO A 78 4.053 3.830 -5.816 1.00 0.00 C ATOM 0 HA PRO A 78 1.005 5.176 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.911 6.685 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.443 5.173 -3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.869 5.790 -5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.741 4.791 -4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.761 3.815 -6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.205 2.911 -5.251 1.00 0.00 H new ATOM 1274 N THR A 79 2.217 5.872 -8.260 1.00 0.00 N ATOM 1275 CA THR A 79 2.378 6.734 -9.445 1.00 0.00 C ATOM 1276 C THR A 79 2.401 8.240 -9.145 1.00 0.00 C ATOM 1277 O THR A 79 3.284 8.952 -9.623 1.00 0.00 O ATOM 1278 CB THR A 79 1.263 6.440 -10.449 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.059 6.109 -9.779 1.00 0.00 O ATOM 1280 CG2 THR A 79 1.591 5.302 -11.393 1.00 0.00 C ATOM 0 H THR A 79 2.067 4.891 -8.496 1.00 0.00 H new ATOM 0 HA THR A 79 3.359 6.491 -9.853 1.00 0.00 H new ATOM 0 HB THR A 79 1.152 7.354 -11.033 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.643 5.926 -10.438 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.758 5.146 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.488 5.548 -11.962 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.764 4.392 -10.819 1.00 0.00 H new ATOM 1288 N ILE A 80 1.415 8.727 -8.393 1.00 0.00 N ATOM 1289 CA ILE A 80 1.313 10.146 -8.081 1.00 0.00 C ATOM 1290 C ILE A 80 2.669 10.798 -7.778 1.00 0.00 C ATOM 1291 O ILE A 80 2.929 11.921 -8.211 1.00 0.00 O ATOM 1292 CB ILE A 80 0.329 10.393 -6.929 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.069 10.467 -7.522 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.654 11.678 -6.168 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.142 10.694 -6.502 1.00 0.00 C ATOM 0 H ILE A 80 0.674 8.154 -7.989 1.00 0.00 H new ATOM 0 HA ILE A 80 0.929 10.623 -8.982 1.00 0.00 H new ATOM 0 HB ILE A 80 0.403 9.577 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.101 11.272 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.277 9.540 -8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.066 11.815 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.658 11.609 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.602 12.527 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.112 10.736 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.138 9.876 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.958 11.635 -5.984 1.00 0.00 H new ATOM 1307 N PHE A 81 3.529 10.103 -7.036 1.00 0.00 N ATOM 1308 CA PHE A 81 4.835 10.641 -6.696 1.00 0.00 C ATOM 1309 C PHE A 81 5.918 10.129 -7.644 1.00 0.00 C ATOM 1310 O PHE A 81 7.034 10.648 -7.660 1.00 0.00 O ATOM 1311 CB PHE A 81 5.217 10.319 -5.244 1.00 0.00 C ATOM 1312 CG PHE A 81 4.191 10.739 -4.232 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.911 10.215 -4.268 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.512 11.649 -3.238 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.969 10.593 -3.336 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.572 12.029 -2.300 1.00 0.00 C ATOM 1317 CZ PHE A 81 2.298 11.499 -2.351 1.00 0.00 C ATOM 0 H PHE A 81 3.342 9.172 -6.663 1.00 0.00 H new ATOM 0 HA PHE A 81 4.766 11.723 -6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.383 9.246 -5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.163 10.809 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.647 9.502 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.508 12.066 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.972 10.179 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.833 12.739 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.560 11.794 -1.620 1.00 0.00 H new ATOM 1327 N LEU A 82 5.587 9.110 -8.434 1.00 0.00 N ATOM 1328 CA LEU A 82 6.535 8.535 -9.384 1.00 0.00 C ATOM 1329 C LEU A 82 7.158 9.619 -10.261 1.00 0.00 C ATOM 1330 O LEU A 82 6.487 10.209 -11.108 1.00 0.00 O ATOM 1331 CB LEU A 82 5.836 7.492 -10.260 1.00 0.00 C ATOM 1332 CG LEU A 82 6.704 6.891 -11.367 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.223 5.492 -11.719 1.00 0.00 C ATOM 1334 CD2 LEU A 82 6.692 7.788 -12.595 1.00 0.00 C ATOM 0 H LEU A 82 4.669 8.666 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 82 7.332 8.053 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.478 6.685 -9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.959 7.951 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 82 7.729 6.819 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.851 5.079 -12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.282 4.854 -10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.190 5.539 -12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.314 7.347 -13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.670 7.890 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.083 8.771 -12.332 1.00 0.00 H new