USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 790 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+ 180:sc= 0 (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 140:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0415) USER MOD Single : A 10 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.77) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -2.07 X(o=-2.1,f=-1.9!) USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= 0.294 (180deg=0) USER MOD Single : A 20 CYS SG : rot 27:sc= -3.69! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 130:sc= -4.16! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.473) USER MOD Single : A 72 ASN : amide:sc= -1.03 K(o=-1,f=-3.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= 0.44 (180deg=0.128) USER MOD Single : A 85 MET CE :methyl -138:sc= -0.382 (180deg=-1.67!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.156 -20.624 15.123 1.00 0.00 N ATOM 2 CA GLY A 1 -1.128 -19.597 14.095 1.00 0.00 C ATOM 3 C GLY A 1 -2.279 -18.606 14.278 1.00 0.00 C ATOM 4 O GLY A 1 -3.445 -18.972 14.142 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.365 -21.283 14.977 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.068 -20.180 16.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.055 -21.144 15.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.177 -19.066 14.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.196 -20.061 13.111 1.00 0.00 H new ATOM 8 N SER A 2 -1.911 -17.370 14.583 1.00 0.00 N ATOM 9 CA SER A 2 -2.899 -16.324 14.785 1.00 0.00 C ATOM 10 C SER A 2 -2.301 -14.963 14.422 1.00 0.00 C ATOM 11 O SER A 2 -1.543 -14.386 15.201 1.00 0.00 O ATOM 12 CB SER A 2 -3.403 -16.314 16.230 1.00 0.00 C ATOM 13 OG SER A 2 -4.815 -16.138 16.302 1.00 0.00 O ATOM 0 H SER A 2 -0.943 -17.070 14.695 1.00 0.00 H new ATOM 0 HA SER A 2 -3.749 -16.526 14.134 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.129 -17.251 16.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.909 -15.513 16.781 1.00 0.00 H new ATOM 0 HG SER A 2 -5.097 -16.139 17.240 1.00 0.00 H new ATOM 19 N SER A 3 -2.665 -14.489 13.240 1.00 0.00 N ATOM 20 CA SER A 3 -2.175 -13.207 12.764 1.00 0.00 C ATOM 21 C SER A 3 -3.085 -12.677 11.655 1.00 0.00 C ATOM 22 O SER A 3 -3.743 -11.652 11.823 1.00 0.00 O ATOM 23 CB SER A 3 -0.735 -13.320 12.260 1.00 0.00 C ATOM 24 OG SER A 3 -0.211 -12.060 11.851 1.00 0.00 O ATOM 0 H SER A 3 -3.294 -14.970 12.597 1.00 0.00 H new ATOM 0 HA SER A 3 -2.185 -12.506 13.599 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.107 -13.735 13.048 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.698 -14.017 11.423 1.00 0.00 H new ATOM 0 HG SER A 3 0.710 -12.175 11.538 1.00 0.00 H new ATOM 30 N GLY A 4 -3.094 -13.400 10.544 1.00 0.00 N ATOM 31 CA GLY A 4 -3.912 -13.016 9.407 1.00 0.00 C ATOM 32 C GLY A 4 -3.052 -12.799 8.160 1.00 0.00 C ATOM 33 O GLY A 4 -2.039 -13.472 7.977 1.00 0.00 O ATOM 0 H GLY A 4 -2.547 -14.250 10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.654 -13.790 9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.458 -12.102 9.640 1.00 0.00 H new ATOM 37 N SER A 5 -3.488 -11.858 7.336 1.00 0.00 N ATOM 38 CA SER A 5 -2.771 -11.545 6.112 1.00 0.00 C ATOM 39 C SER A 5 -1.333 -11.135 6.438 1.00 0.00 C ATOM 40 O SER A 5 -0.929 -11.146 7.600 1.00 0.00 O ATOM 41 CB SER A 5 -3.475 -10.434 5.330 1.00 0.00 C ATOM 42 OG SER A 5 -3.033 -9.139 5.728 1.00 0.00 O ATOM 0 H SER A 5 -4.329 -11.302 7.492 1.00 0.00 H new ATOM 0 HA SER A 5 -2.755 -12.438 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.291 -10.568 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.552 -10.512 5.480 1.00 0.00 H new ATOM 0 HG SER A 5 -2.942 -8.567 4.937 1.00 0.00 H new ATOM 48 N SER A 6 -0.600 -10.784 5.392 1.00 0.00 N ATOM 49 CA SER A 6 0.784 -10.372 5.553 1.00 0.00 C ATOM 50 C SER A 6 1.278 -9.688 4.276 1.00 0.00 C ATOM 51 O SER A 6 1.603 -8.502 4.289 1.00 0.00 O ATOM 52 CB SER A 6 1.678 -11.566 5.895 1.00 0.00 C ATOM 53 OG SER A 6 2.422 -11.350 7.091 1.00 0.00 O ATOM 0 H SER A 6 -0.938 -10.776 4.430 1.00 0.00 H new ATOM 0 HA SER A 6 0.836 -9.665 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.063 -12.459 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.365 -11.753 5.069 1.00 0.00 H new ATOM 0 HG SER A 6 2.979 -12.135 7.276 1.00 0.00 H new ATOM 59 N GLY A 7 1.319 -10.466 3.204 1.00 0.00 N ATOM 60 CA GLY A 7 1.768 -9.950 1.922 1.00 0.00 C ATOM 61 C GLY A 7 0.782 -8.918 1.371 1.00 0.00 C ATOM 62 O GLY A 7 1.165 -7.789 1.067 1.00 0.00 O ATOM 0 H GLY A 7 1.049 -11.450 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.752 -9.495 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.875 -10.771 1.213 1.00 0.00 H new ATOM 66 N LEU A 8 -0.468 -9.342 1.259 1.00 0.00 N ATOM 67 CA LEU A 8 -1.511 -8.468 0.750 1.00 0.00 C ATOM 68 C LEU A 8 -1.331 -7.068 1.339 1.00 0.00 C ATOM 69 O LEU A 8 -1.209 -6.091 0.601 1.00 0.00 O ATOM 70 CB LEU A 8 -2.892 -9.073 1.013 1.00 0.00 C ATOM 71 CG LEU A 8 -3.257 -10.300 0.175 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.593 -10.894 0.626 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.254 -9.965 -1.318 1.00 0.00 C ATOM 0 H LEU A 8 -0.782 -10.279 1.512 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.431 -8.371 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.953 -9.346 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.643 -8.303 0.840 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.495 -11.062 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.829 -11.765 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.524 -11.193 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.379 -10.148 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.517 -10.854 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.982 -9.178 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.262 -9.624 -1.612 1.00 0.00 H new ATOM 85 N LYS A 9 -1.320 -7.015 2.663 1.00 0.00 N ATOM 86 CA LYS A 9 -1.157 -5.750 3.360 1.00 0.00 C ATOM 87 C LYS A 9 -0.036 -4.948 2.695 1.00 0.00 C ATOM 88 O LYS A 9 -0.233 -3.792 2.322 1.00 0.00 O ATOM 89 CB LYS A 9 -0.940 -5.987 4.856 1.00 0.00 C ATOM 90 CG LYS A 9 -1.520 -4.837 5.682 1.00 0.00 C ATOM 91 CD LYS A 9 -0.437 -4.178 6.539 1.00 0.00 C ATOM 92 CE LYS A 9 0.032 -2.863 5.913 1.00 0.00 C ATOM 93 NZ LYS A 9 1.110 -2.257 6.727 1.00 0.00 N ATOM 0 H LYS A 9 -1.421 -7.827 3.271 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.066 -5.153 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.410 -6.925 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.126 -6.086 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.965 -4.096 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.319 -5.211 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.825 -3.990 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.410 -4.856 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.391 -3.043 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.806 -2.171 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.265 -1.275 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.836 -2.269 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.988 -2.801 6.601 1.00 0.00 H new ATOM 107 N GLN A 10 1.114 -5.592 2.568 1.00 0.00 N ATOM 108 CA GLN A 10 2.266 -4.953 1.954 1.00 0.00 C ATOM 109 C GLN A 10 1.964 -4.599 0.497 1.00 0.00 C ATOM 110 O GLN A 10 2.228 -3.481 0.058 1.00 0.00 O ATOM 111 CB GLN A 10 3.506 -5.843 2.057 1.00 0.00 C ATOM 112 CG GLN A 10 4.746 -5.017 2.407 1.00 0.00 C ATOM 113 CD GLN A 10 5.816 -5.148 1.322 1.00 0.00 C ATOM 114 OE1 GLN A 10 5.990 -6.187 0.707 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.522 -4.038 1.121 1.00 0.00 N ATOM 0 H GLN A 10 1.273 -6.550 2.880 1.00 0.00 H new ATOM 0 HA GLN A 10 2.476 -4.030 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.347 -6.607 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.665 -6.362 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.468 -3.970 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.150 -5.349 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.325 -3.202 1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.260 -4.023 0.417 1.00 0.00 H new ATOM 124 N LYS A 11 1.414 -5.574 -0.213 1.00 0.00 N ATOM 125 CA LYS A 11 1.073 -5.380 -1.612 1.00 0.00 C ATOM 126 C LYS A 11 0.218 -4.119 -1.754 1.00 0.00 C ATOM 127 O LYS A 11 0.600 -3.180 -2.452 1.00 0.00 O ATOM 128 CB LYS A 11 0.413 -6.637 -2.182 1.00 0.00 C ATOM 129 CG LYS A 11 1.446 -7.743 -2.410 1.00 0.00 C ATOM 130 CD LYS A 11 0.853 -9.119 -2.100 1.00 0.00 C ATOM 131 CE LYS A 11 0.970 -10.050 -3.309 1.00 0.00 C ATOM 132 NZ LYS A 11 -0.197 -9.887 -4.204 1.00 0.00 N ATOM 0 H LYS A 11 1.196 -6.500 0.155 1.00 0.00 H new ATOM 0 HA LYS A 11 1.974 -5.224 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.358 -6.990 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.082 -6.397 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.791 -7.716 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.317 -7.568 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.370 -9.558 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.195 -9.013 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.888 -9.833 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.036 -11.085 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.101 -10.526 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.068 -10.117 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.243 -8.903 -4.539 1.00 0.00 H new ATOM 146 N VAL A 12 -0.923 -4.137 -1.081 1.00 0.00 N ATOM 147 CA VAL A 12 -1.835 -3.007 -1.123 1.00 0.00 C ATOM 148 C VAL A 12 -1.088 -1.738 -0.707 1.00 0.00 C ATOM 149 O VAL A 12 -1.407 -0.645 -1.172 1.00 0.00 O ATOM 150 CB VAL A 12 -3.061 -3.291 -0.253 1.00 0.00 C ATOM 151 CG1 VAL A 12 -4.076 -2.149 -0.345 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.704 -4.627 -0.631 1.00 0.00 C ATOM 0 H VAL A 12 -1.237 -4.917 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.202 -2.850 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.728 -3.360 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.938 -2.376 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.613 -1.223 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.401 -2.033 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.573 -4.805 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.016 -4.598 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.982 -5.431 -0.490 1.00 0.00 H new ATOM 162 N GLU A 13 -0.108 -1.926 0.165 1.00 0.00 N ATOM 163 CA GLU A 13 0.687 -0.810 0.649 1.00 0.00 C ATOM 164 C GLU A 13 1.326 -0.065 -0.524 1.00 0.00 C ATOM 165 O GLU A 13 1.006 1.096 -0.775 1.00 0.00 O ATOM 166 CB GLU A 13 1.750 -1.285 1.642 1.00 0.00 C ATOM 167 CG GLU A 13 1.665 -0.501 2.953 1.00 0.00 C ATOM 168 CD GLU A 13 2.371 0.851 2.830 1.00 0.00 C ATOM 169 OE1 GLU A 13 1.712 1.792 2.338 1.00 0.00 O ATOM 170 OE2 GLU A 13 3.553 0.913 3.231 1.00 0.00 O ATOM 0 H GLU A 13 0.153 -2.834 0.549 1.00 0.00 H new ATOM 0 HA GLU A 13 0.027 -0.120 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.618 -2.348 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.741 -1.163 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.620 -0.346 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.118 -1.080 3.757 1.00 0.00 H new ATOM 177 N ASN A 14 2.217 -0.763 -1.212 1.00 0.00 N ATOM 178 CA ASN A 14 2.904 -0.182 -2.353 1.00 0.00 C ATOM 179 C ASN A 14 1.872 0.387 -3.329 1.00 0.00 C ATOM 180 O ASN A 14 2.068 1.465 -3.888 1.00 0.00 O ATOM 181 CB ASN A 14 3.726 -1.236 -3.097 1.00 0.00 C ATOM 182 CG ASN A 14 5.214 -1.107 -2.763 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.983 -0.477 -3.471 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.575 -1.736 -1.648 1.00 0.00 N ATOM 0 H ASN A 14 2.479 -1.726 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 14 3.568 0.599 -1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.374 -2.232 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.580 -1.125 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.547 -1.709 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.880 -2.245 -1.102 1.00 0.00 H new ATOM 191 N LEU A 15 0.794 -0.364 -3.504 1.00 0.00 N ATOM 192 CA LEU A 15 -0.270 0.052 -4.402 1.00 0.00 C ATOM 193 C LEU A 15 -0.595 1.526 -4.153 1.00 0.00 C ATOM 194 O LEU A 15 -0.370 2.370 -5.019 1.00 0.00 O ATOM 195 CB LEU A 15 -1.479 -0.875 -4.267 1.00 0.00 C ATOM 196 CG LEU A 15 -2.848 -0.231 -4.496 1.00 0.00 C ATOM 197 CD1 LEU A 15 -2.970 0.304 -5.924 1.00 0.00 C ATOM 198 CD2 LEU A 15 -3.977 -1.204 -4.150 1.00 0.00 C ATOM 0 H LEU A 15 0.635 -1.258 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 15 0.053 -0.033 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.363 -1.696 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.467 -1.311 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.941 0.622 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.952 0.757 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.198 1.053 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.847 -0.516 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.939 -0.721 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.899 -2.091 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.899 -1.494 -3.102 1.00 0.00 H new ATOM 210 N PHE A 16 -1.119 1.791 -2.965 1.00 0.00 N ATOM 211 CA PHE A 16 -1.477 3.149 -2.592 1.00 0.00 C ATOM 212 C PHE A 16 -0.294 4.100 -2.781 1.00 0.00 C ATOM 213 O PHE A 16 -0.383 5.064 -3.539 1.00 0.00 O ATOM 214 CB PHE A 16 -1.860 3.119 -1.110 1.00 0.00 C ATOM 215 CG PHE A 16 -3.083 2.253 -0.801 1.00 0.00 C ATOM 216 CD1 PHE A 16 -4.122 2.206 -1.677 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.130 1.529 0.350 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.257 1.402 -1.390 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.265 0.726 0.637 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.305 0.679 -0.239 1.00 0.00 C ATOM 0 H PHE A 16 -1.304 1.089 -2.249 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.296 3.503 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.012 2.751 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.055 4.138 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.084 2.780 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.304 1.565 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.082 1.365 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.303 0.152 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.168 0.068 -0.020 1.00 0.00 H new ATOM 230 N ASN A 17 0.787 3.795 -2.079 1.00 0.00 N ATOM 231 CA ASN A 17 1.987 4.611 -2.160 1.00 0.00 C ATOM 232 C ASN A 17 2.248 4.982 -3.622 1.00 0.00 C ATOM 233 O ASN A 17 2.390 6.159 -3.951 1.00 0.00 O ATOM 234 CB ASN A 17 3.208 3.849 -1.641 1.00 0.00 C ATOM 235 CG ASN A 17 3.331 3.981 -0.122 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.528 3.468 0.639 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.380 4.696 0.275 1.00 0.00 N ATOM 0 H ASN A 17 0.857 2.994 -1.451 1.00 0.00 H new ATOM 0 HA ASN A 17 1.831 5.501 -1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.127 2.797 -1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.110 4.233 -2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.550 4.842 1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.014 5.098 -0.416 1.00 0.00 H new ATOM 244 N GLU A 18 2.303 3.957 -4.459 1.00 0.00 N ATOM 245 CA GLU A 18 2.544 4.160 -5.877 1.00 0.00 C ATOM 246 C GLU A 18 1.514 5.131 -6.456 1.00 0.00 C ATOM 247 O GLU A 18 1.869 6.209 -6.930 1.00 0.00 O ATOM 248 CB GLU A 18 2.530 2.830 -6.632 1.00 0.00 C ATOM 249 CG GLU A 18 3.949 2.394 -7.003 1.00 0.00 C ATOM 250 CD GLU A 18 4.149 2.413 -8.520 1.00 0.00 C ATOM 251 OE1 GLU A 18 3.669 3.384 -9.144 1.00 0.00 O ATOM 252 OE2 GLU A 18 4.779 1.457 -9.021 1.00 0.00 O ATOM 0 H GLU A 18 2.185 2.982 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 18 3.535 4.597 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.060 2.063 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.928 2.927 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.673 3.057 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.137 1.391 -6.620 1.00 0.00 H new ATOM 259 N LYS A 19 0.258 4.714 -6.400 1.00 0.00 N ATOM 260 CA LYS A 19 -0.827 5.534 -6.913 1.00 0.00 C ATOM 261 C LYS A 19 -0.586 6.994 -6.524 1.00 0.00 C ATOM 262 O LYS A 19 -0.700 7.889 -7.359 1.00 0.00 O ATOM 263 CB LYS A 19 -2.178 4.988 -6.447 1.00 0.00 C ATOM 264 CG LYS A 19 -2.437 3.596 -7.026 1.00 0.00 C ATOM 265 CD LYS A 19 -2.551 3.649 -8.551 1.00 0.00 C ATOM 266 CE LYS A 19 -3.814 2.932 -9.031 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.747 2.685 -10.489 1.00 0.00 N ATOM 0 H LYS A 19 -0.033 3.819 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.852 5.494 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.200 4.942 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.974 5.667 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.628 2.924 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.355 3.187 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.570 4.687 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.673 3.187 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.926 1.986 -8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.692 3.534 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.386 3.341 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.773 2.834 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.035 1.706 -10.689 1.00 0.00 H new ATOM 281 N CYS A 20 -0.257 7.188 -5.255 1.00 0.00 N ATOM 282 CA CYS A 20 0.001 8.524 -4.745 1.00 0.00 C ATOM 283 C CYS A 20 0.965 9.226 -5.703 1.00 0.00 C ATOM 284 O CYS A 20 0.588 10.184 -6.377 1.00 0.00 O ATOM 285 CB CYS A 20 0.543 8.488 -3.315 1.00 0.00 C ATOM 286 SG CYS A 20 -0.747 9.041 -2.142 1.00 0.00 S ATOM 0 H CYS A 20 -0.163 6.442 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.933 9.084 -4.696 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.864 7.477 -3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.420 9.131 -3.233 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.922 8.796 -2.642 1.00 0.00 H new ATOM 292 N GLY A 21 2.190 8.722 -5.734 1.00 0.00 N ATOM 293 CA GLY A 21 3.211 9.290 -6.599 1.00 0.00 C ATOM 294 C GLY A 21 2.665 9.525 -8.009 1.00 0.00 C ATOM 295 O GLY A 21 2.867 10.592 -8.586 1.00 0.00 O ATOM 0 H GLY A 21 2.499 7.927 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.565 10.232 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.069 8.619 -6.644 1.00 0.00 H new ATOM 299 N GLU A 22 1.986 8.510 -8.523 1.00 0.00 N ATOM 300 CA GLU A 22 1.411 8.593 -9.855 1.00 0.00 C ATOM 301 C GLU A 22 0.367 9.710 -9.913 1.00 0.00 C ATOM 302 O GLU A 22 0.183 10.339 -10.954 1.00 0.00 O ATOM 303 CB GLU A 22 0.804 7.253 -10.275 1.00 0.00 C ATOM 304 CG GLU A 22 1.708 6.531 -11.276 1.00 0.00 C ATOM 305 CD GLU A 22 1.002 6.352 -12.622 1.00 0.00 C ATOM 306 OE1 GLU A 22 0.992 7.337 -13.392 1.00 0.00 O ATOM 307 OE2 GLU A 22 0.489 5.235 -12.850 1.00 0.00 O ATOM 0 H GLU A 22 1.821 7.626 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 22 2.208 8.830 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.655 6.626 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.178 7.418 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.628 7.099 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.992 5.557 -10.878 1.00 0.00 H new ATOM 314 N ALA A 23 -0.290 9.923 -8.782 1.00 0.00 N ATOM 315 CA ALA A 23 -1.311 10.953 -8.692 1.00 0.00 C ATOM 316 C ALA A 23 -0.682 12.315 -8.990 1.00 0.00 C ATOM 317 O ALA A 23 -1.257 13.122 -9.719 1.00 0.00 O ATOM 318 CB ALA A 23 -1.965 10.903 -7.310 1.00 0.00 C ATOM 0 H ALA A 23 -0.135 9.400 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.095 10.783 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.731 11.675 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.422 9.925 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.209 11.073 -6.543 1.00 0.00 H new ATOM 324 N LEU A 24 0.490 12.530 -8.411 1.00 0.00 N ATOM 325 CA LEU A 24 1.203 13.781 -8.606 1.00 0.00 C ATOM 326 C LEU A 24 1.844 13.787 -9.995 1.00 0.00 C ATOM 327 O LEU A 24 2.250 14.837 -10.491 1.00 0.00 O ATOM 328 CB LEU A 24 2.200 14.013 -7.468 1.00 0.00 C ATOM 329 CG LEU A 24 1.593 14.332 -6.100 1.00 0.00 C ATOM 330 CD1 LEU A 24 0.803 15.642 -6.143 1.00 0.00 C ATOM 331 CD2 LEU A 24 0.743 13.166 -5.592 1.00 0.00 C ATOM 0 H LEU A 24 0.964 11.859 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 24 0.511 14.623 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.822 13.123 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.860 14.833 -7.751 1.00 0.00 H new ATOM 0 HG LEU A 24 2.407 14.470 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.382 15.846 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.467 16.458 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.003 15.557 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.323 13.419 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.066 12.972 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.365 12.276 -5.499 1.00 0.00 H new ATOM 343 N GLY A 25 1.916 12.602 -10.584 1.00 0.00 N ATOM 344 CA GLY A 25 2.501 12.457 -11.906 1.00 0.00 C ATOM 345 C GLY A 25 3.953 11.984 -11.815 1.00 0.00 C ATOM 346 O GLY A 25 4.765 12.289 -12.687 1.00 0.00 O ATOM 0 H GLY A 25 1.579 11.733 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.918 11.744 -12.489 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.458 13.410 -12.433 1.00 0.00 H new ATOM 350 N LEU A 26 4.235 11.246 -10.751 1.00 0.00 N ATOM 351 CA LEU A 26 5.575 10.728 -10.534 1.00 0.00 C ATOM 352 C LEU A 26 5.649 9.287 -11.044 1.00 0.00 C ATOM 353 O LEU A 26 4.626 8.688 -11.370 1.00 0.00 O ATOM 354 CB LEU A 26 5.979 10.882 -9.066 1.00 0.00 C ATOM 355 CG LEU A 26 5.904 12.299 -8.495 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.128 12.293 -6.982 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.879 13.233 -9.215 1.00 0.00 C ATOM 0 H LEU A 26 3.558 10.995 -10.030 1.00 0.00 H new ATOM 0 HA LEU A 26 6.303 11.306 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.341 10.235 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.000 10.519 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 26 4.900 12.685 -8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.070 13.313 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.362 11.683 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.112 11.879 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.805 14.234 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.896 12.861 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.631 13.270 -10.276 1.00 0.00 H new ATOM 369 N LYS A 27 6.869 8.774 -11.097 1.00 0.00 N ATOM 370 CA LYS A 27 7.090 7.415 -11.562 1.00 0.00 C ATOM 371 C LYS A 27 7.567 6.551 -10.392 1.00 0.00 C ATOM 372 O LYS A 27 8.040 5.434 -10.594 1.00 0.00 O ATOM 373 CB LYS A 27 8.041 7.406 -12.760 1.00 0.00 C ATOM 374 CG LYS A 27 7.347 7.942 -14.015 1.00 0.00 C ATOM 375 CD LYS A 27 8.321 8.742 -14.881 1.00 0.00 C ATOM 376 CE LYS A 27 8.970 7.852 -15.942 1.00 0.00 C ATOM 377 NZ LYS A 27 10.018 8.598 -16.675 1.00 0.00 N ATOM 0 H LYS A 27 7.715 9.275 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 27 6.158 6.980 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.918 8.014 -12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.394 6.391 -12.941 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.939 7.112 -14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.506 8.574 -13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.793 9.564 -15.364 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.093 9.185 -14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.405 6.971 -15.470 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.212 7.497 -16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.448 7.979 -17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.593 9.425 -17.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.750 8.915 -16.007 1.00 0.00 H new ATOM 391 N GLN A 28 7.425 7.102 -9.196 1.00 0.00 N ATOM 392 CA GLN A 28 7.836 6.396 -7.994 1.00 0.00 C ATOM 393 C GLN A 28 6.690 6.365 -6.979 1.00 0.00 C ATOM 394 O GLN A 28 5.596 6.850 -7.259 1.00 0.00 O ATOM 395 CB GLN A 28 9.089 7.030 -7.386 1.00 0.00 C ATOM 396 CG GLN A 28 8.845 8.499 -7.035 1.00 0.00 C ATOM 397 CD GLN A 28 10.142 9.181 -6.598 1.00 0.00 C ATOM 398 OE1 GLN A 28 10.625 9.004 -5.491 1.00 0.00 O ATOM 399 NE2 GLN A 28 10.678 9.970 -7.525 1.00 0.00 N ATOM 0 H GLN A 28 7.031 8.029 -9.033 1.00 0.00 H new ATOM 0 HA GLN A 28 8.084 5.370 -8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.380 6.482 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.918 6.953 -8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.430 9.019 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.107 8.568 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.222 10.074 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.545 10.471 -7.329 1.00 0.00 H new ATOM 408 N ALA A 29 6.983 5.788 -5.823 1.00 0.00 N ATOM 409 CA ALA A 29 5.991 5.687 -4.766 1.00 0.00 C ATOM 410 C ALA A 29 6.181 6.843 -3.782 1.00 0.00 C ATOM 411 O ALA A 29 7.300 7.309 -3.575 1.00 0.00 O ATOM 412 CB ALA A 29 6.105 4.320 -4.088 1.00 0.00 C ATOM 0 H ALA A 29 7.892 5.386 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 29 4.984 5.765 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.361 4.244 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.933 3.534 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.102 4.207 -3.662 1.00 0.00 H new ATOM 418 N VAL A 30 5.070 7.272 -3.201 1.00 0.00 N ATOM 419 CA VAL A 30 5.100 8.365 -2.244 1.00 0.00 C ATOM 420 C VAL A 30 4.155 8.047 -1.084 1.00 0.00 C ATOM 421 O VAL A 30 2.961 7.837 -1.290 1.00 0.00 O ATOM 422 CB VAL A 30 4.764 9.683 -2.944 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.994 10.874 -2.011 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.567 9.837 -4.237 1.00 0.00 C ATOM 0 H VAL A 30 4.143 6.882 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 30 6.100 8.480 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 30 3.706 9.663 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.748 11.798 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.359 10.774 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.039 10.899 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.309 10.782 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.632 9.825 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.332 9.014 -4.911 1.00 0.00 H new ATOM 434 N LYS A 31 4.726 8.020 0.112 1.00 0.00 N ATOM 435 CA LYS A 31 3.949 7.731 1.306 1.00 0.00 C ATOM 436 C LYS A 31 2.589 8.425 1.204 1.00 0.00 C ATOM 437 O LYS A 31 2.519 9.643 1.052 1.00 0.00 O ATOM 438 CB LYS A 31 4.738 8.106 2.562 1.00 0.00 C ATOM 439 CG LYS A 31 4.598 7.028 3.639 1.00 0.00 C ATOM 440 CD LYS A 31 3.326 7.239 4.463 1.00 0.00 C ATOM 441 CE LYS A 31 3.027 6.016 5.332 1.00 0.00 C ATOM 442 NZ LYS A 31 2.438 6.430 6.625 1.00 0.00 N ATOM 0 H LYS A 31 5.717 8.193 0.280 1.00 0.00 H new ATOM 0 HA LYS A 31 3.756 6.661 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.790 8.238 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.381 9.060 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.574 6.043 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.468 7.049 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.440 8.120 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.485 7.431 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.340 5.350 4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.944 5.454 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.241 5.588 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.106 7.047 7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.552 6.947 6.453 1.00 0.00 H new ATOM 456 N VAL A 32 1.541 7.618 1.292 1.00 0.00 N ATOM 457 CA VAL A 32 0.187 8.139 1.213 1.00 0.00 C ATOM 458 C VAL A 32 -0.071 9.061 2.406 1.00 0.00 C ATOM 459 O VAL A 32 -0.131 8.604 3.546 1.00 0.00 O ATOM 460 CB VAL A 32 -0.813 6.985 1.121 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.248 7.488 1.294 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.653 6.225 -0.197 1.00 0.00 C ATOM 0 H VAL A 32 1.603 6.608 1.417 1.00 0.00 H new ATOM 0 HA VAL A 32 0.059 8.735 0.309 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.601 6.292 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.939 6.648 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.352 7.963 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.477 8.212 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.376 5.410 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.826 6.904 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.356 5.819 -0.262 1.00 0.00 H new ATOM 472 N PRO A 33 -0.222 10.376 2.095 1.00 0.00 N ATOM 473 CA PRO A 33 -0.473 11.366 3.128 1.00 0.00 C ATOM 474 C PRO A 33 -1.917 11.283 3.628 1.00 0.00 C ATOM 475 O PRO A 33 -2.643 12.275 3.606 1.00 0.00 O ATOM 476 CB PRO A 33 -0.144 12.702 2.482 1.00 0.00 C ATOM 477 CG PRO A 33 -0.170 12.456 0.982 1.00 0.00 C ATOM 478 CD PRO A 33 -0.158 10.953 0.755 1.00 0.00 C ATOM 0 HA PRO A 33 0.136 11.209 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.871 13.463 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.834 13.061 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.060 12.902 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.692 12.921 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.006 10.637 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.745 10.639 0.231 1.00 0.00 H new ATOM 486 N PHE A 34 -2.289 10.090 4.068 1.00 0.00 N ATOM 487 CA PHE A 34 -3.633 9.865 4.572 1.00 0.00 C ATOM 488 C PHE A 34 -4.129 11.072 5.370 1.00 0.00 C ATOM 489 O PHE A 34 -5.300 11.439 5.284 1.00 0.00 O ATOM 490 CB PHE A 34 -3.565 8.649 5.499 1.00 0.00 C ATOM 491 CG PHE A 34 -3.526 7.308 4.764 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.679 6.744 4.315 1.00 0.00 C ATOM 493 CD2 PHE A 34 -2.337 6.679 4.559 1.00 0.00 C ATOM 494 CE1 PHE A 34 -4.643 5.499 3.633 1.00 0.00 C ATOM 495 CE2 PHE A 34 -2.300 5.434 3.876 1.00 0.00 C ATOM 496 CZ PHE A 34 -3.454 4.871 3.428 1.00 0.00 C ATOM 0 H PHE A 34 -1.683 9.269 4.086 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.320 9.706 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.678 8.733 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.429 8.663 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.623 7.243 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.421 7.126 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.559 5.051 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.356 4.935 3.713 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.426 3.924 2.909 1.00 0.00 H new ATOM 506 N ALA A 35 -3.213 11.656 6.129 1.00 0.00 N ATOM 507 CA ALA A 35 -3.542 12.815 6.942 1.00 0.00 C ATOM 508 C ALA A 35 -4.202 13.879 6.062 1.00 0.00 C ATOM 509 O ALA A 35 -5.250 14.417 6.413 1.00 0.00 O ATOM 510 CB ALA A 35 -2.278 13.330 7.632 1.00 0.00 C ATOM 0 H ALA A 35 -2.243 11.348 6.198 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.253 12.547 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.525 14.199 8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.865 12.546 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.542 13.612 6.879 1.00 0.00 H new ATOM 516 N LEU A 36 -3.560 14.150 4.935 1.00 0.00 N ATOM 517 CA LEU A 36 -4.070 15.140 4.003 1.00 0.00 C ATOM 518 C LEU A 36 -5.521 14.803 3.652 1.00 0.00 C ATOM 519 O LEU A 36 -6.349 15.699 3.494 1.00 0.00 O ATOM 520 CB LEU A 36 -3.153 15.252 2.783 1.00 0.00 C ATOM 521 CG LEU A 36 -1.902 16.114 2.962 1.00 0.00 C ATOM 522 CD1 LEU A 36 -1.099 16.192 1.662 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.264 17.502 3.495 1.00 0.00 C ATOM 0 H LEU A 36 -2.691 13.701 4.647 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.073 16.129 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.840 14.248 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.733 15.656 1.953 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.264 15.639 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.215 16.811 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.793 15.190 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.717 16.631 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.357 18.094 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.933 17.999 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.761 17.403 4.460 1.00 0.00 H new ATOM 535 N PHE A 37 -5.784 13.510 3.539 1.00 0.00 N ATOM 536 CA PHE A 37 -7.120 13.043 3.210 1.00 0.00 C ATOM 537 C PHE A 37 -8.015 13.022 4.451 1.00 0.00 C ATOM 538 O PHE A 37 -9.239 13.065 4.339 1.00 0.00 O ATOM 539 CB PHE A 37 -6.977 11.618 2.674 1.00 0.00 C ATOM 540 CG PHE A 37 -6.123 11.511 1.409 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.771 11.408 1.508 1.00 0.00 C ATOM 542 CD2 PHE A 37 -6.717 11.519 0.186 1.00 0.00 C ATOM 543 CE1 PHE A 37 -3.978 11.310 0.334 1.00 0.00 C ATOM 544 CE2 PHE A 37 -5.925 11.420 -0.989 1.00 0.00 C ATOM 545 CZ PHE A 37 -4.572 11.318 -0.890 1.00 0.00 C ATOM 0 H PHE A 37 -5.094 12.770 3.670 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.577 13.709 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.538 10.991 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.969 11.218 2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.300 11.401 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.791 11.601 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.904 11.229 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.397 11.426 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.969 11.243 -1.783 1.00 0.00 H new ATOM 555 N GLU A 38 -7.369 12.955 5.606 1.00 0.00 N ATOM 556 CA GLU A 38 -8.090 12.927 6.867 1.00 0.00 C ATOM 557 C GLU A 38 -8.437 14.350 7.312 1.00 0.00 C ATOM 558 O GLU A 38 -9.510 14.587 7.864 1.00 0.00 O ATOM 559 CB GLU A 38 -7.285 12.197 7.944 1.00 0.00 C ATOM 560 CG GLU A 38 -7.142 10.711 7.607 1.00 0.00 C ATOM 561 CD GLU A 38 -8.310 9.905 8.179 1.00 0.00 C ATOM 562 OE1 GLU A 38 -9.436 10.101 7.673 1.00 0.00 O ATOM 563 OE2 GLU A 38 -8.050 9.110 9.108 1.00 0.00 O ATOM 0 H GLU A 38 -6.353 12.919 5.695 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.019 12.376 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.298 12.650 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.777 12.309 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.101 10.582 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.202 10.332 8.009 1.00 0.00 H new ATOM 570 N SER A 39 -7.508 15.259 7.055 1.00 0.00 N ATOM 571 CA SER A 39 -7.701 16.651 7.422 1.00 0.00 C ATOM 572 C SER A 39 -8.471 17.381 6.319 1.00 0.00 C ATOM 573 O SER A 39 -9.344 18.199 6.603 1.00 0.00 O ATOM 574 CB SER A 39 -6.362 17.343 7.682 1.00 0.00 C ATOM 575 OG SER A 39 -5.961 17.234 9.045 1.00 0.00 O ATOM 0 H SER A 39 -6.619 15.058 6.597 1.00 0.00 H new ATOM 0 HA SER A 39 -8.281 16.684 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.596 16.903 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.439 18.396 7.410 1.00 0.00 H new ATOM 0 HG SER A 39 -5.101 17.687 9.170 1.00 0.00 H new ATOM 581 N PHE A 40 -8.118 17.058 5.083 1.00 0.00 N ATOM 582 CA PHE A 40 -8.765 17.673 3.936 1.00 0.00 C ATOM 583 C PHE A 40 -9.367 16.612 3.013 1.00 0.00 C ATOM 584 O PHE A 40 -8.832 16.343 1.939 1.00 0.00 O ATOM 585 CB PHE A 40 -7.685 18.442 3.173 1.00 0.00 C ATOM 586 CG PHE A 40 -6.936 19.471 4.023 1.00 0.00 C ATOM 587 CD1 PHE A 40 -7.586 20.572 4.487 1.00 0.00 C ATOM 588 CD2 PHE A 40 -5.620 19.285 4.313 1.00 0.00 C ATOM 589 CE1 PHE A 40 -6.891 21.527 5.276 1.00 0.00 C ATOM 590 CE2 PHE A 40 -4.926 20.240 5.102 1.00 0.00 C ATOM 591 CZ PHE A 40 -5.576 21.341 5.566 1.00 0.00 C ATOM 0 H PHE A 40 -7.393 16.379 4.851 1.00 0.00 H new ATOM 0 HA PHE A 40 -9.571 18.326 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.967 17.731 2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.145 18.951 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.630 20.720 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.103 18.412 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.407 22.401 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.882 20.092 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.047 22.068 6.165 1.00 0.00 H new ATOM 601 N PRO A 41 -10.502 16.024 3.477 1.00 0.00 N ATOM 602 CA PRO A 41 -11.184 14.999 2.704 1.00 0.00 C ATOM 603 C PRO A 41 -11.942 15.614 1.526 1.00 0.00 C ATOM 604 O PRO A 41 -12.232 14.930 0.546 1.00 0.00 O ATOM 605 CB PRO A 41 -12.096 14.299 3.698 1.00 0.00 C ATOM 606 CG PRO A 41 -12.239 15.251 4.875 1.00 0.00 C ATOM 607 CD PRO A 41 -11.165 16.318 4.744 1.00 0.00 C ATOM 0 HA PRO A 41 -10.495 14.288 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.066 14.081 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.670 13.347 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.230 15.705 4.880 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.130 14.713 5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.599 17.318 4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.463 16.277 5.577 1.00 0.00 H new ATOM 615 N GLU A 42 -12.242 16.897 1.661 1.00 0.00 N ATOM 616 CA GLU A 42 -12.961 17.611 0.620 1.00 0.00 C ATOM 617 C GLU A 42 -11.979 18.207 -0.390 1.00 0.00 C ATOM 618 O GLU A 42 -12.153 19.340 -0.837 1.00 0.00 O ATOM 619 CB GLU A 42 -13.857 18.697 1.219 1.00 0.00 C ATOM 620 CG GLU A 42 -15.161 18.099 1.753 1.00 0.00 C ATOM 621 CD GLU A 42 -16.255 18.126 0.684 1.00 0.00 C ATOM 622 OE1 GLU A 42 -15.935 17.753 -0.465 1.00 0.00 O ATOM 623 OE2 GLU A 42 -17.387 18.520 1.040 1.00 0.00 O ATOM 0 H GLU A 42 -12.000 17.461 2.476 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.604 16.902 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.329 19.205 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.081 19.448 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.989 17.072 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.490 18.658 2.629 1.00 0.00 H new ATOM 630 N ASP A 43 -10.968 17.417 -0.721 1.00 0.00 N ATOM 631 CA ASP A 43 -9.958 17.852 -1.671 1.00 0.00 C ATOM 632 C ASP A 43 -9.167 16.638 -2.159 1.00 0.00 C ATOM 633 O ASP A 43 -8.899 16.506 -3.353 1.00 0.00 O ATOM 634 CB ASP A 43 -8.974 18.827 -1.021 1.00 0.00 C ATOM 635 CG ASP A 43 -9.564 20.189 -0.648 1.00 0.00 C ATOM 636 OD1 ASP A 43 -10.236 20.248 0.404 1.00 0.00 O ATOM 637 OD2 ASP A 43 -9.329 21.140 -1.424 1.00 0.00 O ATOM 0 H ASP A 43 -10.827 16.478 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.465 18.349 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.569 18.365 -0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.138 18.984 -1.703 1.00 0.00 H new ATOM 642 N PHE A 44 -8.815 15.781 -1.212 1.00 0.00 N ATOM 643 CA PHE A 44 -8.059 14.581 -1.531 1.00 0.00 C ATOM 644 C PHE A 44 -8.874 13.323 -1.226 1.00 0.00 C ATOM 645 O PHE A 44 -9.489 13.219 -0.166 1.00 0.00 O ATOM 646 CB PHE A 44 -6.809 14.592 -0.649 1.00 0.00 C ATOM 647 CG PHE A 44 -5.992 15.882 -0.744 1.00 0.00 C ATOM 648 CD1 PHE A 44 -5.184 16.098 -1.817 1.00 0.00 C ATOM 649 CD2 PHE A 44 -6.072 16.812 0.245 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.425 17.295 -1.904 1.00 0.00 C ATOM 651 CE2 PHE A 44 -5.314 18.009 0.157 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.506 18.225 -0.916 1.00 0.00 C ATOM 0 H PHE A 44 -9.039 15.893 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.808 14.570 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.107 14.438 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.174 13.751 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.120 15.359 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.712 16.640 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.783 17.467 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.379 18.748 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.929 19.135 -0.983 1.00 0.00 H new ATOM 662 N TYR A 45 -8.852 12.398 -2.175 1.00 0.00 N ATOM 663 CA TYR A 45 -9.581 11.150 -2.020 1.00 0.00 C ATOM 664 C TYR A 45 -9.276 10.191 -3.172 1.00 0.00 C ATOM 665 O TYR A 45 -8.983 10.625 -4.285 1.00 0.00 O ATOM 666 CB TYR A 45 -11.065 11.521 -2.061 1.00 0.00 C ATOM 667 CG TYR A 45 -11.469 12.338 -3.290 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.616 11.717 -4.513 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.685 13.696 -3.175 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.996 12.486 -5.670 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.065 14.465 -4.331 1.00 0.00 C ATOM 672 CZ TYR A 45 -12.202 13.822 -5.522 1.00 0.00 C ATOM 673 OH TYR A 45 -12.561 14.549 -6.614 1.00 0.00 O ATOM 0 H TYR A 45 -8.341 12.488 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.299 10.653 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.658 10.607 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.312 12.088 -1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.446 10.654 -4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.569 14.182 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.115 12.012 -6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.237 15.528 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.347 15.093 -6.400 1.00 0.00 H new ATOM 683 N VAL A 46 -9.355 8.904 -2.865 1.00 0.00 N ATOM 684 CA VAL A 46 -9.091 7.880 -3.861 1.00 0.00 C ATOM 685 C VAL A 46 -10.418 7.356 -4.412 1.00 0.00 C ATOM 686 O VAL A 46 -11.361 7.128 -3.656 1.00 0.00 O ATOM 687 CB VAL A 46 -8.216 6.778 -3.259 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.102 5.587 -4.212 1.00 0.00 C ATOM 689 CG2 VAL A 46 -6.834 7.317 -2.886 1.00 0.00 C ATOM 0 H VAL A 46 -9.598 8.548 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.534 8.297 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.697 6.430 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.475 4.818 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.094 5.179 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.655 5.914 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.233 6.513 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.342 7.705 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.941 8.117 -2.153 1.00 0.00 H new ATOM 699 N GLU A 47 -10.449 7.180 -5.725 1.00 0.00 N ATOM 700 CA GLU A 47 -11.646 6.687 -6.386 1.00 0.00 C ATOM 701 C GLU A 47 -11.370 5.332 -7.041 1.00 0.00 C ATOM 702 O GLU A 47 -10.221 4.900 -7.122 1.00 0.00 O ATOM 703 CB GLU A 47 -12.161 7.698 -7.412 1.00 0.00 C ATOM 704 CG GLU A 47 -12.293 9.090 -6.791 1.00 0.00 C ATOM 705 CD GLU A 47 -13.760 9.520 -6.716 1.00 0.00 C ATOM 706 OE1 GLU A 47 -14.329 9.785 -7.797 1.00 0.00 O ATOM 707 OE2 GLU A 47 -14.278 9.574 -5.580 1.00 0.00 O ATOM 0 H GLU A 47 -9.665 7.370 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.424 6.553 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.480 7.738 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.129 7.373 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.859 9.089 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.729 9.811 -7.382 1.00 0.00 H new ATOM 714 N GLY A 48 -12.443 4.700 -7.493 1.00 0.00 N ATOM 715 CA GLY A 48 -12.331 3.403 -8.139 1.00 0.00 C ATOM 716 C GLY A 48 -12.467 2.269 -7.120 1.00 0.00 C ATOM 717 O GLY A 48 -12.837 1.151 -7.475 1.00 0.00 O ATOM 0 H GLY A 48 -13.394 5.062 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.103 3.305 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.369 3.327 -8.646 1.00 0.00 H new ATOM 721 N LEU A 49 -12.160 2.597 -5.874 1.00 0.00 N ATOM 722 CA LEU A 49 -12.242 1.620 -4.801 1.00 0.00 C ATOM 723 C LEU A 49 -13.524 0.800 -4.962 1.00 0.00 C ATOM 724 O LEU A 49 -14.514 1.288 -5.504 1.00 0.00 O ATOM 725 CB LEU A 49 -12.120 2.308 -3.440 1.00 0.00 C ATOM 726 CG LEU A 49 -10.717 2.778 -3.050 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.781 3.847 -1.956 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.835 1.596 -2.645 1.00 0.00 C ATOM 0 H LEU A 49 -11.854 3.525 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.407 0.922 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.787 3.170 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.477 1.620 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.256 3.238 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.771 4.164 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.349 4.704 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.269 3.435 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.844 1.958 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.281 1.084 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.751 0.902 -3.481 1.00 0.00 H new ATOM 740 N PRO A 50 -13.461 -0.466 -4.469 1.00 0.00 N ATOM 741 CA PRO A 50 -14.604 -1.359 -4.553 1.00 0.00 C ATOM 742 C PRO A 50 -15.675 -0.977 -3.530 1.00 0.00 C ATOM 743 O PRO A 50 -15.421 -0.179 -2.629 1.00 0.00 O ATOM 744 CB PRO A 50 -14.034 -2.750 -4.325 1.00 0.00 C ATOM 745 CG PRO A 50 -12.682 -2.543 -3.663 1.00 0.00 C ATOM 746 CD PRO A 50 -12.305 -1.079 -3.821 1.00 0.00 C ATOM 0 HA PRO A 50 -15.111 -1.304 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.693 -3.343 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.929 -3.288 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.728 -2.814 -2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.929 -3.183 -4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.101 -0.616 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.405 -0.965 -4.426 1.00 0.00 H new ATOM 754 N GLU A 51 -16.850 -1.564 -3.703 1.00 0.00 N ATOM 755 CA GLU A 51 -17.961 -1.295 -2.806 1.00 0.00 C ATOM 756 C GLU A 51 -17.602 -1.709 -1.377 1.00 0.00 C ATOM 757 O GLU A 51 -16.851 -2.661 -1.174 1.00 0.00 O ATOM 758 CB GLU A 51 -19.232 -2.003 -3.279 1.00 0.00 C ATOM 759 CG GLU A 51 -20.322 -0.991 -3.639 1.00 0.00 C ATOM 760 CD GLU A 51 -19.966 -0.234 -4.920 1.00 0.00 C ATOM 761 OE1 GLU A 51 -19.503 -0.906 -5.866 1.00 0.00 O ATOM 762 OE2 GLU A 51 -20.165 1.000 -4.924 1.00 0.00 O ATOM 0 H GLU A 51 -17.057 -2.225 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.158 -0.223 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.006 -2.623 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.594 -2.670 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.273 -1.507 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.452 -0.285 -2.819 1.00 0.00 H new ATOM 769 N GLY A 52 -18.156 -0.973 -0.425 1.00 0.00 N ATOM 770 CA GLY A 52 -17.904 -1.252 0.978 1.00 0.00 C ATOM 771 C GLY A 52 -16.403 -1.356 1.255 1.00 0.00 C ATOM 772 O GLY A 52 -15.989 -2.000 2.218 1.00 0.00 O ATOM 0 H GLY A 52 -18.779 -0.184 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.337 -0.463 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.395 -2.183 1.261 1.00 0.00 H new ATOM 776 N VAL A 53 -15.628 -0.713 0.394 1.00 0.00 N ATOM 777 CA VAL A 53 -14.182 -0.726 0.534 1.00 0.00 C ATOM 778 C VAL A 53 -13.652 0.707 0.441 1.00 0.00 C ATOM 779 O VAL A 53 -13.366 1.197 -0.650 1.00 0.00 O ATOM 780 CB VAL A 53 -13.564 -1.660 -0.508 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.052 -1.781 -0.308 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.232 -3.036 -0.476 1.00 0.00 C ATOM 0 H VAL A 53 -15.974 -0.180 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.896 -1.116 1.511 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.738 -1.225 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.638 -2.451 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.592 -0.797 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.847 -2.181 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.774 -3.680 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.103 -3.480 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.295 -2.929 -0.690 1.00 0.00 H new ATOM 792 N PRO A 54 -13.535 1.354 1.631 1.00 0.00 N ATOM 793 CA PRO A 54 -13.045 2.721 1.694 1.00 0.00 C ATOM 794 C PRO A 54 -11.531 2.771 1.479 1.00 0.00 C ATOM 795 O PRO A 54 -10.883 1.732 1.358 1.00 0.00 O ATOM 796 CB PRO A 54 -13.467 3.227 3.064 1.00 0.00 C ATOM 797 CG PRO A 54 -13.766 1.988 3.892 1.00 0.00 C ATOM 798 CD PRO A 54 -13.865 0.805 2.943 1.00 0.00 C ATOM 0 HA PRO A 54 -13.457 3.352 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.676 3.821 3.522 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.345 3.869 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.979 1.822 4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.698 2.113 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.173 0.012 3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.866 0.373 2.951 1.00 0.00 H new ATOM 806 N PHE A 55 -11.011 3.989 1.438 1.00 0.00 N ATOM 807 CA PHE A 55 -9.586 4.188 1.239 1.00 0.00 C ATOM 808 C PHE A 55 -8.844 4.214 2.577 1.00 0.00 C ATOM 809 O PHE A 55 -7.984 5.065 2.798 1.00 0.00 O ATOM 810 CB PHE A 55 -9.415 5.542 0.549 1.00 0.00 C ATOM 811 CG PHE A 55 -7.960 5.912 0.254 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.173 5.062 -0.459 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.453 7.090 0.706 1.00 0.00 C ATOM 814 CE1 PHE A 55 -5.823 5.405 -0.732 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.102 7.433 0.433 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.316 6.583 -0.280 1.00 0.00 C ATOM 0 H PHE A 55 -11.551 4.848 1.539 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.177 3.373 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.974 5.534 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.856 6.316 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.575 4.126 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.078 7.765 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.198 4.730 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.699 8.369 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.289 6.844 -0.487 1.00 0.00 H new ATOM 826 N ARG A 56 -9.204 3.271 3.435 1.00 0.00 N ATOM 827 CA ARG A 56 -8.583 3.175 4.746 1.00 0.00 C ATOM 828 C ARG A 56 -7.233 2.463 4.642 1.00 0.00 C ATOM 829 O ARG A 56 -6.804 2.093 3.550 1.00 0.00 O ATOM 830 CB ARG A 56 -9.480 2.414 5.725 1.00 0.00 C ATOM 831 CG ARG A 56 -10.360 3.377 6.523 1.00 0.00 C ATOM 832 CD ARG A 56 -9.669 3.806 7.819 1.00 0.00 C ATOM 833 NE ARG A 56 -9.914 2.803 8.879 1.00 0.00 N ATOM 834 CZ ARG A 56 -9.385 2.865 10.109 1.00 0.00 C ATOM 835 NH1 ARG A 56 -8.579 3.883 10.441 1.00 0.00 N ATOM 836 NH2 ARG A 56 -9.662 1.910 11.007 1.00 0.00 N ATOM 0 H ARG A 56 -9.918 2.567 3.248 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.435 4.188 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.108 1.711 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.865 1.828 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.585 4.256 5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.311 2.898 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.598 3.915 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.043 4.780 8.135 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.524 2.015 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.368 4.610 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.176 3.930 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.276 1.135 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.259 1.958 11.943 1.00 0.00 H new ATOM 850 N ARG A 57 -6.601 2.291 5.794 1.00 0.00 N ATOM 851 CA ARG A 57 -5.308 1.630 5.847 1.00 0.00 C ATOM 852 C ARG A 57 -5.464 0.135 5.563 1.00 0.00 C ATOM 853 O ARG A 57 -6.458 -0.475 5.956 1.00 0.00 O ATOM 854 CB ARG A 57 -4.650 1.816 7.216 1.00 0.00 C ATOM 855 CG ARG A 57 -4.233 3.273 7.430 1.00 0.00 C ATOM 856 CD ARG A 57 -5.185 3.978 8.398 1.00 0.00 C ATOM 857 NE ARG A 57 -5.472 5.348 7.917 1.00 0.00 N ATOM 858 CZ ARG A 57 -5.960 6.329 8.689 1.00 0.00 C ATOM 859 NH1 ARG A 57 -6.219 6.097 9.983 1.00 0.00 N ATOM 860 NH2 ARG A 57 -6.190 7.541 8.167 1.00 0.00 N ATOM 0 H ARG A 57 -6.960 2.598 6.698 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.673 2.083 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.343 1.513 8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.777 1.169 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.217 3.311 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.226 3.797 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.113 3.412 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.741 4.018 9.393 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.287 5.559 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.045 5.174 10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.590 6.843 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.994 7.718 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.561 8.287 8.755 1.00 0.00 H new ATOM 874 N PRO A 58 -4.442 -0.428 4.865 1.00 0.00 N ATOM 875 CA PRO A 58 -4.456 -1.840 4.524 1.00 0.00 C ATOM 876 C PRO A 58 -4.141 -2.703 5.747 1.00 0.00 C ATOM 877 O PRO A 58 -4.317 -3.920 5.715 1.00 0.00 O ATOM 878 CB PRO A 58 -3.429 -1.987 3.413 1.00 0.00 C ATOM 879 CG PRO A 58 -2.549 -0.750 3.493 1.00 0.00 C ATOM 880 CD PRO A 58 -3.249 0.263 4.384 1.00 0.00 C ATOM 0 HA PRO A 58 -5.436 -2.182 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.840 -2.895 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.914 -2.059 2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.570 -1.004 3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.384 -0.334 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.610 0.571 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.510 1.164 3.830 1.00 0.00 H new ATOM 888 N SER A 59 -3.682 -2.038 6.798 1.00 0.00 N ATOM 889 CA SER A 59 -3.341 -2.729 8.030 1.00 0.00 C ATOM 890 C SER A 59 -4.569 -2.817 8.938 1.00 0.00 C ATOM 891 O SER A 59 -4.494 -2.492 10.122 1.00 0.00 O ATOM 892 CB SER A 59 -2.193 -2.026 8.756 1.00 0.00 C ATOM 893 OG SER A 59 -2.474 -0.649 8.992 1.00 0.00 O ATOM 0 H SER A 59 -3.538 -1.028 6.821 1.00 0.00 H new ATOM 0 HA SER A 59 -3.012 -3.737 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.005 -2.526 9.706 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.282 -2.114 8.164 1.00 0.00 H new ATOM 0 HG SER A 59 -1.718 -0.236 9.459 1.00 0.00 H new ATOM 899 N THR A 60 -5.671 -3.257 8.349 1.00 0.00 N ATOM 900 CA THR A 60 -6.914 -3.391 9.090 1.00 0.00 C ATOM 901 C THR A 60 -7.893 -4.288 8.331 1.00 0.00 C ATOM 902 O THR A 60 -8.546 -5.144 8.926 1.00 0.00 O ATOM 903 CB THR A 60 -7.458 -1.986 9.358 1.00 0.00 C ATOM 904 OG1 THR A 60 -7.785 -1.999 10.744 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.798 -1.735 8.662 1.00 0.00 C ATOM 0 H THR A 60 -5.729 -3.525 7.367 1.00 0.00 H new ATOM 0 HA THR A 60 -6.752 -3.881 10.050 1.00 0.00 H new ATOM 0 HB THR A 60 -6.731 -1.246 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.144 -1.125 11.004 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.140 -0.724 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.675 -1.848 7.585 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.534 -2.454 9.020 1.00 0.00 H new ATOM 913 N PHE A 61 -7.966 -4.061 7.027 1.00 0.00 N ATOM 914 CA PHE A 61 -8.855 -4.838 6.181 1.00 0.00 C ATOM 915 C PHE A 61 -8.674 -6.338 6.426 1.00 0.00 C ATOM 916 O PHE A 61 -7.822 -6.743 7.215 1.00 0.00 O ATOM 917 CB PHE A 61 -8.481 -4.523 4.731 1.00 0.00 C ATOM 918 CG PHE A 61 -8.856 -3.108 4.286 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.054 -2.576 4.647 1.00 0.00 C ATOM 920 CD2 PHE A 61 -7.990 -2.381 3.529 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.402 -1.263 4.234 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.338 -1.068 3.115 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.536 -0.536 3.477 1.00 0.00 C ATOM 0 H PHE A 61 -7.424 -3.350 6.536 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.892 -4.583 6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.407 -4.660 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.973 -5.242 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.741 -3.153 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.038 -2.803 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.354 -0.841 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.651 -0.492 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.800 0.463 3.164 1.00 0.00 H new ATOM 933 N GLY A 62 -9.491 -7.120 5.736 1.00 0.00 N ATOM 934 CA GLY A 62 -9.432 -8.566 5.870 1.00 0.00 C ATOM 935 C GLY A 62 -8.571 -9.184 4.766 1.00 0.00 C ATOM 936 O GLY A 62 -7.996 -8.468 3.948 1.00 0.00 O ATOM 0 H GLY A 62 -10.197 -6.780 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.022 -8.828 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.439 -8.980 5.826 1.00 0.00 H new ATOM 940 N ILE A 63 -8.510 -10.507 4.779 1.00 0.00 N ATOM 941 CA ILE A 63 -7.729 -11.230 3.790 1.00 0.00 C ATOM 942 C ILE A 63 -8.371 -11.054 2.412 1.00 0.00 C ATOM 943 O ILE A 63 -7.680 -10.788 1.430 1.00 0.00 O ATOM 944 CB ILE A 63 -7.558 -12.692 4.206 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.544 -12.823 5.345 1.00 0.00 C ATOM 946 CG2 ILE A 63 -7.186 -13.564 3.005 1.00 0.00 C ATOM 947 CD1 ILE A 63 -6.838 -14.055 6.202 1.00 0.00 C ATOM 0 H ILE A 63 -8.989 -11.098 5.459 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.721 -10.821 3.728 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.515 -13.054 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.537 -12.894 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.572 -11.928 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.070 -14.598 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.974 -13.504 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.248 -13.211 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.103 -14.124 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.836 -13.970 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.785 -14.950 5.583 1.00 0.00 H new ATOM 959 N PRO A 64 -9.721 -11.214 2.382 1.00 0.00 N ATOM 960 CA PRO A 64 -10.464 -11.076 1.141 1.00 0.00 C ATOM 961 C PRO A 64 -10.595 -9.605 0.742 1.00 0.00 C ATOM 962 O PRO A 64 -10.287 -9.236 -0.390 1.00 0.00 O ATOM 963 CB PRO A 64 -11.805 -11.740 1.410 1.00 0.00 C ATOM 964 CG PRO A 64 -11.939 -11.812 2.922 1.00 0.00 C ATOM 965 CD PRO A 64 -10.573 -11.530 3.525 1.00 0.00 C ATOM 0 HA PRO A 64 -9.963 -11.548 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.621 -11.164 0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.844 -12.735 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.670 -11.085 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.295 -12.796 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.615 -10.699 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.196 -12.394 4.073 1.00 0.00 H new ATOM 973 N ARG A 65 -11.054 -8.805 1.693 1.00 0.00 N ATOM 974 CA ARG A 65 -11.230 -7.383 1.454 1.00 0.00 C ATOM 975 C ARG A 65 -9.961 -6.787 0.840 1.00 0.00 C ATOM 976 O ARG A 65 -10.034 -5.867 0.027 1.00 0.00 O ATOM 977 CB ARG A 65 -11.555 -6.642 2.753 1.00 0.00 C ATOM 978 CG ARG A 65 -12.899 -5.919 2.650 1.00 0.00 C ATOM 979 CD ARG A 65 -12.942 -4.706 3.582 1.00 0.00 C ATOM 980 NE ARG A 65 -13.806 -4.994 4.748 1.00 0.00 N ATOM 981 CZ ARG A 65 -14.289 -4.057 5.575 1.00 0.00 C ATOM 982 NH1 ARG A 65 -13.995 -2.766 5.369 1.00 0.00 N ATOM 983 NH2 ARG A 65 -15.065 -4.410 6.609 1.00 0.00 N ATOM 0 H ARG A 65 -11.309 -9.115 2.631 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.064 -7.264 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.581 -7.349 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.767 -5.922 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.065 -5.598 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.706 -6.606 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.935 -4.459 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.321 -3.837 3.044 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.049 -5.967 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.404 -2.497 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.363 -2.053 5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.288 -5.393 6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.432 -3.696 7.238 1.00 0.00 H new ATOM 997 N LEU A 66 -8.828 -7.336 1.252 1.00 0.00 N ATOM 998 CA LEU A 66 -7.546 -6.871 0.752 1.00 0.00 C ATOM 999 C LEU A 66 -7.467 -7.127 -0.754 1.00 0.00 C ATOM 1000 O LEU A 66 -7.145 -6.224 -1.525 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.400 -7.504 1.545 1.00 0.00 C ATOM 1002 CG LEU A 66 -6.015 -6.798 2.847 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.318 -7.763 3.807 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.167 -5.556 2.567 1.00 0.00 C ATOM 0 H LEU A 66 -8.771 -8.099 1.927 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.448 -5.795 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.672 -8.533 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.520 -7.545 0.903 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.929 -6.460 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.055 -7.237 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.988 -8.590 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.413 -8.152 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.907 -5.073 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.256 -5.848 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.733 -4.861 1.947 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.766 -8.362 -1.128 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.733 -8.748 -2.529 1.00 0.00 C ATOM 1018 C GLU A 67 -8.758 -7.941 -3.326 1.00 0.00 C ATOM 1019 O GLU A 67 -8.498 -7.551 -4.464 1.00 0.00 O ATOM 1020 CB GLU A 67 -7.973 -10.251 -2.689 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.675 -11.037 -2.497 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.171 -11.597 -3.828 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -6.928 -12.384 -4.437 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -5.039 -11.225 -4.208 1.00 0.00 O ATOM 0 H GLU A 67 -8.032 -9.108 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.741 -8.528 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.715 -10.584 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.382 -10.454 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.915 -10.390 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.841 -11.854 -1.794 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.903 -7.713 -2.699 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.969 -6.959 -3.336 1.00 0.00 C ATOM 1033 C LYS A 68 -10.397 -5.661 -3.910 1.00 0.00 C ATOM 1034 O LYS A 68 -10.792 -5.229 -4.992 1.00 0.00 O ATOM 1035 CB LYS A 68 -12.128 -6.742 -2.361 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.687 -8.078 -1.868 1.00 0.00 C ATOM 1037 CD LYS A 68 -14.206 -8.006 -1.693 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.773 -9.360 -1.263 1.00 0.00 C ATOM 1039 NZ LYS A 68 -15.294 -10.100 -2.434 1.00 0.00 N ATOM 0 H LYS A 68 -10.116 -8.038 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.386 -7.521 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.787 -6.151 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.918 -6.172 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.436 -8.866 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.220 -8.344 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.454 -7.250 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.669 -7.695 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.997 -9.946 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.570 -9.212 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.169 -11.121 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.305 -9.889 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.774 -9.810 -3.287 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.475 -5.075 -3.159 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.845 -3.836 -3.580 1.00 0.00 C ATOM 1055 C ILE A 69 -7.932 -4.113 -4.776 1.00 0.00 C ATOM 1056 O ILE A 69 -8.157 -3.591 -5.867 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.130 -3.171 -2.402 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -9.134 -2.696 -1.349 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -7.222 -2.037 -2.880 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.732 -3.177 0.047 1.00 0.00 C ATOM 0 H ILE A 69 -9.150 -5.436 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.597 -3.120 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.491 -3.915 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.191 -1.608 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.128 -3.070 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.726 -1.582 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.472 -2.435 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.820 -1.285 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.462 -2.826 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.700 -4.266 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.748 -2.782 0.299 1.00 0.00 H new ATOM 1072 N LEU A 70 -6.921 -4.933 -4.531 1.00 0.00 N ATOM 1073 CA LEU A 70 -5.973 -5.286 -5.574 1.00 0.00 C ATOM 1074 C LEU A 70 -6.732 -5.575 -6.870 1.00 0.00 C ATOM 1075 O LEU A 70 -6.388 -5.047 -7.926 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.077 -6.438 -5.116 1.00 0.00 C ATOM 1077 CG LEU A 70 -3.960 -6.071 -4.137 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -4.043 -6.920 -2.867 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -2.588 -6.173 -4.806 1.00 0.00 C ATOM 0 H LEU A 70 -6.737 -5.364 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.301 -4.452 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.705 -7.198 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.625 -6.893 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.096 -5.031 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.238 -6.639 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.003 -6.753 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.947 -7.974 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.812 -5.907 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.427 -7.194 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.546 -5.491 -5.655 1.00 0.00 H new ATOM 1091 N ARG A 71 -7.752 -6.412 -6.747 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.562 -6.778 -7.896 1.00 0.00 C ATOM 1093 C ARG A 71 -8.800 -5.558 -8.788 1.00 0.00 C ATOM 1094 O ARG A 71 -8.758 -5.662 -10.013 1.00 0.00 O ATOM 1095 CB ARG A 71 -9.911 -7.352 -7.458 1.00 0.00 C ATOM 1096 CG ARG A 71 -9.763 -8.797 -6.977 1.00 0.00 C ATOM 1097 CD ARG A 71 -10.970 -9.223 -6.139 1.00 0.00 C ATOM 1098 NE ARG A 71 -11.440 -10.558 -6.571 1.00 0.00 N ATOM 1099 CZ ARG A 71 -12.413 -11.245 -5.959 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -13.026 -10.728 -4.885 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -12.775 -12.450 -6.420 1.00 0.00 N ATOM 0 H ARG A 71 -8.036 -6.847 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.020 -7.541 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.328 -6.740 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.614 -7.312 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.659 -9.461 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.853 -8.896 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.700 -9.248 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.773 -8.494 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.995 -10.981 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.751 -9.811 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.767 -11.252 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.309 -12.844 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.516 -12.973 -5.954 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.046 -4.429 -8.139 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.290 -3.190 -8.858 1.00 0.00 C ATOM 1117 C ASN A 72 -8.133 -2.222 -8.606 1.00 0.00 C ATOM 1118 O ASN A 72 -8.349 -1.085 -8.191 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.580 -2.521 -8.378 1.00 0.00 C ATOM 1120 CG ASN A 72 -11.811 -3.263 -8.901 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -11.746 -4.043 -9.837 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -12.933 -2.978 -8.246 1.00 0.00 N ATOM 0 H ASN A 72 -9.082 -4.347 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.379 -3.427 -9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.599 -2.501 -7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.604 -1.485 -8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.810 -3.422 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.917 -2.315 -7.471 1.00 0.00 H new ATOM 1129 N LYS A 73 -6.929 -2.709 -8.867 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.736 -1.901 -8.673 1.00 0.00 C ATOM 1131 C LYS A 73 -5.514 -1.024 -9.907 1.00 0.00 C ATOM 1132 O LYS A 73 -4.654 -0.146 -9.902 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.539 -2.788 -8.326 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.056 -3.563 -9.553 1.00 0.00 C ATOM 1135 CD LYS A 73 -2.666 -4.156 -9.315 1.00 0.00 C ATOM 1136 CE LYS A 73 -2.756 -5.473 -8.541 1.00 0.00 C ATOM 1137 NZ LYS A 73 -1.403 -5.996 -8.248 1.00 0.00 N ATOM 0 H LYS A 73 -6.753 -3.653 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.864 -1.231 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.727 -2.173 -7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.816 -3.486 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.761 -4.361 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.029 -2.901 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.171 -4.325 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.054 -3.445 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.302 -5.318 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.317 -6.205 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.483 -6.890 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.895 -6.163 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.880 -5.303 -7.675 1.00 0.00 H new ATOM 1151 N ALA A 74 -6.306 -1.294 -10.935 1.00 0.00 N ATOM 1152 CA ALA A 74 -6.206 -0.540 -12.174 1.00 0.00 C ATOM 1153 C ALA A 74 -7.355 0.469 -12.245 1.00 0.00 C ATOM 1154 O ALA A 74 -7.237 1.503 -12.900 1.00 0.00 O ATOM 1155 CB ALA A 74 -6.203 -1.505 -13.360 1.00 0.00 C ATOM 0 H ALA A 74 -7.019 -2.023 -10.935 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.272 0.021 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.128 -0.940 -14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.352 -2.181 -13.277 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.127 -2.083 -13.361 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.439 0.132 -11.562 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.607 0.995 -11.540 1.00 0.00 C ATOM 1163 C LYS A 75 -9.386 2.121 -10.528 1.00 0.00 C ATOM 1164 O LYS A 75 -9.821 3.250 -10.745 1.00 0.00 O ATOM 1165 CB LYS A 75 -10.874 0.176 -11.282 1.00 0.00 C ATOM 1166 CG LYS A 75 -10.993 -0.978 -12.280 1.00 0.00 C ATOM 1167 CD LYS A 75 -12.305 -1.740 -12.082 1.00 0.00 C ATOM 1168 CE LYS A 75 -12.991 -2.009 -13.423 1.00 0.00 C ATOM 1169 NZ LYS A 75 -14.175 -1.136 -13.585 1.00 0.00 N ATOM 0 H LYS A 75 -8.533 -0.727 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.751 1.465 -12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.856 -0.218 -10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.750 0.820 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.943 -0.590 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.151 -1.659 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.108 -2.684 -11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.970 -1.165 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.289 -1.834 -14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.293 -3.055 -13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.628 -1.332 -14.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.851 -1.322 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.879 -0.140 -13.552 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.709 1.773 -9.443 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.424 2.740 -8.397 1.00 0.00 C ATOM 1185 C ILE A 76 -7.716 3.951 -9.006 1.00 0.00 C ATOM 1186 O ILE A 76 -6.907 3.806 -9.921 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.645 2.081 -7.257 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.576 1.274 -6.350 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.839 3.119 -6.472 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.786 0.272 -5.506 1.00 0.00 C ATOM 0 H ILE A 76 -8.350 0.835 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.350 3.103 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.932 1.380 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.128 1.949 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.311 0.745 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.295 2.624 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.132 3.611 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.516 3.861 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.471 -0.289 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.254 -0.417 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.069 0.807 -4.883 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.047 5.119 -8.475 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.453 6.355 -8.956 1.00 0.00 C ATOM 1204 C LYS A 77 -7.400 7.369 -7.811 1.00 0.00 C ATOM 1205 O LYS A 77 -8.244 7.345 -6.916 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.197 6.862 -10.193 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.242 7.571 -11.155 1.00 0.00 C ATOM 1208 CD LYS A 77 -7.887 7.757 -12.530 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.882 9.231 -12.942 1.00 0.00 C ATOM 1210 NZ LYS A 77 -7.490 9.370 -14.363 1.00 0.00 N ATOM 0 H LYS A 77 -8.719 5.236 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.426 6.184 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.676 6.026 -10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.989 7.547 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.963 8.542 -10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.324 6.991 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.349 7.166 -13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.911 7.385 -12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.871 9.661 -12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.190 9.789 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.492 10.376 -14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.537 8.978 -14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.166 8.854 -14.962 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.400 8.236 -7.877 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.227 9.256 -6.857 1.00 0.00 C ATOM 1226 C PHE A 78 -6.523 10.649 -7.419 1.00 0.00 C ATOM 1227 O PHE A 78 -5.926 11.061 -8.412 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.764 9.199 -6.412 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.464 8.090 -5.402 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.751 6.796 -5.708 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.910 8.397 -4.199 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.472 5.766 -4.771 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.631 7.367 -3.262 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.918 6.074 -3.568 1.00 0.00 C ATOM 0 H PHE A 78 -5.702 8.253 -8.620 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.912 9.075 -6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.133 9.058 -7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.490 10.159 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.191 6.552 -6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.682 9.424 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.700 4.739 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.191 7.611 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.706 5.291 -2.855 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.444 11.335 -6.758 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.826 12.672 -7.179 1.00 0.00 C ATOM 1246 C ILE A 79 -7.170 13.700 -6.255 1.00 0.00 C ATOM 1247 O ILE A 79 -7.417 13.704 -5.050 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.349 12.795 -7.253 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.895 12.109 -8.507 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.785 14.259 -7.164 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.244 10.740 -8.710 1.00 0.00 C ATOM 0 H ILE A 79 -7.937 10.990 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.464 12.872 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.776 12.279 -6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.975 11.993 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.710 12.736 -9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.872 14.319 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.446 14.683 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.348 14.820 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.650 10.274 -9.608 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.166 10.862 -8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.451 10.107 -7.847 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.345 14.546 -6.855 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.652 15.576 -6.101 1.00 0.00 C ATOM 1265 C ILE A 80 -6.113 16.953 -6.583 1.00 0.00 C ATOM 1266 O ILE A 80 -5.820 17.350 -7.710 1.00 0.00 O ATOM 1267 CB ILE A 80 -4.137 15.372 -6.182 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.762 13.922 -5.869 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.401 16.362 -5.278 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -3.428 13.750 -4.387 1.00 0.00 C ATOM 0 H ILE A 80 -6.141 14.539 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.904 15.507 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.820 15.573 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.587 13.263 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.906 13.625 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.327 16.195 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.633 17.381 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.718 16.217 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.165 12.710 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.587 14.392 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.294 14.025 -3.785 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.827 17.643 -5.706 1.00 0.00 N ATOM 1283 CA LYS A 81 -7.332 18.967 -6.028 1.00 0.00 C ATOM 1284 C LYS A 81 -6.289 20.015 -5.635 1.00 0.00 C ATOM 1285 O LYS A 81 -6.127 21.023 -6.323 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.701 19.190 -5.383 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.697 18.116 -5.825 1.00 0.00 C ATOM 1288 CD LYS A 81 -11.123 18.489 -5.414 1.00 0.00 C ATOM 1289 CE LYS A 81 -12.128 17.453 -5.922 1.00 0.00 C ATOM 1290 NZ LYS A 81 -12.745 17.908 -7.189 1.00 0.00 N ATOM 0 H LYS A 81 -7.068 17.310 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.492 19.063 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.602 19.175 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.079 20.176 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.647 17.992 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.425 17.158 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.186 18.560 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.375 19.472 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.627 16.497 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.902 17.290 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.424 17.194 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.240 18.809 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.005 18.041 -7.907 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.608 19.742 -4.532 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.586 20.649 -4.040 1.00 0.00 C ATOM 1306 C LYS A 82 -3.250 19.907 -3.955 1.00 0.00 C ATOM 1307 O LYS A 82 -2.857 19.450 -2.883 1.00 0.00 O ATOM 1308 CB LYS A 82 -5.022 21.282 -2.717 1.00 0.00 C ATOM 1309 CG LYS A 82 -6.428 21.876 -2.831 1.00 0.00 C ATOM 1310 CD LYS A 82 -6.616 23.032 -1.846 1.00 0.00 C ATOM 1311 CE LYS A 82 -7.448 24.154 -2.470 1.00 0.00 C ATOM 1312 NZ LYS A 82 -8.833 24.124 -1.950 1.00 0.00 N ATOM 0 H LYS A 82 -5.744 18.905 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.448 21.479 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.003 20.531 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.316 22.062 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.596 22.229 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.171 21.102 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.107 22.669 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.643 23.420 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.991 25.119 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.458 24.047 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.480 24.520 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.105 23.142 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.889 24.689 -1.079 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.572 19.808 -5.130 1.00 0.00 N ATOM 1327 CA PRO A 83 -1.289 19.130 -5.199 1.00 0.00 C ATOM 1328 C PRO A 83 -0.180 19.991 -4.592 1.00 0.00 C ATOM 1329 O PRO A 83 0.843 19.471 -4.150 1.00 0.00 O ATOM 1330 CB PRO A 83 -1.076 18.841 -6.676 1.00 0.00 C ATOM 1331 CG PRO A 83 -2.016 19.773 -7.423 1.00 0.00 C ATOM 1332 CD PRO A 83 -3.008 20.338 -6.419 1.00 0.00 C ATOM 0 HA PRO A 83 -1.269 18.207 -4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.040 19.019 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.296 17.798 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.456 20.577 -7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.538 19.235 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.998 21.428 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.027 20.027 -6.651 1.00 0.00 H new ATOM 1340 N GLU A 84 -0.421 21.294 -4.590 1.00 0.00 N ATOM 1341 CA GLU A 84 0.545 22.233 -4.044 1.00 0.00 C ATOM 1342 C GLU A 84 0.748 21.977 -2.549 1.00 0.00 C ATOM 1343 O GLU A 84 1.744 22.410 -1.972 1.00 0.00 O ATOM 1344 CB GLU A 84 0.110 23.677 -4.299 1.00 0.00 C ATOM 1345 CG GLU A 84 -1.209 23.987 -3.587 1.00 0.00 C ATOM 1346 CD GLU A 84 -2.108 24.867 -4.456 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -2.803 24.289 -5.320 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -2.081 26.097 -4.238 1.00 0.00 O ATOM 0 H GLU A 84 -1.271 21.722 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 84 1.498 22.080 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.884 24.361 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.003 23.842 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.725 23.057 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.006 24.490 -2.641 1.00 0.00 H new ATOM 1355 N MET A 85 -0.212 21.274 -1.966 1.00 0.00 N ATOM 1356 CA MET A 85 -0.151 20.956 -0.550 1.00 0.00 C ATOM 1357 C MET A 85 0.514 19.597 -0.322 1.00 0.00 C ATOM 1358 O MET A 85 0.798 19.223 0.815 1.00 0.00 O ATOM 1359 CB MET A 85 -1.567 20.936 0.031 1.00 0.00 C ATOM 1360 CG MET A 85 -2.139 22.351 0.128 1.00 0.00 C ATOM 1361 SD MET A 85 -2.118 22.904 1.825 1.00 0.00 S ATOM 1362 CE MET A 85 -3.219 21.704 2.555 1.00 0.00 C ATOM 0 H MET A 85 -1.036 20.916 -2.449 1.00 0.00 H new ATOM 0 HA MET A 85 0.445 21.720 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.213 20.321 -0.596 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.552 20.477 1.020 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.555 23.031 -0.492 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.159 22.367 -0.255 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.886 22.203 3.258 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.808 21.227 1.772 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.636 20.948 3.082 1.00 0.00 H new ATOM 1372 N PHE A 86 0.742 18.894 -1.422 1.00 0.00 N ATOM 1373 CA PHE A 86 1.368 17.584 -1.356 1.00 0.00 C ATOM 1374 C PHE A 86 2.893 17.704 -1.364 1.00 0.00 C ATOM 1375 O PHE A 86 3.585 16.915 -0.722 1.00 0.00 O ATOM 1376 CB PHE A 86 0.923 16.813 -2.600 1.00 0.00 C ATOM 1377 CG PHE A 86 0.081 15.572 -2.294 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.214 15.708 -1.902 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.629 14.332 -2.416 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -1.994 14.556 -1.618 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.152 13.181 -2.132 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.447 13.317 -1.740 1.00 0.00 C ATOM 0 H PHE A 86 0.505 19.207 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 86 1.075 17.078 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.348 17.480 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.806 16.511 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.649 16.692 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.657 14.224 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.022 14.664 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.283 12.197 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.041 12.441 -1.526 1.00 0.00 H new ATOM 1392 N GLU A 87 3.373 18.698 -2.097 1.00 0.00 N ATOM 1393 CA GLU A 87 4.803 18.931 -2.197 1.00 0.00 C ATOM 1394 C GLU A 87 5.472 18.720 -0.837 1.00 0.00 C ATOM 1395 O GLU A 87 6.529 18.097 -0.751 1.00 0.00 O ATOM 1396 CB GLU A 87 5.094 20.332 -2.739 1.00 0.00 C ATOM 1397 CG GLU A 87 5.781 20.260 -4.104 1.00 0.00 C ATOM 1398 CD GLU A 87 6.874 21.325 -4.225 1.00 0.00 C ATOM 1399 OE1 GLU A 87 6.546 22.505 -3.977 1.00 0.00 O ATOM 1400 OE2 GLU A 87 8.012 20.934 -4.563 1.00 0.00 O ATOM 0 H GLU A 87 2.796 19.351 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 87 5.220 18.211 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.163 20.893 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.728 20.873 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.216 19.270 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.043 20.399 -4.894 1.00 0.00 H new ATOM 1407 N THR A 88 4.828 19.252 0.192 1.00 0.00 N ATOM 1408 CA THR A 88 5.348 19.130 1.543 1.00 0.00 C ATOM 1409 C THR A 88 5.640 17.665 1.872 1.00 0.00 C ATOM 1410 O THR A 88 6.699 17.345 2.410 1.00 0.00 O ATOM 1411 CB THR A 88 4.341 19.778 2.496 1.00 0.00 C ATOM 1412 OG1 THR A 88 4.374 21.160 2.150 1.00 0.00 O ATOM 1413 CG2 THR A 88 4.810 19.747 3.952 1.00 0.00 C ATOM 0 H THR A 88 3.951 19.768 0.117 1.00 0.00 H new ATOM 0 HA THR A 88 6.300 19.650 1.649 1.00 0.00 H new ATOM 0 HB THR A 88 3.382 19.267 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.748 21.655 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.060 20.219 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.952 18.713 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.753 20.287 4.042 1.00 0.00 H new ATOM 1421 N ALA A 89 4.682 16.814 1.534 1.00 0.00 N ATOM 1422 CA ALA A 89 4.823 15.390 1.787 1.00 0.00 C ATOM 1423 C ALA A 89 5.991 14.843 0.962 1.00 0.00 C ATOM 1424 O ALA A 89 6.897 14.213 1.505 1.00 0.00 O ATOM 1425 CB ALA A 89 3.505 14.682 1.470 1.00 0.00 C ATOM 0 H ALA A 89 3.805 17.083 1.087 1.00 0.00 H new ATOM 0 HA ALA A 89 5.047 15.208 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.611 13.614 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.714 15.086 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.250 14.841 0.422 1.00 0.00 H new ATOM 1431 N ILE A 90 5.931 15.105 -0.335 1.00 0.00 N ATOM 1432 CA ILE A 90 6.972 14.648 -1.239 1.00 0.00 C ATOM 1433 C ILE A 90 8.326 15.174 -0.759 1.00 0.00 C ATOM 1434 O ILE A 90 9.350 14.513 -0.931 1.00 0.00 O ATOM 1435 CB ILE A 90 6.638 15.035 -2.681 1.00 0.00 C ATOM 1436 CG1 ILE A 90 5.277 14.473 -3.099 1.00 0.00 C ATOM 1437 CG2 ILE A 90 7.753 14.607 -3.637 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.343 15.590 -3.568 1.00 0.00 C ATOM 0 H ILE A 90 5.178 15.628 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 90 7.032 13.560 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 90 6.568 16.121 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.410 13.746 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.825 13.944 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.490 14.894 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.685 15.096 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.880 13.526 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.383 15.163 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.192 16.303 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.787 16.101 -4.422 1.00 0.00 H new ATOM 1450 N LYS A 91 8.289 16.358 -0.167 1.00 0.00 N ATOM 1451 CA LYS A 91 9.500 16.981 0.339 1.00 0.00 C ATOM 1452 C LYS A 91 9.905 16.306 1.651 1.00 0.00 C ATOM 1453 O LYS A 91 11.070 15.961 1.842 1.00 0.00 O ATOM 1454 CB LYS A 91 9.315 18.495 0.458 1.00 0.00 C ATOM 1455 CG LYS A 91 10.108 19.053 1.641 1.00 0.00 C ATOM 1456 CD LYS A 91 10.397 20.544 1.454 1.00 0.00 C ATOM 1457 CE LYS A 91 10.178 21.313 2.758 1.00 0.00 C ATOM 1458 NZ LYS A 91 11.343 22.177 3.052 1.00 0.00 N ATOM 0 H LYS A 91 7.438 16.903 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 91 10.323 16.838 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.641 18.978 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.257 18.727 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.547 18.901 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.046 18.507 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.424 20.679 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.750 20.949 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.277 21.921 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.021 20.613 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.178 22.692 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.196 21.590 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.475 22.858 2.277 1.00 0.00 H new ATOM 1472 N GLU A 92 8.920 16.139 2.522 1.00 0.00 N ATOM 1473 CA GLU A 92 9.159 15.512 3.811 1.00 0.00 C ATOM 1474 C GLU A 92 9.763 14.119 3.620 1.00 0.00 C ATOM 1475 O GLU A 92 10.810 13.809 4.186 1.00 0.00 O ATOM 1476 CB GLU A 92 7.872 15.443 4.635 1.00 0.00 C ATOM 1477 CG GLU A 92 7.530 16.810 5.232 1.00 0.00 C ATOM 1478 CD GLU A 92 7.749 16.816 6.747 1.00 0.00 C ATOM 1479 OE1 GLU A 92 6.956 16.141 7.437 1.00 0.00 O ATOM 1480 OE2 GLU A 92 8.704 17.497 7.179 1.00 0.00 O ATOM 0 H GLU A 92 7.955 16.427 2.360 1.00 0.00 H new ATOM 0 HA GLU A 92 9.872 16.124 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.051 15.101 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.987 14.711 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.148 17.579 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.492 17.059 5.010 1.00 0.00 H new ATOM 1487 N SER A 93 9.076 13.316 2.820 1.00 0.00 N ATOM 1488 CA SER A 93 9.531 11.963 2.547 1.00 0.00 C ATOM 1489 C SER A 93 11.024 11.971 2.213 1.00 0.00 C ATOM 1490 O SER A 93 11.509 12.881 1.543 1.00 0.00 O ATOM 1491 CB SER A 93 8.734 11.335 1.402 1.00 0.00 C ATOM 1492 OG SER A 93 8.199 10.063 1.760 1.00 0.00 O ATOM 0 H SER A 93 8.208 13.577 2.352 1.00 0.00 H new ATOM 0 HA SER A 93 9.368 11.360 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.921 12.003 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.378 11.225 0.529 1.00 0.00 H new ATOM 0 HG SER A 93 7.696 9.695 1.004 1.00 0.00 H new ATOM 1498 N SER A 94 11.711 10.946 2.695 1.00 0.00 N ATOM 1499 CA SER A 94 13.139 10.823 2.456 1.00 0.00 C ATOM 1500 C SER A 94 13.412 9.648 1.515 1.00 0.00 C ATOM 1501 O SER A 94 14.088 9.807 0.499 1.00 0.00 O ATOM 1502 CB SER A 94 13.903 10.640 3.769 1.00 0.00 C ATOM 1503 OG SER A 94 14.022 11.862 4.492 1.00 0.00 O ATOM 0 H SER A 94 11.305 10.193 3.250 1.00 0.00 H new ATOM 0 HA SER A 94 13.489 11.744 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.391 9.902 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.897 10.245 3.558 1.00 0.00 H new ATOM 0 HG SER A 94 14.514 11.703 5.324 1.00 0.00 H new ATOM 1509 N GLY A 95 12.874 8.496 1.886 1.00 0.00 N ATOM 1510 CA GLY A 95 13.051 7.295 1.087 1.00 0.00 C ATOM 1511 C GLY A 95 14.534 7.029 0.819 1.00 0.00 C ATOM 1512 O GLY A 95 15.400 7.607 1.473 1.00 0.00 O ATOM 0 H GLY A 95 12.315 8.368 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.612 6.442 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.520 7.402 0.141 1.00 0.00 H new ATOM 1516 N PRO A 96 14.787 6.131 -0.171 1.00 0.00 N ATOM 1517 CA PRO A 96 16.150 5.782 -0.533 1.00 0.00 C ATOM 1518 C PRO A 96 16.809 6.905 -1.337 1.00 0.00 C ATOM 1519 O PRO A 96 17.252 6.689 -2.464 1.00 0.00 O ATOM 1520 CB PRO A 96 16.029 4.484 -1.316 1.00 0.00 C ATOM 1521 CG PRO A 96 14.578 4.400 -1.760 1.00 0.00 C ATOM 1522 CD PRO A 96 13.787 5.427 -0.967 1.00 0.00 C ATOM 0 HA PRO A 96 16.795 5.650 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.701 4.481 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.299 3.628 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.494 4.596 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.184 3.399 -1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 96 13.253 6.111 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.041 4.948 -0.332 1.00 0.00 H new ATOM 1530 N SER A 97 16.853 8.080 -0.726 1.00 0.00 N ATOM 1531 CA SER A 97 17.450 9.237 -1.370 1.00 0.00 C ATOM 1532 C SER A 97 17.372 10.451 -0.442 1.00 0.00 C ATOM 1533 O SER A 97 16.463 11.270 -0.561 1.00 0.00 O ATOM 1534 CB SER A 97 16.761 9.542 -2.702 1.00 0.00 C ATOM 1535 OG SER A 97 17.307 10.697 -3.333 1.00 0.00 O ATOM 0 H SER A 97 16.485 8.255 0.209 1.00 0.00 H new ATOM 0 HA SER A 97 18.496 9.012 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 97 16.861 8.684 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.695 9.691 -2.533 1.00 0.00 H new ATOM 0 HG SER A 97 16.842 10.857 -4.181 1.00 0.00 H new ATOM 1541 N SER A 98 18.338 10.527 0.461 1.00 0.00 N ATOM 1542 CA SER A 98 18.391 11.627 1.409 1.00 0.00 C ATOM 1543 C SER A 98 18.887 12.895 0.712 1.00 0.00 C ATOM 1544 O SER A 98 20.092 13.115 0.600 1.00 0.00 O ATOM 1545 CB SER A 98 19.292 11.287 2.598 1.00 0.00 C ATOM 1546 OG SER A 98 18.636 11.503 3.844 1.00 0.00 O ATOM 0 H SER A 98 19.090 9.845 0.556 1.00 0.00 H new ATOM 0 HA SER A 98 17.384 11.800 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.605 10.245 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.195 11.895 2.554 1.00 0.00 H new ATOM 0 HG SER A 98 19.244 11.273 4.578 1.00 0.00 H new ATOM 1552 N GLY A 99 17.933 13.697 0.262 1.00 0.00 N ATOM 1553 CA GLY A 99 18.258 14.937 -0.421 1.00 0.00 C ATOM 1554 C GLY A 99 17.648 16.139 0.304 1.00 0.00 C ATOM 1555 O GLY A 99 17.186 17.084 -0.334 1.00 0.00 O ATOM 0 H GLY A 99 16.935 13.512 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.340 15.053 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 99 17.888 14.900 -1.446 1.00 0.00 H new TER 1559 GLY A 99