USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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+ -102:sc= 0.0445 (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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.82 K(o=-1.8,f=-6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.0216 USER MOD Single : A 27 GLN : amide:sc= -0.098 X(o=-0.098,f=0) USER MOD Single : A 35 SER OG : rot 34:sc= 0.323 USER MOD Single : A 43 THR OG1 : rot -22:sc= 0.0621 USER MOD Single : A 44 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.67) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 139:sc= -1.47 USER MOD Single : A 58 LYS NZ :NH3+ 125:sc= -0.138 (180deg=-0.809) USER MOD Single : A 61 TYR OH : rot 26:sc= 0.0566 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 56:sc= 0.78 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.655 -9.039 1.420 1.00 0.00 N ATOM 2 CA GLY A 1 6.210 -9.378 0.122 1.00 0.00 C ATOM 3 C GLY A 1 5.463 -8.715 -1.018 1.00 0.00 C ATOM 4 O GLY A 1 4.301 -8.337 -0.872 1.00 0.00 O ATOM 0 H1 GLY A 1 6.251 -8.318 1.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.692 -8.665 1.299 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.624 -9.890 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.258 -9.079 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.183 -10.460 -0.010 1.00 0.00 H new ATOM 8 N SER A 2 6.133 -8.572 -2.158 1.00 0.00 N ATOM 9 CA SER A 2 5.527 -7.946 -3.327 1.00 0.00 C ATOM 10 C SER A 2 5.811 -8.757 -4.587 1.00 0.00 C ATOM 11 O SER A 2 4.922 -8.979 -5.410 1.00 0.00 O ATOM 12 CB SER A 2 6.052 -6.519 -3.496 1.00 0.00 C ATOM 13 OG SER A 2 7.468 -6.496 -3.522 1.00 0.00 O ATOM 0 H SER A 2 7.095 -8.881 -2.296 1.00 0.00 H new ATOM 0 HA SER A 2 4.448 -7.914 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.661 -6.092 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.690 -5.896 -2.678 1.00 0.00 H new ATOM 0 HG SER A 2 7.778 -5.573 -3.633 1.00 0.00 H new ATOM 19 N SER A 3 7.057 -9.198 -4.731 1.00 0.00 N ATOM 20 CA SER A 3 7.461 -9.982 -5.892 1.00 0.00 C ATOM 21 C SER A 3 6.426 -11.058 -6.208 1.00 0.00 C ATOM 22 O SER A 3 5.688 -11.503 -5.329 1.00 0.00 O ATOM 23 CB SER A 3 8.826 -10.628 -5.648 1.00 0.00 C ATOM 24 OG SER A 3 9.532 -10.804 -6.864 1.00 0.00 O ATOM 0 H SER A 3 7.804 -9.026 -4.058 1.00 0.00 H new ATOM 0 HA SER A 3 7.533 -9.309 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.411 -10.005 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.693 -11.593 -5.158 1.00 0.00 H new ATOM 0 HG SER A 3 10.402 -11.217 -6.681 1.00 0.00 H new ATOM 30 N GLY A 4 6.379 -11.473 -7.470 1.00 0.00 N ATOM 31 CA GLY A 4 5.432 -12.493 -7.881 1.00 0.00 C ATOM 32 C GLY A 4 5.789 -13.111 -9.218 1.00 0.00 C ATOM 33 O GLY A 4 6.661 -12.609 -9.929 1.00 0.00 O ATOM 0 H GLY A 4 6.980 -11.121 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.392 -13.274 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.435 -12.056 -7.941 1.00 0.00 H new ATOM 37 N SER A 5 5.116 -14.204 -9.562 1.00 0.00 N ATOM 38 CA SER A 5 5.371 -14.895 -10.821 1.00 0.00 C ATOM 39 C SER A 5 4.710 -14.163 -11.986 1.00 0.00 C ATOM 40 O SER A 5 3.506 -14.288 -12.209 1.00 0.00 O ATOM 41 CB SER A 5 4.857 -16.334 -10.751 1.00 0.00 C ATOM 42 OG SER A 5 5.485 -17.049 -9.701 1.00 0.00 O ATOM 0 H SER A 5 4.390 -14.630 -8.987 1.00 0.00 H new ATOM 0 HA SER A 5 6.448 -14.909 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.778 -16.331 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.043 -16.837 -11.700 1.00 0.00 H new ATOM 0 HG SER A 5 5.138 -17.965 -9.676 1.00 0.00 H new ATOM 48 N SER A 6 5.508 -13.399 -12.725 1.00 0.00 N ATOM 49 CA SER A 6 5.002 -12.644 -13.865 1.00 0.00 C ATOM 50 C SER A 6 6.141 -11.954 -14.609 1.00 0.00 C ATOM 51 O SER A 6 7.047 -11.392 -13.996 1.00 0.00 O ATOM 52 CB SER A 6 3.978 -11.606 -13.402 1.00 0.00 C ATOM 53 OG SER A 6 4.573 -10.653 -12.538 1.00 0.00 O ATOM 0 H SER A 6 6.507 -13.287 -12.555 1.00 0.00 H new ATOM 0 HA SER A 6 4.518 -13.344 -14.546 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.551 -11.100 -14.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.157 -12.105 -12.888 1.00 0.00 H new ATOM 0 HG SER A 6 3.899 -10.000 -12.257 1.00 0.00 H new ATOM 59 N GLY A 7 6.088 -12.002 -15.937 1.00 0.00 N ATOM 60 CA GLY A 7 7.120 -11.379 -16.744 1.00 0.00 C ATOM 61 C GLY A 7 6.884 -9.895 -16.943 1.00 0.00 C ATOM 62 O GLY A 7 6.910 -9.399 -18.070 1.00 0.00 O ATOM 0 H GLY A 7 5.348 -12.462 -16.468 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.089 -11.529 -16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.163 -11.870 -17.716 1.00 0.00 H new ATOM 66 N THR A 8 6.650 -9.182 -15.846 1.00 0.00 N ATOM 67 CA THR A 8 6.405 -7.746 -15.905 1.00 0.00 C ATOM 68 C THR A 8 7.408 -6.981 -15.049 1.00 0.00 C ATOM 69 O THR A 8 7.621 -7.311 -13.882 1.00 0.00 O ATOM 70 CB THR A 8 4.978 -7.400 -15.437 1.00 0.00 C ATOM 71 OG1 THR A 8 4.018 -8.118 -16.220 1.00 0.00 O ATOM 72 CG2 THR A 8 4.719 -5.906 -15.551 1.00 0.00 C ATOM 0 H THR A 8 6.625 -9.576 -14.905 1.00 0.00 H new ATOM 0 HA THR A 8 6.520 -7.448 -16.947 1.00 0.00 H new ATOM 0 HB THR A 8 4.882 -7.690 -14.391 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.114 -7.894 -15.915 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.706 -5.686 -15.215 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.433 -5.365 -14.930 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.833 -5.595 -16.590 1.00 0.00 H new ATOM 80 N TYR A 9 8.020 -5.959 -15.635 1.00 0.00 N ATOM 81 CA TYR A 9 9.002 -5.147 -14.926 1.00 0.00 C ATOM 82 C TYR A 9 8.448 -4.666 -13.589 1.00 0.00 C ATOM 83 O TYR A 9 7.272 -4.865 -13.284 1.00 0.00 O ATOM 84 CB TYR A 9 9.416 -3.948 -15.781 1.00 0.00 C ATOM 85 CG TYR A 9 8.510 -2.749 -15.621 1.00 0.00 C ATOM 86 CD1 TYR A 9 7.331 -2.642 -16.348 1.00 0.00 C ATOM 87 CD2 TYR A 9 8.833 -1.722 -14.741 1.00 0.00 C ATOM 88 CE1 TYR A 9 6.501 -1.547 -16.205 1.00 0.00 C ATOM 89 CE2 TYR A 9 8.007 -0.625 -14.591 1.00 0.00 C ATOM 90 CZ TYR A 9 6.843 -0.541 -15.326 1.00 0.00 C ATOM 91 OH TYR A 9 6.017 0.550 -15.180 1.00 0.00 O ATOM 0 H TYR A 9 7.854 -5.673 -16.600 1.00 0.00 H new ATOM 0 HA TYR A 9 9.878 -5.767 -14.733 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.435 -3.661 -15.520 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.428 -4.247 -16.829 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.059 -3.428 -17.037 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.745 -1.783 -14.165 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.589 -1.479 -16.779 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.271 0.163 -13.902 1.00 0.00 H new ATOM 0 HH TYR A 9 6.402 1.166 -14.522 1.00 0.00 H new ATOM 101 N ASP A 10 9.304 -4.031 -12.796 1.00 0.00 N ATOM 102 CA ASP A 10 8.901 -3.518 -11.491 1.00 0.00 C ATOM 103 C ASP A 10 9.922 -2.515 -10.963 1.00 0.00 C ATOM 104 O ASP A 10 11.079 -2.860 -10.725 1.00 0.00 O ATOM 105 CB ASP A 10 8.736 -4.669 -10.497 1.00 0.00 C ATOM 106 CG ASP A 10 10.062 -5.146 -9.938 1.00 0.00 C ATOM 107 OD1 ASP A 10 10.533 -4.557 -8.944 1.00 0.00 O ATOM 108 OD2 ASP A 10 10.629 -6.109 -10.497 1.00 0.00 O ATOM 0 H ASP A 10 10.281 -3.859 -13.034 1.00 0.00 H new ATOM 0 HA ASP A 10 7.945 -3.008 -11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.094 -4.348 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.232 -5.501 -10.989 1.00 0.00 H new ATOM 113 N GLU A 11 9.484 -1.273 -10.782 1.00 0.00 N ATOM 114 CA GLU A 11 10.361 -0.220 -10.284 1.00 0.00 C ATOM 115 C GLU A 11 11.108 -0.679 -9.035 1.00 0.00 C ATOM 116 O GLU A 11 10.541 -1.348 -8.170 1.00 0.00 O ATOM 117 CB GLU A 11 9.554 1.042 -9.973 1.00 0.00 C ATOM 118 CG GLU A 11 9.420 1.986 -11.157 1.00 0.00 C ATOM 119 CD GLU A 11 10.730 2.659 -11.517 1.00 0.00 C ATOM 120 OE1 GLU A 11 11.797 2.087 -11.209 1.00 0.00 O ATOM 121 OE2 GLU A 11 10.689 3.760 -12.106 1.00 0.00 O ATOM 0 H GLU A 11 8.528 -0.972 -10.973 1.00 0.00 H new ATOM 0 HA GLU A 11 11.091 0.006 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.559 0.753 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.029 1.573 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.052 1.431 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.675 2.748 -10.927 1.00 0.00 H new ATOM 128 N TYR A 12 12.383 -0.317 -8.949 1.00 0.00 N ATOM 129 CA TYR A 12 13.209 -0.694 -7.808 1.00 0.00 C ATOM 130 C TYR A 12 13.105 0.343 -6.694 1.00 0.00 C ATOM 131 O TYR A 12 13.186 1.545 -6.941 1.00 0.00 O ATOM 132 CB TYR A 12 14.668 -0.852 -8.238 1.00 0.00 C ATOM 133 CG TYR A 12 15.579 -1.324 -7.128 1.00 0.00 C ATOM 134 CD1 TYR A 12 15.867 -0.505 -6.043 1.00 0.00 C ATOM 135 CD2 TYR A 12 16.152 -2.589 -7.163 1.00 0.00 C ATOM 136 CE1 TYR A 12 16.699 -0.932 -5.026 1.00 0.00 C ATOM 137 CE2 TYR A 12 16.985 -3.025 -6.151 1.00 0.00 C ATOM 138 CZ TYR A 12 17.256 -2.193 -5.085 1.00 0.00 C ATOM 139 OH TYR A 12 18.084 -2.623 -4.074 1.00 0.00 O ATOM 0 H TYR A 12 12.867 0.237 -9.656 1.00 0.00 H new ATOM 0 HA TYR A 12 12.844 -1.648 -7.427 1.00 0.00 H new ATOM 0 HB2 TYR A 12 14.720 -1.560 -9.065 1.00 0.00 H new ATOM 0 HB3 TYR A 12 15.033 0.104 -8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 12 15.433 0.483 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 12 15.942 -3.243 -7.996 1.00 0.00 H new ATOM 0 HE1 TYR A 12 16.912 -0.283 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 12 17.422 -4.012 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 12 18.391 -3.533 -4.268 1.00 0.00 H new ATOM 149 N GLU A 13 12.926 -0.134 -5.465 1.00 0.00 N ATOM 150 CA GLU A 13 12.811 0.752 -4.313 1.00 0.00 C ATOM 151 C GLU A 13 13.642 0.232 -3.143 1.00 0.00 C ATOM 152 O GLU A 13 14.207 -0.858 -3.205 1.00 0.00 O ATOM 153 CB GLU A 13 11.346 0.888 -3.891 1.00 0.00 C ATOM 154 CG GLU A 13 10.444 1.424 -4.990 1.00 0.00 C ATOM 155 CD GLU A 13 10.801 2.840 -5.400 1.00 0.00 C ATOM 156 OE1 GLU A 13 11.442 3.547 -4.595 1.00 0.00 O ATOM 157 OE2 GLU A 13 10.439 3.240 -6.526 1.00 0.00 O ATOM 0 H GLU A 13 12.858 -1.127 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 13 13.192 1.732 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.976 -0.087 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.285 1.550 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.510 0.770 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.409 1.398 -4.650 1.00 0.00 H new ATOM 164 N ASN A 14 13.710 1.023 -2.076 1.00 0.00 N ATOM 165 CA ASN A 14 14.473 0.645 -0.892 1.00 0.00 C ATOM 166 C ASN A 14 13.613 0.745 0.364 1.00 0.00 C ATOM 167 O ASN A 14 13.587 -0.171 1.186 1.00 0.00 O ATOM 168 CB ASN A 14 15.709 1.535 -0.750 1.00 0.00 C ATOM 169 CG ASN A 14 15.351 2.977 -0.449 1.00 0.00 C ATOM 170 OD1 ASN A 14 14.479 3.559 -1.094 1.00 0.00 O ATOM 171 ND2 ASN A 14 16.025 3.561 0.534 1.00 0.00 N ATOM 0 H ASN A 14 13.246 1.929 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 14 14.792 -0.391 -1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.343 1.147 0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.292 1.493 -1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.828 4.531 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.740 3.040 1.042 1.00 0.00 H new ATOM 178 N ASP A 15 12.910 1.864 0.504 1.00 0.00 N ATOM 179 CA ASP A 15 12.046 2.084 1.659 1.00 0.00 C ATOM 180 C ASP A 15 10.576 2.045 1.254 1.00 0.00 C ATOM 181 O ASP A 15 10.011 3.054 0.830 1.00 0.00 O ATOM 182 CB ASP A 15 12.371 3.426 2.317 1.00 0.00 C ATOM 183 CG ASP A 15 13.859 3.618 2.536 1.00 0.00 C ATOM 184 OD1 ASP A 15 14.571 2.604 2.698 1.00 0.00 O ATOM 185 OD2 ASP A 15 14.312 4.782 2.546 1.00 0.00 O ATOM 0 H ASP A 15 12.921 2.632 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 15 12.228 1.283 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.991 4.235 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.854 3.493 3.274 1.00 0.00 H new ATOM 190 N LEU A 16 9.963 0.874 1.385 1.00 0.00 N ATOM 191 CA LEU A 16 8.558 0.702 1.031 1.00 0.00 C ATOM 192 C LEU A 16 7.653 1.400 2.042 1.00 0.00 C ATOM 193 O LEU A 16 6.715 2.104 1.668 1.00 0.00 O ATOM 194 CB LEU A 16 8.208 -0.785 0.958 1.00 0.00 C ATOM 195 CG LEU A 16 9.078 -1.635 0.031 1.00 0.00 C ATOM 196 CD1 LEU A 16 8.742 -3.110 0.187 1.00 0.00 C ATOM 197 CD2 LEU A 16 8.902 -1.196 -1.415 1.00 0.00 C ATOM 0 H LEU A 16 10.416 0.029 1.734 1.00 0.00 H new ATOM 0 HA LEU A 16 8.397 1.155 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.269 -1.202 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.171 -0.878 0.636 1.00 0.00 H new ATOM 0 HG LEU A 16 10.122 -1.490 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.371 -3.699 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.920 -3.417 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.694 -3.273 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.528 -1.811 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.858 -1.311 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.194 -0.151 -1.516 1.00 0.00 H new ATOM 209 N GLY A 17 7.943 1.203 3.324 1.00 0.00 N ATOM 210 CA GLY A 17 7.148 1.821 4.368 1.00 0.00 C ATOM 211 C GLY A 17 5.906 1.019 4.704 1.00 0.00 C ATOM 212 O GLY A 17 5.946 -0.211 4.741 1.00 0.00 O ATOM 0 H GLY A 17 8.715 0.626 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.757 1.934 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.856 2.823 4.053 1.00 0.00 H new ATOM 216 N ILE A 18 4.802 1.716 4.951 1.00 0.00 N ATOM 217 CA ILE A 18 3.544 1.060 5.286 1.00 0.00 C ATOM 218 C ILE A 18 2.939 0.376 4.065 1.00 0.00 C ATOM 219 O ILE A 18 3.068 0.860 2.940 1.00 0.00 O ATOM 220 CB ILE A 18 2.523 2.060 5.859 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.080 2.726 7.119 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.207 1.358 6.162 1.00 0.00 C ATOM 223 CD1 ILE A 18 3.951 3.929 6.832 1.00 0.00 C ATOM 0 H ILE A 18 4.753 2.735 4.925 1.00 0.00 H new ATOM 0 HA ILE A 18 3.771 0.311 6.044 1.00 0.00 H new ATOM 0 HB ILE A 18 2.337 2.834 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.250 3.032 7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.660 1.994 7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.495 2.078 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.805 0.926 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.377 0.566 6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.311 4.350 7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.801 3.625 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.370 4.680 6.297 1.00 0.00 H new ATOM 235 N THR A 19 2.276 -0.754 4.295 1.00 0.00 N ATOM 236 CA THR A 19 1.649 -1.505 3.214 1.00 0.00 C ATOM 237 C THR A 19 0.259 -1.987 3.614 1.00 0.00 C ATOM 238 O THR A 19 0.048 -2.433 4.741 1.00 0.00 O ATOM 239 CB THR A 19 2.504 -2.719 2.805 1.00 0.00 C ATOM 240 OG1 THR A 19 2.813 -3.511 3.957 1.00 0.00 O ATOM 241 CG2 THR A 19 3.792 -2.272 2.130 1.00 0.00 C ATOM 0 H THR A 19 2.160 -1.169 5.220 1.00 0.00 H new ATOM 0 HA THR A 19 1.564 -0.827 2.365 1.00 0.00 H new ATOM 0 HB THR A 19 1.930 -3.317 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.355 -4.282 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.379 -3.147 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.553 -1.695 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.368 -1.654 2.819 1.00 0.00 H new ATOM 249 N ALA A 20 -0.684 -1.896 2.683 1.00 0.00 N ATOM 250 CA ALA A 20 -2.054 -2.326 2.938 1.00 0.00 C ATOM 251 C ALA A 20 -2.605 -3.126 1.763 1.00 0.00 C ATOM 252 O ALA A 20 -2.221 -2.908 0.615 1.00 0.00 O ATOM 253 CB ALA A 20 -2.940 -1.123 3.222 1.00 0.00 C ATOM 0 H ALA A 20 -0.525 -1.528 1.745 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.049 -2.974 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.960 -1.459 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.565 -0.593 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.932 -0.454 2.362 1.00 0.00 H new ATOM 259 N VAL A 21 -3.509 -4.056 2.059 1.00 0.00 N ATOM 260 CA VAL A 21 -4.114 -4.889 1.027 1.00 0.00 C ATOM 261 C VAL A 21 -5.567 -4.497 0.786 1.00 0.00 C ATOM 262 O VAL A 21 -6.333 -4.304 1.729 1.00 0.00 O ATOM 263 CB VAL A 21 -4.052 -6.382 1.403 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.878 -6.652 2.652 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.527 -7.243 0.243 1.00 0.00 C ATOM 0 H VAL A 21 -3.838 -4.251 3.005 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.541 -4.728 0.114 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.016 -6.643 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.823 -7.711 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.487 -6.062 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.916 -6.376 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.477 -8.294 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.556 -6.983 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.889 -7.070 -0.624 1.00 0.00 H new ATOM 275 N ALA A 22 -5.939 -4.381 -0.485 1.00 0.00 N ATOM 276 CA ALA A 22 -7.302 -4.013 -0.851 1.00 0.00 C ATOM 277 C ALA A 22 -8.268 -5.165 -0.595 1.00 0.00 C ATOM 278 O ALA A 22 -7.907 -6.334 -0.734 1.00 0.00 O ATOM 279 CB ALA A 22 -7.359 -3.587 -2.310 1.00 0.00 C ATOM 0 H ALA A 22 -5.316 -4.536 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.606 -3.173 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.382 -3.315 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.705 -2.729 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.031 -4.412 -2.943 1.00 0.00 H new ATOM 285 N LEU A 23 -9.497 -4.828 -0.221 1.00 0.00 N ATOM 286 CA LEU A 23 -10.516 -5.834 0.055 1.00 0.00 C ATOM 287 C LEU A 23 -11.544 -5.891 -1.071 1.00 0.00 C ATOM 288 O LEU A 23 -12.048 -6.962 -1.411 1.00 0.00 O ATOM 289 CB LEU A 23 -11.214 -5.532 1.382 1.00 0.00 C ATOM 290 CG LEU A 23 -10.297 -5.313 2.587 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.080 -4.728 3.753 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.628 -6.618 2.992 1.00 0.00 C ATOM 0 H LEU A 23 -9.812 -3.865 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.024 -6.804 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.829 -4.642 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.890 -6.356 1.610 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.520 -4.603 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.412 -4.579 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.511 -3.771 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.878 -5.414 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.980 -6.443 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.390 -7.351 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.034 -6.996 2.160 1.00 0.00 H new ATOM 304 N TYR A 24 -11.848 -4.734 -1.647 1.00 0.00 N ATOM 305 CA TYR A 24 -12.815 -4.651 -2.734 1.00 0.00 C ATOM 306 C TYR A 24 -12.281 -3.791 -3.875 1.00 0.00 C ATOM 307 O TYR A 24 -11.454 -2.904 -3.664 1.00 0.00 O ATOM 308 CB TYR A 24 -14.139 -4.078 -2.225 1.00 0.00 C ATOM 309 CG TYR A 24 -14.532 -4.586 -0.857 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.974 -4.043 0.294 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.461 -5.610 -0.714 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.330 -4.505 1.547 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.824 -6.076 0.535 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.255 -5.521 1.662 1.00 0.00 C ATOM 315 OH TYR A 24 -15.613 -5.984 2.908 1.00 0.00 O ATOM 0 H TYR A 24 -11.438 -3.839 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.985 -5.659 -3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.066 -2.991 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.929 -4.324 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.250 -3.246 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.907 -6.049 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.886 -4.072 2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.549 -6.871 0.628 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.276 -6.700 2.813 1.00 0.00 H new ATOM 325 N ASP A 25 -12.760 -4.060 -5.085 1.00 0.00 N ATOM 326 CA ASP A 25 -12.333 -3.310 -6.260 1.00 0.00 C ATOM 327 C ASP A 25 -12.627 -1.822 -6.092 1.00 0.00 C ATOM 328 O ASP A 25 -13.681 -1.441 -5.583 1.00 0.00 O ATOM 329 CB ASP A 25 -13.032 -3.842 -7.512 1.00 0.00 C ATOM 330 CG ASP A 25 -14.541 -3.871 -7.365 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.144 -2.786 -7.231 1.00 0.00 O ATOM 332 OD2 ASP A 25 -15.118 -4.978 -7.384 1.00 0.00 O ATOM 0 H ASP A 25 -13.444 -4.792 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.256 -3.439 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.765 -3.219 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.671 -4.848 -7.726 1.00 0.00 H new ATOM 337 N TYR A 26 -11.688 -0.987 -6.523 1.00 0.00 N ATOM 338 CA TYR A 26 -11.844 0.459 -6.417 1.00 0.00 C ATOM 339 C TYR A 26 -11.327 1.156 -7.671 1.00 0.00 C ATOM 340 O TYR A 26 -10.181 0.960 -8.075 1.00 0.00 O ATOM 341 CB TYR A 26 -11.103 0.984 -5.186 1.00 0.00 C ATOM 342 CG TYR A 26 -11.598 2.331 -4.710 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.214 3.501 -5.354 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.450 2.434 -3.618 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.663 4.734 -4.923 1.00 0.00 C ATOM 346 CE2 TYR A 26 -12.905 3.663 -3.180 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.509 4.810 -3.836 1.00 0.00 C ATOM 348 OH TYR A 26 -12.959 6.036 -3.404 1.00 0.00 O ATOM 0 H TYR A 26 -10.811 -1.287 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.907 0.678 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.205 0.262 -4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.040 1.057 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.553 3.445 -6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.762 1.538 -3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.353 5.634 -5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.567 3.725 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.718 5.911 -2.797 1.00 0.00 H new ATOM 358 N GLN A 27 -12.181 1.971 -8.282 1.00 0.00 N ATOM 359 CA GLN A 27 -11.811 2.697 -9.491 1.00 0.00 C ATOM 360 C GLN A 27 -11.897 4.204 -9.268 1.00 0.00 C ATOM 361 O GLN A 27 -12.973 4.794 -9.357 1.00 0.00 O ATOM 362 CB GLN A 27 -12.718 2.290 -10.654 1.00 0.00 C ATOM 363 CG GLN A 27 -14.196 2.515 -10.381 1.00 0.00 C ATOM 364 CD GLN A 27 -15.081 1.511 -11.093 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.879 1.874 -11.958 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.943 0.241 -10.733 1.00 0.00 N ATOM 0 H GLN A 27 -13.133 2.145 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.780 2.442 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.431 2.854 -11.542 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.555 1.236 -10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.376 2.456 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.470 3.522 -10.695 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.269 -0.014 -10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.511 -0.480 -11.178 1.00 0.00 H new ATOM 375 N ALA A 28 -10.755 4.820 -8.977 1.00 0.00 N ATOM 376 CA ALA A 28 -10.701 6.257 -8.743 1.00 0.00 C ATOM 377 C ALA A 28 -11.652 7.001 -9.674 1.00 0.00 C ATOM 378 O ALA A 28 -11.802 6.640 -10.841 1.00 0.00 O ATOM 379 CB ALA A 28 -9.279 6.767 -8.920 1.00 0.00 C ATOM 0 H ALA A 28 -9.856 4.346 -8.898 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.018 6.445 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.253 7.842 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.622 6.266 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.942 6.559 -9.935 1.00 0.00 H new ATOM 385 N ALA A 29 -12.292 8.042 -9.150 1.00 0.00 N ATOM 386 CA ALA A 29 -13.227 8.837 -9.936 1.00 0.00 C ATOM 387 C ALA A 29 -12.493 9.874 -10.779 1.00 0.00 C ATOM 388 O ALA A 29 -12.901 10.179 -11.899 1.00 0.00 O ATOM 389 CB ALA A 29 -14.238 9.517 -9.023 1.00 0.00 C ATOM 0 H ALA A 29 -12.180 8.354 -8.185 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.757 8.166 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.930 10.108 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.793 8.761 -8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.715 10.170 -8.324 1.00 0.00 H new ATOM 395 N GLY A 30 -11.407 10.413 -10.233 1.00 0.00 N ATOM 396 CA GLY A 30 -10.634 11.410 -10.950 1.00 0.00 C ATOM 397 C GLY A 30 -9.176 11.019 -11.096 1.00 0.00 C ATOM 398 O GLY A 30 -8.833 9.840 -11.020 1.00 0.00 O ATOM 0 H GLY A 30 -11.049 10.177 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.068 11.559 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.701 12.363 -10.425 1.00 0.00 H new ATOM 402 N ASP A 31 -8.318 12.011 -11.307 1.00 0.00 N ATOM 403 CA ASP A 31 -6.889 11.765 -11.464 1.00 0.00 C ATOM 404 C ASP A 31 -6.205 11.647 -10.106 1.00 0.00 C ATOM 405 O ASP A 31 -5.339 10.795 -9.908 1.00 0.00 O ATOM 406 CB ASP A 31 -6.243 12.887 -12.279 1.00 0.00 C ATOM 407 CG ASP A 31 -6.658 14.264 -11.798 1.00 0.00 C ATOM 408 OD1 ASP A 31 -7.872 14.556 -11.811 1.00 0.00 O ATOM 409 OD2 ASP A 31 -5.768 15.049 -11.409 1.00 0.00 O ATOM 0 H ASP A 31 -8.587 12.993 -11.373 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.764 10.822 -11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.158 12.796 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.516 12.774 -13.328 1.00 0.00 H new ATOM 414 N ASP A 32 -6.599 12.508 -9.174 1.00 0.00 N ATOM 415 CA ASP A 32 -6.024 12.501 -7.834 1.00 0.00 C ATOM 416 C ASP A 32 -6.130 11.115 -7.205 1.00 0.00 C ATOM 417 O ASP A 32 -5.175 10.620 -6.608 1.00 0.00 O ATOM 418 CB ASP A 32 -6.726 13.532 -6.949 1.00 0.00 C ATOM 419 CG ASP A 32 -8.192 13.694 -7.300 1.00 0.00 C ATOM 420 OD1 ASP A 32 -8.777 12.743 -7.859 1.00 0.00 O ATOM 421 OD2 ASP A 32 -8.754 14.772 -7.016 1.00 0.00 O ATOM 0 H ASP A 32 -7.314 13.220 -9.322 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.969 12.763 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.636 13.232 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.223 14.494 -7.048 1.00 0.00 H new ATOM 426 N GLU A 33 -7.299 10.496 -7.342 1.00 0.00 N ATOM 427 CA GLU A 33 -7.530 9.169 -6.785 1.00 0.00 C ATOM 428 C GLU A 33 -6.936 8.090 -7.686 1.00 0.00 C ATOM 429 O GLU A 33 -6.813 8.276 -8.897 1.00 0.00 O ATOM 430 CB GLU A 33 -9.028 8.924 -6.597 1.00 0.00 C ATOM 431 CG GLU A 33 -9.671 9.839 -5.568 1.00 0.00 C ATOM 432 CD GLU A 33 -11.154 10.039 -5.811 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.952 9.218 -5.313 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.517 11.017 -6.498 1.00 0.00 O ATOM 0 H GLU A 33 -8.100 10.893 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.037 9.120 -5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.532 9.057 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.183 7.888 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.523 9.421 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.170 10.807 -5.585 1.00 0.00 H new ATOM 441 N ILE A 34 -6.569 6.962 -7.086 1.00 0.00 N ATOM 442 CA ILE A 34 -5.989 5.854 -7.833 1.00 0.00 C ATOM 443 C ILE A 34 -6.911 4.639 -7.820 1.00 0.00 C ATOM 444 O ILE A 34 -7.626 4.401 -6.847 1.00 0.00 O ATOM 445 CB ILE A 34 -4.617 5.448 -7.264 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.655 5.445 -5.735 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.534 6.390 -7.770 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.469 4.751 -5.102 1.00 0.00 C ATOM 0 H ILE A 34 -6.663 6.792 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.860 6.199 -8.859 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.383 4.439 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.696 6.474 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.571 4.956 -5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.570 6.090 -7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.494 6.347 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.762 7.408 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.563 4.787 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.439 3.712 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.550 5.253 -5.404 1.00 0.00 H new ATOM 460 N SER A 35 -6.888 3.873 -8.906 1.00 0.00 N ATOM 461 CA SER A 35 -7.724 2.684 -9.021 1.00 0.00 C ATOM 462 C SER A 35 -6.890 1.416 -8.858 1.00 0.00 C ATOM 463 O SER A 35 -5.914 1.205 -9.578 1.00 0.00 O ATOM 464 CB SER A 35 -8.441 2.666 -10.372 1.00 0.00 C ATOM 465 OG SER A 35 -7.512 2.687 -11.442 1.00 0.00 O ATOM 0 H SER A 35 -6.299 4.055 -9.719 1.00 0.00 H new ATOM 0 HA SER A 35 -8.467 2.715 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.064 1.775 -10.445 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.106 3.527 -10.446 1.00 0.00 H new ATOM 0 HG SER A 35 -6.709 2.186 -11.188 1.00 0.00 H new ATOM 471 N PHE A 36 -7.282 0.576 -7.906 1.00 0.00 N ATOM 472 CA PHE A 36 -6.571 -0.671 -7.647 1.00 0.00 C ATOM 473 C PHE A 36 -7.547 -1.836 -7.514 1.00 0.00 C ATOM 474 O PHE A 36 -8.702 -1.651 -7.128 1.00 0.00 O ATOM 475 CB PHE A 36 -5.729 -0.548 -6.375 1.00 0.00 C ATOM 476 CG PHE A 36 -6.369 0.299 -5.313 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.600 -0.048 -4.780 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.739 1.441 -4.846 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.192 0.730 -3.803 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.325 2.223 -3.868 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.553 1.866 -3.345 1.00 0.00 C ATOM 0 H PHE A 36 -8.088 0.736 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.912 -0.867 -8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.545 -1.544 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.758 -0.124 -6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.103 -0.937 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.779 1.724 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.153 0.450 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.824 3.111 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.012 2.474 -2.580 1.00 0.00 H new ATOM 491 N ASP A 37 -7.075 -3.035 -7.836 1.00 0.00 N ATOM 492 CA ASP A 37 -7.905 -4.231 -7.753 1.00 0.00 C ATOM 493 C ASP A 37 -7.927 -4.779 -6.329 1.00 0.00 C ATOM 494 O ASP A 37 -7.076 -4.456 -5.500 1.00 0.00 O ATOM 495 CB ASP A 37 -7.391 -5.303 -8.716 1.00 0.00 C ATOM 496 CG ASP A 37 -8.045 -5.215 -10.081 1.00 0.00 C ATOM 497 OD1 ASP A 37 -7.544 -4.449 -10.931 1.00 0.00 O ATOM 498 OD2 ASP A 37 -9.057 -5.912 -10.300 1.00 0.00 O ATOM 0 H ASP A 37 -6.122 -3.205 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.922 -3.958 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.311 -5.201 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.576 -6.289 -8.290 1.00 0.00 H new ATOM 503 N PRO A 38 -8.925 -5.626 -6.036 1.00 0.00 N ATOM 504 CA PRO A 38 -9.083 -6.235 -4.712 1.00 0.00 C ATOM 505 C PRO A 38 -7.993 -7.259 -4.412 1.00 0.00 C ATOM 506 O PRO A 38 -7.562 -7.998 -5.297 1.00 0.00 O ATOM 507 CB PRO A 38 -10.450 -6.918 -4.797 1.00 0.00 C ATOM 508 CG PRO A 38 -10.651 -7.185 -6.249 1.00 0.00 C ATOM 509 CD PRO A 38 -9.975 -6.055 -6.975 1.00 0.00 C ATOM 0 HA PRO A 38 -9.009 -5.498 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.468 -7.842 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.238 -6.278 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.219 -8.145 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.712 -7.228 -6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.554 -6.383 -7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.671 -5.246 -7.196 1.00 0.00 H new ATOM 517 N ASP A 39 -7.554 -7.298 -3.159 1.00 0.00 N ATOM 518 CA ASP A 39 -6.516 -8.233 -2.741 1.00 0.00 C ATOM 519 C ASP A 39 -5.146 -7.782 -3.239 1.00 0.00 C ATOM 520 O ASP A 39 -4.251 -8.600 -3.451 1.00 0.00 O ATOM 521 CB ASP A 39 -6.824 -9.637 -3.263 1.00 0.00 C ATOM 522 CG ASP A 39 -8.288 -10.001 -3.114 1.00 0.00 C ATOM 523 OD1 ASP A 39 -8.695 -10.377 -1.995 1.00 0.00 O ATOM 524 OD2 ASP A 39 -9.027 -9.912 -4.117 1.00 0.00 O ATOM 0 H ASP A 39 -7.901 -6.693 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.498 -8.254 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.542 -9.701 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.215 -10.363 -2.725 1.00 0.00 H new ATOM 529 N ASP A 40 -4.990 -6.476 -3.423 1.00 0.00 N ATOM 530 CA ASP A 40 -3.730 -5.915 -3.896 1.00 0.00 C ATOM 531 C ASP A 40 -3.024 -5.148 -2.782 1.00 0.00 C ATOM 532 O ASP A 40 -3.650 -4.377 -2.054 1.00 0.00 O ATOM 533 CB ASP A 40 -3.973 -4.993 -5.092 1.00 0.00 C ATOM 534 CG ASP A 40 -4.043 -5.751 -6.403 1.00 0.00 C ATOM 535 OD1 ASP A 40 -4.373 -6.956 -6.375 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.767 -5.140 -7.456 1.00 0.00 O ATOM 0 H ASP A 40 -5.721 -5.785 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.089 -6.740 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.904 -4.446 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.174 -4.254 -5.145 1.00 0.00 H new ATOM 541 N ILE A 41 -1.720 -5.366 -2.654 1.00 0.00 N ATOM 542 CA ILE A 41 -0.930 -4.695 -1.629 1.00 0.00 C ATOM 543 C ILE A 41 -0.327 -3.399 -2.160 1.00 0.00 C ATOM 544 O ILE A 41 0.131 -3.338 -3.301 1.00 0.00 O ATOM 545 CB ILE A 41 0.202 -5.600 -1.109 1.00 0.00 C ATOM 546 CG1 ILE A 41 -0.361 -6.673 -0.175 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.258 -4.769 -0.394 1.00 0.00 C ATOM 548 CD1 ILE A 41 -1.136 -7.754 -0.895 1.00 0.00 C ATOM 0 H ILE A 41 -1.188 -6.002 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.608 -4.467 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 41 0.671 -6.095 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.460 -7.131 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.012 -6.199 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.052 -5.423 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.677 -4.039 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.803 -4.250 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.506 -8.480 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.978 -7.307 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.483 -8.255 -1.610 1.00 0.00 H new ATOM 560 N ILE A 42 -0.330 -2.366 -1.324 1.00 0.00 N ATOM 561 CA ILE A 42 0.220 -1.072 -1.709 1.00 0.00 C ATOM 562 C ILE A 42 1.489 -0.759 -0.924 1.00 0.00 C ATOM 563 O ILE A 42 1.676 -1.238 0.195 1.00 0.00 O ATOM 564 CB ILE A 42 -0.800 0.061 -1.487 1.00 0.00 C ATOM 565 CG1 ILE A 42 -2.022 -0.141 -2.384 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.156 1.413 -1.756 1.00 0.00 C ATOM 567 CD1 ILE A 42 -3.110 -0.976 -1.745 1.00 0.00 C ATOM 0 H ILE A 42 -0.707 -2.400 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 42 0.458 -1.133 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.128 0.037 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.432 0.833 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.707 -0.618 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.889 2.204 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.686 1.556 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.197 1.449 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.945 -1.078 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.716 -1.963 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.453 -0.489 -0.832 1.00 0.00 H new ATOM 579 N THR A 43 2.361 0.051 -1.518 1.00 0.00 N ATOM 580 CA THR A 43 3.613 0.429 -0.875 1.00 0.00 C ATOM 581 C THR A 43 3.770 1.944 -0.825 1.00 0.00 C ATOM 582 O THR A 43 3.165 2.666 -1.617 1.00 0.00 O ATOM 583 CB THR A 43 4.826 -0.177 -1.606 1.00 0.00 C ATOM 584 OG1 THR A 43 4.960 0.411 -2.904 1.00 0.00 O ATOM 585 CG2 THR A 43 4.678 -1.686 -1.740 1.00 0.00 C ATOM 0 H THR A 43 2.223 0.457 -2.443 1.00 0.00 H new ATOM 0 HA THR A 43 3.577 0.036 0.141 1.00 0.00 H new ATOM 0 HB THR A 43 5.719 0.034 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.099 0.786 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.546 -2.092 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.606 -2.134 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.776 -1.914 -2.308 1.00 0.00 H new ATOM 593 N ASN A 44 4.586 2.420 0.109 1.00 0.00 N ATOM 594 CA ASN A 44 4.822 3.851 0.262 1.00 0.00 C ATOM 595 C ASN A 44 3.535 4.578 0.642 1.00 0.00 C ATOM 596 O ASN A 44 3.266 5.678 0.159 1.00 0.00 O ATOM 597 CB ASN A 44 5.387 4.437 -1.034 1.00 0.00 C ATOM 598 CG ASN A 44 6.899 4.337 -1.102 1.00 0.00 C ATOM 599 OD1 ASN A 44 7.567 5.220 -1.641 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.446 3.258 -0.554 1.00 0.00 N ATOM 0 H ASN A 44 5.095 1.836 0.772 1.00 0.00 H new ATOM 0 HA ASN A 44 5.547 3.990 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.952 3.914 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.091 5.483 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.459 3.136 -0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.854 2.551 -0.118 1.00 0.00 H new ATOM 607 N ILE A 45 2.745 3.955 1.510 1.00 0.00 N ATOM 608 CA ILE A 45 1.489 4.543 1.956 1.00 0.00 C ATOM 609 C ILE A 45 1.732 5.668 2.957 1.00 0.00 C ATOM 610 O ILE A 45 2.444 5.489 3.944 1.00 0.00 O ATOM 611 CB ILE A 45 0.571 3.487 2.601 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.154 2.441 1.566 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.653 4.152 3.213 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.484 1.211 2.172 1.00 0.00 C ATOM 0 H ILE A 45 2.953 3.044 1.918 1.00 0.00 H new ATOM 0 HA ILE A 45 0.999 4.948 1.071 1.00 0.00 H new ATOM 0 HB ILE A 45 1.123 2.984 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.546 2.895 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.031 2.140 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.292 3.393 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.337 4.862 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.208 4.678 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.754 0.513 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.221 0.733 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.380 1.499 2.722 1.00 0.00 H new ATOM 626 N GLU A 46 1.134 6.826 2.694 1.00 0.00 N ATOM 627 CA GLU A 46 1.285 7.979 3.573 1.00 0.00 C ATOM 628 C GLU A 46 -0.021 8.284 4.301 1.00 0.00 C ATOM 629 O GLU A 46 -1.082 8.371 3.684 1.00 0.00 O ATOM 630 CB GLU A 46 1.733 9.203 2.771 1.00 0.00 C ATOM 631 CG GLU A 46 3.237 9.283 2.571 1.00 0.00 C ATOM 632 CD GLU A 46 3.709 10.688 2.248 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.157 11.296 1.307 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.629 11.178 2.935 1.00 0.00 O ATOM 0 H GLU A 46 0.541 6.990 1.880 1.00 0.00 H new ATOM 0 HA GLU A 46 2.047 7.741 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.246 9.186 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.394 10.105 3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.739 8.934 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.529 8.611 1.764 1.00 0.00 H new ATOM 641 N MET A 47 0.066 8.445 5.617 1.00 0.00 N ATOM 642 CA MET A 47 -1.108 8.740 6.430 1.00 0.00 C ATOM 643 C MET A 47 -1.335 10.246 6.531 1.00 0.00 C ATOM 644 O MET A 47 -0.661 10.934 7.299 1.00 0.00 O ATOM 645 CB MET A 47 -0.951 8.142 7.829 1.00 0.00 C ATOM 646 CG MET A 47 -0.911 6.622 7.839 1.00 0.00 C ATOM 647 SD MET A 47 -1.380 5.925 9.434 1.00 0.00 S ATOM 648 CE MET A 47 -1.604 4.202 8.998 1.00 0.00 C ATOM 0 H MET A 47 0.937 8.376 6.143 1.00 0.00 H new ATOM 0 HA MET A 47 -1.975 8.291 5.946 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.034 8.524 8.278 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.777 8.480 8.454 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.581 6.240 7.069 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.094 6.287 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.897 3.638 9.883 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.382 4.117 8.239 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.669 3.802 8.605 1.00 0.00 H new ATOM 658 N ILE A 48 -2.285 10.750 5.751 1.00 0.00 N ATOM 659 CA ILE A 48 -2.599 12.173 5.754 1.00 0.00 C ATOM 660 C ILE A 48 -3.883 12.451 6.529 1.00 0.00 C ATOM 661 O ILE A 48 -3.872 13.164 7.533 1.00 0.00 O ATOM 662 CB ILE A 48 -2.749 12.720 4.322 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.457 12.502 3.532 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.114 14.197 4.354 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.621 12.693 2.040 1.00 0.00 C ATOM 0 H ILE A 48 -2.850 10.194 5.109 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.766 12.679 6.242 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.553 12.178 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.697 13.192 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.090 11.494 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.216 14.569 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.057 14.327 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.330 14.755 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.665 12.523 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.358 11.984 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.958 13.710 1.838 1.00 0.00 H new ATOM 677 N ASP A 49 -4.987 11.882 6.058 1.00 0.00 N ATOM 678 CA ASP A 49 -6.279 12.065 6.708 1.00 0.00 C ATOM 679 C ASP A 49 -6.667 10.824 7.505 1.00 0.00 C ATOM 680 O ASP A 49 -6.061 9.763 7.355 1.00 0.00 O ATOM 681 CB ASP A 49 -7.357 12.377 5.668 1.00 0.00 C ATOM 682 CG ASP A 49 -8.474 13.233 6.232 1.00 0.00 C ATOM 683 OD1 ASP A 49 -8.214 14.412 6.550 1.00 0.00 O ATOM 684 OD2 ASP A 49 -9.608 12.724 6.355 1.00 0.00 O ATOM 0 H ASP A 49 -5.013 11.290 5.228 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.196 12.905 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.903 12.890 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.774 11.444 5.290 1.00 0.00 H new ATOM 689 N ASP A 50 -7.680 10.965 8.353 1.00 0.00 N ATOM 690 CA ASP A 50 -8.149 9.856 9.175 1.00 0.00 C ATOM 691 C ASP A 50 -9.128 8.981 8.399 1.00 0.00 C ATOM 692 O ASP A 50 -10.014 8.355 8.981 1.00 0.00 O ATOM 693 CB ASP A 50 -8.814 10.382 10.448 1.00 0.00 C ATOM 694 CG ASP A 50 -7.813 10.664 11.551 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.702 10.094 11.504 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.139 11.455 12.460 1.00 0.00 O ATOM 0 H ASP A 50 -8.192 11.837 8.489 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.286 9.249 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.362 11.295 10.217 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.543 9.653 10.801 1.00 0.00 H new ATOM 701 N GLY A 51 -8.963 8.942 7.080 1.00 0.00 N ATOM 702 CA GLY A 51 -9.840 8.142 6.245 1.00 0.00 C ATOM 703 C GLY A 51 -9.248 7.870 4.877 1.00 0.00 C ATOM 704 O GLY A 51 -9.488 6.816 4.288 1.00 0.00 O ATOM 0 H GLY A 51 -8.237 9.450 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.046 7.195 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.794 8.656 6.129 1.00 0.00 H new ATOM 708 N TRP A 52 -8.475 8.823 4.368 1.00 0.00 N ATOM 709 CA TRP A 52 -7.849 8.681 3.059 1.00 0.00 C ATOM 710 C TRP A 52 -6.329 8.664 3.181 1.00 0.00 C ATOM 711 O TRP A 52 -5.759 9.335 4.040 1.00 0.00 O ATOM 712 CB TRP A 52 -8.286 9.820 2.136 1.00 0.00 C ATOM 713 CG TRP A 52 -9.755 9.815 1.840 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.763 10.180 2.687 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.381 9.424 0.613 1.00 0.00 C ATOM 716 NE1 TRP A 52 -11.977 10.039 2.060 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.771 9.578 0.787 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.903 8.962 -0.616 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.684 9.284 -0.222 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.811 8.670 -1.616 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.188 8.833 -1.415 1.00 0.00 C ATOM 0 H TRP A 52 -8.267 9.702 4.842 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.171 7.732 2.631 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.018 10.772 2.594 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.734 9.751 1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.626 10.528 3.700 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.886 10.245 2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.843 8.835 -0.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.746 9.407 -0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.453 8.310 -2.569 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.872 8.598 -2.217 1.00 0.00 H new ATOM 732 N TRP A 53 -5.680 7.892 2.316 1.00 0.00 N ATOM 733 CA TRP A 53 -4.225 7.789 2.328 1.00 0.00 C ATOM 734 C TRP A 53 -3.657 7.936 0.921 1.00 0.00 C ATOM 735 O TRP A 53 -4.390 7.860 -0.065 1.00 0.00 O ATOM 736 CB TRP A 53 -3.794 6.449 2.928 1.00 0.00 C ATOM 737 CG TRP A 53 -4.196 6.284 4.362 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.315 7.270 5.299 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.531 5.058 5.023 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.703 6.731 6.502 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.843 5.376 6.359 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.599 3.723 4.615 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.216 4.408 7.287 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.968 2.763 5.537 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.274 3.109 6.860 1.00 0.00 C ATOM 0 H TRP A 53 -6.137 7.329 1.599 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.833 8.598 2.944 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.228 5.640 2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.711 6.355 2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.131 8.319 5.121 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.861 7.255 7.363 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.367 3.447 3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.451 4.672 8.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.022 1.728 5.233 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.561 2.335 7.557 1.00 0.00 H new ATOM 756 N ARG A 54 -2.348 8.146 0.835 1.00 0.00 N ATOM 757 CA ARG A 54 -1.682 8.305 -0.452 1.00 0.00 C ATOM 758 C ARG A 54 -0.422 7.448 -0.522 1.00 0.00 C ATOM 759 O ARG A 54 0.531 7.665 0.225 1.00 0.00 O ATOM 760 CB ARG A 54 -1.327 9.774 -0.689 1.00 0.00 C ATOM 761 CG ARG A 54 -2.448 10.576 -1.329 1.00 0.00 C ATOM 762 CD ARG A 54 -1.906 11.744 -2.139 1.00 0.00 C ATOM 763 NE ARG A 54 -2.784 12.092 -3.253 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.609 13.163 -4.019 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.593 13.985 -3.794 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.450 13.413 -5.014 1.00 0.00 N ATOM 0 H ARG A 54 -1.727 8.210 1.642 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.369 7.974 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.061 10.233 0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.444 9.827 -1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.038 9.926 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.118 10.949 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.784 12.610 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.917 11.492 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.574 11.479 -3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.943 13.796 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.461 14.807 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.232 12.783 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.315 14.236 -5.602 1.00 0.00 H new ATOM 780 N GLY A 55 -0.425 6.472 -1.426 1.00 0.00 N ATOM 781 CA GLY A 55 0.723 5.597 -1.577 1.00 0.00 C ATOM 782 C GLY A 55 0.958 5.192 -3.018 1.00 0.00 C ATOM 783 O GLY A 55 0.101 5.401 -3.877 1.00 0.00 O ATOM 0 H GLY A 55 -1.202 6.272 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.612 6.099 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.577 4.703 -0.971 1.00 0.00 H new ATOM 787 N VAL A 56 2.123 4.611 -3.286 1.00 0.00 N ATOM 788 CA VAL A 56 2.469 4.176 -4.634 1.00 0.00 C ATOM 789 C VAL A 56 1.941 2.773 -4.911 1.00 0.00 C ATOM 790 O VAL A 56 2.494 1.784 -4.428 1.00 0.00 O ATOM 791 CB VAL A 56 3.993 4.192 -4.855 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.329 3.812 -6.289 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.567 5.558 -4.508 1.00 0.00 C ATOM 0 H VAL A 56 2.844 4.431 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 56 2.002 4.880 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 56 4.446 3.454 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.410 3.829 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.952 2.811 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.866 4.524 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.645 5.552 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.109 6.317 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.359 5.785 -3.463 1.00 0.00 H new ATOM 803 N CYS A 57 0.869 2.694 -5.691 1.00 0.00 N ATOM 804 CA CYS A 57 0.265 1.411 -6.032 1.00 0.00 C ATOM 805 C CYS A 57 0.355 1.151 -7.532 1.00 0.00 C ATOM 806 O CYS A 57 0.105 2.041 -8.345 1.00 0.00 O ATOM 807 CB CYS A 57 -1.196 1.376 -5.583 1.00 0.00 C ATOM 808 SG CYS A 57 -2.201 0.136 -6.433 1.00 0.00 S ATOM 0 H CYS A 57 0.400 3.503 -6.099 1.00 0.00 H new ATOM 0 HA CYS A 57 0.816 0.628 -5.511 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.231 1.183 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.638 2.359 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.992 -0.442 -5.578 1.00 0.00 H new ATOM 814 N LYS A 58 0.715 -0.076 -7.894 1.00 0.00 N ATOM 815 CA LYS A 58 0.839 -0.456 -9.296 1.00 0.00 C ATOM 816 C LYS A 58 1.472 0.668 -10.110 1.00 0.00 C ATOM 817 O LYS A 58 1.194 0.820 -11.299 1.00 0.00 O ATOM 818 CB LYS A 58 -0.534 -0.807 -9.874 1.00 0.00 C ATOM 819 CG LYS A 58 -1.080 -2.136 -9.381 1.00 0.00 C ATOM 820 CD LYS A 58 -0.732 -3.269 -10.332 1.00 0.00 C ATOM 821 CE LYS A 58 0.571 -3.947 -9.938 1.00 0.00 C ATOM 822 NZ LYS A 58 0.490 -4.558 -8.582 1.00 0.00 N ATOM 0 H LYS A 58 0.926 -0.825 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 58 1.486 -1.332 -9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.239 -0.017 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.465 -0.833 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.675 -2.352 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.163 -2.069 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.538 -4.003 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.649 -2.881 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.815 -4.717 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.381 -3.218 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.743 -5.565 -8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.149 -4.071 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.479 -4.465 -8.217 1.00 0.00 H new ATOM 836 N GLY A 59 2.327 1.453 -9.462 1.00 0.00 N ATOM 837 CA GLY A 59 2.988 2.552 -10.142 1.00 0.00 C ATOM 838 C GLY A 59 2.111 3.784 -10.239 1.00 0.00 C ATOM 839 O GLY A 59 2.172 4.521 -11.224 1.00 0.00 O ATOM 0 H GLY A 59 2.574 1.348 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.906 2.804 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.276 2.235 -11.144 1.00 0.00 H new ATOM 843 N ARG A 60 1.293 4.009 -9.216 1.00 0.00 N ATOM 844 CA ARG A 60 0.397 5.159 -9.192 1.00 0.00 C ATOM 845 C ARG A 60 0.258 5.710 -7.776 1.00 0.00 C ATOM 846 O ARG A 60 -0.131 4.991 -6.855 1.00 0.00 O ATOM 847 CB ARG A 60 -0.978 4.773 -9.739 1.00 0.00 C ATOM 848 CG ARG A 60 -1.124 4.995 -11.235 1.00 0.00 C ATOM 849 CD ARG A 60 -1.716 6.362 -11.541 1.00 0.00 C ATOM 850 NE ARG A 60 -2.057 6.508 -12.953 1.00 0.00 N ATOM 851 CZ ARG A 60 -2.975 7.356 -13.404 1.00 0.00 C ATOM 852 NH1 ARG A 60 -3.639 8.131 -12.558 1.00 0.00 N ATOM 853 NH2 ARG A 60 -3.229 7.431 -14.704 1.00 0.00 N ATOM 0 H ARG A 60 1.232 3.410 -8.393 1.00 0.00 H new ATOM 0 HA ARG A 60 0.826 5.936 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.166 3.723 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.742 5.351 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.149 4.904 -11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.761 4.219 -11.659 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.609 6.514 -10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.003 7.137 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.563 5.927 -13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.446 8.077 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.343 8.781 -12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.719 6.837 -15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.934 8.082 -15.049 1.00 0.00 H new ATOM 867 N TYR A 61 0.578 6.988 -7.610 1.00 0.00 N ATOM 868 CA TYR A 61 0.491 7.635 -6.306 1.00 0.00 C ATOM 869 C TYR A 61 -0.662 8.633 -6.268 1.00 0.00 C ATOM 870 O TYR A 61 -0.621 9.671 -6.928 1.00 0.00 O ATOM 871 CB TYR A 61 1.806 8.344 -5.977 1.00 0.00 C ATOM 872 CG TYR A 61 1.726 9.232 -4.756 1.00 0.00 C ATOM 873 CD1 TYR A 61 2.000 8.731 -3.489 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.376 10.572 -4.869 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.927 9.539 -2.370 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.302 11.387 -3.756 1.00 0.00 C ATOM 877 CZ TYR A 61 1.578 10.866 -2.509 1.00 0.00 C ATOM 878 OH TYR A 61 1.505 11.674 -1.397 1.00 0.00 O ATOM 0 H TYR A 61 0.900 7.597 -8.362 1.00 0.00 H new ATOM 0 HA TYR A 61 0.304 6.864 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.583 7.596 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.109 8.945 -6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.275 7.693 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.158 10.983 -5.844 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.142 9.134 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.029 12.427 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 61 2.094 11.322 -0.697 1.00 0.00 H new ATOM 888 N GLY A 62 -1.690 8.310 -5.490 1.00 0.00 N ATOM 889 CA GLY A 62 -2.841 9.188 -5.379 1.00 0.00 C ATOM 890 C GLY A 62 -3.630 8.951 -4.107 1.00 0.00 C ATOM 891 O GLY A 62 -3.240 8.139 -3.267 1.00 0.00 O ATOM 0 H GLY A 62 -1.747 7.456 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.507 10.225 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.492 9.039 -6.240 1.00 0.00 H new ATOM 895 N LEU A 63 -4.743 9.661 -3.963 1.00 0.00 N ATOM 896 CA LEU A 63 -5.590 9.526 -2.782 1.00 0.00 C ATOM 897 C LEU A 63 -6.475 8.288 -2.887 1.00 0.00 C ATOM 898 O LEU A 63 -6.950 7.940 -3.968 1.00 0.00 O ATOM 899 CB LEU A 63 -6.457 10.773 -2.607 1.00 0.00 C ATOM 900 CG LEU A 63 -5.817 11.934 -1.844 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.371 13.264 -2.332 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.042 11.777 -0.347 1.00 0.00 C ATOM 0 H LEU A 63 -5.081 10.336 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.943 9.416 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.748 11.130 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.372 10.485 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.744 11.920 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.904 14.078 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.157 13.379 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.449 13.289 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.580 12.612 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.112 11.764 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.596 10.842 -0.008 1.00 0.00 H new ATOM 914 N PHE A 64 -6.695 7.627 -1.755 1.00 0.00 N ATOM 915 CA PHE A 64 -7.524 6.428 -1.718 1.00 0.00 C ATOM 916 C PHE A 64 -8.063 6.182 -0.312 1.00 0.00 C ATOM 917 O PHE A 64 -7.382 6.407 0.689 1.00 0.00 O ATOM 918 CB PHE A 64 -6.722 5.213 -2.189 1.00 0.00 C ATOM 919 CG PHE A 64 -5.706 4.741 -1.189 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.096 4.022 -0.071 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.360 5.017 -1.367 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.162 3.587 0.850 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.421 4.585 -0.449 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.823 3.868 0.661 1.00 0.00 C ATOM 0 H PHE A 64 -6.311 7.902 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.369 6.580 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.410 4.397 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.214 5.462 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.141 3.799 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.040 5.577 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.479 3.027 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.375 4.808 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.092 3.528 1.380 1.00 0.00 H new ATOM 934 N PRO A 65 -9.315 5.710 -0.233 1.00 0.00 N ATOM 935 CA PRO A 65 -9.974 5.423 1.045 1.00 0.00 C ATOM 936 C PRO A 65 -9.369 4.214 1.750 1.00 0.00 C ATOM 937 O PRO A 65 -9.182 3.159 1.144 1.00 0.00 O ATOM 938 CB PRO A 65 -11.423 5.137 0.641 1.00 0.00 C ATOM 939 CG PRO A 65 -11.337 4.671 -0.772 1.00 0.00 C ATOM 940 CD PRO A 65 -10.185 5.419 -1.385 1.00 0.00 C ATOM 0 HA PRO A 65 -9.869 6.246 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.870 4.377 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.042 6.030 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.172 3.595 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.264 4.875 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.670 4.819 -2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.516 6.332 -1.879 1.00 0.00 H new ATOM 948 N ALA A 66 -9.066 4.374 3.034 1.00 0.00 N ATOM 949 CA ALA A 66 -8.485 3.294 3.823 1.00 0.00 C ATOM 950 C ALA A 66 -9.542 2.265 4.208 1.00 0.00 C ATOM 951 O ALA A 66 -9.240 1.265 4.858 1.00 0.00 O ATOM 952 CB ALA A 66 -7.812 3.853 5.067 1.00 0.00 C ATOM 0 H ALA A 66 -9.213 5.241 3.550 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.735 2.793 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.383 3.036 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.022 4.544 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.549 4.380 5.673 1.00 0.00 H new ATOM 958 N ASN A 67 -10.782 2.517 3.801 1.00 0.00 N ATOM 959 CA ASN A 67 -11.885 1.612 4.105 1.00 0.00 C ATOM 960 C ASN A 67 -11.910 0.439 3.130 1.00 0.00 C ATOM 961 O ASN A 67 -12.333 -0.664 3.480 1.00 0.00 O ATOM 962 CB ASN A 67 -13.217 2.362 4.053 1.00 0.00 C ATOM 963 CG ASN A 67 -13.338 3.403 5.150 1.00 0.00 C ATOM 964 OD1 ASN A 67 -12.887 3.190 6.275 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.949 4.536 4.825 1.00 0.00 N ATOM 0 H ASN A 67 -11.048 3.340 3.260 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.735 1.222 5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.320 2.847 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.036 1.648 4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.060 5.273 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.307 4.669 3.879 1.00 0.00 H new ATOM 972 N TYR A 68 -11.456 0.684 1.906 1.00 0.00 N ATOM 973 CA TYR A 68 -11.428 -0.351 0.880 1.00 0.00 C ATOM 974 C TYR A 68 -10.141 -1.166 0.962 1.00 0.00 C ATOM 975 O TYR A 68 -9.868 -2.006 0.105 1.00 0.00 O ATOM 976 CB TYR A 68 -11.560 0.276 -0.509 1.00 0.00 C ATOM 977 CG TYR A 68 -12.989 0.550 -0.917 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.689 1.628 -0.388 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.642 -0.269 -1.830 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.996 1.882 -0.757 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.948 -0.022 -2.206 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.621 1.054 -1.666 1.00 0.00 C ATOM 983 OH TYR A 68 -16.922 1.302 -2.037 1.00 0.00 O ATOM 0 H TYR A 68 -11.102 1.591 1.600 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.271 -1.020 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.999 1.210 -0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.103 -0.388 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.203 2.278 0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.119 -1.114 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.525 2.724 -0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.439 -0.668 -2.919 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.212 0.626 -2.685 1.00 0.00 H new ATOM 993 N VAL A 69 -9.352 -0.911 2.001 1.00 0.00 N ATOM 994 CA VAL A 69 -8.094 -1.621 2.199 1.00 0.00 C ATOM 995 C VAL A 69 -7.865 -1.933 3.673 1.00 0.00 C ATOM 996 O VAL A 69 -8.510 -1.355 4.547 1.00 0.00 O ATOM 997 CB VAL A 69 -6.900 -0.806 1.666 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.189 -0.289 0.266 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.575 0.341 2.611 1.00 0.00 C ATOM 0 H VAL A 69 -9.562 -0.218 2.719 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.166 -2.554 1.640 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.030 -1.460 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.335 0.284 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.369 -1.131 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.071 0.351 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.729 0.906 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.441 0.997 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.321 -0.058 3.593 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.942 -2.851 3.942 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.628 -3.240 5.312 1.00 0.00 C ATOM 1011 C GLU A 70 -5.121 -3.223 5.550 1.00 0.00 C ATOM 1012 O GLU A 70 -4.369 -3.947 4.897 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.187 -4.633 5.610 1.00 0.00 C ATOM 1014 CG GLU A 70 -7.113 -5.016 7.079 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.543 -6.448 7.330 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -7.186 -7.326 6.517 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -8.237 -6.691 8.339 1.00 0.00 O ATOM 0 H GLU A 70 -6.399 -3.339 3.230 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.093 -2.518 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.226 -4.676 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.638 -5.369 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.092 -4.879 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.746 -4.344 7.658 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.687 -2.390 6.490 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.269 -2.277 6.816 1.00 0.00 C ATOM 1026 C LEU A 71 -2.685 -3.636 7.187 1.00 0.00 C ATOM 1027 O LEU A 71 -3.327 -4.432 7.872 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.068 -1.291 7.968 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.353 0.178 7.652 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.646 0.952 8.928 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.181 0.800 6.906 1.00 0.00 C ATOM 0 H LEU A 71 -5.296 -1.783 7.039 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.747 -1.907 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.709 -1.595 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.038 -1.374 8.315 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.234 0.228 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.846 1.995 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.517 0.522 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.785 0.895 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.401 1.845 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.284 0.738 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.018 0.262 5.972 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.463 -3.894 6.732 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.792 -5.156 7.017 1.00 0.00 C ATOM 1045 C ARG A 72 0.274 -4.974 8.093 1.00 0.00 C ATOM 1046 O ARG A 72 0.910 -5.938 8.518 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.157 -5.720 5.745 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.168 -6.082 4.669 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.481 -6.471 3.369 1.00 0.00 C ATOM 1050 NE ARG A 72 0.212 -7.752 3.477 1.00 0.00 N ATOM 1051 CZ ARG A 72 -0.412 -8.924 3.514 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -1.735 -8.977 3.449 1.00 0.00 N ATOM 1053 NH2 ARG A 72 0.288 -10.047 3.614 1.00 0.00 N ATOM 0 H ARG A 72 -0.918 -3.245 6.164 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.538 -5.860 7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.543 -4.987 5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.422 -6.607 6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.789 -6.908 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.832 -5.236 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.221 -6.526 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.232 -5.696 3.090 1.00 0.00 H new ATOM 0 HE ARG A 72 1.231 -7.746 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.277 -8.116 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.211 -9.879 3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.306 -10.011 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.192 -10.946 3.642 1.00 0.00 H new ATOM 1067 N GLN A 73 0.463 -3.732 8.528 1.00 0.00 N ATOM 1068 CA GLN A 73 1.453 -3.425 9.553 1.00 0.00 C ATOM 1069 C GLN A 73 1.025 -3.980 10.907 1.00 0.00 C ATOM 1070 O GLN A 73 1.811 -4.624 11.602 1.00 0.00 O ATOM 1071 CB GLN A 73 1.663 -1.913 9.651 1.00 0.00 C ATOM 1072 CG GLN A 73 2.586 -1.356 8.579 1.00 0.00 C ATOM 1073 CD GLN A 73 4.002 -1.885 8.695 1.00 0.00 C ATOM 1074 OE1 GLN A 73 4.447 -2.685 7.873 1.00 0.00 O ATOM 1075 NE2 GLN A 73 4.719 -1.438 9.720 1.00 0.00 N ATOM 0 H GLN A 73 -0.056 -2.923 8.187 1.00 0.00 H new ATOM 0 HA GLN A 73 2.393 -3.898 9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.696 -1.415 9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.074 -1.674 10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.188 -1.607 7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.602 -0.268 8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.310 -0.775 10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.679 -1.758 9.849 1.00 0.00 H new ATOM 1084 N SER A 74 -0.226 -3.725 11.277 1.00 0.00 N ATOM 1085 CA SER A 74 -0.758 -4.195 12.551 1.00 0.00 C ATOM 1086 C SER A 74 -1.315 -5.609 12.418 1.00 0.00 C ATOM 1087 O SER A 74 -0.847 -6.537 13.077 1.00 0.00 O ATOM 1088 CB SER A 74 -1.851 -3.249 13.052 1.00 0.00 C ATOM 1089 OG SER A 74 -1.296 -2.039 13.536 1.00 0.00 O ATOM 0 H SER A 74 -0.890 -3.195 10.712 1.00 0.00 H new ATOM 0 HA SER A 74 0.058 -4.211 13.274 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.549 -3.034 12.243 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.421 -3.734 13.845 1.00 0.00 H new ATOM 0 HG SER A 74 -2.015 -1.451 13.849 1.00 0.00 H new ATOM 1095 N GLY A 75 -2.319 -5.765 11.560 1.00 0.00 N ATOM 1096 CA GLY A 75 -2.924 -7.068 11.355 1.00 0.00 C ATOM 1097 C GLY A 75 -3.584 -7.605 12.610 1.00 0.00 C ATOM 1098 O GLY A 75 -3.013 -8.416 13.339 1.00 0.00 O ATOM 0 H GLY A 75 -2.724 -5.012 11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.666 -7.000 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.161 -7.771 11.020 1.00 0.00 H new ATOM 1102 N PRO A 76 -4.816 -7.146 12.877 1.00 0.00 N ATOM 1103 CA PRO A 76 -5.580 -7.570 14.054 1.00 0.00 C ATOM 1104 C PRO A 76 -6.036 -9.022 13.956 1.00 0.00 C ATOM 1105 O PRO A 76 -6.296 -9.529 12.865 1.00 0.00 O ATOM 1106 CB PRO A 76 -6.788 -6.630 14.050 1.00 0.00 C ATOM 1107 CG PRO A 76 -6.946 -6.221 12.626 1.00 0.00 C ATOM 1108 CD PRO A 76 -5.557 -6.178 12.051 1.00 0.00 C ATOM 0 HA PRO A 76 -4.985 -7.519 14.966 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.682 -7.133 14.419 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.620 -5.766 14.693 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.571 -6.930 12.083 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.430 -5.247 12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.549 -6.459 10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.125 -5.179 12.117 1.00 0.00 H new ATOM 1116 N SER A 77 -6.131 -9.687 15.103 1.00 0.00 N ATOM 1117 CA SER A 77 -6.552 -11.082 15.146 1.00 0.00 C ATOM 1118 C SER A 77 -8.053 -11.204 14.902 1.00 0.00 C ATOM 1119 O SER A 77 -8.577 -12.304 14.723 1.00 0.00 O ATOM 1120 CB SER A 77 -6.191 -11.705 16.496 1.00 0.00 C ATOM 1121 OG SER A 77 -6.939 -11.117 17.546 1.00 0.00 O ATOM 0 H SER A 77 -5.922 -9.282 16.015 1.00 0.00 H new ATOM 0 HA SER A 77 -6.028 -11.618 14.355 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.381 -12.778 16.467 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.126 -11.575 16.687 1.00 0.00 H new ATOM 0 HG SER A 77 -6.691 -11.534 18.398 1.00 0.00 H new ATOM 1127 N SER A 78 -8.740 -10.066 14.898 1.00 0.00 N ATOM 1128 CA SER A 78 -10.182 -10.044 14.680 1.00 0.00 C ATOM 1129 C SER A 78 -10.537 -9.173 13.479 1.00 0.00 C ATOM 1130 O SER A 78 -10.944 -8.023 13.631 1.00 0.00 O ATOM 1131 CB SER A 78 -10.899 -9.528 15.929 1.00 0.00 C ATOM 1132 OG SER A 78 -10.489 -8.208 16.244 1.00 0.00 O ATOM 0 H SER A 78 -8.321 -9.147 15.043 1.00 0.00 H new ATOM 0 HA SER A 78 -10.510 -11.063 14.476 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.977 -9.549 15.768 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.690 -10.188 16.771 1.00 0.00 H new ATOM 0 HG SER A 78 -10.635 -7.626 15.469 1.00 0.00 H new ATOM 1138 N GLY A 79 -10.378 -9.732 12.283 1.00 0.00 N ATOM 1139 CA GLY A 79 -10.685 -8.994 11.072 1.00 0.00 C ATOM 1140 C GLY A 79 -10.782 -9.892 9.854 1.00 0.00 C ATOM 1141 O GLY A 79 -10.001 -9.758 8.913 1.00 0.00 O ATOM 0 H GLY A 79 -10.042 -10.683 12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.627 -8.462 11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.915 -8.241 10.904 1.00 0.00 H new TER 1145 GLY A 79