USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 ASN : amide:sc= -0.515 K(o=-0.51,f=-2.4!) USER MOD Set 1.2: A 35 GLN : amide:sc= 0 X(o=-0.51,f=-0.51) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc=-0.00216 (180deg=-0.0935) USER MOD Single : A 26 TYR OH : rot -82:sc= 0.0359 USER MOD Single : A 28 LYS NZ :NH3+ 134:sc= -0.934 (180deg=-2.51!) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.617 (180deg=-1.1) USER MOD Single : A 42 SER OG : rot 170:sc= -0.702 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00035 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 50:sc= 0.518 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -114:sc= -0.389 (180deg=-5.06!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0222 (180deg=-0.239) USER MOD Single : A 55 THR OG1 : rot -75:sc= 0.578 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 0.944 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.596 -16.335 -0.531 1.00 0.00 N ATOM 2 CA GLY A 1 3.903 -16.092 -1.113 1.00 0.00 C ATOM 3 C GLY A 1 4.879 -15.498 -0.116 1.00 0.00 C ATOM 4 O GLY A 1 4.935 -14.281 0.059 1.00 0.00 O ATOM 0 H1 GLY A 1 1.965 -16.741 -1.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.688 -17.000 0.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.197 -15.438 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.306 -17.029 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.800 -15.417 -1.962 1.00 0.00 H new ATOM 8 N SER A 2 5.650 -16.360 0.540 1.00 0.00 N ATOM 9 CA SER A 2 6.625 -15.915 1.529 1.00 0.00 C ATOM 10 C SER A 2 7.969 -15.621 0.870 1.00 0.00 C ATOM 11 O SER A 2 8.586 -16.502 0.272 1.00 0.00 O ATOM 12 CB SER A 2 6.798 -16.975 2.618 1.00 0.00 C ATOM 13 OG SER A 2 5.783 -16.866 3.601 1.00 0.00 O ATOM 0 H SER A 2 5.618 -17.370 0.404 1.00 0.00 H new ATOM 0 HA SER A 2 6.254 -14.996 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.770 -17.969 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.776 -16.864 3.086 1.00 0.00 H new ATOM 0 HG SER A 2 5.915 -17.555 4.285 1.00 0.00 H new ATOM 19 N SER A 3 8.418 -14.375 0.987 1.00 0.00 N ATOM 20 CA SER A 3 9.689 -13.962 0.401 1.00 0.00 C ATOM 21 C SER A 3 9.767 -14.371 -1.067 1.00 0.00 C ATOM 22 O SER A 3 10.802 -14.842 -1.537 1.00 0.00 O ATOM 23 CB SER A 3 10.855 -14.576 1.177 1.00 0.00 C ATOM 24 OG SER A 3 11.263 -13.731 2.238 1.00 0.00 O ATOM 0 H SER A 3 7.921 -13.634 1.482 1.00 0.00 H new ATOM 0 HA SER A 3 9.755 -12.876 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.560 -15.547 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.694 -14.749 0.503 1.00 0.00 H new ATOM 0 HG SER A 3 12.008 -14.147 2.719 1.00 0.00 H new ATOM 30 N GLY A 4 8.665 -14.186 -1.787 1.00 0.00 N ATOM 31 CA GLY A 4 8.629 -14.540 -3.194 1.00 0.00 C ATOM 32 C GLY A 4 9.610 -13.733 -4.020 1.00 0.00 C ATOM 33 O GLY A 4 10.762 -14.131 -4.193 1.00 0.00 O ATOM 0 H GLY A 4 7.796 -13.797 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.853 -15.601 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.621 -14.385 -3.579 1.00 0.00 H new ATOM 37 N SER A 5 9.154 -12.595 -4.533 1.00 0.00 N ATOM 38 CA SER A 5 9.999 -11.732 -5.350 1.00 0.00 C ATOM 39 C SER A 5 9.323 -10.386 -5.596 1.00 0.00 C ATOM 40 O SER A 5 8.101 -10.266 -5.509 1.00 0.00 O ATOM 41 CB SER A 5 10.313 -12.408 -6.686 1.00 0.00 C ATOM 42 OG SER A 5 11.544 -11.945 -7.214 1.00 0.00 O ATOM 0 H SER A 5 8.204 -12.249 -4.397 1.00 0.00 H new ATOM 0 HA SER A 5 10.930 -11.559 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.356 -13.489 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.511 -12.208 -7.396 1.00 0.00 H new ATOM 0 HG SER A 5 11.723 -12.393 -8.067 1.00 0.00 H new ATOM 48 N SER A 6 10.129 -9.373 -5.903 1.00 0.00 N ATOM 49 CA SER A 6 9.611 -8.035 -6.156 1.00 0.00 C ATOM 50 C SER A 6 8.728 -8.021 -7.401 1.00 0.00 C ATOM 51 O SER A 6 9.222 -7.957 -8.526 1.00 0.00 O ATOM 52 CB SER A 6 10.764 -7.042 -6.324 1.00 0.00 C ATOM 53 OG SER A 6 10.298 -5.706 -6.271 1.00 0.00 O ATOM 0 H SER A 6 11.143 -9.455 -5.982 1.00 0.00 H new ATOM 0 HA SER A 6 9.007 -7.738 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.504 -7.204 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.264 -7.218 -7.276 1.00 0.00 H new ATOM 0 HG SER A 6 11.054 -5.091 -6.379 1.00 0.00 H new ATOM 59 N GLY A 7 7.416 -8.080 -7.189 1.00 0.00 N ATOM 60 CA GLY A 7 6.485 -8.073 -8.301 1.00 0.00 C ATOM 61 C GLY A 7 5.376 -7.055 -8.122 1.00 0.00 C ATOM 62 O GLY A 7 5.251 -6.120 -8.911 1.00 0.00 O ATOM 0 H GLY A 7 6.983 -8.132 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.026 -7.858 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.048 -9.066 -8.412 1.00 0.00 H new ATOM 66 N MET A 8 4.568 -7.239 -7.083 1.00 0.00 N ATOM 67 CA MET A 8 3.464 -6.328 -6.803 1.00 0.00 C ATOM 68 C MET A 8 3.676 -5.606 -5.477 1.00 0.00 C ATOM 69 O MET A 8 4.541 -5.984 -4.686 1.00 0.00 O ATOM 70 CB MET A 8 2.139 -7.094 -6.774 1.00 0.00 C ATOM 71 CG MET A 8 1.515 -7.281 -8.147 1.00 0.00 C ATOM 72 SD MET A 8 2.540 -8.277 -9.245 1.00 0.00 S ATOM 73 CE MET A 8 1.354 -8.710 -10.516 1.00 0.00 C ATOM 0 H MET A 8 4.657 -8.010 -6.421 1.00 0.00 H new ATOM 0 HA MET A 8 3.429 -5.584 -7.599 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.304 -8.072 -6.323 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.435 -6.562 -6.134 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.540 -7.755 -8.037 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.345 -6.305 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.839 -9.328 -11.271 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.528 -9.264 -10.070 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.972 -7.802 -10.982 1.00 0.00 H new ATOM 83 N GLU A 9 2.884 -4.564 -5.241 1.00 0.00 N ATOM 84 CA GLU A 9 2.989 -3.790 -4.011 1.00 0.00 C ATOM 85 C GLU A 9 1.914 -4.207 -3.011 1.00 0.00 C ATOM 86 O GLU A 9 0.955 -4.892 -3.366 1.00 0.00 O ATOM 87 CB GLU A 9 2.866 -2.294 -4.312 1.00 0.00 C ATOM 88 CG GLU A 9 4.165 -1.659 -4.779 1.00 0.00 C ATOM 89 CD GLU A 9 4.856 -2.469 -5.858 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.450 -3.517 -5.525 1.00 0.00 O ATOM 91 OE2 GLU A 9 4.805 -2.056 -7.035 1.00 0.00 O ATOM 0 H GLU A 9 2.164 -4.238 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 9 3.967 -3.987 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.104 -2.147 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.521 -1.779 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.960 -0.657 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.837 -1.547 -3.928 1.00 0.00 H new ATOM 98 N GLU A 10 2.083 -3.790 -1.760 1.00 0.00 N ATOM 99 CA GLU A 10 1.128 -4.123 -0.710 1.00 0.00 C ATOM 100 C GLU A 10 1.375 -3.278 0.537 1.00 0.00 C ATOM 101 O GLU A 10 2.459 -3.314 1.119 1.00 0.00 O ATOM 102 CB GLU A 10 1.221 -5.609 -0.358 1.00 0.00 C ATOM 103 CG GLU A 10 0.044 -6.115 0.459 1.00 0.00 C ATOM 104 CD GLU A 10 -1.137 -6.515 -0.404 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.969 -7.406 -1.263 1.00 0.00 O ATOM 106 OE2 GLU A 10 -2.229 -5.936 -0.223 1.00 0.00 O ATOM 0 H GLU A 10 2.871 -3.222 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 10 0.127 -3.907 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.289 -6.188 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.141 -5.785 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.361 -6.972 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.268 -5.339 1.158 1.00 0.00 H new ATOM 113 N TRP A 11 0.362 -2.519 0.940 1.00 0.00 N ATOM 114 CA TRP A 11 0.469 -1.665 2.117 1.00 0.00 C ATOM 115 C TRP A 11 -0.350 -2.227 3.274 1.00 0.00 C ATOM 116 O TRP A 11 -1.121 -3.170 3.100 1.00 0.00 O ATOM 117 CB TRP A 11 0.003 -0.246 1.786 1.00 0.00 C ATOM 118 CG TRP A 11 0.953 0.500 0.899 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.410 0.107 -0.327 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.563 1.766 1.171 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.268 1.054 -0.833 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.378 2.081 0.066 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.499 2.666 2.238 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.122 3.256 0.000 1.00 0.00 C ATOM 125 CZ3 TRP A 11 2.239 3.831 2.173 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.041 4.119 1.060 1.00 0.00 C ATOM 0 H TRP A 11 -0.542 -2.478 0.469 1.00 0.00 H new ATOM 0 HA TRP A 11 1.516 -1.634 2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.972 -0.295 1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.130 0.311 2.714 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.137 -0.812 -0.825 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.746 1.000 -1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.882 2.455 3.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.741 3.479 -0.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.199 4.532 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.606 5.039 1.038 1.00 0.00 H new ATOM 137 N SER A 12 -0.178 -1.640 4.454 1.00 0.00 N ATOM 138 CA SER A 12 -0.901 -2.085 5.640 1.00 0.00 C ATOM 139 C SER A 12 -1.592 -0.911 6.329 1.00 0.00 C ATOM 140 O SER A 12 -1.390 0.245 5.958 1.00 0.00 O ATOM 141 CB SER A 12 0.056 -2.772 6.618 1.00 0.00 C ATOM 142 OG SER A 12 0.532 -3.996 6.088 1.00 0.00 O ATOM 0 H SER A 12 0.455 -0.856 4.614 1.00 0.00 H new ATOM 0 HA SER A 12 -1.663 -2.798 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.897 -2.113 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.454 -2.955 7.564 1.00 0.00 H new ATOM 0 HG SER A 12 1.143 -4.415 6.730 1.00 0.00 H new ATOM 148 N ALA A 13 -2.407 -1.218 7.332 1.00 0.00 N ATOM 149 CA ALA A 13 -3.127 -0.190 8.073 1.00 0.00 C ATOM 150 C ALA A 13 -2.167 0.845 8.649 1.00 0.00 C ATOM 151 O ALA A 13 -2.327 2.045 8.427 1.00 0.00 O ATOM 152 CB ALA A 13 -3.954 -0.821 9.183 1.00 0.00 C ATOM 0 H ALA A 13 -2.585 -2.170 7.650 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.797 0.320 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.486 -0.042 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.673 -1.517 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.296 -1.357 9.867 1.00 0.00 H new ATOM 158 N SER A 14 -1.169 0.373 9.389 1.00 0.00 N ATOM 159 CA SER A 14 -0.185 1.258 10.000 1.00 0.00 C ATOM 160 C SER A 14 0.508 2.113 8.943 1.00 0.00 C ATOM 161 O SER A 14 0.520 3.340 9.032 1.00 0.00 O ATOM 162 CB SER A 14 0.853 0.445 10.776 1.00 0.00 C ATOM 163 OG SER A 14 0.347 0.042 12.037 1.00 0.00 O ATOM 0 H SER A 14 -1.021 -0.618 9.580 1.00 0.00 H new ATOM 0 HA SER A 14 -0.708 1.919 10.691 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.138 -0.434 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.755 1.041 10.916 1.00 0.00 H new ATOM 0 HG SER A 14 1.029 -0.477 12.512 1.00 0.00 H new ATOM 169 N GLU A 15 1.086 1.454 7.944 1.00 0.00 N ATOM 170 CA GLU A 15 1.782 2.151 6.870 1.00 0.00 C ATOM 171 C GLU A 15 0.877 3.198 6.225 1.00 0.00 C ATOM 172 O GLU A 15 1.273 4.349 6.044 1.00 0.00 O ATOM 173 CB GLU A 15 2.264 1.157 5.813 1.00 0.00 C ATOM 174 CG GLU A 15 3.381 0.247 6.296 1.00 0.00 C ATOM 175 CD GLU A 15 3.636 -0.915 5.356 1.00 0.00 C ATOM 176 OE1 GLU A 15 2.659 -1.588 4.965 1.00 0.00 O ATOM 177 OE2 GLU A 15 4.813 -1.151 5.012 1.00 0.00 O ATOM 0 H GLU A 15 1.086 0.438 7.856 1.00 0.00 H new ATOM 0 HA GLU A 15 2.646 2.657 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.422 0.545 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.609 1.709 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.296 0.829 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.129 -0.139 7.284 1.00 0.00 H new ATOM 184 N ALA A 16 -0.339 2.788 5.881 1.00 0.00 N ATOM 185 CA ALA A 16 -1.300 3.689 5.257 1.00 0.00 C ATOM 186 C ALA A 16 -1.452 4.973 6.065 1.00 0.00 C ATOM 187 O ALA A 16 -1.163 6.065 5.573 1.00 0.00 O ATOM 188 CB ALA A 16 -2.647 2.998 5.102 1.00 0.00 C ATOM 0 H ALA A 16 -0.682 1.838 6.024 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.924 3.954 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.355 3.682 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.532 2.112 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.020 2.704 6.083 1.00 0.00 H new ATOM 194 N CYS A 17 -1.909 4.837 7.305 1.00 0.00 N ATOM 195 CA CYS A 17 -2.101 5.988 8.180 1.00 0.00 C ATOM 196 C CYS A 17 -0.881 6.902 8.151 1.00 0.00 C ATOM 197 O CYS A 17 -1.009 8.122 8.040 1.00 0.00 O ATOM 198 CB CYS A 17 -2.372 5.525 9.613 1.00 0.00 C ATOM 199 SG CYS A 17 -2.552 6.875 10.802 1.00 0.00 S ATOM 0 H CYS A 17 -2.153 3.941 7.727 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.962 6.550 7.818 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.280 4.922 9.623 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.556 4.878 9.935 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.780 6.385 11.984 1.00 0.00 H new ATOM 205 N LEU A 18 0.302 6.306 8.253 1.00 0.00 N ATOM 206 CA LEU A 18 1.546 7.067 8.239 1.00 0.00 C ATOM 207 C LEU A 18 1.598 8.006 7.038 1.00 0.00 C ATOM 208 O LEU A 18 1.969 9.173 7.163 1.00 0.00 O ATOM 209 CB LEU A 18 2.747 6.120 8.213 1.00 0.00 C ATOM 210 CG LEU A 18 3.295 5.694 9.575 1.00 0.00 C ATOM 211 CD1 LEU A 18 4.167 4.455 9.435 1.00 0.00 C ATOM 212 CD2 LEU A 18 4.081 6.831 10.213 1.00 0.00 C ATOM 0 H LEU A 18 0.426 5.298 8.346 1.00 0.00 H new ATOM 0 HA LEU A 18 1.585 7.668 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.466 5.224 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.551 6.600 7.654 1.00 0.00 H new ATOM 0 HG LEU A 18 2.454 5.451 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.549 4.166 10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.575 3.639 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.003 4.672 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.464 6.510 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.915 7.105 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.428 7.693 10.348 1.00 0.00 H new ATOM 224 N PHE A 19 1.221 7.489 5.873 1.00 0.00 N ATOM 225 CA PHE A 19 1.223 8.280 4.648 1.00 0.00 C ATOM 226 C PHE A 19 0.220 9.427 4.741 1.00 0.00 C ATOM 227 O PHE A 19 0.597 10.598 4.704 1.00 0.00 O ATOM 228 CB PHE A 19 0.893 7.396 3.443 1.00 0.00 C ATOM 229 CG PHE A 19 0.660 8.170 2.178 1.00 0.00 C ATOM 230 CD1 PHE A 19 1.727 8.605 1.408 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.627 8.464 1.758 1.00 0.00 C ATOM 232 CE1 PHE A 19 1.516 9.317 0.243 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.845 9.175 0.593 1.00 0.00 C ATOM 234 CZ PHE A 19 0.226 9.603 -0.165 1.00 0.00 C ATOM 0 H PHE A 19 0.910 6.525 5.752 1.00 0.00 H new ATOM 0 HA PHE A 19 2.220 8.701 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.710 6.693 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.004 6.806 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.736 8.385 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.470 8.134 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.357 9.650 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.854 9.396 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.057 10.160 -1.075 1.00 0.00 H new ATOM 244 N GLU A 20 -1.057 9.080 4.860 1.00 0.00 N ATOM 245 CA GLU A 20 -2.114 10.081 4.956 1.00 0.00 C ATOM 246 C GLU A 20 -1.653 11.282 5.776 1.00 0.00 C ATOM 247 O GLU A 20 -1.789 12.427 5.347 1.00 0.00 O ATOM 248 CB GLU A 20 -3.368 9.471 5.584 1.00 0.00 C ATOM 249 CG GLU A 20 -4.311 8.841 4.573 1.00 0.00 C ATOM 250 CD GLU A 20 -5.305 9.834 4.005 1.00 0.00 C ATOM 251 OE1 GLU A 20 -4.869 10.779 3.314 1.00 0.00 O ATOM 252 OE2 GLU A 20 -6.519 9.667 4.249 1.00 0.00 O ATOM 0 H GLU A 20 -1.385 8.115 4.892 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.350 10.421 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.069 8.715 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.903 10.246 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.729 8.409 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.852 8.022 5.047 1.00 0.00 H new ATOM 259 N GLU A 21 -1.109 11.010 6.959 1.00 0.00 N ATOM 260 CA GLU A 21 -0.630 12.069 7.839 1.00 0.00 C ATOM 261 C GLU A 21 0.612 12.740 7.258 1.00 0.00 C ATOM 262 O GLU A 21 0.823 13.939 7.436 1.00 0.00 O ATOM 263 CB GLU A 21 -0.316 11.505 9.227 1.00 0.00 C ATOM 264 CG GLU A 21 0.823 10.500 9.232 1.00 0.00 C ATOM 265 CD GLU A 21 1.401 10.280 10.617 1.00 0.00 C ATOM 266 OE1 GLU A 21 0.861 9.428 11.355 1.00 0.00 O ATOM 267 OE2 GLU A 21 2.390 10.959 10.963 1.00 0.00 O ATOM 0 H GLU A 21 -0.990 10.067 7.329 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.418 12.817 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.066 12.328 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.211 11.029 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.465 9.549 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.612 10.847 8.564 1.00 0.00 H new ATOM 274 N ALA A 22 1.431 11.956 6.564 1.00 0.00 N ATOM 275 CA ALA A 22 2.650 12.473 5.956 1.00 0.00 C ATOM 276 C ALA A 22 2.341 13.611 4.989 1.00 0.00 C ATOM 277 O ALA A 22 2.972 14.668 5.037 1.00 0.00 O ATOM 278 CB ALA A 22 3.396 11.357 5.238 1.00 0.00 C ATOM 0 H ALA A 22 1.272 10.960 6.409 1.00 0.00 H new ATOM 0 HA ALA A 22 3.284 12.867 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.305 11.757 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.658 10.576 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.760 10.937 4.459 1.00 0.00 H new ATOM 284 N LEU A 23 1.368 13.390 4.114 1.00 0.00 N ATOM 285 CA LEU A 23 0.975 14.398 3.134 1.00 0.00 C ATOM 286 C LEU A 23 0.429 15.644 3.825 1.00 0.00 C ATOM 287 O LEU A 23 0.449 16.737 3.259 1.00 0.00 O ATOM 288 CB LEU A 23 -0.075 13.829 2.179 1.00 0.00 C ATOM 289 CG LEU A 23 -0.098 14.427 0.773 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.215 14.153 0.055 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.270 13.872 -0.024 1.00 0.00 C ATOM 0 H LEU A 23 0.835 12.522 4.062 1.00 0.00 H new ATOM 0 HA LEU A 23 1.860 14.679 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.086 12.754 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.059 13.969 2.628 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.223 15.506 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.180 14.586 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.036 14.599 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.370 13.077 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.270 14.309 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.177 12.789 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.204 14.120 0.481 1.00 0.00 H new ATOM 303 N GLU A 24 -0.055 15.471 5.051 1.00 0.00 N ATOM 304 CA GLU A 24 -0.605 16.583 5.818 1.00 0.00 C ATOM 305 C GLU A 24 0.496 17.316 6.578 1.00 0.00 C ATOM 306 O GLU A 24 0.481 18.542 6.689 1.00 0.00 O ATOM 307 CB GLU A 24 -1.668 16.079 6.797 1.00 0.00 C ATOM 308 CG GLU A 24 -2.903 15.513 6.117 1.00 0.00 C ATOM 309 CD GLU A 24 -3.757 14.682 7.056 1.00 0.00 C ATOM 310 OE1 GLU A 24 -3.202 14.115 8.019 1.00 0.00 O ATOM 311 OE2 GLU A 24 -4.982 14.600 6.825 1.00 0.00 O ATOM 0 H GLU A 24 -0.077 14.573 5.534 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.067 17.281 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.229 15.310 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.967 16.899 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.501 16.332 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.597 14.899 5.270 1.00 0.00 H new ATOM 318 N LYS A 25 1.452 16.556 7.103 1.00 0.00 N ATOM 319 CA LYS A 25 2.562 17.131 7.852 1.00 0.00 C ATOM 320 C LYS A 25 3.607 17.721 6.911 1.00 0.00 C ATOM 321 O LYS A 25 3.849 18.929 6.915 1.00 0.00 O ATOM 322 CB LYS A 25 3.207 16.067 8.744 1.00 0.00 C ATOM 323 CG LYS A 25 3.872 16.637 9.985 1.00 0.00 C ATOM 324 CD LYS A 25 4.812 15.629 10.627 1.00 0.00 C ATOM 325 CE LYS A 25 5.887 16.317 11.454 1.00 0.00 C ATOM 326 NZ LYS A 25 6.918 16.963 10.596 1.00 0.00 N ATOM 0 H LYS A 25 1.480 15.540 7.023 1.00 0.00 H new ATOM 0 HA LYS A 25 2.169 17.932 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.445 15.349 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.949 15.519 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.427 17.537 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.109 16.934 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.241 14.951 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.280 15.022 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.426 17.068 12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.364 15.588 12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.739 17.227 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.219 16.299 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.518 17.816 10.155 1.00 0.00 H new ATOM 340 N TYR A 26 4.222 16.864 6.104 1.00 0.00 N ATOM 341 CA TYR A 26 5.241 17.300 5.158 1.00 0.00 C ATOM 342 C TYR A 26 4.603 17.869 3.894 1.00 0.00 C ATOM 343 O TYR A 26 4.741 19.054 3.594 1.00 0.00 O ATOM 344 CB TYR A 26 6.164 16.136 4.797 1.00 0.00 C ATOM 345 CG TYR A 26 7.264 15.900 5.806 1.00 0.00 C ATOM 346 CD1 TYR A 26 8.008 16.958 6.313 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.560 14.619 6.255 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.015 16.748 7.235 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.564 14.398 7.178 1.00 0.00 C ATOM 350 CZ TYR A 26 9.289 15.466 7.664 1.00 0.00 C ATOM 351 OH TYR A 26 10.290 15.251 8.584 1.00 0.00 O ATOM 0 H TYR A 26 4.032 15.862 6.086 1.00 0.00 H new ATOM 0 HA TYR A 26 5.828 18.086 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.569 15.228 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.612 16.327 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.795 17.963 5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.995 13.781 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.584 17.582 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.780 13.395 7.517 1.00 0.00 H new ATOM 0 HH TYR A 26 11.156 15.231 8.126 1.00 0.00 H new ATOM 361 N GLY A 27 3.903 17.013 3.156 1.00 0.00 N ATOM 362 CA GLY A 27 3.253 17.446 1.932 1.00 0.00 C ATOM 363 C GLY A 27 3.706 16.654 0.723 1.00 0.00 C ATOM 364 O GLY A 27 4.006 15.464 0.827 1.00 0.00 O ATOM 0 H GLY A 27 3.774 16.027 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.173 17.347 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.461 18.503 1.768 1.00 0.00 H new ATOM 368 N LYS A 28 3.754 17.312 -0.430 1.00 0.00 N ATOM 369 CA LYS A 28 4.174 16.662 -1.666 1.00 0.00 C ATOM 370 C LYS A 28 5.690 16.504 -1.712 1.00 0.00 C ATOM 371 O LYS A 28 6.326 16.818 -2.717 1.00 0.00 O ATOM 372 CB LYS A 28 3.698 17.469 -2.877 1.00 0.00 C ATOM 373 CG LYS A 28 2.193 17.435 -3.077 1.00 0.00 C ATOM 374 CD LYS A 28 1.730 16.088 -3.604 1.00 0.00 C ATOM 375 CE LYS A 28 2.056 15.924 -5.080 1.00 0.00 C ATOM 376 NZ LYS A 28 3.422 15.371 -5.289 1.00 0.00 N ATOM 0 H LYS A 28 3.507 18.296 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 28 3.723 15.670 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.017 18.505 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.184 17.084 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.695 17.647 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.900 18.220 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.207 15.290 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.655 15.988 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.322 15.264 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.975 16.890 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.384 14.610 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.054 16.125 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.784 14.990 -4.391 1.00 0.00 H new ATOM 390 N ASP A 29 6.261 16.015 -0.617 1.00 0.00 N ATOM 391 CA ASP A 29 7.703 15.813 -0.532 1.00 0.00 C ATOM 392 C ASP A 29 8.029 14.378 -0.129 1.00 0.00 C ATOM 393 O ASP A 29 8.414 14.113 1.009 1.00 0.00 O ATOM 394 CB ASP A 29 8.319 16.789 0.472 1.00 0.00 C ATOM 395 CG ASP A 29 8.745 18.093 -0.175 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.661 18.063 -1.022 1.00 0.00 O ATOM 397 OD2 ASP A 29 8.162 19.143 0.167 1.00 0.00 O ATOM 0 H ASP A 29 5.748 15.751 0.224 1.00 0.00 H new ATOM 0 HA ASP A 29 8.129 16.001 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.597 16.997 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.183 16.322 0.945 1.00 0.00 H new ATOM 402 N PHE A 30 7.867 13.454 -1.071 1.00 0.00 N ATOM 403 CA PHE A 30 8.142 12.045 -0.814 1.00 0.00 C ATOM 404 C PHE A 30 9.498 11.868 -0.138 1.00 0.00 C ATOM 405 O PHE A 30 9.653 11.045 0.763 1.00 0.00 O ATOM 406 CB PHE A 30 8.102 11.249 -2.120 1.00 0.00 C ATOM 407 CG PHE A 30 7.087 11.759 -3.103 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.817 12.118 -2.683 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.404 11.880 -4.446 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.881 12.588 -3.585 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.472 12.349 -5.353 1.00 0.00 C ATOM 412 CZ PHE A 30 5.209 12.704 -4.921 1.00 0.00 C ATOM 0 H PHE A 30 7.547 13.656 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 30 7.371 11.668 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.089 11.275 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.884 10.205 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.555 12.030 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.391 11.605 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.894 12.864 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.731 12.438 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.479 13.072 -5.627 1.00 0.00 H new ATOM 422 N ASN A 31 10.479 12.650 -0.582 1.00 0.00 N ATOM 423 CA ASN A 31 11.824 12.580 -0.021 1.00 0.00 C ATOM 424 C ASN A 31 11.790 12.742 1.495 1.00 0.00 C ATOM 425 O ASN A 31 12.272 11.882 2.233 1.00 0.00 O ATOM 426 CB ASN A 31 12.713 13.658 -0.642 1.00 0.00 C ATOM 427 CG ASN A 31 14.092 13.703 -0.012 1.00 0.00 C ATOM 428 OD1 ASN A 31 14.243 14.078 1.151 1.00 0.00 O ATOM 429 ND2 ASN A 31 15.106 13.321 -0.780 1.00 0.00 N ATOM 0 H ASN A 31 10.367 13.338 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 31 12.238 11.599 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.811 13.473 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.233 14.630 -0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.057 13.331 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.934 13.018 -1.739 1.00 0.00 H new ATOM 436 N ASP A 32 11.217 13.849 1.953 1.00 0.00 N ATOM 437 CA ASP A 32 11.119 14.124 3.383 1.00 0.00 C ATOM 438 C ASP A 32 10.529 12.930 4.127 1.00 0.00 C ATOM 439 O ASP A 32 11.107 12.445 5.099 1.00 0.00 O ATOM 440 CB ASP A 32 10.262 15.367 3.626 1.00 0.00 C ATOM 441 CG ASP A 32 10.658 16.106 4.890 1.00 0.00 C ATOM 442 OD1 ASP A 32 11.137 15.446 5.836 1.00 0.00 O ATOM 443 OD2 ASP A 32 10.490 17.342 4.933 1.00 0.00 O ATOM 0 H ASP A 32 10.813 14.571 1.356 1.00 0.00 H new ATOM 0 HA ASP A 32 12.124 14.305 3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.352 16.039 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.214 15.075 3.693 1.00 0.00 H new ATOM 448 N ILE A 33 9.375 12.462 3.663 1.00 0.00 N ATOM 449 CA ILE A 33 8.708 11.325 4.283 1.00 0.00 C ATOM 450 C ILE A 33 9.602 10.089 4.273 1.00 0.00 C ATOM 451 O ILE A 33 10.063 9.635 5.320 1.00 0.00 O ATOM 452 CB ILE A 33 7.383 10.992 3.573 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.475 12.223 3.537 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.684 9.833 4.268 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.551 12.258 2.340 1.00 0.00 C ATOM 0 H ILE A 33 8.883 12.853 2.860 1.00 0.00 H new ATOM 0 HA ILE A 33 8.496 11.609 5.314 1.00 0.00 H new ATOM 0 HB ILE A 33 7.603 10.695 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.877 12.250 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.093 13.121 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.749 9.611 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.328 8.954 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.473 10.103 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.937 13.158 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.142 12.263 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.907 11.379 2.352 1.00 0.00 H new ATOM 467 N ARG A 34 9.844 9.551 3.082 1.00 0.00 N ATOM 468 CA ARG A 34 10.683 8.368 2.934 1.00 0.00 C ATOM 469 C ARG A 34 11.951 8.494 3.774 1.00 0.00 C ATOM 470 O ARG A 34 12.580 7.492 4.116 1.00 0.00 O ATOM 471 CB ARG A 34 11.052 8.159 1.463 1.00 0.00 C ATOM 472 CG ARG A 34 12.204 7.190 1.257 1.00 0.00 C ATOM 473 CD ARG A 34 12.740 7.257 -0.164 1.00 0.00 C ATOM 474 NE ARG A 34 13.520 6.072 -0.512 1.00 0.00 N ATOM 475 CZ ARG A 34 14.810 5.930 -0.223 1.00 0.00 C ATOM 476 NH1 ARG A 34 15.459 6.895 0.416 1.00 0.00 N ATOM 477 NH2 ARG A 34 15.451 4.822 -0.571 1.00 0.00 N ATOM 0 H ARG A 34 9.471 9.916 2.206 1.00 0.00 H new ATOM 0 HA ARG A 34 10.118 7.505 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.178 7.790 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.314 9.121 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.004 7.420 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.871 6.175 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.908 7.361 -0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.362 8.145 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 34 13.049 5.312 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.968 7.747 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.449 6.784 0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.954 4.078 -1.061 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.441 4.714 -0.349 1.00 0.00 H new ATOM 491 N GLN A 35 12.318 9.727 4.103 1.00 0.00 N ATOM 492 CA GLN A 35 13.510 9.982 4.902 1.00 0.00 C ATOM 493 C GLN A 35 13.350 9.423 6.313 1.00 0.00 C ATOM 494 O GLN A 35 14.075 8.513 6.716 1.00 0.00 O ATOM 495 CB GLN A 35 13.797 11.483 4.965 1.00 0.00 C ATOM 496 CG GLN A 35 15.239 11.812 5.318 1.00 0.00 C ATOM 497 CD GLN A 35 15.566 13.280 5.124 1.00 0.00 C ATOM 498 OE1 GLN A 35 15.731 13.747 3.997 1.00 0.00 O ATOM 499 NE2 GLN A 35 15.662 14.016 6.225 1.00 0.00 N ATOM 0 H GLN A 35 11.807 10.566 3.829 1.00 0.00 H new ATOM 0 HA GLN A 35 14.351 9.479 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.556 11.931 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.138 11.940 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.427 11.536 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.907 11.210 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.517 13.587 7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.880 15.010 6.157 1.00 0.00 H new ATOM 508 N ASP A 36 12.398 9.975 7.056 1.00 0.00 N ATOM 509 CA ASP A 36 12.142 9.531 8.422 1.00 0.00 C ATOM 510 C ASP A 36 10.860 8.707 8.494 1.00 0.00 C ATOM 511 O ASP A 36 10.874 7.554 8.927 1.00 0.00 O ATOM 512 CB ASP A 36 12.043 10.733 9.362 1.00 0.00 C ATOM 513 CG ASP A 36 13.396 11.159 9.899 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.376 11.132 9.126 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.474 11.519 11.093 1.00 0.00 O ATOM 0 H ASP A 36 11.791 10.730 6.737 1.00 0.00 H new ATOM 0 HA ASP A 36 12.975 8.902 8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.586 11.569 8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.386 10.486 10.196 1.00 0.00 H new ATOM 520 N PHE A 37 9.752 9.307 8.070 1.00 0.00 N ATOM 521 CA PHE A 37 8.461 8.629 8.089 1.00 0.00 C ATOM 522 C PHE A 37 8.620 7.146 7.770 1.00 0.00 C ATOM 523 O PHE A 37 8.361 6.287 8.614 1.00 0.00 O ATOM 524 CB PHE A 37 7.506 9.279 7.085 1.00 0.00 C ATOM 525 CG PHE A 37 6.698 10.402 7.666 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.322 11.483 8.268 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.313 10.378 7.611 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.581 12.520 8.805 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.567 11.412 8.145 1.00 0.00 C ATOM 530 CZ PHE A 37 5.201 12.483 8.744 1.00 0.00 C ATOM 0 H PHE A 37 9.722 10.261 7.709 1.00 0.00 H new ATOM 0 HA PHE A 37 8.044 8.723 9.092 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.082 9.656 6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.829 8.519 6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.400 11.516 8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.811 9.542 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.080 13.357 9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.489 11.382 8.094 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.619 13.290 9.164 1.00 0.00 H new ATOM 540 N LEU A 38 9.048 6.852 6.547 1.00 0.00 N ATOM 541 CA LEU A 38 9.241 5.472 6.115 1.00 0.00 C ATOM 542 C LEU A 38 10.564 5.314 5.373 1.00 0.00 C ATOM 543 O LEU A 38 10.653 5.515 4.161 1.00 0.00 O ATOM 544 CB LEU A 38 8.084 5.030 5.218 1.00 0.00 C ATOM 545 CG LEU A 38 6.684 5.149 5.820 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.651 5.385 4.729 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.341 3.900 6.620 1.00 0.00 C ATOM 0 H LEU A 38 9.268 7.551 5.837 1.00 0.00 H new ATOM 0 HA LEU A 38 9.265 4.840 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.115 5.620 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.248 3.991 4.933 1.00 0.00 H new ATOM 0 HG LEU A 38 6.671 6.005 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.661 5.467 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.887 6.307 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.664 4.550 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.341 4.001 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.372 3.029 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.064 3.774 7.426 1.00 0.00 H new ATOM 559 N PRO A 39 11.619 4.945 6.115 1.00 0.00 N ATOM 560 CA PRO A 39 12.956 4.749 5.549 1.00 0.00 C ATOM 561 C PRO A 39 13.032 3.518 4.651 1.00 0.00 C ATOM 562 O PRO A 39 13.869 3.444 3.752 1.00 0.00 O ATOM 563 CB PRO A 39 13.842 4.566 6.783 1.00 0.00 C ATOM 564 CG PRO A 39 12.922 4.053 7.836 1.00 0.00 C ATOM 565 CD PRO A 39 11.587 4.689 7.565 1.00 0.00 C ATOM 0 HA PRO A 39 13.254 5.583 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.652 3.863 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.302 5.507 7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.852 2.966 7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.284 4.313 8.831 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.764 4.028 7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.458 5.610 8.133 1.00 0.00 H new ATOM 573 N TRP A 40 12.151 2.555 4.902 1.00 0.00 N ATOM 574 CA TRP A 40 12.118 1.327 4.116 1.00 0.00 C ATOM 575 C TRP A 40 11.342 1.531 2.819 1.00 0.00 C ATOM 576 O TRP A 40 11.740 1.042 1.762 1.00 0.00 O ATOM 577 CB TRP A 40 11.489 0.195 4.928 1.00 0.00 C ATOM 578 CG TRP A 40 10.166 0.559 5.530 1.00 0.00 C ATOM 579 CD1 TRP A 40 8.942 0.471 4.933 1.00 0.00 C ATOM 580 CD2 TRP A 40 9.936 1.072 6.847 1.00 0.00 C ATOM 581 NE1 TRP A 40 7.964 0.898 5.799 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.548 1.271 6.981 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.767 1.378 7.928 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.975 1.764 8.150 1.00 0.00 C ATOM 585 CZ3 TRP A 40 10.198 1.869 9.088 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.813 2.057 9.192 1.00 0.00 C ATOM 0 H TRP A 40 11.451 2.601 5.643 1.00 0.00 H new ATOM 0 HA TRP A 40 13.144 1.058 3.865 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.360 -0.675 4.285 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.175 -0.096 5.724 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.767 0.118 3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.965 0.932 5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.835 1.233 7.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.908 1.910 8.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.831 2.112 9.928 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.399 2.441 10.113 1.00 0.00 H new ATOM 597 N LYS A 41 10.233 2.258 2.906 1.00 0.00 N ATOM 598 CA LYS A 41 9.402 2.529 1.740 1.00 0.00 C ATOM 599 C LYS A 41 10.184 3.294 0.679 1.00 0.00 C ATOM 600 O LYS A 41 10.795 4.324 0.967 1.00 0.00 O ATOM 601 CB LYS A 41 8.160 3.325 2.146 1.00 0.00 C ATOM 602 CG LYS A 41 7.112 2.494 2.866 1.00 0.00 C ATOM 603 CD LYS A 41 6.316 1.639 1.893 1.00 0.00 C ATOM 604 CE LYS A 41 5.329 0.739 2.622 1.00 0.00 C ATOM 605 NZ LYS A 41 4.167 1.504 3.152 1.00 0.00 N ATOM 0 H LYS A 41 9.889 2.670 3.773 1.00 0.00 H new ATOM 0 HA LYS A 41 9.092 1.573 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.463 4.150 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.713 3.764 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.597 1.853 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.436 3.152 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.778 2.283 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.998 1.029 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.974 -0.036 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.837 0.234 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.376 0.853 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.437 1.975 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.875 2.219 2.455 1.00 0.00 H new ATOM 619 N SER A 42 10.162 2.786 -0.549 1.00 0.00 N ATOM 620 CA SER A 42 10.872 3.422 -1.652 1.00 0.00 C ATOM 621 C SER A 42 10.382 4.851 -1.863 1.00 0.00 C ATOM 622 O SER A 42 9.564 5.360 -1.093 1.00 0.00 O ATOM 623 CB SER A 42 10.689 2.614 -2.938 1.00 0.00 C ATOM 624 OG SER A 42 9.550 3.052 -3.659 1.00 0.00 O ATOM 0 H SER A 42 9.660 1.936 -0.805 1.00 0.00 H new ATOM 0 HA SER A 42 11.932 3.454 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.578 2.712 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.585 1.557 -2.695 1.00 0.00 H new ATOM 0 HG SER A 42 9.545 2.636 -4.546 1.00 0.00 H new ATOM 630 N LEU A 43 10.885 5.495 -2.910 1.00 0.00 N ATOM 631 CA LEU A 43 10.499 6.866 -3.224 1.00 0.00 C ATOM 632 C LEU A 43 9.184 6.898 -3.995 1.00 0.00 C ATOM 633 O LEU A 43 8.233 7.573 -3.596 1.00 0.00 O ATOM 634 CB LEU A 43 11.598 7.553 -4.038 1.00 0.00 C ATOM 635 CG LEU A 43 11.498 9.075 -4.151 1.00 0.00 C ATOM 636 CD1 LEU A 43 10.210 9.474 -4.854 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.578 9.718 -2.775 1.00 0.00 C ATOM 0 H LEU A 43 11.562 5.089 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 43 10.362 7.403 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.561 7.304 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.594 7.133 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 43 12.338 9.432 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.156 10.560 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.193 9.043 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.356 9.105 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.505 10.801 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.758 9.355 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.528 9.460 -2.307 1.00 0.00 H new ATOM 649 N THR A 44 9.133 6.163 -5.102 1.00 0.00 N ATOM 650 CA THR A 44 7.934 6.107 -5.928 1.00 0.00 C ATOM 651 C THR A 44 6.801 5.388 -5.205 1.00 0.00 C ATOM 652 O THR A 44 5.673 5.879 -5.157 1.00 0.00 O ATOM 653 CB THR A 44 8.207 5.394 -7.266 1.00 0.00 C ATOM 654 OG1 THR A 44 9.518 5.724 -7.739 1.00 0.00 O ATOM 655 CG2 THR A 44 7.173 5.787 -8.310 1.00 0.00 C ATOM 0 H THR A 44 9.909 5.598 -5.447 1.00 0.00 H new ATOM 0 HA THR A 44 7.639 7.137 -6.127 1.00 0.00 H new ATOM 0 HB THR A 44 8.141 4.319 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.684 5.265 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.387 5.271 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.179 5.508 -7.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.211 6.864 -8.473 1.00 0.00 H new ATOM 663 N SER A 45 7.109 4.224 -4.641 1.00 0.00 N ATOM 664 CA SER A 45 6.114 3.437 -3.922 1.00 0.00 C ATOM 665 C SER A 45 5.169 4.340 -3.137 1.00 0.00 C ATOM 666 O SER A 45 3.954 4.302 -3.329 1.00 0.00 O ATOM 667 CB SER A 45 6.801 2.452 -2.975 1.00 0.00 C ATOM 668 OG SER A 45 5.883 1.487 -2.489 1.00 0.00 O ATOM 0 H SER A 45 8.039 3.806 -4.668 1.00 0.00 H new ATOM 0 HA SER A 45 5.530 2.880 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.618 1.952 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.241 2.994 -2.138 1.00 0.00 H new ATOM 0 HG SER A 45 6.347 0.868 -1.887 1.00 0.00 H new ATOM 674 N ILE A 46 5.737 5.154 -2.253 1.00 0.00 N ATOM 675 CA ILE A 46 4.947 6.068 -1.439 1.00 0.00 C ATOM 676 C ILE A 46 4.007 6.902 -2.303 1.00 0.00 C ATOM 677 O ILE A 46 2.870 7.172 -1.918 1.00 0.00 O ATOM 678 CB ILE A 46 5.846 7.014 -0.619 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.647 6.221 0.415 1.00 0.00 C ATOM 680 CG2 ILE A 46 5.007 8.086 0.060 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.982 6.848 0.756 1.00 0.00 C ATOM 0 H ILE A 46 6.742 5.199 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 46 4.361 5.454 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 46 6.546 7.504 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.056 6.126 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.814 5.212 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.656 8.746 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.477 8.666 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.286 7.615 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.495 6.232 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.592 6.918 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.822 7.846 1.164 1.00 0.00 H new ATOM 693 N ILE A 47 4.490 7.304 -3.474 1.00 0.00 N ATOM 694 CA ILE A 47 3.691 8.104 -4.395 1.00 0.00 C ATOM 695 C ILE A 47 2.475 7.327 -4.885 1.00 0.00 C ATOM 696 O ILE A 47 1.338 7.769 -4.722 1.00 0.00 O ATOM 697 CB ILE A 47 4.521 8.558 -5.610 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.740 9.362 -5.152 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.662 9.380 -6.560 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.758 9.592 -6.247 1.00 0.00 C ATOM 0 H ILE A 47 5.430 7.089 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 47 3.358 8.983 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 47 4.873 7.674 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.406 10.326 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.220 8.839 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.262 9.694 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.824 8.776 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.284 10.260 -6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.594 10.168 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.120 8.632 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.294 10.142 -7.066 1.00 0.00 H new ATOM 712 N GLU A 48 2.722 6.167 -5.485 1.00 0.00 N ATOM 713 CA GLU A 48 1.646 5.328 -5.998 1.00 0.00 C ATOM 714 C GLU A 48 0.427 5.387 -5.083 1.00 0.00 C ATOM 715 O GLU A 48 -0.687 5.661 -5.531 1.00 0.00 O ATOM 716 CB GLU A 48 2.121 3.881 -6.139 1.00 0.00 C ATOM 717 CG GLU A 48 2.728 3.568 -7.498 1.00 0.00 C ATOM 718 CD GLU A 48 3.121 2.111 -7.639 1.00 0.00 C ATOM 719 OE1 GLU A 48 4.012 1.661 -6.888 1.00 0.00 O ATOM 720 OE2 GLU A 48 2.538 1.420 -8.501 1.00 0.00 O ATOM 0 H GLU A 48 3.658 5.787 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 48 1.361 5.707 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.859 3.673 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.278 3.212 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.013 3.825 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.607 4.194 -7.652 1.00 0.00 H new ATOM 727 N TYR A 49 0.645 5.128 -3.799 1.00 0.00 N ATOM 728 CA TYR A 49 -0.436 5.150 -2.820 1.00 0.00 C ATOM 729 C TYR A 49 -1.311 6.387 -3.000 1.00 0.00 C ATOM 730 O TYR A 49 -2.539 6.303 -2.967 1.00 0.00 O ATOM 731 CB TYR A 49 0.132 5.117 -1.400 1.00 0.00 C ATOM 732 CG TYR A 49 -0.918 5.273 -0.324 1.00 0.00 C ATOM 733 CD1 TYR A 49 -1.572 6.483 -0.134 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.255 4.210 0.505 1.00 0.00 C ATOM 735 CE1 TYR A 49 -2.532 6.631 0.848 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.214 4.347 1.489 1.00 0.00 C ATOM 737 CZ TYR A 49 -2.849 5.560 1.657 1.00 0.00 C ATOM 738 OH TYR A 49 -3.805 5.702 2.638 1.00 0.00 O ATOM 0 H TYR A 49 1.560 4.900 -3.411 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.052 4.265 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.657 4.174 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.870 5.913 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.326 7.324 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.758 3.260 0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.031 7.579 0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.465 3.510 2.123 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.611 6.106 2.253 1.00 0.00 H new ATOM 748 N TYR A 50 -0.669 7.534 -3.193 1.00 0.00 N ATOM 749 CA TYR A 50 -1.387 8.789 -3.377 1.00 0.00 C ATOM 750 C TYR A 50 -2.510 8.630 -4.398 1.00 0.00 C ATOM 751 O TYR A 50 -3.626 9.107 -4.189 1.00 0.00 O ATOM 752 CB TYR A 50 -0.424 9.889 -3.830 1.00 0.00 C ATOM 753 CG TYR A 50 -1.105 11.209 -4.117 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.465 12.066 -3.086 1.00 0.00 C ATOM 755 CD2 TYR A 50 -1.389 11.596 -5.421 1.00 0.00 C ATOM 756 CE1 TYR A 50 -2.089 13.272 -3.343 1.00 0.00 C ATOM 757 CE2 TYR A 50 -2.011 12.800 -5.689 1.00 0.00 C ATOM 758 CZ TYR A 50 -2.359 13.635 -4.647 1.00 0.00 C ATOM 759 OH TYR A 50 -2.978 14.835 -4.910 1.00 0.00 O ATOM 0 H TYR A 50 0.347 7.620 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.827 9.070 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.331 10.039 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.098 9.556 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.254 11.785 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.119 10.944 -6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.364 13.926 -2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.224 13.086 -6.708 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.094 14.938 -5.878 1.00 0.00 H new ATOM 769 N TYR A 51 -2.207 7.955 -5.501 1.00 0.00 N ATOM 770 CA TYR A 51 -3.189 7.733 -6.555 1.00 0.00 C ATOM 771 C TYR A 51 -4.147 6.606 -6.179 1.00 0.00 C ATOM 772 O TYR A 51 -5.358 6.719 -6.361 1.00 0.00 O ATOM 773 CB TYR A 51 -2.487 7.402 -7.874 1.00 0.00 C ATOM 774 CG TYR A 51 -1.311 8.303 -8.175 1.00 0.00 C ATOM 775 CD1 TYR A 51 -1.477 9.676 -8.302 1.00 0.00 C ATOM 776 CD2 TYR A 51 -0.033 7.780 -8.333 1.00 0.00 C ATOM 777 CE1 TYR A 51 -0.405 10.503 -8.580 1.00 0.00 C ATOM 778 CE2 TYR A 51 1.045 8.599 -8.608 1.00 0.00 C ATOM 779 CZ TYR A 51 0.854 9.960 -8.731 1.00 0.00 C ATOM 780 OH TYR A 51 1.924 10.779 -9.006 1.00 0.00 O ATOM 0 H TYR A 51 -1.289 7.552 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.766 8.650 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.144 6.368 -7.844 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.208 7.475 -8.688 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.461 10.105 -8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.120 6.715 -8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.552 11.568 -8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.032 8.176 -8.726 1.00 0.00 H new ATOM 0 HH TYR A 51 2.738 10.239 -9.081 1.00 0.00 H new ATOM 790 N MET A 52 -3.593 5.518 -5.653 1.00 0.00 N ATOM 791 CA MET A 52 -4.397 4.370 -5.249 1.00 0.00 C ATOM 792 C MET A 52 -5.296 4.725 -4.070 1.00 0.00 C ATOM 793 O MET A 52 -6.259 4.016 -3.777 1.00 0.00 O ATOM 794 CB MET A 52 -3.493 3.192 -4.881 1.00 0.00 C ATOM 795 CG MET A 52 -3.120 3.150 -3.407 1.00 0.00 C ATOM 796 SD MET A 52 -4.339 2.275 -2.408 1.00 0.00 S ATOM 797 CE MET A 52 -4.341 3.275 -0.922 1.00 0.00 C ATOM 0 H MET A 52 -2.591 5.407 -5.497 1.00 0.00 H new ATOM 0 HA MET A 52 -5.028 4.085 -6.091 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.995 2.262 -5.147 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.582 3.244 -5.477 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.150 2.666 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.013 4.169 -3.034 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.948 2.691 -0.090 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.716 4.155 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.360 3.589 -0.696 1.00 0.00 H new ATOM 807 N TRP A 53 -4.976 5.825 -3.397 1.00 0.00 N ATOM 808 CA TRP A 53 -5.756 6.273 -2.250 1.00 0.00 C ATOM 809 C TRP A 53 -6.926 7.146 -2.693 1.00 0.00 C ATOM 810 O TRP A 53 -8.049 6.986 -2.215 1.00 0.00 O ATOM 811 CB TRP A 53 -4.868 7.046 -1.274 1.00 0.00 C ATOM 812 CG TRP A 53 -5.637 7.725 -0.181 1.00 0.00 C ATOM 813 CD1 TRP A 53 -6.256 7.126 0.880 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.870 9.131 -0.043 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.859 8.075 1.669 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.637 9.313 1.126 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.505 10.253 -0.790 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -7.044 10.572 1.560 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.910 11.502 -0.357 1.00 0.00 C ATOM 820 CH2 TRP A 53 -6.672 11.653 0.809 1.00 0.00 C ATOM 0 H TRP A 53 -4.182 6.423 -3.626 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.155 5.392 -1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.147 6.360 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.298 7.794 -1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.269 6.063 1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.387 7.888 2.522 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.917 10.147 -1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.633 10.691 2.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.634 12.377 -0.928 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.972 12.643 1.121 1.00 0.00 H new ATOM 831 N LYS A 54 -6.656 8.069 -3.609 1.00 0.00 N ATOM 832 CA LYS A 54 -7.685 8.967 -4.119 1.00 0.00 C ATOM 833 C LYS A 54 -8.642 8.226 -5.046 1.00 0.00 C ATOM 834 O LYS A 54 -9.843 8.500 -5.066 1.00 0.00 O ATOM 835 CB LYS A 54 -7.044 10.141 -4.862 1.00 0.00 C ATOM 836 CG LYS A 54 -6.468 9.763 -6.216 1.00 0.00 C ATOM 837 CD LYS A 54 -6.081 10.992 -7.020 1.00 0.00 C ATOM 838 CE LYS A 54 -5.848 10.650 -8.484 1.00 0.00 C ATOM 839 NZ LYS A 54 -7.117 10.305 -9.181 1.00 0.00 N ATOM 0 H LYS A 54 -5.731 8.215 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.252 9.349 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.790 10.924 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.251 10.562 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.593 9.128 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.200 9.178 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.868 11.742 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.177 11.433 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.377 11.496 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.155 9.812 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.974 10.360 -10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.404 9.339 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.861 10.974 -8.899 1.00 0.00 H new ATOM 853 N THR A 55 -8.105 7.283 -5.814 1.00 0.00 N ATOM 854 CA THR A 55 -8.911 6.503 -6.744 1.00 0.00 C ATOM 855 C THR A 55 -9.894 5.607 -6.000 1.00 0.00 C ATOM 856 O THR A 55 -11.045 5.453 -6.411 1.00 0.00 O ATOM 857 CB THR A 55 -8.029 5.631 -7.658 1.00 0.00 C ATOM 858 OG1 THR A 55 -7.197 4.776 -6.865 1.00 0.00 O ATOM 859 CG2 THR A 55 -7.162 6.496 -8.559 1.00 0.00 C ATOM 0 H THR A 55 -7.114 7.041 -5.810 1.00 0.00 H new ATOM 0 HA THR A 55 -9.464 7.215 -7.357 1.00 0.00 H new ATOM 0 HB THR A 55 -8.682 5.023 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.470 5.301 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.548 5.858 -9.195 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.798 7.125 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.517 7.126 -7.947 1.00 0.00 H new ATOM 867 N THR A 56 -9.435 5.015 -4.902 1.00 0.00 N ATOM 868 CA THR A 56 -10.274 4.133 -4.100 1.00 0.00 C ATOM 869 C THR A 56 -11.205 4.933 -3.196 1.00 0.00 C ATOM 870 O THR A 56 -10.878 6.044 -2.780 1.00 0.00 O ATOM 871 CB THR A 56 -9.425 3.184 -3.234 1.00 0.00 C ATOM 872 OG1 THR A 56 -10.244 2.132 -2.713 1.00 0.00 O ATOM 873 CG2 THR A 56 -8.770 3.938 -2.087 1.00 0.00 C ATOM 0 H THR A 56 -8.486 5.131 -4.547 1.00 0.00 H new ATOM 0 HA THR A 56 -10.868 3.542 -4.797 1.00 0.00 H new ATOM 0 HB THR A 56 -8.642 2.758 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.696 1.532 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.176 3.247 -1.489 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.124 4.720 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.540 4.389 -1.461 1.00 0.00 H new ATOM 881 N ASP A 57 -12.365 4.360 -2.894 1.00 0.00 N ATOM 882 CA ASP A 57 -13.344 5.019 -2.036 1.00 0.00 C ATOM 883 C ASP A 57 -13.076 4.705 -0.568 1.00 0.00 C ATOM 884 O ASP A 57 -13.998 4.403 0.191 1.00 0.00 O ATOM 885 CB ASP A 57 -14.760 4.584 -2.415 1.00 0.00 C ATOM 886 CG ASP A 57 -15.265 5.280 -3.664 1.00 0.00 C ATOM 887 OD1 ASP A 57 -14.696 5.039 -4.749 1.00 0.00 O ATOM 888 OD2 ASP A 57 -16.230 6.064 -3.555 1.00 0.00 O ATOM 0 H ASP A 57 -12.651 3.440 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.253 6.096 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.776 3.505 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.436 4.795 -1.586 1.00 0.00 H new ATOM 893 N ARG A 58 -11.810 4.778 -0.173 1.00 0.00 N ATOM 894 CA ARG A 58 -11.422 4.500 1.205 1.00 0.00 C ATOM 895 C ARG A 58 -12.502 4.963 2.178 1.00 0.00 C ATOM 896 O ARG A 58 -13.168 5.972 1.948 1.00 0.00 O ATOM 897 CB ARG A 58 -10.096 5.189 1.533 1.00 0.00 C ATOM 898 CG ARG A 58 -10.223 6.691 1.734 1.00 0.00 C ATOM 899 CD ARG A 58 -10.147 7.438 0.412 1.00 0.00 C ATOM 900 NE ARG A 58 -10.655 8.803 0.524 1.00 0.00 N ATOM 901 CZ ARG A 58 -10.301 9.789 -0.292 1.00 0.00 C ATOM 902 NH1 ARG A 58 -9.442 9.562 -1.277 1.00 0.00 N ATOM 903 NH2 ARG A 58 -10.806 11.004 -0.125 1.00 0.00 N ATOM 0 H ARG A 58 -11.035 5.027 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.300 3.422 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.679 4.744 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.388 4.997 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.170 6.915 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.430 7.039 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.113 7.463 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.720 6.899 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.318 9.010 1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.052 8.629 -1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.171 10.321 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.467 11.182 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.533 11.760 -0.753 1.00 0.00 H new ATOM 917 N TYR A 59 -12.670 4.218 3.265 1.00 0.00 N ATOM 918 CA TYR A 59 -13.671 4.548 4.272 1.00 0.00 C ATOM 919 C TYR A 59 -15.071 4.557 3.665 1.00 0.00 C ATOM 920 O TYR A 59 -15.805 5.539 3.783 1.00 0.00 O ATOM 921 CB TYR A 59 -13.365 5.911 4.896 1.00 0.00 C ATOM 922 CG TYR A 59 -14.435 6.395 5.849 1.00 0.00 C ATOM 923 CD1 TYR A 59 -14.609 5.795 7.090 1.00 0.00 C ATOM 924 CD2 TYR A 59 -15.273 7.450 5.507 1.00 0.00 C ATOM 925 CE1 TYR A 59 -15.586 6.234 7.964 1.00 0.00 C ATOM 926 CE2 TYR A 59 -16.251 7.895 6.375 1.00 0.00 C ATOM 927 CZ TYR A 59 -16.404 7.283 7.602 1.00 0.00 C ATOM 928 OH TYR A 59 -17.378 7.723 8.469 1.00 0.00 O ATOM 0 H TYR A 59 -12.125 3.381 3.471 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.636 3.784 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.416 5.853 5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.240 6.645 4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.971 4.972 7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -15.157 7.930 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.708 5.758 8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -16.892 8.717 6.095 1.00 0.00 H new ATOM 0 HH TYR A 59 -17.865 8.469 8.062 1.00 0.00 H new ATOM 938 N VAL A 60 -15.435 3.455 3.018 1.00 0.00 N ATOM 939 CA VAL A 60 -16.747 3.332 2.394 1.00 0.00 C ATOM 940 C VAL A 60 -17.282 1.910 2.513 1.00 0.00 C ATOM 941 O VAL A 60 -16.521 0.945 2.455 1.00 0.00 O ATOM 942 CB VAL A 60 -16.700 3.729 0.907 1.00 0.00 C ATOM 943 CG1 VAL A 60 -16.049 2.630 0.081 1.00 0.00 C ATOM 944 CG2 VAL A 60 -18.099 4.035 0.393 1.00 0.00 C ATOM 0 H VAL A 60 -14.839 2.634 2.912 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.414 4.012 2.923 1.00 0.00 H new ATOM 0 HB VAL A 60 -16.096 4.631 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.025 2.928 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -15.031 2.463 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -16.624 1.709 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.047 4.314 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -18.729 3.152 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.525 4.859 0.966 1.00 0.00 H new ATOM 954 N GLN A 61 -18.595 1.789 2.679 1.00 0.00 N ATOM 955 CA GLN A 61 -19.231 0.484 2.807 1.00 0.00 C ATOM 956 C GLN A 61 -18.520 -0.555 1.946 1.00 0.00 C ATOM 957 O GLN A 61 -18.441 -0.415 0.726 1.00 0.00 O ATOM 958 CB GLN A 61 -20.705 0.570 2.408 1.00 0.00 C ATOM 959 CG GLN A 61 -21.520 1.501 3.291 1.00 0.00 C ATOM 960 CD GLN A 61 -22.801 1.965 2.625 1.00 0.00 C ATOM 961 OE1 GLN A 61 -23.657 1.155 2.268 1.00 0.00 O ATOM 962 NE2 GLN A 61 -22.939 3.274 2.453 1.00 0.00 N ATOM 0 H GLN A 61 -19.239 2.579 2.728 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.161 0.175 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -20.774 0.910 1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -21.142 -0.428 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.764 0.991 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.915 2.370 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.204 3.910 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.780 3.644 2.010 1.00 0.00 H new ATOM 971 N GLN A 62 -18.003 -1.596 2.590 1.00 0.00 N ATOM 972 CA GLN A 62 -17.297 -2.659 1.883 1.00 0.00 C ATOM 973 C GLN A 62 -16.915 -3.787 2.835 1.00 0.00 C ATOM 974 O GLN A 62 -16.842 -3.592 4.048 1.00 0.00 O ATOM 975 CB GLN A 62 -16.045 -2.102 1.204 1.00 0.00 C ATOM 976 CG GLN A 62 -15.655 -2.850 -0.061 1.00 0.00 C ATOM 977 CD GLN A 62 -14.165 -2.797 -0.335 1.00 0.00 C ATOM 978 OE1 GLN A 62 -13.515 -1.776 -0.105 1.00 0.00 O ATOM 979 NE2 GLN A 62 -13.613 -3.900 -0.829 1.00 0.00 N ATOM 0 H GLN A 62 -18.059 -1.727 3.600 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.966 -3.063 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -16.211 -1.053 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.214 -2.138 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.968 -3.891 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -16.192 -2.426 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.188 -4.724 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.614 -3.923 -1.033 1.00 0.00 H new ATOM 988 N LYS A 63 -16.674 -4.968 2.277 1.00 0.00 N ATOM 989 CA LYS A 63 -16.298 -6.129 3.075 1.00 0.00 C ATOM 990 C LYS A 63 -15.105 -5.811 3.971 1.00 0.00 C ATOM 991 O LYS A 63 -14.169 -5.130 3.554 1.00 0.00 O ATOM 992 CB LYS A 63 -15.965 -7.314 2.166 1.00 0.00 C ATOM 993 CG LYS A 63 -16.236 -8.666 2.803 1.00 0.00 C ATOM 994 CD LYS A 63 -17.653 -9.139 2.525 1.00 0.00 C ATOM 995 CE LYS A 63 -18.665 -8.414 3.400 1.00 0.00 C ATOM 996 NZ LYS A 63 -19.949 -9.160 3.497 1.00 0.00 N ATOM 0 H LYS A 63 -16.732 -5.147 1.274 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.146 -6.392 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.547 -7.231 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.914 -7.260 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.525 -9.399 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.078 -8.600 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.894 -8.973 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.721 -10.212 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.249 -8.276 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.852 -7.421 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.612 -8.633 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.359 -9.270 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.775 -10.099 3.910 1.00 0.00 H new ATOM 1010 N ARG A 64 -15.146 -6.309 5.203 1.00 0.00 N ATOM 1011 CA ARG A 64 -14.067 -6.078 6.157 1.00 0.00 C ATOM 1012 C ARG A 64 -13.910 -4.588 6.448 1.00 0.00 C ATOM 1013 O ARG A 64 -12.805 -4.048 6.393 1.00 0.00 O ATOM 1014 CB ARG A 64 -12.753 -6.646 5.620 1.00 0.00 C ATOM 1015 CG ARG A 64 -12.734 -8.162 5.533 1.00 0.00 C ATOM 1016 CD ARG A 64 -12.454 -8.796 6.887 1.00 0.00 C ATOM 1017 NE ARG A 64 -11.953 -10.162 6.760 1.00 0.00 N ATOM 1018 CZ ARG A 64 -12.046 -11.071 7.724 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -12.619 -10.760 8.879 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -11.568 -12.293 7.533 1.00 0.00 N ATOM 0 H ARG A 64 -15.914 -6.875 5.564 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.321 -6.587 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.566 -6.232 4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.936 -6.317 6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.693 -8.518 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.973 -8.477 4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.725 -8.191 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.368 -8.799 7.481 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.507 -10.433 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.989 -9.821 9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.689 -11.459 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.128 -12.536 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.640 -12.990 8.274 1.00 0.00 H new ATOM 1034 N SER A 65 -15.023 -3.931 6.757 1.00 0.00 N ATOM 1035 CA SER A 65 -15.009 -2.503 7.053 1.00 0.00 C ATOM 1036 C SER A 65 -15.504 -2.237 8.472 1.00 0.00 C ATOM 1037 O SER A 65 -16.683 -1.955 8.687 1.00 0.00 O ATOM 1038 CB SER A 65 -15.875 -1.743 6.047 1.00 0.00 C ATOM 1039 OG SER A 65 -15.298 -1.772 4.753 1.00 0.00 O ATOM 0 H SER A 65 -15.945 -4.364 6.809 1.00 0.00 H new ATOM 0 HA SER A 65 -13.980 -2.151 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.871 -2.184 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.994 -0.710 6.372 1.00 0.00 H new ATOM 0 HG SER A 65 -15.361 -2.679 4.387 1.00 0.00 H new ATOM 1045 N GLY A 66 -14.595 -2.328 9.437 1.00 0.00 N ATOM 1046 CA GLY A 66 -14.957 -2.096 10.823 1.00 0.00 C ATOM 1047 C GLY A 66 -15.673 -3.280 11.441 1.00 0.00 C ATOM 1048 O GLY A 66 -15.965 -4.273 10.776 1.00 0.00 O ATOM 0 H GLY A 66 -13.613 -2.558 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -14.057 -1.878 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.596 -1.215 10.886 1.00 0.00 H new ATOM 1052 N PRO A 67 -15.965 -3.183 12.747 1.00 0.00 N ATOM 1053 CA PRO A 67 -16.653 -4.246 13.484 1.00 0.00 C ATOM 1054 C PRO A 67 -18.114 -4.389 13.068 1.00 0.00 C ATOM 1055 O PRO A 67 -18.774 -3.404 12.738 1.00 0.00 O ATOM 1056 CB PRO A 67 -16.556 -3.787 14.942 1.00 0.00 C ATOM 1057 CG PRO A 67 -16.417 -2.306 14.864 1.00 0.00 C ATOM 1058 CD PRO A 67 -15.647 -2.028 13.603 1.00 0.00 C ATOM 0 HA PRO A 67 -16.207 -5.223 13.299 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.444 -4.072 15.507 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.700 -4.239 15.443 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.394 -1.823 14.839 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.891 -1.917 15.736 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.956 -1.090 13.142 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.577 -1.952 13.794 1.00 0.00 H new ATOM 1066 N SER A 68 -18.612 -5.621 13.087 1.00 0.00 N ATOM 1067 CA SER A 68 -19.993 -5.893 12.707 1.00 0.00 C ATOM 1068 C SER A 68 -20.690 -6.743 13.766 1.00 0.00 C ATOM 1069 O SER A 68 -20.128 -7.720 14.262 1.00 0.00 O ATOM 1070 CB SER A 68 -20.041 -6.604 11.353 1.00 0.00 C ATOM 1071 OG SER A 68 -21.292 -6.405 10.718 1.00 0.00 O ATOM 0 H SER A 68 -18.080 -6.447 13.362 1.00 0.00 H new ATOM 0 HA SER A 68 -20.517 -4.940 12.628 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.241 -6.230 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.866 -7.671 11.492 1.00 0.00 H new ATOM 0 HG SER A 68 -21.298 -6.867 9.854 1.00 0.00 H new ATOM 1077 N SER A 69 -21.917 -6.363 14.107 1.00 0.00 N ATOM 1078 CA SER A 69 -22.690 -7.087 15.109 1.00 0.00 C ATOM 1079 C SER A 69 -24.083 -7.423 14.583 1.00 0.00 C ATOM 1080 O SER A 69 -24.586 -6.773 13.668 1.00 0.00 O ATOM 1081 CB SER A 69 -22.803 -6.260 16.391 1.00 0.00 C ATOM 1082 OG SER A 69 -23.215 -7.064 17.482 1.00 0.00 O ATOM 0 H SER A 69 -22.397 -5.558 13.704 1.00 0.00 H new ATOM 0 HA SER A 69 -22.170 -8.019 15.330 1.00 0.00 H new ATOM 0 HB2 SER A 69 -21.841 -5.800 16.617 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.516 -5.449 16.243 1.00 0.00 H new ATOM 0 HG SER A 69 -23.278 -6.512 18.290 1.00 0.00 H new ATOM 1088 N GLY A 70 -24.699 -8.444 15.168 1.00 0.00 N ATOM 1089 CA GLY A 70 -26.027 -8.851 14.746 1.00 0.00 C ATOM 1090 C GLY A 70 -26.169 -10.356 14.648 1.00 0.00 C ATOM 1091 O GLY A 70 -26.072 -11.063 15.652 1.00 0.00 O ATOM 0 H GLY A 70 -24.303 -8.998 15.927 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -26.763 -8.465 15.451 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.250 -8.404 13.777 1.00 0.00 H new TER 1095 GLY A 70