USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 849 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 30 MET CE :methyl 168:sc= -0.86 (180deg=-1.09) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot -156:sc= 0.957 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 170:sc= 1.11 (180deg=0) USER MOD Set 3.1: A 28 SER OG : rot -89:sc= 0.212 USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 23:sc= 0.36 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= 1.1 K(o=1.1,f=-0.057) USER MOD Single : A 20 MET CE :methyl -170:sc= -0.153 (180deg=-0.268) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 SER OG : rot 82:sc= 0.0426 USER MOD Single : A 24 MET CE :methyl 164:sc= -3.14! (180deg=-4.33!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.5) USER MOD Single : A 41 MET CE :methyl -150:sc= 0 (180deg=-0.504) USER MOD Single : A 42 SER OG : rot -3:sc= 1.41 USER MOD Single : A 43 THR OG1 : rot 74:sc= 1.07 USER MOD Single : A 46 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.058) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -160:sc= -0.668 (180deg=-1.86!) USER MOD Single : A 50 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.2) USER MOD Single : A 51 SER OG : rot 78:sc= 0.0941 USER MOD Single : A 53 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3.5!) USER MOD Single : A 54 SER OG : rot 73:sc= 0.234 USER MOD Single : A 58 GLN : amide:sc= -0.708 K(o=-0.71,f=-2.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 64 ASN : amide:sc=-0.00882 K(o=-0.0088,f=-0.66) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.24) USER MOD Single : A 71 MET CE :methyl -169:sc= -0.921 (180deg=-1.14) USER MOD Single : A 75 SER OG : rot 9:sc= -0.158 USER MOD Single : A 76 SER OG : rot -101:sc= 0.764 USER MOD Single : A 77 MET CE :methyl -167:sc= -1.13 (180deg=-1.41) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.989) USER MOD Single : A 94 THR OG1 : rot -77:sc= 0.8 USER MOD Single : A 95 SER OG : rot 86:sc= 0.869 USER MOD Single : A 96 SER OG : rot 180:sc= -0.864 USER MOD Single : A 101 MET CE :methyl -174:sc= -0.208 (180deg=-0.347) USER MOD Single : A 102 SER OG : rot -91:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.077) USER MOD Single : A 108 THR OG1 : rot -77:sc= 0.98 USER MOD Single : A 109 THR OG1 : rot -43:sc= 0.804 USER MOD Single : A 113 ASN : amide:sc= -0.043 K(o=-0.043,f=-5.7!) USER MOD Single : A 114 GLN : amide:sc= 0.172 X(o=0.17,f=-0.086) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 121 THR OG1 : rot -78:sc= 1.25 USER MOD Single : A 122 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.18) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 158:sc= -0.234 (180deg=-0.863) USER MOD Single : A 129 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 15.254 -0.913 -6.518 1.00 0.00 N ATOM 82 CA THR A 8 15.469 -0.371 -7.854 1.00 0.00 C ATOM 83 C THR A 8 16.853 -0.822 -8.325 1.00 0.00 C ATOM 84 O THR A 8 17.785 -0.844 -7.530 1.00 0.00 O ATOM 85 CB THR A 8 15.392 1.176 -7.854 1.00 0.00 C ATOM 86 OG1 THR A 8 14.325 1.610 -7.005 1.00 0.00 O ATOM 87 CG2 THR A 8 15.166 1.736 -9.253 1.00 0.00 C ATOM 0 HA THR A 8 14.691 -0.737 -8.524 1.00 0.00 H new ATOM 0 HB THR A 8 16.348 1.548 -7.486 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.123 0.910 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.118 2.824 -9.206 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.989 1.436 -9.902 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.229 1.349 -9.653 1.00 0.00 H new ATOM 95 N PRO A 9 17.014 -1.200 -9.602 1.00 0.00 N ATOM 96 CA PRO A 9 18.286 -1.736 -10.120 1.00 0.00 C ATOM 97 C PRO A 9 19.480 -0.807 -9.883 1.00 0.00 C ATOM 98 O PRO A 9 20.617 -1.260 -9.784 1.00 0.00 O ATOM 99 CB PRO A 9 18.030 -1.894 -11.627 1.00 0.00 C ATOM 100 CG PRO A 9 16.802 -1.095 -11.906 1.00 0.00 C ATOM 101 CD PRO A 9 15.987 -1.143 -10.645 1.00 0.00 C ATOM 0 HA PRO A 9 18.553 -2.663 -9.613 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.876 -1.530 -12.210 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.886 -2.941 -11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.055 -0.068 -12.169 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.247 -1.512 -12.746 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.351 -0.264 -10.540 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.333 -2.015 -10.618 1.00 0.00 H new ATOM 109 N TRP A 10 19.213 0.489 -9.770 1.00 0.00 N ATOM 110 CA TRP A 10 20.281 1.478 -9.654 1.00 0.00 C ATOM 111 C TRP A 10 20.286 2.096 -8.259 1.00 0.00 C ATOM 112 O TRP A 10 20.882 3.145 -8.041 1.00 0.00 O ATOM 113 CB TRP A 10 20.101 2.600 -10.687 1.00 0.00 C ATOM 114 CG TRP A 10 19.566 2.159 -12.022 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.532 2.739 -12.701 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.018 1.066 -12.837 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.301 2.068 -13.875 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.199 1.038 -13.983 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.025 0.103 -12.711 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.358 0.093 -14.992 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.181 -0.836 -13.714 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.350 -0.834 -14.840 1.00 0.00 C ATOM 0 H TRP A 10 18.271 0.879 -9.756 1.00 0.00 H new ATOM 0 HA TRP A 10 21.226 0.966 -9.835 1.00 0.00 H new ATOM 0 HB2 TRP A 10 19.427 3.349 -10.272 1.00 0.00 H new ATOM 0 HB3 TRP A 10 21.063 3.088 -10.842 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.977 3.601 -12.362 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.578 2.298 -14.557 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.670 0.093 -11.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 18.720 0.092 -15.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.956 -1.583 -13.627 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.496 -1.582 -15.606 1.00 0.00 H new ATOM 133 N THR A 11 19.622 1.436 -7.320 1.00 0.00 N ATOM 134 CA THR A 11 19.450 1.985 -5.982 1.00 0.00 C ATOM 135 C THR A 11 20.728 1.838 -5.151 1.00 0.00 C ATOM 136 O THR A 11 21.022 2.666 -4.290 1.00 0.00 O ATOM 137 CB THR A 11 18.263 1.300 -5.262 1.00 0.00 C ATOM 138 OG1 THR A 11 17.812 2.088 -4.161 1.00 0.00 O ATOM 139 CG2 THR A 11 18.638 -0.091 -4.764 1.00 0.00 C ATOM 0 H THR A 11 19.194 0.521 -7.460 1.00 0.00 H new ATOM 0 HA THR A 11 19.234 3.048 -6.085 1.00 0.00 H new ATOM 0 HB THR A 11 17.459 1.205 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.061 1.637 -3.722 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.781 -0.542 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.933 -0.713 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.469 -0.015 -4.062 1.00 0.00 H new ATOM 147 N ASN A 12 21.498 0.794 -5.435 1.00 0.00 N ATOM 148 CA ASN A 12 22.696 0.492 -4.665 1.00 0.00 C ATOM 149 C ASN A 12 23.874 0.230 -5.588 1.00 0.00 C ATOM 150 O ASN A 12 23.725 -0.438 -6.613 1.00 0.00 O ATOM 151 CB ASN A 12 22.474 -0.734 -3.767 1.00 0.00 C ATOM 152 CG ASN A 12 21.641 -0.432 -2.532 1.00 0.00 C ATOM 153 OD1 ASN A 12 21.706 0.660 -1.972 1.00 0.00 O ATOM 154 ND2 ASN A 12 20.857 -1.406 -2.094 1.00 0.00 N ATOM 0 H ASN A 12 21.312 0.141 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 12 22.914 1.358 -4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.982 -1.516 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.442 -1.128 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.280 -1.263 -1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 12 20.830 -2.299 -2.586 1.00 0.00 H new ATOM 161 N PRO A 13 25.058 0.755 -5.233 1.00 0.00 N ATOM 162 CA PRO A 13 26.293 0.522 -5.987 1.00 0.00 C ATOM 163 C PRO A 13 26.561 -0.963 -6.183 1.00 0.00 C ATOM 164 O PRO A 13 26.803 -1.428 -7.297 1.00 0.00 O ATOM 165 CB PRO A 13 27.373 1.141 -5.096 1.00 0.00 C ATOM 166 CG PRO A 13 26.664 2.176 -4.303 1.00 0.00 C ATOM 167 CD PRO A 13 25.281 1.637 -4.072 1.00 0.00 C ATOM 0 HA PRO A 13 26.253 0.949 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.830 0.392 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 13 28.174 1.579 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.174 2.362 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.630 3.124 -4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.216 1.088 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.541 2.436 -4.027 1.00 0.00 H new ATOM 175 N GLY A 14 26.485 -1.705 -5.083 1.00 0.00 N ATOM 176 CA GLY A 14 26.718 -3.133 -5.121 1.00 0.00 C ATOM 177 C GLY A 14 25.667 -3.874 -5.918 1.00 0.00 C ATOM 178 O GLY A 14 25.949 -4.918 -6.500 1.00 0.00 O ATOM 0 H GLY A 14 26.264 -1.336 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.700 -3.326 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.737 -3.521 -4.103 1.00 0.00 H new ATOM 182 N LEU A 15 24.457 -3.336 -5.954 1.00 0.00 N ATOM 183 CA LEU A 15 23.385 -3.959 -6.711 1.00 0.00 C ATOM 184 C LEU A 15 23.639 -3.799 -8.203 1.00 0.00 C ATOM 185 O LEU A 15 23.533 -4.759 -8.955 1.00 0.00 O ATOM 186 CB LEU A 15 22.023 -3.373 -6.337 1.00 0.00 C ATOM 187 CG LEU A 15 20.834 -3.942 -7.124 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.765 -5.455 -6.988 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.537 -3.312 -6.653 1.00 0.00 C ATOM 0 H LEU A 15 24.195 -2.476 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 15 23.369 -5.020 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.851 -3.543 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.055 -2.294 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 15 20.979 -3.701 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.914 -5.833 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.683 -5.897 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.648 -5.721 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.704 -3.726 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.394 -3.523 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.580 -2.234 -6.806 1.00 0.00 H new ATOM 201 N ALA A 16 23.995 -2.588 -8.618 1.00 0.00 N ATOM 202 CA ALA A 16 24.329 -2.328 -10.014 1.00 0.00 C ATOM 203 C ALA A 16 25.553 -3.143 -10.419 1.00 0.00 C ATOM 204 O ALA A 16 25.621 -3.688 -11.522 1.00 0.00 O ATOM 205 CB ALA A 16 24.576 -0.843 -10.230 1.00 0.00 C ATOM 0 H ALA A 16 24.060 -1.772 -8.009 1.00 0.00 H new ATOM 0 HA ALA A 16 23.490 -2.629 -10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.824 -0.664 -11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.678 -0.283 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.403 -0.516 -9.600 1.00 0.00 H new ATOM 211 N GLU A 17 26.506 -3.225 -9.501 1.00 0.00 N ATOM 212 CA GLU A 17 27.704 -4.035 -9.676 1.00 0.00 C ATOM 213 C GLU A 17 27.336 -5.496 -9.955 1.00 0.00 C ATOM 214 O GLU A 17 27.809 -6.098 -10.923 1.00 0.00 O ATOM 215 CB GLU A 17 28.560 -3.925 -8.412 1.00 0.00 C ATOM 216 CG GLU A 17 29.806 -4.790 -8.404 1.00 0.00 C ATOM 217 CD GLU A 17 30.606 -4.608 -7.130 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.293 -5.275 -6.122 1.00 0.00 O ATOM 219 OE2 GLU A 17 31.545 -3.783 -7.128 1.00 0.00 O ATOM 0 H GLU A 17 26.470 -2.730 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 17 28.269 -3.670 -10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.858 -2.884 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.946 -4.191 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.523 -5.837 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 17 30.428 -4.540 -9.263 1.00 0.00 H new ATOM 226 N ASN A 18 26.473 -6.051 -9.113 1.00 0.00 N ATOM 227 CA ASN A 18 26.032 -7.429 -9.259 1.00 0.00 C ATOM 228 C ASN A 18 25.128 -7.598 -10.476 1.00 0.00 C ATOM 229 O ASN A 18 25.168 -8.628 -11.150 1.00 0.00 O ATOM 230 CB ASN A 18 25.293 -7.884 -8.005 1.00 0.00 C ATOM 231 CG ASN A 18 26.218 -8.396 -6.920 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.528 -9.588 -6.868 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.657 -7.510 -6.045 1.00 0.00 N ATOM 0 H ASN A 18 26.063 -5.562 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 18 26.919 -8.046 -9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.709 -7.051 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.587 -8.670 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.277 -7.803 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.376 -6.533 -6.124 1.00 0.00 H new ATOM 240 N PHE A 19 24.312 -6.582 -10.741 1.00 0.00 N ATOM 241 CA PHE A 19 23.393 -6.596 -11.875 1.00 0.00 C ATOM 242 C PHE A 19 24.159 -6.779 -13.176 1.00 0.00 C ATOM 243 O PHE A 19 23.855 -7.673 -13.959 1.00 0.00 O ATOM 244 CB PHE A 19 22.587 -5.290 -11.916 1.00 0.00 C ATOM 245 CG PHE A 19 21.520 -5.258 -12.977 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.287 -5.845 -12.746 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.744 -4.634 -14.198 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.300 -5.812 -13.709 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.754 -4.599 -15.165 1.00 0.00 C ATOM 250 CZ PHE A 19 19.535 -5.188 -14.918 1.00 0.00 C ATOM 0 H PHE A 19 24.269 -5.731 -10.180 1.00 0.00 H new ATOM 0 HA PHE A 19 22.705 -7.433 -11.756 1.00 0.00 H new ATOM 0 HB2 PHE A 19 22.121 -5.133 -10.943 1.00 0.00 H new ATOM 0 HB3 PHE A 19 23.272 -4.458 -12.080 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.096 -6.334 -11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.700 -4.172 -14.395 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.343 -6.274 -13.517 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.938 -4.111 -16.111 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.761 -5.162 -15.671 1.00 0.00 H new ATOM 260 N MET A 20 25.169 -5.943 -13.379 1.00 0.00 N ATOM 261 CA MET A 20 25.963 -5.981 -14.600 1.00 0.00 C ATOM 262 C MET A 20 26.726 -7.293 -14.719 1.00 0.00 C ATOM 263 O MET A 20 26.861 -7.838 -15.816 1.00 0.00 O ATOM 264 CB MET A 20 26.932 -4.798 -14.648 1.00 0.00 C ATOM 265 CG MET A 20 26.231 -3.452 -14.642 1.00 0.00 C ATOM 266 SD MET A 20 25.095 -3.257 -16.025 1.00 0.00 S ATOM 267 CE MET A 20 24.378 -1.663 -15.643 1.00 0.00 C ATOM 0 H MET A 20 25.458 -5.228 -12.711 1.00 0.00 H new ATOM 0 HA MET A 20 25.279 -5.908 -15.445 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.606 -4.853 -13.793 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.547 -4.876 -15.544 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.683 -3.336 -13.707 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.977 -2.658 -14.675 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.530 -1.478 -16.303 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.040 -1.655 -14.607 1.00 0.00 H new ATOM 0 HE3 MET A 20 25.126 -0.884 -15.786 1.00 0.00 H new ATOM 277 N ASN A 21 27.230 -7.791 -13.589 1.00 0.00 N ATOM 278 CA ASN A 21 27.870 -9.092 -13.536 1.00 0.00 C ATOM 279 C ASN A 21 26.986 -10.166 -14.163 1.00 0.00 C ATOM 280 O ASN A 21 27.362 -10.795 -15.154 1.00 0.00 O ATOM 281 CB ASN A 21 28.157 -9.443 -12.084 1.00 0.00 C ATOM 282 CG ASN A 21 29.544 -9.986 -11.895 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.047 -10.763 -12.709 1.00 0.00 O ATOM 284 ND2 ASN A 21 30.180 -9.560 -10.830 1.00 0.00 N ATOM 0 H ASN A 21 27.203 -7.302 -12.694 1.00 0.00 H new ATOM 0 HA ASN A 21 28.800 -9.050 -14.103 1.00 0.00 H new ATOM 0 HB2 ASN A 21 28.029 -8.555 -11.465 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.431 -10.179 -11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 21 31.134 -9.872 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.721 -8.917 -10.185 1.00 0.00 H new ATOM 291 N SER A 22 25.803 -10.350 -13.592 1.00 0.00 N ATOM 292 CA SER A 22 24.860 -11.342 -14.061 1.00 0.00 C ATOM 293 C SER A 22 24.337 -10.994 -15.455 1.00 0.00 C ATOM 294 O SER A 22 24.067 -11.879 -16.268 1.00 0.00 O ATOM 295 CB SER A 22 23.716 -11.421 -13.061 1.00 0.00 C ATOM 296 OG SER A 22 24.208 -11.656 -11.751 1.00 0.00 O ATOM 0 H SER A 22 25.475 -9.812 -12.790 1.00 0.00 H new ATOM 0 HA SER A 22 25.357 -12.309 -14.139 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.146 -10.492 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.032 -12.220 -13.346 1.00 0.00 H new ATOM 0 HG SER A 22 24.502 -10.809 -11.355 1.00 0.00 H new ATOM 302 N PHE A 23 24.208 -9.700 -15.723 1.00 0.00 N ATOM 303 CA PHE A 23 23.735 -9.219 -17.013 1.00 0.00 C ATOM 304 C PHE A 23 24.663 -9.674 -18.132 1.00 0.00 C ATOM 305 O PHE A 23 24.220 -10.291 -19.095 1.00 0.00 O ATOM 306 CB PHE A 23 23.625 -7.691 -17.005 1.00 0.00 C ATOM 307 CG PHE A 23 23.163 -7.101 -18.308 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.844 -7.224 -18.713 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.051 -6.414 -19.122 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.419 -6.672 -19.908 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.632 -5.864 -20.316 1.00 0.00 C ATOM 312 CZ PHE A 23 22.315 -5.992 -20.709 1.00 0.00 C ATOM 0 H PHE A 23 24.427 -8.960 -15.056 1.00 0.00 H new ATOM 0 HA PHE A 23 22.746 -9.641 -17.193 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.933 -7.392 -16.218 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.598 -7.269 -16.752 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.141 -7.756 -18.090 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.082 -6.308 -18.818 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.388 -6.773 -20.214 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.334 -5.334 -20.943 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.985 -5.560 -21.643 1.00 0.00 H new ATOM 322 N MET A 24 25.951 -9.383 -17.992 1.00 0.00 N ATOM 323 CA MET A 24 26.929 -9.734 -19.020 1.00 0.00 C ATOM 324 C MET A 24 27.088 -11.245 -19.136 1.00 0.00 C ATOM 325 O MET A 24 27.165 -11.780 -20.242 1.00 0.00 O ATOM 326 CB MET A 24 28.286 -9.078 -18.735 1.00 0.00 C ATOM 327 CG MET A 24 28.302 -7.560 -18.901 1.00 0.00 C ATOM 328 SD MET A 24 28.550 -7.011 -20.613 1.00 0.00 S ATOM 329 CE MET A 24 27.051 -7.564 -21.421 1.00 0.00 C ATOM 0 H MET A 24 26.344 -8.906 -17.180 1.00 0.00 H new ATOM 0 HA MET A 24 26.555 -9.355 -19.971 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.587 -9.323 -17.716 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.032 -9.512 -19.401 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.360 -7.154 -18.532 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.094 -7.144 -18.278 1.00 0.00 H new ATOM 0 HE1 MET A 24 26.945 -7.055 -22.379 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.102 -8.640 -21.586 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.192 -7.334 -20.791 1.00 0.00 H new ATOM 339 N GLN A 25 27.115 -11.930 -17.996 1.00 0.00 N ATOM 340 CA GLN A 25 27.251 -13.386 -17.975 1.00 0.00 C ATOM 341 C GLN A 25 26.061 -14.064 -18.645 1.00 0.00 C ATOM 342 O GLN A 25 26.186 -15.156 -19.194 1.00 0.00 O ATOM 343 CB GLN A 25 27.391 -13.884 -16.541 1.00 0.00 C ATOM 344 CG GLN A 25 28.718 -13.511 -15.902 1.00 0.00 C ATOM 345 CD GLN A 25 28.802 -13.905 -14.440 1.00 0.00 C ATOM 346 OE1 GLN A 25 27.801 -13.907 -13.721 1.00 0.00 O ATOM 347 NE2 GLN A 25 30.000 -14.239 -13.988 1.00 0.00 N ATOM 0 H GLN A 25 27.045 -11.501 -17.073 1.00 0.00 H new ATOM 0 HA GLN A 25 28.150 -13.644 -18.535 1.00 0.00 H new ATOM 0 HB2 GLN A 25 26.579 -13.474 -15.941 1.00 0.00 H new ATOM 0 HB3 GLN A 25 27.281 -14.968 -16.528 1.00 0.00 H new ATOM 0 HG2 GLN A 25 29.527 -13.994 -16.450 1.00 0.00 H new ATOM 0 HG3 GLN A 25 28.869 -12.435 -15.992 1.00 0.00 H new ATOM 0 HE21 GLN A 25 30.804 -14.225 -14.615 1.00 0.00 H new ATOM 0 HE22 GLN A 25 30.119 -14.511 -13.012 1.00 0.00 H new ATOM 356 N GLY A 26 24.905 -13.424 -18.574 1.00 0.00 N ATOM 357 CA GLY A 26 23.735 -13.933 -19.259 1.00 0.00 C ATOM 358 C GLY A 26 23.693 -13.501 -20.711 1.00 0.00 C ATOM 359 O GLY A 26 23.321 -14.279 -21.590 1.00 0.00 O ATOM 0 H GLY A 26 24.755 -12.560 -18.054 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.728 -15.022 -19.205 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.837 -13.583 -18.751 1.00 0.00 H new ATOM 363 N LEU A 27 24.096 -12.258 -20.954 1.00 0.00 N ATOM 364 CA LEU A 27 24.063 -11.657 -22.287 1.00 0.00 C ATOM 365 C LEU A 27 24.985 -12.411 -23.250 1.00 0.00 C ATOM 366 O LEU A 27 24.665 -12.573 -24.425 1.00 0.00 O ATOM 367 CB LEU A 27 24.489 -10.182 -22.188 1.00 0.00 C ATOM 368 CG LEU A 27 23.829 -9.197 -23.170 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.205 -9.502 -24.611 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.318 -9.197 -23.006 1.00 0.00 C ATOM 0 H LEU A 27 24.456 -11.635 -20.231 1.00 0.00 H new ATOM 0 HA LEU A 27 23.047 -11.720 -22.678 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.285 -9.838 -21.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.568 -10.131 -22.331 1.00 0.00 H new ATOM 0 HG LEU A 27 24.205 -8.202 -22.931 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.720 -8.785 -25.273 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.286 -9.430 -24.728 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.879 -10.510 -24.866 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.876 -8.493 -23.711 1.00 0.00 H new ATOM 0 HD22 LEU A 27 21.931 -10.197 -23.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.062 -8.901 -21.989 1.00 0.00 H new ATOM 382 N SER A 28 26.112 -12.892 -22.736 1.00 0.00 N ATOM 383 CA SER A 28 27.097 -13.588 -23.548 1.00 0.00 C ATOM 384 C SER A 28 26.552 -14.911 -24.083 1.00 0.00 C ATOM 385 O SER A 28 27.072 -15.466 -25.048 1.00 0.00 O ATOM 386 CB SER A 28 28.348 -13.835 -22.712 1.00 0.00 C ATOM 387 OG SER A 28 28.011 -14.442 -21.478 1.00 0.00 O ATOM 0 H SER A 28 26.365 -12.810 -21.751 1.00 0.00 H new ATOM 0 HA SER A 28 27.340 -12.964 -24.408 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.039 -14.475 -23.261 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.863 -12.892 -22.531 1.00 0.00 H new ATOM 0 HG SER A 28 27.826 -13.748 -20.812 1.00 0.00 H new ATOM 393 N SER A 29 25.499 -15.412 -23.449 1.00 0.00 N ATOM 394 CA SER A 29 24.896 -16.666 -23.852 1.00 0.00 C ATOM 395 C SER A 29 23.651 -16.410 -24.696 1.00 0.00 C ATOM 396 O SER A 29 22.939 -17.340 -25.083 1.00 0.00 O ATOM 397 CB SER A 29 24.542 -17.479 -22.613 1.00 0.00 C ATOM 398 OG SER A 29 25.651 -17.554 -21.733 1.00 0.00 O ATOM 0 H SER A 29 25.047 -14.964 -22.652 1.00 0.00 H new ATOM 0 HA SER A 29 25.607 -17.228 -24.457 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.695 -17.022 -22.101 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.234 -18.483 -22.906 1.00 0.00 H new ATOM 0 HG SER A 29 25.406 -18.078 -20.942 1.00 0.00 H new ATOM 404 N MET A 30 23.394 -15.139 -24.968 1.00 0.00 N ATOM 405 CA MET A 30 22.249 -14.736 -25.763 1.00 0.00 C ATOM 406 C MET A 30 22.656 -14.486 -27.208 1.00 0.00 C ATOM 407 O MET A 30 23.692 -13.880 -27.475 1.00 0.00 O ATOM 408 CB MET A 30 21.637 -13.462 -25.192 1.00 0.00 C ATOM 409 CG MET A 30 21.137 -13.584 -23.766 1.00 0.00 C ATOM 410 SD MET A 30 19.785 -14.762 -23.590 1.00 0.00 S ATOM 411 CE MET A 30 19.273 -14.394 -21.917 1.00 0.00 C ATOM 0 H MET A 30 23.972 -14.363 -24.644 1.00 0.00 H new ATOM 0 HA MET A 30 21.517 -15.543 -25.733 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.381 -12.667 -25.235 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.807 -13.157 -25.829 1.00 0.00 H new ATOM 0 HG2 MET A 30 21.962 -13.889 -23.123 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.806 -12.605 -23.418 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.316 -14.876 -21.715 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.022 -14.766 -21.217 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.168 -13.316 -21.797 1.00 0.00 H new ATOM 421 N PRO A 31 21.847 -14.960 -28.158 1.00 0.00 N ATOM 422 CA PRO A 31 22.070 -14.697 -29.578 1.00 0.00 C ATOM 423 C PRO A 31 21.719 -13.256 -29.946 1.00 0.00 C ATOM 424 O PRO A 31 20.753 -12.692 -29.427 1.00 0.00 O ATOM 425 CB PRO A 31 21.121 -15.678 -30.267 1.00 0.00 C ATOM 426 CG PRO A 31 20.023 -15.894 -29.283 1.00 0.00 C ATOM 427 CD PRO A 31 20.656 -15.797 -27.925 1.00 0.00 C ATOM 0 HA PRO A 31 23.113 -14.823 -29.869 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.740 -15.269 -31.203 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.625 -16.613 -30.510 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.240 -15.145 -29.402 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.557 -16.869 -29.427 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.982 -15.342 -27.200 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.926 -16.779 -27.537 1.00 0.00 H new ATOM 435 N GLY A 32 22.511 -12.654 -30.821 1.00 0.00 N ATOM 436 CA GLY A 32 22.212 -11.313 -31.276 1.00 0.00 C ATOM 437 C GLY A 32 23.427 -10.411 -31.282 1.00 0.00 C ATOM 438 O GLY A 32 23.520 -9.488 -32.094 1.00 0.00 O ATOM 0 H GLY A 32 23.352 -13.069 -31.222 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.795 -11.360 -32.282 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.446 -10.879 -30.634 1.00 0.00 H new ATOM 442 N PHE A 33 24.375 -10.683 -30.399 1.00 0.00 N ATOM 443 CA PHE A 33 25.534 -9.817 -30.249 1.00 0.00 C ATOM 444 C PHE A 33 26.837 -10.577 -30.467 1.00 0.00 C ATOM 445 O PHE A 33 26.838 -11.708 -30.947 1.00 0.00 O ATOM 446 CB PHE A 33 25.526 -9.162 -28.867 1.00 0.00 C ATOM 447 CG PHE A 33 24.374 -8.223 -28.670 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.333 -7.014 -29.341 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.330 -8.553 -27.822 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.275 -6.150 -29.170 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.268 -7.690 -27.645 1.00 0.00 C ATOM 452 CZ PHE A 33 22.239 -6.486 -28.321 1.00 0.00 C ATOM 0 H PHE A 33 24.365 -11.492 -29.778 1.00 0.00 H new ATOM 0 HA PHE A 33 25.472 -9.043 -31.014 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.489 -9.939 -28.103 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.460 -8.618 -28.724 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.140 -6.745 -30.006 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.347 -9.495 -27.294 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.255 -5.209 -29.700 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.461 -7.956 -26.979 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.408 -5.809 -28.186 1.00 0.00 H new ATOM 462 N THR A 34 27.942 -9.928 -30.127 1.00 0.00 N ATOM 463 CA THR A 34 29.268 -10.498 -30.297 1.00 0.00 C ATOM 464 C THR A 34 30.208 -9.895 -29.259 1.00 0.00 C ATOM 465 O THR A 34 29.816 -8.983 -28.532 1.00 0.00 O ATOM 466 CB THR A 34 29.808 -10.232 -31.720 1.00 0.00 C ATOM 467 OG1 THR A 34 31.035 -10.935 -31.928 1.00 0.00 O ATOM 468 CG2 THR A 34 30.025 -8.742 -31.952 1.00 0.00 C ATOM 0 H THR A 34 27.943 -8.990 -29.725 1.00 0.00 H new ATOM 0 HA THR A 34 29.208 -11.577 -30.158 1.00 0.00 H new ATOM 0 HB THR A 34 29.064 -10.591 -32.432 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.364 -10.758 -32.834 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.405 -8.582 -32.961 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.079 -8.214 -31.833 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.746 -8.362 -31.228 1.00 0.00 H new ATOM 476 N ALA A 35 31.442 -10.382 -29.208 1.00 0.00 N ATOM 477 CA ALA A 35 32.407 -9.939 -28.207 1.00 0.00 C ATOM 478 C ALA A 35 32.654 -8.433 -28.293 1.00 0.00 C ATOM 479 O ALA A 35 32.790 -7.758 -27.273 1.00 0.00 O ATOM 480 CB ALA A 35 33.713 -10.700 -28.364 1.00 0.00 C ATOM 0 H ALA A 35 31.800 -11.088 -29.852 1.00 0.00 H new ATOM 0 HA ALA A 35 31.988 -10.150 -27.223 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.425 -10.360 -27.611 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.530 -11.767 -28.235 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.122 -10.519 -29.358 1.00 0.00 H new ATOM 486 N SER A 36 32.688 -7.913 -29.515 1.00 0.00 N ATOM 487 CA SER A 36 32.880 -6.482 -29.740 1.00 0.00 C ATOM 488 C SER A 36 31.720 -5.688 -29.139 1.00 0.00 C ATOM 489 O SER A 36 31.919 -4.639 -28.520 1.00 0.00 O ATOM 490 CB SER A 36 33.003 -6.198 -31.243 1.00 0.00 C ATOM 491 OG SER A 36 33.165 -4.813 -31.505 1.00 0.00 O ATOM 0 H SER A 36 32.585 -8.462 -30.369 1.00 0.00 H new ATOM 0 HA SER A 36 33.801 -6.169 -29.248 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.853 -6.747 -31.648 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.114 -6.564 -31.756 1.00 0.00 H new ATOM 0 HG SER A 36 33.242 -4.670 -32.471 1.00 0.00 H new ATOM 497 N GLN A 37 30.512 -6.213 -29.302 1.00 0.00 N ATOM 498 CA GLN A 37 29.313 -5.565 -28.787 1.00 0.00 C ATOM 499 C GLN A 37 29.208 -5.740 -27.275 1.00 0.00 C ATOM 500 O GLN A 37 28.743 -4.847 -26.571 1.00 0.00 O ATOM 501 CB GLN A 37 28.067 -6.116 -29.491 1.00 0.00 C ATOM 502 CG GLN A 37 27.609 -5.261 -30.667 1.00 0.00 C ATOM 503 CD GLN A 37 28.731 -4.923 -31.631 1.00 0.00 C ATOM 504 OE1 GLN A 37 29.443 -3.938 -31.447 1.00 0.00 O ATOM 505 NE2 GLN A 37 28.867 -5.701 -32.688 1.00 0.00 N ATOM 0 H GLN A 37 30.337 -7.091 -29.790 1.00 0.00 H new ATOM 0 HA GLN A 37 29.381 -4.497 -28.994 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.275 -7.126 -29.845 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.254 -6.192 -28.769 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.821 -5.788 -31.206 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.173 -4.337 -30.288 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.258 -6.510 -32.807 1.00 0.00 H new ATOM 0 HE22 GLN A 37 29.581 -5.493 -33.386 1.00 0.00 H new ATOM 514 N LEU A 38 29.663 -6.884 -26.778 1.00 0.00 N ATOM 515 CA LEU A 38 29.673 -7.143 -25.342 1.00 0.00 C ATOM 516 C LEU A 38 30.657 -6.213 -24.644 1.00 0.00 C ATOM 517 O LEU A 38 30.422 -5.769 -23.519 1.00 0.00 O ATOM 518 CB LEU A 38 30.044 -8.602 -25.058 1.00 0.00 C ATOM 519 CG LEU A 38 29.113 -9.650 -25.675 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.587 -11.055 -25.334 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.683 -9.440 -25.207 1.00 0.00 C ATOM 0 H LEU A 38 30.030 -7.647 -27.347 1.00 0.00 H new ATOM 0 HA LEU A 38 28.671 -6.956 -24.955 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.055 -8.779 -25.424 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.065 -8.750 -23.978 1.00 0.00 H new ATOM 0 HG LEU A 38 29.138 -9.533 -26.758 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.913 -11.785 -25.781 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.594 -11.204 -25.724 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.595 -11.184 -24.252 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.038 -10.195 -25.657 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.639 -9.526 -24.121 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.344 -8.448 -25.506 1.00 0.00 H new ATOM 533 N ASP A 39 31.753 -5.914 -25.333 1.00 0.00 N ATOM 534 CA ASP A 39 32.779 -5.024 -24.807 1.00 0.00 C ATOM 535 C ASP A 39 32.210 -3.629 -24.579 1.00 0.00 C ATOM 536 O ASP A 39 32.511 -2.974 -23.576 1.00 0.00 O ATOM 537 CB ASP A 39 33.954 -4.947 -25.776 1.00 0.00 C ATOM 538 CG ASP A 39 35.163 -4.258 -25.177 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.261 -3.020 -25.279 1.00 0.00 O ATOM 540 OD2 ASP A 39 36.023 -4.959 -24.606 1.00 0.00 O ATOM 0 H ASP A 39 31.953 -6.279 -26.264 1.00 0.00 H new ATOM 0 HA ASP A 39 33.125 -5.424 -23.854 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.231 -5.955 -26.085 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.644 -4.412 -26.674 1.00 0.00 H new ATOM 545 N ASP A 40 31.372 -3.187 -25.508 1.00 0.00 N ATOM 546 CA ASP A 40 30.764 -1.867 -25.416 1.00 0.00 C ATOM 547 C ASP A 40 29.761 -1.849 -24.271 1.00 0.00 C ATOM 548 O ASP A 40 29.737 -0.915 -23.471 1.00 0.00 O ATOM 549 CB ASP A 40 30.074 -1.495 -26.728 1.00 0.00 C ATOM 550 CG ASP A 40 30.108 -0.003 -26.993 1.00 0.00 C ATOM 551 OD1 ASP A 40 29.272 0.729 -26.435 1.00 0.00 O ATOM 552 OD2 ASP A 40 30.977 0.447 -27.771 1.00 0.00 O ATOM 0 H ASP A 40 31.099 -3.722 -26.332 1.00 0.00 H new ATOM 0 HA ASP A 40 31.546 -1.132 -25.225 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.558 -2.019 -27.552 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.038 -1.833 -26.700 1.00 0.00 H new ATOM 557 N MET A 41 28.952 -2.908 -24.199 1.00 0.00 N ATOM 558 CA MET A 41 28.017 -3.116 -23.091 1.00 0.00 C ATOM 559 C MET A 41 28.700 -2.903 -21.743 1.00 0.00 C ATOM 560 O MET A 41 28.227 -2.127 -20.911 1.00 0.00 O ATOM 561 CB MET A 41 27.456 -4.538 -23.140 1.00 0.00 C ATOM 562 CG MET A 41 26.562 -4.818 -24.331 1.00 0.00 C ATOM 563 SD MET A 41 25.005 -3.922 -24.260 1.00 0.00 S ATOM 564 CE MET A 41 24.268 -4.454 -25.798 1.00 0.00 C ATOM 0 H MET A 41 28.926 -3.644 -24.905 1.00 0.00 H new ATOM 0 HA MET A 41 27.211 -2.390 -23.197 1.00 0.00 H new ATOM 0 HB2 MET A 41 28.287 -5.243 -23.151 1.00 0.00 H new ATOM 0 HB3 MET A 41 26.892 -4.725 -22.226 1.00 0.00 H new ATOM 0 HG2 MET A 41 27.089 -4.549 -25.246 1.00 0.00 H new ATOM 0 HG3 MET A 41 26.358 -5.888 -24.383 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.618 -3.667 -26.181 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.053 -4.662 -26.525 1.00 0.00 H new ATOM 0 HE3 MET A 41 23.682 -5.357 -25.628 1.00 0.00 H new ATOM 574 N SER A 42 29.821 -3.591 -21.539 1.00 0.00 N ATOM 575 CA SER A 42 30.556 -3.501 -20.284 1.00 0.00 C ATOM 576 C SER A 42 31.028 -2.073 -20.028 1.00 0.00 C ATOM 577 O SER A 42 31.007 -1.592 -18.894 1.00 0.00 O ATOM 578 CB SER A 42 31.757 -4.446 -20.303 1.00 0.00 C ATOM 579 OG SER A 42 31.354 -5.795 -20.469 1.00 0.00 O ATOM 0 H SER A 42 30.239 -4.217 -22.228 1.00 0.00 H new ATOM 0 HA SER A 42 29.882 -3.793 -19.479 1.00 0.00 H new ATOM 0 HB2 SER A 42 32.430 -4.164 -21.112 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.316 -4.344 -19.373 1.00 0.00 H new ATOM 0 HG SER A 42 30.375 -5.844 -20.488 1.00 0.00 H new ATOM 585 N THR A 43 31.427 -1.397 -21.096 1.00 0.00 N ATOM 586 CA THR A 43 31.920 -0.035 -21.001 1.00 0.00 C ATOM 587 C THR A 43 30.794 0.928 -20.625 1.00 0.00 C ATOM 588 O THR A 43 30.973 1.805 -19.779 1.00 0.00 O ATOM 589 CB THR A 43 32.569 0.399 -22.328 1.00 0.00 C ATOM 590 OG1 THR A 43 33.592 -0.541 -22.692 1.00 0.00 O ATOM 591 CG2 THR A 43 33.170 1.791 -22.218 1.00 0.00 C ATOM 0 H THR A 43 31.418 -1.775 -22.043 1.00 0.00 H new ATOM 0 HA THR A 43 32.675 -0.005 -20.215 1.00 0.00 H new ATOM 0 HB THR A 43 31.795 0.422 -23.096 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.177 -1.370 -23.008 1.00 0.00 H new ATOM 0 HG21 THR A 43 33.621 2.069 -23.171 1.00 0.00 H new ATOM 0 HG22 THR A 43 32.388 2.506 -21.964 1.00 0.00 H new ATOM 0 HG23 THR A 43 33.933 1.797 -21.440 1.00 0.00 H new ATOM 599 N ILE A 44 29.628 0.749 -21.240 1.00 0.00 N ATOM 600 CA ILE A 44 28.463 1.555 -20.902 1.00 0.00 C ATOM 601 C ILE A 44 28.055 1.289 -19.463 1.00 0.00 C ATOM 602 O ILE A 44 27.703 2.210 -18.720 1.00 0.00 O ATOM 603 CB ILE A 44 27.261 1.264 -21.819 1.00 0.00 C ATOM 604 CG1 ILE A 44 27.619 1.521 -23.285 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.072 2.110 -21.399 1.00 0.00 C ATOM 606 CD1 ILE A 44 28.166 2.908 -23.546 1.00 0.00 C ATOM 0 H ILE A 44 29.467 0.056 -21.971 1.00 0.00 H new ATOM 0 HA ILE A 44 28.747 2.599 -21.038 1.00 0.00 H new ATOM 0 HB ILE A 44 26.994 0.212 -21.721 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.356 0.784 -23.604 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.731 1.370 -23.898 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.226 1.898 -22.053 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.803 1.874 -20.369 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.332 3.166 -21.473 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.396 3.015 -24.606 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.423 3.652 -23.259 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.073 3.057 -22.961 1.00 0.00 H new ATOM 618 N ALA A 45 28.115 0.020 -19.078 1.00 0.00 N ATOM 619 CA ALA A 45 27.856 -0.379 -17.706 1.00 0.00 C ATOM 620 C ALA A 45 28.720 0.436 -16.751 1.00 0.00 C ATOM 621 O ALA A 45 28.230 0.947 -15.750 1.00 0.00 O ATOM 622 CB ALA A 45 28.118 -1.866 -17.526 1.00 0.00 C ATOM 0 H ALA A 45 28.343 -0.753 -19.704 1.00 0.00 H new ATOM 0 HA ALA A 45 26.808 -0.187 -17.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.919 -2.148 -16.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.465 -2.433 -18.189 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.158 -2.084 -17.768 1.00 0.00 H new ATOM 628 N GLN A 46 29.998 0.589 -17.090 1.00 0.00 N ATOM 629 CA GLN A 46 30.917 1.362 -16.260 1.00 0.00 C ATOM 630 C GLN A 46 30.450 2.806 -16.142 1.00 0.00 C ATOM 631 O GLN A 46 30.491 3.392 -15.059 1.00 0.00 O ATOM 632 CB GLN A 46 32.340 1.341 -16.837 1.00 0.00 C ATOM 633 CG GLN A 46 32.932 -0.046 -17.032 1.00 0.00 C ATOM 634 CD GLN A 46 32.821 -0.919 -15.803 1.00 0.00 C ATOM 635 OE1 GLN A 46 33.671 -0.876 -14.916 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.789 -1.746 -15.763 1.00 0.00 N ATOM 0 H GLN A 46 30.419 0.190 -17.929 1.00 0.00 H new ATOM 0 HA GLN A 46 30.928 0.900 -15.273 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.334 1.856 -17.798 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.993 1.909 -16.175 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.427 -0.536 -17.864 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.982 0.050 -17.308 1.00 0.00 H new ATOM 0 HE21 GLN A 46 31.107 -1.748 -16.522 1.00 0.00 H new ATOM 0 HE22 GLN A 46 31.675 -2.382 -14.974 1.00 0.00 H new ATOM 645 N SER A 47 29.977 3.360 -17.255 1.00 0.00 N ATOM 646 CA SER A 47 29.574 4.755 -17.306 1.00 0.00 C ATOM 647 C SER A 47 28.440 5.022 -16.322 1.00 0.00 C ATOM 648 O SER A 47 28.456 6.013 -15.589 1.00 0.00 O ATOM 649 CB SER A 47 29.144 5.124 -18.732 1.00 0.00 C ATOM 650 OG SER A 47 28.773 6.490 -18.832 1.00 0.00 O ATOM 0 H SER A 47 29.865 2.858 -18.136 1.00 0.00 H new ATOM 0 HA SER A 47 30.424 5.375 -17.022 1.00 0.00 H new ATOM 0 HB2 SER A 47 29.961 4.917 -19.423 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.305 4.496 -19.033 1.00 0.00 H new ATOM 0 HG SER A 47 28.507 6.690 -19.754 1.00 0.00 H new ATOM 656 N MET A 48 27.465 4.126 -16.291 1.00 0.00 N ATOM 657 CA MET A 48 26.303 4.321 -15.439 1.00 0.00 C ATOM 658 C MET A 48 26.550 3.823 -14.015 1.00 0.00 C ATOM 659 O MET A 48 25.997 4.377 -13.068 1.00 0.00 O ATOM 660 CB MET A 48 25.070 3.654 -16.041 1.00 0.00 C ATOM 661 CG MET A 48 25.135 2.139 -16.110 1.00 0.00 C ATOM 662 SD MET A 48 23.640 1.435 -16.822 1.00 0.00 S ATOM 663 CE MET A 48 22.395 2.247 -15.823 1.00 0.00 C ATOM 0 H MET A 48 27.455 3.266 -16.840 1.00 0.00 H new ATOM 0 HA MET A 48 26.121 5.394 -15.380 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.197 3.940 -15.454 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.919 4.043 -17.048 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.997 1.839 -16.706 1.00 0.00 H new ATOM 0 HG3 MET A 48 25.285 1.736 -15.108 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.463 1.684 -15.875 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.733 2.294 -14.788 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.230 3.257 -16.197 1.00 0.00 H new ATOM 673 N VAL A 49 27.391 2.799 -13.852 1.00 0.00 N ATOM 674 CA VAL A 49 27.684 2.278 -12.520 1.00 0.00 C ATOM 675 C VAL A 49 28.427 3.319 -11.688 1.00 0.00 C ATOM 676 O VAL A 49 28.114 3.513 -10.517 1.00 0.00 O ATOM 677 CB VAL A 49 28.491 0.955 -12.565 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.061 0.606 -11.196 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.617 -0.189 -13.065 1.00 0.00 C ATOM 0 H VAL A 49 27.873 2.322 -14.614 1.00 0.00 H new ATOM 0 HA VAL A 49 26.726 2.057 -12.050 1.00 0.00 H new ATOM 0 HB VAL A 49 29.321 1.101 -13.256 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.621 -0.327 -11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.724 1.405 -10.864 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.246 0.490 -10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.201 -1.109 -13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.767 -0.317 -12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.257 0.039 -14.068 1.00 0.00 H new ATOM 689 N GLN A 50 29.379 4.017 -12.302 1.00 0.00 N ATOM 690 CA GLN A 50 30.140 5.042 -11.591 1.00 0.00 C ATOM 691 C GLN A 50 29.221 6.147 -11.071 1.00 0.00 C ATOM 692 O GLN A 50 29.462 6.721 -10.009 1.00 0.00 O ATOM 693 CB GLN A 50 31.223 5.638 -12.483 1.00 0.00 C ATOM 694 CG GLN A 50 32.359 4.677 -12.786 1.00 0.00 C ATOM 695 CD GLN A 50 33.046 4.168 -11.533 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.977 4.791 -11.020 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.607 3.019 -11.043 1.00 0.00 N ATOM 0 H GLN A 50 29.640 3.894 -13.280 1.00 0.00 H new ATOM 0 HA GLN A 50 30.620 4.561 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 50 30.772 5.961 -13.421 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.629 6.527 -12.002 1.00 0.00 H new ATOM 0 HG2 GLN A 50 31.972 3.830 -13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.092 5.176 -13.420 1.00 0.00 H new ATOM 0 HE21 GLN A 50 31.833 2.533 -11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.042 2.619 -10.212 1.00 0.00 H new ATOM 706 N SER A 51 28.156 6.424 -11.815 1.00 0.00 N ATOM 707 CA SER A 51 27.168 7.408 -11.399 1.00 0.00 C ATOM 708 C SER A 51 26.449 6.922 -10.149 1.00 0.00 C ATOM 709 O SER A 51 26.236 7.676 -9.198 1.00 0.00 O ATOM 710 CB SER A 51 26.158 7.647 -12.524 1.00 0.00 C ATOM 711 OG SER A 51 26.821 7.939 -13.743 1.00 0.00 O ATOM 0 H SER A 51 27.956 5.979 -12.711 1.00 0.00 H new ATOM 0 HA SER A 51 27.675 8.347 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 51 25.530 6.765 -12.649 1.00 0.00 H new ATOM 0 HB3 SER A 51 25.498 8.472 -12.257 1.00 0.00 H new ATOM 0 HG SER A 51 27.166 7.110 -14.135 1.00 0.00 H new ATOM 717 N ILE A 52 26.104 5.642 -10.159 1.00 0.00 N ATOM 718 CA ILE A 52 25.401 5.013 -9.051 1.00 0.00 C ATOM 719 C ILE A 52 26.285 4.957 -7.808 1.00 0.00 C ATOM 720 O ILE A 52 25.801 5.119 -6.685 1.00 0.00 O ATOM 721 CB ILE A 52 24.935 3.598 -9.440 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.017 3.691 -10.660 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.219 2.926 -8.276 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.703 2.357 -11.289 1.00 0.00 C ATOM 0 H ILE A 52 26.304 5.011 -10.935 1.00 0.00 H new ATOM 0 HA ILE A 52 24.524 5.617 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 52 25.804 2.988 -9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.084 4.172 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.484 4.333 -11.407 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.899 1.928 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.897 2.851 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.348 3.518 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.048 2.505 -12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.628 1.882 -11.616 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.206 1.718 -10.559 1.00 0.00 H new ATOM 736 N GLN A 53 27.585 4.744 -8.018 1.00 0.00 N ATOM 737 CA GLN A 53 28.550 4.777 -6.925 1.00 0.00 C ATOM 738 C GLN A 53 28.458 6.113 -6.198 1.00 0.00 C ATOM 739 O GLN A 53 28.411 6.167 -4.970 1.00 0.00 O ATOM 740 CB GLN A 53 29.985 4.598 -7.440 1.00 0.00 C ATOM 741 CG GLN A 53 30.210 3.374 -8.312 1.00 0.00 C ATOM 742 CD GLN A 53 29.820 2.077 -7.640 1.00 0.00 C ATOM 743 OE1 GLN A 53 28.691 1.615 -7.771 1.00 0.00 O ATOM 744 NE2 GLN A 53 30.752 1.481 -6.916 1.00 0.00 N ATOM 0 H GLN A 53 27.990 4.548 -8.933 1.00 0.00 H new ATOM 0 HA GLN A 53 28.313 3.956 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.264 5.486 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.657 4.543 -6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.638 3.483 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.262 3.326 -8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 53 31.679 1.899 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 53 30.544 0.603 -6.440 1.00 0.00 H new ATOM 753 N SER A 54 28.415 7.185 -6.980 1.00 0.00 N ATOM 754 CA SER A 54 28.349 8.533 -6.439 1.00 0.00 C ATOM 755 C SER A 54 27.005 8.790 -5.760 1.00 0.00 C ATOM 756 O SER A 54 26.959 9.350 -4.665 1.00 0.00 O ATOM 757 CB SER A 54 28.578 9.550 -7.559 1.00 0.00 C ATOM 758 OG SER A 54 29.782 9.277 -8.259 1.00 0.00 O ATOM 0 H SER A 54 28.425 7.143 -7.999 1.00 0.00 H new ATOM 0 HA SER A 54 29.130 8.640 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 54 27.737 9.527 -8.253 1.00 0.00 H new ATOM 0 HB3 SER A 54 28.618 10.555 -7.139 1.00 0.00 H new ATOM 0 HG SER A 54 29.663 8.479 -8.816 1.00 0.00 H new ATOM 764 N LEU A 55 25.919 8.358 -6.398 1.00 0.00 N ATOM 765 CA LEU A 55 24.574 8.592 -5.891 1.00 0.00 C ATOM 766 C LEU A 55 24.431 8.157 -4.435 1.00 0.00 C ATOM 767 O LEU A 55 24.036 8.950 -3.578 1.00 0.00 O ATOM 768 CB LEU A 55 23.548 7.856 -6.753 1.00 0.00 C ATOM 769 CG LEU A 55 23.345 8.417 -8.160 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.307 7.600 -8.913 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.935 9.882 -8.108 1.00 0.00 C ATOM 0 H LEU A 55 25.949 7.839 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 55 24.390 9.665 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 23.852 6.813 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.589 7.867 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 55 24.294 8.350 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.174 8.013 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.643 6.566 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.358 7.635 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 55 22.797 10.257 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.001 9.979 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 23.713 10.460 -7.610 1.00 0.00 H new ATOM 783 N ALA A 56 24.789 6.909 -4.154 1.00 0.00 N ATOM 784 CA ALA A 56 24.609 6.345 -2.820 1.00 0.00 C ATOM 785 C ALA A 56 25.766 6.701 -1.886 1.00 0.00 C ATOM 786 O ALA A 56 25.869 6.170 -0.781 1.00 0.00 O ATOM 787 CB ALA A 56 24.440 4.837 -2.911 1.00 0.00 C ATOM 0 H ALA A 56 25.205 6.269 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 56 23.706 6.783 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.306 4.425 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.566 4.605 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.327 4.398 -3.369 1.00 0.00 H new ATOM 793 N ALA A 57 26.637 7.590 -2.335 1.00 0.00 N ATOM 794 CA ALA A 57 27.725 8.079 -1.504 1.00 0.00 C ATOM 795 C ALA A 57 27.488 9.541 -1.166 1.00 0.00 C ATOM 796 O ALA A 57 27.829 10.008 -0.079 1.00 0.00 O ATOM 797 CB ALA A 57 29.061 7.907 -2.214 1.00 0.00 C ATOM 0 H ALA A 57 26.611 7.989 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 57 27.756 7.499 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.863 8.279 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.227 6.851 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.051 8.468 -3.148 1.00 0.00 H new ATOM 803 N GLN A 58 26.892 10.256 -2.109 1.00 0.00 N ATOM 804 CA GLN A 58 26.553 11.655 -1.914 1.00 0.00 C ATOM 805 C GLN A 58 25.209 11.782 -1.211 1.00 0.00 C ATOM 806 O GLN A 58 24.984 12.714 -0.442 1.00 0.00 O ATOM 807 CB GLN A 58 26.489 12.380 -3.260 1.00 0.00 C ATOM 808 CG GLN A 58 27.751 12.247 -4.091 1.00 0.00 C ATOM 809 CD GLN A 58 27.601 12.851 -5.473 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.177 12.178 -6.414 1.00 0.00 O ATOM 811 NE2 GLN A 58 27.956 14.115 -5.613 1.00 0.00 N ATOM 0 H GLN A 58 26.632 9.885 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 58 27.327 12.109 -1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 58 25.647 11.990 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.292 13.437 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 58 28.577 12.734 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.011 11.193 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 58 28.303 14.639 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 58 27.884 14.567 -6.524 1.00 0.00 H new ATOM 820 N GLY A 59 24.322 10.834 -1.480 1.00 0.00 N ATOM 821 CA GLY A 59 22.976 10.905 -0.953 1.00 0.00 C ATOM 822 C GLY A 59 22.041 11.583 -1.929 1.00 0.00 C ATOM 823 O GLY A 59 21.164 12.354 -1.537 1.00 0.00 O ATOM 0 H GLY A 59 24.513 10.014 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.614 9.900 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.980 11.452 -0.010 1.00 0.00 H new ATOM 827 N ARG A 60 22.232 11.294 -3.208 1.00 0.00 N ATOM 828 CA ARG A 60 21.442 11.917 -4.257 1.00 0.00 C ATOM 829 C ARG A 60 20.686 10.876 -5.068 1.00 0.00 C ATOM 830 O ARG A 60 20.296 11.135 -6.207 1.00 0.00 O ATOM 831 CB ARG A 60 22.331 12.736 -5.191 1.00 0.00 C ATOM 832 CG ARG A 60 22.872 14.009 -4.570 1.00 0.00 C ATOM 833 CD ARG A 60 23.323 14.980 -5.645 1.00 0.00 C ATOM 834 NE ARG A 60 23.773 16.255 -5.090 1.00 0.00 N ATOM 835 CZ ARG A 60 22.966 17.289 -4.844 1.00 0.00 C ATOM 836 NH1 ARG A 60 21.661 17.189 -5.065 1.00 0.00 N ATOM 837 NH2 ARG A 60 23.465 18.425 -4.376 1.00 0.00 N ATOM 0 H ARG A 60 22.930 10.630 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 60 20.723 12.577 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.168 12.117 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.762 12.993 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.103 14.474 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.709 13.772 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.133 14.531 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 60 22.501 15.158 -6.338 1.00 0.00 H new ATOM 0 HE ARG A 60 24.765 16.361 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 60 21.270 16.318 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 60 21.049 17.983 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 60 24.467 18.509 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 60 22.847 19.215 -4.188 1.00 0.00 H new ATOM 851 N THR A 61 20.468 9.708 -4.488 1.00 0.00 N ATOM 852 CA THR A 61 19.772 8.643 -5.188 1.00 0.00 C ATOM 853 C THR A 61 18.265 8.897 -5.179 1.00 0.00 C ATOM 854 O THR A 61 17.518 8.304 -4.400 1.00 0.00 O ATOM 855 CB THR A 61 20.072 7.262 -4.570 1.00 0.00 C ATOM 856 OG1 THR A 61 21.449 7.194 -4.177 1.00 0.00 O ATOM 857 CG2 THR A 61 19.783 6.154 -5.571 1.00 0.00 C ATOM 0 H THR A 61 20.761 9.474 -3.539 1.00 0.00 H new ATOM 0 HA THR A 61 20.133 8.638 -6.216 1.00 0.00 H new ATOM 0 HB THR A 61 19.432 7.129 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.634 6.316 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.001 5.187 -5.117 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.733 6.190 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.408 6.289 -6.454 1.00 0.00 H new ATOM 865 N SER A 62 17.838 9.827 -6.021 1.00 0.00 N ATOM 866 CA SER A 62 16.431 10.147 -6.165 1.00 0.00 C ATOM 867 C SER A 62 15.887 9.479 -7.424 1.00 0.00 C ATOM 868 O SER A 62 16.619 9.333 -8.404 1.00 0.00 O ATOM 869 CB SER A 62 16.253 11.666 -6.263 1.00 0.00 C ATOM 870 OG SER A 62 17.185 12.348 -5.435 1.00 0.00 O ATOM 0 H SER A 62 18.455 10.376 -6.619 1.00 0.00 H new ATOM 0 HA SER A 62 15.884 9.781 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.382 11.984 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.238 11.935 -5.971 1.00 0.00 H new ATOM 0 HG SER A 62 16.835 13.235 -5.210 1.00 0.00 H new ATOM 876 N PRO A 63 14.608 9.064 -7.421 1.00 0.00 N ATOM 877 CA PRO A 63 13.963 8.452 -8.595 1.00 0.00 C ATOM 878 C PRO A 63 14.129 9.297 -9.859 1.00 0.00 C ATOM 879 O PRO A 63 14.178 8.770 -10.971 1.00 0.00 O ATOM 880 CB PRO A 63 12.491 8.380 -8.188 1.00 0.00 C ATOM 881 CG PRO A 63 12.518 8.301 -6.702 1.00 0.00 C ATOM 882 CD PRO A 63 13.691 9.135 -6.267 1.00 0.00 C ATOM 0 HA PRO A 63 14.400 7.485 -8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.942 9.258 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.001 7.509 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.590 8.679 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.627 7.269 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.396 10.162 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.152 8.739 -5.362 1.00 0.00 H new ATOM 890 N ASN A 64 14.227 10.612 -9.670 1.00 0.00 N ATOM 891 CA ASN A 64 14.442 11.550 -10.770 1.00 0.00 C ATOM 892 C ASN A 64 15.714 11.201 -11.537 1.00 0.00 C ATOM 893 O ASN A 64 15.750 11.274 -12.764 1.00 0.00 O ATOM 894 CB ASN A 64 14.549 12.981 -10.234 1.00 0.00 C ATOM 895 CG ASN A 64 13.355 13.379 -9.389 1.00 0.00 C ATOM 896 OD1 ASN A 64 13.320 13.104 -8.190 1.00 0.00 O ATOM 897 ND2 ASN A 64 12.381 14.037 -9.996 1.00 0.00 N ATOM 0 H ASN A 64 14.160 11.056 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 64 13.590 11.478 -11.446 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.458 13.075 -9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.643 13.672 -11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.561 14.337 -9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.450 14.245 -10.992 1.00 0.00 H new ATOM 904 N LYS A 65 16.751 10.810 -10.802 1.00 0.00 N ATOM 905 CA LYS A 65 18.021 10.440 -11.413 1.00 0.00 C ATOM 906 C LYS A 65 17.871 9.161 -12.217 1.00 0.00 C ATOM 907 O LYS A 65 18.254 9.102 -13.381 1.00 0.00 O ATOM 908 CB LYS A 65 19.117 10.243 -10.357 1.00 0.00 C ATOM 909 CG LYS A 65 19.685 11.530 -9.780 1.00 0.00 C ATOM 910 CD LYS A 65 18.739 12.191 -8.793 1.00 0.00 C ATOM 911 CE LYS A 65 19.358 13.445 -8.197 1.00 0.00 C ATOM 912 NZ LYS A 65 18.431 14.139 -7.267 1.00 0.00 N ATOM 0 H LYS A 65 16.736 10.742 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 65 18.313 11.258 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.713 9.643 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.931 9.670 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.631 11.315 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.901 12.224 -10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.805 12.446 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.492 11.490 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.272 13.180 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.642 14.125 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.945 14.886 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.650 14.563 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.048 13.455 -6.584 1.00 0.00 H new ATOM 926 N LEU A 66 17.284 8.144 -11.597 1.00 0.00 N ATOM 927 CA LEU A 66 17.188 6.828 -12.217 1.00 0.00 C ATOM 928 C LEU A 66 16.322 6.857 -13.472 1.00 0.00 C ATOM 929 O LEU A 66 16.484 6.025 -14.364 1.00 0.00 O ATOM 930 CB LEU A 66 16.664 5.790 -11.222 1.00 0.00 C ATOM 931 CG LEU A 66 17.600 5.468 -10.045 1.00 0.00 C ATOM 932 CD1 LEU A 66 19.056 5.728 -10.412 1.00 0.00 C ATOM 933 CD2 LEU A 66 17.219 6.258 -8.809 1.00 0.00 C ATOM 0 H LEU A 66 16.868 8.205 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 66 18.195 6.538 -12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.714 6.144 -10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.458 4.866 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 66 17.488 4.407 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.694 5.491 -9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.335 5.102 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 66 19.182 6.777 -10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.899 6.009 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.286 7.325 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.198 6.010 -8.519 1.00 0.00 H new ATOM 945 N GLN A 67 15.413 7.820 -13.539 1.00 0.00 N ATOM 946 CA GLN A 67 14.620 8.038 -14.744 1.00 0.00 C ATOM 947 C GLN A 67 15.525 8.434 -15.909 1.00 0.00 C ATOM 948 O GLN A 67 15.273 8.081 -17.061 1.00 0.00 O ATOM 949 CB GLN A 67 13.576 9.129 -14.508 1.00 0.00 C ATOM 950 CG GLN A 67 12.720 9.419 -15.730 1.00 0.00 C ATOM 951 CD GLN A 67 11.879 10.664 -15.567 1.00 0.00 C ATOM 952 OE1 GLN A 67 10.738 10.605 -15.108 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.436 11.805 -15.944 1.00 0.00 N ATOM 0 H GLN A 67 15.205 8.463 -12.775 1.00 0.00 H new ATOM 0 HA GLN A 67 14.108 7.108 -14.990 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.929 8.830 -13.683 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.081 10.045 -14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.364 9.532 -16.602 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.068 8.567 -15.923 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.384 11.810 -16.319 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.917 12.679 -15.859 1.00 0.00 H new ATOM 962 N ALA A 68 16.588 9.166 -15.598 1.00 0.00 N ATOM 963 CA ALA A 68 17.544 9.581 -16.611 1.00 0.00 C ATOM 964 C ALA A 68 18.402 8.400 -17.049 1.00 0.00 C ATOM 965 O ALA A 68 18.640 8.208 -18.243 1.00 0.00 O ATOM 966 CB ALA A 68 18.406 10.725 -16.098 1.00 0.00 C ATOM 0 H ALA A 68 16.807 9.483 -14.654 1.00 0.00 H new ATOM 0 HA ALA A 68 16.994 9.940 -17.481 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.115 11.021 -16.871 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.771 11.574 -15.844 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.950 10.401 -15.211 1.00 0.00 H new ATOM 972 N LEU A 69 18.856 7.600 -16.081 1.00 0.00 N ATOM 973 CA LEU A 69 19.572 6.371 -16.388 1.00 0.00 C ATOM 974 C LEU A 69 18.719 5.463 -17.261 1.00 0.00 C ATOM 975 O LEU A 69 19.228 4.804 -18.152 1.00 0.00 O ATOM 976 CB LEU A 69 19.962 5.621 -15.110 1.00 0.00 C ATOM 977 CG LEU A 69 21.137 6.197 -14.310 1.00 0.00 C ATOM 978 CD1 LEU A 69 22.365 6.374 -15.190 1.00 0.00 C ATOM 979 CD2 LEU A 69 20.768 7.505 -13.639 1.00 0.00 C ATOM 0 H LEU A 69 18.739 7.784 -15.085 1.00 0.00 H new ATOM 0 HA LEU A 69 20.480 6.646 -16.924 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.090 5.584 -14.457 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.203 4.592 -15.378 1.00 0.00 H new ATOM 0 HG LEU A 69 21.378 5.478 -13.527 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.182 6.784 -14.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.662 5.408 -15.598 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.132 7.057 -16.007 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.625 7.883 -13.082 1.00 0.00 H new ATOM 0 HD22 LEU A 69 20.478 8.233 -14.396 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.935 7.341 -12.956 1.00 0.00 H new ATOM 991 N ASN A 70 17.417 5.458 -17.001 1.00 0.00 N ATOM 992 CA ASN A 70 16.465 4.623 -17.739 1.00 0.00 C ATOM 993 C ASN A 70 16.599 4.846 -19.244 1.00 0.00 C ATOM 994 O ASN A 70 16.778 3.903 -20.015 1.00 0.00 O ATOM 995 CB ASN A 70 15.040 4.966 -17.292 1.00 0.00 C ATOM 996 CG ASN A 70 13.968 4.156 -17.990 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.565 4.469 -19.110 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.458 3.142 -17.312 1.00 0.00 N ATOM 0 H ASN A 70 16.988 6.031 -16.274 1.00 0.00 H new ATOM 0 HA ASN A 70 16.680 3.576 -17.527 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.959 4.808 -16.217 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.858 6.025 -17.473 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.703 2.587 -17.715 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.820 2.914 -16.386 1.00 0.00 H new ATOM 1005 N MET A 71 16.532 6.109 -19.644 1.00 0.00 N ATOM 1006 CA MET A 71 16.601 6.481 -21.050 1.00 0.00 C ATOM 1007 C MET A 71 17.987 6.220 -21.619 1.00 0.00 C ATOM 1008 O MET A 71 18.130 5.572 -22.653 1.00 0.00 O ATOM 1009 CB MET A 71 16.240 7.955 -21.217 1.00 0.00 C ATOM 1010 CG MET A 71 14.793 8.256 -20.882 1.00 0.00 C ATOM 1011 SD MET A 71 14.420 10.023 -20.907 1.00 0.00 S ATOM 1012 CE MET A 71 15.389 10.584 -19.510 1.00 0.00 C ATOM 0 H MET A 71 16.429 6.899 -19.007 1.00 0.00 H new ATOM 0 HA MET A 71 15.886 5.868 -21.599 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.887 8.556 -20.578 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.439 8.257 -22.245 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.146 7.743 -21.594 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.563 7.855 -19.895 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.119 11.612 -19.269 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.190 9.945 -18.649 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.449 10.537 -19.760 1.00 0.00 H new ATOM 1022 N ARG A 72 19.000 6.720 -20.925 1.00 0.00 N ATOM 1023 CA ARG A 72 20.386 6.580 -21.368 1.00 0.00 C ATOM 1024 C ARG A 72 20.795 5.116 -21.492 1.00 0.00 C ATOM 1025 O ARG A 72 21.471 4.733 -22.442 1.00 0.00 O ATOM 1026 CB ARG A 72 21.330 7.311 -20.414 1.00 0.00 C ATOM 1027 CG ARG A 72 21.306 8.821 -20.578 1.00 0.00 C ATOM 1028 CD ARG A 72 21.812 9.226 -21.951 1.00 0.00 C ATOM 1029 NE ARG A 72 21.839 10.679 -22.129 1.00 0.00 N ATOM 1030 CZ ARG A 72 22.821 11.338 -22.750 1.00 0.00 C ATOM 1031 NH1 ARG A 72 23.886 10.688 -23.206 1.00 0.00 N ATOM 1032 NH2 ARG A 72 22.745 12.654 -22.904 1.00 0.00 N ATOM 0 H ARG A 72 18.890 7.229 -20.048 1.00 0.00 H new ATOM 0 HA ARG A 72 20.459 7.031 -22.358 1.00 0.00 H new ATOM 0 HB2 ARG A 72 21.062 7.061 -19.388 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.346 6.952 -20.575 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.290 9.190 -20.437 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.923 9.284 -19.808 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.815 8.826 -22.098 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.176 8.781 -22.716 1.00 0.00 H new ATOM 0 HE ARG A 72 21.060 11.221 -21.756 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.958 9.678 -23.083 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.631 11.199 -23.679 1.00 0.00 H new ATOM 0 HH21 ARG A 72 21.936 13.163 -22.548 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.495 13.156 -23.378 1.00 0.00 H new ATOM 1046 N PHE A 73 20.378 4.311 -20.530 1.00 0.00 N ATOM 1047 CA PHE A 73 20.652 2.875 -20.530 1.00 0.00 C ATOM 1048 C PHE A 73 20.066 2.225 -21.781 1.00 0.00 C ATOM 1049 O PHE A 73 20.708 1.398 -22.427 1.00 0.00 O ATOM 1050 CB PHE A 73 20.061 2.257 -19.254 1.00 0.00 C ATOM 1051 CG PHE A 73 20.237 0.773 -19.098 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.490 0.187 -19.180 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.138 -0.030 -18.842 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.640 -1.178 -19.015 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.282 -1.392 -18.673 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.535 -1.968 -18.759 1.00 0.00 C ATOM 0 H PHE A 73 19.839 4.630 -19.724 1.00 0.00 H new ATOM 0 HA PHE A 73 21.728 2.701 -20.543 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.513 2.749 -18.393 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.995 2.481 -19.226 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.357 0.801 -19.374 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.156 0.415 -18.774 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.620 -1.626 -19.086 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.417 -2.007 -18.474 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.651 -3.034 -18.626 1.00 0.00 H new ATOM 1066 N ALA A 74 18.858 2.637 -22.135 1.00 0.00 N ATOM 1067 CA ALA A 74 18.176 2.098 -23.301 1.00 0.00 C ATOM 1068 C ALA A 74 18.815 2.572 -24.606 1.00 0.00 C ATOM 1069 O ALA A 74 19.019 1.785 -25.526 1.00 0.00 O ATOM 1070 CB ALA A 74 16.708 2.483 -23.274 1.00 0.00 C ATOM 0 H ALA A 74 18.328 3.346 -21.628 1.00 0.00 H new ATOM 0 HA ALA A 74 18.269 1.013 -23.261 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.208 2.074 -24.152 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.243 2.083 -22.373 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.617 3.569 -23.278 1.00 0.00 H new ATOM 1076 N SER A 75 19.131 3.859 -24.686 1.00 0.00 N ATOM 1077 CA SER A 75 19.663 4.429 -25.917 1.00 0.00 C ATOM 1078 C SER A 75 21.099 3.979 -26.178 1.00 0.00 C ATOM 1079 O SER A 75 21.493 3.790 -27.327 1.00 0.00 O ATOM 1080 CB SER A 75 19.576 5.956 -25.877 1.00 0.00 C ATOM 1081 OG SER A 75 20.142 6.477 -24.684 1.00 0.00 O ATOM 0 H SER A 75 19.029 4.523 -23.919 1.00 0.00 H new ATOM 0 HA SER A 75 19.052 4.061 -26.742 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.094 6.374 -26.740 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.533 6.264 -25.951 1.00 0.00 H new ATOM 0 HG SER A 75 20.605 5.761 -24.202 1.00 0.00 H new ATOM 1087 N SER A 76 21.871 3.793 -25.117 1.00 0.00 N ATOM 1088 CA SER A 76 23.259 3.371 -25.259 1.00 0.00 C ATOM 1089 C SER A 76 23.334 1.946 -25.794 1.00 0.00 C ATOM 1090 O SER A 76 24.073 1.669 -26.739 1.00 0.00 O ATOM 1091 CB SER A 76 23.993 3.487 -23.922 1.00 0.00 C ATOM 1092 OG SER A 76 23.264 2.858 -22.884 1.00 0.00 O ATOM 0 H SER A 76 21.563 3.926 -24.154 1.00 0.00 H new ATOM 0 HA SER A 76 23.748 4.030 -25.976 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.980 3.032 -24.005 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.146 4.538 -23.678 1.00 0.00 H new ATOM 0 HG SER A 76 22.785 3.536 -22.363 1.00 0.00 H new ATOM 1098 N MET A 77 22.549 1.047 -25.203 1.00 0.00 N ATOM 1099 CA MET A 77 22.491 -0.331 -25.680 1.00 0.00 C ATOM 1100 C MET A 77 21.911 -0.364 -27.091 1.00 0.00 C ATOM 1101 O MET A 77 22.198 -1.270 -27.869 1.00 0.00 O ATOM 1102 CB MET A 77 21.656 -1.214 -24.744 1.00 0.00 C ATOM 1103 CG MET A 77 20.162 -0.940 -24.807 1.00 0.00 C ATOM 1104 SD MET A 77 19.196 -2.042 -23.756 1.00 0.00 S ATOM 1105 CE MET A 77 19.780 -1.564 -22.138 1.00 0.00 C ATOM 0 H MET A 77 21.951 1.246 -24.401 1.00 0.00 H new ATOM 0 HA MET A 77 23.506 -0.729 -25.694 1.00 0.00 H new ATOM 0 HB2 MET A 77 21.834 -2.260 -24.993 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.999 -1.067 -23.720 1.00 0.00 H new ATOM 0 HG2 MET A 77 19.975 0.092 -24.510 1.00 0.00 H new ATOM 0 HG3 MET A 77 19.823 -1.041 -25.838 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.457 -2.301 -21.402 1.00 0.00 H new ATOM 0 HE2 MET A 77 20.869 -1.512 -22.145 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.371 -0.588 -21.877 1.00 0.00 H new ATOM 1115 N ALA A 78 21.108 0.645 -27.416 1.00 0.00 N ATOM 1116 CA ALA A 78 20.528 0.770 -28.744 1.00 0.00 C ATOM 1117 C ALA A 78 21.601 1.104 -29.769 1.00 0.00 C ATOM 1118 O ALA A 78 21.570 0.607 -30.888 1.00 0.00 O ATOM 1119 CB ALA A 78 19.439 1.829 -28.751 1.00 0.00 C ATOM 0 H ALA A 78 20.845 1.391 -26.772 1.00 0.00 H new ATOM 0 HA ALA A 78 20.082 -0.187 -29.014 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.016 1.909 -29.752 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.655 1.549 -28.047 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.863 2.789 -28.458 1.00 0.00 H new ATOM 1125 N GLU A 79 22.552 1.947 -29.375 1.00 0.00 N ATOM 1126 CA GLU A 79 23.687 2.283 -30.230 1.00 0.00 C ATOM 1127 C GLU A 79 24.527 1.042 -30.494 1.00 0.00 C ATOM 1128 O GLU A 79 24.991 0.809 -31.610 1.00 0.00 O ATOM 1129 CB GLU A 79 24.544 3.371 -29.576 1.00 0.00 C ATOM 1130 CG GLU A 79 23.793 4.669 -29.357 1.00 0.00 C ATOM 1131 CD GLU A 79 24.637 5.737 -28.690 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.558 6.274 -29.345 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.372 6.060 -27.512 1.00 0.00 O ATOM 0 H GLU A 79 22.559 2.411 -28.467 1.00 0.00 H new ATOM 0 HA GLU A 79 23.309 2.662 -31.179 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.914 3.006 -28.618 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.415 3.564 -30.202 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.437 5.042 -30.317 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.913 4.474 -28.744 1.00 0.00 H new ATOM 1140 N ILE A 80 24.699 0.244 -29.454 1.00 0.00 N ATOM 1141 CA ILE A 80 25.431 -1.014 -29.557 1.00 0.00 C ATOM 1142 C ILE A 80 24.651 -2.021 -30.402 1.00 0.00 C ATOM 1143 O ILE A 80 25.222 -2.766 -31.193 1.00 0.00 O ATOM 1144 CB ILE A 80 25.696 -1.617 -28.165 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.335 -0.573 -27.249 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.582 -2.846 -28.279 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.513 -1.049 -25.829 1.00 0.00 C ATOM 0 H ILE A 80 24.340 0.444 -28.521 1.00 0.00 H new ATOM 0 HA ILE A 80 26.386 -0.800 -30.037 1.00 0.00 H new ATOM 0 HB ILE A 80 24.745 -1.922 -27.729 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.307 -0.291 -27.654 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.718 0.325 -27.248 1.00 0.00 H new ATOM 0 HG21 ILE A 80 26.760 -3.260 -27.286 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.089 -3.593 -28.901 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.534 -2.568 -28.732 1.00 0.00 H new ATOM 0 HD11 ILE A 80 26.971 -0.258 -25.235 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.541 -1.303 -25.406 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.155 -1.930 -25.818 1.00 0.00 H new ATOM 1159 N ALA A 81 23.339 -2.037 -30.228 1.00 0.00 N ATOM 1160 CA ALA A 81 22.473 -2.895 -31.028 1.00 0.00 C ATOM 1161 C ALA A 81 22.418 -2.405 -32.472 1.00 0.00 C ATOM 1162 O ALA A 81 22.136 -3.171 -33.395 1.00 0.00 O ATOM 1163 CB ALA A 81 21.078 -2.950 -30.425 1.00 0.00 C ATOM 0 H ALA A 81 22.848 -1.466 -29.540 1.00 0.00 H new ATOM 0 HA ALA A 81 22.888 -3.903 -31.027 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.444 -3.594 -31.034 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.135 -3.349 -29.412 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.654 -1.946 -30.396 1.00 0.00 H new ATOM 1169 N ALA A 82 22.715 -1.125 -32.658 1.00 0.00 N ATOM 1170 CA ALA A 82 22.777 -0.525 -33.985 1.00 0.00 C ATOM 1171 C ALA A 82 24.067 -0.932 -34.693 1.00 0.00 C ATOM 1172 O ALA A 82 24.315 -0.553 -35.838 1.00 0.00 O ATOM 1173 CB ALA A 82 22.686 0.990 -33.879 1.00 0.00 C ATOM 0 H ALA A 82 22.919 -0.476 -31.898 1.00 0.00 H new ATOM 0 HA ALA A 82 21.933 -0.886 -34.572 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.733 1.428 -34.876 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.744 1.266 -33.406 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.516 1.363 -33.279 1.00 0.00 H new ATOM 1241 N SER A 89 20.325 -8.917 -36.709 1.00 0.00 N ATOM 1242 CA SER A 89 18.964 -8.415 -36.536 1.00 0.00 C ATOM 1243 C SER A 89 18.776 -7.685 -35.206 1.00 0.00 C ATOM 1244 O SER A 89 19.232 -8.141 -34.152 1.00 0.00 O ATOM 1245 CB SER A 89 17.967 -9.572 -36.641 1.00 0.00 C ATOM 1246 OG SER A 89 16.629 -9.104 -36.592 1.00 0.00 O ATOM 0 HA SER A 89 18.781 -7.692 -37.331 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.131 -10.113 -37.573 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.138 -10.277 -35.828 1.00 0.00 H new ATOM 0 HG SER A 89 16.014 -9.864 -36.663 1.00 0.00 H new ATOM 1252 N LEU A 90 18.086 -6.554 -35.272 1.00 0.00 N ATOM 1253 CA LEU A 90 17.800 -5.749 -34.094 1.00 0.00 C ATOM 1254 C LEU A 90 16.709 -6.405 -33.250 1.00 0.00 C ATOM 1255 O LEU A 90 16.677 -6.252 -32.028 1.00 0.00 O ATOM 1256 CB LEU A 90 17.377 -4.337 -34.514 1.00 0.00 C ATOM 1257 CG LEU A 90 16.912 -3.422 -33.379 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.063 -3.113 -32.433 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.321 -2.137 -33.942 1.00 0.00 C ATOM 0 H LEU A 90 17.711 -6.171 -36.140 1.00 0.00 H new ATOM 0 HA LEU A 90 18.704 -5.679 -33.489 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.217 -3.861 -35.020 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.571 -4.420 -35.243 1.00 0.00 H new ATOM 0 HG LEU A 90 16.137 -3.940 -32.814 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.712 -2.461 -31.633 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.441 -4.041 -32.005 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.862 -2.615 -32.982 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.995 -1.497 -33.122 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.076 -1.616 -34.531 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.468 -2.376 -34.577 1.00 0.00 H new ATOM 1271 N SER A 91 15.830 -7.152 -33.905 1.00 0.00 N ATOM 1272 CA SER A 91 14.742 -7.833 -33.218 1.00 0.00 C ATOM 1273 C SER A 91 15.287 -8.932 -32.307 1.00 0.00 C ATOM 1274 O SER A 91 14.752 -9.182 -31.224 1.00 0.00 O ATOM 1275 CB SER A 91 13.767 -8.413 -34.241 1.00 0.00 C ATOM 1276 OG SER A 91 13.312 -7.400 -35.124 1.00 0.00 O ATOM 0 H SER A 91 15.850 -7.302 -34.914 1.00 0.00 H new ATOM 0 HA SER A 91 14.211 -7.113 -32.596 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.255 -9.206 -34.808 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.918 -8.864 -33.728 1.00 0.00 H new ATOM 0 HG SER A 91 12.690 -7.788 -35.774 1.00 0.00 H new ATOM 1282 N THR A 92 16.362 -9.573 -32.743 1.00 0.00 N ATOM 1283 CA THR A 92 17.037 -10.565 -31.927 1.00 0.00 C ATOM 1284 C THR A 92 17.755 -9.882 -30.763 1.00 0.00 C ATOM 1285 O THR A 92 17.715 -10.349 -29.628 1.00 0.00 O ATOM 1286 CB THR A 92 18.054 -11.360 -32.766 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.470 -11.706 -34.027 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.491 -12.626 -32.044 1.00 0.00 C ATOM 0 H THR A 92 16.784 -9.422 -33.659 1.00 0.00 H new ATOM 0 HA THR A 92 16.289 -11.256 -31.538 1.00 0.00 H new ATOM 0 HB THR A 92 18.932 -10.734 -32.922 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.119 -12.210 -34.561 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.209 -13.167 -32.660 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.955 -12.361 -31.094 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.622 -13.258 -31.860 1.00 0.00 H new ATOM 1296 N LYS A 93 18.382 -8.750 -31.065 1.00 0.00 N ATOM 1297 CA LYS A 93 19.133 -7.980 -30.078 1.00 0.00 C ATOM 1298 C LYS A 93 18.231 -7.457 -28.960 1.00 0.00 C ATOM 1299 O LYS A 93 18.570 -7.558 -27.781 1.00 0.00 O ATOM 1300 CB LYS A 93 19.836 -6.814 -30.770 1.00 0.00 C ATOM 1301 CG LYS A 93 21.051 -7.234 -31.580 1.00 0.00 C ATOM 1302 CD LYS A 93 21.469 -6.149 -32.555 1.00 0.00 C ATOM 1303 CE LYS A 93 22.876 -6.375 -33.086 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.113 -5.632 -34.352 1.00 0.00 N ATOM 0 H LYS A 93 18.384 -8.340 -31.999 1.00 0.00 H new ATOM 0 HA LYS A 93 19.870 -8.641 -29.623 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.127 -6.311 -31.428 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.144 -6.088 -30.018 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.879 -7.459 -30.907 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.827 -8.150 -32.127 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.767 -6.120 -33.388 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.419 -5.178 -32.061 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.602 -6.059 -32.337 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.035 -7.440 -33.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.126 -5.657 -34.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.570 -6.074 -35.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.808 -4.644 -34.237 1.00 0.00 H new ATOM 1318 N THR A 94 17.084 -6.907 -29.335 1.00 0.00 N ATOM 1319 CA THR A 94 16.150 -6.345 -28.367 1.00 0.00 C ATOM 1320 C THR A 94 15.609 -7.418 -27.420 1.00 0.00 C ATOM 1321 O THR A 94 15.501 -7.200 -26.212 1.00 0.00 O ATOM 1322 CB THR A 94 14.985 -5.627 -29.080 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.570 -6.384 -30.227 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.394 -4.228 -29.517 1.00 0.00 C ATOM 0 H THR A 94 16.777 -6.838 -30.305 1.00 0.00 H new ATOM 0 HA THR A 94 16.699 -5.615 -27.772 1.00 0.00 H new ATOM 0 HB THR A 94 14.157 -5.544 -28.376 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.213 -6.254 -30.955 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.555 -3.743 -30.017 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.683 -3.644 -28.643 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.237 -4.294 -30.204 1.00 0.00 H new ATOM 1332 N SER A 95 15.295 -8.580 -27.973 1.00 0.00 N ATOM 1333 CA SER A 95 14.792 -9.688 -27.187 1.00 0.00 C ATOM 1334 C SER A 95 15.902 -10.295 -26.325 1.00 0.00 C ATOM 1335 O SER A 95 15.649 -10.806 -25.233 1.00 0.00 O ATOM 1336 CB SER A 95 14.212 -10.736 -28.129 1.00 0.00 C ATOM 1337 OG SER A 95 13.248 -10.157 -28.997 1.00 0.00 O ATOM 0 H SER A 95 15.382 -8.777 -28.970 1.00 0.00 H new ATOM 0 HA SER A 95 14.013 -9.328 -26.514 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.012 -11.186 -28.716 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.752 -11.537 -27.550 1.00 0.00 H new ATOM 0 HG SER A 95 13.698 -9.782 -29.783 1.00 0.00 H new ATOM 1343 N SER A 96 17.128 -10.216 -26.829 1.00 0.00 N ATOM 1344 CA SER A 96 18.302 -10.736 -26.140 1.00 0.00 C ATOM 1345 C SER A 96 18.503 -10.037 -24.794 1.00 0.00 C ATOM 1346 O SER A 96 18.549 -10.683 -23.740 1.00 0.00 O ATOM 1347 CB SER A 96 19.532 -10.537 -27.034 1.00 0.00 C ATOM 1348 OG SER A 96 20.723 -10.940 -26.390 1.00 0.00 O ATOM 0 H SER A 96 17.336 -9.788 -27.731 1.00 0.00 H new ATOM 0 HA SER A 96 18.158 -11.798 -25.942 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.407 -11.106 -27.955 1.00 0.00 H new ATOM 0 HB3 SER A 96 19.609 -9.487 -27.316 1.00 0.00 H new ATOM 0 HG SER A 96 21.484 -10.800 -26.992 1.00 0.00 H new ATOM 1354 N ILE A 97 18.585 -8.714 -24.843 1.00 0.00 N ATOM 1355 CA ILE A 97 18.857 -7.906 -23.661 1.00 0.00 C ATOM 1356 C ILE A 97 17.801 -8.113 -22.578 1.00 0.00 C ATOM 1357 O ILE A 97 18.127 -8.290 -21.404 1.00 0.00 O ATOM 1358 CB ILE A 97 18.931 -6.410 -24.031 1.00 0.00 C ATOM 1359 CG1 ILE A 97 20.043 -6.188 -25.060 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.160 -5.553 -22.788 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.081 -4.788 -25.633 1.00 0.00 C ATOM 0 H ILE A 97 18.465 -8.172 -25.699 1.00 0.00 H new ATOM 0 HA ILE A 97 19.819 -8.230 -23.265 1.00 0.00 H new ATOM 0 HB ILE A 97 17.980 -6.107 -24.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.004 -6.405 -24.594 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.917 -6.900 -25.876 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.209 -4.502 -23.074 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.338 -5.701 -22.088 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.097 -5.843 -22.313 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.895 -4.712 -26.353 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.135 -4.573 -26.130 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.240 -4.070 -24.829 1.00 0.00 H new ATOM 1373 N ALA A 98 16.539 -8.125 -22.980 1.00 0.00 N ATOM 1374 CA ALA A 98 15.441 -8.213 -22.028 1.00 0.00 C ATOM 1375 C ALA A 98 15.352 -9.592 -21.378 1.00 0.00 C ATOM 1376 O ALA A 98 14.783 -9.734 -20.295 1.00 0.00 O ATOM 1377 CB ALA A 98 14.133 -7.857 -22.705 1.00 0.00 C ATOM 0 H ALA A 98 16.250 -8.075 -23.957 1.00 0.00 H new ATOM 0 HA ALA A 98 15.639 -7.496 -21.231 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.319 -7.926 -21.983 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.189 -6.840 -23.092 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.949 -8.549 -23.527 1.00 0.00 H new ATOM 1383 N SER A 99 15.925 -10.601 -22.021 1.00 0.00 N ATOM 1384 CA SER A 99 15.900 -11.947 -21.484 1.00 0.00 C ATOM 1385 C SER A 99 17.004 -12.095 -20.446 1.00 0.00 C ATOM 1386 O SER A 99 16.851 -12.788 -19.443 1.00 0.00 O ATOM 1387 CB SER A 99 16.075 -12.966 -22.616 1.00 0.00 C ATOM 1388 OG SER A 99 15.867 -14.293 -22.161 1.00 0.00 O ATOM 0 H SER A 99 16.411 -10.509 -22.913 1.00 0.00 H new ATOM 0 HA SER A 99 14.939 -12.134 -21.005 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.373 -12.742 -23.419 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.078 -12.877 -23.034 1.00 0.00 H new ATOM 0 HG SER A 99 15.985 -14.917 -22.907 1.00 0.00 H new ATOM 1394 N ALA A 100 18.113 -11.416 -20.693 1.00 0.00 N ATOM 1395 CA ALA A 100 19.235 -11.436 -19.772 1.00 0.00 C ATOM 1396 C ALA A 100 18.968 -10.534 -18.576 1.00 0.00 C ATOM 1397 O ALA A 100 19.306 -10.881 -17.448 1.00 0.00 O ATOM 1398 CB ALA A 100 20.511 -11.013 -20.477 1.00 0.00 C ATOM 0 H ALA A 100 18.259 -10.844 -21.525 1.00 0.00 H new ATOM 0 HA ALA A 100 19.359 -12.457 -19.411 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.341 -11.034 -19.771 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.717 -11.698 -21.299 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.393 -10.002 -20.868 1.00 0.00 H new ATOM 1404 N MET A 101 18.357 -9.379 -18.828 1.00 0.00 N ATOM 1405 CA MET A 101 18.069 -8.415 -17.785 1.00 0.00 C ATOM 1406 C MET A 101 17.152 -9.002 -16.719 1.00 0.00 C ATOM 1407 O MET A 101 17.440 -8.914 -15.524 1.00 0.00 O ATOM 1408 CB MET A 101 17.410 -7.185 -18.385 1.00 0.00 C ATOM 1409 CG MET A 101 17.551 -5.982 -17.493 1.00 0.00 C ATOM 1410 SD MET A 101 16.396 -4.653 -17.875 1.00 0.00 S ATOM 1411 CE MET A 101 16.703 -4.444 -19.617 1.00 0.00 C ATOM 0 H MET A 101 18.052 -9.092 -19.758 1.00 0.00 H new ATOM 0 HA MET A 101 19.015 -8.143 -17.316 1.00 0.00 H new ATOM 0 HB2 MET A 101 17.856 -6.971 -19.356 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.353 -7.387 -18.558 1.00 0.00 H new ATOM 0 HG2 MET A 101 17.406 -6.290 -16.458 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.569 -5.600 -17.572 1.00 0.00 H new ATOM 0 HE1 MET A 101 16.143 -3.584 -19.985 1.00 0.00 H new ATOM 0 HE2 MET A 101 17.768 -4.280 -19.782 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.386 -5.339 -20.152 1.00 0.00 H new ATOM 1421 N SER A 102 16.050 -9.597 -17.158 1.00 0.00 N ATOM 1422 CA SER A 102 15.081 -10.191 -16.247 1.00 0.00 C ATOM 1423 C SER A 102 15.736 -11.283 -15.408 1.00 0.00 C ATOM 1424 O SER A 102 15.593 -11.317 -14.186 1.00 0.00 O ATOM 1425 CB SER A 102 13.906 -10.753 -17.049 1.00 0.00 C ATOM 1426 OG SER A 102 14.367 -11.446 -18.196 1.00 0.00 O ATOM 0 H SER A 102 15.805 -9.681 -18.144 1.00 0.00 H new ATOM 0 HA SER A 102 14.710 -9.424 -15.567 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.321 -11.426 -16.422 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.244 -9.941 -17.350 1.00 0.00 H new ATOM 0 HG SER A 102 14.414 -10.828 -18.955 1.00 0.00 H new ATOM 1432 N ASN A 103 16.478 -12.151 -16.076 1.00 0.00 N ATOM 1433 CA ASN A 103 17.225 -13.211 -15.410 1.00 0.00 C ATOM 1434 C ASN A 103 18.275 -12.633 -14.459 1.00 0.00 C ATOM 1435 O ASN A 103 18.529 -13.195 -13.398 1.00 0.00 O ATOM 1436 CB ASN A 103 17.872 -14.116 -16.469 1.00 0.00 C ATOM 1437 CG ASN A 103 18.958 -15.022 -15.922 1.00 0.00 C ATOM 1438 OD1 ASN A 103 18.681 -16.089 -15.375 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.207 -14.626 -16.115 1.00 0.00 N ATOM 0 H ASN A 103 16.581 -12.143 -17.091 1.00 0.00 H new ATOM 0 HA ASN A 103 16.540 -13.805 -14.806 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.098 -14.730 -16.930 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.295 -13.492 -17.256 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.982 -15.213 -15.806 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.394 -13.734 -16.573 1.00 0.00 H new ATOM 1446 N ALA A 104 18.864 -11.496 -14.828 1.00 0.00 N ATOM 1447 CA ALA A 104 19.858 -10.834 -13.986 1.00 0.00 C ATOM 1448 C ALA A 104 19.245 -10.380 -12.664 1.00 0.00 C ATOM 1449 O ALA A 104 19.870 -10.502 -11.609 1.00 0.00 O ATOM 1450 CB ALA A 104 20.482 -9.655 -14.715 1.00 0.00 C ATOM 0 H ALA A 104 18.669 -11.014 -15.706 1.00 0.00 H new ATOM 0 HA ALA A 104 20.642 -11.558 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.219 -9.177 -14.070 1.00 0.00 H new ATOM 0 HB2 ALA A 104 20.969 -10.006 -15.624 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.706 -8.935 -14.974 1.00 0.00 H new ATOM 1456 N PHE A 105 18.023 -9.858 -12.723 1.00 0.00 N ATOM 1457 CA PHE A 105 17.278 -9.522 -11.510 1.00 0.00 C ATOM 1458 C PHE A 105 17.093 -10.767 -10.647 1.00 0.00 C ATOM 1459 O PHE A 105 17.224 -10.727 -9.421 1.00 0.00 O ATOM 1460 CB PHE A 105 15.908 -8.934 -11.854 1.00 0.00 C ATOM 1461 CG PHE A 105 15.936 -7.497 -12.292 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.206 -6.489 -11.380 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.671 -7.151 -13.608 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.213 -5.164 -11.772 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.680 -5.828 -14.006 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.950 -4.833 -13.087 1.00 0.00 C ATOM 0 H PHE A 105 17.528 -9.659 -13.592 1.00 0.00 H new ATOM 0 HA PHE A 105 17.850 -8.776 -10.959 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.459 -9.533 -12.646 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.260 -9.022 -10.982 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.413 -6.742 -10.351 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.455 -7.924 -14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.424 -4.388 -11.051 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.476 -5.572 -15.035 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.955 -3.798 -13.396 1.00 0.00 H new ATOM 1476 N LEU A 106 16.807 -11.873 -11.315 1.00 0.00 N ATOM 1477 CA LEU A 106 16.623 -13.163 -10.665 1.00 0.00 C ATOM 1478 C LEU A 106 17.924 -13.655 -10.033 1.00 0.00 C ATOM 1479 O LEU A 106 17.904 -14.360 -9.026 1.00 0.00 O ATOM 1480 CB LEU A 106 16.115 -14.186 -11.687 1.00 0.00 C ATOM 1481 CG LEU A 106 14.595 -14.306 -11.821 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.941 -12.946 -12.016 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.245 -15.232 -12.975 1.00 0.00 C ATOM 0 H LEU A 106 16.695 -11.902 -12.328 1.00 0.00 H new ATOM 0 HA LEU A 106 15.888 -13.045 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.526 -13.929 -12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.514 -15.165 -11.420 1.00 0.00 H new ATOM 0 HG LEU A 106 14.208 -14.727 -10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.862 -13.071 -12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.161 -12.310 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.330 -12.482 -12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.161 -15.311 -13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.655 -14.830 -13.901 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.667 -16.220 -12.790 1.00 0.00 H new ATOM 1495 N GLN A 107 19.054 -13.279 -10.623 1.00 0.00 N ATOM 1496 CA GLN A 107 20.356 -13.715 -10.128 1.00 0.00 C ATOM 1497 C GLN A 107 20.781 -12.905 -8.908 1.00 0.00 C ATOM 1498 O GLN A 107 21.601 -13.357 -8.110 1.00 0.00 O ATOM 1499 CB GLN A 107 21.441 -13.575 -11.205 1.00 0.00 C ATOM 1500 CG GLN A 107 21.154 -14.297 -12.514 1.00 0.00 C ATOM 1501 CD GLN A 107 20.775 -15.749 -12.324 1.00 0.00 C ATOM 1502 OE1 GLN A 107 21.633 -16.624 -12.257 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.479 -16.015 -12.278 1.00 0.00 N ATOM 0 H GLN A 107 19.095 -12.674 -11.443 1.00 0.00 H new ATOM 0 HA GLN A 107 20.250 -14.765 -9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.585 -12.516 -11.417 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.382 -13.950 -10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.347 -13.783 -13.035 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.034 -14.239 -13.154 1.00 0.00 H new ATOM 0 HE21 GLN A 107 18.800 -15.256 -12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.159 -16.979 -12.183 1.00 0.00 H new ATOM 1512 N THR A 108 20.230 -11.710 -8.765 1.00 0.00 N ATOM 1513 CA THR A 108 20.678 -10.795 -7.735 1.00 0.00 C ATOM 1514 C THR A 108 19.716 -10.752 -6.559 1.00 0.00 C ATOM 1515 O THR A 108 20.094 -11.038 -5.422 1.00 0.00 O ATOM 1516 CB THR A 108 20.848 -9.380 -8.316 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.739 -9.072 -9.172 1.00 0.00 O ATOM 1518 CG2 THR A 108 22.147 -9.276 -9.100 1.00 0.00 C ATOM 0 H THR A 108 19.473 -11.354 -9.349 1.00 0.00 H new ATOM 0 HA THR A 108 21.639 -11.160 -7.371 1.00 0.00 H new ATOM 0 HB THR A 108 20.881 -8.667 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.850 -9.533 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.249 -8.268 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.988 -9.490 -8.441 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.136 -9.995 -9.919 1.00 0.00 H new ATOM 1526 N THR A 109 18.472 -10.411 -6.839 1.00 0.00 N ATOM 1527 CA THR A 109 17.493 -10.182 -5.793 1.00 0.00 C ATOM 1528 C THR A 109 16.499 -11.333 -5.710 1.00 0.00 C ATOM 1529 O THR A 109 16.059 -11.715 -4.624 1.00 0.00 O ATOM 1530 CB THR A 109 16.738 -8.865 -6.055 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.830 -9.026 -7.154 1.00 0.00 O ATOM 1532 CG2 THR A 109 17.721 -7.754 -6.386 1.00 0.00 C ATOM 0 H THR A 109 18.115 -10.286 -7.786 1.00 0.00 H new ATOM 0 HA THR A 109 18.024 -10.115 -4.844 1.00 0.00 H new ATOM 0 HB THR A 109 16.181 -8.604 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 109 16.271 -9.525 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 109 17.176 -6.828 -6.569 1.00 0.00 H new ATOM 0 HG22 THR A 109 18.405 -7.613 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 109 18.288 -8.023 -7.277 1.00 0.00 H new ATOM 1540 N GLY A 110 16.157 -11.883 -6.866 1.00 0.00 N ATOM 1541 CA GLY A 110 15.153 -12.921 -6.929 1.00 0.00 C ATOM 1542 C GLY A 110 13.847 -12.382 -7.469 1.00 0.00 C ATOM 1543 O GLY A 110 12.933 -13.142 -7.790 1.00 0.00 O ATOM 0 H GLY A 110 16.561 -11.625 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.505 -13.734 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.994 -13.339 -5.935 1.00 0.00 H new ATOM 1547 N VAL A 111 13.767 -11.061 -7.576 1.00 0.00 N ATOM 1548 CA VAL A 111 12.575 -10.400 -8.082 1.00 0.00 C ATOM 1549 C VAL A 111 12.904 -9.671 -9.372 1.00 0.00 C ATOM 1550 O VAL A 111 13.975 -9.079 -9.502 1.00 0.00 O ATOM 1551 CB VAL A 111 11.998 -9.379 -7.079 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.565 -9.017 -7.442 1.00 0.00 C ATOM 1553 CG2 VAL A 111 12.082 -9.902 -5.654 1.00 0.00 C ATOM 0 H VAL A 111 14.521 -10.425 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 111 11.827 -11.175 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 111 12.602 -8.474 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.178 -8.296 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.542 -8.580 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.947 -9.915 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.668 -9.161 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.514 -10.829 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 111 13.124 -10.091 -5.397 1.00 0.00 H new ATOM 1563 N VAL A 112 11.983 -9.708 -10.312 1.00 0.00 N ATOM 1564 CA VAL A 112 12.200 -9.087 -11.602 1.00 0.00 C ATOM 1565 C VAL A 112 11.304 -7.865 -11.779 1.00 0.00 C ATOM 1566 O VAL A 112 10.113 -7.901 -11.470 1.00 0.00 O ATOM 1567 CB VAL A 112 11.978 -10.092 -12.755 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.575 -10.679 -12.714 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.261 -9.445 -14.101 1.00 0.00 C ATOM 0 H VAL A 112 11.076 -10.162 -10.207 1.00 0.00 H new ATOM 0 HA VAL A 112 13.239 -8.759 -11.636 1.00 0.00 H new ATOM 0 HB VAL A 112 12.683 -10.913 -12.621 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.450 -11.382 -13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.426 -11.199 -11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.842 -9.877 -12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.098 -10.173 -14.896 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.593 -8.595 -14.244 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.295 -9.102 -14.130 1.00 0.00 H new ATOM 1579 N ASN A 113 11.891 -6.775 -12.252 1.00 0.00 N ATOM 1580 CA ASN A 113 11.140 -5.556 -12.500 1.00 0.00 C ATOM 1581 C ASN A 113 10.740 -5.481 -13.968 1.00 0.00 C ATOM 1582 O ASN A 113 11.566 -5.194 -14.830 1.00 0.00 O ATOM 1583 CB ASN A 113 11.964 -4.322 -12.129 1.00 0.00 C ATOM 1584 CG ASN A 113 11.146 -3.046 -12.202 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.944 -2.481 -13.275 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.693 -2.564 -11.052 1.00 0.00 N ATOM 0 H ASN A 113 12.885 -6.711 -12.471 1.00 0.00 H new ATOM 0 HA ASN A 113 10.245 -5.575 -11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.360 -4.441 -11.120 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.819 -4.243 -12.800 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.157 -1.696 -11.038 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.881 -3.061 -10.181 1.00 0.00 H new ATOM 1593 N GLN A 114 9.477 -5.760 -14.244 1.00 0.00 N ATOM 1594 CA GLN A 114 8.968 -5.749 -15.610 1.00 0.00 C ATOM 1595 C GLN A 114 8.781 -4.320 -16.161 1.00 0.00 C ATOM 1596 O GLN A 114 9.195 -4.050 -17.291 1.00 0.00 O ATOM 1597 CB GLN A 114 7.652 -6.531 -15.692 1.00 0.00 C ATOM 1598 CG GLN A 114 7.117 -6.685 -17.108 1.00 0.00 C ATOM 1599 CD GLN A 114 8.086 -7.408 -18.028 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.076 -8.634 -18.122 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.922 -6.650 -18.722 1.00 0.00 N ATOM 0 H GLN A 114 8.780 -5.998 -13.538 1.00 0.00 H new ATOM 0 HA GLN A 114 9.717 -6.234 -16.236 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.801 -7.521 -15.260 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.902 -6.027 -15.083 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.175 -7.232 -17.078 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.900 -5.699 -17.519 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.899 -5.636 -18.616 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.589 -7.081 -19.363 1.00 0.00 H new ATOM 1610 N PRO A 115 8.149 -3.390 -15.397 1.00 0.00 N ATOM 1611 CA PRO A 115 7.871 -2.020 -15.859 1.00 0.00 C ATOM 1612 C PRO A 115 9.061 -1.330 -16.532 1.00 0.00 C ATOM 1613 O PRO A 115 8.919 -0.788 -17.627 1.00 0.00 O ATOM 1614 CB PRO A 115 7.471 -1.262 -14.580 1.00 0.00 C ATOM 1615 CG PRO A 115 7.682 -2.215 -13.450 1.00 0.00 C ATOM 1616 CD PRO A 115 7.613 -3.590 -14.042 1.00 0.00 C ATOM 0 HA PRO A 115 7.100 -2.034 -16.629 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.078 -0.366 -14.452 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.431 -0.939 -14.628 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.647 -2.045 -12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.919 -2.083 -12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.208 -4.305 -13.474 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.592 -3.970 -14.063 1.00 0.00 H new ATOM 1624 N PHE A 116 10.234 -1.363 -15.905 1.00 0.00 N ATOM 1625 CA PHE A 116 11.381 -0.645 -16.445 1.00 0.00 C ATOM 1626 C PHE A 116 11.864 -1.297 -17.729 1.00 0.00 C ATOM 1627 O PHE A 116 12.280 -0.613 -18.661 1.00 0.00 O ATOM 1628 CB PHE A 116 12.528 -0.561 -15.431 1.00 0.00 C ATOM 1629 CG PHE A 116 12.308 0.448 -14.336 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.953 1.753 -14.640 1.00 0.00 C ATOM 1631 CD2 PHE A 116 12.469 0.097 -13.006 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.761 2.686 -13.639 1.00 0.00 C ATOM 1633 CE2 PHE A 116 12.277 1.024 -11.999 1.00 0.00 C ATOM 1634 CZ PHE A 116 11.924 2.320 -12.316 1.00 0.00 C ATOM 0 H PHE A 116 10.413 -1.870 -15.038 1.00 0.00 H new ATOM 0 HA PHE A 116 11.054 0.372 -16.664 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.674 -1.543 -14.981 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.448 -0.313 -15.960 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.825 2.044 -15.672 1.00 0.00 H new ATOM 0 HD2 PHE A 116 12.748 -0.915 -12.752 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.484 3.699 -13.890 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.403 0.735 -10.966 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.775 3.047 -11.532 1.00 0.00 H new ATOM 1644 N ILE A 117 11.776 -2.619 -17.791 1.00 0.00 N ATOM 1645 CA ILE A 117 12.213 -3.342 -18.971 1.00 0.00 C ATOM 1646 C ILE A 117 11.362 -2.954 -20.176 1.00 0.00 C ATOM 1647 O ILE A 117 11.862 -2.850 -21.300 1.00 0.00 O ATOM 1648 CB ILE A 117 12.174 -4.873 -18.771 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.118 -5.271 -17.631 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.544 -5.597 -20.062 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.483 -6.742 -17.617 1.00 0.00 C ATOM 0 H ILE A 117 11.408 -3.206 -17.042 1.00 0.00 H new ATOM 0 HA ILE A 117 13.251 -3.062 -19.150 1.00 0.00 H new ATOM 0 HB ILE A 117 11.159 -5.168 -18.505 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.032 -4.681 -17.707 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.651 -5.014 -16.680 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.510 -6.674 -19.898 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.837 -5.327 -20.846 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.550 -5.308 -20.366 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.153 -6.943 -16.781 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.578 -7.340 -17.508 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.980 -7.002 -18.551 1.00 0.00 H new ATOM 1663 N ASN A 118 10.080 -2.711 -19.929 1.00 0.00 N ATOM 1664 CA ASN A 118 9.167 -2.272 -20.980 1.00 0.00 C ATOM 1665 C ASN A 118 9.625 -0.938 -21.542 1.00 0.00 C ATOM 1666 O ASN A 118 9.708 -0.755 -22.756 1.00 0.00 O ATOM 1667 CB ASN A 118 7.737 -2.132 -20.446 1.00 0.00 C ATOM 1668 CG ASN A 118 7.145 -3.447 -19.980 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.501 -4.516 -20.477 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.230 -3.376 -19.025 1.00 0.00 N ATOM 0 H ASN A 118 9.648 -2.810 -19.010 1.00 0.00 H new ATOM 0 HA ASN A 118 9.174 -3.026 -21.767 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.733 -1.424 -19.617 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.103 -1.712 -21.227 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.792 -4.228 -18.674 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.964 -2.470 -18.640 1.00 0.00 H new ATOM 1677 N GLU A 119 9.951 -0.022 -20.642 1.00 0.00 N ATOM 1678 CA GLU A 119 10.383 1.309 -21.029 1.00 0.00 C ATOM 1679 C GLU A 119 11.697 1.248 -21.804 1.00 0.00 C ATOM 1680 O GLU A 119 11.817 1.849 -22.872 1.00 0.00 O ATOM 1681 CB GLU A 119 10.528 2.198 -19.796 1.00 0.00 C ATOM 1682 CG GLU A 119 9.281 2.216 -18.927 1.00 0.00 C ATOM 1683 CD GLU A 119 9.362 3.218 -17.796 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.469 3.438 -17.265 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.314 3.804 -17.445 1.00 0.00 O ATOM 0 H GLU A 119 9.924 -0.179 -19.635 1.00 0.00 H new ATOM 0 HA GLU A 119 9.624 1.741 -21.682 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.373 1.851 -19.202 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.758 3.215 -20.113 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.416 2.447 -19.548 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.120 1.221 -18.512 1.00 0.00 H new ATOM 1692 N ILE A 120 12.673 0.509 -21.272 1.00 0.00 N ATOM 1693 CA ILE A 120 13.951 0.331 -21.948 1.00 0.00 C ATOM 1694 C ILE A 120 13.766 -0.255 -23.350 1.00 0.00 C ATOM 1695 O ILE A 120 14.212 0.339 -24.327 1.00 0.00 O ATOM 1696 CB ILE A 120 14.926 -0.557 -21.118 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.725 0.289 -20.117 1.00 0.00 C ATOM 1698 CG2 ILE A 120 15.886 -1.327 -22.017 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.917 0.849 -18.972 1.00 0.00 C ATOM 0 H ILE A 120 12.599 0.027 -20.376 1.00 0.00 H new ATOM 0 HA ILE A 120 14.395 1.322 -22.044 1.00 0.00 H new ATOM 0 HB ILE A 120 14.315 -1.274 -20.570 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.531 -0.321 -19.710 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.191 1.116 -20.653 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.551 -1.935 -21.403 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.318 -1.973 -22.687 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.477 -0.624 -22.605 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.567 1.431 -18.319 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.127 1.490 -19.363 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.473 0.030 -18.406 1.00 0.00 H new ATOM 1711 N THR A 121 13.074 -1.388 -23.452 1.00 0.00 N ATOM 1712 CA THR A 121 12.967 -2.104 -24.724 1.00 0.00 C ATOM 1713 C THR A 121 12.345 -1.246 -25.825 1.00 0.00 C ATOM 1714 O THR A 121 12.791 -1.286 -26.973 1.00 0.00 O ATOM 1715 CB THR A 121 12.167 -3.413 -24.577 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.961 -3.181 -23.836 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.001 -4.478 -23.882 1.00 0.00 C ATOM 0 H THR A 121 12.581 -1.829 -22.675 1.00 0.00 H new ATOM 0 HA THR A 121 13.989 -2.345 -25.016 1.00 0.00 H new ATOM 0 HB THR A 121 11.909 -3.766 -25.575 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.170 -3.127 -22.880 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.417 -5.394 -23.788 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.898 -4.678 -24.468 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.286 -4.127 -22.890 1.00 0.00 H new ATOM 1725 N GLN A 122 11.329 -0.462 -25.477 1.00 0.00 N ATOM 1726 CA GLN A 122 10.680 0.405 -26.454 1.00 0.00 C ATOM 1727 C GLN A 122 11.628 1.511 -26.910 1.00 0.00 C ATOM 1728 O GLN A 122 11.689 1.841 -28.098 1.00 0.00 O ATOM 1729 CB GLN A 122 9.395 1.004 -25.880 1.00 0.00 C ATOM 1730 CG GLN A 122 8.320 -0.030 -25.577 1.00 0.00 C ATOM 1731 CD GLN A 122 7.992 -0.900 -26.775 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.141 -0.553 -27.594 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.650 -2.045 -26.880 1.00 0.00 N ATOM 0 H GLN A 122 10.941 -0.409 -24.535 1.00 0.00 H new ATOM 0 HA GLN A 122 10.418 -0.201 -27.321 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.634 1.545 -24.965 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.997 1.733 -26.586 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.652 -0.662 -24.753 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.415 0.479 -25.244 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.348 -2.298 -26.181 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.458 -2.674 -27.660 1.00 0.00 H new ATOM 1742 N LEU A 123 12.383 2.063 -25.966 1.00 0.00 N ATOM 1743 CA LEU A 123 13.357 3.098 -26.279 1.00 0.00 C ATOM 1744 C LEU A 123 14.481 2.527 -27.133 1.00 0.00 C ATOM 1745 O LEU A 123 14.942 3.178 -28.065 1.00 0.00 O ATOM 1746 CB LEU A 123 13.922 3.714 -24.995 1.00 0.00 C ATOM 1747 CG LEU A 123 12.900 4.420 -24.097 1.00 0.00 C ATOM 1748 CD1 LEU A 123 13.576 4.956 -22.844 1.00 0.00 C ATOM 1749 CD2 LEU A 123 12.202 5.542 -24.854 1.00 0.00 C ATOM 0 H LEU A 123 12.338 1.810 -24.979 1.00 0.00 H new ATOM 0 HA LEU A 123 12.855 3.883 -26.844 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.405 2.926 -24.417 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.697 4.431 -25.267 1.00 0.00 H new ATOM 0 HG LEU A 123 12.145 3.693 -23.797 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.837 5.455 -22.217 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.024 4.131 -22.291 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.352 5.668 -23.125 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.481 6.030 -24.198 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.941 6.271 -25.187 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.684 5.129 -25.720 1.00 0.00 H new ATOM 1761 N VAL A 124 14.904 1.305 -26.821 1.00 0.00 N ATOM 1762 CA VAL A 124 15.920 0.623 -27.619 1.00 0.00 C ATOM 1763 C VAL A 124 15.477 0.516 -29.069 1.00 0.00 C ATOM 1764 O VAL A 124 16.195 0.918 -29.979 1.00 0.00 O ATOM 1765 CB VAL A 124 16.219 -0.798 -27.096 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.292 -1.471 -27.941 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.652 -0.760 -25.645 1.00 0.00 C ATOM 0 H VAL A 124 14.561 0.768 -26.025 1.00 0.00 H new ATOM 0 HA VAL A 124 16.827 1.222 -27.540 1.00 0.00 H new ATOM 0 HB VAL A 124 15.300 -1.379 -27.170 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.486 -2.471 -27.554 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.951 -1.542 -28.974 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.209 -0.882 -27.901 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.857 -1.773 -25.300 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.554 -0.155 -25.550 1.00 0.00 H new ATOM 0 HG23 VAL A 124 15.857 -0.324 -25.039 1.00 0.00 H new ATOM 1777 N SER A 125 14.275 -0.006 -29.263 1.00 0.00 N ATOM 1778 CA SER A 125 13.733 -0.235 -30.592 1.00 0.00 C ATOM 1779 C SER A 125 13.697 1.060 -31.404 1.00 0.00 C ATOM 1780 O SER A 125 13.989 1.060 -32.600 1.00 0.00 O ATOM 1781 CB SER A 125 12.333 -0.834 -30.467 1.00 0.00 C ATOM 1782 OG SER A 125 11.858 -1.324 -31.712 1.00 0.00 O ATOM 0 H SER A 125 13.650 -0.282 -28.505 1.00 0.00 H new ATOM 0 HA SER A 125 14.380 -0.934 -31.123 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.348 -1.645 -29.739 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.646 -0.077 -30.088 1.00 0.00 H new ATOM 0 HG SER A 125 10.961 -1.701 -31.594 1.00 0.00 H new ATOM 1788 N MET A 126 13.362 2.160 -30.743 1.00 0.00 N ATOM 1789 CA MET A 126 13.269 3.452 -31.403 1.00 0.00 C ATOM 1790 C MET A 126 14.652 4.079 -31.612 1.00 0.00 C ATOM 1791 O MET A 126 15.014 4.440 -32.732 1.00 0.00 O ATOM 1792 CB MET A 126 12.384 4.391 -30.585 1.00 0.00 C ATOM 1793 CG MET A 126 12.249 5.777 -31.189 1.00 0.00 C ATOM 1794 SD MET A 126 11.204 6.868 -30.209 1.00 0.00 S ATOM 1795 CE MET A 126 12.107 6.892 -28.664 1.00 0.00 C ATOM 0 H MET A 126 13.150 2.181 -29.746 1.00 0.00 H new ATOM 0 HA MET A 126 12.823 3.297 -32.386 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.393 3.949 -30.486 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.795 4.480 -29.579 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.239 6.223 -31.289 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.835 5.692 -32.194 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.839 7.786 -28.100 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.855 6.006 -28.081 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.178 6.899 -28.868 1.00 0.00 H new ATOM 1805 N PHE A 127 15.425 4.188 -30.535 1.00 0.00 N ATOM 1806 CA PHE A 127 16.718 4.871 -30.577 1.00 0.00 C ATOM 1807 C PHE A 127 17.729 4.135 -31.457 1.00 0.00 C ATOM 1808 O PHE A 127 18.599 4.762 -32.060 1.00 0.00 O ATOM 1809 CB PHE A 127 17.277 5.055 -29.161 1.00 0.00 C ATOM 1810 CG PHE A 127 16.614 6.158 -28.384 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.518 7.438 -28.909 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.092 5.919 -27.122 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.914 8.454 -28.193 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.488 6.931 -26.401 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.400 8.200 -26.937 1.00 0.00 C ATOM 0 H PHE A 127 15.179 3.812 -29.619 1.00 0.00 H new ATOM 0 HA PHE A 127 16.550 5.851 -31.023 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.166 4.120 -28.612 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.345 5.261 -29.226 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.920 7.643 -29.890 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.158 4.928 -26.697 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.844 9.446 -28.615 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.085 6.729 -25.419 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.930 8.993 -26.375 1.00 0.00 H new ATOM 1825 N ALA A 128 17.602 2.816 -31.542 1.00 0.00 N ATOM 1826 CA ALA A 128 18.506 2.009 -32.360 1.00 0.00 C ATOM 1827 C ALA A 128 18.422 2.407 -33.826 1.00 0.00 C ATOM 1828 O ALA A 128 19.437 2.524 -34.510 1.00 0.00 O ATOM 1829 CB ALA A 128 18.180 0.533 -32.217 1.00 0.00 C ATOM 0 H ALA A 128 16.883 2.281 -31.056 1.00 0.00 H new ATOM 0 HA ALA A 128 19.521 2.190 -32.006 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.863 -0.052 -32.833 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.288 0.236 -31.174 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.155 0.354 -32.541 1.00 0.00 H new ATOM 1835 N GLN A 129 17.202 2.624 -34.296 1.00 0.00 N ATOM 1836 CA GLN A 129 16.960 2.953 -35.693 1.00 0.00 C ATOM 1837 C GLN A 129 17.574 4.302 -36.054 1.00 0.00 C ATOM 1838 O GLN A 129 17.980 4.526 -37.194 1.00 0.00 O ATOM 1839 CB GLN A 129 15.458 2.963 -35.963 1.00 0.00 C ATOM 1840 CG GLN A 129 14.815 1.592 -35.838 1.00 0.00 C ATOM 1841 CD GLN A 129 15.153 0.689 -37.009 1.00 0.00 C ATOM 1842 OE1 GLN A 129 14.451 0.678 -38.020 1.00 0.00 O ATOM 1843 NE2 GLN A 129 16.221 -0.080 -36.880 1.00 0.00 N ATOM 0 H GLN A 129 16.358 2.578 -33.725 1.00 0.00 H new ATOM 0 HA GLN A 129 17.434 2.195 -36.316 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.975 3.648 -35.266 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.279 3.350 -36.966 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.145 1.121 -34.912 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.733 1.705 -35.770 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.777 -0.041 -36.026 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.489 -0.712 -37.635 1.00 0.00 H new