USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=40 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 121 THR OG1 : rot -86:sc= 1.65 USER MOD Set 1.2: A 122 GLN : amide:sc= 0.389 K(o=2,f=1.1) USER MOD Set 2.1: A 114 GLN : amide:sc= 0.487 K(o=0.88,f=-0.082) USER MOD Set 2.2: A 118 ASN : amide:sc= 0.396 K(o=0.88,f=-2.5!) USER MOD Set 3.1: A 103 ASN : amide:sc= 0.578 K(o=1.2,f=-1.8) USER MOD Set 3.2: A 107 GLN : amide:sc= 0.653 K(o=1.2,f=-0.85) USER MOD Set 4.1: A 94 THR OG1 : rot 180:sc= 0.00123 USER MOD Set 4.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 89 SER OG : rot -144:sc= 1.1 USER MOD Set 5.2: A 92 THR OG1 : rot 180:sc= 0.95 USER MOD Set 6.1: A 30 MET CE :methyl 164:sc= -0.158 (180deg=-0.025) USER MOD Set 6.2: A 99 SER OG : rot -97:sc= 1.24 USER MOD Single : A 8 THR OG1 : rot 15:sc= 0.53 USER MOD Single : A 11 THR OG1 : rot -107:sc= 1.33 USER MOD Single : A 12 ASN : amide:sc= -1.08! C(o=-1.1!,f=-12!) USER MOD Single : A 18 ASN : amide:sc= 1.13 K(o=1.1,f=-0.042) USER MOD Single : A 20 MET CE :methyl -146:sc= -0.123 (180deg=-1.93) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.07) USER MOD Single : A 22 SER OG : rot 82:sc= 1.05 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.519 (180deg=-0.831) USER MOD Single : A 25 GLN : amide:sc= -0.738 K(o=-0.74,f=-2.4!) USER MOD Single : A 28 SER OG : rot -95:sc= 1.22 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00898 USER MOD Single : A 36 SER OG : rot 180:sc=0.000342 USER MOD Single : A 37 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.043) USER MOD Single : A 41 MET CE :methyl -141:sc= -0.177 (180deg=-1.95) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 77:sc= 1.31 USER MOD Single : A 46 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.16) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -162:sc= -0.0738 (180deg=-0.539) USER MOD Single : A 50 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.85) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.943 X(o=-0.94,f=-1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc=-0.00309 F(o=-1,f=-0.0031) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -1.01 (180deg=-2.19!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.45 K(o=-1.4,f=-6.5!) USER MOD Single : A 71 MET CE :methyl -171:sc= -1.71 (180deg=-2.15) USER MOD Single : A 75 SER OG : rot -85:sc= 1.1 USER MOD Single : A 76 SER OG : rot 98:sc= 1.25 USER MOD Single : A 77 MET CE :methyl -171:sc= -0.714 (180deg=-1.02) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= 2.53 (180deg=-0.0209) USER MOD Single : A 96 SER OG : rot -141:sc= 0.0198 USER MOD Single : A 101 MET CE :methyl -174:sc= -0.227 (180deg=-0.406) USER MOD Single : A 102 SER OG : rot 180:sc= -0.271 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 109 THR OG1 : rot -50:sc= 0.908 USER MOD Single : A 113 ASN : amide:sc= -0.727 K(o=-0.73,f=-7.8!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -178:sc= -0.75 (180deg=-0.779) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.533 -0.868 -7.140 1.00 0.00 N ATOM 82 CA THR A 8 15.171 -0.359 -8.342 1.00 0.00 C ATOM 83 C THR A 8 16.648 -0.753 -8.334 1.00 0.00 C ATOM 84 O THR A 8 17.296 -0.684 -7.294 1.00 0.00 O ATOM 85 CB THR A 8 15.051 1.175 -8.415 1.00 0.00 C ATOM 86 OG1 THR A 8 13.819 1.592 -7.816 1.00 0.00 O ATOM 87 CG2 THR A 8 15.101 1.666 -9.854 1.00 0.00 C ATOM 0 HA THR A 8 14.674 -0.788 -9.212 1.00 0.00 H new ATOM 0 HB THR A 8 15.894 1.605 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.441 0.852 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.014 2.752 -9.871 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.048 1.371 -10.306 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.277 1.227 -10.417 1.00 0.00 H new ATOM 95 N PRO A 9 17.195 -1.179 -9.482 1.00 0.00 N ATOM 96 CA PRO A 9 18.588 -1.641 -9.578 1.00 0.00 C ATOM 97 C PRO A 9 19.615 -0.545 -9.279 1.00 0.00 C ATOM 98 O PRO A 9 20.760 -0.839 -8.944 1.00 0.00 O ATOM 99 CB PRO A 9 18.714 -2.102 -11.036 1.00 0.00 C ATOM 100 CG PRO A 9 17.618 -1.400 -11.760 1.00 0.00 C ATOM 101 CD PRO A 9 16.497 -1.263 -10.771 1.00 0.00 C ATOM 0 HA PRO A 9 18.795 -2.418 -8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.689 -1.842 -11.449 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.611 -3.184 -11.118 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.947 -0.424 -12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.301 -1.968 -12.635 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.897 -0.373 -10.963 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.821 -2.117 -10.808 1.00 0.00 H new ATOM 109 N TRP A 10 19.201 0.714 -9.380 1.00 0.00 N ATOM 110 CA TRP A 10 20.130 1.834 -9.219 1.00 0.00 C ATOM 111 C TRP A 10 20.187 2.314 -7.767 1.00 0.00 C ATOM 112 O TRP A 10 20.808 3.332 -7.477 1.00 0.00 O ATOM 113 CB TRP A 10 19.731 3.018 -10.111 1.00 0.00 C ATOM 114 CG TRP A 10 19.413 2.676 -11.543 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.464 3.284 -12.317 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.026 1.675 -12.377 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.444 2.724 -13.571 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.388 1.736 -13.633 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.042 0.731 -12.189 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.738 0.899 -14.689 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.386 -0.098 -13.240 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.733 -0.011 -14.474 1.00 0.00 C ATOM 0 H TRP A 10 18.237 0.986 -9.571 1.00 0.00 H new ATOM 0 HA TRP A 10 21.113 1.467 -9.515 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.861 3.504 -9.671 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.542 3.746 -10.102 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.822 4.089 -11.990 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.825 3.000 -14.333 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.549 0.652 -11.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.240 0.967 -15.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.173 -0.826 -13.106 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.022 -0.677 -15.273 1.00 0.00 H new ATOM 133 N THR A 11 19.537 1.588 -6.865 1.00 0.00 N ATOM 134 CA THR A 11 19.490 1.980 -5.467 1.00 0.00 C ATOM 135 C THR A 11 20.845 1.799 -4.791 1.00 0.00 C ATOM 136 O THR A 11 21.458 2.759 -4.327 1.00 0.00 O ATOM 137 CB THR A 11 18.429 1.162 -4.714 1.00 0.00 C ATOM 138 OG1 THR A 11 18.562 -0.231 -5.042 1.00 0.00 O ATOM 139 CG2 THR A 11 17.025 1.645 -5.049 1.00 0.00 C ATOM 0 H THR A 11 19.036 0.726 -7.079 1.00 0.00 H new ATOM 0 HA THR A 11 19.225 3.037 -5.434 1.00 0.00 H new ATOM 0 HB THR A 11 18.588 1.298 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.821 -0.502 -5.624 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.295 1.048 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.923 2.693 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.850 1.540 -6.120 1.00 0.00 H new ATOM 147 N ASN A 12 21.302 0.560 -4.737 1.00 0.00 N ATOM 148 CA ASN A 12 22.594 0.248 -4.155 1.00 0.00 C ATOM 149 C ASN A 12 23.603 -0.013 -5.252 1.00 0.00 C ATOM 150 O ASN A 12 23.354 -0.778 -6.184 1.00 0.00 O ATOM 151 CB ASN A 12 22.467 -0.945 -3.200 1.00 0.00 C ATOM 152 CG ASN A 12 23.776 -1.631 -2.816 1.00 0.00 C ATOM 153 OD1 ASN A 12 24.835 -1.018 -2.732 1.00 0.00 O ATOM 154 ND2 ASN A 12 23.701 -2.930 -2.562 1.00 0.00 N ATOM 0 H ASN A 12 20.793 -0.250 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 12 22.948 1.099 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.975 -0.606 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.812 -1.685 -3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 12 24.538 -3.445 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.807 -3.414 -2.640 1.00 0.00 H new ATOM 161 N PRO A 13 24.757 0.639 -5.142 1.00 0.00 N ATOM 162 CA PRO A 13 25.834 0.528 -6.119 1.00 0.00 C ATOM 163 C PRO A 13 26.324 -0.908 -6.232 1.00 0.00 C ATOM 164 O PRO A 13 26.736 -1.360 -7.299 1.00 0.00 O ATOM 165 CB PRO A 13 26.933 1.442 -5.565 1.00 0.00 C ATOM 166 CG PRO A 13 26.574 1.694 -4.136 1.00 0.00 C ATOM 167 CD PRO A 13 25.090 1.526 -4.023 1.00 0.00 C ATOM 0 HA PRO A 13 25.519 0.813 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.912 0.969 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.984 2.375 -6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.093 0.996 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.873 2.698 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.808 1.087 -3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.571 2.482 -4.101 1.00 0.00 H new ATOM 175 N GLY A 14 26.246 -1.624 -5.115 1.00 0.00 N ATOM 176 CA GLY A 14 26.586 -3.031 -5.097 1.00 0.00 C ATOM 177 C GLY A 14 25.587 -3.859 -5.877 1.00 0.00 C ATOM 178 O GLY A 14 25.942 -4.857 -6.503 1.00 0.00 O ATOM 0 H GLY A 14 25.950 -1.248 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.582 -3.170 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.624 -3.383 -4.066 1.00 0.00 H new ATOM 182 N LEU A 15 24.333 -3.429 -5.851 1.00 0.00 N ATOM 183 CA LEU A 15 23.272 -4.118 -6.567 1.00 0.00 C ATOM 184 C LEU A 15 23.449 -3.923 -8.066 1.00 0.00 C ATOM 185 O LEU A 15 23.437 -4.888 -8.825 1.00 0.00 O ATOM 186 CB LEU A 15 21.896 -3.604 -6.121 1.00 0.00 C ATOM 187 CG LEU A 15 20.699 -4.159 -6.901 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.630 -5.673 -6.789 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.407 -3.528 -6.409 1.00 0.00 C ATOM 0 H LEU A 15 24.026 -2.602 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 15 23.329 -5.182 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.763 -3.844 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.889 -2.517 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 15 20.832 -3.905 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.772 -6.041 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.543 -6.110 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.526 -5.956 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.567 -3.933 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.274 -3.750 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.453 -2.448 -6.551 1.00 0.00 H new ATOM 201 N ALA A 16 23.633 -2.673 -8.480 1.00 0.00 N ATOM 202 CA ALA A 16 23.881 -2.357 -9.883 1.00 0.00 C ATOM 203 C ALA A 16 25.122 -3.084 -10.390 1.00 0.00 C ATOM 204 O ALA A 16 25.156 -3.569 -11.523 1.00 0.00 O ATOM 205 CB ALA A 16 24.038 -0.857 -10.063 1.00 0.00 C ATOM 0 H ALA A 16 23.615 -1.861 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 16 23.025 -2.694 -10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.223 -0.634 -11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.126 -0.354 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.878 -0.505 -9.464 1.00 0.00 H new ATOM 211 N GLU A 17 26.134 -3.157 -9.535 1.00 0.00 N ATOM 212 CA GLU A 17 27.367 -3.867 -9.846 1.00 0.00 C ATOM 213 C GLU A 17 27.081 -5.334 -10.154 1.00 0.00 C ATOM 214 O GLU A 17 27.461 -5.844 -11.210 1.00 0.00 O ATOM 215 CB GLU A 17 28.336 -3.742 -8.668 1.00 0.00 C ATOM 216 CG GLU A 17 29.686 -4.402 -8.890 1.00 0.00 C ATOM 217 CD GLU A 17 30.634 -4.149 -7.737 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.518 -4.837 -6.703 1.00 0.00 O ATOM 219 OE2 GLU A 17 31.485 -3.241 -7.849 1.00 0.00 O ATOM 0 H GLU A 17 26.123 -2.727 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 17 27.821 -3.423 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.493 -2.685 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.872 -4.180 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.549 -5.476 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 17 30.127 -4.025 -9.812 1.00 0.00 H new ATOM 226 N ASN A 18 26.384 -6.001 -9.243 1.00 0.00 N ATOM 227 CA ASN A 18 26.036 -7.402 -9.417 1.00 0.00 C ATOM 228 C ASN A 18 25.053 -7.588 -10.568 1.00 0.00 C ATOM 229 O ASN A 18 25.065 -8.618 -11.244 1.00 0.00 O ATOM 230 CB ASN A 18 25.444 -7.962 -8.126 1.00 0.00 C ATOM 231 CG ASN A 18 26.502 -8.351 -7.116 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.973 -9.489 -7.102 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.881 -7.415 -6.263 1.00 0.00 N ATOM 0 H ASN A 18 26.048 -5.590 -8.372 1.00 0.00 H new ATOM 0 HA ASN A 18 26.948 -7.948 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.781 -7.218 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.833 -8.834 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.589 -7.623 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.465 -6.485 -6.309 1.00 0.00 H new ATOM 240 N PHE A 19 24.207 -6.585 -10.781 1.00 0.00 N ATOM 241 CA PHE A 19 23.229 -6.607 -11.863 1.00 0.00 C ATOM 242 C PHE A 19 23.928 -6.708 -13.212 1.00 0.00 C ATOM 243 O PHE A 19 23.626 -7.592 -14.007 1.00 0.00 O ATOM 244 CB PHE A 19 22.352 -5.346 -11.812 1.00 0.00 C ATOM 245 CG PHE A 19 21.288 -5.288 -12.875 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.111 -6.002 -12.728 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.459 -4.510 -14.013 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.124 -5.944 -13.693 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.471 -4.452 -14.983 1.00 0.00 C ATOM 250 CZ PHE A 19 19.307 -5.168 -14.818 1.00 0.00 C ATOM 0 H PHE A 19 24.180 -5.739 -10.212 1.00 0.00 H new ATOM 0 HA PHE A 19 22.593 -7.483 -11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.875 -5.289 -10.834 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.992 -4.469 -11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.963 -6.611 -11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.370 -3.945 -14.143 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.210 -6.506 -13.566 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.614 -3.847 -15.866 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.535 -5.122 -15.572 1.00 0.00 H new ATOM 260 N MET A 20 24.880 -5.813 -13.448 1.00 0.00 N ATOM 261 CA MET A 20 25.605 -5.777 -14.715 1.00 0.00 C ATOM 262 C MET A 20 26.453 -7.029 -14.897 1.00 0.00 C ATOM 263 O MET A 20 26.606 -7.529 -16.014 1.00 0.00 O ATOM 264 CB MET A 20 26.494 -4.534 -14.792 1.00 0.00 C ATOM 265 CG MET A 20 25.722 -3.228 -14.734 1.00 0.00 C ATOM 266 SD MET A 20 24.528 -3.069 -16.073 1.00 0.00 S ATOM 267 CE MET A 20 23.855 -1.450 -15.720 1.00 0.00 C ATOM 0 H MET A 20 25.169 -5.101 -12.778 1.00 0.00 H new ATOM 0 HA MET A 20 24.868 -5.738 -15.517 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.211 -4.559 -13.971 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.068 -4.566 -15.718 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.202 -3.160 -13.778 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.423 -2.394 -14.776 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.800 -1.427 -15.992 1.00 0.00 H new ATOM 0 HE2 MET A 20 23.960 -1.236 -14.656 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.394 -0.698 -16.296 1.00 0.00 H new ATOM 277 N ASN A 21 26.998 -7.539 -13.798 1.00 0.00 N ATOM 278 CA ASN A 21 27.791 -8.753 -13.840 1.00 0.00 C ATOM 279 C ASN A 21 26.938 -9.936 -14.281 1.00 0.00 C ATOM 280 O ASN A 21 27.282 -10.641 -15.228 1.00 0.00 O ATOM 281 CB ASN A 21 28.418 -9.021 -12.472 1.00 0.00 C ATOM 282 CG ASN A 21 29.771 -8.350 -12.305 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.802 -8.909 -12.669 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.783 -7.150 -11.745 1.00 0.00 N ATOM 0 H ASN A 21 26.903 -7.128 -12.869 1.00 0.00 H new ATOM 0 HA ASN A 21 28.591 -8.621 -14.569 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.743 -8.668 -11.692 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.531 -10.096 -12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.667 -6.662 -11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 21 28.908 -6.714 -11.454 1.00 0.00 H new ATOM 291 N SER A 22 25.808 -10.130 -13.610 1.00 0.00 N ATOM 292 CA SER A 22 24.887 -11.195 -13.947 1.00 0.00 C ATOM 293 C SER A 22 24.295 -10.973 -15.338 1.00 0.00 C ATOM 294 O SER A 22 24.022 -11.925 -16.071 1.00 0.00 O ATOM 295 CB SER A 22 23.786 -11.248 -12.894 1.00 0.00 C ATOM 296 OG SER A 22 24.335 -11.289 -11.586 1.00 0.00 O ATOM 0 H SER A 22 25.511 -9.554 -12.822 1.00 0.00 H new ATOM 0 HA SER A 22 25.419 -12.146 -13.962 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.140 -10.376 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.163 -12.127 -13.058 1.00 0.00 H new ATOM 0 HG SER A 22 24.568 -10.381 -11.300 1.00 0.00 H new ATOM 302 N PHE A 23 24.117 -9.705 -15.694 1.00 0.00 N ATOM 303 CA PHE A 23 23.609 -9.325 -17.005 1.00 0.00 C ATOM 304 C PHE A 23 24.484 -9.903 -18.109 1.00 0.00 C ATOM 305 O PHE A 23 23.989 -10.532 -19.045 1.00 0.00 O ATOM 306 CB PHE A 23 23.550 -7.798 -17.112 1.00 0.00 C ATOM 307 CG PHE A 23 23.105 -7.282 -18.454 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.778 -7.366 -18.840 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.017 -6.701 -19.322 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.369 -6.881 -20.067 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.613 -6.216 -20.551 1.00 0.00 C ATOM 312 CZ PHE A 23 22.289 -6.306 -20.923 1.00 0.00 C ATOM 0 H PHE A 23 24.321 -8.914 -15.083 1.00 0.00 H new ATOM 0 HA PHE A 23 22.604 -9.730 -17.125 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.871 -7.419 -16.348 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.537 -7.393 -16.890 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.055 -7.815 -18.175 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.055 -6.627 -19.034 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.331 -6.951 -20.357 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.333 -5.767 -21.219 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.971 -5.927 -21.883 1.00 0.00 H new ATOM 322 N MET A 24 25.789 -9.719 -17.975 1.00 0.00 N ATOM 323 CA MET A 24 26.730 -10.173 -18.988 1.00 0.00 C ATOM 324 C MET A 24 26.953 -11.678 -18.934 1.00 0.00 C ATOM 325 O MET A 24 27.535 -12.254 -19.851 1.00 0.00 O ATOM 326 CB MET A 24 28.058 -9.425 -18.870 1.00 0.00 C ATOM 327 CG MET A 24 28.097 -8.193 -19.751 1.00 0.00 C ATOM 328 SD MET A 24 27.850 -8.615 -21.485 1.00 0.00 S ATOM 329 CE MET A 24 27.566 -6.999 -22.193 1.00 0.00 C ATOM 0 H MET A 24 26.221 -9.258 -17.174 1.00 0.00 H new ATOM 0 HA MET A 24 26.288 -9.948 -19.959 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.219 -9.133 -17.832 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.875 -10.092 -19.144 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.326 -7.492 -19.432 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.056 -7.688 -19.631 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.765 -7.031 -23.264 1.00 0.00 H new ATOM 0 HE2 MET A 24 26.530 -6.705 -22.025 1.00 0.00 H new ATOM 0 HE3 MET A 24 28.230 -6.274 -21.722 1.00 0.00 H new ATOM 339 N GLN A 25 26.489 -12.316 -17.871 1.00 0.00 N ATOM 340 CA GLN A 25 26.540 -13.769 -17.782 1.00 0.00 C ATOM 341 C GLN A 25 25.459 -14.381 -18.662 1.00 0.00 C ATOM 342 O GLN A 25 25.626 -15.469 -19.211 1.00 0.00 O ATOM 343 CB GLN A 25 26.367 -14.218 -16.334 1.00 0.00 C ATOM 344 CG GLN A 25 27.509 -13.785 -15.432 1.00 0.00 C ATOM 345 CD GLN A 25 27.299 -14.179 -13.986 1.00 0.00 C ATOM 346 OE1 GLN A 25 26.168 -14.255 -13.506 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.389 -14.433 -13.282 1.00 0.00 N ATOM 0 H GLN A 25 26.075 -11.855 -17.061 1.00 0.00 H new ATOM 0 HA GLN A 25 27.514 -14.111 -18.133 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.432 -13.814 -15.945 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.282 -15.304 -16.305 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.438 -14.227 -15.793 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.625 -12.703 -15.495 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.307 -14.358 -13.719 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.311 -14.704 -12.302 1.00 0.00 H new ATOM 356 N GLY A 26 24.353 -13.663 -18.800 1.00 0.00 N ATOM 357 CA GLY A 26 23.280 -14.110 -19.663 1.00 0.00 C ATOM 358 C GLY A 26 23.398 -13.547 -21.065 1.00 0.00 C ATOM 359 O GLY A 26 23.153 -14.250 -22.044 1.00 0.00 O ATOM 0 H GLY A 26 24.180 -12.776 -18.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.284 -15.199 -19.710 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.323 -13.813 -19.234 1.00 0.00 H new ATOM 363 N LEU A 27 23.789 -12.278 -21.158 1.00 0.00 N ATOM 364 CA LEU A 27 23.884 -11.578 -22.441 1.00 0.00 C ATOM 365 C LEU A 27 24.850 -12.297 -23.386 1.00 0.00 C ATOM 366 O LEU A 27 24.594 -12.404 -24.582 1.00 0.00 O ATOM 367 CB LEU A 27 24.348 -10.131 -22.204 1.00 0.00 C ATOM 368 CG LEU A 27 23.810 -9.059 -23.171 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.294 -9.284 -24.593 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.292 -9.012 -23.135 1.00 0.00 C ATOM 0 H LEU A 27 24.048 -11.707 -20.353 1.00 0.00 H new ATOM 0 HA LEU A 27 22.900 -11.570 -22.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.066 -9.846 -21.191 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.437 -10.112 -22.249 1.00 0.00 H new ATOM 0 HG LEU A 27 24.201 -8.099 -22.835 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.891 -8.506 -25.242 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.383 -9.248 -24.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.955 -10.259 -24.943 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.935 -8.248 -23.826 1.00 0.00 H new ATOM 0 HD22 LEU A 27 21.891 -9.982 -23.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 21.959 -8.772 -22.125 1.00 0.00 H new ATOM 382 N SER A 28 25.940 -12.824 -22.837 1.00 0.00 N ATOM 383 CA SER A 28 26.963 -13.477 -23.639 1.00 0.00 C ATOM 384 C SER A 28 26.474 -14.813 -24.204 1.00 0.00 C ATOM 385 O SER A 28 27.121 -15.406 -25.067 1.00 0.00 O ATOM 386 CB SER A 28 28.211 -13.683 -22.786 1.00 0.00 C ATOM 387 OG SER A 28 27.886 -14.283 -21.543 1.00 0.00 O ATOM 0 H SER A 28 26.136 -12.810 -21.836 1.00 0.00 H new ATOM 0 HA SER A 28 27.198 -12.836 -24.489 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.922 -14.312 -23.322 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.700 -12.724 -22.614 1.00 0.00 H new ATOM 0 HG SER A 28 27.775 -13.586 -20.863 1.00 0.00 H new ATOM 393 N SER A 29 25.336 -15.286 -23.717 1.00 0.00 N ATOM 394 CA SER A 29 24.766 -16.531 -24.198 1.00 0.00 C ATOM 395 C SER A 29 23.648 -16.252 -25.198 1.00 0.00 C ATOM 396 O SER A 29 23.042 -17.174 -25.746 1.00 0.00 O ATOM 397 CB SER A 29 24.238 -17.345 -23.020 1.00 0.00 C ATOM 398 OG SER A 29 25.268 -17.580 -22.072 1.00 0.00 O ATOM 0 H SER A 29 24.791 -14.825 -22.989 1.00 0.00 H new ATOM 0 HA SER A 29 25.542 -17.105 -24.705 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.413 -16.814 -22.545 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.841 -18.295 -23.377 1.00 0.00 H new ATOM 0 HG SER A 29 24.911 -18.102 -21.323 1.00 0.00 H new ATOM 404 N MET A 30 23.391 -14.973 -25.437 1.00 0.00 N ATOM 405 CA MET A 30 22.327 -14.561 -26.334 1.00 0.00 C ATOM 406 C MET A 30 22.886 -14.275 -27.723 1.00 0.00 C ATOM 407 O MET A 30 23.733 -13.395 -27.889 1.00 0.00 O ATOM 408 CB MET A 30 21.633 -13.310 -25.797 1.00 0.00 C ATOM 409 CG MET A 30 21.024 -13.471 -24.414 1.00 0.00 C ATOM 410 SD MET A 30 19.699 -14.693 -24.360 1.00 0.00 S ATOM 411 CE MET A 30 19.110 -14.450 -22.685 1.00 0.00 C ATOM 0 H MET A 30 23.910 -14.201 -25.018 1.00 0.00 H new ATOM 0 HA MET A 30 21.602 -15.372 -26.399 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.354 -12.493 -25.770 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.848 -13.018 -26.494 1.00 0.00 H new ATOM 0 HG2 MET A 30 21.805 -13.760 -23.711 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.636 -12.509 -24.081 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.128 -14.910 -22.574 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.807 -14.909 -21.984 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.036 -13.383 -22.477 1.00 0.00 H new ATOM 421 N PRO A 31 22.429 -15.019 -28.737 1.00 0.00 N ATOM 422 CA PRO A 31 22.852 -14.799 -30.117 1.00 0.00 C ATOM 423 C PRO A 31 22.311 -13.480 -30.668 1.00 0.00 C ATOM 424 O PRO A 31 21.105 -13.238 -30.652 1.00 0.00 O ATOM 425 CB PRO A 31 22.253 -15.987 -30.874 1.00 0.00 C ATOM 426 CG PRO A 31 21.103 -16.438 -30.041 1.00 0.00 C ATOM 427 CD PRO A 31 21.466 -16.129 -28.616 1.00 0.00 C ATOM 0 HA PRO A 31 23.936 -14.732 -30.211 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.926 -15.694 -31.872 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.986 -16.784 -31.000 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.188 -15.921 -30.330 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.922 -17.505 -30.173 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.592 -15.840 -28.033 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.909 -16.992 -28.119 1.00 0.00 H new ATOM 435 N GLY A 32 23.207 -12.622 -31.136 1.00 0.00 N ATOM 436 CA GLY A 32 22.790 -11.346 -31.681 1.00 0.00 C ATOM 437 C GLY A 32 23.854 -10.281 -31.528 1.00 0.00 C ATOM 438 O GLY A 32 23.945 -9.362 -32.345 1.00 0.00 O ATOM 0 H GLY A 32 24.214 -12.786 -31.148 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.548 -11.466 -32.737 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.878 -11.020 -31.180 1.00 0.00 H new ATOM 442 N PHE A 33 24.654 -10.395 -30.482 1.00 0.00 N ATOM 443 CA PHE A 33 25.739 -9.453 -30.250 1.00 0.00 C ATOM 444 C PHE A 33 27.089 -10.128 -30.450 1.00 0.00 C ATOM 445 O PHE A 33 27.267 -11.292 -30.099 1.00 0.00 O ATOM 446 CB PHE A 33 25.665 -8.864 -28.839 1.00 0.00 C ATOM 447 CG PHE A 33 24.493 -7.949 -28.608 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.540 -6.623 -29.013 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.352 -8.409 -27.969 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.471 -5.779 -28.793 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.278 -7.567 -27.748 1.00 0.00 C ATOM 452 CZ PHE A 33 22.339 -6.250 -28.157 1.00 0.00 C ATOM 0 H PHE A 33 24.574 -11.130 -29.779 1.00 0.00 H new ATOM 0 HA PHE A 33 25.633 -8.644 -30.973 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.620 -9.681 -28.119 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.585 -8.314 -28.639 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.424 -6.247 -29.506 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.302 -9.436 -27.640 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.519 -4.750 -29.118 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.392 -7.939 -27.256 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.503 -5.589 -27.980 1.00 0.00 H new ATOM 462 N THR A 34 28.029 -9.397 -31.029 1.00 0.00 N ATOM 463 CA THR A 34 29.392 -9.883 -31.186 1.00 0.00 C ATOM 464 C THR A 34 30.210 -9.502 -29.953 1.00 0.00 C ATOM 465 O THR A 34 29.794 -8.637 -29.180 1.00 0.00 O ATOM 466 CB THR A 34 30.050 -9.296 -32.458 1.00 0.00 C ATOM 467 OG1 THR A 34 31.327 -9.901 -32.692 1.00 0.00 O ATOM 468 CG2 THR A 34 30.222 -7.791 -32.334 1.00 0.00 C ATOM 0 H THR A 34 27.872 -8.460 -31.400 1.00 0.00 H new ATOM 0 HA THR A 34 29.365 -10.968 -31.291 1.00 0.00 H new ATOM 0 HB THR A 34 29.391 -9.510 -33.299 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.727 -9.519 -33.501 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.686 -7.402 -33.240 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.247 -7.323 -32.196 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.856 -7.567 -31.476 1.00 0.00 H new ATOM 476 N ALA A 35 31.370 -10.128 -29.781 1.00 0.00 N ATOM 477 CA ALA A 35 32.217 -9.880 -28.615 1.00 0.00 C ATOM 478 C ALA A 35 32.595 -8.406 -28.485 1.00 0.00 C ATOM 479 O ALA A 35 32.768 -7.903 -27.377 1.00 0.00 O ATOM 480 CB ALA A 35 33.469 -10.737 -28.677 1.00 0.00 C ATOM 0 H ALA A 35 31.748 -10.813 -30.435 1.00 0.00 H new ATOM 0 HA ALA A 35 31.639 -10.151 -27.732 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.088 -10.540 -27.802 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.189 -11.790 -28.694 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.030 -10.497 -29.580 1.00 0.00 H new ATOM 486 N SER A 36 32.717 -7.717 -29.615 1.00 0.00 N ATOM 487 CA SER A 36 33.046 -6.297 -29.609 1.00 0.00 C ATOM 488 C SER A 36 31.914 -5.484 -28.971 1.00 0.00 C ATOM 489 O SER A 36 32.129 -4.782 -27.981 1.00 0.00 O ATOM 490 CB SER A 36 33.302 -5.823 -31.039 1.00 0.00 C ATOM 491 OG SER A 36 34.134 -6.740 -31.732 1.00 0.00 O ATOM 0 H SER A 36 32.593 -8.118 -30.545 1.00 0.00 H new ATOM 0 HA SER A 36 33.948 -6.146 -29.016 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.354 -5.715 -31.566 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.772 -4.840 -31.022 1.00 0.00 H new ATOM 0 HG SER A 36 34.284 -6.419 -32.646 1.00 0.00 H new ATOM 497 N GLN A 37 30.710 -5.601 -29.528 1.00 0.00 N ATOM 498 CA GLN A 37 29.537 -4.922 -28.980 1.00 0.00 C ATOM 499 C GLN A 37 29.273 -5.372 -27.550 1.00 0.00 C ATOM 500 O GLN A 37 28.857 -4.577 -26.707 1.00 0.00 O ATOM 501 CB GLN A 37 28.305 -5.177 -29.856 1.00 0.00 C ATOM 502 CG GLN A 37 28.138 -4.156 -30.973 1.00 0.00 C ATOM 503 CD GLN A 37 29.273 -4.176 -31.978 1.00 0.00 C ATOM 504 OE1 GLN A 37 30.298 -3.528 -31.784 1.00 0.00 O ATOM 505 NE2 GLN A 37 29.086 -4.893 -33.072 1.00 0.00 N ATOM 0 H GLN A 37 30.521 -6.160 -30.360 1.00 0.00 H new ATOM 0 HA GLN A 37 29.739 -3.851 -28.972 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.378 -6.173 -30.292 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.414 -5.168 -29.229 1.00 0.00 H new ATOM 0 HG2 GLN A 37 27.199 -4.346 -31.492 1.00 0.00 H new ATOM 0 HG3 GLN A 37 28.065 -3.160 -30.537 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.220 -5.418 -33.196 1.00 0.00 H new ATOM 0 HE22 GLN A 37 29.807 -4.922 -33.792 1.00 0.00 H new ATOM 514 N LEU A 38 29.531 -6.645 -27.286 1.00 0.00 N ATOM 515 CA LEU A 38 29.426 -7.196 -25.945 1.00 0.00 C ATOM 516 C LEU A 38 30.353 -6.444 -24.993 1.00 0.00 C ATOM 517 O LEU A 38 29.941 -6.003 -23.920 1.00 0.00 O ATOM 518 CB LEU A 38 29.818 -8.671 -25.980 1.00 0.00 C ATOM 519 CG LEU A 38 29.217 -9.542 -24.887 1.00 0.00 C ATOM 520 CD1 LEU A 38 27.714 -9.635 -25.069 1.00 0.00 C ATOM 521 CD2 LEU A 38 29.848 -10.923 -24.914 1.00 0.00 C ATOM 0 H LEU A 38 29.818 -7.322 -27.993 1.00 0.00 H new ATOM 0 HA LEU A 38 28.400 -7.092 -25.592 1.00 0.00 H new ATOM 0 HB2 LEU A 38 29.527 -9.082 -26.947 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.904 -8.740 -25.918 1.00 0.00 H new ATOM 0 HG LEU A 38 29.421 -9.091 -23.916 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.290 -10.260 -24.283 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.278 -8.637 -25.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 27.492 -10.074 -26.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.411 -11.538 -24.128 1.00 0.00 H new ATOM 0 HD22 LEU A 38 29.665 -11.388 -25.883 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.922 -10.835 -24.751 1.00 0.00 H new ATOM 533 N ASP A 39 31.605 -6.289 -25.408 1.00 0.00 N ATOM 534 CA ASP A 39 32.611 -5.610 -24.600 1.00 0.00 C ATOM 535 C ASP A 39 32.233 -4.155 -24.358 1.00 0.00 C ATOM 536 O ASP A 39 32.355 -3.651 -23.242 1.00 0.00 O ATOM 537 CB ASP A 39 33.976 -5.679 -25.275 1.00 0.00 C ATOM 538 CG ASP A 39 35.078 -5.111 -24.405 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.106 -5.411 -23.190 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.935 -4.372 -24.931 1.00 0.00 O ATOM 0 H ASP A 39 31.949 -6.627 -26.306 1.00 0.00 H new ATOM 0 HA ASP A 39 32.660 -6.120 -23.638 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.206 -6.716 -25.518 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.941 -5.131 -26.217 1.00 0.00 H new ATOM 545 N ASP A 40 31.755 -3.484 -25.402 1.00 0.00 N ATOM 546 CA ASP A 40 31.355 -2.089 -25.292 1.00 0.00 C ATOM 547 C ASP A 40 30.169 -1.948 -24.356 1.00 0.00 C ATOM 548 O ASP A 40 30.144 -1.067 -23.498 1.00 0.00 O ATOM 549 CB ASP A 40 31.019 -1.506 -26.666 1.00 0.00 C ATOM 550 CG ASP A 40 32.237 -0.952 -27.378 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.933 -0.093 -26.796 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.509 -1.366 -28.525 1.00 0.00 O ATOM 0 H ASP A 40 31.636 -3.885 -26.332 1.00 0.00 H new ATOM 0 HA ASP A 40 32.194 -1.529 -24.880 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.563 -2.280 -27.283 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.279 -0.714 -26.549 1.00 0.00 H new ATOM 557 N MET A 41 29.197 -2.838 -24.501 1.00 0.00 N ATOM 558 CA MET A 41 28.034 -2.847 -23.636 1.00 0.00 C ATOM 559 C MET A 41 28.454 -3.087 -22.194 1.00 0.00 C ATOM 560 O MET A 41 27.953 -2.441 -21.276 1.00 0.00 O ATOM 561 CB MET A 41 27.061 -3.927 -24.099 1.00 0.00 C ATOM 562 CG MET A 41 25.758 -3.945 -23.324 1.00 0.00 C ATOM 563 SD MET A 41 24.595 -5.170 -23.950 1.00 0.00 S ATOM 564 CE MET A 41 24.325 -4.562 -25.612 1.00 0.00 C ATOM 0 H MET A 41 29.195 -3.566 -25.215 1.00 0.00 H new ATOM 0 HA MET A 41 27.537 -1.878 -23.690 1.00 0.00 H new ATOM 0 HB2 MET A 41 26.843 -3.778 -25.156 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.542 -4.901 -24.007 1.00 0.00 H new ATOM 0 HG2 MET A 41 25.967 -4.151 -22.274 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.299 -2.957 -23.370 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.275 -4.683 -25.878 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.592 -3.506 -25.661 1.00 0.00 H new ATOM 0 HE3 MET A 41 24.943 -5.126 -26.311 1.00 0.00 H new ATOM 574 N SER A 42 29.396 -4.001 -22.011 1.00 0.00 N ATOM 575 CA SER A 42 29.935 -4.296 -20.695 1.00 0.00 C ATOM 576 C SER A 42 30.619 -3.059 -20.120 1.00 0.00 C ATOM 577 O SER A 42 30.474 -2.746 -18.938 1.00 0.00 O ATOM 578 CB SER A 42 30.921 -5.463 -20.788 1.00 0.00 C ATOM 579 OG SER A 42 31.436 -5.811 -19.515 1.00 0.00 O ATOM 0 H SER A 42 29.804 -4.554 -22.765 1.00 0.00 H new ATOM 0 HA SER A 42 29.120 -4.580 -20.029 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.423 -6.327 -21.229 1.00 0.00 H new ATOM 0 HB3 SER A 42 31.742 -5.195 -21.453 1.00 0.00 H new ATOM 0 HG SER A 42 32.061 -6.560 -19.609 1.00 0.00 H new ATOM 585 N THR A 43 31.341 -2.346 -20.975 1.00 0.00 N ATOM 586 CA THR A 43 32.053 -1.144 -20.571 1.00 0.00 C ATOM 587 C THR A 43 31.077 -0.044 -20.150 1.00 0.00 C ATOM 588 O THR A 43 31.280 0.624 -19.136 1.00 0.00 O ATOM 589 CB THR A 43 32.956 -0.632 -21.709 1.00 0.00 C ATOM 590 OG1 THR A 43 33.806 -1.694 -22.165 1.00 0.00 O ATOM 591 CG2 THR A 43 33.812 0.542 -21.250 1.00 0.00 C ATOM 0 H THR A 43 31.448 -2.584 -21.961 1.00 0.00 H new ATOM 0 HA THR A 43 32.677 -1.403 -19.716 1.00 0.00 H new ATOM 0 HB THR A 43 32.316 -0.291 -22.523 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.292 -2.303 -22.735 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.438 0.881 -22.076 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.166 1.358 -20.926 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.445 0.228 -20.420 1.00 0.00 H new ATOM 599 N ILE A 44 30.010 0.134 -20.922 1.00 0.00 N ATOM 600 CA ILE A 44 28.986 1.118 -20.584 1.00 0.00 C ATOM 601 C ILE A 44 28.266 0.704 -19.310 1.00 0.00 C ATOM 602 O ILE A 44 27.897 1.539 -18.483 1.00 0.00 O ATOM 603 CB ILE A 44 27.953 1.293 -21.715 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.645 1.649 -23.033 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.937 2.361 -21.336 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.518 2.882 -22.953 1.00 0.00 C ATOM 0 H ILE A 44 29.832 -0.386 -21.781 1.00 0.00 H new ATOM 0 HA ILE A 44 29.492 2.072 -20.438 1.00 0.00 H new ATOM 0 HB ILE A 44 27.429 0.347 -21.855 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.255 0.804 -23.352 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.886 1.802 -23.801 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.212 2.476 -22.142 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.420 2.064 -20.423 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.450 3.309 -21.171 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.973 3.069 -23.925 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.910 3.740 -22.666 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.300 2.726 -22.210 1.00 0.00 H new ATOM 618 N ALA A 45 28.078 -0.597 -19.159 1.00 0.00 N ATOM 619 CA ALA A 45 27.520 -1.150 -17.937 1.00 0.00 C ATOM 620 C ALA A 45 28.390 -0.771 -16.745 1.00 0.00 C ATOM 621 O ALA A 45 27.881 -0.419 -15.679 1.00 0.00 O ATOM 622 CB ALA A 45 27.394 -2.659 -18.054 1.00 0.00 C ATOM 0 H ALA A 45 28.305 -1.292 -19.871 1.00 0.00 H new ATOM 0 HA ALA A 45 26.524 -0.734 -17.782 1.00 0.00 H new ATOM 0 HB1 ALA A 45 26.975 -3.062 -17.132 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.738 -2.906 -18.889 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.379 -3.094 -18.225 1.00 0.00 H new ATOM 628 N GLN A 46 29.709 -0.816 -16.942 1.00 0.00 N ATOM 629 CA GLN A 46 30.648 -0.417 -15.900 1.00 0.00 C ATOM 630 C GLN A 46 30.532 1.080 -15.639 1.00 0.00 C ATOM 631 O GLN A 46 30.683 1.533 -14.505 1.00 0.00 O ATOM 632 CB GLN A 46 32.097 -0.758 -16.278 1.00 0.00 C ATOM 633 CG GLN A 46 32.352 -2.230 -16.586 1.00 0.00 C ATOM 634 CD GLN A 46 31.697 -3.176 -15.598 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.257 -3.488 -14.550 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.520 -3.668 -15.950 1.00 0.00 N ATOM 0 H GLN A 46 30.147 -1.124 -17.810 1.00 0.00 H new ATOM 0 HA GLN A 46 30.393 -0.973 -14.998 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.379 -0.166 -17.149 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.751 -0.454 -15.461 1.00 0.00 H new ATOM 0 HG2 GLN A 46 31.985 -2.452 -17.588 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.427 -2.411 -16.593 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.090 -3.382 -16.830 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.043 -4.333 -15.342 1.00 0.00 H new ATOM 645 N SER A 47 30.249 1.839 -16.696 1.00 0.00 N ATOM 646 CA SER A 47 30.087 3.283 -16.585 1.00 0.00 C ATOM 647 C SER A 47 28.918 3.604 -15.659 1.00 0.00 C ATOM 648 O SER A 47 29.020 4.465 -14.784 1.00 0.00 O ATOM 649 CB SER A 47 29.859 3.891 -17.975 1.00 0.00 C ATOM 650 OG SER A 47 29.812 5.308 -17.929 1.00 0.00 O ATOM 0 H SER A 47 30.127 1.474 -17.641 1.00 0.00 H new ATOM 0 HA SER A 47 30.993 3.716 -16.162 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.658 3.575 -18.645 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.926 3.510 -18.390 1.00 0.00 H new ATOM 0 HG SER A 47 29.667 5.660 -18.832 1.00 0.00 H new ATOM 656 N MET A 48 27.816 2.881 -15.846 1.00 0.00 N ATOM 657 CA MET A 48 26.642 3.031 -14.995 1.00 0.00 C ATOM 658 C MET A 48 26.991 2.691 -13.551 1.00 0.00 C ATOM 659 O MET A 48 26.675 3.449 -12.637 1.00 0.00 O ATOM 660 CB MET A 48 25.495 2.134 -15.484 1.00 0.00 C ATOM 661 CG MET A 48 24.943 2.525 -16.846 1.00 0.00 C ATOM 662 SD MET A 48 24.099 4.123 -16.834 1.00 0.00 S ATOM 663 CE MET A 48 22.671 3.758 -15.811 1.00 0.00 C ATOM 0 H MET A 48 27.713 2.183 -16.583 1.00 0.00 H new ATOM 0 HA MET A 48 26.314 4.069 -15.047 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.847 1.103 -15.528 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.687 2.164 -14.753 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.760 2.557 -17.567 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.249 1.756 -17.185 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.907 4.520 -15.967 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.270 2.781 -16.082 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.967 3.750 -14.762 1.00 0.00 H new ATOM 673 N VAL A 49 27.668 1.560 -13.356 1.00 0.00 N ATOM 674 CA VAL A 49 28.069 1.124 -12.021 1.00 0.00 C ATOM 675 C VAL A 49 28.919 2.188 -11.330 1.00 0.00 C ATOM 676 O VAL A 49 28.614 2.606 -10.214 1.00 0.00 O ATOM 677 CB VAL A 49 28.857 -0.206 -12.062 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.336 -0.602 -10.672 1.00 0.00 C ATOM 679 CG2 VAL A 49 28.008 -1.316 -12.665 1.00 0.00 C ATOM 0 H VAL A 49 27.950 0.929 -14.107 1.00 0.00 H new ATOM 0 HA VAL A 49 27.151 0.967 -11.455 1.00 0.00 H new ATOM 0 HB VAL A 49 29.732 -0.056 -12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.887 -1.541 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.988 0.177 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.477 -0.726 -10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.581 -2.243 -12.684 1.00 0.00 H new ATOM 0 HG22 VAL A 49 27.111 -1.457 -12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.723 -1.045 -13.681 1.00 0.00 H new ATOM 689 N GLN A 50 29.970 2.640 -12.008 1.00 0.00 N ATOM 690 CA GLN A 50 30.880 3.634 -11.443 1.00 0.00 C ATOM 691 C GLN A 50 30.163 4.948 -11.162 1.00 0.00 C ATOM 692 O GLN A 50 30.477 5.638 -10.191 1.00 0.00 O ATOM 693 CB GLN A 50 32.068 3.870 -12.375 1.00 0.00 C ATOM 694 CG GLN A 50 33.034 2.699 -12.424 1.00 0.00 C ATOM 695 CD GLN A 50 33.639 2.392 -11.066 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.099 1.597 -10.299 1.00 0.00 O ATOM 697 NE2 GLN A 50 34.759 3.025 -10.756 1.00 0.00 N ATOM 0 H GLN A 50 30.214 2.334 -12.950 1.00 0.00 H new ATOM 0 HA GLN A 50 31.249 3.241 -10.496 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.698 4.069 -13.381 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.604 4.761 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.513 1.816 -12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.832 2.919 -13.133 1.00 0.00 H new ATOM 0 HE21 GLN A 50 35.177 3.677 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 50 35.205 2.860 -9.853 1.00 0.00 H new ATOM 706 N SER A 51 29.191 5.281 -12.001 1.00 0.00 N ATOM 707 CA SER A 51 28.427 6.504 -11.827 1.00 0.00 C ATOM 708 C SER A 51 27.588 6.407 -10.558 1.00 0.00 C ATOM 709 O SER A 51 27.435 7.384 -9.827 1.00 0.00 O ATOM 710 CB SER A 51 27.533 6.753 -13.049 1.00 0.00 C ATOM 711 OG SER A 51 26.919 8.033 -12.993 1.00 0.00 O ATOM 0 H SER A 51 28.915 4.720 -12.807 1.00 0.00 H new ATOM 0 HA SER A 51 29.114 7.345 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 51 28.128 6.673 -13.959 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.765 5.982 -13.102 1.00 0.00 H new ATOM 0 HG SER A 51 26.358 8.162 -13.786 1.00 0.00 H new ATOM 717 N ILE A 52 27.073 5.214 -10.293 1.00 0.00 N ATOM 718 CA ILE A 52 26.251 4.971 -9.118 1.00 0.00 C ATOM 719 C ILE A 52 27.117 4.849 -7.862 1.00 0.00 C ATOM 720 O ILE A 52 26.687 5.214 -6.766 1.00 0.00 O ATOM 721 CB ILE A 52 25.390 3.704 -9.304 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.488 3.881 -10.525 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.558 3.423 -8.059 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.806 2.612 -10.968 1.00 0.00 C ATOM 0 H ILE A 52 27.213 4.393 -10.883 1.00 0.00 H new ATOM 0 HA ILE A 52 25.585 5.824 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 52 26.047 2.849 -9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.729 4.630 -10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 52 25.083 4.270 -11.351 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.960 2.525 -8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 25.219 3.274 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.898 4.268 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.184 2.818 -11.839 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.558 1.866 -11.227 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.183 2.232 -10.159 1.00 0.00 H new ATOM 736 N GLN A 53 28.345 4.358 -8.033 1.00 0.00 N ATOM 737 CA GLN A 53 29.306 4.275 -6.931 1.00 0.00 C ATOM 738 C GLN A 53 29.476 5.638 -6.269 1.00 0.00 C ATOM 739 O GLN A 53 29.535 5.745 -5.045 1.00 0.00 O ATOM 740 CB GLN A 53 30.670 3.772 -7.426 1.00 0.00 C ATOM 741 CG GLN A 53 30.668 2.326 -7.899 1.00 0.00 C ATOM 742 CD GLN A 53 30.309 1.341 -6.801 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.560 1.583 -5.619 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.726 0.218 -7.184 1.00 0.00 N ATOM 0 H GLN A 53 28.698 4.011 -8.925 1.00 0.00 H new ATOM 0 HA GLN A 53 28.915 3.566 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 53 31.004 4.410 -8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.398 3.878 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.959 2.220 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.653 2.078 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.535 0.054 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.468 -0.485 -6.491 1.00 0.00 H new ATOM 753 N SER A 54 29.554 6.678 -7.087 1.00 0.00 N ATOM 754 CA SER A 54 29.662 8.037 -6.583 1.00 0.00 C ATOM 755 C SER A 54 28.277 8.614 -6.285 1.00 0.00 C ATOM 756 O SER A 54 28.107 9.407 -5.360 1.00 0.00 O ATOM 757 CB SER A 54 30.388 8.912 -7.604 1.00 0.00 C ATOM 758 OG SER A 54 31.593 8.297 -8.036 1.00 0.00 O ATOM 0 H SER A 54 29.544 6.605 -8.104 1.00 0.00 H new ATOM 0 HA SER A 54 30.233 8.020 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 54 29.739 9.091 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 54 30.609 9.884 -7.163 1.00 0.00 H new ATOM 0 HG SER A 54 32.039 8.875 -8.690 1.00 0.00 H new ATOM 764 N LEU A 55 27.289 8.191 -7.068 1.00 0.00 N ATOM 765 CA LEU A 55 25.927 8.700 -6.946 1.00 0.00 C ATOM 766 C LEU A 55 25.366 8.437 -5.553 1.00 0.00 C ATOM 767 O LEU A 55 24.886 9.354 -4.885 1.00 0.00 O ATOM 768 CB LEU A 55 25.025 8.041 -7.991 1.00 0.00 C ATOM 769 CG LEU A 55 23.729 8.789 -8.297 1.00 0.00 C ATOM 770 CD1 LEU A 55 24.030 10.069 -9.059 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.774 7.905 -9.086 1.00 0.00 C ATOM 0 H LEU A 55 27.408 7.491 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 55 25.954 9.777 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 25.589 7.931 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.774 7.037 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 55 23.247 9.051 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 55 23.098 10.594 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 55 24.677 10.707 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 55 24.531 9.825 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.857 8.456 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.242 7.611 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.538 7.014 -8.504 1.00 0.00 H new ATOM 783 N ALA A 56 25.461 7.188 -5.109 1.00 0.00 N ATOM 784 CA ALA A 56 24.903 6.777 -3.825 1.00 0.00 C ATOM 785 C ALA A 56 25.765 7.248 -2.656 1.00 0.00 C ATOM 786 O ALA A 56 25.447 6.990 -1.495 1.00 0.00 O ATOM 787 CB ALA A 56 24.739 5.267 -3.785 1.00 0.00 C ATOM 0 H ALA A 56 25.923 6.438 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 56 23.925 7.247 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.322 4.972 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.067 4.953 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.711 4.792 -3.921 1.00 0.00 H new ATOM 793 N ALA A 57 26.855 7.937 -2.964 1.00 0.00 N ATOM 794 CA ALA A 57 27.714 8.497 -1.939 1.00 0.00 C ATOM 795 C ALA A 57 27.479 9.995 -1.842 1.00 0.00 C ATOM 796 O ALA A 57 27.565 10.586 -0.766 1.00 0.00 O ATOM 797 CB ALA A 57 29.177 8.199 -2.241 1.00 0.00 C ATOM 0 H ALA A 57 27.163 8.120 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 57 27.471 8.037 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.804 8.628 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.329 7.120 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.446 8.635 -3.203 1.00 0.00 H new ATOM 803 N GLN A 58 27.174 10.602 -2.982 1.00 0.00 N ATOM 804 CA GLN A 58 26.885 12.024 -3.037 1.00 0.00 C ATOM 805 C GLN A 58 25.436 12.296 -2.649 1.00 0.00 C ATOM 806 O GLN A 58 25.102 13.384 -2.182 1.00 0.00 O ATOM 807 CB GLN A 58 27.175 12.575 -4.436 1.00 0.00 C ATOM 808 CG GLN A 58 28.646 12.503 -4.823 1.00 0.00 C ATOM 809 CD GLN A 58 28.919 13.026 -6.221 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.956 12.869 -7.118 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 29.994 13.560 -6.498 1.00 0.00 N flip ATOM 0 H GLN A 58 27.121 10.127 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 58 27.532 12.532 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.587 12.019 -5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.845 13.613 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.233 13.077 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.983 11.469 -4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.712 13.663 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.166 13.899 -7.445 1.00 0.00 H new ATOM 820 N GLY A 59 24.580 11.301 -2.848 1.00 0.00 N ATOM 821 CA GLY A 59 23.188 11.434 -2.466 1.00 0.00 C ATOM 822 C GLY A 59 22.343 12.057 -3.557 1.00 0.00 C ATOM 823 O GLY A 59 21.212 12.474 -3.314 1.00 0.00 O ATOM 0 H GLY A 59 24.826 10.404 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.788 10.451 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.119 12.043 -1.565 1.00 0.00 H new ATOM 827 N ARG A 60 22.885 12.109 -4.765 1.00 0.00 N ATOM 828 CA ARG A 60 22.179 12.712 -5.883 1.00 0.00 C ATOM 829 C ARG A 60 21.228 11.720 -6.547 1.00 0.00 C ATOM 830 O ARG A 60 21.557 11.107 -7.560 1.00 0.00 O ATOM 831 CB ARG A 60 23.160 13.284 -6.904 1.00 0.00 C ATOM 832 CG ARG A 60 23.705 14.646 -6.510 1.00 0.00 C ATOM 833 CD ARG A 60 24.447 15.289 -7.662 1.00 0.00 C ATOM 834 NE ARG A 60 24.683 16.715 -7.443 1.00 0.00 N ATOM 835 CZ ARG A 60 25.298 17.518 -8.315 1.00 0.00 C ATOM 836 NH1 ARG A 60 25.797 17.026 -9.445 1.00 0.00 N ATOM 837 NH2 ARG A 60 25.410 18.814 -8.050 1.00 0.00 N ATOM 0 H ARG A 60 23.809 11.742 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 60 21.580 13.531 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.991 12.589 -7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.663 13.364 -7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.885 15.292 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.374 14.540 -5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.402 14.783 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.875 15.154 -8.580 1.00 0.00 H new ATOM 0 HE ARG A 60 24.357 17.123 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 60 25.711 16.030 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 60 26.266 17.644 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 60 25.027 19.192 -7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.879 19.431 -8.713 1.00 0.00 H new ATOM 851 N THR A 61 20.056 11.561 -5.953 1.00 0.00 N ATOM 852 CA THR A 61 19.016 10.684 -6.484 1.00 0.00 C ATOM 853 C THR A 61 17.677 11.409 -6.490 1.00 0.00 C ATOM 854 O THR A 61 17.471 12.355 -5.730 1.00 0.00 O ATOM 855 CB THR A 61 18.898 9.391 -5.648 1.00 0.00 C ATOM 856 OG1 THR A 61 18.850 9.711 -4.249 1.00 0.00 O ATOM 857 CG2 THR A 61 20.067 8.455 -5.917 1.00 0.00 C ATOM 0 H THR A 61 19.795 12.035 -5.088 1.00 0.00 H new ATOM 0 HA THR A 61 19.292 10.413 -7.503 1.00 0.00 H new ATOM 0 HB THR A 61 17.977 8.886 -5.939 1.00 0.00 H new ATOM 0 HG1 THR A 61 18.773 8.885 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.957 7.553 -5.315 1.00 0.00 H new ATOM 0 HG22 THR A 61 20.082 8.186 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 61 21.000 8.954 -5.656 1.00 0.00 H new ATOM 865 N SER A 62 16.777 10.963 -7.349 1.00 0.00 N ATOM 866 CA SER A 62 15.499 11.624 -7.545 1.00 0.00 C ATOM 867 C SER A 62 14.626 10.776 -8.461 1.00 0.00 C ATOM 868 O SER A 62 15.143 10.140 -9.374 1.00 0.00 O ATOM 869 CB SER A 62 15.734 13.007 -8.166 1.00 0.00 C ATOM 870 OG SER A 62 14.517 13.639 -8.520 1.00 0.00 O ATOM 0 H SER A 62 16.911 10.135 -7.929 1.00 0.00 H new ATOM 0 HA SER A 62 14.993 11.745 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.277 13.635 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.362 12.906 -9.051 1.00 0.00 H new ATOM 0 HG SER A 62 14.706 14.518 -8.911 1.00 0.00 H new ATOM 876 N PRO A 63 13.303 10.738 -8.228 1.00 0.00 N ATOM 877 CA PRO A 63 12.369 9.968 -9.060 1.00 0.00 C ATOM 878 C PRO A 63 12.548 10.265 -10.550 1.00 0.00 C ATOM 879 O PRO A 63 12.576 9.354 -11.380 1.00 0.00 O ATOM 880 CB PRO A 63 10.981 10.424 -8.578 1.00 0.00 C ATOM 881 CG PRO A 63 11.224 11.603 -7.691 1.00 0.00 C ATOM 882 CD PRO A 63 12.606 11.429 -7.137 1.00 0.00 C ATOM 0 HA PRO A 63 12.527 8.894 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.344 10.693 -9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.473 9.626 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.143 12.535 -8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.486 11.647 -6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.071 12.386 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.604 10.840 -6.220 1.00 0.00 H new ATOM 890 N ASN A 64 12.705 11.541 -10.871 1.00 0.00 N ATOM 891 CA ASN A 64 12.869 11.971 -12.255 1.00 0.00 C ATOM 892 C ASN A 64 14.256 11.627 -12.776 1.00 0.00 C ATOM 893 O ASN A 64 14.424 11.271 -13.940 1.00 0.00 O ATOM 894 CB ASN A 64 12.631 13.476 -12.376 1.00 0.00 C ATOM 895 CG ASN A 64 11.200 13.865 -12.076 1.00 0.00 C ATOM 896 OD1 ASN A 64 10.845 14.132 -10.928 1.00 0.00 O ATOM 897 ND2 ASN A 64 10.365 13.899 -13.101 1.00 0.00 N ATOM 0 H ASN A 64 12.723 12.300 -10.190 1.00 0.00 H new ATOM 0 HA ASN A 64 12.132 11.440 -12.858 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.297 14.002 -11.692 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.888 13.801 -13.384 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.388 14.153 -12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.698 13.671 -14.038 1.00 0.00 H new ATOM 904 N LYS A 65 15.249 11.717 -11.905 1.00 0.00 N ATOM 905 CA LYS A 65 16.626 11.460 -12.295 1.00 0.00 C ATOM 906 C LYS A 65 16.864 9.961 -12.486 1.00 0.00 C ATOM 907 O LYS A 65 17.653 9.557 -13.339 1.00 0.00 O ATOM 908 CB LYS A 65 17.586 12.068 -11.273 1.00 0.00 C ATOM 909 CG LYS A 65 18.135 11.092 -10.276 1.00 0.00 C ATOM 910 CD LYS A 65 19.639 11.109 -10.331 1.00 0.00 C ATOM 911 CE LYS A 65 20.194 12.484 -9.992 1.00 0.00 C ATOM 912 NZ LYS A 65 21.672 12.513 -10.073 1.00 0.00 N ATOM 0 H LYS A 65 15.127 11.966 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 65 16.819 11.939 -13.255 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.417 12.530 -11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.069 12.864 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.794 11.350 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.764 10.090 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.038 10.372 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.971 10.817 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.777 13.223 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.879 12.766 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.993 13.493 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.075 12.135 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.987 11.932 -10.876 1.00 0.00 H new ATOM 926 N LEU A 66 16.162 9.141 -11.708 1.00 0.00 N ATOM 927 CA LEU A 66 16.203 7.693 -11.891 1.00 0.00 C ATOM 928 C LEU A 66 15.496 7.326 -13.191 1.00 0.00 C ATOM 929 O LEU A 66 15.897 6.400 -13.896 1.00 0.00 O ATOM 930 CB LEU A 66 15.554 6.964 -10.702 1.00 0.00 C ATOM 931 CG LEU A 66 16.474 6.656 -9.504 1.00 0.00 C ATOM 932 CD1 LEU A 66 17.557 5.675 -9.892 1.00 0.00 C ATOM 933 CD2 LEU A 66 17.120 7.909 -8.954 1.00 0.00 C ATOM 0 H LEU A 66 15.559 9.454 -10.947 1.00 0.00 H new ATOM 0 HA LEU A 66 17.245 7.377 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.719 7.567 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.137 6.024 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 66 15.843 6.219 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.192 5.474 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.101 4.745 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.160 6.098 -10.696 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.760 7.648 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.719 8.381 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.346 8.601 -8.622 1.00 0.00 H new ATOM 945 N GLN A 67 14.447 8.078 -13.506 1.00 0.00 N ATOM 946 CA GLN A 67 13.746 7.936 -14.778 1.00 0.00 C ATOM 947 C GLN A 67 14.666 8.339 -15.926 1.00 0.00 C ATOM 948 O GLN A 67 14.663 7.722 -16.992 1.00 0.00 O ATOM 949 CB GLN A 67 12.487 8.807 -14.788 1.00 0.00 C ATOM 950 CG GLN A 67 11.708 8.747 -16.092 1.00 0.00 C ATOM 951 CD GLN A 67 10.622 9.799 -16.159 1.00 0.00 C ATOM 952 OE1 GLN A 67 9.489 9.565 -15.747 1.00 0.00 O ATOM 953 NE2 GLN A 67 10.967 10.971 -16.674 1.00 0.00 N ATOM 0 H GLN A 67 14.061 8.797 -12.894 1.00 0.00 H new ATOM 0 HA GLN A 67 13.453 6.894 -14.904 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.835 8.496 -13.972 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.771 9.841 -14.593 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.393 8.881 -16.929 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.261 7.759 -16.201 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.920 11.122 -17.004 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.279 11.721 -16.740 1.00 0.00 H new ATOM 962 N ALA A 68 15.451 9.383 -15.702 1.00 0.00 N ATOM 963 CA ALA A 68 16.404 9.848 -16.695 1.00 0.00 C ATOM 964 C ALA A 68 17.485 8.804 -16.944 1.00 0.00 C ATOM 965 O ALA A 68 17.861 8.555 -18.090 1.00 0.00 O ATOM 966 CB ALA A 68 17.016 11.172 -16.266 1.00 0.00 C ATOM 0 H ALA A 68 15.445 9.925 -14.838 1.00 0.00 H new ATOM 0 HA ALA A 68 15.871 10.005 -17.633 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.727 11.506 -17.021 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.229 11.918 -16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.531 11.043 -15.314 1.00 0.00 H new ATOM 972 N LEU A 69 17.963 8.185 -15.871 1.00 0.00 N ATOM 973 CA LEU A 69 18.941 7.106 -15.978 1.00 0.00 C ATOM 974 C LEU A 69 18.344 5.920 -16.728 1.00 0.00 C ATOM 975 O LEU A 69 19.047 5.214 -17.438 1.00 0.00 O ATOM 976 CB LEU A 69 19.419 6.664 -14.591 1.00 0.00 C ATOM 977 CG LEU A 69 20.205 7.715 -13.804 1.00 0.00 C ATOM 978 CD1 LEU A 69 20.586 7.181 -12.432 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.450 8.137 -14.573 1.00 0.00 C ATOM 0 H LEU A 69 17.689 8.411 -14.915 1.00 0.00 H new ATOM 0 HA LEU A 69 19.799 7.481 -16.536 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.550 6.368 -14.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.043 5.778 -14.705 1.00 0.00 H new ATOM 0 HG LEU A 69 19.568 8.589 -13.670 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.144 7.942 -11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.683 6.927 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.204 6.291 -12.547 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.997 8.885 -13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.088 7.269 -14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.158 8.560 -15.534 1.00 0.00 H new ATOM 991 N ASN A 70 17.038 5.731 -16.572 1.00 0.00 N ATOM 992 CA ASN A 70 16.305 4.672 -17.273 1.00 0.00 C ATOM 993 C ASN A 70 16.435 4.858 -18.782 1.00 0.00 C ATOM 994 O ASN A 70 16.924 3.977 -19.494 1.00 0.00 O ATOM 995 CB ASN A 70 14.827 4.706 -16.832 1.00 0.00 C ATOM 996 CG ASN A 70 13.895 3.750 -17.574 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.030 3.504 -18.769 1.00 0.00 O ATOM 998 ND2 ASN A 70 12.916 3.219 -16.856 1.00 0.00 N ATOM 0 H ASN A 70 16.456 6.303 -15.960 1.00 0.00 H new ATOM 0 HA ASN A 70 16.724 3.698 -17.020 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.779 4.478 -15.767 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.452 5.722 -16.958 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.247 2.586 -17.295 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.831 3.443 -15.865 1.00 0.00 H new ATOM 1005 N MET A 71 16.025 6.026 -19.250 1.00 0.00 N ATOM 1006 CA MET A 71 16.049 6.338 -20.673 1.00 0.00 C ATOM 1007 C MET A 71 17.474 6.363 -21.203 1.00 0.00 C ATOM 1008 O MET A 71 17.754 5.859 -22.292 1.00 0.00 O ATOM 1009 CB MET A 71 15.380 7.686 -20.914 1.00 0.00 C ATOM 1010 CG MET A 71 13.907 7.689 -20.554 1.00 0.00 C ATOM 1011 SD MET A 71 13.157 9.323 -20.675 1.00 0.00 S ATOM 1012 CE MET A 71 14.018 10.167 -19.353 1.00 0.00 C ATOM 0 H MET A 71 15.669 6.779 -18.662 1.00 0.00 H new ATOM 0 HA MET A 71 15.503 5.559 -21.206 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.893 8.450 -20.329 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.493 7.959 -21.963 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.376 7.002 -21.213 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.786 7.314 -19.538 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.561 11.142 -19.186 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.954 9.575 -18.440 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.065 10.299 -19.627 1.00 0.00 H new ATOM 1022 N ARG A 72 18.366 6.955 -20.427 1.00 0.00 N ATOM 1023 CA ARG A 72 19.778 7.024 -20.791 1.00 0.00 C ATOM 1024 C ARG A 72 20.378 5.625 -20.906 1.00 0.00 C ATOM 1025 O ARG A 72 21.104 5.331 -21.853 1.00 0.00 O ATOM 1026 CB ARG A 72 20.556 7.857 -19.771 1.00 0.00 C ATOM 1027 CG ARG A 72 22.042 7.961 -20.074 1.00 0.00 C ATOM 1028 CD ARG A 72 22.741 8.925 -19.130 1.00 0.00 C ATOM 1029 NE ARG A 72 24.179 8.994 -19.391 1.00 0.00 N ATOM 1030 CZ ARG A 72 24.829 10.097 -19.761 1.00 0.00 C ATOM 1031 NH1 ARG A 72 24.173 11.239 -19.952 1.00 0.00 N ATOM 1032 NH2 ARG A 72 26.138 10.051 -19.956 1.00 0.00 N ATOM 0 H ARG A 72 18.140 7.398 -19.536 1.00 0.00 H new ATOM 0 HA ARG A 72 19.854 7.509 -21.764 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.131 8.860 -19.734 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.426 7.419 -18.782 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.500 6.975 -19.993 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.181 8.293 -21.103 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.304 9.918 -19.236 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.573 8.611 -18.100 1.00 0.00 H new ATOM 0 HE ARG A 72 24.722 8.138 -19.282 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.163 11.276 -19.815 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.680 12.077 -20.235 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.643 9.175 -19.823 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.641 10.892 -20.239 1.00 0.00 H new ATOM 1046 N PHE A 73 20.058 4.768 -19.947 1.00 0.00 N ATOM 1047 CA PHE A 73 20.531 3.386 -19.946 1.00 0.00 C ATOM 1048 C PHE A 73 20.068 2.660 -21.205 1.00 0.00 C ATOM 1049 O PHE A 73 20.865 2.010 -21.888 1.00 0.00 O ATOM 1050 CB PHE A 73 20.020 2.675 -18.687 1.00 0.00 C ATOM 1051 CG PHE A 73 20.313 1.202 -18.617 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.615 0.729 -18.671 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.278 0.292 -18.477 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.877 -0.625 -18.583 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.532 -1.061 -18.391 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.833 -1.522 -18.446 1.00 0.00 C ATOM 0 H PHE A 73 19.467 5.006 -19.151 1.00 0.00 H new ATOM 0 HA PHE A 73 21.621 3.379 -19.940 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.459 3.158 -17.814 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.941 2.818 -18.622 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.433 1.426 -18.783 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.259 0.647 -18.435 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.895 -0.982 -18.621 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.715 -1.759 -18.281 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.035 -2.581 -18.382 1.00 0.00 H new ATOM 1066 N ALA A 74 18.787 2.793 -21.515 1.00 0.00 N ATOM 1067 CA ALA A 74 18.214 2.171 -22.698 1.00 0.00 C ATOM 1068 C ALA A 74 18.868 2.683 -23.977 1.00 0.00 C ATOM 1069 O ALA A 74 19.295 1.897 -24.820 1.00 0.00 O ATOM 1070 CB ALA A 74 16.717 2.415 -22.751 1.00 0.00 C ATOM 0 H ALA A 74 18.121 3.330 -20.959 1.00 0.00 H new ATOM 0 HA ALA A 74 18.403 1.100 -22.628 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.303 1.943 -23.642 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.247 1.990 -21.864 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.524 3.487 -22.785 1.00 0.00 H new ATOM 1076 N SER A 75 18.959 4.001 -24.106 1.00 0.00 N ATOM 1077 CA SER A 75 19.495 4.616 -25.315 1.00 0.00 C ATOM 1078 C SER A 75 20.980 4.304 -25.503 1.00 0.00 C ATOM 1079 O SER A 75 21.437 4.117 -26.630 1.00 0.00 O ATOM 1080 CB SER A 75 19.253 6.126 -25.292 1.00 0.00 C ATOM 1081 OG SER A 75 19.611 6.690 -24.043 1.00 0.00 O ATOM 0 H SER A 75 18.669 4.665 -23.388 1.00 0.00 H new ATOM 0 HA SER A 75 18.968 4.188 -26.168 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.831 6.600 -26.086 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.202 6.330 -25.497 1.00 0.00 H new ATOM 0 HG SER A 75 18.859 6.610 -23.420 1.00 0.00 H new ATOM 1087 N SER A 76 21.726 4.229 -24.405 1.00 0.00 N ATOM 1088 CA SER A 76 23.145 3.898 -24.473 1.00 0.00 C ATOM 1089 C SER A 76 23.343 2.487 -25.028 1.00 0.00 C ATOM 1090 O SER A 76 24.231 2.249 -25.846 1.00 0.00 O ATOM 1091 CB SER A 76 23.789 4.025 -23.093 1.00 0.00 C ATOM 1092 OG SER A 76 23.646 5.342 -22.586 1.00 0.00 O ATOM 0 H SER A 76 21.374 4.392 -23.462 1.00 0.00 H new ATOM 0 HA SER A 76 23.630 4.603 -25.148 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.329 3.315 -22.406 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.846 3.768 -23.156 1.00 0.00 H new ATOM 0 HG SER A 76 22.882 5.376 -21.974 1.00 0.00 H new ATOM 1098 N MET A 77 22.500 1.556 -24.590 1.00 0.00 N ATOM 1099 CA MET A 77 22.540 0.196 -25.115 1.00 0.00 C ATOM 1100 C MET A 77 22.039 0.171 -26.550 1.00 0.00 C ATOM 1101 O MET A 77 22.528 -0.596 -27.376 1.00 0.00 O ATOM 1102 CB MET A 77 21.696 -0.754 -24.265 1.00 0.00 C ATOM 1103 CG MET A 77 22.212 -0.938 -22.848 1.00 0.00 C ATOM 1104 SD MET A 77 21.241 -2.133 -21.913 1.00 0.00 S ATOM 1105 CE MET A 77 19.618 -1.381 -21.990 1.00 0.00 C ATOM 0 H MET A 77 21.787 1.717 -23.879 1.00 0.00 H new ATOM 0 HA MET A 77 23.576 -0.140 -25.083 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.674 -0.377 -24.223 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.657 -1.727 -24.756 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.251 -1.266 -22.882 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.197 0.022 -22.331 1.00 0.00 H new ATOM 0 HE1 MET A 77 18.938 -1.914 -21.326 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.685 -0.338 -21.680 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.241 -1.432 -23.012 1.00 0.00 H new ATOM 1115 N ALA A 78 21.067 1.027 -26.838 1.00 0.00 N ATOM 1116 CA ALA A 78 20.501 1.136 -28.175 1.00 0.00 C ATOM 1117 C ALA A 78 21.561 1.541 -29.191 1.00 0.00 C ATOM 1118 O ALA A 78 21.527 1.104 -30.335 1.00 0.00 O ATOM 1119 CB ALA A 78 19.352 2.132 -28.179 1.00 0.00 C ATOM 0 H ALA A 78 20.651 1.661 -26.156 1.00 0.00 H new ATOM 0 HA ALA A 78 20.120 0.156 -28.463 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.937 2.205 -29.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.577 1.796 -27.490 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.717 3.110 -27.866 1.00 0.00 H new ATOM 1125 N GLU A 79 22.502 2.374 -28.763 1.00 0.00 N ATOM 1126 CA GLU A 79 23.609 2.793 -29.617 1.00 0.00 C ATOM 1127 C GLU A 79 24.466 1.599 -30.011 1.00 0.00 C ATOM 1128 O GLU A 79 24.927 1.486 -31.148 1.00 0.00 O ATOM 1129 CB GLU A 79 24.473 3.822 -28.890 1.00 0.00 C ATOM 1130 CG GLU A 79 23.737 5.099 -28.545 1.00 0.00 C ATOM 1131 CD GLU A 79 24.631 6.117 -27.870 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.708 6.423 -28.421 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.275 6.602 -26.777 1.00 0.00 O ATOM 0 H GLU A 79 22.521 2.775 -27.825 1.00 0.00 H new ATOM 0 HA GLU A 79 23.192 3.241 -30.519 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.859 3.377 -27.973 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.334 4.066 -29.513 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.320 5.532 -29.455 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.898 4.866 -27.890 1.00 0.00 H new ATOM 1140 N ILE A 80 24.674 0.713 -29.055 1.00 0.00 N ATOM 1141 CA ILE A 80 25.470 -0.487 -29.273 1.00 0.00 C ATOM 1142 C ILE A 80 24.681 -1.513 -30.080 1.00 0.00 C ATOM 1143 O ILE A 80 25.217 -2.166 -30.974 1.00 0.00 O ATOM 1144 CB ILE A 80 25.906 -1.107 -27.932 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.541 -0.032 -27.050 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.875 -2.257 -28.163 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.835 -0.492 -25.644 1.00 0.00 C ATOM 0 H ILE A 80 24.300 0.801 -28.110 1.00 0.00 H new ATOM 0 HA ILE A 80 26.360 -0.201 -29.833 1.00 0.00 H new ATOM 0 HB ILE A 80 25.028 -1.506 -27.424 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.469 0.304 -27.514 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.875 0.830 -27.008 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.171 -2.682 -27.204 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.391 -3.025 -28.766 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.758 -1.889 -28.685 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.284 0.326 -25.080 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.908 -0.800 -25.161 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.526 -1.335 -25.674 1.00 0.00 H new ATOM 1159 N ALA A 81 23.397 -1.636 -29.770 1.00 0.00 N ATOM 1160 CA ALA A 81 22.516 -2.539 -30.497 1.00 0.00 C ATOM 1161 C ALA A 81 22.294 -2.049 -31.927 1.00 0.00 C ATOM 1162 O ALA A 81 21.913 -2.818 -32.807 1.00 0.00 O ATOM 1163 CB ALA A 81 21.187 -2.681 -29.769 1.00 0.00 C ATOM 0 H ALA A 81 22.942 -1.120 -29.017 1.00 0.00 H new ATOM 0 HA ALA A 81 22.993 -3.518 -30.545 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.539 -3.359 -30.324 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.360 -3.081 -28.770 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.709 -1.705 -29.691 1.00 0.00 H new ATOM 1169 N ALA A 82 22.545 -0.766 -32.147 1.00 0.00 N ATOM 1170 CA ALA A 82 22.437 -0.171 -33.474 1.00 0.00 C ATOM 1171 C ALA A 82 23.580 -0.629 -34.368 1.00 0.00 C ATOM 1172 O ALA A 82 23.562 -0.423 -35.585 1.00 0.00 O ATOM 1173 CB ALA A 82 22.436 1.344 -33.367 1.00 0.00 C ATOM 0 H ALA A 82 22.827 -0.111 -31.417 1.00 0.00 H new ATOM 0 HA ALA A 82 21.499 -0.499 -33.921 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.355 1.779 -34.363 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.589 1.665 -32.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.363 1.676 -32.900 1.00 0.00 H new ATOM 1241 N SER A 89 21.029 -7.667 -37.369 1.00 0.00 N ATOM 1242 CA SER A 89 19.691 -7.847 -36.800 1.00 0.00 C ATOM 1243 C SER A 89 19.515 -7.075 -35.493 1.00 0.00 C ATOM 1244 O SER A 89 20.146 -7.381 -34.477 1.00 0.00 O ATOM 1245 CB SER A 89 19.375 -9.336 -36.588 1.00 0.00 C ATOM 1246 OG SER A 89 18.089 -9.508 -36.012 1.00 0.00 O ATOM 0 HA SER A 89 18.983 -7.440 -37.522 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.423 -9.861 -37.542 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.130 -9.783 -35.941 1.00 0.00 H new ATOM 0 HG SER A 89 18.109 -10.262 -35.386 1.00 0.00 H new ATOM 1252 N LEU A 90 18.660 -6.061 -35.529 1.00 0.00 N ATOM 1253 CA LEU A 90 18.263 -5.349 -34.321 1.00 0.00 C ATOM 1254 C LEU A 90 17.099 -6.074 -33.655 1.00 0.00 C ATOM 1255 O LEU A 90 16.952 -6.052 -32.433 1.00 0.00 O ATOM 1256 CB LEU A 90 17.847 -3.911 -34.649 1.00 0.00 C ATOM 1257 CG LEU A 90 17.334 -3.102 -33.453 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.459 -2.832 -32.470 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.697 -1.801 -33.914 1.00 0.00 C ATOM 0 H LEU A 90 18.227 -5.712 -36.384 1.00 0.00 H new ATOM 0 HA LEU A 90 19.116 -5.320 -33.643 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.701 -3.390 -35.082 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.069 -3.938 -35.412 1.00 0.00 H new ATOM 0 HG LEU A 90 16.570 -3.690 -32.945 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.076 -2.256 -31.627 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.862 -3.778 -32.110 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.248 -2.267 -32.966 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.340 -1.244 -33.048 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.435 -1.205 -34.450 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.858 -2.021 -34.575 1.00 0.00 H new ATOM 1271 N SER A 91 16.302 -6.744 -34.479 1.00 0.00 N ATOM 1272 CA SER A 91 15.092 -7.422 -34.029 1.00 0.00 C ATOM 1273 C SER A 91 15.417 -8.505 -33.001 1.00 0.00 C ATOM 1274 O SER A 91 14.630 -8.778 -32.093 1.00 0.00 O ATOM 1275 CB SER A 91 14.378 -8.031 -35.240 1.00 0.00 C ATOM 1276 OG SER A 91 13.084 -8.502 -34.907 1.00 0.00 O ATOM 0 H SER A 91 16.477 -6.833 -35.480 1.00 0.00 H new ATOM 0 HA SER A 91 14.439 -6.695 -33.546 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.300 -7.284 -36.030 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.973 -8.854 -35.637 1.00 0.00 H new ATOM 0 HG SER A 91 12.659 -8.882 -35.704 1.00 0.00 H new ATOM 1282 N THR A 92 16.583 -9.114 -33.142 1.00 0.00 N ATOM 1283 CA THR A 92 17.016 -10.159 -32.230 1.00 0.00 C ATOM 1284 C THR A 92 17.634 -9.561 -30.960 1.00 0.00 C ATOM 1285 O THR A 92 17.569 -10.148 -29.880 1.00 0.00 O ATOM 1286 CB THR A 92 18.039 -11.074 -32.929 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.516 -11.500 -34.197 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.367 -12.287 -32.074 1.00 0.00 C ATOM 0 H THR A 92 17.250 -8.901 -33.884 1.00 0.00 H new ATOM 0 HA THR A 92 16.142 -10.744 -31.942 1.00 0.00 H new ATOM 0 HB THR A 92 18.958 -10.508 -33.080 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.168 -12.081 -34.642 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.091 -12.914 -32.594 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.787 -11.959 -31.123 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.458 -12.859 -31.891 1.00 0.00 H new ATOM 1296 N LYS A 93 18.196 -8.369 -31.097 1.00 0.00 N ATOM 1297 CA LYS A 93 18.930 -7.727 -30.011 1.00 0.00 C ATOM 1298 C LYS A 93 18.010 -7.232 -28.897 1.00 0.00 C ATOM 1299 O LYS A 93 18.376 -7.277 -27.722 1.00 0.00 O ATOM 1300 CB LYS A 93 19.753 -6.561 -30.555 1.00 0.00 C ATOM 1301 CG LYS A 93 20.954 -6.988 -31.379 1.00 0.00 C ATOM 1302 CD LYS A 93 21.663 -5.784 -31.968 1.00 0.00 C ATOM 1303 CE LYS A 93 22.973 -6.161 -32.640 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.796 -7.248 -33.635 1.00 0.00 N ATOM 0 H LYS A 93 18.158 -7.821 -31.957 1.00 0.00 H new ATOM 0 HA LYS A 93 19.589 -8.480 -29.580 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.110 -5.930 -31.168 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.096 -5.950 -29.720 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.646 -7.553 -30.754 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.632 -7.653 -32.180 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.010 -5.300 -32.694 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.857 -5.057 -31.179 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.393 -5.284 -33.132 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.691 -6.476 -31.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.433 -7.087 -34.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.020 -8.163 -33.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.811 -7.257 -33.968 1.00 0.00 H new ATOM 1318 N THR A 94 16.824 -6.766 -29.262 1.00 0.00 N ATOM 1319 CA THR A 94 15.891 -6.226 -28.284 1.00 0.00 C ATOM 1320 C THR A 94 15.478 -7.289 -27.268 1.00 0.00 C ATOM 1321 O THR A 94 15.529 -7.063 -26.055 1.00 0.00 O ATOM 1322 CB THR A 94 14.645 -5.654 -28.983 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.175 -6.585 -29.967 1.00 0.00 O ATOM 1324 CG2 THR A 94 14.962 -4.322 -29.648 1.00 0.00 C ATOM 0 H THR A 94 16.486 -6.751 -30.224 1.00 0.00 H new ATOM 0 HA THR A 94 16.399 -5.422 -27.751 1.00 0.00 H new ATOM 0 HB THR A 94 13.871 -5.490 -28.233 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.381 -6.220 -30.410 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.067 -3.937 -30.136 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.300 -3.610 -28.895 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.747 -4.464 -30.391 1.00 0.00 H new ATOM 1332 N SER A 95 15.095 -8.455 -27.770 1.00 0.00 N ATOM 1333 CA SER A 95 14.704 -9.569 -26.927 1.00 0.00 C ATOM 1334 C SER A 95 15.913 -10.137 -26.177 1.00 0.00 C ATOM 1335 O SER A 95 15.777 -10.695 -25.086 1.00 0.00 O ATOM 1336 CB SER A 95 14.052 -10.640 -27.799 1.00 0.00 C ATOM 1337 OG SER A 95 13.008 -10.080 -28.584 1.00 0.00 O ATOM 0 H SER A 95 15.048 -8.652 -28.770 1.00 0.00 H new ATOM 0 HA SER A 95 13.990 -9.225 -26.178 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.801 -11.092 -28.449 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.654 -11.436 -27.170 1.00 0.00 H new ATOM 0 HG SER A 95 12.603 -10.780 -29.137 1.00 0.00 H new ATOM 1343 N SER A 96 17.090 -9.969 -26.769 1.00 0.00 N ATOM 1344 CA SER A 96 18.342 -10.439 -26.183 1.00 0.00 C ATOM 1345 C SER A 96 18.610 -9.755 -24.843 1.00 0.00 C ATOM 1346 O SER A 96 18.811 -10.416 -23.821 1.00 0.00 O ATOM 1347 CB SER A 96 19.492 -10.171 -27.162 1.00 0.00 C ATOM 1348 OG SER A 96 20.745 -10.523 -26.610 1.00 0.00 O ATOM 0 H SER A 96 17.204 -9.503 -27.669 1.00 0.00 H new ATOM 0 HA SER A 96 18.265 -11.510 -25.998 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.327 -10.736 -28.079 1.00 0.00 H new ATOM 0 HB3 SER A 96 19.499 -9.116 -27.435 1.00 0.00 H new ATOM 0 HG SER A 96 21.416 -9.859 -26.872 1.00 0.00 H new ATOM 1354 N ILE A 97 18.586 -8.429 -24.848 1.00 0.00 N ATOM 1355 CA ILE A 97 18.862 -7.650 -23.648 1.00 0.00 C ATOM 1356 C ILE A 97 17.837 -7.933 -22.552 1.00 0.00 C ATOM 1357 O ILE A 97 18.191 -8.102 -21.386 1.00 0.00 O ATOM 1358 CB ILE A 97 18.875 -6.137 -23.959 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.975 -5.816 -24.981 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.064 -5.328 -22.682 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.010 -4.363 -25.404 1.00 0.00 C ATOM 0 H ILE A 97 18.377 -7.868 -25.674 1.00 0.00 H new ATOM 0 HA ILE A 97 19.848 -7.950 -23.293 1.00 0.00 H new ATOM 0 HB ILE A 97 17.913 -5.860 -24.391 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.942 -6.085 -24.556 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.831 -6.439 -25.864 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.070 -4.265 -22.922 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.246 -5.539 -21.993 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.011 -5.600 -22.216 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.812 -4.214 -26.126 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.057 -4.094 -25.859 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.186 -3.734 -24.531 1.00 0.00 H new ATOM 1373 N ALA A 98 16.571 -8.015 -22.939 1.00 0.00 N ATOM 1374 CA ALA A 98 15.485 -8.153 -21.974 1.00 0.00 C ATOM 1375 C ALA A 98 15.543 -9.479 -21.220 1.00 0.00 C ATOM 1376 O ALA A 98 15.336 -9.514 -20.006 1.00 0.00 O ATOM 1377 CB ALA A 98 14.146 -7.992 -22.667 1.00 0.00 C ATOM 0 H ALA A 98 16.270 -7.989 -23.913 1.00 0.00 H new ATOM 0 HA ALA A 98 15.605 -7.362 -21.234 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.343 -8.097 -21.937 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.091 -7.006 -23.127 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.040 -8.758 -23.436 1.00 0.00 H new ATOM 1383 N SER A 99 15.843 -10.564 -21.919 1.00 0.00 N ATOM 1384 CA SER A 99 15.854 -11.868 -21.313 1.00 0.00 C ATOM 1385 C SER A 99 17.024 -11.992 -20.350 1.00 0.00 C ATOM 1386 O SER A 99 16.880 -12.479 -19.228 1.00 0.00 O ATOM 1387 CB SER A 99 15.937 -12.903 -22.420 1.00 0.00 C ATOM 1388 OG SER A 99 16.858 -12.500 -23.415 1.00 0.00 O ATOM 0 H SER A 99 16.082 -10.556 -22.911 1.00 0.00 H new ATOM 0 HA SER A 99 14.943 -12.028 -20.736 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.241 -13.864 -22.004 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.952 -13.046 -22.865 1.00 0.00 H new ATOM 0 HG SER A 99 16.376 -12.069 -24.151 1.00 0.00 H new ATOM 1394 N ALA A 100 18.176 -11.518 -20.794 1.00 0.00 N ATOM 1395 CA ALA A 100 19.370 -11.491 -19.962 1.00 0.00 C ATOM 1396 C ALA A 100 19.162 -10.602 -18.740 1.00 0.00 C ATOM 1397 O ALA A 100 19.619 -10.927 -17.647 1.00 0.00 O ATOM 1398 CB ALA A 100 20.564 -11.010 -20.768 1.00 0.00 C ATOM 0 H ALA A 100 18.311 -11.144 -21.733 1.00 0.00 H new ATOM 0 HA ALA A 100 19.566 -12.506 -19.615 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.450 -10.995 -20.133 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.731 -11.684 -21.608 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.369 -10.005 -21.143 1.00 0.00 H new ATOM 1404 N MET A 101 18.470 -9.480 -18.930 1.00 0.00 N ATOM 1405 CA MET A 101 18.171 -8.573 -17.842 1.00 0.00 C ATOM 1406 C MET A 101 17.282 -9.245 -16.803 1.00 0.00 C ATOM 1407 O MET A 101 17.525 -9.136 -15.599 1.00 0.00 O ATOM 1408 CB MET A 101 17.469 -7.333 -18.376 1.00 0.00 C ATOM 1409 CG MET A 101 17.573 -6.169 -17.428 1.00 0.00 C ATOM 1410 SD MET A 101 16.351 -4.880 -17.724 1.00 0.00 S ATOM 1411 CE MET A 101 16.543 -4.647 -19.480 1.00 0.00 C ATOM 0 H MET A 101 18.107 -9.183 -19.836 1.00 0.00 H new ATOM 0 HA MET A 101 19.112 -8.289 -17.370 1.00 0.00 H new ATOM 0 HB2 MET A 101 17.903 -7.057 -19.337 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.418 -7.561 -18.555 1.00 0.00 H new ATOM 0 HG2 MET A 101 17.463 -6.533 -16.407 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.570 -5.736 -17.507 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.931 -3.805 -19.804 1.00 0.00 H new ATOM 0 HE2 MET A 101 17.589 -4.444 -19.708 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.226 -5.549 -20.004 1.00 0.00 H new ATOM 1421 N SER A 102 16.253 -9.936 -17.281 1.00 0.00 N ATOM 1422 CA SER A 102 15.349 -10.678 -16.413 1.00 0.00 C ATOM 1423 C SER A 102 16.128 -11.711 -15.609 1.00 0.00 C ATOM 1424 O SER A 102 15.877 -11.913 -14.422 1.00 0.00 O ATOM 1425 CB SER A 102 14.255 -11.355 -17.252 1.00 0.00 C ATOM 1426 OG SER A 102 13.401 -12.155 -16.450 1.00 0.00 O ATOM 0 H SER A 102 16.024 -9.997 -18.273 1.00 0.00 H new ATOM 0 HA SER A 102 14.873 -9.987 -15.717 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.666 -10.594 -17.765 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.717 -11.973 -18.022 1.00 0.00 H new ATOM 0 HG SER A 102 12.716 -12.570 -17.015 1.00 0.00 H new ATOM 1432 N ASN A 103 17.087 -12.337 -16.267 1.00 0.00 N ATOM 1433 CA ASN A 103 17.948 -13.329 -15.639 1.00 0.00 C ATOM 1434 C ASN A 103 18.868 -12.676 -14.606 1.00 0.00 C ATOM 1435 O ASN A 103 19.116 -13.233 -13.541 1.00 0.00 O ATOM 1436 CB ASN A 103 18.769 -14.030 -16.727 1.00 0.00 C ATOM 1437 CG ASN A 103 19.828 -14.966 -16.184 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.652 -15.601 -15.148 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.942 -15.053 -16.892 1.00 0.00 N ATOM 0 H ASN A 103 17.293 -12.173 -17.253 1.00 0.00 H new ATOM 0 HA ASN A 103 17.334 -14.061 -15.115 1.00 0.00 H new ATOM 0 HB2 ASN A 103 18.095 -14.594 -17.372 1.00 0.00 H new ATOM 0 HB3 ASN A 103 19.249 -13.275 -17.350 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.696 -15.666 -16.583 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.047 -14.507 -17.747 1.00 0.00 H new ATOM 1446 N ALA A 104 19.348 -11.480 -14.921 1.00 0.00 N ATOM 1447 CA ALA A 104 20.274 -10.763 -14.050 1.00 0.00 C ATOM 1448 C ALA A 104 19.627 -10.380 -12.724 1.00 0.00 C ATOM 1449 O ALA A 104 20.184 -10.636 -11.654 1.00 0.00 O ATOM 1450 CB ALA A 104 20.795 -9.525 -14.753 1.00 0.00 C ATOM 0 H ALA A 104 19.110 -10.982 -15.779 1.00 0.00 H new ATOM 0 HA ALA A 104 21.105 -11.433 -13.829 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.485 -8.996 -14.095 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.315 -9.816 -15.666 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.960 -8.871 -15.004 1.00 0.00 H new ATOM 1456 N PHE A 105 18.452 -9.772 -12.793 1.00 0.00 N ATOM 1457 CA PHE A 105 17.749 -9.345 -11.589 1.00 0.00 C ATOM 1458 C PHE A 105 17.321 -10.573 -10.786 1.00 0.00 C ATOM 1459 O PHE A 105 17.228 -10.537 -9.556 1.00 0.00 O ATOM 1460 CB PHE A 105 16.537 -8.486 -11.962 1.00 0.00 C ATOM 1461 CG PHE A 105 16.203 -7.427 -10.943 1.00 0.00 C ATOM 1462 CD1 PHE A 105 17.002 -6.302 -10.808 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.091 -7.549 -10.126 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.697 -5.323 -9.882 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.783 -6.574 -9.197 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.588 -5.460 -9.076 1.00 0.00 C ATOM 0 H PHE A 105 17.966 -9.563 -13.665 1.00 0.00 H new ATOM 0 HA PHE A 105 18.415 -8.740 -10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.726 -8.006 -12.922 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.671 -9.135 -12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 105 17.874 -6.189 -11.435 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.456 -8.418 -10.217 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.327 -4.451 -9.790 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.913 -6.684 -8.566 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.349 -4.696 -8.350 1.00 0.00 H new ATOM 1476 N LEU A 106 17.097 -11.666 -11.506 1.00 0.00 N ATOM 1477 CA LEU A 106 16.756 -12.946 -10.928 1.00 0.00 C ATOM 1478 C LEU A 106 17.871 -13.476 -10.023 1.00 0.00 C ATOM 1479 O LEU A 106 17.616 -14.257 -9.108 1.00 0.00 O ATOM 1480 CB LEU A 106 16.518 -13.907 -12.082 1.00 0.00 C ATOM 1481 CG LEU A 106 15.618 -15.095 -11.809 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.299 -14.638 -11.211 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.388 -15.831 -13.109 1.00 0.00 C ATOM 0 H LEU A 106 17.150 -11.680 -12.525 1.00 0.00 H new ATOM 0 HA LEU A 106 15.868 -12.844 -10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.093 -13.342 -12.912 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.485 -14.283 -12.415 1.00 0.00 H new ATOM 0 HG LEU A 106 16.093 -15.761 -11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.666 -15.505 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.487 -14.114 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.797 -13.967 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.741 -16.690 -12.931 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.913 -15.162 -13.827 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.343 -16.172 -13.508 1.00 0.00 H new ATOM 1495 N GLN A 107 19.105 -13.048 -10.275 1.00 0.00 N ATOM 1496 CA GLN A 107 20.251 -13.559 -9.527 1.00 0.00 C ATOM 1497 C GLN A 107 20.596 -12.665 -8.344 1.00 0.00 C ATOM 1498 O GLN A 107 21.311 -13.082 -7.433 1.00 0.00 O ATOM 1499 CB GLN A 107 21.477 -13.694 -10.435 1.00 0.00 C ATOM 1500 CG GLN A 107 21.199 -14.441 -11.726 1.00 0.00 C ATOM 1501 CD GLN A 107 20.497 -15.766 -11.501 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.708 -16.443 -10.492 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.631 -16.127 -12.429 1.00 0.00 N ATOM 0 H GLN A 107 19.337 -12.354 -10.986 1.00 0.00 H new ATOM 0 HA GLN A 107 19.970 -14.541 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.852 -12.699 -10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.267 -14.210 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.586 -13.817 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.140 -14.618 -12.247 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.487 -15.537 -13.249 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.106 -16.996 -12.327 1.00 0.00 H new ATOM 1512 N THR A 108 20.090 -11.444 -8.352 1.00 0.00 N ATOM 1513 CA THR A 108 20.434 -10.485 -7.321 1.00 0.00 C ATOM 1514 C THR A 108 19.367 -10.440 -6.237 1.00 0.00 C ATOM 1515 O THR A 108 19.669 -10.254 -5.058 1.00 0.00 O ATOM 1516 CB THR A 108 20.622 -9.083 -7.927 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.575 -8.815 -8.869 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.970 -8.967 -8.622 1.00 0.00 C ATOM 0 H THR A 108 19.442 -11.096 -9.059 1.00 0.00 H new ATOM 0 HA THR A 108 21.373 -10.806 -6.869 1.00 0.00 H new ATOM 0 HB THR A 108 20.584 -8.354 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.699 -7.921 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.078 -7.967 -9.042 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.768 -9.146 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.032 -9.705 -9.422 1.00 0.00 H new ATOM 1526 N THR A 109 18.120 -10.620 -6.643 1.00 0.00 N ATOM 1527 CA THR A 109 17.007 -10.552 -5.714 1.00 0.00 C ATOM 1528 C THR A 109 16.219 -11.859 -5.703 1.00 0.00 C ATOM 1529 O THR A 109 15.767 -12.318 -4.654 1.00 0.00 O ATOM 1530 CB THR A 109 16.064 -9.389 -6.086 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.428 -9.656 -7.343 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.841 -8.087 -6.189 1.00 0.00 C ATOM 0 H THR A 109 17.855 -10.814 -7.609 1.00 0.00 H new ATOM 0 HA THR A 109 17.418 -10.382 -4.719 1.00 0.00 H new ATOM 0 HB THR A 109 15.310 -9.296 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 109 16.105 -9.904 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.161 -7.277 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.313 -7.868 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.608 -8.181 -6.958 1.00 0.00 H new ATOM 1540 N GLY A 110 16.068 -12.458 -6.878 1.00 0.00 N ATOM 1541 CA GLY A 110 15.260 -13.652 -7.008 1.00 0.00 C ATOM 1542 C GLY A 110 13.962 -13.353 -7.721 1.00 0.00 C ATOM 1543 O GLY A 110 13.225 -14.261 -8.112 1.00 0.00 O ATOM 0 H GLY A 110 16.494 -12.135 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.814 -14.412 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.050 -14.063 -6.020 1.00 0.00 H new ATOM 1547 N VAL A 111 13.685 -12.068 -7.889 1.00 0.00 N ATOM 1548 CA VAL A 111 12.494 -11.613 -8.584 1.00 0.00 C ATOM 1549 C VAL A 111 12.910 -10.760 -9.771 1.00 0.00 C ATOM 1550 O VAL A 111 14.030 -10.258 -9.808 1.00 0.00 O ATOM 1551 CB VAL A 111 11.575 -10.793 -7.645 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.233 -10.499 -8.301 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.377 -11.513 -6.318 1.00 0.00 C ATOM 0 H VAL A 111 14.280 -11.314 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 111 11.933 -12.484 -8.924 1.00 0.00 H new ATOM 0 HB VAL A 111 12.067 -9.840 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.612 -9.922 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.392 -9.927 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.733 -11.437 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.728 -10.918 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.918 -12.486 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.343 -11.651 -5.831 1.00 0.00 H new ATOM 1563 N VAL A 112 12.038 -10.627 -10.754 1.00 0.00 N ATOM 1564 CA VAL A 112 12.330 -9.800 -11.908 1.00 0.00 C ATOM 1565 C VAL A 112 11.495 -8.525 -11.888 1.00 0.00 C ATOM 1566 O VAL A 112 10.285 -8.570 -11.661 1.00 0.00 O ATOM 1567 CB VAL A 112 12.063 -10.554 -13.228 1.00 0.00 C ATOM 1568 CG1 VAL A 112 12.479 -9.711 -14.424 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.778 -11.895 -13.234 1.00 0.00 C ATOM 0 H VAL A 112 11.124 -11.080 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 112 13.388 -9.545 -11.855 1.00 0.00 H new ATOM 0 HB VAL A 112 10.992 -10.741 -13.304 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.282 -10.262 -15.344 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.910 -8.781 -14.429 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.543 -9.485 -14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.577 -12.410 -14.173 1.00 0.00 H new ATOM 0 HG22 VAL A 112 13.851 -11.736 -13.130 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.419 -12.502 -12.403 1.00 0.00 H new ATOM 1579 N ASN A 113 12.139 -7.387 -12.113 1.00 0.00 N ATOM 1580 CA ASN A 113 11.422 -6.126 -12.217 1.00 0.00 C ATOM 1581 C ASN A 113 10.875 -5.957 -13.628 1.00 0.00 C ATOM 1582 O ASN A 113 11.616 -5.662 -14.566 1.00 0.00 O ATOM 1583 CB ASN A 113 12.325 -4.946 -11.858 1.00 0.00 C ATOM 1584 CG ASN A 113 11.581 -3.623 -11.885 1.00 0.00 C ATOM 1585 OD1 ASN A 113 11.466 -2.986 -12.930 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.067 -3.200 -10.739 1.00 0.00 N ATOM 0 H ASN A 113 13.150 -7.313 -12.226 1.00 0.00 H new ATOM 0 HA ASN A 113 10.594 -6.144 -11.508 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.747 -5.103 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.161 -4.905 -12.557 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.555 -2.318 -10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.183 -3.756 -9.892 1.00 0.00 H new ATOM 1593 N GLN A 114 9.578 -6.168 -13.767 1.00 0.00 N ATOM 1594 CA GLN A 114 8.916 -6.110 -15.064 1.00 0.00 C ATOM 1595 C GLN A 114 8.895 -4.687 -15.654 1.00 0.00 C ATOM 1596 O GLN A 114 9.366 -4.488 -16.773 1.00 0.00 O ATOM 1597 CB GLN A 114 7.486 -6.653 -14.942 1.00 0.00 C ATOM 1598 CG GLN A 114 6.747 -6.774 -16.267 1.00 0.00 C ATOM 1599 CD GLN A 114 7.376 -7.794 -17.197 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.055 -8.978 -17.137 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.255 -7.344 -18.077 1.00 0.00 N ATOM 0 H GLN A 114 8.954 -6.384 -12.990 1.00 0.00 H new ATOM 0 HA GLN A 114 9.491 -6.731 -15.751 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.522 -7.634 -14.468 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.917 -6.000 -14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.711 -7.053 -16.076 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.730 -5.802 -16.759 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.496 -6.353 -18.096 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.692 -7.988 -18.737 1.00 0.00 H new ATOM 1610 N PRO A 115 8.368 -3.680 -14.915 1.00 0.00 N ATOM 1611 CA PRO A 115 8.108 -2.335 -15.464 1.00 0.00 C ATOM 1612 C PRO A 115 9.309 -1.683 -16.152 1.00 0.00 C ATOM 1613 O PRO A 115 9.158 -1.059 -17.202 1.00 0.00 O ATOM 1614 CB PRO A 115 7.691 -1.510 -14.241 1.00 0.00 C ATOM 1615 CG PRO A 115 8.094 -2.320 -13.058 1.00 0.00 C ATOM 1616 CD PRO A 115 7.988 -3.746 -13.493 1.00 0.00 C ATOM 0 HA PRO A 115 7.355 -2.393 -16.250 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.184 -0.538 -14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.617 -1.323 -14.241 1.00 0.00 H new ATOM 0 HG2 PRO A 115 9.110 -2.080 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 115 7.444 -2.121 -12.206 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.656 -4.393 -12.925 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.979 -4.136 -13.361 1.00 0.00 H new ATOM 1624 N PHE A 116 10.499 -1.826 -15.579 1.00 0.00 N ATOM 1625 CA PHE A 116 11.675 -1.174 -16.135 1.00 0.00 C ATOM 1626 C PHE A 116 12.085 -1.837 -17.435 1.00 0.00 C ATOM 1627 O PHE A 116 12.480 -1.160 -18.384 1.00 0.00 O ATOM 1628 CB PHE A 116 12.836 -1.169 -15.137 1.00 0.00 C ATOM 1629 CG PHE A 116 12.791 -0.012 -14.176 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.885 0.010 -13.127 1.00 0.00 C ATOM 1631 CD2 PHE A 116 13.658 1.057 -14.326 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.841 1.080 -12.252 1.00 0.00 C ATOM 1633 CE2 PHE A 116 13.621 2.127 -13.455 1.00 0.00 C ATOM 1634 CZ PHE A 116 12.713 2.138 -12.416 1.00 0.00 C ATOM 0 H PHE A 116 10.672 -2.380 -14.741 1.00 0.00 H new ATOM 0 HA PHE A 116 11.415 -0.136 -16.343 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.825 -2.101 -14.573 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.777 -1.140 -15.686 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.205 -0.818 -12.991 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.373 1.054 -15.136 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.126 1.088 -11.442 1.00 0.00 H new ATOM 0 HE2 PHE A 116 14.302 2.955 -13.586 1.00 0.00 H new ATOM 0 HZ PHE A 116 12.684 2.973 -11.732 1.00 0.00 H new ATOM 1644 N ILE A 117 11.957 -3.156 -17.499 1.00 0.00 N ATOM 1645 CA ILE A 117 12.280 -3.873 -18.720 1.00 0.00 C ATOM 1646 C ILE A 117 11.335 -3.448 -19.837 1.00 0.00 C ATOM 1647 O ILE A 117 11.743 -3.299 -20.992 1.00 0.00 O ATOM 1648 CB ILE A 117 12.228 -5.408 -18.542 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.213 -5.844 -17.449 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.536 -6.108 -19.863 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.602 -7.305 -17.514 1.00 0.00 C ATOM 0 H ILE A 117 11.636 -3.743 -16.729 1.00 0.00 H new ATOM 0 HA ILE A 117 13.306 -3.615 -18.981 1.00 0.00 H new ATOM 0 HB ILE A 117 11.222 -5.695 -18.234 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.114 -5.236 -17.524 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.771 -5.640 -16.474 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.495 -7.188 -19.721 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.801 -5.813 -20.611 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.532 -5.824 -20.202 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.300 -7.532 -16.708 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.711 -7.924 -17.408 1.00 0.00 H new ATOM 0 HD13 ILE A 117 14.076 -7.513 -18.473 1.00 0.00 H new ATOM 1663 N ASN A 118 10.077 -3.231 -19.476 1.00 0.00 N ATOM 1664 CA ASN A 118 9.074 -2.725 -20.411 1.00 0.00 C ATOM 1665 C ASN A 118 9.543 -1.424 -21.048 1.00 0.00 C ATOM 1666 O ASN A 118 9.526 -1.273 -22.268 1.00 0.00 O ATOM 1667 CB ASN A 118 7.746 -2.472 -19.688 1.00 0.00 C ATOM 1668 CG ASN A 118 7.071 -3.739 -19.205 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.711 -4.763 -18.984 1.00 0.00 O ATOM 1670 ND2 ASN A 118 5.766 -3.665 -19.009 1.00 0.00 N ATOM 0 H ASN A 118 9.722 -3.399 -18.534 1.00 0.00 H new ATOM 0 HA ASN A 118 8.931 -3.478 -21.186 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.925 -1.817 -18.835 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.070 -1.943 -20.360 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.256 -4.477 -18.662 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.269 -2.796 -19.204 1.00 0.00 H new ATOM 1677 N GLU A 119 9.978 -0.496 -20.206 1.00 0.00 N ATOM 1678 CA GLU A 119 10.398 0.821 -20.660 1.00 0.00 C ATOM 1679 C GLU A 119 11.686 0.750 -21.477 1.00 0.00 C ATOM 1680 O GLU A 119 11.741 1.262 -22.596 1.00 0.00 O ATOM 1681 CB GLU A 119 10.574 1.757 -19.463 1.00 0.00 C ATOM 1682 CG GLU A 119 9.300 1.935 -18.655 1.00 0.00 C ATOM 1683 CD GLU A 119 9.445 2.951 -17.544 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.476 4.162 -17.849 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.522 2.545 -16.366 1.00 0.00 O ATOM 0 H GLU A 119 10.049 -0.634 -19.198 1.00 0.00 H new ATOM 0 HA GLU A 119 9.618 1.216 -21.311 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.357 1.365 -18.814 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.912 2.731 -19.817 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.494 2.244 -19.320 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.010 0.975 -18.227 1.00 0.00 H new ATOM 1692 N ILE A 120 12.713 0.108 -20.922 1.00 0.00 N ATOM 1693 CA ILE A 120 14.007 0.006 -21.589 1.00 0.00 C ATOM 1694 C ILE A 120 13.881 -0.589 -22.997 1.00 0.00 C ATOM 1695 O ILE A 120 14.398 -0.019 -23.957 1.00 0.00 O ATOM 1696 CB ILE A 120 15.021 -0.820 -20.747 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.753 0.070 -19.731 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.039 -1.526 -21.635 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.897 0.584 -18.595 1.00 0.00 C ATOM 0 H ILE A 120 12.672 -0.349 -20.011 1.00 0.00 H new ATOM 0 HA ILE A 120 14.387 1.023 -21.685 1.00 0.00 H new ATOM 0 HB ILE A 120 14.447 -1.574 -20.208 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.586 -0.494 -19.311 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.179 0.923 -20.259 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.732 -2.094 -21.014 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.522 -2.204 -22.314 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.593 -0.786 -22.213 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.504 1.201 -17.933 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.078 1.180 -18.997 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.491 -0.259 -18.035 1.00 0.00 H new ATOM 1711 N THR A 121 13.167 -1.707 -23.124 1.00 0.00 N ATOM 1712 CA THR A 121 13.075 -2.419 -24.400 1.00 0.00 C ATOM 1713 C THR A 121 12.501 -1.540 -25.507 1.00 0.00 C ATOM 1714 O THR A 121 13.019 -1.521 -26.627 1.00 0.00 O ATOM 1715 CB THR A 121 12.217 -3.692 -24.279 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.987 -3.394 -23.608 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.968 -4.778 -23.529 1.00 0.00 C ATOM 0 H THR A 121 12.645 -2.139 -22.362 1.00 0.00 H new ATOM 0 HA THR A 121 14.096 -2.696 -24.663 1.00 0.00 H new ATOM 0 HB THR A 121 11.998 -4.055 -25.283 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.118 -3.463 -22.639 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.343 -5.668 -23.455 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.885 -5.022 -24.065 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.215 -4.424 -22.528 1.00 0.00 H new ATOM 1725 N GLN A 122 11.446 -0.797 -25.185 1.00 0.00 N ATOM 1726 CA GLN A 122 10.786 0.054 -26.169 1.00 0.00 C ATOM 1727 C GLN A 122 11.735 1.143 -26.650 1.00 0.00 C ATOM 1728 O GLN A 122 11.766 1.484 -27.832 1.00 0.00 O ATOM 1729 CB GLN A 122 9.519 0.694 -25.591 1.00 0.00 C ATOM 1730 CG GLN A 122 8.530 -0.299 -24.991 1.00 0.00 C ATOM 1731 CD GLN A 122 8.261 -1.497 -25.884 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.395 -1.455 -26.759 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.972 -2.589 -25.644 1.00 0.00 N ATOM 0 H GLN A 122 11.031 -0.767 -24.254 1.00 0.00 H new ATOM 0 HA GLN A 122 10.501 -0.576 -27.012 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.807 1.411 -24.822 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.018 1.256 -26.379 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.914 -0.649 -24.033 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.589 0.213 -24.790 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.681 -2.585 -24.911 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.811 -3.434 -26.193 1.00 0.00 H new ATOM 1742 N LEU A 123 12.527 1.666 -25.723 1.00 0.00 N ATOM 1743 CA LEU A 123 13.473 2.728 -26.029 1.00 0.00 C ATOM 1744 C LEU A 123 14.673 2.181 -26.794 1.00 0.00 C ATOM 1745 O LEU A 123 15.251 2.880 -27.620 1.00 0.00 O ATOM 1746 CB LEU A 123 13.926 3.421 -24.745 1.00 0.00 C ATOM 1747 CG LEU A 123 12.798 3.928 -23.842 1.00 0.00 C ATOM 1748 CD1 LEU A 123 13.361 4.495 -22.550 1.00 0.00 C ATOM 1749 CD2 LEU A 123 11.960 4.977 -24.559 1.00 0.00 C ATOM 0 H LEU A 123 12.532 1.369 -24.747 1.00 0.00 H new ATOM 0 HA LEU A 123 12.973 3.461 -26.662 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.541 2.726 -24.174 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.562 4.265 -25.012 1.00 0.00 H new ATOM 0 HG LEU A 123 12.154 3.083 -23.599 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.544 4.850 -21.922 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.913 3.718 -22.022 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.030 5.325 -22.778 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.165 5.322 -23.898 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.592 5.820 -24.837 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.521 4.541 -25.457 1.00 0.00 H new ATOM 1761 N VAL A 124 15.041 0.932 -26.523 1.00 0.00 N ATOM 1762 CA VAL A 124 16.102 0.270 -27.279 1.00 0.00 C ATOM 1763 C VAL A 124 15.699 0.145 -28.742 1.00 0.00 C ATOM 1764 O VAL A 124 16.439 0.543 -29.639 1.00 0.00 O ATOM 1765 CB VAL A 124 16.427 -1.138 -26.726 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.452 -1.844 -27.604 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.939 -1.053 -25.298 1.00 0.00 C ATOM 0 H VAL A 124 14.623 0.359 -25.789 1.00 0.00 H new ATOM 0 HA VAL A 124 16.995 0.887 -27.180 1.00 0.00 H new ATOM 0 HB VAL A 124 15.504 -1.718 -26.733 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.664 -2.832 -27.194 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.056 -1.948 -28.614 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.371 -1.259 -27.633 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.161 -2.055 -24.931 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.845 -0.448 -25.272 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.179 -0.595 -24.666 1.00 0.00 H new ATOM 1777 N SER A 125 14.502 -0.383 -28.964 1.00 0.00 N ATOM 1778 CA SER A 125 13.976 -0.592 -30.308 1.00 0.00 C ATOM 1779 C SER A 125 13.789 0.749 -31.027 1.00 0.00 C ATOM 1780 O SER A 125 13.763 0.818 -32.258 1.00 0.00 O ATOM 1781 CB SER A 125 12.642 -1.342 -30.208 1.00 0.00 C ATOM 1782 OG SER A 125 12.318 -2.021 -31.414 1.00 0.00 O ATOM 0 H SER A 125 13.870 -0.678 -28.220 1.00 0.00 H new ATOM 0 HA SER A 125 14.683 -1.185 -30.888 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.691 -2.061 -29.390 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.847 -0.637 -29.965 1.00 0.00 H new ATOM 0 HG SER A 125 11.462 -2.487 -31.307 1.00 0.00 H new ATOM 1788 N MET A 126 13.668 1.805 -30.240 1.00 0.00 N ATOM 1789 CA MET A 126 13.462 3.146 -30.762 1.00 0.00 C ATOM 1790 C MET A 126 14.790 3.847 -31.054 1.00 0.00 C ATOM 1791 O MET A 126 15.116 4.136 -32.204 1.00 0.00 O ATOM 1792 CB MET A 126 12.668 3.968 -29.749 1.00 0.00 C ATOM 1793 CG MET A 126 12.236 5.325 -30.265 1.00 0.00 C ATOM 1794 SD MET A 126 11.698 6.431 -28.945 1.00 0.00 S ATOM 1795 CE MET A 126 10.632 5.341 -28.006 1.00 0.00 C ATOM 0 H MET A 126 13.710 1.757 -29.222 1.00 0.00 H new ATOM 0 HA MET A 126 12.910 3.063 -31.698 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.784 3.405 -29.452 1.00 0.00 H new ATOM 0 HB3 MET A 126 13.274 4.106 -28.853 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.064 5.785 -30.804 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.423 5.196 -30.980 1.00 0.00 H new ATOM 0 HE1 MET A 126 10.193 5.890 -27.173 1.00 0.00 H new ATOM 0 HE2 MET A 126 9.838 4.964 -28.651 1.00 0.00 H new ATOM 0 HE3 MET A 126 11.215 4.504 -27.621 1.00 0.00 H new ATOM 1805 N PHE A 127 15.555 4.090 -29.995 1.00 0.00 N ATOM 1806 CA PHE A 127 16.752 4.925 -30.066 1.00 0.00 C ATOM 1807 C PHE A 127 17.876 4.280 -30.873 1.00 0.00 C ATOM 1808 O PHE A 127 18.818 4.961 -31.281 1.00 0.00 O ATOM 1809 CB PHE A 127 17.248 5.253 -28.657 1.00 0.00 C ATOM 1810 CG PHE A 127 16.363 6.203 -27.902 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.003 7.425 -28.450 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.899 5.877 -26.639 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.193 8.301 -27.751 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.091 6.749 -25.936 1.00 0.00 C ATOM 1815 CZ PHE A 127 14.737 7.962 -26.492 1.00 0.00 C ATOM 0 H PHE A 127 15.365 3.716 -29.065 1.00 0.00 H new ATOM 0 HA PHE A 127 16.468 5.841 -30.585 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.336 4.327 -28.090 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.248 5.681 -28.726 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.359 7.695 -29.433 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.172 4.930 -26.198 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.917 9.249 -28.189 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.736 6.482 -24.952 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.105 8.645 -25.944 1.00 0.00 H new ATOM 1825 N ALA A 128 17.788 2.976 -31.101 1.00 0.00 N ATOM 1826 CA ALA A 128 18.790 2.281 -31.901 1.00 0.00 C ATOM 1827 C ALA A 128 18.823 2.841 -33.319 1.00 0.00 C ATOM 1828 O ALA A 128 19.882 2.963 -33.933 1.00 0.00 O ATOM 1829 CB ALA A 128 18.512 0.788 -31.931 1.00 0.00 C ATOM 0 H ALA A 128 17.039 2.381 -30.747 1.00 0.00 H new ATOM 0 HA ALA A 128 19.765 2.441 -31.440 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.271 0.289 -32.533 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.536 0.393 -30.915 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.529 0.610 -32.366 1.00 0.00 H new ATOM 1835 N GLN A 129 17.658 3.225 -33.818 1.00 0.00 N ATOM 1836 CA GLN A 129 17.539 3.741 -35.173 1.00 0.00 C ATOM 1837 C GLN A 129 18.006 5.193 -35.257 1.00 0.00 C ATOM 1838 O GLN A 129 17.936 5.818 -36.313 1.00 0.00 O ATOM 1839 CB GLN A 129 16.096 3.610 -35.647 1.00 0.00 C ATOM 1840 CG GLN A 129 15.621 2.170 -35.685 1.00 0.00 C ATOM 1841 CD GLN A 129 14.170 2.038 -36.097 1.00 0.00 C ATOM 1842 OE1 GLN A 129 13.641 2.871 -36.832 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.524 0.981 -35.631 1.00 0.00 N ATOM 0 H GLN A 129 16.779 3.189 -33.303 1.00 0.00 H new ATOM 0 HA GLN A 129 18.184 3.153 -35.826 1.00 0.00 H new ATOM 0 HB2 GLN A 129 15.447 4.185 -34.986 1.00 0.00 H new ATOM 0 HB3 GLN A 129 16.004 4.045 -36.642 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.243 1.606 -36.380 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.756 1.722 -34.700 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.004 0.317 -35.024 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.546 0.831 -35.879 1.00 0.00 H new