USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 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 Set 1.1: A 14 CYS SG : rot -77:sc= 0.871 USER MOD Set 1.2: A 15 ASN : amide:sc= 0.137 K(o=1,f=-6.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.458 USER MOD Single : A 3 SER OG : rot 40:sc= 0.742 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+ -169:sc= -1.54 (180deg=-1.66) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= 0.124 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.036) USER MOD Single : A 43 TYR OH : rot 97:sc= 0.154 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -0.742 K(o=-0.74,f=0) 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 116:sc= -0.378 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00395 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 -20.742 -11.651 -2.568 1.00 0.00 N ATOM 2 CA GLY A 1 -20.773 -12.917 -1.859 1.00 0.00 C ATOM 3 C GLY A 1 -19.709 -13.005 -0.784 1.00 0.00 C ATOM 4 O GLY A 1 -19.603 -12.124 0.069 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.488 -11.640 -3.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.900 -10.873 -1.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.815 -11.531 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.755 -13.052 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.635 -13.732 -2.570 1.00 0.00 H new ATOM 8 N SER A 2 -18.918 -14.073 -0.822 1.00 0.00 N ATOM 9 CA SER A 2 -17.860 -14.277 0.160 1.00 0.00 C ATOM 10 C SER A 2 -16.929 -13.070 0.214 1.00 0.00 C ATOM 11 O SER A 2 -16.287 -12.723 -0.778 1.00 0.00 O ATOM 12 CB SER A 2 -17.061 -15.538 -0.174 1.00 0.00 C ATOM 13 OG SER A 2 -16.489 -15.452 -1.467 1.00 0.00 O ATOM 0 H SER A 2 -18.990 -14.811 -1.523 1.00 0.00 H new ATOM 0 HA SER A 2 -18.325 -14.399 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.274 -15.680 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.712 -16.410 -0.118 1.00 0.00 H new ATOM 0 HG SER A 2 -16.212 -14.528 -1.641 1.00 0.00 H new ATOM 19 N SER A 3 -16.861 -12.434 1.379 1.00 0.00 N ATOM 20 CA SER A 3 -16.011 -11.263 1.562 1.00 0.00 C ATOM 21 C SER A 3 -15.131 -11.419 2.798 1.00 0.00 C ATOM 22 O SER A 3 -15.610 -11.348 3.929 1.00 0.00 O ATOM 23 CB SER A 3 -16.866 -10.001 1.687 1.00 0.00 C ATOM 24 OG SER A 3 -17.759 -10.096 2.783 1.00 0.00 O ATOM 0 H SER A 3 -17.384 -12.710 2.210 1.00 0.00 H new ATOM 0 HA SER A 3 -15.367 -11.172 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.221 -9.132 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.430 -9.847 0.767 1.00 0.00 H new ATOM 0 HG SER A 3 -17.306 -10.526 3.538 1.00 0.00 H new ATOM 30 N GLY A 4 -13.837 -11.631 2.573 1.00 0.00 N ATOM 31 CA GLY A 4 -12.909 -11.794 3.677 1.00 0.00 C ATOM 32 C GLY A 4 -13.091 -10.736 4.748 1.00 0.00 C ATOM 33 O GLY A 4 -13.771 -9.734 4.531 1.00 0.00 O ATOM 0 H GLY A 4 -13.416 -11.693 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.045 -12.781 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.888 -11.752 3.299 1.00 0.00 H new ATOM 37 N SER A 5 -12.483 -10.961 5.908 1.00 0.00 N ATOM 38 CA SER A 5 -12.585 -10.022 7.019 1.00 0.00 C ATOM 39 C SER A 5 -11.770 -8.762 6.742 1.00 0.00 C ATOM 40 O SER A 5 -12.259 -7.644 6.908 1.00 0.00 O ATOM 41 CB SER A 5 -12.106 -10.678 8.315 1.00 0.00 C ATOM 42 OG SER A 5 -12.929 -11.777 8.665 1.00 0.00 O ATOM 0 H SER A 5 -11.915 -11.785 6.103 1.00 0.00 H new ATOM 0 HA SER A 5 -13.632 -9.740 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.076 -11.014 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.111 -9.944 9.121 1.00 0.00 H new ATOM 0 HG SER A 5 -12.601 -12.180 9.496 1.00 0.00 H new ATOM 48 N SER A 6 -10.524 -8.951 6.320 1.00 0.00 N ATOM 49 CA SER A 6 -9.639 -7.831 6.023 1.00 0.00 C ATOM 50 C SER A 6 -9.221 -7.843 4.556 1.00 0.00 C ATOM 51 O SER A 6 -9.278 -6.821 3.874 1.00 0.00 O ATOM 52 CB SER A 6 -8.400 -7.882 6.919 1.00 0.00 C ATOM 53 OG SER A 6 -8.700 -7.434 8.229 1.00 0.00 O ATOM 0 H SER A 6 -10.104 -9.870 6.176 1.00 0.00 H new ATOM 0 HA SER A 6 -10.183 -6.907 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.018 -8.902 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.612 -7.263 6.491 1.00 0.00 H new ATOM 0 HG SER A 6 -7.893 -7.478 8.783 1.00 0.00 H new ATOM 59 N GLY A 7 -8.799 -9.010 4.076 1.00 0.00 N ATOM 60 CA GLY A 7 -8.377 -9.134 2.694 1.00 0.00 C ATOM 61 C GLY A 7 -6.870 -9.072 2.540 1.00 0.00 C ATOM 62 O GLY A 7 -6.117 -9.339 3.476 1.00 0.00 O ATOM 0 H GLY A 7 -8.742 -9.871 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.742 -10.078 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.832 -8.338 2.105 1.00 0.00 H new ATOM 66 N PRO A 8 -6.409 -8.712 1.333 1.00 0.00 N ATOM 67 CA PRO A 8 -4.979 -8.608 1.030 1.00 0.00 C ATOM 68 C PRO A 8 -4.320 -7.431 1.741 1.00 0.00 C ATOM 69 O PRO A 8 -4.988 -6.466 2.114 1.00 0.00 O ATOM 70 CB PRO A 8 -4.951 -8.402 -0.486 1.00 0.00 C ATOM 71 CG PRO A 8 -6.271 -7.792 -0.810 1.00 0.00 C ATOM 72 CD PRO A 8 -7.249 -8.379 0.170 1.00 0.00 C ATOM 0 HA PRO A 8 -4.427 -9.486 1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.130 -7.749 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.812 -9.347 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.232 -6.706 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.564 -8.017 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.032 -7.667 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.743 -9.262 -0.235 1.00 0.00 H new ATOM 80 N ARG A 9 -3.007 -7.516 1.924 1.00 0.00 N ATOM 81 CA ARG A 9 -2.258 -6.457 2.591 1.00 0.00 C ATOM 82 C ARG A 9 -0.869 -6.304 1.979 1.00 0.00 C ATOM 83 O ARG A 9 -0.314 -7.256 1.429 1.00 0.00 O ATOM 84 CB ARG A 9 -2.138 -6.752 4.087 1.00 0.00 C ATOM 85 CG ARG A 9 -3.474 -7.004 4.767 1.00 0.00 C ATOM 86 CD ARG A 9 -3.291 -7.400 6.224 1.00 0.00 C ATOM 87 NE ARG A 9 -4.445 -8.131 6.741 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.591 -8.466 8.019 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.660 -8.137 8.904 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.669 -9.131 8.413 1.00 0.00 N ATOM 0 H ARG A 9 -2.439 -8.307 1.620 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.801 -5.522 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.499 -7.624 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.644 -5.912 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.089 -6.106 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.009 -7.793 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.397 -8.016 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.129 -6.505 6.825 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.179 -8.399 6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.830 -7.626 8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.774 -8.395 9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.387 -9.386 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.780 -9.387 9.394 1.00 0.00 H new ATOM 104 N ALA A 10 -0.313 -5.101 2.077 1.00 0.00 N ATOM 105 CA ALA A 10 1.011 -4.825 1.534 1.00 0.00 C ATOM 106 C ALA A 10 1.934 -4.252 2.604 1.00 0.00 C ATOM 107 O ALA A 10 1.476 -3.664 3.584 1.00 0.00 O ATOM 108 CB ALA A 10 0.909 -3.868 0.355 1.00 0.00 C ATOM 0 H ALA A 10 -0.759 -4.302 2.527 1.00 0.00 H new ATOM 0 HA ALA A 10 1.438 -5.766 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.905 -3.671 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.291 -4.315 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.457 -2.932 0.684 1.00 0.00 H new ATOM 114 N LYS A 11 3.237 -4.427 2.411 1.00 0.00 N ATOM 115 CA LYS A 11 4.226 -3.928 3.359 1.00 0.00 C ATOM 116 C LYS A 11 5.154 -2.916 2.694 1.00 0.00 C ATOM 117 O LYS A 11 5.654 -3.148 1.594 1.00 0.00 O ATOM 118 CB LYS A 11 5.044 -5.087 3.932 1.00 0.00 C ATOM 119 CG LYS A 11 6.256 -4.639 4.730 1.00 0.00 C ATOM 120 CD LYS A 11 6.613 -5.644 5.813 1.00 0.00 C ATOM 121 CE LYS A 11 7.580 -6.699 5.297 1.00 0.00 C ATOM 122 NZ LYS A 11 6.876 -7.780 4.553 1.00 0.00 N ATOM 0 H LYS A 11 3.633 -4.911 1.605 1.00 0.00 H new ATOM 0 HA LYS A 11 3.696 -3.430 4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.402 -5.693 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.374 -5.727 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.106 -4.507 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.055 -3.669 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.059 -5.124 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.706 -6.127 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.316 -6.229 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.127 -7.131 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.533 -8.567 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.069 -8.120 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.533 -7.409 3.644 1.00 0.00 H new ATOM 136 N ALA A 12 5.381 -1.795 3.370 1.00 0.00 N ATOM 137 CA ALA A 12 6.252 -0.750 2.847 1.00 0.00 C ATOM 138 C ALA A 12 7.718 -1.161 2.937 1.00 0.00 C ATOM 139 O ALA A 12 8.150 -1.742 3.934 1.00 0.00 O ATOM 140 CB ALA A 12 6.021 0.554 3.595 1.00 0.00 C ATOM 0 H ALA A 12 4.974 -1.587 4.282 1.00 0.00 H new ATOM 0 HA ALA A 12 6.007 -0.601 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.678 1.325 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.983 0.864 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.236 0.409 4.654 1.00 0.00 H new ATOM 146 N LEU A 13 8.478 -0.857 1.891 1.00 0.00 N ATOM 147 CA LEU A 13 9.897 -1.196 1.852 1.00 0.00 C ATOM 148 C LEU A 13 10.753 -0.003 2.265 1.00 0.00 C ATOM 149 O LEU A 13 11.814 -0.167 2.867 1.00 0.00 O ATOM 150 CB LEU A 13 10.292 -1.661 0.449 1.00 0.00 C ATOM 151 CG LEU A 13 9.714 -3.003 -0.001 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.153 -3.324 -1.421 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.135 -4.111 0.953 1.00 0.00 C ATOM 0 H LEU A 13 8.136 -0.377 1.059 1.00 0.00 H new ATOM 0 HA LEU A 13 10.072 -2.007 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.984 -0.898 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.379 -1.722 0.401 1.00 0.00 H new ATOM 0 HG LEU A 13 8.626 -2.932 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.732 -4.283 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.801 -2.544 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.241 -3.376 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.715 -5.059 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.223 -4.182 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.770 -3.887 1.955 1.00 0.00 H new ATOM 165 N CYS A 14 10.283 1.196 1.939 1.00 0.00 N ATOM 166 CA CYS A 14 11.005 2.418 2.277 1.00 0.00 C ATOM 167 C CYS A 14 10.049 3.492 2.784 1.00 0.00 C ATOM 168 O CYS A 14 8.833 3.305 2.781 1.00 0.00 O ATOM 169 CB CYS A 14 11.773 2.935 1.059 1.00 0.00 C ATOM 170 SG CYS A 14 13.278 3.848 1.469 1.00 0.00 S ATOM 0 H CYS A 14 9.406 1.348 1.441 1.00 0.00 H new ATOM 0 HA CYS A 14 11.713 2.184 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.036 2.090 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.116 3.581 0.476 1.00 0.00 H new ATOM 0 HG CYS A 14 12.964 5.041 1.880 1.00 0.00 H new ATOM 176 N ASN A 15 10.607 4.616 3.222 1.00 0.00 N ATOM 177 CA ASN A 15 9.804 5.719 3.735 1.00 0.00 C ATOM 178 C ASN A 15 9.088 6.445 2.599 1.00 0.00 C ATOM 179 O ASN A 15 9.709 7.178 1.828 1.00 0.00 O ATOM 180 CB ASN A 15 10.685 6.702 4.508 1.00 0.00 C ATOM 181 CG ASN A 15 11.905 7.132 3.717 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.173 6.608 2.635 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.651 8.090 4.254 1.00 0.00 N ATOM 0 H ASN A 15 11.613 4.787 3.232 1.00 0.00 H new ATOM 0 HA ASN A 15 9.053 5.307 4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.098 7.582 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.005 6.241 5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.484 8.420 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.391 8.496 5.153 1.00 0.00 H new ATOM 190 N TYR A 16 7.780 6.237 2.503 1.00 0.00 N ATOM 191 CA TYR A 16 6.980 6.870 1.462 1.00 0.00 C ATOM 192 C TYR A 16 6.136 8.004 2.036 1.00 0.00 C ATOM 193 O TYR A 16 5.271 8.555 1.355 1.00 0.00 O ATOM 194 CB TYR A 16 6.075 5.837 0.787 1.00 0.00 C ATOM 195 CG TYR A 16 5.809 6.128 -0.673 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.694 5.707 -1.658 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.672 6.821 -1.068 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.456 5.971 -2.993 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.424 7.088 -2.400 1.00 0.00 C ATOM 200 CZ TYR A 16 5.319 6.662 -3.359 1.00 0.00 C ATOM 201 OH TYR A 16 5.077 6.925 -4.688 1.00 0.00 O ATOM 0 H TYR A 16 7.251 5.635 3.134 1.00 0.00 H new ATOM 0 HA TYR A 16 7.660 7.288 0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.533 4.852 0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.125 5.795 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.584 5.164 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.969 7.157 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.156 5.639 -3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.534 7.627 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 16 4.235 7.418 -4.776 1.00 0.00 H new ATOM 211 N ARG A 17 6.396 8.347 3.293 1.00 0.00 N ATOM 212 CA ARG A 17 5.661 9.415 3.961 1.00 0.00 C ATOM 213 C ARG A 17 6.223 10.782 3.581 1.00 0.00 C ATOM 214 O ARG A 17 6.196 11.718 4.378 1.00 0.00 O ATOM 215 CB ARG A 17 5.718 9.231 5.478 1.00 0.00 C ATOM 216 CG ARG A 17 4.451 9.671 6.194 1.00 0.00 C ATOM 217 CD ARG A 17 4.270 11.179 6.130 1.00 0.00 C ATOM 218 NE ARG A 17 5.417 11.892 6.686 1.00 0.00 N ATOM 219 CZ ARG A 17 5.704 11.924 7.982 1.00 0.00 C ATOM 220 NH1 ARG A 17 4.932 11.285 8.852 1.00 0.00 N ATOM 221 NH2 ARG A 17 6.765 12.595 8.412 1.00 0.00 N ATOM 0 H ARG A 17 7.110 7.901 3.870 1.00 0.00 H new ATOM 0 HA ARG A 17 4.622 9.366 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.905 8.181 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.563 9.796 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.588 9.180 5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.491 9.352 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.122 11.483 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.369 11.460 6.676 1.00 0.00 H new ATOM 0 HE ARG A 17 6.031 12.393 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.116 10.768 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.155 11.311 9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.361 13.087 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.984 12.619 9.408 1.00 0.00 H new ATOM 235 N GLY A 18 6.734 10.887 2.358 1.00 0.00 N ATOM 236 CA GLY A 18 7.296 12.142 1.895 1.00 0.00 C ATOM 237 C GLY A 18 6.256 13.044 1.259 1.00 0.00 C ATOM 238 O GLY A 18 5.086 13.019 1.639 1.00 0.00 O ATOM 0 H GLY A 18 6.769 10.126 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.758 12.661 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.086 11.938 1.172 1.00 0.00 H new ATOM 242 N LYS A 19 6.684 13.844 0.288 1.00 0.00 N ATOM 243 CA LYS A 19 5.782 14.759 -0.402 1.00 0.00 C ATOM 244 C LYS A 19 5.563 14.320 -1.847 1.00 0.00 C ATOM 245 O LYS A 19 6.453 14.450 -2.686 1.00 0.00 O ATOM 246 CB LYS A 19 6.344 16.182 -0.370 1.00 0.00 C ATOM 247 CG LYS A 19 5.877 16.993 0.826 1.00 0.00 C ATOM 248 CD LYS A 19 6.847 16.879 1.990 1.00 0.00 C ATOM 249 CE LYS A 19 6.484 15.721 2.907 1.00 0.00 C ATOM 250 NZ LYS A 19 6.867 15.991 4.320 1.00 0.00 N ATOM 0 H LYS A 19 7.650 13.877 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 19 4.822 14.742 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.433 16.134 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.054 16.699 -1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.773 18.039 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.891 16.648 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.859 16.740 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.846 17.809 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.411 15.536 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.983 14.815 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.603 15.178 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.894 16.143 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.372 16.841 4.658 1.00 0.00 H new ATOM 264 N ASN A 20 4.373 13.801 -2.129 1.00 0.00 N ATOM 265 CA ASN A 20 4.037 13.344 -3.472 1.00 0.00 C ATOM 266 C ASN A 20 2.672 13.874 -3.902 1.00 0.00 C ATOM 267 O ASN A 20 1.776 14.087 -3.085 1.00 0.00 O ATOM 268 CB ASN A 20 4.044 11.815 -3.530 1.00 0.00 C ATOM 269 CG ASN A 20 5.402 11.256 -3.906 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.979 11.631 -4.928 1.00 0.00 O ATOM 271 ND2 ASN A 20 5.921 10.355 -3.081 1.00 0.00 N ATOM 0 H ASN A 20 3.625 13.686 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 20 4.790 13.731 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.746 11.416 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.303 11.478 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.833 9.944 -3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.408 10.073 -2.245 1.00 0.00 H new ATOM 278 N PRO A 21 2.510 14.092 -5.215 1.00 0.00 N ATOM 279 CA PRO A 21 1.257 14.599 -5.784 1.00 0.00 C ATOM 280 C PRO A 21 0.132 13.572 -5.716 1.00 0.00 C ATOM 281 O PRO A 21 0.233 12.487 -6.286 1.00 0.00 O ATOM 282 CB PRO A 21 1.623 14.895 -7.241 1.00 0.00 C ATOM 283 CG PRO A 21 2.770 13.990 -7.534 1.00 0.00 C ATOM 284 CD PRO A 21 3.535 13.861 -6.246 1.00 0.00 C ATOM 0 HA PRO A 21 0.884 15.466 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.783 14.699 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.899 15.941 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.421 13.017 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.400 14.401 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.990 12.876 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.341 14.592 -6.182 1.00 0.00 H new ATOM 292 N GLY A 22 -0.942 13.923 -5.014 1.00 0.00 N ATOM 293 CA GLY A 22 -2.071 13.021 -4.884 1.00 0.00 C ATOM 294 C GLY A 22 -1.642 11.588 -4.638 1.00 0.00 C ATOM 295 O GLY A 22 -2.096 10.671 -5.322 1.00 0.00 O ATOM 0 H GLY A 22 -1.050 14.816 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.705 13.353 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.674 13.066 -5.791 1.00 0.00 H new ATOM 299 N ASP A 23 -0.765 11.395 -3.659 1.00 0.00 N ATOM 300 CA ASP A 23 -0.274 10.063 -3.324 1.00 0.00 C ATOM 301 C ASP A 23 -0.555 9.733 -1.861 1.00 0.00 C ATOM 302 O ASP A 23 -1.105 10.551 -1.123 1.00 0.00 O ATOM 303 CB ASP A 23 1.226 9.964 -3.603 1.00 0.00 C ATOM 304 CG ASP A 23 1.530 9.781 -5.077 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.446 8.633 -5.562 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.850 10.785 -5.746 1.00 0.00 O ATOM 0 H ASP A 23 -0.379 12.144 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.800 9.341 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.720 10.866 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.642 9.127 -3.042 1.00 0.00 H new ATOM 311 N LEU A 24 -0.176 8.528 -1.449 1.00 0.00 N ATOM 312 CA LEU A 24 -0.387 8.088 -0.074 1.00 0.00 C ATOM 313 C LEU A 24 0.924 8.088 0.705 1.00 0.00 C ATOM 314 O LEU A 24 1.889 7.429 0.318 1.00 0.00 O ATOM 315 CB LEU A 24 -1.006 6.690 -0.055 1.00 0.00 C ATOM 316 CG LEU A 24 -1.643 6.256 1.265 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.756 5.249 1.016 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.592 5.672 2.198 1.00 0.00 C ATOM 0 H LEU A 24 0.279 7.838 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.072 8.788 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.765 6.640 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.232 5.968 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.076 7.135 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.197 4.952 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.522 5.702 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.347 4.371 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.064 5.368 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.129 4.805 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.170 6.424 2.403 1.00 0.00 H new ATOM 330 N LYS A 25 0.951 8.829 1.808 1.00 0.00 N ATOM 331 CA LYS A 25 2.142 8.912 2.645 1.00 0.00 C ATOM 332 C LYS A 25 2.156 7.795 3.684 1.00 0.00 C ATOM 333 O LYS A 25 1.221 7.656 4.473 1.00 0.00 O ATOM 334 CB LYS A 25 2.206 10.272 3.343 1.00 0.00 C ATOM 335 CG LYS A 25 2.643 11.404 2.429 1.00 0.00 C ATOM 336 CD LYS A 25 1.509 11.861 1.527 1.00 0.00 C ATOM 337 CE LYS A 25 1.874 13.131 0.773 1.00 0.00 C ATOM 338 NZ LYS A 25 0.736 13.639 -0.042 1.00 0.00 N ATOM 0 H LYS A 25 0.161 9.381 2.143 1.00 0.00 H new ATOM 0 HA LYS A 25 3.015 8.798 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.224 10.507 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.897 10.208 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.992 12.244 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.485 11.076 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.267 11.071 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.615 12.036 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.183 13.898 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.727 12.935 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.052 13.793 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.036 12.942 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.397 14.537 0.358 1.00 0.00 H new ATOM 352 N PHE A 26 3.222 7.002 3.680 1.00 0.00 N ATOM 353 CA PHE A 26 3.357 5.897 4.622 1.00 0.00 C ATOM 354 C PHE A 26 4.809 5.733 5.063 1.00 0.00 C ATOM 355 O PHE A 26 5.718 6.312 4.469 1.00 0.00 O ATOM 356 CB PHE A 26 2.853 4.597 3.993 1.00 0.00 C ATOM 357 CG PHE A 26 3.275 4.421 2.562 1.00 0.00 C ATOM 358 CD1 PHE A 26 2.642 5.121 1.548 1.00 0.00 C ATOM 359 CD2 PHE A 26 4.306 3.555 2.231 1.00 0.00 C ATOM 360 CE1 PHE A 26 3.028 4.960 0.230 1.00 0.00 C ATOM 361 CE2 PHE A 26 4.696 3.390 0.916 1.00 0.00 C ATOM 362 CZ PHE A 26 4.057 4.094 -0.086 1.00 0.00 C ATOM 0 H PHE A 26 4.005 7.104 3.035 1.00 0.00 H new ATOM 0 HA PHE A 26 2.752 6.125 5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.220 3.754 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.765 4.574 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.838 5.800 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.810 3.003 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.526 5.511 -0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.500 2.711 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.361 3.968 -1.115 1.00 0.00 H new ATOM 372 N ASN A 27 5.018 4.940 6.108 1.00 0.00 N ATOM 373 CA ASN A 27 6.358 4.700 6.630 1.00 0.00 C ATOM 374 C ASN A 27 6.848 3.305 6.250 1.00 0.00 C ATOM 375 O ASN A 27 6.070 2.462 5.805 1.00 0.00 O ATOM 376 CB ASN A 27 6.372 4.860 8.152 1.00 0.00 C ATOM 377 CG ASN A 27 5.797 6.191 8.598 1.00 0.00 C ATOM 378 OD1 ASN A 27 6.022 7.221 7.963 1.00 0.00 O ATOM 379 ND2 ASN A 27 5.051 6.174 9.696 1.00 0.00 N ATOM 0 H ASN A 27 4.276 4.452 6.610 1.00 0.00 H new ATOM 0 HA ASN A 27 7.030 5.436 6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.800 4.050 8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.396 4.770 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.638 7.039 10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.891 5.296 10.190 1.00 0.00 H new ATOM 386 N LYS A 28 8.143 3.070 6.430 1.00 0.00 N ATOM 387 CA LYS A 28 8.738 1.778 6.109 1.00 0.00 C ATOM 388 C LYS A 28 8.252 0.700 7.073 1.00 0.00 C ATOM 389 O LYS A 28 8.352 0.851 8.289 1.00 0.00 O ATOM 390 CB LYS A 28 10.265 1.871 6.159 1.00 0.00 C ATOM 391 CG LYS A 28 10.964 0.555 5.861 1.00 0.00 C ATOM 392 CD LYS A 28 12.451 0.633 6.165 1.00 0.00 C ATOM 393 CE LYS A 28 13.074 -0.752 6.254 1.00 0.00 C ATOM 394 NZ LYS A 28 14.539 -0.719 5.988 1.00 0.00 N ATOM 0 H LYS A 28 8.801 3.758 6.797 1.00 0.00 H new ATOM 0 HA LYS A 28 8.429 1.504 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.599 2.621 5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.568 2.218 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.512 -0.241 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.819 0.294 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.953 1.210 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.604 1.163 7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.894 -1.168 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.590 -1.415 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.926 -1.682 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.710 -0.346 5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.005 -0.107 6.688 1.00 0.00 H new ATOM 408 N GLY A 29 7.725 -0.388 6.519 1.00 0.00 N ATOM 409 CA GLY A 29 7.233 -1.476 7.344 1.00 0.00 C ATOM 410 C GLY A 29 5.733 -1.410 7.554 1.00 0.00 C ATOM 411 O GLY A 29 5.068 -2.442 7.652 1.00 0.00 O ATOM 0 H GLY A 29 7.630 -0.535 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.490 -2.427 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.734 -1.450 8.312 1.00 0.00 H new ATOM 415 N ASP A 30 5.200 -0.196 7.626 1.00 0.00 N ATOM 416 CA ASP A 30 3.769 0.000 7.827 1.00 0.00 C ATOM 417 C ASP A 30 2.963 -0.783 6.796 1.00 0.00 C ATOM 418 O ASP A 30 3.188 -0.659 5.592 1.00 0.00 O ATOM 419 CB ASP A 30 3.419 1.487 7.744 1.00 0.00 C ATOM 420 CG ASP A 30 3.587 2.197 9.073 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.737 2.302 9.549 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.568 2.648 9.636 1.00 0.00 O ATOM 0 H ASP A 30 5.737 0.668 7.548 1.00 0.00 H new ATOM 0 HA ASP A 30 3.513 -0.371 8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.053 1.965 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.389 1.596 7.405 1.00 0.00 H new ATOM 427 N VAL A 31 2.024 -1.592 7.276 1.00 0.00 N ATOM 428 CA VAL A 31 1.184 -2.396 6.397 1.00 0.00 C ATOM 429 C VAL A 31 -0.066 -1.630 5.978 1.00 0.00 C ATOM 430 O VAL A 31 -0.828 -1.158 6.822 1.00 0.00 O ATOM 431 CB VAL A 31 0.763 -3.714 7.073 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.162 -4.510 6.164 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.987 -4.534 7.451 1.00 0.00 C ATOM 0 H VAL A 31 1.826 -1.708 8.270 1.00 0.00 H new ATOM 0 HA VAL A 31 1.780 -2.624 5.513 1.00 0.00 H new ATOM 0 HB VAL A 31 0.218 -3.475 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.449 -5.438 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.055 -3.923 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.354 -4.740 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.670 -5.462 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.562 -4.764 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.607 -3.964 8.143 1.00 0.00 H new ATOM 443 N ILE A 32 -0.270 -1.511 4.671 1.00 0.00 N ATOM 444 CA ILE A 32 -1.429 -0.803 4.141 1.00 0.00 C ATOM 445 C ILE A 32 -2.485 -1.780 3.634 1.00 0.00 C ATOM 446 O ILE A 32 -2.159 -2.827 3.072 1.00 0.00 O ATOM 447 CB ILE A 32 -1.033 0.147 2.995 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.147 1.025 3.417 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.220 1.006 2.585 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.031 1.444 2.264 1.00 0.00 C ATOM 0 H ILE A 32 0.352 -1.895 3.959 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.843 -0.217 4.961 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.728 -0.450 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.234 1.917 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.749 0.484 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.924 1.672 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.035 0.364 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.553 1.598 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.846 2.064 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.441 0.558 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.444 2.013 1.543 1.00 0.00 H new ATOM 462 N LEU A 33 -3.751 -1.430 3.834 1.00 0.00 N ATOM 463 CA LEU A 33 -4.856 -2.275 3.395 1.00 0.00 C ATOM 464 C LEU A 33 -5.321 -1.881 1.997 1.00 0.00 C ATOM 465 O LEU A 33 -5.620 -0.715 1.736 1.00 0.00 O ATOM 466 CB LEU A 33 -6.022 -2.175 4.380 1.00 0.00 C ATOM 467 CG LEU A 33 -5.776 -2.754 5.773 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.185 -1.698 6.694 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.068 -3.309 6.356 1.00 0.00 C ATOM 0 H LEU A 33 -4.038 -0.567 4.297 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.503 -3.306 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.291 -1.124 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.883 -2.682 3.945 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.060 -3.571 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.017 -2.129 7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.237 -1.348 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.877 -0.860 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.874 -3.717 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.806 -2.510 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.450 -4.097 5.708 1.00 0.00 H new ATOM 481 N LEU A 34 -5.381 -2.860 1.101 1.00 0.00 N ATOM 482 CA LEU A 34 -5.813 -2.617 -0.271 1.00 0.00 C ATOM 483 C LEU A 34 -7.307 -2.317 -0.327 1.00 0.00 C ATOM 484 O LEU A 34 -8.136 -3.203 -0.116 1.00 0.00 O ATOM 485 CB LEU A 34 -5.490 -3.826 -1.150 1.00 0.00 C ATOM 486 CG LEU A 34 -4.019 -4.008 -1.528 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.814 -5.327 -2.256 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.540 -2.844 -2.383 1.00 0.00 C ATOM 0 H LEU A 34 -5.136 -3.830 1.300 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.273 -1.748 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.826 -4.725 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.073 -3.749 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.428 -4.027 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.762 -5.439 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.117 -6.150 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.416 -5.339 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.491 -2.990 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.136 -2.793 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.649 -1.914 -1.825 1.00 0.00 H new ATOM 500 N ARG A 35 -7.644 -1.065 -0.615 1.00 0.00 N ATOM 501 CA ARG A 35 -9.039 -0.649 -0.700 1.00 0.00 C ATOM 502 C ARG A 35 -9.591 -0.882 -2.104 1.00 0.00 C ATOM 503 O ARG A 35 -10.723 -1.337 -2.268 1.00 0.00 O ATOM 504 CB ARG A 35 -9.177 0.828 -0.326 1.00 0.00 C ATOM 505 CG ARG A 35 -10.496 1.446 -0.759 1.00 0.00 C ATOM 506 CD ARG A 35 -11.682 0.699 -0.169 1.00 0.00 C ATOM 507 NE ARG A 35 -12.835 1.572 0.030 1.00 0.00 N ATOM 508 CZ ARG A 35 -14.013 1.145 0.472 1.00 0.00 C ATOM 509 NH1 ARG A 35 -14.192 -0.137 0.759 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.014 2.002 0.628 1.00 0.00 N ATOM 0 H ARG A 35 -6.970 -0.320 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.615 -1.251 0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.074 0.931 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.358 1.387 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.530 2.490 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.564 1.437 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.959 -0.122 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.394 0.256 0.784 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.731 2.564 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.424 -0.798 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.097 -0.462 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.879 2.989 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.918 1.674 0.967 1.00 0.00 H new ATOM 524 N ARG A 36 -8.784 -0.567 -3.111 1.00 0.00 N ATOM 525 CA ARG A 36 -9.192 -0.740 -4.500 1.00 0.00 C ATOM 526 C ARG A 36 -7.980 -0.741 -5.427 1.00 0.00 C ATOM 527 O ARG A 36 -7.323 0.284 -5.605 1.00 0.00 O ATOM 528 CB ARG A 36 -10.162 0.369 -4.912 1.00 0.00 C ATOM 529 CG ARG A 36 -10.429 0.421 -6.407 1.00 0.00 C ATOM 530 CD ARG A 36 -11.115 1.718 -6.806 1.00 0.00 C ATOM 531 NE ARG A 36 -12.570 1.612 -6.736 1.00 0.00 N ATOM 532 CZ ARG A 36 -13.393 2.627 -6.972 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.907 3.818 -7.293 1.00 0.00 N ATOM 534 NH2 ARG A 36 -14.706 2.451 -6.889 1.00 0.00 N ATOM 0 H ARG A 36 -7.844 -0.191 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.695 -1.703 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.107 0.227 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.760 1.330 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.488 0.324 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.052 -0.425 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.778 2.522 -6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.820 1.987 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.976 0.709 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.899 3.956 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.541 4.596 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.083 1.536 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.338 3.231 -7.070 1.00 0.00 H new ATOM 548 N GLN A 37 -7.691 -1.899 -6.013 1.00 0.00 N ATOM 549 CA GLN A 37 -6.557 -2.032 -6.920 1.00 0.00 C ATOM 550 C GLN A 37 -6.858 -1.384 -8.267 1.00 0.00 C ATOM 551 O GLN A 37 -7.721 -1.849 -9.013 1.00 0.00 O ATOM 552 CB GLN A 37 -6.207 -3.508 -7.119 1.00 0.00 C ATOM 553 CG GLN A 37 -5.125 -3.742 -8.161 1.00 0.00 C ATOM 554 CD GLN A 37 -4.757 -5.206 -8.301 1.00 0.00 C ATOM 555 OE1 GLN A 37 -4.753 -5.954 -7.323 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.446 -5.624 -9.523 1.00 0.00 N ATOM 0 H GLN A 37 -8.225 -2.757 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.705 -1.520 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.880 -3.927 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.106 -4.049 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.466 -3.363 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.236 -3.172 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.462 -4.970 -10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.191 -6.599 -9.679 1.00 0.00 H new ATOM 565 N LEU A 38 -6.143 -0.307 -8.573 1.00 0.00 N ATOM 566 CA LEU A 38 -6.333 0.406 -9.831 1.00 0.00 C ATOM 567 C LEU A 38 -5.524 -0.239 -10.951 1.00 0.00 C ATOM 568 O LEU A 38 -5.965 -0.289 -12.100 1.00 0.00 O ATOM 569 CB LEU A 38 -5.929 1.873 -9.674 1.00 0.00 C ATOM 570 CG LEU A 38 -6.662 2.659 -8.587 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.876 3.904 -8.205 1.00 0.00 C ATOM 572 CD2 LEU A 38 -8.062 3.033 -9.052 1.00 0.00 C ATOM 0 H LEU A 38 -5.426 0.092 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.389 0.352 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.860 1.914 -9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.087 2.377 -10.628 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.750 2.025 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.414 4.450 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.895 3.614 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.756 4.541 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.569 3.592 -8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.995 3.648 -9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.626 2.127 -9.274 1.00 0.00 H new ATOM 584 N ASP A 39 -4.340 -0.733 -10.609 1.00 0.00 N ATOM 585 CA ASP A 39 -3.470 -1.379 -11.585 1.00 0.00 C ATOM 586 C ASP A 39 -2.437 -2.262 -10.892 1.00 0.00 C ATOM 587 O ASP A 39 -2.378 -2.318 -9.665 1.00 0.00 O ATOM 588 CB ASP A 39 -2.766 -0.329 -12.447 1.00 0.00 C ATOM 589 CG ASP A 39 -3.646 0.183 -13.570 1.00 0.00 C ATOM 590 OD1 ASP A 39 -4.456 -0.608 -14.096 1.00 0.00 O ATOM 591 OD2 ASP A 39 -3.525 1.375 -13.923 1.00 0.00 O ATOM 0 H ASP A 39 -3.960 -0.699 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.088 -2.008 -12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.461 0.508 -11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.857 -0.759 -12.869 1.00 0.00 H new ATOM 596 N GLU A 40 -1.625 -2.951 -11.688 1.00 0.00 N ATOM 597 CA GLU A 40 -0.596 -3.833 -11.151 1.00 0.00 C ATOM 598 C GLU A 40 0.610 -3.031 -10.668 1.00 0.00 C ATOM 599 O GLU A 40 1.501 -3.566 -10.010 1.00 0.00 O ATOM 600 CB GLU A 40 -0.157 -4.847 -12.209 1.00 0.00 C ATOM 601 CG GLU A 40 1.285 -5.302 -12.056 1.00 0.00 C ATOM 602 CD GLU A 40 1.606 -6.519 -12.901 1.00 0.00 C ATOM 603 OE1 GLU A 40 1.902 -6.346 -14.102 1.00 0.00 O ATOM 604 OE2 GLU A 40 1.560 -7.644 -12.362 1.00 0.00 O ATOM 0 H GLU A 40 -1.660 -2.915 -12.707 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.020 -4.367 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.811 -5.718 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.287 -4.407 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.951 -4.485 -12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.481 -5.530 -11.008 1.00 0.00 H new ATOM 611 N ASN A 41 0.629 -1.744 -11.001 1.00 0.00 N ATOM 612 CA ASN A 41 1.725 -0.868 -10.603 1.00 0.00 C ATOM 613 C ASN A 41 1.288 0.077 -9.488 1.00 0.00 C ATOM 614 O ASN A 41 2.101 0.502 -8.667 1.00 0.00 O ATOM 615 CB ASN A 41 2.223 -0.063 -11.804 1.00 0.00 C ATOM 616 CG ASN A 41 2.310 -0.900 -13.066 1.00 0.00 C ATOM 617 OD1 ASN A 41 3.388 -1.352 -13.451 1.00 0.00 O ATOM 618 ND2 ASN A 41 1.171 -1.109 -13.716 1.00 0.00 N ATOM 0 H ASN A 41 -0.102 -1.285 -11.545 1.00 0.00 H new ATOM 0 HA ASN A 41 2.538 -1.490 -10.229 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.553 0.780 -11.976 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.205 0.351 -11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.167 -1.664 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.301 -0.714 -13.360 1.00 0.00 H new ATOM 625 N TRP A 42 0.000 0.402 -9.466 1.00 0.00 N ATOM 626 CA TRP A 42 -0.545 1.297 -8.452 1.00 0.00 C ATOM 627 C TRP A 42 -1.529 0.561 -7.549 1.00 0.00 C ATOM 628 O TRP A 42 -2.100 -0.458 -7.938 1.00 0.00 O ATOM 629 CB TRP A 42 -1.235 2.490 -9.113 1.00 0.00 C ATOM 630 CG TRP A 42 -0.276 3.475 -9.711 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.221 3.467 -10.983 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.304 4.610 -9.059 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.074 4.529 -11.161 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.142 5.246 -9.996 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.196 5.152 -7.775 1.00 0.00 C ATOM 636 CZ2 TRP A 42 1.866 6.394 -9.688 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.916 6.292 -7.471 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.741 6.904 -8.424 1.00 0.00 C ATOM 0 H TRP A 42 -0.686 0.059 -10.139 1.00 0.00 H new ATOM 0 HA TRP A 42 0.281 1.658 -7.840 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.905 2.127 -9.892 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.853 2.999 -8.373 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.021 2.734 -11.738 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.576 4.748 -12.022 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.438 4.688 -7.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.504 6.866 -10.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.841 6.719 -6.482 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.289 7.795 -8.156 1.00 0.00 H new ATOM 649 N TYR A 43 -1.723 1.083 -6.343 1.00 0.00 N ATOM 650 CA TYR A 43 -2.637 0.474 -5.384 1.00 0.00 C ATOM 651 C TYR A 43 -3.281 1.534 -4.496 1.00 0.00 C ATOM 652 O TYR A 43 -2.600 2.411 -3.966 1.00 0.00 O ATOM 653 CB TYR A 43 -1.897 -0.550 -4.522 1.00 0.00 C ATOM 654 CG TYR A 43 -1.339 -1.715 -5.308 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.149 -2.451 -6.164 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.003 -2.078 -5.196 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.643 -3.517 -6.884 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.511 -3.141 -5.913 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.313 -3.858 -6.755 1.00 0.00 C ATOM 660 OH TYR A 43 0.194 -4.917 -7.472 1.00 0.00 O ATOM 0 H TYR A 43 -1.259 1.927 -6.006 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.424 -0.033 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.081 -0.051 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.577 -0.930 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.191 -2.186 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.645 -1.520 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.286 -4.080 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.553 -3.409 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 43 0.623 -4.584 -8.288 1.00 0.00 H new ATOM 670 N GLN A 44 -4.598 1.444 -4.339 1.00 0.00 N ATOM 671 CA GLN A 44 -5.334 2.395 -3.515 1.00 0.00 C ATOM 672 C GLN A 44 -5.652 1.799 -2.147 1.00 0.00 C ATOM 673 O GLN A 44 -6.442 0.863 -2.036 1.00 0.00 O ATOM 674 CB GLN A 44 -6.628 2.814 -4.215 1.00 0.00 C ATOM 675 CG GLN A 44 -7.273 4.052 -3.613 1.00 0.00 C ATOM 676 CD GLN A 44 -8.463 4.539 -4.416 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.784 3.988 -5.469 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.125 5.579 -3.922 1.00 0.00 N ATOM 0 H GLN A 44 -5.176 0.723 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.706 3.274 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.418 3.000 -5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.338 1.988 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.592 3.832 -2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.532 4.849 -3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.824 6.005 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.934 5.951 -4.419 1.00 0.00 H new ATOM 687 N GLY A 45 -5.030 2.349 -1.109 1.00 0.00 N ATOM 688 CA GLY A 45 -5.259 1.858 0.238 1.00 0.00 C ATOM 689 C GLY A 45 -5.510 2.977 1.228 1.00 0.00 C ATOM 690 O GLY A 45 -5.711 4.127 0.837 1.00 0.00 O ATOM 0 H GLY A 45 -4.372 3.125 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.114 1.182 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.395 1.278 0.562 1.00 0.00 H new ATOM 694 N GLU A 46 -5.499 2.641 2.514 1.00 0.00 N ATOM 695 CA GLU A 46 -5.730 3.628 3.563 1.00 0.00 C ATOM 696 C GLU A 46 -4.934 3.284 4.818 1.00 0.00 C ATOM 697 O GLU A 46 -4.884 2.127 5.237 1.00 0.00 O ATOM 698 CB GLU A 46 -7.221 3.710 3.898 1.00 0.00 C ATOM 699 CG GLU A 46 -7.508 4.361 5.240 1.00 0.00 C ATOM 700 CD GLU A 46 -8.992 4.549 5.491 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.745 3.560 5.372 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.400 5.687 5.808 1.00 0.00 O ATOM 0 H GLU A 46 -5.333 1.694 2.855 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.394 4.597 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.730 4.272 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.642 2.704 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.083 3.748 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.010 5.330 5.284 1.00 0.00 H new ATOM 709 N ILE A 47 -4.313 4.297 5.414 1.00 0.00 N ATOM 710 CA ILE A 47 -3.519 4.102 6.621 1.00 0.00 C ATOM 711 C ILE A 47 -3.742 5.237 7.614 1.00 0.00 C ATOM 712 O ILE A 47 -3.553 6.408 7.286 1.00 0.00 O ATOM 713 CB ILE A 47 -2.016 4.005 6.297 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.239 3.521 7.523 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.488 5.352 5.826 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.135 2.981 7.192 1.00 0.00 C ATOM 0 H ILE A 47 -4.345 5.260 5.081 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.847 3.163 7.067 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.878 3.282 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.136 4.346 8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.815 2.744 8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.425 5.268 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.025 5.660 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.635 6.095 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.629 2.656 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.039 2.135 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.728 3.763 6.718 1.00 0.00 H new ATOM 728 N ASN A 48 -4.143 4.882 8.830 1.00 0.00 N ATOM 729 CA ASN A 48 -4.391 5.871 9.873 1.00 0.00 C ATOM 730 C ASN A 48 -5.346 6.954 9.380 1.00 0.00 C ATOM 731 O ASN A 48 -5.105 8.145 9.574 1.00 0.00 O ATOM 732 CB ASN A 48 -3.074 6.505 10.326 1.00 0.00 C ATOM 733 CG ASN A 48 -2.347 5.656 11.351 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.272 6.011 12.527 1.00 0.00 O ATOM 735 ND2 ASN A 48 -1.805 4.527 10.907 1.00 0.00 N ATOM 0 H ASN A 48 -4.303 3.917 9.118 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.853 5.362 10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.430 6.656 9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.274 7.489 10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.302 3.915 11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.892 4.272 9.923 1.00 0.00 H new ATOM 742 N GLY A 49 -6.433 6.531 8.741 1.00 0.00 N ATOM 743 CA GLY A 49 -7.408 7.476 8.230 1.00 0.00 C ATOM 744 C GLY A 49 -6.850 8.341 7.117 1.00 0.00 C ATOM 745 O GLY A 49 -7.245 9.497 6.962 1.00 0.00 O ATOM 0 H GLY A 49 -6.655 5.551 8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.278 6.932 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.752 8.114 9.044 1.00 0.00 H new ATOM 749 N VAL A 50 -5.927 7.782 6.341 1.00 0.00 N ATOM 750 CA VAL A 50 -5.313 8.509 5.237 1.00 0.00 C ATOM 751 C VAL A 50 -5.559 7.803 3.909 1.00 0.00 C ATOM 752 O VAL A 50 -5.023 6.723 3.660 1.00 0.00 O ATOM 753 CB VAL A 50 -3.796 8.672 5.447 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.188 9.505 4.329 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.510 9.296 6.804 1.00 0.00 C ATOM 0 H VAL A 50 -5.588 6.827 6.457 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.776 9.495 5.211 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.336 7.684 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.116 9.609 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.361 9.012 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.651 10.492 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.433 9.404 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.982 10.277 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.909 8.655 7.590 1.00 0.00 H new ATOM 765 N SER A 51 -6.372 8.420 3.058 1.00 0.00 N ATOM 766 CA SER A 51 -6.692 7.848 1.755 1.00 0.00 C ATOM 767 C SER A 51 -5.722 8.349 0.689 1.00 0.00 C ATOM 768 O SER A 51 -5.518 9.552 0.535 1.00 0.00 O ATOM 769 CB SER A 51 -8.128 8.199 1.359 1.00 0.00 C ATOM 770 OG SER A 51 -9.062 7.586 2.230 1.00 0.00 O ATOM 0 H SER A 51 -6.821 9.316 3.247 1.00 0.00 H new ATOM 0 HA SER A 51 -6.597 6.765 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.261 9.281 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.315 7.876 0.335 1.00 0.00 H new ATOM 0 HG SER A 51 -9.972 7.827 1.957 1.00 0.00 H new ATOM 776 N GLY A 52 -5.125 7.414 -0.044 1.00 0.00 N ATOM 777 CA GLY A 52 -4.183 7.778 -1.086 1.00 0.00 C ATOM 778 C GLY A 52 -3.814 6.604 -1.971 1.00 0.00 C ATOM 779 O GLY A 52 -4.355 5.509 -1.818 1.00 0.00 O ATOM 0 H GLY A 52 -5.277 6.411 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.613 8.570 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.280 8.183 -0.630 1.00 0.00 H new ATOM 783 N ILE A 53 -2.892 6.832 -2.901 1.00 0.00 N ATOM 784 CA ILE A 53 -2.453 5.784 -3.813 1.00 0.00 C ATOM 785 C ILE A 53 -0.934 5.651 -3.807 1.00 0.00 C ATOM 786 O ILE A 53 -0.213 6.641 -3.682 1.00 0.00 O ATOM 787 CB ILE A 53 -2.927 6.057 -5.253 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.518 7.465 -5.690 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.434 5.880 -5.357 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.660 7.702 -7.177 1.00 0.00 C ATOM 0 H ILE A 53 -2.435 7.733 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.898 4.853 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.450 5.338 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.126 8.194 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.482 7.640 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.754 6.076 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.700 4.859 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.930 6.578 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.352 8.720 -7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.030 6.997 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.700 7.560 -7.470 1.00 0.00 H new ATOM 802 N PHE A 54 -0.453 4.419 -3.943 1.00 0.00 N ATOM 803 CA PHE A 54 0.981 4.155 -3.954 1.00 0.00 C ATOM 804 C PHE A 54 1.351 3.207 -5.091 1.00 0.00 C ATOM 805 O PHE A 54 0.518 2.461 -5.607 1.00 0.00 O ATOM 806 CB PHE A 54 1.422 3.560 -2.615 1.00 0.00 C ATOM 807 CG PHE A 54 0.412 2.625 -2.014 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.704 3.117 -1.358 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.580 1.252 -2.104 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.634 2.258 -0.803 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.346 0.388 -1.552 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.455 0.892 -0.901 1.00 0.00 C ATOM 0 H PHE A 54 -1.036 3.588 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 54 1.498 5.102 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.362 3.026 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.618 4.371 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.849 4.184 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.445 0.853 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.500 2.655 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.203 -0.680 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.181 0.219 -0.469 1.00 0.00 H new ATOM 822 N PRO A 55 2.631 3.236 -5.492 1.00 0.00 N ATOM 823 CA PRO A 55 3.141 2.385 -6.571 1.00 0.00 C ATOM 824 C PRO A 55 3.196 0.914 -6.174 1.00 0.00 C ATOM 825 O PRO A 55 2.650 0.519 -5.144 1.00 0.00 O ATOM 826 CB PRO A 55 4.553 2.927 -6.812 1.00 0.00 C ATOM 827 CG PRO A 55 4.945 3.551 -5.517 1.00 0.00 C ATOM 828 CD PRO A 55 3.678 4.099 -4.921 1.00 0.00 C ATOM 0 HA PRO A 55 2.500 2.417 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.241 2.129 -7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.564 3.656 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.403 2.818 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.678 4.343 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.691 4.048 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.527 5.145 -5.189 1.00 0.00 H new ATOM 836 N ALA A 56 3.859 0.108 -6.996 1.00 0.00 N ATOM 837 CA ALA A 56 3.988 -1.319 -6.729 1.00 0.00 C ATOM 838 C ALA A 56 5.427 -1.686 -6.385 1.00 0.00 C ATOM 839 O ALA A 56 5.769 -2.864 -6.281 1.00 0.00 O ATOM 840 CB ALA A 56 3.506 -2.126 -7.926 1.00 0.00 C ATOM 0 H ALA A 56 4.316 0.419 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 56 3.364 -1.560 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.608 -3.190 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.459 -1.894 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.105 -1.872 -8.801 1.00 0.00 H new ATOM 846 N SER A 57 6.267 -0.670 -6.211 1.00 0.00 N ATOM 847 CA SER A 57 7.671 -0.887 -5.884 1.00 0.00 C ATOM 848 C SER A 57 7.964 -0.471 -4.445 1.00 0.00 C ATOM 849 O SER A 57 8.821 -1.054 -3.781 1.00 0.00 O ATOM 850 CB SER A 57 8.567 -0.104 -6.845 1.00 0.00 C ATOM 851 OG SER A 57 9.935 -0.400 -6.623 1.00 0.00 O ATOM 0 H SER A 57 5.999 0.311 -6.291 1.00 0.00 H new ATOM 0 HA SER A 57 7.882 -1.951 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.302 -0.347 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.397 0.965 -6.716 1.00 0.00 H new ATOM 0 HG SER A 57 10.487 0.112 -7.251 1.00 0.00 H new ATOM 857 N SER A 58 7.244 0.541 -3.970 1.00 0.00 N ATOM 858 CA SER A 58 7.429 1.038 -2.612 1.00 0.00 C ATOM 859 C SER A 58 6.847 0.063 -1.593 1.00 0.00 C ATOM 860 O SER A 58 7.310 -0.013 -0.455 1.00 0.00 O ATOM 861 CB SER A 58 6.771 2.411 -2.455 1.00 0.00 C ATOM 862 OG SER A 58 5.384 2.284 -2.194 1.00 0.00 O ATOM 0 H SER A 58 6.528 1.032 -4.505 1.00 0.00 H new ATOM 0 HA SER A 58 8.499 1.133 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.249 2.956 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.922 2.996 -3.362 1.00 0.00 H new ATOM 0 HG SER A 58 5.186 2.635 -1.301 1.00 0.00 H new ATOM 868 N VAL A 59 5.827 -0.681 -2.010 1.00 0.00 N ATOM 869 CA VAL A 59 5.181 -1.652 -1.136 1.00 0.00 C ATOM 870 C VAL A 59 5.063 -3.011 -1.816 1.00 0.00 C ATOM 871 O VAL A 59 4.883 -3.094 -3.031 1.00 0.00 O ATOM 872 CB VAL A 59 3.778 -1.179 -0.711 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.849 0.204 -0.083 1.00 0.00 C ATOM 874 CG2 VAL A 59 2.831 -1.186 -1.902 1.00 0.00 C ATOM 0 H VAL A 59 5.431 -0.629 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 59 5.808 -1.746 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 59 3.390 -1.871 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.849 0.522 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.493 0.172 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.257 0.911 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.844 -0.849 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.212 -0.517 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.758 -2.197 -2.303 1.00 0.00 H new ATOM 884 N GLU A 60 5.166 -4.075 -1.025 1.00 0.00 N ATOM 885 CA GLU A 60 5.071 -5.431 -1.552 1.00 0.00 C ATOM 886 C GLU A 60 3.757 -6.085 -1.136 1.00 0.00 C ATOM 887 O GLU A 60 3.259 -5.857 -0.034 1.00 0.00 O ATOM 888 CB GLU A 60 6.251 -6.275 -1.066 1.00 0.00 C ATOM 889 CG GLU A 60 7.463 -6.211 -1.980 1.00 0.00 C ATOM 890 CD GLU A 60 7.595 -4.873 -2.681 1.00 0.00 C ATOM 891 OE1 GLU A 60 7.671 -3.842 -1.982 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.623 -4.859 -3.930 1.00 0.00 O ATOM 0 H GLU A 60 5.315 -4.024 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 60 5.099 -5.374 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.540 -5.941 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.931 -7.313 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.364 -6.402 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.393 -7.003 -2.726 1.00 0.00 H new ATOM 899 N VAL A 61 3.200 -6.901 -2.026 1.00 0.00 N ATOM 900 CA VAL A 61 1.945 -7.590 -1.752 1.00 0.00 C ATOM 901 C VAL A 61 2.193 -8.953 -1.116 1.00 0.00 C ATOM 902 O VAL A 61 1.271 -9.754 -0.963 1.00 0.00 O ATOM 903 CB VAL A 61 1.116 -7.778 -3.037 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.320 -8.145 -2.696 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.165 -6.520 -3.891 1.00 0.00 C ATOM 0 H VAL A 61 3.599 -7.101 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 61 1.386 -6.964 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 61 1.549 -8.597 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.891 -8.274 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.333 -9.075 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.767 -7.349 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.574 -6.670 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.758 -5.681 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.198 -6.306 -4.165 1.00 0.00 H new ATOM 915 N ILE A 62 3.444 -9.209 -0.748 1.00 0.00 N ATOM 916 CA ILE A 62 3.814 -10.474 -0.127 1.00 0.00 C ATOM 917 C ILE A 62 3.311 -10.549 1.311 1.00 0.00 C ATOM 918 O ILE A 62 3.125 -11.635 1.859 1.00 0.00 O ATOM 919 CB ILE A 62 5.339 -10.682 -0.137 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.034 -9.559 0.635 1.00 0.00 C ATOM 921 CG2 ILE A 62 5.856 -10.748 -1.567 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.203 -9.853 2.109 1.00 0.00 C ATOM 0 H ILE A 62 4.218 -8.556 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 62 3.345 -11.263 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 62 5.565 -11.629 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.014 -9.379 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.459 -8.640 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.936 -10.895 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.381 -11.580 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.622 -9.816 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.703 -9.014 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.224 -10.004 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.804 -10.754 2.234 1.00 0.00 H new ATOM 934 N SER A 63 3.091 -9.386 1.916 1.00 0.00 N ATOM 935 CA SER A 63 2.612 -9.318 3.291 1.00 0.00 C ATOM 936 C SER A 63 1.398 -10.221 3.488 1.00 0.00 C ATOM 937 O SER A 63 0.670 -10.517 2.542 1.00 0.00 O ATOM 938 CB SER A 63 2.254 -7.877 3.659 1.00 0.00 C ATOM 939 OG SER A 63 1.707 -7.805 4.964 1.00 0.00 O ATOM 0 H SER A 63 3.237 -8.478 1.475 1.00 0.00 H new ATOM 0 HA SER A 63 3.412 -9.664 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.144 -7.251 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.538 -7.482 2.939 1.00 0.00 H new ATOM 0 HG SER A 63 1.488 -6.874 5.176 1.00 0.00 H new ATOM 945 N GLY A 64 1.188 -10.658 4.727 1.00 0.00 N ATOM 946 CA GLY A 64 0.062 -11.523 5.027 1.00 0.00 C ATOM 947 C GLY A 64 0.372 -12.516 6.129 1.00 0.00 C ATOM 948 O GLY A 64 1.445 -12.491 6.733 1.00 0.00 O ATOM 0 H GLY A 64 1.777 -10.428 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.792 -10.913 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.227 -12.064 4.126 1.00 0.00 H new ATOM 952 N PRO A 65 -0.584 -13.415 6.407 1.00 0.00 N ATOM 953 CA PRO A 65 -0.431 -14.437 7.447 1.00 0.00 C ATOM 954 C PRO A 65 0.595 -15.500 7.069 1.00 0.00 C ATOM 955 O PRO A 65 1.265 -16.065 7.933 1.00 0.00 O ATOM 956 CB PRO A 65 -1.828 -15.055 7.545 1.00 0.00 C ATOM 957 CG PRO A 65 -2.444 -14.814 6.210 1.00 0.00 C ATOM 958 CD PRO A 65 -1.887 -13.503 5.728 1.00 0.00 C ATOM 0 HA PRO A 65 -0.070 -14.013 8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.775 -16.120 7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.411 -14.590 8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.201 -15.620 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.531 -14.773 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.777 -13.488 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.536 -12.669 5.994 1.00 0.00 H new ATOM 966 N SER A 66 0.714 -15.767 5.772 1.00 0.00 N ATOM 967 CA SER A 66 1.657 -16.764 5.280 1.00 0.00 C ATOM 968 C SER A 66 2.930 -16.100 4.765 1.00 0.00 C ATOM 969 O SER A 66 3.019 -14.875 4.694 1.00 0.00 O ATOM 970 CB SER A 66 1.016 -17.597 4.168 1.00 0.00 C ATOM 971 OG SER A 66 1.646 -18.861 4.051 1.00 0.00 O ATOM 0 H SER A 66 0.169 -15.306 5.043 1.00 0.00 H new ATOM 0 HA SER A 66 1.921 -17.420 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.045 -17.734 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.088 -17.062 3.221 1.00 0.00 H new ATOM 0 HG SER A 66 1.217 -19.375 3.335 1.00 0.00 H new ATOM 977 N SER A 67 3.914 -16.920 4.407 1.00 0.00 N ATOM 978 CA SER A 67 5.184 -16.413 3.901 1.00 0.00 C ATOM 979 C SER A 67 5.390 -16.819 2.445 1.00 0.00 C ATOM 980 O SER A 67 5.183 -17.973 2.075 1.00 0.00 O ATOM 981 CB SER A 67 6.341 -16.934 4.756 1.00 0.00 C ATOM 982 OG SER A 67 7.588 -16.484 4.256 1.00 0.00 O ATOM 0 H SER A 67 3.856 -17.937 4.458 1.00 0.00 H new ATOM 0 HA SER A 67 5.161 -15.325 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.216 -16.599 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.324 -18.024 4.771 1.00 0.00 H new ATOM 0 HG SER A 67 8.311 -16.829 4.821 1.00 0.00 H new ATOM 988 N GLY A 68 5.801 -15.858 1.622 1.00 0.00 N ATOM 989 CA GLY A 68 6.028 -16.134 0.216 1.00 0.00 C ATOM 990 C GLY A 68 7.107 -17.175 -0.004 1.00 0.00 C ATOM 991 O GLY A 68 8.066 -17.257 0.764 1.00 0.00 O ATOM 0 H GLY A 68 5.980 -14.894 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.099 -16.477 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.309 -15.211 -0.291 1.00 0.00 H new TER 995 GLY A 68