USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0945 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.0179 (180deg=-0.208) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.02 X(o=-1,f=-0.62) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.692 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -0.541 (180deg=-2.24!) USER MOD Single : A 27 ASN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.1) USER MOD Single : A 41 ASN :FLIP amide:sc= -1.05 F(o=-2.8!,f=-1.1) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -4.16! C(o=-4.2!,f=-8.3!) USER MOD Single : A 48 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -151:sc= 1.15 USER MOD Single : A 63 SER OG : rot -110:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.987 -18.564 -5.828 1.00 0.00 N ATOM 2 CA GLY A 1 -7.750 -17.944 -4.537 1.00 0.00 C ATOM 3 C GLY A 1 -8.690 -16.786 -4.269 1.00 0.00 C ATOM 4 O GLY A 1 -9.549 -16.471 -5.093 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.103 -19.590 -5.704 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.850 -18.167 -6.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.178 -18.380 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.866 -18.691 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.720 -17.590 -4.491 1.00 0.00 H new ATOM 8 N SER A 2 -8.530 -16.151 -3.112 1.00 0.00 N ATOM 9 CA SER A 2 -9.375 -15.025 -2.735 1.00 0.00 C ATOM 10 C SER A 2 -10.851 -15.373 -2.901 1.00 0.00 C ATOM 11 O SER A 2 -11.638 -14.566 -3.395 1.00 0.00 O ATOM 12 CB SER A 2 -9.030 -13.796 -3.579 1.00 0.00 C ATOM 13 OG SER A 2 -7.912 -13.108 -3.046 1.00 0.00 O ATOM 0 H SER A 2 -7.823 -16.398 -2.420 1.00 0.00 H new ATOM 0 HA SER A 2 -9.190 -14.799 -1.685 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.818 -14.102 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.888 -13.126 -3.618 1.00 0.00 H new ATOM 0 HG SER A 2 -7.711 -12.328 -3.604 1.00 0.00 H new ATOM 19 N SER A 3 -11.218 -16.581 -2.485 1.00 0.00 N ATOM 20 CA SER A 3 -12.598 -17.039 -2.592 1.00 0.00 C ATOM 21 C SER A 3 -13.307 -16.945 -1.244 1.00 0.00 C ATOM 22 O SER A 3 -14.370 -16.337 -1.130 1.00 0.00 O ATOM 23 CB SER A 3 -12.642 -18.480 -3.104 1.00 0.00 C ATOM 24 OG SER A 3 -12.531 -18.522 -4.516 1.00 0.00 O ATOM 0 H SER A 3 -10.579 -17.260 -2.071 1.00 0.00 H new ATOM 0 HA SER A 3 -13.115 -16.393 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.831 -19.054 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.575 -18.951 -2.795 1.00 0.00 H new ATOM 0 HG SER A 3 -12.560 -19.454 -4.819 1.00 0.00 H new ATOM 30 N GLY A 4 -12.709 -17.554 -0.224 1.00 0.00 N ATOM 31 CA GLY A 4 -13.296 -17.528 1.103 1.00 0.00 C ATOM 32 C GLY A 4 -12.911 -16.287 1.884 1.00 0.00 C ATOM 33 O GLY A 4 -13.757 -15.443 2.178 1.00 0.00 O ATOM 0 H GLY A 4 -11.829 -18.065 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.382 -17.577 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.979 -18.413 1.654 1.00 0.00 H new ATOM 37 N SER A 5 -11.630 -16.176 2.221 1.00 0.00 N ATOM 38 CA SER A 5 -11.135 -15.031 2.978 1.00 0.00 C ATOM 39 C SER A 5 -10.698 -13.909 2.041 1.00 0.00 C ATOM 40 O SER A 5 -9.958 -14.137 1.084 1.00 0.00 O ATOM 41 CB SER A 5 -9.966 -15.450 3.871 1.00 0.00 C ATOM 42 OG SER A 5 -9.748 -14.504 4.903 1.00 0.00 O ATOM 0 H SER A 5 -10.916 -16.864 1.982 1.00 0.00 H new ATOM 0 HA SER A 5 -11.947 -14.662 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.170 -16.428 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.063 -15.551 3.269 1.00 0.00 H new ATOM 0 HG SER A 5 -8.997 -14.796 5.461 1.00 0.00 H new ATOM 48 N SER A 6 -11.162 -12.696 2.324 1.00 0.00 N ATOM 49 CA SER A 6 -10.823 -11.538 1.505 1.00 0.00 C ATOM 50 C SER A 6 -10.262 -10.410 2.366 1.00 0.00 C ATOM 51 O SER A 6 -10.682 -10.216 3.505 1.00 0.00 O ATOM 52 CB SER A 6 -12.056 -11.048 0.743 1.00 0.00 C ATOM 53 OG SER A 6 -11.705 -10.061 -0.212 1.00 0.00 O ATOM 0 H SER A 6 -11.773 -12.490 3.114 1.00 0.00 H new ATOM 0 HA SER A 6 -10.059 -11.841 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.536 -11.889 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.782 -10.638 1.445 1.00 0.00 H new ATOM 0 HG SER A 6 -12.509 -9.765 -0.687 1.00 0.00 H new ATOM 59 N GLY A 7 -9.307 -9.670 1.811 1.00 0.00 N ATOM 60 CA GLY A 7 -8.703 -8.570 2.540 1.00 0.00 C ATOM 61 C GLY A 7 -7.188 -8.613 2.502 1.00 0.00 C ATOM 62 O GLY A 7 -6.527 -8.842 3.515 1.00 0.00 O ATOM 0 H GLY A 7 -8.941 -9.813 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.047 -7.626 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.038 -8.597 3.577 1.00 0.00 H new ATOM 66 N PRO A 8 -6.616 -8.390 1.310 1.00 0.00 N ATOM 67 CA PRO A 8 -5.163 -8.400 1.115 1.00 0.00 C ATOM 68 C PRO A 8 -4.481 -7.206 1.775 1.00 0.00 C ATOM 69 O PRO A 8 -5.139 -6.243 2.169 1.00 0.00 O ATOM 70 CB PRO A 8 -5.008 -8.329 -0.406 1.00 0.00 C ATOM 71 CG PRO A 8 -6.257 -7.672 -0.884 1.00 0.00 C ATOM 72 CD PRO A 8 -7.343 -8.110 0.060 1.00 0.00 C ATOM 0 HA PRO A 8 -4.698 -9.278 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.126 -7.754 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.893 -9.323 -0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.153 -6.587 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.487 -7.968 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.094 -7.332 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.864 -8.994 -0.309 1.00 0.00 H new ATOM 80 N ARG A 9 -3.159 -7.276 1.893 1.00 0.00 N ATOM 81 CA ARG A 9 -2.389 -6.201 2.507 1.00 0.00 C ATOM 82 C ARG A 9 -1.043 -6.029 1.808 1.00 0.00 C ATOM 83 O ARG A 9 -0.653 -6.852 0.981 1.00 0.00 O ATOM 84 CB ARG A 9 -2.171 -6.486 3.994 1.00 0.00 C ATOM 85 CG ARG A 9 -3.438 -6.381 4.827 1.00 0.00 C ATOM 86 CD ARG A 9 -3.211 -6.867 6.250 1.00 0.00 C ATOM 87 NE ARG A 9 -4.354 -6.583 7.114 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.559 -7.181 8.282 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.702 -8.092 8.723 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.623 -6.870 9.011 1.00 0.00 N ATOM 0 H ARG A 9 -2.599 -8.066 1.572 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.955 -5.276 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.755 -7.487 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.431 -5.787 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.778 -5.346 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.230 -6.969 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.021 -7.940 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.320 -6.390 6.658 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.032 -5.887 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.883 -8.335 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.861 -8.550 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.285 -6.171 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.779 -7.330 9.908 1.00 0.00 H new ATOM 104 N ALA A 10 -0.340 -4.954 2.147 1.00 0.00 N ATOM 105 CA ALA A 10 0.962 -4.675 1.553 1.00 0.00 C ATOM 106 C ALA A 10 1.910 -4.057 2.575 1.00 0.00 C ATOM 107 O ALA A 10 1.480 -3.360 3.494 1.00 0.00 O ATOM 108 CB ALA A 10 0.807 -3.755 0.351 1.00 0.00 C ATOM 0 H ALA A 10 -0.650 -4.262 2.829 1.00 0.00 H new ATOM 0 HA ALA A 10 1.393 -5.620 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.787 -3.555 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.171 -4.234 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.352 -2.817 0.667 1.00 0.00 H new ATOM 114 N LYS A 11 3.202 -4.318 2.410 1.00 0.00 N ATOM 115 CA LYS A 11 4.213 -3.788 3.317 1.00 0.00 C ATOM 116 C LYS A 11 5.195 -2.889 2.573 1.00 0.00 C ATOM 117 O LYS A 11 5.723 -3.264 1.526 1.00 0.00 O ATOM 118 CB LYS A 11 4.967 -4.932 3.998 1.00 0.00 C ATOM 119 CG LYS A 11 5.991 -4.464 5.018 1.00 0.00 C ATOM 120 CD LYS A 11 6.202 -5.498 6.111 1.00 0.00 C ATOM 121 CE LYS A 11 7.176 -6.581 5.674 1.00 0.00 C ATOM 122 NZ LYS A 11 8.573 -6.072 5.596 1.00 0.00 N ATOM 0 H LYS A 11 3.574 -4.894 1.655 1.00 0.00 H new ATOM 0 HA LYS A 11 3.707 -3.192 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.248 -5.587 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.471 -5.528 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.939 -4.263 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.660 -3.525 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.580 -5.008 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.246 -5.951 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.132 -7.414 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.876 -6.968 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.235 -6.874 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.690 -5.511 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.772 -5.475 6.424 1.00 0.00 H new ATOM 136 N ALA A 12 5.436 -1.702 3.121 1.00 0.00 N ATOM 137 CA ALA A 12 6.357 -0.752 2.510 1.00 0.00 C ATOM 138 C ALA A 12 7.783 -1.295 2.506 1.00 0.00 C ATOM 139 O ALA A 12 8.160 -2.083 3.374 1.00 0.00 O ATOM 140 CB ALA A 12 6.301 0.582 3.240 1.00 0.00 C ATOM 0 H ALA A 12 5.006 -1.376 3.987 1.00 0.00 H new ATOM 0 HA ALA A 12 6.050 -0.601 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.994 1.282 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.289 0.984 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.580 0.438 4.284 1.00 0.00 H new ATOM 146 N LEU A 13 8.569 -0.869 1.523 1.00 0.00 N ATOM 147 CA LEU A 13 9.954 -1.313 1.406 1.00 0.00 C ATOM 148 C LEU A 13 10.919 -0.179 1.735 1.00 0.00 C ATOM 149 O LEU A 13 12.050 -0.417 2.161 1.00 0.00 O ATOM 150 CB LEU A 13 10.225 -1.836 -0.006 1.00 0.00 C ATOM 151 CG LEU A 13 9.392 -3.039 -0.448 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.802 -3.491 -1.841 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.534 -4.181 0.548 1.00 0.00 C ATOM 0 H LEU A 13 8.272 -0.218 0.797 1.00 0.00 H new ATOM 0 HA LEU A 13 10.113 -2.119 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.055 -1.023 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.279 -2.104 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 13 8.345 -2.738 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.198 -4.348 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.648 -2.676 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.855 -3.773 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.934 -5.029 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.580 -4.480 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.189 -3.853 1.529 1.00 0.00 H new ATOM 165 N CYS A 14 10.465 1.053 1.536 1.00 0.00 N ATOM 166 CA CYS A 14 11.289 2.225 1.812 1.00 0.00 C ATOM 167 C CYS A 14 10.420 3.431 2.155 1.00 0.00 C ATOM 168 O CYS A 14 9.227 3.454 1.857 1.00 0.00 O ATOM 169 CB CYS A 14 12.176 2.546 0.609 1.00 0.00 C ATOM 170 SG CYS A 14 11.264 3.054 -0.867 1.00 0.00 S ATOM 0 H CYS A 14 9.532 1.267 1.185 1.00 0.00 H new ATOM 0 HA CYS A 14 11.922 2.000 2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.870 3.340 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.775 1.668 0.368 1.00 0.00 H new ATOM 0 HG CYS A 14 12.101 3.306 -1.829 1.00 0.00 H new ATOM 176 N ASN A 15 11.027 4.431 2.785 1.00 0.00 N ATOM 177 CA ASN A 15 10.308 5.640 3.171 1.00 0.00 C ATOM 178 C ASN A 15 9.589 6.252 1.972 1.00 0.00 C ATOM 179 O ASN A 15 10.221 6.644 0.990 1.00 0.00 O ATOM 180 CB ASN A 15 11.274 6.662 3.776 1.00 0.00 C ATOM 181 CG ASN A 15 12.175 7.293 2.734 1.00 0.00 C ATOM 182 OD1 ASN A 15 13.214 6.737 2.376 1.00 0.00 O ATOM 183 ND2 ASN A 15 11.782 8.462 2.241 1.00 0.00 N ATOM 0 H ASN A 15 12.015 4.428 3.039 1.00 0.00 H new ATOM 0 HA ASN A 15 9.563 5.366 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.704 7.442 4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.886 6.174 4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.349 8.935 1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.914 8.887 2.566 1.00 0.00 H new ATOM 190 N TYR A 16 8.266 6.330 2.060 1.00 0.00 N ATOM 191 CA TYR A 16 7.461 6.892 0.982 1.00 0.00 C ATOM 192 C TYR A 16 6.597 8.042 1.490 1.00 0.00 C ATOM 193 O TYR A 16 5.732 8.547 0.774 1.00 0.00 O ATOM 194 CB TYR A 16 6.576 5.810 0.361 1.00 0.00 C ATOM 195 CG TYR A 16 6.287 6.032 -1.106 1.00 0.00 C ATOM 196 CD1 TYR A 16 7.172 5.592 -2.083 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.129 6.680 -1.516 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.913 5.794 -3.425 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.860 6.885 -2.856 1.00 0.00 C ATOM 200 CZ TYR A 16 5.756 6.440 -3.806 1.00 0.00 C ATOM 201 OH TYR A 16 5.493 6.641 -5.142 1.00 0.00 O ATOM 0 H TYR A 16 7.728 6.011 2.866 1.00 0.00 H new ATOM 0 HA TYR A 16 8.138 7.279 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.060 4.841 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.633 5.767 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.078 5.083 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.426 7.030 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.613 5.448 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.954 7.390 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 16 4.638 7.109 -5.240 1.00 0.00 H new ATOM 211 N ARG A 17 6.839 8.451 2.731 1.00 0.00 N ATOM 212 CA ARG A 17 6.083 9.541 3.337 1.00 0.00 C ATOM 213 C ARG A 17 6.591 10.894 2.845 1.00 0.00 C ATOM 214 O ARG A 17 6.250 11.936 3.402 1.00 0.00 O ATOM 215 CB ARG A 17 6.181 9.472 4.862 1.00 0.00 C ATOM 216 CG ARG A 17 7.599 9.622 5.389 1.00 0.00 C ATOM 217 CD ARG A 17 7.988 11.086 5.531 1.00 0.00 C ATOM 218 NE ARG A 17 9.204 11.254 6.321 1.00 0.00 N ATOM 219 CZ ARG A 17 9.588 12.414 6.842 1.00 0.00 C ATOM 220 NH1 ARG A 17 8.853 13.503 6.658 1.00 0.00 N ATOM 221 NH2 ARG A 17 10.708 12.488 7.550 1.00 0.00 N ATOM 0 H ARG A 17 7.552 8.044 3.336 1.00 0.00 H new ATOM 0 HA ARG A 17 5.039 9.434 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.557 10.255 5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.775 8.519 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.683 9.126 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.294 9.123 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.135 11.520 4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.172 11.634 6.001 1.00 0.00 H new ATOM 0 HE ARG A 17 9.791 10.436 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.991 13.451 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.150 14.393 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.276 11.653 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.001 13.380 7.949 1.00 0.00 H new ATOM 235 N GLY A 18 7.409 10.867 1.797 1.00 0.00 N ATOM 236 CA GLY A 18 7.951 12.097 1.248 1.00 0.00 C ATOM 237 C GLY A 18 6.873 13.015 0.707 1.00 0.00 C ATOM 238 O GLY A 18 5.781 13.102 1.269 1.00 0.00 O ATOM 0 H GLY A 18 7.706 10.016 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.514 12.619 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.653 11.857 0.450 1.00 0.00 H new ATOM 242 N LYS A 19 7.180 13.704 -0.387 1.00 0.00 N ATOM 243 CA LYS A 19 6.230 14.621 -1.005 1.00 0.00 C ATOM 244 C LYS A 19 5.891 14.178 -2.425 1.00 0.00 C ATOM 245 O LYS A 19 6.757 14.146 -3.298 1.00 0.00 O ATOM 246 CB LYS A 19 6.800 16.041 -1.025 1.00 0.00 C ATOM 247 CG LYS A 19 8.231 16.115 -1.529 1.00 0.00 C ATOM 248 CD LYS A 19 9.228 15.819 -0.421 1.00 0.00 C ATOM 249 CE LYS A 19 10.497 15.184 -0.969 1.00 0.00 C ATOM 250 NZ LYS A 19 11.495 16.208 -1.385 1.00 0.00 N ATOM 0 H LYS A 19 8.080 13.645 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 19 5.315 14.611 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.169 16.668 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.757 16.455 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.368 15.403 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.423 17.107 -1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.478 16.742 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.773 15.152 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.936 14.536 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.248 14.552 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.345 15.735 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.086 16.810 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.752 16.795 -0.566 1.00 0.00 H new ATOM 264 N ASN A 20 4.626 13.838 -2.648 1.00 0.00 N ATOM 265 CA ASN A 20 4.173 13.398 -3.962 1.00 0.00 C ATOM 266 C ASN A 20 2.854 14.069 -4.336 1.00 0.00 C ATOM 267 O ASN A 20 2.096 14.524 -3.480 1.00 0.00 O ATOM 268 CB ASN A 20 4.008 11.877 -3.985 1.00 0.00 C ATOM 269 CG ASN A 20 5.269 11.166 -4.437 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.346 10.672 -5.563 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.263 11.109 -3.560 1.00 0.00 N ATOM 0 H ASN A 20 3.896 13.859 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 20 4.928 13.686 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.735 11.529 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.187 11.613 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.135 10.642 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.155 11.532 -2.638 1.00 0.00 H new ATOM 278 N PRO A 21 2.573 14.132 -5.646 1.00 0.00 N ATOM 279 CA PRO A 21 1.346 14.744 -6.164 1.00 0.00 C ATOM 280 C PRO A 21 0.105 13.921 -5.837 1.00 0.00 C ATOM 281 O PRO A 21 -0.238 12.985 -6.558 1.00 0.00 O ATOM 282 CB PRO A 21 1.580 14.782 -7.676 1.00 0.00 C ATOM 283 CG PRO A 21 2.549 13.682 -7.938 1.00 0.00 C ATOM 284 CD PRO A 21 3.432 13.610 -6.723 1.00 0.00 C ATOM 0 HA PRO A 21 1.161 15.723 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.650 14.629 -8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.981 15.746 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.031 12.737 -8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.135 13.883 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.755 12.589 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.333 14.211 -6.845 1.00 0.00 H new ATOM 292 N GLY A 22 -0.565 14.277 -4.746 1.00 0.00 N ATOM 293 CA GLY A 22 -1.761 13.560 -4.343 1.00 0.00 C ATOM 294 C GLY A 22 -1.506 12.082 -4.126 1.00 0.00 C ATOM 295 O GLY A 22 -2.205 11.236 -4.685 1.00 0.00 O ATOM 0 H GLY A 22 -0.301 15.049 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.150 13.997 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.530 13.685 -5.106 1.00 0.00 H new ATOM 299 N ASP A 23 -0.503 11.769 -3.314 1.00 0.00 N ATOM 300 CA ASP A 23 -0.156 10.383 -3.025 1.00 0.00 C ATOM 301 C ASP A 23 -0.339 10.075 -1.542 1.00 0.00 C ATOM 302 O ASP A 23 -0.773 10.930 -0.768 1.00 0.00 O ATOM 303 CB ASP A 23 1.287 10.097 -3.443 1.00 0.00 C ATOM 304 CG ASP A 23 1.542 8.620 -3.669 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.871 7.918 -2.689 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.413 8.165 -4.825 1.00 0.00 O ATOM 0 H ASP A 23 0.085 12.457 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.825 9.741 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.513 10.646 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.965 10.466 -2.674 1.00 0.00 H new ATOM 311 N LEU A 24 -0.007 8.849 -1.152 1.00 0.00 N ATOM 312 CA LEU A 24 -0.135 8.428 0.239 1.00 0.00 C ATOM 313 C LEU A 24 1.232 8.341 0.910 1.00 0.00 C ATOM 314 O LEU A 24 2.163 7.742 0.371 1.00 0.00 O ATOM 315 CB LEU A 24 -0.842 7.073 0.319 1.00 0.00 C ATOM 316 CG LEU A 24 -1.581 6.778 1.624 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.763 5.855 1.371 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.634 6.167 2.646 1.00 0.00 C ATOM 0 H LEU A 24 0.353 8.129 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.731 9.174 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.556 7.009 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.102 6.289 0.159 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.960 7.718 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.277 5.656 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.453 6.330 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.407 4.916 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.177 5.963 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.225 5.236 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.180 6.863 2.850 1.00 0.00 H new ATOM 330 N LYS A 25 1.346 8.941 2.090 1.00 0.00 N ATOM 331 CA LYS A 25 2.597 8.929 2.837 1.00 0.00 C ATOM 332 C LYS A 25 2.608 7.800 3.862 1.00 0.00 C ATOM 333 O LYS A 25 1.708 7.695 4.695 1.00 0.00 O ATOM 334 CB LYS A 25 2.808 10.272 3.541 1.00 0.00 C ATOM 335 CG LYS A 25 3.263 11.382 2.609 1.00 0.00 C ATOM 336 CD LYS A 25 3.135 12.747 3.264 1.00 0.00 C ATOM 337 CE LYS A 25 1.708 13.269 3.192 1.00 0.00 C ATOM 338 NZ LYS A 25 0.896 12.824 4.359 1.00 0.00 N ATOM 0 H LYS A 25 0.586 9.442 2.550 1.00 0.00 H new ATOM 0 HA LYS A 25 3.411 8.764 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.876 10.571 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.548 10.146 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.300 11.212 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.668 11.358 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.448 12.682 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.806 13.452 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.721 14.358 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.240 12.922 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.272 13.599 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.320 12.002 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.528 12.560 5.142 1.00 0.00 H new ATOM 352 N PHE A 26 3.634 6.957 3.796 1.00 0.00 N ATOM 353 CA PHE A 26 3.762 5.835 4.719 1.00 0.00 C ATOM 354 C PHE A 26 5.223 5.603 5.093 1.00 0.00 C ATOM 355 O PHE A 26 6.131 6.099 4.428 1.00 0.00 O ATOM 356 CB PHE A 26 3.176 4.566 4.096 1.00 0.00 C ATOM 357 CG PHE A 26 3.642 4.317 2.691 1.00 0.00 C ATOM 358 CD1 PHE A 26 2.985 4.894 1.616 1.00 0.00 C ATOM 359 CD2 PHE A 26 4.738 3.506 2.444 1.00 0.00 C ATOM 360 CE1 PHE A 26 3.412 4.666 0.322 1.00 0.00 C ATOM 361 CE2 PHE A 26 5.170 3.274 1.151 1.00 0.00 C ATOM 362 CZ PHE A 26 4.507 3.856 0.089 1.00 0.00 C ATOM 0 H PHE A 26 4.388 7.030 3.113 1.00 0.00 H new ATOM 0 HA PHE A 26 3.207 6.077 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.443 3.710 4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.088 4.637 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.129 5.529 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.261 3.050 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.890 5.121 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.025 2.638 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.844 3.679 -0.922 1.00 0.00 H new ATOM 372 N ASN A 27 5.440 4.846 6.164 1.00 0.00 N ATOM 373 CA ASN A 27 6.790 4.549 6.629 1.00 0.00 C ATOM 374 C ASN A 27 7.129 3.078 6.411 1.00 0.00 C ATOM 375 O ASN A 27 6.362 2.190 6.785 1.00 0.00 O ATOM 376 CB ASN A 27 6.931 4.903 8.111 1.00 0.00 C ATOM 377 CG ASN A 27 6.505 6.328 8.408 1.00 0.00 C ATOM 378 OD1 ASN A 27 5.354 6.583 8.760 1.00 0.00 O ATOM 379 ND2 ASN A 27 7.436 7.264 8.268 1.00 0.00 N ATOM 0 H ASN A 27 4.699 4.427 6.726 1.00 0.00 H new ATOM 0 HA ASN A 27 7.488 5.154 6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.329 4.215 8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.968 4.765 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.209 8.241 8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.378 7.006 7.974 1.00 0.00 H new ATOM 386 N LYS A 28 8.284 2.826 5.805 1.00 0.00 N ATOM 387 CA LYS A 28 8.727 1.463 5.538 1.00 0.00 C ATOM 388 C LYS A 28 8.276 0.517 6.646 1.00 0.00 C ATOM 389 O LYS A 28 8.343 0.853 7.828 1.00 0.00 O ATOM 390 CB LYS A 28 10.251 1.417 5.404 1.00 0.00 C ATOM 391 CG LYS A 28 10.819 0.008 5.393 1.00 0.00 C ATOM 392 CD LYS A 28 12.338 0.019 5.430 1.00 0.00 C ATOM 393 CE LYS A 28 12.899 -1.373 5.678 1.00 0.00 C ATOM 394 NZ LYS A 28 14.294 -1.507 5.174 1.00 0.00 N ATOM 0 H LYS A 28 8.931 3.549 5.489 1.00 0.00 H new ATOM 0 HA LYS A 28 8.275 1.138 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.542 1.924 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.697 1.973 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.437 -0.546 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.480 -0.515 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.723 0.405 4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.679 0.695 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.877 -1.588 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.264 -2.113 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.640 -2.470 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.312 -1.326 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.905 -0.819 5.658 1.00 0.00 H new ATOM 408 N GLY A 29 7.816 -0.668 6.256 1.00 0.00 N ATOM 409 CA GLY A 29 7.361 -1.644 7.229 1.00 0.00 C ATOM 410 C GLY A 29 5.886 -1.501 7.549 1.00 0.00 C ATOM 411 O GLY A 29 5.265 -2.426 8.074 1.00 0.00 O ATOM 0 H GLY A 29 7.750 -0.969 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.551 -2.648 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.941 -1.536 8.146 1.00 0.00 H new ATOM 415 N ASP A 30 5.325 -0.339 7.233 1.00 0.00 N ATOM 416 CA ASP A 30 3.913 -0.078 7.491 1.00 0.00 C ATOM 417 C ASP A 30 3.032 -1.084 6.757 1.00 0.00 C ATOM 418 O ASP A 30 3.473 -1.739 5.813 1.00 0.00 O ATOM 419 CB ASP A 30 3.550 1.345 7.062 1.00 0.00 C ATOM 420 CG ASP A 30 3.645 1.540 5.562 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.776 1.697 5.054 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.590 1.535 4.895 1.00 0.00 O ATOM 0 H ASP A 30 5.825 0.436 6.798 1.00 0.00 H new ATOM 0 HA ASP A 30 3.738 -0.183 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.536 1.573 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.214 2.052 7.560 1.00 0.00 H new ATOM 427 N VAL A 31 1.783 -1.201 7.199 1.00 0.00 N ATOM 428 CA VAL A 31 0.839 -2.127 6.585 1.00 0.00 C ATOM 429 C VAL A 31 -0.398 -1.395 6.078 1.00 0.00 C ATOM 430 O VAL A 31 -1.297 -1.066 6.852 1.00 0.00 O ATOM 431 CB VAL A 31 0.404 -3.224 7.575 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.656 -4.118 6.950 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.605 -4.042 8.025 1.00 0.00 C ATOM 0 H VAL A 31 1.402 -0.666 7.980 1.00 0.00 H new ATOM 0 HA VAL A 31 1.353 -2.591 5.743 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.030 -2.745 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.951 -4.887 7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.526 -3.518 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.252 -4.590 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.279 -4.812 8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.071 -4.512 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.327 -3.389 8.515 1.00 0.00 H new ATOM 443 N ILE A 32 -0.437 -1.143 4.774 1.00 0.00 N ATOM 444 CA ILE A 32 -1.565 -0.451 4.163 1.00 0.00 C ATOM 445 C ILE A 32 -2.584 -1.442 3.611 1.00 0.00 C ATOM 446 O ILE A 32 -2.239 -2.342 2.844 1.00 0.00 O ATOM 447 CB ILE A 32 -1.106 0.482 3.028 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.039 1.378 3.506 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.271 1.324 2.530 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.995 1.777 2.404 1.00 0.00 C ATOM 0 H ILE A 32 0.300 -1.408 4.120 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.030 0.147 4.947 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.744 -0.128 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.379 2.278 3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.594 0.859 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.930 1.978 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.058 0.670 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.660 1.928 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.780 2.411 2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.441 0.883 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.453 2.325 1.633 1.00 0.00 H new ATOM 462 N LEU A 33 -3.842 -1.269 4.004 1.00 0.00 N ATOM 463 CA LEU A 33 -4.913 -2.147 3.546 1.00 0.00 C ATOM 464 C LEU A 33 -5.354 -1.778 2.133 1.00 0.00 C ATOM 465 O LEU A 33 -5.585 -0.607 1.830 1.00 0.00 O ATOM 466 CB LEU A 33 -6.105 -2.069 4.501 1.00 0.00 C ATOM 467 CG LEU A 33 -6.027 -2.953 5.747 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.317 -2.222 6.876 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.419 -3.387 6.181 1.00 0.00 C ATOM 0 H LEU A 33 -4.145 -0.530 4.638 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.532 -3.168 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.221 -1.034 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.006 -2.334 3.948 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.451 -3.845 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.271 -2.866 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.306 -1.963 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.865 -1.312 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.344 -4.015 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.020 -2.507 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.892 -3.951 5.377 1.00 0.00 H new ATOM 481 N LEU A 34 -5.470 -2.784 1.274 1.00 0.00 N ATOM 482 CA LEU A 34 -5.886 -2.566 -0.107 1.00 0.00 C ATOM 483 C LEU A 34 -7.392 -2.344 -0.194 1.00 0.00 C ATOM 484 O LEU A 34 -8.170 -3.024 0.475 1.00 0.00 O ATOM 485 CB LEU A 34 -5.484 -3.760 -0.976 1.00 0.00 C ATOM 486 CG LEU A 34 -3.996 -3.880 -1.305 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.734 -5.118 -2.149 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.506 -2.631 -2.023 1.00 0.00 C ATOM 0 H LEU A 34 -5.282 -3.759 1.509 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.384 -1.671 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.799 -4.673 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.039 -3.706 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.444 -3.978 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.670 -5.187 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.047 -6.006 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.297 -5.050 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.445 -2.734 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.064 -2.502 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.658 -1.761 -1.384 1.00 0.00 H new ATOM 500 N ARG A 35 -7.797 -1.388 -1.024 1.00 0.00 N ATOM 501 CA ARG A 35 -9.210 -1.076 -1.199 1.00 0.00 C ATOM 502 C ARG A 35 -9.612 -1.180 -2.668 1.00 0.00 C ATOM 503 O ARG A 35 -10.571 -1.872 -3.012 1.00 0.00 O ATOM 504 CB ARG A 35 -9.514 0.328 -0.675 1.00 0.00 C ATOM 505 CG ARG A 35 -10.983 0.707 -0.761 1.00 0.00 C ATOM 506 CD ARG A 35 -11.810 -0.029 0.282 1.00 0.00 C ATOM 507 NE ARG A 35 -11.427 0.338 1.642 1.00 0.00 N ATOM 508 CZ ARG A 35 -12.234 0.220 2.690 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.463 -0.253 2.535 1.00 0.00 N ATOM 510 NH2 ARG A 35 -11.813 0.576 3.897 1.00 0.00 N ATOM 0 H ARG A 35 -7.166 -0.816 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.789 -1.802 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.190 0.397 0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.927 1.052 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.091 1.782 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.362 0.476 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.866 0.194 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.688 -1.104 0.149 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.488 0.705 1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.791 -0.527 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.081 -0.343 3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.869 0.941 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.434 0.485 4.701 1.00 0.00 H new ATOM 524 N ARG A 36 -8.873 -0.488 -3.529 1.00 0.00 N ATOM 525 CA ARG A 36 -9.153 -0.501 -4.959 1.00 0.00 C ATOM 526 C ARG A 36 -7.858 -0.500 -5.767 1.00 0.00 C ATOM 527 O ARG A 36 -7.112 0.478 -5.758 1.00 0.00 O ATOM 528 CB ARG A 36 -10.008 0.708 -5.344 1.00 0.00 C ATOM 529 CG ARG A 36 -9.754 1.933 -4.481 1.00 0.00 C ATOM 530 CD ARG A 36 -10.899 2.929 -4.578 1.00 0.00 C ATOM 531 NE ARG A 36 -11.963 2.634 -3.623 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.867 3.525 -3.231 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.836 4.761 -3.710 1.00 0.00 N ATOM 534 NH2 ARG A 36 -13.806 3.181 -2.358 1.00 0.00 N ATOM 0 H ARG A 36 -8.076 0.089 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.703 -1.414 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.815 0.962 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.061 0.435 -5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.623 1.627 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.826 2.412 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.520 3.935 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.306 2.916 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.015 1.692 -3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.117 5.030 -4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.531 5.443 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.834 2.231 -1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.499 3.866 -2.058 1.00 0.00 H new ATOM 548 N GLN A 37 -7.600 -1.603 -6.463 1.00 0.00 N ATOM 549 CA GLN A 37 -6.395 -1.729 -7.274 1.00 0.00 C ATOM 550 C GLN A 37 -6.545 -0.974 -8.591 1.00 0.00 C ATOM 551 O GLN A 37 -7.116 -1.490 -9.553 1.00 0.00 O ATOM 552 CB GLN A 37 -6.091 -3.202 -7.548 1.00 0.00 C ATOM 553 CG GLN A 37 -5.058 -3.417 -8.642 1.00 0.00 C ATOM 554 CD GLN A 37 -4.778 -4.884 -8.901 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.585 -5.751 -8.563 1.00 0.00 O ATOM 556 NE2 GLN A 37 -3.630 -5.171 -9.504 1.00 0.00 N ATOM 0 H GLN A 37 -8.209 -2.421 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.565 -1.292 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.737 -3.668 -6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.015 -3.709 -7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.407 -2.950 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.130 -2.918 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.991 -4.421 -9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.388 -6.141 -9.704 1.00 0.00 H new ATOM 565 N LEU A 38 -6.029 0.249 -8.629 1.00 0.00 N ATOM 566 CA LEU A 38 -6.105 1.075 -9.829 1.00 0.00 C ATOM 567 C LEU A 38 -5.435 0.382 -11.011 1.00 0.00 C ATOM 568 O LEU A 38 -5.833 0.570 -12.160 1.00 0.00 O ATOM 569 CB LEU A 38 -5.447 2.433 -9.579 1.00 0.00 C ATOM 570 CG LEU A 38 -5.964 3.219 -8.373 1.00 0.00 C ATOM 571 CD1 LEU A 38 -4.885 4.146 -7.837 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.211 4.008 -8.746 1.00 0.00 C ATOM 0 H LEU A 38 -5.553 0.691 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.157 1.227 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.376 2.277 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.577 3.047 -10.470 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.228 2.511 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.272 4.697 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.020 3.558 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.589 4.849 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.565 4.561 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.973 4.707 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.989 3.322 -9.081 1.00 0.00 H new ATOM 584 N ASP A 39 -4.417 -0.421 -10.719 1.00 0.00 N ATOM 585 CA ASP A 39 -3.694 -1.145 -11.758 1.00 0.00 C ATOM 586 C ASP A 39 -2.663 -2.088 -11.145 1.00 0.00 C ATOM 587 O ASP A 39 -2.483 -2.118 -9.928 1.00 0.00 O ATOM 588 CB ASP A 39 -3.005 -0.164 -12.708 1.00 0.00 C ATOM 589 CG ASP A 39 -3.889 0.228 -13.876 1.00 0.00 C ATOM 590 OD1 ASP A 39 -4.654 -0.634 -14.356 1.00 0.00 O ATOM 591 OD2 ASP A 39 -3.814 1.397 -14.310 1.00 0.00 O ATOM 0 H ASP A 39 -4.074 -0.587 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.414 -1.739 -12.321 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.719 0.731 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.086 -0.613 -13.086 1.00 0.00 H new ATOM 596 N GLU A 40 -1.990 -2.855 -11.997 1.00 0.00 N ATOM 597 CA GLU A 40 -0.979 -3.800 -11.537 1.00 0.00 C ATOM 598 C GLU A 40 0.297 -3.073 -11.123 1.00 0.00 C ATOM 599 O GLU A 40 1.291 -3.700 -10.759 1.00 0.00 O ATOM 600 CB GLU A 40 -0.665 -4.819 -12.635 1.00 0.00 C ATOM 601 CG GLU A 40 -0.273 -4.185 -13.959 1.00 0.00 C ATOM 602 CD GLU A 40 0.048 -5.214 -15.026 1.00 0.00 C ATOM 603 OE1 GLU A 40 -0.873 -5.950 -15.437 1.00 0.00 O ATOM 604 OE2 GLU A 40 1.220 -5.281 -15.451 1.00 0.00 O ATOM 0 H GLU A 40 -2.126 -2.841 -13.008 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.377 -4.324 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.145 -5.466 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.537 -5.454 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.086 -3.548 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.594 -3.542 -13.807 1.00 0.00 H new ATOM 611 N ASN A 41 0.260 -1.746 -11.181 1.00 0.00 N ATOM 612 CA ASN A 41 1.413 -0.932 -10.814 1.00 0.00 C ATOM 613 C ASN A 41 1.098 -0.057 -9.604 1.00 0.00 C ATOM 614 O ASN A 41 1.961 0.191 -8.763 1.00 0.00 O ATOM 615 CB ASN A 41 1.843 -0.057 -11.993 1.00 0.00 C ATOM 616 CG ASN A 41 2.097 -0.865 -13.250 1.00 0.00 C ATOM 617 OD1 ASN A 41 1.026 -1.346 -13.871 1.00 0.00 O flip ATOM 618 ND2 ASN A 41 3.243 -1.054 -13.659 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.556 -1.211 -11.479 1.00 0.00 H new ATOM 0 HA ASN A 41 2.231 -1.603 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.070 0.686 -12.192 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.748 0.489 -11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.037 -0.665 -13.150 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.398 -1.599 -14.507 1.00 0.00 H new ATOM 625 N TRP A 42 -0.144 0.408 -9.525 1.00 0.00 N ATOM 626 CA TRP A 42 -0.574 1.255 -8.419 1.00 0.00 C ATOM 627 C TRP A 42 -1.643 0.559 -7.583 1.00 0.00 C ATOM 628 O TRP A 42 -2.444 -0.216 -8.105 1.00 0.00 O ATOM 629 CB TRP A 42 -1.109 2.587 -8.947 1.00 0.00 C ATOM 630 CG TRP A 42 -0.045 3.463 -9.537 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.652 3.242 -10.690 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.443 4.697 -9.000 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.545 4.265 -10.903 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.436 5.170 -9.881 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.138 5.449 -7.863 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.123 6.360 -9.657 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.821 6.630 -7.642 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.804 7.077 -8.536 1.00 0.00 C ATOM 0 H TRP A 42 -0.871 0.213 -10.214 1.00 0.00 H new ATOM 0 HA TRP A 42 0.291 1.445 -7.783 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.869 2.391 -9.704 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.600 3.121 -8.133 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.521 2.389 -11.339 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.185 4.338 -11.694 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.618 5.113 -7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.881 6.705 -10.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.594 7.219 -6.766 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.319 8.005 -8.336 1.00 0.00 H new ATOM 649 N TYR A 43 -1.649 0.840 -6.285 1.00 0.00 N ATOM 650 CA TYR A 43 -2.619 0.239 -5.378 1.00 0.00 C ATOM 651 C TYR A 43 -3.210 1.287 -4.440 1.00 0.00 C ATOM 652 O TYR A 43 -2.493 2.134 -3.907 1.00 0.00 O ATOM 653 CB TYR A 43 -1.963 -0.878 -4.564 1.00 0.00 C ATOM 654 CG TYR A 43 -1.466 -2.030 -5.407 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.278 -2.610 -6.374 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.184 -2.539 -5.237 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.828 -3.663 -7.146 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.274 -3.592 -6.005 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.552 -4.151 -6.958 1.00 0.00 C ATOM 660 OH TYR A 43 -0.100 -5.199 -7.726 1.00 0.00 O ATOM 0 H TYR A 43 -0.993 1.480 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.426 -0.183 -5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.127 -0.463 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.681 -1.255 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.278 -2.231 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.465 -2.104 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.472 -4.102 -7.893 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.273 -3.975 -5.860 1.00 0.00 H new ATOM 0 HH TYR A 43 0.819 -5.421 -7.468 1.00 0.00 H new ATOM 670 N GLN A 44 -4.523 1.222 -4.244 1.00 0.00 N ATOM 671 CA GLN A 44 -5.212 2.165 -3.370 1.00 0.00 C ATOM 672 C GLN A 44 -5.416 1.571 -1.981 1.00 0.00 C ATOM 673 O GLN A 44 -6.025 0.513 -1.831 1.00 0.00 O ATOM 674 CB GLN A 44 -6.561 2.559 -3.973 1.00 0.00 C ATOM 675 CG GLN A 44 -7.052 3.926 -3.526 1.00 0.00 C ATOM 676 CD GLN A 44 -7.910 4.610 -4.572 1.00 0.00 C ATOM 677 OE1 GLN A 44 -7.945 4.194 -5.731 1.00 0.00 O ATOM 678 NE2 GLN A 44 -8.608 5.665 -4.169 1.00 0.00 N ATOM 0 H GLN A 44 -5.131 0.527 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.590 3.055 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.480 2.549 -5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.304 1.809 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.625 3.818 -2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.194 4.558 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.549 5.975 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.203 6.165 -4.829 1.00 0.00 H new ATOM 687 N GLY A 45 -4.902 2.260 -0.966 1.00 0.00 N ATOM 688 CA GLY A 45 -5.039 1.785 0.398 1.00 0.00 C ATOM 689 C GLY A 45 -5.292 2.910 1.382 1.00 0.00 C ATOM 690 O GLY A 45 -5.517 4.052 0.983 1.00 0.00 O ATOM 0 H GLY A 45 -4.393 3.139 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.860 1.070 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.133 1.251 0.686 1.00 0.00 H new ATOM 694 N GLU A 46 -5.256 2.586 2.671 1.00 0.00 N ATOM 695 CA GLU A 46 -5.486 3.579 3.713 1.00 0.00 C ATOM 696 C GLU A 46 -4.581 3.325 4.916 1.00 0.00 C ATOM 697 O GLU A 46 -4.654 2.271 5.548 1.00 0.00 O ATOM 698 CB GLU A 46 -6.952 3.561 4.151 1.00 0.00 C ATOM 699 CG GLU A 46 -7.210 4.317 5.444 1.00 0.00 C ATOM 700 CD GLU A 46 -8.674 4.662 5.635 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.532 3.824 5.289 1.00 0.00 O ATOM 702 OE2 GLU A 46 -8.962 5.772 6.132 1.00 0.00 O ATOM 0 H GLU A 46 -5.070 1.645 3.018 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.249 4.561 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.564 3.993 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.273 2.527 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.869 3.715 6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.621 5.234 5.448 1.00 0.00 H new ATOM 709 N ILE A 47 -3.731 4.297 5.225 1.00 0.00 N ATOM 710 CA ILE A 47 -2.813 4.180 6.351 1.00 0.00 C ATOM 711 C ILE A 47 -3.090 5.250 7.401 1.00 0.00 C ATOM 712 O ILE A 47 -3.095 6.443 7.099 1.00 0.00 O ATOM 713 CB ILE A 47 -1.346 4.291 5.896 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.417 3.656 6.933 1.00 0.00 C ATOM 715 CG2 ILE A 47 -0.972 5.747 5.664 1.00 0.00 C ATOM 716 CD1 ILE A 47 -0.155 2.186 6.690 1.00 0.00 C ATOM 0 H ILE A 47 -3.659 5.175 4.711 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.976 3.195 6.788 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.232 3.752 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.533 4.191 6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.853 3.780 7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.068 5.809 5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.616 6.170 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.100 6.307 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.511 1.802 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.097 1.639 6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.310 2.056 5.713 1.00 0.00 H new ATOM 728 N ASN A 48 -3.319 4.815 8.636 1.00 0.00 N ATOM 729 CA ASN A 48 -3.596 5.737 9.732 1.00 0.00 C ATOM 730 C ASN A 48 -4.813 6.602 9.420 1.00 0.00 C ATOM 731 O ASN A 48 -4.814 7.806 9.674 1.00 0.00 O ATOM 732 CB ASN A 48 -2.379 6.625 9.999 1.00 0.00 C ATOM 733 CG ASN A 48 -1.276 5.889 10.734 1.00 0.00 C ATOM 734 OD1 ASN A 48 -1.534 4.936 11.470 1.00 0.00 O ATOM 735 ND2 ASN A 48 -0.039 6.328 10.536 1.00 0.00 N ATOM 0 H ASN A 48 -3.318 3.831 8.903 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.810 5.148 10.624 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.992 7.001 9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.686 7.492 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.745 5.872 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.128 7.121 9.917 1.00 0.00 H new ATOM 742 N GLY A 49 -5.850 5.979 8.868 1.00 0.00 N ATOM 743 CA GLY A 49 -7.060 6.708 8.531 1.00 0.00 C ATOM 744 C GLY A 49 -6.834 7.729 7.434 1.00 0.00 C ATOM 745 O GLY A 49 -7.539 8.736 7.360 1.00 0.00 O ATOM 0 H GLY A 49 -5.874 4.983 8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.829 6.003 8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.437 7.212 9.421 1.00 0.00 H new ATOM 749 N VAL A 50 -5.848 7.472 6.581 1.00 0.00 N ATOM 750 CA VAL A 50 -5.531 8.378 5.483 1.00 0.00 C ATOM 751 C VAL A 50 -5.673 7.679 4.136 1.00 0.00 C ATOM 752 O VAL A 50 -5.023 6.664 3.880 1.00 0.00 O ATOM 753 CB VAL A 50 -4.102 8.937 5.612 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.773 9.839 4.432 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.939 9.685 6.926 1.00 0.00 C ATOM 0 H VAL A 50 -5.255 6.644 6.629 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.242 9.203 5.537 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.402 8.101 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.759 10.225 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.847 9.268 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.477 10.671 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.923 10.073 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.647 10.513 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.130 9.006 7.757 1.00 0.00 H new ATOM 765 N SER A 51 -6.525 8.228 3.277 1.00 0.00 N ATOM 766 CA SER A 51 -6.754 7.655 1.956 1.00 0.00 C ATOM 767 C SER A 51 -5.747 8.198 0.946 1.00 0.00 C ATOM 768 O SER A 51 -5.511 9.403 0.874 1.00 0.00 O ATOM 769 CB SER A 51 -8.178 7.958 1.486 1.00 0.00 C ATOM 770 OG SER A 51 -8.376 9.352 1.323 1.00 0.00 O ATOM 0 H SER A 51 -7.068 9.069 3.472 1.00 0.00 H new ATOM 0 HA SER A 51 -6.624 6.575 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.369 7.448 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.894 7.568 2.210 1.00 0.00 H new ATOM 0 HG SER A 51 -9.293 9.519 1.021 1.00 0.00 H new ATOM 776 N GLY A 52 -5.156 7.297 0.167 1.00 0.00 N ATOM 777 CA GLY A 52 -4.181 7.703 -0.829 1.00 0.00 C ATOM 778 C GLY A 52 -3.775 6.562 -1.741 1.00 0.00 C ATOM 779 O GLY A 52 -4.179 5.418 -1.532 1.00 0.00 O ATOM 0 H GLY A 52 -5.335 6.294 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.595 8.514 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.296 8.096 -0.328 1.00 0.00 H new ATOM 783 N ILE A 53 -2.977 6.875 -2.757 1.00 0.00 N ATOM 784 CA ILE A 53 -2.518 5.867 -3.704 1.00 0.00 C ATOM 785 C ILE A 53 -0.997 5.758 -3.697 1.00 0.00 C ATOM 786 O ILE A 53 -0.295 6.739 -3.453 1.00 0.00 O ATOM 787 CB ILE A 53 -2.991 6.183 -5.135 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.487 7.561 -5.570 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.509 6.119 -5.218 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.960 7.970 -6.948 1.00 0.00 C ATOM 0 H ILE A 53 -2.636 7.818 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.950 4.917 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.577 5.435 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.818 8.305 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.397 7.562 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.828 6.345 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.846 5.119 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.942 6.847 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.565 8.956 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.607 7.247 -7.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.049 8.002 -6.964 1.00 0.00 H new ATOM 802 N PHE A 54 -0.494 4.558 -3.966 1.00 0.00 N ATOM 803 CA PHE A 54 0.945 4.320 -3.992 1.00 0.00 C ATOM 804 C PHE A 54 1.303 3.263 -5.032 1.00 0.00 C ATOM 805 O PHE A 54 0.481 2.432 -5.418 1.00 0.00 O ATOM 806 CB PHE A 54 1.434 3.879 -2.611 1.00 0.00 C ATOM 807 CG PHE A 54 0.537 2.872 -1.950 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.554 3.282 -1.200 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.783 1.514 -2.079 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.380 2.358 -0.591 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.040 0.585 -1.472 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.124 1.007 -0.728 1.00 0.00 C ATOM 0 H PHE A 54 -1.061 3.735 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 54 1.438 5.253 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.434 3.455 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.519 4.755 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.761 4.336 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.628 1.178 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.226 2.691 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.164 -0.470 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.770 0.283 -0.254 1.00 0.00 H new ATOM 822 N PRO A 55 2.560 3.295 -5.498 1.00 0.00 N ATOM 823 CA PRO A 55 3.057 2.347 -6.500 1.00 0.00 C ATOM 824 C PRO A 55 3.195 0.934 -5.944 1.00 0.00 C ATOM 825 O PRO A 55 2.972 0.700 -4.756 1.00 0.00 O ATOM 826 CB PRO A 55 4.430 2.912 -6.872 1.00 0.00 C ATOM 827 CG PRO A 55 4.854 3.695 -5.678 1.00 0.00 C ATOM 828 CD PRO A 55 3.594 4.258 -5.083 1.00 0.00 C ATOM 0 HA PRO A 55 2.376 2.254 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.139 2.115 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.371 3.543 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.375 3.061 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.543 4.492 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.661 4.333 -3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.385 5.259 -5.459 1.00 0.00 H new ATOM 836 N ALA A 56 3.565 -0.004 -6.809 1.00 0.00 N ATOM 837 CA ALA A 56 3.735 -1.393 -6.403 1.00 0.00 C ATOM 838 C ALA A 56 5.210 -1.736 -6.223 1.00 0.00 C ATOM 839 O ALA A 56 5.552 -2.807 -5.721 1.00 0.00 O ATOM 840 CB ALA A 56 3.096 -2.324 -7.423 1.00 0.00 C ATOM 0 H ALA A 56 3.753 0.173 -7.796 1.00 0.00 H new ATOM 0 HA ALA A 56 3.237 -1.528 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.231 -3.358 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.031 -2.104 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.568 -2.178 -8.395 1.00 0.00 H new ATOM 846 N SER A 57 6.080 -0.821 -6.637 1.00 0.00 N ATOM 847 CA SER A 57 7.519 -1.028 -6.526 1.00 0.00 C ATOM 848 C SER A 57 8.033 -0.558 -5.168 1.00 0.00 C ATOM 849 O SER A 57 9.125 -0.932 -4.742 1.00 0.00 O ATOM 850 CB SER A 57 8.251 -0.286 -7.646 1.00 0.00 C ATOM 851 OG SER A 57 9.642 -0.557 -7.613 1.00 0.00 O ATOM 0 H SER A 57 5.813 0.072 -7.053 1.00 0.00 H new ATOM 0 HA SER A 57 7.715 -2.096 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.842 -0.584 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.084 0.786 -7.546 1.00 0.00 H new ATOM 0 HG SER A 57 10.087 -0.073 -8.339 1.00 0.00 H new ATOM 857 N SER A 58 7.237 0.266 -4.495 1.00 0.00 N ATOM 858 CA SER A 58 7.611 0.792 -3.187 1.00 0.00 C ATOM 859 C SER A 58 7.002 -0.049 -2.069 1.00 0.00 C ATOM 860 O SER A 58 7.276 0.174 -0.890 1.00 0.00 O ATOM 861 CB SER A 58 7.158 2.247 -3.050 1.00 0.00 C ATOM 862 OG SER A 58 7.864 3.087 -3.948 1.00 0.00 O ATOM 0 H SER A 58 6.329 0.584 -4.834 1.00 0.00 H new ATOM 0 HA SER A 58 8.697 0.747 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.088 2.318 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.319 2.587 -2.027 1.00 0.00 H new ATOM 0 HG SER A 58 7.928 3.989 -3.570 1.00 0.00 H new ATOM 868 N VAL A 59 6.175 -1.017 -2.449 1.00 0.00 N ATOM 869 CA VAL A 59 5.527 -1.893 -1.480 1.00 0.00 C ATOM 870 C VAL A 59 5.529 -3.340 -1.960 1.00 0.00 C ATOM 871 O VAL A 59 5.838 -3.619 -3.118 1.00 0.00 O ATOM 872 CB VAL A 59 4.076 -1.455 -1.209 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.048 -0.134 -0.456 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.299 -1.352 -2.513 1.00 0.00 C ATOM 0 H VAL A 59 5.938 -1.215 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 59 6.099 -1.819 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 59 3.597 -2.210 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.014 0.159 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.566 -0.247 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.543 0.634 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.275 -1.041 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.775 -0.618 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.289 -2.323 -3.008 1.00 0.00 H new ATOM 884 N GLU A 60 5.180 -4.256 -1.062 1.00 0.00 N ATOM 885 CA GLU A 60 5.142 -5.675 -1.395 1.00 0.00 C ATOM 886 C GLU A 60 3.885 -6.333 -0.831 1.00 0.00 C ATOM 887 O GLU A 60 3.329 -5.879 0.169 1.00 0.00 O ATOM 888 CB GLU A 60 6.387 -6.383 -0.855 1.00 0.00 C ATOM 889 CG GLU A 60 7.570 -6.342 -1.807 1.00 0.00 C ATOM 890 CD GLU A 60 7.435 -7.330 -2.949 1.00 0.00 C ATOM 891 OE1 GLU A 60 6.306 -7.804 -3.194 1.00 0.00 O ATOM 892 OE2 GLU A 60 8.459 -7.630 -3.598 1.00 0.00 O ATOM 0 H GLU A 60 4.920 -4.041 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 60 5.124 -5.766 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.675 -5.923 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.139 -7.423 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.670 -5.335 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.484 -6.555 -1.253 1.00 0.00 H new ATOM 899 N VAL A 61 3.443 -7.405 -1.481 1.00 0.00 N ATOM 900 CA VAL A 61 2.253 -8.126 -1.045 1.00 0.00 C ATOM 901 C VAL A 61 2.609 -9.222 -0.047 1.00 0.00 C ATOM 902 O VAL A 61 1.796 -10.100 0.242 1.00 0.00 O ATOM 903 CB VAL A 61 1.509 -8.755 -2.238 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.165 -9.313 -1.796 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.331 -7.734 -3.352 1.00 0.00 C ATOM 0 H VAL A 61 3.891 -7.793 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 61 1.601 -7.398 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 61 2.108 -9.580 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.346 -9.753 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.321 -10.077 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.445 -8.509 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.804 -8.195 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.753 -6.887 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.308 -7.387 -3.687 1.00 0.00 H new ATOM 915 N ILE A 62 3.830 -9.165 0.476 1.00 0.00 N ATOM 916 CA ILE A 62 4.293 -10.152 1.443 1.00 0.00 C ATOM 917 C ILE A 62 3.593 -9.977 2.786 1.00 0.00 C ATOM 918 O ILE A 62 3.427 -10.935 3.541 1.00 0.00 O ATOM 919 CB ILE A 62 5.816 -10.061 1.655 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.192 -8.693 2.226 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.549 -10.314 0.346 1.00 0.00 C ATOM 922 CD1 ILE A 62 7.660 -8.563 2.566 1.00 0.00 C ATOM 0 H ILE A 62 4.516 -8.446 0.246 1.00 0.00 H new ATOM 0 HA ILE A 62 4.049 -11.132 1.034 1.00 0.00 H new ATOM 0 HB ILE A 62 6.115 -10.827 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.925 -7.921 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.602 -8.508 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.624 -10.246 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.301 -11.309 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.248 -9.568 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.854 -7.568 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.929 -9.312 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.257 -8.716 1.667 1.00 0.00 H new ATOM 934 N SER A 63 3.182 -8.747 3.077 1.00 0.00 N ATOM 935 CA SER A 63 2.500 -8.445 4.330 1.00 0.00 C ATOM 936 C SER A 63 1.480 -9.528 4.669 1.00 0.00 C ATOM 937 O SER A 63 0.454 -9.660 4.003 1.00 0.00 O ATOM 938 CB SER A 63 1.806 -7.085 4.243 1.00 0.00 C ATOM 939 OG SER A 63 1.315 -6.681 5.509 1.00 0.00 O ATOM 0 H SER A 63 3.309 -7.943 2.462 1.00 0.00 H new ATOM 0 HA SER A 63 3.248 -8.413 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.506 -6.339 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.983 -7.138 3.530 1.00 0.00 H new ATOM 0 HG SER A 63 0.336 -6.715 5.506 1.00 0.00 H new ATOM 945 N GLY A 64 1.772 -10.302 5.710 1.00 0.00 N ATOM 946 CA GLY A 64 0.871 -11.364 6.120 1.00 0.00 C ATOM 947 C GLY A 64 1.606 -12.550 6.713 1.00 0.00 C ATOM 948 O GLY A 64 2.836 -12.600 6.731 1.00 0.00 O ATOM 0 H GLY A 64 2.616 -10.213 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.165 -10.974 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.288 -11.694 5.260 1.00 0.00 H new ATOM 952 N PRO A 65 0.843 -13.533 7.214 1.00 0.00 N ATOM 953 CA PRO A 65 1.408 -14.742 7.821 1.00 0.00 C ATOM 954 C PRO A 65 2.074 -15.650 6.793 1.00 0.00 C ATOM 955 O PRO A 65 3.098 -16.274 7.073 1.00 0.00 O ATOM 956 CB PRO A 65 0.188 -15.434 8.434 1.00 0.00 C ATOM 957 CG PRO A 65 -0.968 -14.949 7.628 1.00 0.00 C ATOM 958 CD PRO A 65 -0.630 -13.541 7.225 1.00 0.00 C ATOM 0 HA PRO A 65 2.191 -14.508 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.280 -16.519 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.073 -15.175 9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.125 -15.579 6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.889 -14.978 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.040 -13.294 6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.030 -12.814 7.931 1.00 0.00 H new ATOM 966 N SER A 66 1.488 -15.718 5.602 1.00 0.00 N ATOM 967 CA SER A 66 2.024 -16.553 4.533 1.00 0.00 C ATOM 968 C SER A 66 1.838 -15.882 3.175 1.00 0.00 C ATOM 969 O SER A 66 1.026 -14.969 3.028 1.00 0.00 O ATOM 970 CB SER A 66 1.341 -17.922 4.535 1.00 0.00 C ATOM 971 OG SER A 66 1.769 -18.703 5.638 1.00 0.00 O ATOM 0 H SER A 66 0.642 -15.205 5.353 1.00 0.00 H new ATOM 0 HA SER A 66 3.091 -16.687 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.259 -17.792 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.565 -18.445 3.606 1.00 0.00 H new ATOM 0 HG SER A 66 1.317 -19.572 5.618 1.00 0.00 H new ATOM 977 N SER A 67 2.598 -16.342 2.186 1.00 0.00 N ATOM 978 CA SER A 67 2.521 -15.785 0.841 1.00 0.00 C ATOM 979 C SER A 67 2.307 -16.887 -0.192 1.00 0.00 C ATOM 980 O SER A 67 3.055 -17.863 -0.239 1.00 0.00 O ATOM 981 CB SER A 67 3.796 -15.006 0.515 1.00 0.00 C ATOM 982 OG SER A 67 3.820 -13.760 1.192 1.00 0.00 O ATOM 0 H SER A 67 3.274 -17.099 2.291 1.00 0.00 H new ATOM 0 HA SER A 67 1.669 -15.106 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.668 -15.595 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.860 -14.840 -0.560 1.00 0.00 H new ATOM 0 HG SER A 67 4.646 -13.282 0.968 1.00 0.00 H new ATOM 988 N GLY A 68 1.279 -16.724 -1.019 1.00 0.00 N ATOM 989 CA GLY A 68 0.984 -17.711 -2.041 1.00 0.00 C ATOM 990 C GLY A 68 1.055 -17.136 -3.441 1.00 0.00 C ATOM 991 O GLY A 68 0.472 -17.686 -4.375 1.00 0.00 O ATOM 0 H GLY A 68 0.645 -15.925 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.688 -18.539 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.012 -18.120 -1.870 1.00 0.00 H new TER 995 GLY A 68