USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 854 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 86 TYR OH : rot 30:sc= 0.747 USER MOD Set 1.2: A 121 LYS NZ :NH3+ 165:sc= 0.851 (180deg=-0.129) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.2 K(o=0.00052,f=-4.7) USER MOD Set 2.2: A 81 SER OG : rot 87:sc= 0.2 USER MOD Set 3.1: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 70 MET CE :methyl 173:sc= 0 (180deg=-0.0764) USER MOD Set 4.1: A 16 MET CE :methyl -179:sc= -4.21! (180deg=-4.21!) USER MOD Set 4.2: A 19 THR OG1 : rot 75:sc= 0.656 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 11 ASN : amide:sc= -0.0468 K(o=-0.047,f=-3.6!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 17 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 20 ASN : amide:sc= 0.843 K(o=0.84,f=-0.16) USER MOD Single : A 21 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.2) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.488 F(o=-1.6,f=-0.49) USER MOD Single : A 27 SER OG : rot 84:sc= 1.25 USER MOD Single : A 29 SER OG : rot -95:sc= 0.938 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 37 MET CE :methyl -178:sc= 0 (180deg=-0.00333) USER MOD Single : A 40 MET CE :methyl -138:sc= -0.155 (180deg=-0.931) USER MOD Single : A 42 MET CE :methyl 178:sc= -1.46 (180deg=-1.51) USER MOD Single : A 43 MET CE :methyl -146:sc= -0.306 (180deg=-1.88) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.104 F(o=-0.79,f=-0.1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0377 K(o=-0.038,f=-0.65) USER MOD Single : A 51 MET CE :methyl -103:sc= -3.25! (180deg=-3.95!) USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 171:sc= -1.24 (180deg=-1.37) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 61 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.23) USER MOD Single : A 66 MET CE :methyl -137:sc= -0.26 (180deg=-2.1!) USER MOD Single : A 67 ASN : amide:sc= 2.52 K(o=2.5,f=-4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00463 K(o=-0.0046,f=-1.2) USER MOD Single : A 85 SER OG : rot 180:sc= -0.11 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.2 X(o=0.2,f=-0.27) USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 100 SER OG : rot 82:sc= 1.28 USER MOD Single : A 101 MET CE :methyl -137:sc= -0.177 (180deg=-0.651) USER MOD Single : A 102 MET CE :methyl -156:sc= -0.56 (180deg=-1.68!) USER MOD Single : A 103 GLN : amide:sc= -0.255 K(o=-0.26,f=-1) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 3:sc= 0.957 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 122:sc= 1.32 USER MOD Single : A 114 ASN : amide:sc=-0.000338 X(o=-0.00034,f=0) USER MOD Single : A 117 MET CE :methyl -162:sc= -0.931 (180deg=-1.76!) USER MOD Single : A 118 GLN : amide:sc= -1.6! C(o=-1.6!,f=-6.8!) USER MOD Single : A 122 MET CE :methyl -167:sc= -1.99 (180deg=-2.29) USER MOD Single : A 124 SER OG : rot 85:sc= 0.278 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 9.614 8.580 -4.776 1.00 0.00 N ATOM 82 CA ILE A 8 8.703 9.301 -3.890 1.00 0.00 C ATOM 83 C ILE A 8 8.056 10.507 -4.591 1.00 0.00 C ATOM 84 O ILE A 8 7.142 11.138 -4.059 1.00 0.00 O ATOM 85 CB ILE A 8 9.453 9.756 -2.610 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.506 10.446 -1.620 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.610 10.682 -2.967 1.00 0.00 C ATOM 88 CD1 ILE A 8 9.106 10.659 -0.248 1.00 0.00 C ATOM 0 HA ILE A 8 7.900 8.618 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 8 9.852 8.864 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.208 11.411 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.600 9.848 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.124 10.990 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.309 10.157 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.226 11.562 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.377 11.152 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.379 9.696 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.995 11.283 -0.333 1.00 0.00 H new ATOM 100 N TRP A 9 8.500 10.798 -5.809 1.00 0.00 N ATOM 101 CA TRP A 9 7.995 11.953 -6.556 1.00 0.00 C ATOM 102 C TRP A 9 6.627 11.662 -7.181 1.00 0.00 C ATOM 103 O TRP A 9 6.180 12.382 -8.070 1.00 0.00 O ATOM 104 CB TRP A 9 8.980 12.350 -7.660 1.00 0.00 C ATOM 105 CG TRP A 9 10.378 12.601 -7.180 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.432 11.744 -7.272 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.879 13.786 -6.548 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.556 12.314 -6.733 1.00 0.00 N ATOM 109 CE2 TRP A 9 12.246 13.569 -6.284 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.309 15.008 -6.180 1.00 0.00 C ATOM 111 CZ2 TRP A 9 13.045 14.527 -5.667 1.00 0.00 C ATOM 112 CZ3 TRP A 9 11.105 15.959 -5.570 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.462 15.714 -5.320 1.00 0.00 C ATOM 0 H TRP A 9 9.207 10.253 -6.303 1.00 0.00 H new ATOM 0 HA TRP A 9 7.887 12.775 -5.848 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.003 11.561 -8.411 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.611 13.249 -8.154 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.389 10.757 -7.707 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.474 11.874 -6.676 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.264 15.206 -6.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 14.090 14.339 -5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.674 16.906 -5.281 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.059 16.478 -4.844 1.00 0.00 H new ATOM 124 N THR A 10 5.963 10.620 -6.707 1.00 0.00 N ATOM 125 CA THR A 10 4.673 10.227 -7.247 1.00 0.00 C ATOM 126 C THR A 10 3.538 11.080 -6.683 1.00 0.00 C ATOM 127 O THR A 10 2.475 11.201 -7.298 1.00 0.00 O ATOM 128 CB THR A 10 4.397 8.745 -6.965 1.00 0.00 C ATOM 129 OG1 THR A 10 5.075 8.344 -5.762 1.00 0.00 O ATOM 130 CG2 THR A 10 4.845 7.883 -8.135 1.00 0.00 C ATOM 0 H THR A 10 6.299 10.029 -5.946 1.00 0.00 H new ATOM 0 HA THR A 10 4.714 10.387 -8.324 1.00 0.00 H new ATOM 0 HB THR A 10 3.324 8.608 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.894 7.397 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.640 6.835 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.302 8.178 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.914 8.017 -8.297 1.00 0.00 H new ATOM 138 N ASN A 11 3.768 11.672 -5.519 1.00 0.00 N ATOM 139 CA ASN A 11 2.777 12.532 -4.892 1.00 0.00 C ATOM 140 C ASN A 11 3.425 13.825 -4.428 1.00 0.00 C ATOM 141 O ASN A 11 4.289 13.817 -3.548 1.00 0.00 O ATOM 142 CB ASN A 11 2.094 11.822 -3.718 1.00 0.00 C ATOM 143 CG ASN A 11 1.106 12.714 -2.981 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.553 13.661 -3.542 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.863 12.403 -1.718 1.00 0.00 N ATOM 0 H ASN A 11 4.634 11.571 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 11 2.012 12.767 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.573 10.939 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.854 11.474 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.198 12.955 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.340 11.611 -1.287 1.00 0.00 H new ATOM 152 N PRO A 12 3.021 14.948 -5.039 1.00 0.00 N ATOM 153 CA PRO A 12 3.546 16.276 -4.718 1.00 0.00 C ATOM 154 C PRO A 12 3.599 16.566 -3.221 1.00 0.00 C ATOM 155 O PRO A 12 4.602 17.075 -2.714 1.00 0.00 O ATOM 156 CB PRO A 12 2.562 17.219 -5.407 1.00 0.00 C ATOM 157 CG PRO A 12 2.048 16.443 -6.568 1.00 0.00 C ATOM 158 CD PRO A 12 2.032 14.999 -6.134 1.00 0.00 C ATOM 0 HA PRO A 12 4.579 16.382 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.754 17.509 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.053 18.137 -5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.049 16.777 -6.848 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.686 16.580 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.042 14.695 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.306 14.333 -6.952 1.00 0.00 H new ATOM 166 N ASN A 13 2.530 16.238 -2.511 1.00 0.00 N ATOM 167 CA ASN A 13 2.468 16.497 -1.077 1.00 0.00 C ATOM 168 C ASN A 13 3.519 15.674 -0.340 1.00 0.00 C ATOM 169 O ASN A 13 4.191 16.172 0.562 1.00 0.00 O ATOM 170 CB ASN A 13 1.077 16.182 -0.523 1.00 0.00 C ATOM 171 CG ASN A 13 0.954 16.531 0.951 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.261 15.719 1.822 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.486 17.735 1.242 1.00 0.00 N ATOM 0 H ASN A 13 1.698 15.795 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 13 2.671 17.556 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.328 16.736 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.863 15.122 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.370 18.015 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.242 18.382 0.492 1.00 0.00 H new ATOM 180 N ALA A 14 3.680 14.427 -0.763 1.00 0.00 N ATOM 181 CA ALA A 14 4.605 13.504 -0.115 1.00 0.00 C ATOM 182 C ALA A 14 6.044 13.946 -0.330 1.00 0.00 C ATOM 183 O ALA A 14 6.847 13.975 0.606 1.00 0.00 O ATOM 184 CB ALA A 14 4.405 12.097 -0.651 1.00 0.00 C ATOM 0 H ALA A 14 3.179 14.029 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 14 4.399 13.507 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.101 11.418 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.383 11.774 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.587 12.088 -1.726 1.00 0.00 H new ATOM 190 N ALA A 15 6.354 14.304 -1.567 1.00 0.00 N ATOM 191 CA ALA A 15 7.686 14.763 -1.925 1.00 0.00 C ATOM 192 C ALA A 15 8.021 16.053 -1.192 1.00 0.00 C ATOM 193 O ALA A 15 9.085 16.179 -0.594 1.00 0.00 O ATOM 194 CB ALA A 15 7.790 14.958 -3.429 1.00 0.00 C ATOM 0 H ALA A 15 5.695 14.285 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 15 8.408 14.003 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.793 15.302 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.592 14.012 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.060 15.700 -3.751 1.00 0.00 H new ATOM 200 N MET A 16 7.088 16.999 -1.214 1.00 0.00 N ATOM 201 CA MET A 16 7.282 18.275 -0.545 1.00 0.00 C ATOM 202 C MET A 16 7.454 18.088 0.958 1.00 0.00 C ATOM 203 O MET A 16 8.126 18.883 1.615 1.00 0.00 O ATOM 204 CB MET A 16 6.108 19.206 -0.828 1.00 0.00 C ATOM 205 CG MET A 16 6.455 20.402 -1.701 1.00 0.00 C ATOM 206 SD MET A 16 7.699 21.494 -0.974 1.00 0.00 S ATOM 207 CE MET A 16 9.196 20.941 -1.795 1.00 0.00 C ATOM 0 H MET A 16 6.190 16.904 -1.689 1.00 0.00 H new ATOM 0 HA MET A 16 8.194 18.725 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.315 18.635 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.708 19.566 0.120 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.817 20.044 -2.665 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.548 20.976 -1.894 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.046 21.517 -1.428 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.356 19.883 -1.585 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.096 21.087 -2.871 1.00 0.00 H new ATOM 217 N THR A 17 6.856 17.031 1.495 1.00 0.00 N ATOM 218 CA THR A 17 6.975 16.735 2.913 1.00 0.00 C ATOM 219 C THR A 17 8.437 16.502 3.298 1.00 0.00 C ATOM 220 O THR A 17 8.944 17.119 4.236 1.00 0.00 O ATOM 221 CB THR A 17 6.134 15.502 3.320 1.00 0.00 C ATOM 222 OG1 THR A 17 4.744 15.740 3.063 1.00 0.00 O ATOM 223 CG2 THR A 17 6.325 15.178 4.796 1.00 0.00 C ATOM 0 H THR A 17 6.286 16.368 0.970 1.00 0.00 H new ATOM 0 HA THR A 17 6.591 17.603 3.449 1.00 0.00 H new ATOM 0 HB THR A 17 6.474 14.654 2.725 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.541 15.519 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.724 14.308 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.376 14.964 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.012 16.030 5.399 1.00 0.00 H new ATOM 231 N MET A 18 9.127 15.642 2.554 1.00 0.00 N ATOM 232 CA MET A 18 10.505 15.297 2.895 1.00 0.00 C ATOM 233 C MET A 18 11.458 16.448 2.591 1.00 0.00 C ATOM 234 O MET A 18 12.470 16.617 3.272 1.00 0.00 O ATOM 235 CB MET A 18 10.953 13.992 2.206 1.00 0.00 C ATOM 236 CG MET A 18 10.791 13.957 0.693 1.00 0.00 C ATOM 237 SD MET A 18 12.102 14.820 -0.196 1.00 0.00 S ATOM 238 CE MET A 18 11.717 14.345 -1.879 1.00 0.00 C ATOM 0 H MET A 18 8.762 15.177 1.723 1.00 0.00 H new ATOM 0 HA MET A 18 10.539 15.120 3.970 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.002 13.818 2.445 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.387 13.164 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.763 12.918 0.363 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.831 14.401 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.438 14.798 -2.559 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.764 13.260 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.714 14.687 -2.133 1.00 0.00 H new ATOM 248 N THR A 19 11.123 17.258 1.596 1.00 0.00 N ATOM 249 CA THR A 19 11.926 18.425 1.273 1.00 0.00 C ATOM 250 C THR A 19 11.864 19.454 2.409 1.00 0.00 C ATOM 251 O THR A 19 12.886 20.005 2.823 1.00 0.00 O ATOM 252 CB THR A 19 11.442 19.076 -0.034 1.00 0.00 C ATOM 253 OG1 THR A 19 11.181 18.067 -1.018 1.00 0.00 O ATOM 254 CG2 THR A 19 12.478 20.048 -0.572 1.00 0.00 C ATOM 0 H THR A 19 10.304 17.128 1.002 1.00 0.00 H new ATOM 0 HA THR A 19 12.957 18.095 1.144 1.00 0.00 H new ATOM 0 HB THR A 19 10.525 19.625 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.343 17.607 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.112 20.495 -1.496 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.658 20.832 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.408 19.516 -0.770 1.00 0.00 H new ATOM 262 N ASN A 20 10.657 19.687 2.925 1.00 0.00 N ATOM 263 CA ASN A 20 10.455 20.650 4.003 1.00 0.00 C ATOM 264 C ASN A 20 11.062 20.156 5.307 1.00 0.00 C ATOM 265 O ASN A 20 11.700 20.924 6.030 1.00 0.00 O ATOM 266 CB ASN A 20 8.967 20.940 4.210 1.00 0.00 C ATOM 267 CG ASN A 20 8.432 21.987 3.253 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.493 23.186 3.525 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.895 21.542 2.133 1.00 0.00 N ATOM 0 H ASN A 20 9.805 19.221 2.612 1.00 0.00 H new ATOM 0 HA ASN A 20 10.959 21.571 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.401 20.017 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.806 21.275 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.511 22.200 1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.864 20.540 1.945 1.00 0.00 H new ATOM 276 N ASN A 21 10.871 18.873 5.602 1.00 0.00 N ATOM 277 CA ASN A 21 11.400 18.292 6.829 1.00 0.00 C ATOM 278 C ASN A 21 12.920 18.385 6.861 1.00 0.00 C ATOM 279 O ASN A 21 13.521 18.564 7.921 1.00 0.00 O ATOM 280 CB ASN A 21 10.963 16.832 6.978 1.00 0.00 C ATOM 281 CG ASN A 21 9.485 16.684 7.295 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.865 17.574 7.873 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.912 15.547 6.930 1.00 0.00 N ATOM 0 H ASN A 21 10.357 18.220 5.011 1.00 0.00 H new ATOM 0 HA ASN A 21 10.996 18.862 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.187 16.296 6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.547 16.363 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.924 15.388 7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.459 14.831 6.452 1.00 0.00 H new ATOM 290 N LEU A 22 13.540 18.278 5.692 1.00 0.00 N ATOM 291 CA LEU A 22 14.984 18.406 5.578 1.00 0.00 C ATOM 292 C LEU A 22 15.421 19.809 5.978 1.00 0.00 C ATOM 293 O LEU A 22 16.351 19.985 6.769 1.00 0.00 O ATOM 294 CB LEU A 22 15.433 18.112 4.145 1.00 0.00 C ATOM 295 CG LEU A 22 16.934 18.262 3.888 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.719 17.208 4.652 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.229 18.185 2.396 1.00 0.00 C ATOM 0 H LEU A 22 13.062 18.102 4.808 1.00 0.00 H new ATOM 0 HA LEU A 22 15.449 17.684 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.137 17.094 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.897 18.778 3.469 1.00 0.00 H new ATOM 0 HG LEU A 22 17.249 19.242 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.784 17.333 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.532 17.319 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.405 16.215 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.301 18.294 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.898 17.221 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.699 18.985 1.879 1.00 0.00 H new ATOM 309 N VAL A 23 14.729 20.803 5.437 1.00 0.00 N ATOM 310 CA VAL A 23 15.046 22.196 5.709 1.00 0.00 C ATOM 311 C VAL A 23 14.819 22.531 7.179 1.00 0.00 C ATOM 312 O VAL A 23 15.665 23.161 7.813 1.00 0.00 O ATOM 313 CB VAL A 23 14.205 23.148 4.829 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.538 24.605 5.125 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.422 22.839 3.357 1.00 0.00 C ATOM 0 H VAL A 23 13.941 20.668 4.804 1.00 0.00 H new ATOM 0 HA VAL A 23 16.100 22.337 5.469 1.00 0.00 H new ATOM 0 HB VAL A 23 13.153 22.989 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.932 25.253 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.327 24.821 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.594 24.785 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.823 23.518 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.476 22.966 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 23 14.123 21.811 3.153 1.00 0.00 H new ATOM 325 N GLN A 24 13.692 22.085 7.728 1.00 0.00 N ATOM 326 CA GLN A 24 13.358 22.397 9.113 1.00 0.00 C ATOM 327 C GLN A 24 14.343 21.716 10.065 1.00 0.00 C ATOM 328 O GLN A 24 14.709 22.273 11.098 1.00 0.00 O ATOM 329 CB GLN A 24 11.913 21.993 9.438 1.00 0.00 C ATOM 330 CG GLN A 24 11.706 20.500 9.639 1.00 0.00 C ATOM 331 CD GLN A 24 10.252 20.130 9.858 1.00 0.00 C ATOM 332 OE1 GLN A 24 9.344 20.878 9.249 1.00 0.00 O flip ATOM 333 NE2 GLN A 24 9.945 19.168 10.562 1.00 0.00 N flip ATOM 0 H GLN A 24 13.002 21.513 7.241 1.00 0.00 H new ATOM 0 HA GLN A 24 13.438 23.476 9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.597 22.516 10.341 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.264 22.332 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.084 19.965 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.293 20.169 10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.672 18.615 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.963 18.924 10.692 1.00 0.00 H new ATOM 342 N CYS A 25 14.791 20.521 9.692 1.00 0.00 N ATOM 343 CA CYS A 25 15.765 19.784 10.485 1.00 0.00 C ATOM 344 C CYS A 25 17.111 20.501 10.455 1.00 0.00 C ATOM 345 O CYS A 25 17.784 20.632 11.478 1.00 0.00 O ATOM 346 CB CYS A 25 15.910 18.357 9.945 1.00 0.00 C ATOM 347 SG CYS A 25 16.996 17.272 10.934 1.00 0.00 S ATOM 0 H CYS A 25 14.493 20.042 8.842 1.00 0.00 H new ATOM 0 HA CYS A 25 15.418 19.733 11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.921 17.903 9.888 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.298 18.406 8.928 1.00 0.00 H new ATOM 352 N ALA A 26 17.481 20.999 9.278 1.00 0.00 N ATOM 353 CA ALA A 26 18.734 21.719 9.113 1.00 0.00 C ATOM 354 C ALA A 26 18.689 23.082 9.797 1.00 0.00 C ATOM 355 O ALA A 26 19.721 23.614 10.201 1.00 0.00 O ATOM 356 CB ALA A 26 19.059 21.884 7.638 1.00 0.00 C ATOM 0 H ALA A 26 16.928 20.915 8.425 1.00 0.00 H new ATOM 0 HA ALA A 26 19.519 21.131 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.999 22.425 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.150 20.902 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.261 22.444 7.150 1.00 0.00 H new ATOM 362 N SER A 27 17.493 23.639 9.926 1.00 0.00 N ATOM 363 CA SER A 27 17.318 24.922 10.594 1.00 0.00 C ATOM 364 C SER A 27 17.413 24.764 12.111 1.00 0.00 C ATOM 365 O SER A 27 17.855 25.666 12.817 1.00 0.00 O ATOM 366 CB SER A 27 15.970 25.535 10.214 1.00 0.00 C ATOM 367 OG SER A 27 15.846 25.659 8.805 1.00 0.00 O ATOM 0 H SER A 27 16.629 23.223 9.577 1.00 0.00 H new ATOM 0 HA SER A 27 18.117 25.588 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.162 24.914 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.868 26.515 10.679 1.00 0.00 H new ATOM 0 HG SER A 27 15.542 24.807 8.427 1.00 0.00 H new ATOM 373 N ARG A 28 17.018 23.599 12.603 1.00 0.00 N ATOM 374 CA ARG A 28 17.036 23.322 14.033 1.00 0.00 C ATOM 375 C ARG A 28 18.284 22.527 14.394 1.00 0.00 C ATOM 376 O ARG A 28 18.371 21.942 15.471 1.00 0.00 O ATOM 377 CB ARG A 28 15.779 22.541 14.427 1.00 0.00 C ATOM 378 CG ARG A 28 14.488 23.335 14.280 1.00 0.00 C ATOM 379 CD ARG A 28 14.113 24.077 15.558 1.00 0.00 C ATOM 380 NE ARG A 28 15.139 25.026 15.989 1.00 0.00 N ATOM 381 CZ ARG A 28 15.095 26.335 15.737 1.00 0.00 C ATOM 382 NH1 ARG A 28 14.124 26.839 14.983 1.00 0.00 N ATOM 383 NH2 ARG A 28 16.026 27.140 16.239 1.00 0.00 N ATOM 0 H ARG A 28 16.679 22.826 12.030 1.00 0.00 H new ATOM 0 HA ARG A 28 17.051 24.265 14.579 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.714 21.643 13.813 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.876 22.213 15.462 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.596 24.051 13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.678 22.659 14.005 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.176 24.610 15.400 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.938 23.353 16.354 1.00 0.00 H new ATOM 0 HE ARG A 28 15.936 24.665 16.514 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.409 26.224 14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.094 27.841 14.793 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.774 26.757 16.817 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.992 28.141 16.046 1.00 0.00 H new ATOM 397 N SER A 29 19.250 22.515 13.485 1.00 0.00 N ATOM 398 CA SER A 29 20.470 21.753 13.681 1.00 0.00 C ATOM 399 C SER A 29 21.366 22.421 14.718 1.00 0.00 C ATOM 400 O SER A 29 21.829 21.781 15.662 1.00 0.00 O ATOM 401 CB SER A 29 21.223 21.610 12.356 1.00 0.00 C ATOM 402 OG SER A 29 21.621 22.876 11.850 1.00 0.00 O ATOM 0 H SER A 29 19.209 23.027 12.604 1.00 0.00 H new ATOM 0 HA SER A 29 20.198 20.763 14.046 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.101 20.981 12.500 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.588 21.108 11.626 1.00 0.00 H new ATOM 0 HG SER A 29 20.952 23.197 11.210 1.00 0.00 H new ATOM 408 N GLY A 30 21.600 23.714 14.532 1.00 0.00 N ATOM 409 CA GLY A 30 22.513 24.441 15.391 1.00 0.00 C ATOM 410 C GLY A 30 23.920 24.422 14.829 1.00 0.00 C ATOM 411 O GLY A 30 24.835 25.033 15.379 1.00 0.00 O ATOM 0 H GLY A 30 21.170 24.275 13.796 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.174 25.472 15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.510 23.999 16.388 1.00 0.00 H new ATOM 415 N VAL A 31 24.079 23.712 13.721 1.00 0.00 N ATOM 416 CA VAL A 31 25.372 23.564 13.072 1.00 0.00 C ATOM 417 C VAL A 31 25.485 24.518 11.889 1.00 0.00 C ATOM 418 O VAL A 31 26.540 25.106 11.644 1.00 0.00 O ATOM 419 CB VAL A 31 25.579 22.115 12.578 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.951 21.947 11.940 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.396 21.129 13.721 1.00 0.00 C ATOM 0 H VAL A 31 23.318 23.224 13.249 1.00 0.00 H new ATOM 0 HA VAL A 31 26.142 23.802 13.806 1.00 0.00 H new ATOM 0 HB VAL A 31 24.826 21.906 11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.071 20.918 11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.042 22.622 11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.724 22.180 12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.546 20.114 13.353 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.123 21.342 14.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.388 21.223 14.125 1.00 0.00 H new ATOM 431 N LEU A 32 24.385 24.672 11.165 1.00 0.00 N ATOM 432 CA LEU A 32 24.350 25.530 9.990 1.00 0.00 C ATOM 433 C LEU A 32 24.284 27.002 10.388 1.00 0.00 C ATOM 434 O LEU A 32 23.965 27.336 11.532 1.00 0.00 O ATOM 435 CB LEU A 32 23.149 25.184 9.097 1.00 0.00 C ATOM 436 CG LEU A 32 23.298 23.933 8.220 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.343 22.665 9.058 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.165 23.867 7.208 1.00 0.00 C ATOM 0 H LEU A 32 23.500 24.210 11.373 1.00 0.00 H new ATOM 0 HA LEU A 32 25.270 25.358 9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.274 25.054 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 32 22.947 26.036 8.448 1.00 0.00 H new ATOM 0 HG LEU A 32 24.246 24.006 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.449 21.800 8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.192 22.710 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.421 22.575 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.280 22.976 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.211 23.824 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 32 22.191 24.753 6.574 1.00 0.00 H new ATOM 450 N THR A 33 24.592 27.874 9.443 1.00 0.00 N ATOM 451 CA THR A 33 24.490 29.306 9.662 1.00 0.00 C ATOM 452 C THR A 33 23.136 29.801 9.183 1.00 0.00 C ATOM 453 O THR A 33 22.427 29.085 8.477 1.00 0.00 O ATOM 454 CB THR A 33 25.596 30.071 8.906 1.00 0.00 C ATOM 455 OG1 THR A 33 25.466 29.851 7.494 1.00 0.00 O ATOM 456 CG2 THR A 33 26.972 29.622 9.358 1.00 0.00 C ATOM 0 H THR A 33 24.916 27.613 8.512 1.00 0.00 H new ATOM 0 HA THR A 33 24.606 29.490 10.730 1.00 0.00 H new ATOM 0 HB THR A 33 25.484 31.133 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.170 30.341 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.734 30.176 8.810 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.084 29.811 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.089 28.556 9.164 1.00 0.00 H new ATOM 464 N ALA A 34 22.780 31.022 9.558 1.00 0.00 N ATOM 465 CA ALA A 34 21.543 31.626 9.092 1.00 0.00 C ATOM 466 C ALA A 34 21.558 31.739 7.572 1.00 0.00 C ATOM 467 O ALA A 34 20.530 31.589 6.916 1.00 0.00 O ATOM 468 CB ALA A 34 21.343 32.993 9.729 1.00 0.00 C ATOM 0 H ALA A 34 23.330 31.611 10.183 1.00 0.00 H new ATOM 0 HA ALA A 34 20.709 30.989 9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.412 33.430 9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.298 32.886 10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.176 33.644 9.463 1.00 0.00 H new ATOM 474 N ASP A 35 22.748 31.974 7.022 1.00 0.00 N ATOM 475 CA ASP A 35 22.928 32.059 5.576 1.00 0.00 C ATOM 476 C ASP A 35 22.673 30.697 4.953 1.00 0.00 C ATOM 477 O ASP A 35 21.921 30.564 3.988 1.00 0.00 O ATOM 478 CB ASP A 35 24.354 32.507 5.230 1.00 0.00 C ATOM 479 CG ASP A 35 24.732 33.833 5.852 1.00 0.00 C ATOM 480 OD1 ASP A 35 25.139 33.846 7.034 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.652 34.865 5.157 1.00 0.00 O ATOM 0 H ASP A 35 23.604 32.109 7.559 1.00 0.00 H new ATOM 0 HA ASP A 35 22.223 32.791 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.058 31.744 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.452 32.581 4.147 1.00 0.00 H new ATOM 486 N GLN A 36 23.292 29.688 5.548 1.00 0.00 N ATOM 487 CA GLN A 36 23.219 28.321 5.058 1.00 0.00 C ATOM 488 C GLN A 36 21.783 27.793 5.140 1.00 0.00 C ATOM 489 O GLN A 36 21.327 27.070 4.257 1.00 0.00 O ATOM 490 CB GLN A 36 24.170 27.455 5.886 1.00 0.00 C ATOM 491 CG GLN A 36 24.590 26.154 5.228 1.00 0.00 C ATOM 492 CD GLN A 36 25.715 25.479 5.987 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.829 25.619 7.206 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.566 24.765 5.275 1.00 0.00 N ATOM 0 H GLN A 36 23.861 29.796 6.388 1.00 0.00 H new ATOM 0 HA GLN A 36 23.517 28.288 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.064 28.036 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.692 27.225 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.734 25.482 5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.908 26.350 4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.437 24.673 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.353 24.305 5.732 1.00 0.00 H new ATOM 503 N MET A 37 21.071 28.175 6.199 1.00 0.00 N ATOM 504 CA MET A 37 19.674 27.774 6.368 1.00 0.00 C ATOM 505 C MET A 37 18.784 28.461 5.338 1.00 0.00 C ATOM 506 O MET A 37 17.849 27.858 4.811 1.00 0.00 O ATOM 507 CB MET A 37 19.164 28.118 7.771 1.00 0.00 C ATOM 508 CG MET A 37 19.897 27.420 8.892 1.00 0.00 C ATOM 509 SD MET A 37 19.222 27.864 10.500 1.00 0.00 S ATOM 510 CE MET A 37 20.706 27.835 11.486 1.00 0.00 C ATOM 0 H MET A 37 21.436 28.760 6.951 1.00 0.00 H new ATOM 0 HA MET A 37 19.631 26.694 6.226 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.242 29.195 7.918 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.106 27.864 7.832 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.831 26.341 8.754 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.954 27.682 8.855 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.457 28.055 12.524 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.165 26.848 11.424 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.405 28.584 11.114 1.00 0.00 H new ATOM 520 N ASP A 38 19.080 29.724 5.054 1.00 0.00 N ATOM 521 CA ASP A 38 18.261 30.513 4.138 1.00 0.00 C ATOM 522 C ASP A 38 18.343 29.954 2.723 1.00 0.00 C ATOM 523 O ASP A 38 17.332 29.858 2.022 1.00 0.00 O ATOM 524 CB ASP A 38 18.698 31.978 4.147 1.00 0.00 C ATOM 525 CG ASP A 38 17.710 32.877 3.433 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.721 33.304 4.069 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.906 33.156 2.235 1.00 0.00 O ATOM 0 H ASP A 38 19.879 30.224 5.443 1.00 0.00 H new ATOM 0 HA ASP A 38 17.227 30.454 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.813 32.314 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.675 32.066 3.672 1.00 0.00 H new ATOM 532 N ASP A 39 19.543 29.564 2.313 1.00 0.00 N ATOM 533 CA ASP A 39 19.742 28.992 0.985 1.00 0.00 C ATOM 534 C ASP A 39 19.065 27.626 0.899 1.00 0.00 C ATOM 535 O ASP A 39 18.576 27.229 -0.156 1.00 0.00 O ATOM 536 CB ASP A 39 21.234 28.882 0.659 1.00 0.00 C ATOM 537 CG ASP A 39 21.497 28.569 -0.806 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.047 29.346 -1.670 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.188 27.572 -1.098 1.00 0.00 O ATOM 0 H ASP A 39 20.390 29.632 2.877 1.00 0.00 H new ATOM 0 HA ASP A 39 19.288 29.653 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.728 29.818 0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.680 28.103 1.278 1.00 0.00 H new ATOM 544 N MET A 40 19.021 26.919 2.031 1.00 0.00 N ATOM 545 CA MET A 40 18.260 25.673 2.136 1.00 0.00 C ATOM 546 C MET A 40 16.789 25.927 1.823 1.00 0.00 C ATOM 547 O MET A 40 16.137 25.141 1.134 1.00 0.00 O ATOM 548 CB MET A 40 18.387 25.071 3.541 1.00 0.00 C ATOM 549 CG MET A 40 19.712 24.370 3.803 1.00 0.00 C ATOM 550 SD MET A 40 19.849 22.790 2.941 1.00 0.00 S ATOM 551 CE MET A 40 18.564 21.846 3.759 1.00 0.00 C ATOM 0 H MET A 40 19.504 27.189 2.888 1.00 0.00 H new ATOM 0 HA MET A 40 18.669 24.966 1.414 1.00 0.00 H new ATOM 0 HB2 MET A 40 18.257 25.864 4.277 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.576 24.359 3.693 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.530 25.020 3.492 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.825 24.205 4.875 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.923 20.836 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.303 22.327 4.702 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.683 21.800 3.119 1.00 0.00 H new ATOM 561 N GLY A 41 16.274 27.037 2.335 1.00 0.00 N ATOM 562 CA GLY A 41 14.904 27.412 2.065 1.00 0.00 C ATOM 563 C GLY A 41 14.686 27.740 0.600 1.00 0.00 C ATOM 564 O GLY A 41 13.692 27.327 0.007 1.00 0.00 O ATOM 0 H GLY A 41 16.785 27.685 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.240 26.598 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.637 28.276 2.674 1.00 0.00 H new ATOM 568 N MET A 42 15.631 28.467 0.010 1.00 0.00 N ATOM 569 CA MET A 42 15.553 28.822 -1.405 1.00 0.00 C ATOM 570 C MET A 42 15.673 27.573 -2.278 1.00 0.00 C ATOM 571 O MET A 42 15.091 27.498 -3.361 1.00 0.00 O ATOM 572 CB MET A 42 16.641 29.835 -1.776 1.00 0.00 C ATOM 573 CG MET A 42 16.501 31.166 -1.051 1.00 0.00 C ATOM 574 SD MET A 42 17.572 32.455 -1.722 1.00 0.00 S ATOM 575 CE MET A 42 19.191 31.811 -1.314 1.00 0.00 C ATOM 0 H MET A 42 16.459 28.822 0.489 1.00 0.00 H new ATOM 0 HA MET A 42 14.581 29.282 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.618 29.407 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.612 30.011 -2.851 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.464 31.497 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.732 31.024 0.005 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.958 32.484 -1.698 1.00 0.00 H new ATOM 0 HE2 MET A 42 19.288 31.730 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 42 19.315 30.826 -1.764 1.00 0.00 H new ATOM 585 N MET A 43 16.432 26.598 -1.793 1.00 0.00 N ATOM 586 CA MET A 43 16.549 25.306 -2.449 1.00 0.00 C ATOM 587 C MET A 43 15.181 24.636 -2.528 1.00 0.00 C ATOM 588 O MET A 43 14.697 24.317 -3.616 1.00 0.00 O ATOM 589 CB MET A 43 17.551 24.428 -1.681 1.00 0.00 C ATOM 590 CG MET A 43 17.723 23.016 -2.230 1.00 0.00 C ATOM 591 SD MET A 43 16.429 21.871 -1.704 1.00 0.00 S ATOM 592 CE MET A 43 16.626 21.915 0.077 1.00 0.00 C ATOM 0 H MET A 43 16.981 26.682 -0.937 1.00 0.00 H new ATOM 0 HA MET A 43 16.917 25.443 -3.466 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.522 24.923 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.230 24.361 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.738 23.058 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.691 22.628 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.398 20.933 0.493 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.653 22.184 0.323 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.946 22.655 0.500 1.00 0.00 H new ATOM 602 N ALA A 44 14.548 24.463 -1.369 1.00 0.00 N ATOM 603 CA ALA A 44 13.240 23.823 -1.290 1.00 0.00 C ATOM 604 C ALA A 44 12.193 24.614 -2.064 1.00 0.00 C ATOM 605 O ALA A 44 11.281 24.033 -2.657 1.00 0.00 O ATOM 606 CB ALA A 44 12.813 23.672 0.161 1.00 0.00 C ATOM 0 H ALA A 44 14.924 24.760 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 44 13.322 22.834 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.835 23.193 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.541 23.059 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.756 24.655 0.628 1.00 0.00 H new ATOM 612 N ASP A 45 12.342 25.939 -2.047 1.00 0.00 N ATOM 613 CA ASP A 45 11.450 26.852 -2.768 1.00 0.00 C ATOM 614 C ASP A 45 11.308 26.443 -4.229 1.00 0.00 C ATOM 615 O ASP A 45 10.200 26.334 -4.754 1.00 0.00 O ATOM 616 CB ASP A 45 12.007 28.279 -2.683 1.00 0.00 C ATOM 617 CG ASP A 45 11.170 29.298 -3.431 1.00 0.00 C ATOM 618 OD1 ASP A 45 11.333 29.425 -4.663 1.00 0.00 O ATOM 619 OD2 ASP A 45 10.362 29.995 -2.785 1.00 0.00 O ATOM 0 H ASP A 45 13.085 26.412 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 45 10.464 26.808 -2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.074 28.573 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.021 28.290 -3.082 1.00 0.00 H new ATOM 624 N SER A 46 12.439 26.193 -4.872 1.00 0.00 N ATOM 625 CA SER A 46 12.455 25.833 -6.280 1.00 0.00 C ATOM 626 C SER A 46 11.944 24.407 -6.486 1.00 0.00 C ATOM 627 O SER A 46 11.292 24.113 -7.488 1.00 0.00 O ATOM 628 CB SER A 46 13.875 25.979 -6.834 1.00 0.00 C ATOM 629 OG SER A 46 13.923 25.704 -8.222 1.00 0.00 O ATOM 0 H SER A 46 13.361 26.233 -4.438 1.00 0.00 H new ATOM 0 HA SER A 46 11.790 26.507 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.236 26.991 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.544 25.301 -6.305 1.00 0.00 H new ATOM 0 HG SER A 46 14.843 25.808 -8.544 1.00 0.00 H new ATOM 635 N VAL A 47 12.226 23.530 -5.522 1.00 0.00 N ATOM 636 CA VAL A 47 11.854 22.121 -5.630 1.00 0.00 C ATOM 637 C VAL A 47 10.355 21.948 -5.851 1.00 0.00 C ATOM 638 O VAL A 47 9.940 21.263 -6.784 1.00 0.00 O ATOM 639 CB VAL A 47 12.279 21.310 -4.383 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.821 19.860 -4.492 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.785 21.368 -4.197 1.00 0.00 C ATOM 0 H VAL A 47 12.711 23.772 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 47 12.389 21.736 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 47 11.799 21.758 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.133 19.312 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.735 19.827 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.268 19.403 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.065 20.792 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.276 20.949 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.096 22.405 -4.067 1.00 0.00 H new ATOM 651 N ASN A 48 9.540 22.582 -5.010 1.00 0.00 N ATOM 652 CA ASN A 48 8.096 22.419 -5.104 1.00 0.00 C ATOM 653 C ASN A 48 7.558 23.004 -6.401 1.00 0.00 C ATOM 654 O ASN A 48 6.596 22.486 -6.958 1.00 0.00 O ATOM 655 CB ASN A 48 7.368 23.031 -3.900 1.00 0.00 C ATOM 656 CG ASN A 48 7.690 24.490 -3.658 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.638 24.743 -2.770 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.072 25.381 -4.237 1.00 0.00 N flip ATOM 0 H ASN A 48 9.852 23.205 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 48 7.900 21.347 -5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.293 22.927 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.623 22.461 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.348 25.142 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.283 26.359 -4.040 1.00 0.00 H new ATOM 665 N SER A 49 8.189 24.060 -6.893 1.00 0.00 N ATOM 666 CA SER A 49 7.760 24.682 -8.137 1.00 0.00 C ATOM 667 C SER A 49 7.856 23.682 -9.294 1.00 0.00 C ATOM 668 O SER A 49 6.871 23.423 -9.985 1.00 0.00 O ATOM 669 CB SER A 49 8.606 25.929 -8.427 1.00 0.00 C ATOM 670 OG SER A 49 8.146 26.609 -9.583 1.00 0.00 O ATOM 0 H SER A 49 8.996 24.502 -6.453 1.00 0.00 H new ATOM 0 HA SER A 49 6.719 24.988 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.572 26.601 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.648 25.640 -8.564 1.00 0.00 H new ATOM 0 HG SER A 49 8.703 27.399 -9.741 1.00 0.00 H new ATOM 676 N GLN A 50 9.031 23.093 -9.474 1.00 0.00 N ATOM 677 CA GLN A 50 9.257 22.163 -10.578 1.00 0.00 C ATOM 678 C GLN A 50 8.572 20.813 -10.347 1.00 0.00 C ATOM 679 O GLN A 50 8.118 20.175 -11.292 1.00 0.00 O ATOM 680 CB GLN A 50 10.752 21.975 -10.831 1.00 0.00 C ATOM 681 CG GLN A 50 11.554 21.807 -9.563 1.00 0.00 C ATOM 682 CD GLN A 50 13.024 21.555 -9.823 1.00 0.00 C ATOM 683 OE1 GLN A 50 13.398 20.958 -10.833 1.00 0.00 O ATOM 684 NE2 GLN A 50 13.869 22.014 -8.915 1.00 0.00 N ATOM 0 H GLN A 50 9.842 23.241 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 50 8.805 22.604 -11.466 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.899 21.101 -11.465 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.132 22.836 -11.382 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.447 22.702 -8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.145 20.977 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.517 22.503 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.873 21.879 -9.038 1.00 0.00 H new ATOM 693 N MET A 51 8.486 20.391 -9.091 1.00 0.00 N ATOM 694 CA MET A 51 7.878 19.112 -8.751 1.00 0.00 C ATOM 695 C MET A 51 6.356 19.149 -8.913 1.00 0.00 C ATOM 696 O MET A 51 5.757 18.192 -9.398 1.00 0.00 O ATOM 697 CB MET A 51 8.274 18.716 -7.323 1.00 0.00 C ATOM 698 CG MET A 51 7.648 17.420 -6.828 1.00 0.00 C ATOM 699 SD MET A 51 6.040 17.671 -6.055 1.00 0.00 S ATOM 700 CE MET A 51 6.501 18.663 -4.640 1.00 0.00 C ATOM 0 H MET A 51 8.831 20.919 -8.289 1.00 0.00 H new ATOM 0 HA MET A 51 8.251 18.358 -9.444 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.359 18.622 -7.274 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.993 19.522 -6.645 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.540 16.731 -7.666 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.320 16.948 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.504 18.041 -3.745 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.496 19.079 -4.796 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.784 19.475 -4.516 1.00 0.00 H new ATOM 710 N GLN A 52 5.730 20.255 -8.521 1.00 0.00 N ATOM 711 CA GLN A 52 4.282 20.390 -8.670 1.00 0.00 C ATOM 712 C GLN A 52 3.911 20.581 -10.136 1.00 0.00 C ATOM 713 O GLN A 52 2.897 20.064 -10.604 1.00 0.00 O ATOM 714 CB GLN A 52 3.747 21.558 -7.839 1.00 0.00 C ATOM 715 CG GLN A 52 3.825 21.334 -6.335 1.00 0.00 C ATOM 716 CD GLN A 52 3.308 22.519 -5.540 1.00 0.00 C ATOM 717 OE1 GLN A 52 3.455 23.713 -6.093 1.00 0.00 O flip ATOM 718 NE2 GLN A 52 2.789 22.365 -4.432 1.00 0.00 N flip ATOM 0 H GLN A 52 6.194 21.062 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 52 3.823 19.471 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.308 22.458 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.709 21.742 -8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.249 20.447 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.860 21.136 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.693 21.428 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.455 23.174 -3.908 1.00 0.00 H new ATOM 727 N LYS A 53 4.749 21.311 -10.863 1.00 0.00 N ATOM 728 CA LYS A 53 4.524 21.553 -12.280 1.00 0.00 C ATOM 729 C LYS A 53 5.004 20.376 -13.124 1.00 0.00 C ATOM 730 O LYS A 53 5.081 20.468 -14.350 1.00 0.00 O ATOM 731 CB LYS A 53 5.231 22.833 -12.707 1.00 0.00 C ATOM 732 CG LYS A 53 4.624 24.089 -12.101 1.00 0.00 C ATOM 733 CD LYS A 53 5.483 25.309 -12.383 1.00 0.00 C ATOM 734 CE LYS A 53 5.712 25.503 -13.873 1.00 0.00 C ATOM 735 NZ LYS A 53 6.566 26.687 -14.159 1.00 0.00 N ATOM 0 H LYS A 53 5.593 21.746 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 53 3.452 21.665 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.281 22.772 -12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.200 22.911 -13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.624 24.244 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.515 23.960 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.002 26.196 -11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.443 25.203 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.181 24.610 -14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.751 25.620 -14.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.696 26.781 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.107 27.544 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.493 26.565 -13.703 1.00 0.00 H new ATOM 749 N MET A 54 5.317 19.268 -12.463 1.00 0.00 N ATOM 750 CA MET A 54 5.720 18.054 -13.152 1.00 0.00 C ATOM 751 C MET A 54 4.493 17.361 -13.747 1.00 0.00 C ATOM 752 O MET A 54 4.601 16.573 -14.689 1.00 0.00 O ATOM 753 CB MET A 54 6.482 17.133 -12.190 1.00 0.00 C ATOM 754 CG MET A 54 6.931 15.821 -12.804 1.00 0.00 C ATOM 755 SD MET A 54 8.417 15.155 -12.021 1.00 0.00 S ATOM 756 CE MET A 54 7.948 15.101 -10.293 1.00 0.00 C ATOM 0 H MET A 54 5.298 19.188 -11.446 1.00 0.00 H new ATOM 0 HA MET A 54 6.392 18.305 -13.973 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.357 17.663 -11.815 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.847 16.919 -11.331 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.125 15.092 -12.722 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.121 15.969 -13.867 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.709 14.565 -9.726 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.858 16.117 -9.909 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.991 14.588 -10.191 1.00 0.00 H new ATOM 766 N GLY A 55 3.322 17.680 -13.199 1.00 0.00 N ATOM 767 CA GLY A 55 2.075 17.226 -13.784 1.00 0.00 C ATOM 768 C GLY A 55 1.436 16.078 -13.028 1.00 0.00 C ATOM 769 O GLY A 55 2.129 15.292 -12.383 1.00 0.00 O ATOM 0 H GLY A 55 3.217 18.247 -12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.375 18.061 -13.821 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.257 16.917 -14.813 1.00 0.00 H new ATOM 773 N PRO A 56 0.098 15.970 -13.080 1.00 0.00 N ATOM 774 CA PRO A 56 -0.629 14.840 -12.500 1.00 0.00 C ATOM 775 C PRO A 56 -0.355 13.558 -13.275 1.00 0.00 C ATOM 776 O PRO A 56 -0.460 13.539 -14.505 1.00 0.00 O ATOM 777 CB PRO A 56 -2.098 15.250 -12.626 1.00 0.00 C ATOM 778 CG PRO A 56 -2.126 16.217 -13.758 1.00 0.00 C ATOM 779 CD PRO A 56 -0.811 16.947 -13.710 1.00 0.00 C ATOM 0 HA PRO A 56 -0.334 14.634 -11.471 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.734 14.388 -12.826 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.462 15.707 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.251 15.701 -14.710 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.961 16.910 -13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.471 17.228 -14.707 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.882 17.865 -13.126 1.00 0.00 H new ATOM 787 N ASN A 57 -0.026 12.492 -12.548 1.00 0.00 N ATOM 788 CA ASN A 57 0.458 11.252 -13.157 1.00 0.00 C ATOM 789 C ASN A 57 1.727 11.550 -13.948 1.00 0.00 C ATOM 790 O ASN A 57 1.705 11.636 -15.177 1.00 0.00 O ATOM 791 CB ASN A 57 -0.599 10.605 -14.063 1.00 0.00 C ATOM 792 CG ASN A 57 -1.788 10.062 -13.294 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.790 8.910 -12.861 1.00 0.00 O ATOM 794 ND2 ASN A 57 -2.816 10.879 -13.133 1.00 0.00 N ATOM 0 H ASN A 57 -0.086 12.461 -11.530 1.00 0.00 H new ATOM 0 HA ASN A 57 0.673 10.539 -12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.948 11.341 -14.788 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.138 9.795 -14.628 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.648 10.561 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.777 11.827 -13.506 1.00 0.00 H new ATOM 801 N PRO A 58 2.846 11.741 -13.235 1.00 0.00 N ATOM 802 CA PRO A 58 4.096 12.211 -13.833 1.00 0.00 C ATOM 803 C PRO A 58 4.740 11.185 -14.758 1.00 0.00 C ATOM 804 O PRO A 58 4.756 9.987 -14.465 1.00 0.00 O ATOM 805 CB PRO A 58 4.993 12.479 -12.622 1.00 0.00 C ATOM 806 CG PRO A 58 4.468 11.583 -11.558 1.00 0.00 C ATOM 807 CD PRO A 58 2.986 11.499 -11.786 1.00 0.00 C ATOM 0 HA PRO A 58 3.932 13.084 -14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.037 12.259 -12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.946 13.525 -12.318 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.929 10.597 -11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.689 11.981 -10.568 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.591 10.524 -11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.447 12.244 -11.201 1.00 0.00 H new ATOM 815 N PRO A 59 5.274 11.649 -15.899 1.00 0.00 N ATOM 816 CA PRO A 59 5.990 10.786 -16.830 1.00 0.00 C ATOM 817 C PRO A 59 7.282 10.284 -16.201 1.00 0.00 C ATOM 818 O PRO A 59 7.996 11.048 -15.549 1.00 0.00 O ATOM 819 CB PRO A 59 6.273 11.694 -18.032 1.00 0.00 C ATOM 820 CG PRO A 59 6.196 13.084 -17.502 1.00 0.00 C ATOM 821 CD PRO A 59 5.230 13.048 -16.351 1.00 0.00 C ATOM 0 HA PRO A 59 5.426 9.896 -17.109 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.256 11.489 -18.457 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.543 11.535 -18.826 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.177 13.430 -17.175 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.855 13.775 -18.273 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.527 13.734 -15.558 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.226 13.336 -16.662 1.00 0.00 H new ATOM 829 N GLN A 60 7.583 9.009 -16.400 1.00 0.00 N ATOM 830 CA GLN A 60 8.659 8.360 -15.659 1.00 0.00 C ATOM 831 C GLN A 60 10.014 9.037 -15.867 1.00 0.00 C ATOM 832 O GLN A 60 10.830 9.052 -14.952 1.00 0.00 O ATOM 833 CB GLN A 60 8.742 6.866 -15.988 1.00 0.00 C ATOM 834 CG GLN A 60 8.919 6.553 -17.462 1.00 0.00 C ATOM 835 CD GLN A 60 9.062 5.068 -17.726 1.00 0.00 C ATOM 836 OE1 GLN A 60 9.586 4.319 -16.895 1.00 0.00 O ATOM 837 NE2 GLN A 60 8.602 4.631 -18.882 1.00 0.00 N ATOM 0 H GLN A 60 7.101 8.404 -17.065 1.00 0.00 H new ATOM 0 HA GLN A 60 8.410 8.468 -14.603 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.575 6.431 -15.435 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.834 6.378 -15.633 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.063 6.937 -18.017 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.801 7.072 -17.837 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.176 5.283 -19.541 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.672 3.641 -19.117 1.00 0.00 H new ATOM 846 N HIS A 61 10.252 9.621 -17.043 1.00 0.00 N ATOM 847 CA HIS A 61 11.525 10.308 -17.296 1.00 0.00 C ATOM 848 C HIS A 61 11.711 11.490 -16.344 1.00 0.00 C ATOM 849 O HIS A 61 12.833 11.830 -15.975 1.00 0.00 O ATOM 850 CB HIS A 61 11.652 10.767 -18.763 1.00 0.00 C ATOM 851 CG HIS A 61 10.704 11.857 -19.193 1.00 0.00 C ATOM 852 ND1 HIS A 61 9.581 11.624 -19.957 1.00 0.00 N ATOM 853 CD2 HIS A 61 10.739 13.197 -18.986 1.00 0.00 C ATOM 854 CE1 HIS A 61 8.975 12.772 -20.210 1.00 0.00 C ATOM 855 NE2 HIS A 61 9.655 13.742 -19.629 1.00 0.00 N ATOM 0 H HIS A 61 9.595 9.634 -17.823 1.00 0.00 H new ATOM 0 HA HIS A 61 12.319 9.586 -17.109 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.672 11.112 -18.929 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.499 9.903 -19.409 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.483 13.737 -18.419 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.075 12.895 -20.794 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.415 14.733 -19.653 1.00 0.00 H new ATOM 863 N ARG A 62 10.605 12.094 -15.925 1.00 0.00 N ATOM 864 CA ARG A 62 10.652 13.216 -14.997 1.00 0.00 C ATOM 865 C ARG A 62 11.094 12.747 -13.621 1.00 0.00 C ATOM 866 O ARG A 62 11.776 13.465 -12.892 1.00 0.00 O ATOM 867 CB ARG A 62 9.278 13.874 -14.898 1.00 0.00 C ATOM 868 CG ARG A 62 8.961 14.841 -16.026 1.00 0.00 C ATOM 869 CD ARG A 62 9.769 16.122 -15.907 1.00 0.00 C ATOM 870 NE ARG A 62 9.155 17.214 -16.655 1.00 0.00 N ATOM 871 CZ ARG A 62 9.293 18.498 -16.347 1.00 0.00 C ATOM 872 NH1 ARG A 62 10.126 18.868 -15.380 1.00 0.00 N ATOM 873 NH2 ARG A 62 8.610 19.414 -17.022 1.00 0.00 N ATOM 0 H ARG A 62 9.665 11.825 -16.214 1.00 0.00 H new ATOM 0 HA ARG A 62 11.372 13.943 -15.371 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.516 13.095 -14.879 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.212 14.407 -13.950 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.171 14.365 -16.984 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.897 15.079 -16.014 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.856 16.402 -14.857 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.780 15.951 -16.276 1.00 0.00 H new ATOM 0 HE ARG A 62 8.584 16.976 -17.466 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.662 18.165 -14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.229 19.855 -15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.982 19.130 -17.774 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.713 20.402 -16.789 1.00 0.00 H new ATOM 887 N LEU A 63 10.736 11.512 -13.292 1.00 0.00 N ATOM 888 CA LEU A 63 11.034 10.940 -11.986 1.00 0.00 C ATOM 889 C LEU A 63 12.528 10.633 -11.848 1.00 0.00 C ATOM 890 O LEU A 63 12.974 10.137 -10.814 1.00 0.00 O ATOM 891 CB LEU A 63 10.226 9.654 -11.780 1.00 0.00 C ATOM 892 CG LEU A 63 8.708 9.793 -11.952 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.031 8.436 -11.821 1.00 0.00 C ATOM 894 CD2 LEU A 63 8.138 10.770 -10.935 1.00 0.00 C ATOM 0 H LEU A 63 10.234 10.883 -13.919 1.00 0.00 H new ATOM 0 HA LEU A 63 10.758 11.671 -11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.586 8.903 -12.483 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.427 9.276 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 63 8.512 10.184 -12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.954 8.553 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.414 7.763 -12.588 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.239 8.019 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.060 10.853 -11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.346 10.409 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.599 11.748 -11.073 1.00 0.00 H new ATOM 906 N ARG A 64 13.288 10.902 -12.905 1.00 0.00 N ATOM 907 CA ARG A 64 14.737 10.701 -12.890 1.00 0.00 C ATOM 908 C ARG A 64 15.461 12.002 -12.572 1.00 0.00 C ATOM 909 O ARG A 64 16.264 12.069 -11.640 1.00 0.00 O ATOM 910 CB ARG A 64 15.241 10.169 -14.239 1.00 0.00 C ATOM 911 CG ARG A 64 15.072 8.670 -14.441 1.00 0.00 C ATOM 912 CD ARG A 64 13.613 8.261 -14.428 1.00 0.00 C ATOM 913 NE ARG A 64 13.435 6.829 -14.653 1.00 0.00 N ATOM 914 CZ ARG A 64 13.288 5.940 -13.675 1.00 0.00 C ATOM 915 NH1 ARG A 64 13.358 6.333 -12.406 1.00 0.00 N ATOM 916 NH2 ARG A 64 13.081 4.659 -13.967 1.00 0.00 N ATOM 0 H ARG A 64 12.924 11.261 -13.788 1.00 0.00 H new ATOM 0 HA ARG A 64 14.950 9.965 -12.115 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.714 10.690 -15.038 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.298 10.417 -14.339 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.523 8.378 -15.389 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.606 8.135 -13.656 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.171 8.533 -13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.076 8.817 -15.197 1.00 0.00 H new ATOM 0 HE ARG A 64 13.423 6.491 -15.615 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.524 7.315 -12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.245 5.653 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.035 4.359 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.968 3.977 -13.217 1.00 0.00 H new ATOM 930 N ALA A 65 15.156 13.039 -13.340 1.00 0.00 N ATOM 931 CA ALA A 65 15.877 14.303 -13.247 1.00 0.00 C ATOM 932 C ALA A 65 15.612 15.023 -11.930 1.00 0.00 C ATOM 933 O ALA A 65 16.466 15.761 -11.440 1.00 0.00 O ATOM 934 CB ALA A 65 15.518 15.201 -14.423 1.00 0.00 C ATOM 0 H ALA A 65 14.411 13.030 -14.037 1.00 0.00 H new ATOM 0 HA ALA A 65 16.942 14.073 -13.280 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.063 16.142 -14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.787 14.705 -15.355 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.446 15.400 -14.415 1.00 0.00 H new ATOM 940 N MET A 66 14.439 14.792 -11.350 1.00 0.00 N ATOM 941 CA MET A 66 14.048 15.477 -10.118 1.00 0.00 C ATOM 942 C MET A 66 14.995 15.159 -8.967 1.00 0.00 C ATOM 943 O MET A 66 15.247 16.006 -8.109 1.00 0.00 O ATOM 944 CB MET A 66 12.615 15.115 -9.730 1.00 0.00 C ATOM 945 CG MET A 66 11.576 15.653 -10.698 1.00 0.00 C ATOM 946 SD MET A 66 11.677 17.441 -10.906 1.00 0.00 S ATOM 947 CE MET A 66 11.362 17.997 -9.235 1.00 0.00 C ATOM 0 H MET A 66 13.743 14.139 -11.710 1.00 0.00 H new ATOM 0 HA MET A 66 14.106 16.548 -10.314 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.524 14.030 -9.676 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.407 15.502 -8.733 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.705 15.171 -11.667 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.581 15.389 -10.340 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.680 18.847 -9.257 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.914 17.186 -8.660 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.300 18.297 -8.768 1.00 0.00 H new ATOM 957 N ASN A 67 15.530 13.943 -8.955 1.00 0.00 N ATOM 958 CA ASN A 67 16.457 13.535 -7.904 1.00 0.00 C ATOM 959 C ASN A 67 17.748 14.333 -8.021 1.00 0.00 C ATOM 960 O ASN A 67 18.231 14.909 -7.044 1.00 0.00 O ATOM 961 CB ASN A 67 16.769 12.038 -7.989 1.00 0.00 C ATOM 962 CG ASN A 67 15.526 11.191 -8.166 1.00 0.00 C ATOM 963 OD1 ASN A 67 14.853 10.836 -7.201 1.00 0.00 O ATOM 964 ND2 ASN A 67 15.223 10.846 -9.404 1.00 0.00 N ATOM 0 H ASN A 67 15.340 13.226 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 67 15.986 13.731 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.447 11.859 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.289 11.727 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.405 10.265 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.807 11.161 -10.179 1.00 0.00 H new ATOM 971 N THR A 68 18.283 14.373 -9.236 1.00 0.00 N ATOM 972 CA THR A 68 19.497 15.117 -9.527 1.00 0.00 C ATOM 973 C THR A 68 19.293 16.605 -9.255 1.00 0.00 C ATOM 974 O THR A 68 20.162 17.269 -8.692 1.00 0.00 O ATOM 975 CB THR A 68 19.913 14.928 -11.001 1.00 0.00 C ATOM 976 OG1 THR A 68 19.830 13.541 -11.356 1.00 0.00 O ATOM 977 CG2 THR A 68 21.330 15.436 -11.232 1.00 0.00 C ATOM 0 H THR A 68 17.887 13.891 -10.043 1.00 0.00 H new ATOM 0 HA THR A 68 20.284 14.734 -8.878 1.00 0.00 H new ATOM 0 HB THR A 68 19.233 15.504 -11.628 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.093 13.427 -12.293 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.602 15.293 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.381 16.497 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.023 14.883 -10.598 1.00 0.00 H new ATOM 985 N ALA A 69 18.123 17.108 -9.646 1.00 0.00 N ATOM 986 CA ALA A 69 17.792 18.518 -9.492 1.00 0.00 C ATOM 987 C ALA A 69 17.911 18.964 -8.038 1.00 0.00 C ATOM 988 O ALA A 69 18.601 19.939 -7.737 1.00 0.00 O ATOM 989 CB ALA A 69 16.388 18.794 -10.021 1.00 0.00 C ATOM 0 H ALA A 69 17.384 16.551 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 69 18.509 19.095 -10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.155 19.852 -9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.339 18.531 -11.078 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.666 18.197 -9.465 1.00 0.00 H new ATOM 995 N MET A 70 17.258 18.238 -7.136 1.00 0.00 N ATOM 996 CA MET A 70 17.270 18.598 -5.721 1.00 0.00 C ATOM 997 C MET A 70 18.669 18.417 -5.145 1.00 0.00 C ATOM 998 O MET A 70 19.177 19.282 -4.434 1.00 0.00 O ATOM 999 CB MET A 70 16.263 17.754 -4.930 1.00 0.00 C ATOM 1000 CG MET A 70 16.053 18.243 -3.504 1.00 0.00 C ATOM 1001 SD MET A 70 14.782 17.319 -2.615 1.00 0.00 S ATOM 1002 CE MET A 70 15.594 15.740 -2.368 1.00 0.00 C ATOM 0 H MET A 70 16.717 17.402 -7.357 1.00 0.00 H new ATOM 0 HA MET A 70 16.980 19.645 -5.635 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.306 17.759 -5.452 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.607 16.720 -4.905 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.994 18.170 -2.959 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.778 19.298 -3.525 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.978 15.111 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.734 15.248 -3.331 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.564 15.899 -1.898 1.00 0.00 H new ATOM 1012 N ALA A 71 19.293 17.297 -5.492 1.00 0.00 N ATOM 1013 CA ALA A 71 20.625 16.963 -4.997 1.00 0.00 C ATOM 1014 C ALA A 71 21.645 18.041 -5.354 1.00 0.00 C ATOM 1015 O ALA A 71 22.463 18.433 -4.519 1.00 0.00 O ATOM 1016 CB ALA A 71 21.063 15.617 -5.553 1.00 0.00 C ATOM 0 H ALA A 71 18.894 16.599 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 71 20.574 16.905 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.058 15.375 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.359 14.847 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.086 15.663 -6.642 1.00 0.00 H new ATOM 1022 N ALA A 72 21.583 18.529 -6.587 1.00 0.00 N ATOM 1023 CA ALA A 72 22.519 19.541 -7.062 1.00 0.00 C ATOM 1024 C ALA A 72 22.351 20.859 -6.309 1.00 0.00 C ATOM 1025 O ALA A 72 23.316 21.600 -6.116 1.00 0.00 O ATOM 1026 CB ALA A 72 22.342 19.762 -8.554 1.00 0.00 C ATOM 0 H ALA A 72 20.892 18.239 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 72 23.528 19.176 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.047 20.520 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.528 18.828 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.324 20.097 -8.754 1.00 0.00 H new ATOM 1032 N GLU A 73 21.130 21.137 -5.873 1.00 0.00 N ATOM 1033 CA GLU A 73 20.837 22.377 -5.168 1.00 0.00 C ATOM 1034 C GLU A 73 21.250 22.282 -3.704 1.00 0.00 C ATOM 1035 O GLU A 73 21.755 23.244 -3.133 1.00 0.00 O ATOM 1036 CB GLU A 73 19.351 22.712 -5.279 1.00 0.00 C ATOM 1037 CG GLU A 73 18.886 22.918 -6.709 1.00 0.00 C ATOM 1038 CD GLU A 73 19.610 24.054 -7.398 1.00 0.00 C ATOM 1039 OE1 GLU A 73 20.720 23.830 -7.926 1.00 0.00 O ATOM 1040 OE2 GLU A 73 19.065 25.177 -7.422 1.00 0.00 O ATOM 0 H GLU A 73 20.327 20.521 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 73 21.414 23.177 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.770 21.908 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.146 23.615 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.040 21.998 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.815 23.119 -6.713 1.00 0.00 H new ATOM 1047 N VAL A 74 21.046 21.117 -3.100 1.00 0.00 N ATOM 1048 CA VAL A 74 21.470 20.900 -1.720 1.00 0.00 C ATOM 1049 C VAL A 74 22.996 20.933 -1.633 1.00 0.00 C ATOM 1050 O VAL A 74 23.571 21.285 -0.603 1.00 0.00 O ATOM 1051 CB VAL A 74 20.950 19.555 -1.164 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.344 19.372 0.296 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.441 19.455 -1.322 1.00 0.00 C ATOM 0 H VAL A 74 20.594 20.314 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 74 21.045 21.701 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 74 21.414 18.756 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 74 20.964 18.417 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.430 19.387 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 74 20.920 20.181 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.096 18.501 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.963 20.269 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.180 19.523 -2.378 1.00 0.00 H new ATOM 1063 N ALA A 75 23.646 20.588 -2.740 1.00 0.00 N ATOM 1064 CA ALA A 75 25.101 20.600 -2.823 1.00 0.00 C ATOM 1065 C ALA A 75 25.664 22.006 -2.609 1.00 0.00 C ATOM 1066 O ALA A 75 26.809 22.166 -2.181 1.00 0.00 O ATOM 1067 CB ALA A 75 25.550 20.051 -4.169 1.00 0.00 C ATOM 0 H ALA A 75 23.182 20.294 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 75 25.489 19.964 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.639 20.064 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.193 19.027 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.140 20.668 -4.969 1.00 0.00 H new ATOM 1073 N GLU A 76 24.852 23.021 -2.890 1.00 0.00 N ATOM 1074 CA GLU A 76 25.285 24.409 -2.769 1.00 0.00 C ATOM 1075 C GLU A 76 25.636 24.762 -1.326 1.00 0.00 C ATOM 1076 O GLU A 76 26.703 25.317 -1.057 1.00 0.00 O ATOM 1077 CB GLU A 76 24.200 25.356 -3.282 1.00 0.00 C ATOM 1078 CG GLU A 76 23.942 25.240 -4.777 1.00 0.00 C ATOM 1079 CD GLU A 76 25.189 25.484 -5.604 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.862 26.511 -5.390 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.496 24.650 -6.482 1.00 0.00 O ATOM 0 H GLU A 76 23.888 22.907 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 76 26.182 24.525 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.272 25.156 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.487 26.382 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.552 24.247 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.173 25.956 -5.066 1.00 0.00 H new ATOM 1088 N VAL A 77 24.750 24.416 -0.396 1.00 0.00 N ATOM 1089 CA VAL A 77 24.932 24.789 1.005 1.00 0.00 C ATOM 1090 C VAL A 77 26.080 24.015 1.637 1.00 0.00 C ATOM 1091 O VAL A 77 26.719 24.487 2.577 1.00 0.00 O ATOM 1092 CB VAL A 77 23.648 24.574 1.840 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.501 25.379 1.260 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.281 23.101 1.922 1.00 0.00 C ATOM 0 H VAL A 77 23.903 23.881 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 77 25.168 25.853 1.009 1.00 0.00 H new ATOM 0 HB VAL A 77 23.844 24.923 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.604 25.218 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.758 26.438 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.315 25.061 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.374 22.984 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.110 22.712 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.095 22.549 2.391 1.00 0.00 H new ATOM 1104 N VAL A 78 26.356 22.832 1.107 1.00 0.00 N ATOM 1105 CA VAL A 78 27.423 21.995 1.633 1.00 0.00 C ATOM 1106 C VAL A 78 28.791 22.600 1.316 1.00 0.00 C ATOM 1107 O VAL A 78 29.735 22.475 2.098 1.00 0.00 O ATOM 1108 CB VAL A 78 27.338 20.562 1.062 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.434 19.678 1.634 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.972 19.958 1.337 1.00 0.00 C ATOM 0 H VAL A 78 25.856 22.431 0.314 1.00 0.00 H new ATOM 0 HA VAL A 78 27.301 21.945 2.715 1.00 0.00 H new ATOM 0 HB VAL A 78 27.481 20.622 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.349 18.676 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.408 20.096 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.332 19.627 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.931 18.949 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.801 19.920 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.202 20.571 0.868 1.00 0.00 H new ATOM 1120 N ALA A 79 28.870 23.304 0.193 1.00 0.00 N ATOM 1121 CA ALA A 79 30.127 23.880 -0.273 1.00 0.00 C ATOM 1122 C ALA A 79 30.587 25.026 0.624 1.00 0.00 C ATOM 1123 O ALA A 79 31.745 25.438 0.572 1.00 0.00 O ATOM 1124 CB ALA A 79 29.983 24.359 -1.708 1.00 0.00 C ATOM 0 H ALA A 79 28.073 23.491 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 79 30.888 23.100 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.927 24.787 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.717 23.517 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.201 25.117 -1.762 1.00 0.00 H new ATOM 1130 N THR A 80 29.680 25.533 1.449 1.00 0.00 N ATOM 1131 CA THR A 80 29.996 26.632 2.352 1.00 0.00 C ATOM 1132 C THR A 80 30.601 26.106 3.659 1.00 0.00 C ATOM 1133 O THR A 80 30.856 26.866 4.596 1.00 0.00 O ATOM 1134 CB THR A 80 28.727 27.452 2.656 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.926 27.545 1.471 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.076 28.857 3.133 1.00 0.00 C ATOM 0 H THR A 80 28.718 25.200 1.511 1.00 0.00 H new ATOM 0 HA THR A 80 30.729 27.274 1.864 1.00 0.00 H new ATOM 0 HB THR A 80 28.177 26.945 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.118 28.065 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.159 29.410 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.674 28.795 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.645 29.373 2.359 1.00 0.00 H new ATOM 1144 N SER A 81 30.835 24.802 3.719 1.00 0.00 N ATOM 1145 CA SER A 81 31.389 24.186 4.911 1.00 0.00 C ATOM 1146 C SER A 81 32.891 23.953 4.745 1.00 0.00 C ATOM 1147 O SER A 81 33.333 23.414 3.729 1.00 0.00 O ATOM 1148 CB SER A 81 30.680 22.859 5.178 1.00 0.00 C ATOM 1149 OG SER A 81 29.274 23.000 5.035 1.00 0.00 O ATOM 0 H SER A 81 30.649 24.153 2.955 1.00 0.00 H new ATOM 0 HA SER A 81 31.236 24.855 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 81 31.046 22.100 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.915 22.512 6.184 1.00 0.00 H new ATOM 0 HG SER A 81 29.025 22.864 4.097 1.00 0.00 H new ATOM 1155 N PRO A 82 33.698 24.381 5.730 1.00 0.00 N ATOM 1156 CA PRO A 82 35.140 24.130 5.728 1.00 0.00 C ATOM 1157 C PRO A 82 35.452 22.661 6.028 1.00 0.00 C ATOM 1158 O PRO A 82 34.603 21.942 6.562 1.00 0.00 O ATOM 1159 CB PRO A 82 35.661 25.039 6.846 1.00 0.00 C ATOM 1160 CG PRO A 82 34.505 25.210 7.770 1.00 0.00 C ATOM 1161 CD PRO A 82 33.269 25.154 6.911 1.00 0.00 C ATOM 0 HA PRO A 82 35.600 24.333 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.512 24.589 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.997 25.998 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.490 24.424 8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.568 26.160 8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.443 24.667 7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.928 26.152 6.634 1.00 0.00 H new ATOM 1169 N PRO A 83 36.680 22.196 5.713 1.00 0.00 N ATOM 1170 CA PRO A 83 37.072 20.783 5.869 1.00 0.00 C ATOM 1171 C PRO A 83 37.174 20.330 7.328 1.00 0.00 C ATOM 1172 O PRO A 83 37.702 19.257 7.614 1.00 0.00 O ATOM 1173 CB PRO A 83 38.452 20.707 5.199 1.00 0.00 C ATOM 1174 CG PRO A 83 38.593 21.973 4.424 1.00 0.00 C ATOM 1175 CD PRO A 83 37.778 22.997 5.154 1.00 0.00 C ATOM 0 HA PRO A 83 36.322 20.126 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 83 39.244 20.612 5.942 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.523 19.838 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.638 22.278 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.236 21.847 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 83 38.355 23.493 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.412 23.775 4.485 1.00 0.00 H new ATOM 1183 N GLN A 84 36.673 21.147 8.245 1.00 0.00 N ATOM 1184 CA GLN A 84 36.652 20.790 9.655 1.00 0.00 C ATOM 1185 C GLN A 84 35.240 20.407 10.084 1.00 0.00 C ATOM 1186 O GLN A 84 34.982 19.270 10.474 1.00 0.00 O ATOM 1187 CB GLN A 84 37.151 21.945 10.524 1.00 0.00 C ATOM 1188 CG GLN A 84 38.604 22.327 10.288 1.00 0.00 C ATOM 1189 CD GLN A 84 39.088 23.344 11.302 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.615 23.371 12.437 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.022 24.194 10.909 1.00 0.00 N ATOM 0 H GLN A 84 36.275 22.063 8.036 1.00 0.00 H new ATOM 0 HA GLN A 84 37.318 19.938 9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.524 22.818 10.341 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.025 21.676 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.228 21.435 10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.715 22.734 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.392 24.142 9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.373 24.901 11.555 1.00 0.00 H new ATOM 1200 N SER A 85 34.319 21.358 9.976 1.00 0.00 N ATOM 1201 CA SER A 85 32.953 21.163 10.437 1.00 0.00 C ATOM 1202 C SER A 85 32.101 20.462 9.382 1.00 0.00 C ATOM 1203 O SER A 85 30.911 20.219 9.591 1.00 0.00 O ATOM 1204 CB SER A 85 32.343 22.514 10.810 1.00 0.00 C ATOM 1205 OG SER A 85 32.644 23.488 9.827 1.00 0.00 O ATOM 0 H SER A 85 34.497 22.277 9.570 1.00 0.00 H new ATOM 0 HA SER A 85 32.974 20.520 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.262 22.415 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.726 22.837 11.778 1.00 0.00 H new ATOM 0 HG SER A 85 32.244 24.345 10.083 1.00 0.00 H new ATOM 1211 N TYR A 86 32.722 20.131 8.254 1.00 0.00 N ATOM 1212 CA TYR A 86 32.050 19.410 7.180 1.00 0.00 C ATOM 1213 C TYR A 86 31.406 18.127 7.702 1.00 0.00 C ATOM 1214 O TYR A 86 30.265 17.810 7.358 1.00 0.00 O ATOM 1215 CB TYR A 86 33.048 19.088 6.061 1.00 0.00 C ATOM 1216 CG TYR A 86 32.481 18.225 4.952 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.734 18.779 3.918 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.697 16.853 4.943 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.220 17.984 2.908 1.00 0.00 C ATOM 1220 CE2 TYR A 86 32.188 16.055 3.937 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.450 16.623 2.922 1.00 0.00 C ATOM 1222 OH TYR A 86 30.942 15.826 1.914 1.00 0.00 O ATOM 0 H TYR A 86 33.698 20.353 8.060 1.00 0.00 H new ATOM 0 HA TYR A 86 31.260 20.046 6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.408 20.022 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.911 18.583 6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 86 31.553 19.844 3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 86 33.273 16.402 5.737 1.00 0.00 H new ATOM 0 HE1 TYR A 86 30.641 18.427 2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 86 32.368 14.990 3.946 1.00 0.00 H new ATOM 0 HH TYR A 86 30.884 16.345 1.085 1.00 0.00 H new ATOM 1232 N SER A 87 32.130 17.415 8.561 1.00 0.00 N ATOM 1233 CA SER A 87 31.654 16.152 9.117 1.00 0.00 C ATOM 1234 C SER A 87 30.490 16.354 10.088 1.00 0.00 C ATOM 1235 O SER A 87 29.898 15.388 10.559 1.00 0.00 O ATOM 1236 CB SER A 87 32.799 15.430 9.828 1.00 0.00 C ATOM 1237 OG SER A 87 33.938 15.328 8.988 1.00 0.00 O ATOM 0 H SER A 87 33.055 17.694 8.889 1.00 0.00 H new ATOM 0 HA SER A 87 31.292 15.546 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.062 15.968 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.474 14.434 10.128 1.00 0.00 H new ATOM 0 HG SER A 87 34.657 14.864 9.466 1.00 0.00 H new ATOM 1243 N ALA A 88 30.174 17.605 10.397 1.00 0.00 N ATOM 1244 CA ALA A 88 29.036 17.911 11.252 1.00 0.00 C ATOM 1245 C ALA A 88 27.868 18.426 10.420 1.00 0.00 C ATOM 1246 O ALA A 88 26.705 18.161 10.723 1.00 0.00 O ATOM 1247 CB ALA A 88 29.429 18.927 12.315 1.00 0.00 C ATOM 0 H ALA A 88 30.689 18.422 10.069 1.00 0.00 H new ATOM 0 HA ALA A 88 28.721 16.995 11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.567 19.145 12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.234 18.520 12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.768 19.844 11.834 1.00 0.00 H new ATOM 1253 N VAL A 89 28.186 19.143 9.349 1.00 0.00 N ATOM 1254 CA VAL A 89 27.162 19.723 8.488 1.00 0.00 C ATOM 1255 C VAL A 89 26.536 18.642 7.615 1.00 0.00 C ATOM 1256 O VAL A 89 25.320 18.440 7.629 1.00 0.00 O ATOM 1257 CB VAL A 89 27.736 20.839 7.586 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.648 21.429 6.700 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.385 21.932 8.423 1.00 0.00 C ATOM 0 H VAL A 89 29.144 19.337 9.056 1.00 0.00 H new ATOM 0 HA VAL A 89 26.404 20.163 9.135 1.00 0.00 H new ATOM 0 HB VAL A 89 28.500 20.395 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.074 22.213 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.229 20.646 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.860 21.851 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.782 22.706 7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.642 22.368 9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.197 21.505 9.012 1.00 0.00 H new ATOM 1269 N LEU A 90 27.386 17.934 6.878 1.00 0.00 N ATOM 1270 CA LEU A 90 26.947 16.869 5.992 1.00 0.00 C ATOM 1271 C LEU A 90 26.252 15.778 6.799 1.00 0.00 C ATOM 1272 O LEU A 90 25.242 15.217 6.373 1.00 0.00 O ATOM 1273 CB LEU A 90 28.172 16.312 5.260 1.00 0.00 C ATOM 1274 CG LEU A 90 27.914 15.614 3.924 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.222 14.275 4.126 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.096 16.504 2.999 1.00 0.00 C ATOM 0 H LEU A 90 28.395 18.084 6.880 1.00 0.00 H new ATOM 0 HA LEU A 90 26.234 17.251 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.867 17.133 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.672 15.605 5.922 1.00 0.00 H new ATOM 0 HG LEU A 90 28.880 15.426 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.052 13.803 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.851 13.629 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.266 14.431 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 90 26.925 15.987 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.138 16.732 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 90 27.639 17.431 2.812 1.00 0.00 H new ATOM 1288 N ASN A 91 26.809 15.505 7.970 1.00 0.00 N ATOM 1289 CA ASN A 91 26.260 14.519 8.899 1.00 0.00 C ATOM 1290 C ASN A 91 24.790 14.812 9.174 1.00 0.00 C ATOM 1291 O ASN A 91 23.935 13.929 9.097 1.00 0.00 O ATOM 1292 CB ASN A 91 27.042 14.576 10.208 1.00 0.00 C ATOM 1293 CG ASN A 91 27.153 13.237 10.906 1.00 0.00 C ATOM 1294 OD1 ASN A 91 26.267 12.387 10.816 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.259 13.048 11.604 1.00 0.00 N ATOM 0 H ASN A 91 27.657 15.961 8.307 1.00 0.00 H new ATOM 0 HA ASN A 91 26.344 13.526 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 91 28.044 14.956 10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.560 15.287 10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 91 28.406 12.168 12.098 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.965 13.782 11.649 1.00 0.00 H new ATOM 1302 N THR A 92 24.511 16.074 9.479 1.00 0.00 N ATOM 1303 CA THR A 92 23.158 16.526 9.744 1.00 0.00 C ATOM 1304 C THR A 92 22.275 16.354 8.507 1.00 0.00 C ATOM 1305 O THR A 92 21.156 15.850 8.599 1.00 0.00 O ATOM 1306 CB THR A 92 23.158 18.007 10.183 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.052 18.186 11.293 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.764 18.460 10.587 1.00 0.00 C ATOM 0 H THR A 92 25.216 16.807 9.548 1.00 0.00 H new ATOM 0 HA THR A 92 22.753 15.916 10.551 1.00 0.00 H new ATOM 0 HB THR A 92 23.489 18.609 9.336 1.00 0.00 H new ATOM 0 HG1 THR A 92 24.977 18.190 10.970 1.00 0.00 H new ATOM 0 HG21 THR A 92 21.795 19.506 10.891 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.086 18.348 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.410 17.851 11.419 1.00 0.00 H new ATOM 1316 N ILE A 93 22.800 16.752 7.351 1.00 0.00 N ATOM 1317 CA ILE A 93 22.059 16.670 6.093 1.00 0.00 C ATOM 1318 C ILE A 93 21.592 15.242 5.817 1.00 0.00 C ATOM 1319 O ILE A 93 20.411 15.007 5.551 1.00 0.00 O ATOM 1320 CB ILE A 93 22.911 17.167 4.902 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.345 18.624 5.115 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.145 17.027 3.592 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.191 19.598 5.251 1.00 0.00 C ATOM 0 H ILE A 93 23.740 17.136 7.258 1.00 0.00 H new ATOM 0 HA ILE A 93 21.187 17.316 6.198 1.00 0.00 H new ATOM 0 HB ILE A 93 23.805 16.546 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.963 18.681 6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.970 18.932 4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.764 17.383 2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.891 15.980 3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.231 17.618 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.581 20.605 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.585 19.573 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.577 19.317 6.107 1.00 0.00 H new ATOM 1335 N GLY A 94 22.518 14.296 5.899 1.00 0.00 N ATOM 1336 CA GLY A 94 22.192 12.908 5.627 1.00 0.00 C ATOM 1337 C GLY A 94 21.175 12.351 6.601 1.00 0.00 C ATOM 1338 O GLY A 94 20.218 11.684 6.203 1.00 0.00 O ATOM 0 H GLY A 94 23.492 14.465 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.804 12.821 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.101 12.309 5.673 1.00 0.00 H new ATOM 1342 N ALA A 95 21.378 12.645 7.873 1.00 0.00 N ATOM 1343 CA ALA A 95 20.502 12.159 8.933 1.00 0.00 C ATOM 1344 C ALA A 95 19.087 12.691 8.754 1.00 0.00 C ATOM 1345 O ALA A 95 18.113 11.934 8.817 1.00 0.00 O ATOM 1346 CB ALA A 95 21.053 12.554 10.296 1.00 0.00 C ATOM 0 H ALA A 95 22.150 13.224 8.203 1.00 0.00 H new ATOM 0 HA ALA A 95 20.464 11.071 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.389 12.185 11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.044 12.120 10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.120 13.640 10.360 1.00 0.00 H new ATOM 1352 N CYS A 96 18.979 13.992 8.510 1.00 0.00 N ATOM 1353 CA CYS A 96 17.683 14.627 8.330 1.00 0.00 C ATOM 1354 C CYS A 96 16.976 14.090 7.091 1.00 0.00 C ATOM 1355 O CYS A 96 15.764 13.888 7.105 1.00 0.00 O ATOM 1356 CB CYS A 96 17.835 16.144 8.230 1.00 0.00 C ATOM 1357 SG CYS A 96 18.576 16.916 9.708 1.00 0.00 S ATOM 0 H CYS A 96 19.774 14.626 8.433 1.00 0.00 H new ATOM 0 HA CYS A 96 17.074 14.391 9.203 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.451 16.381 7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.854 16.586 8.055 1.00 0.00 H new ATOM 1362 N LEU A 97 17.741 13.840 6.032 1.00 0.00 N ATOM 1363 CA LEU A 97 17.187 13.334 4.780 1.00 0.00 C ATOM 1364 C LEU A 97 16.521 11.976 5.010 1.00 0.00 C ATOM 1365 O LEU A 97 15.402 11.738 4.553 1.00 0.00 O ATOM 1366 CB LEU A 97 18.301 13.228 3.724 1.00 0.00 C ATOM 1367 CG LEU A 97 17.862 13.228 2.247 1.00 0.00 C ATOM 1368 CD1 LEU A 97 17.156 11.936 1.865 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.965 14.422 1.953 1.00 0.00 C ATOM 0 H LEU A 97 18.751 13.980 6.016 1.00 0.00 H new ATOM 0 HA LEU A 97 16.428 14.026 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.990 14.059 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.861 12.312 3.912 1.00 0.00 H new ATOM 0 HG LEU A 97 18.766 13.304 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.863 11.978 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.830 11.093 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.268 11.810 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.666 14.403 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.078 14.375 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 97 17.508 15.344 2.159 1.00 0.00 H new ATOM 1381 N ARG A 98 17.206 11.102 5.745 1.00 0.00 N ATOM 1382 CA ARG A 98 16.682 9.769 6.037 1.00 0.00 C ATOM 1383 C ARG A 98 15.345 9.858 6.771 1.00 0.00 C ATOM 1384 O ARG A 98 14.363 9.227 6.375 1.00 0.00 O ATOM 1385 CB ARG A 98 17.686 8.982 6.879 1.00 0.00 C ATOM 1386 CG ARG A 98 19.029 8.783 6.198 1.00 0.00 C ATOM 1387 CD ARG A 98 20.034 8.144 7.137 1.00 0.00 C ATOM 1388 NE ARG A 98 21.338 7.958 6.500 1.00 0.00 N ATOM 1389 CZ ARG A 98 22.420 7.512 7.137 1.00 0.00 C ATOM 1390 NH1 ARG A 98 22.356 7.211 8.427 1.00 0.00 N ATOM 1391 NH2 ARG A 98 23.568 7.363 6.482 1.00 0.00 N ATOM 0 H ARG A 98 18.123 11.292 6.149 1.00 0.00 H new ATOM 0 HA ARG A 98 16.523 9.251 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.841 9.502 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.261 8.007 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.902 8.155 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.410 9.744 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.149 8.768 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.654 7.179 7.473 1.00 0.00 H new ATOM 0 HE ARG A 98 21.424 8.183 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.477 7.321 8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.185 6.870 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 98 23.622 7.590 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.394 7.021 6.973 1.00 0.00 H new ATOM 1405 N GLU A 99 15.322 10.656 7.837 1.00 0.00 N ATOM 1406 CA GLU A 99 14.105 10.885 8.618 1.00 0.00 C ATOM 1407 C GLU A 99 12.990 11.419 7.735 1.00 0.00 C ATOM 1408 O GLU A 99 11.895 10.859 7.685 1.00 0.00 O ATOM 1409 CB GLU A 99 14.374 11.900 9.726 1.00 0.00 C ATOM 1410 CG GLU A 99 15.345 11.417 10.777 1.00 0.00 C ATOM 1411 CD GLU A 99 14.744 10.362 11.681 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.006 10.730 12.619 1.00 0.00 O ATOM 1413 OE2 GLU A 99 15.001 9.159 11.458 1.00 0.00 O ATOM 0 H GLU A 99 16.139 11.159 8.183 1.00 0.00 H new ATOM 0 HA GLU A 99 13.802 9.931 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.763 12.815 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.430 12.156 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.231 11.011 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.673 12.264 11.380 1.00 0.00 H new ATOM 1420 N SER A 100 13.293 12.513 7.053 1.00 0.00 N ATOM 1421 CA SER A 100 12.339 13.187 6.180 1.00 0.00 C ATOM 1422 C SER A 100 11.664 12.218 5.211 1.00 0.00 C ATOM 1423 O SER A 100 10.459 12.310 4.978 1.00 0.00 O ATOM 1424 CB SER A 100 13.048 14.295 5.404 1.00 0.00 C ATOM 1425 OG SER A 100 13.653 15.219 6.289 1.00 0.00 O ATOM 0 H SER A 100 14.209 12.961 7.088 1.00 0.00 H new ATOM 0 HA SER A 100 11.558 13.615 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.805 13.861 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.333 14.812 4.764 1.00 0.00 H new ATOM 0 HG SER A 100 14.515 14.865 6.592 1.00 0.00 H new ATOM 1431 N MET A 101 12.438 11.286 4.669 1.00 0.00 N ATOM 1432 CA MET A 101 11.917 10.310 3.717 1.00 0.00 C ATOM 1433 C MET A 101 10.806 9.461 4.329 1.00 0.00 C ATOM 1434 O MET A 101 9.712 9.351 3.766 1.00 0.00 O ATOM 1435 CB MET A 101 13.043 9.409 3.206 1.00 0.00 C ATOM 1436 CG MET A 101 13.783 9.982 2.011 1.00 0.00 C ATOM 1437 SD MET A 101 12.729 10.132 0.554 1.00 0.00 S ATOM 1438 CE MET A 101 12.325 8.412 0.243 1.00 0.00 C ATOM 0 H MET A 101 13.432 11.184 4.873 1.00 0.00 H new ATOM 0 HA MET A 101 11.492 10.864 2.880 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.754 9.236 4.014 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.626 8.439 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.181 10.963 2.270 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.635 9.344 1.775 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.392 8.210 -0.826 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.026 7.771 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.311 8.208 0.588 1.00 0.00 H new ATOM 1448 N MET A 102 11.075 8.873 5.489 1.00 0.00 N ATOM 1449 CA MET A 102 10.107 7.983 6.118 1.00 0.00 C ATOM 1450 C MET A 102 8.992 8.768 6.800 1.00 0.00 C ATOM 1451 O MET A 102 7.887 8.255 6.986 1.00 0.00 O ATOM 1452 CB MET A 102 10.791 7.047 7.116 1.00 0.00 C ATOM 1453 CG MET A 102 11.244 7.712 8.406 1.00 0.00 C ATOM 1454 SD MET A 102 11.933 6.525 9.574 1.00 0.00 S ATOM 1455 CE MET A 102 10.649 5.274 9.560 1.00 0.00 C ATOM 0 H MET A 102 11.945 8.994 6.008 1.00 0.00 H new ATOM 0 HA MET A 102 9.659 7.377 5.330 1.00 0.00 H new ATOM 0 HB2 MET A 102 10.104 6.237 7.363 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.657 6.594 6.633 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.991 8.472 8.179 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.399 8.224 8.866 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.682 4.708 10.491 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.675 5.753 9.462 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.808 4.599 8.719 1.00 0.00 H new ATOM 1465 N GLN A 103 9.282 10.008 7.173 1.00 0.00 N ATOM 1466 CA GLN A 103 8.268 10.877 7.758 1.00 0.00 C ATOM 1467 C GLN A 103 7.340 11.420 6.678 1.00 0.00 C ATOM 1468 O GLN A 103 6.232 11.875 6.965 1.00 0.00 O ATOM 1469 CB GLN A 103 8.913 12.020 8.546 1.00 0.00 C ATOM 1470 CG GLN A 103 8.980 11.763 10.047 1.00 0.00 C ATOM 1471 CD GLN A 103 9.679 10.463 10.403 1.00 0.00 C ATOM 1472 OE1 GLN A 103 9.049 9.408 10.478 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.978 10.531 10.646 1.00 0.00 N ATOM 0 H GLN A 103 10.205 10.433 7.082 1.00 0.00 H new ATOM 0 HA GLN A 103 7.674 10.284 8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.922 12.186 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.351 12.936 8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.501 12.591 10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.968 11.746 10.451 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.464 11.425 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.493 9.690 10.906 1.00 0.00 H new ATOM 1482 N ALA A 104 7.799 11.373 5.435 1.00 0.00 N ATOM 1483 CA ALA A 104 6.961 11.721 4.303 1.00 0.00 C ATOM 1484 C ALA A 104 5.977 10.595 4.035 1.00 0.00 C ATOM 1485 O ALA A 104 4.769 10.779 4.177 1.00 0.00 O ATOM 1486 CB ALA A 104 7.808 12.006 3.072 1.00 0.00 C ATOM 0 H ALA A 104 8.749 11.096 5.188 1.00 0.00 H new ATOM 0 HA ALA A 104 6.405 12.628 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.159 12.265 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.482 12.837 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.391 11.121 2.818 1.00 0.00 H new ATOM 1492 N THR A 105 6.512 9.425 3.670 1.00 0.00 N ATOM 1493 CA THR A 105 5.696 8.236 3.420 1.00 0.00 C ATOM 1494 C THR A 105 6.522 7.128 2.762 1.00 0.00 C ATOM 1495 O THR A 105 6.213 5.946 2.902 1.00 0.00 O ATOM 1496 CB THR A 105 4.466 8.542 2.527 1.00 0.00 C ATOM 1497 OG1 THR A 105 3.663 7.365 2.368 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.891 9.061 1.157 1.00 0.00 C ATOM 0 H THR A 105 7.513 9.278 3.541 1.00 0.00 H new ATOM 0 HA THR A 105 5.341 7.902 4.395 1.00 0.00 H new ATOM 0 HB THR A 105 3.881 9.317 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.889 7.571 1.804 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.006 9.266 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.468 9.978 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.504 8.310 0.658 1.00 0.00 H new ATOM 1506 N GLY A 106 7.595 7.505 2.074 1.00 0.00 N ATOM 1507 CA GLY A 106 8.337 6.545 1.276 1.00 0.00 C ATOM 1508 C GLY A 106 9.367 5.756 2.063 1.00 0.00 C ATOM 1509 O GLY A 106 10.288 5.195 1.470 1.00 0.00 O ATOM 0 H GLY A 106 7.964 8.456 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.635 5.850 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.840 7.073 0.465 1.00 0.00 H new ATOM 1513 N SER A 107 9.199 5.699 3.389 1.00 0.00 N ATOM 1514 CA SER A 107 10.121 4.995 4.287 1.00 0.00 C ATOM 1515 C SER A 107 11.570 5.436 4.052 1.00 0.00 C ATOM 1516 O SER A 107 11.825 6.469 3.431 1.00 0.00 O ATOM 1517 CB SER A 107 9.982 3.468 4.135 1.00 0.00 C ATOM 1518 OG SER A 107 10.370 3.018 2.845 1.00 0.00 O ATOM 0 H SER A 107 8.417 6.142 3.871 1.00 0.00 H new ATOM 0 HA SER A 107 9.853 5.259 5.310 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.593 2.973 4.889 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.948 3.179 4.323 1.00 0.00 H new ATOM 0 HG SER A 107 10.697 3.777 2.318 1.00 0.00 H new ATOM 1524 N VAL A 108 12.515 4.682 4.585 1.00 0.00 N ATOM 1525 CA VAL A 108 13.914 4.931 4.303 1.00 0.00 C ATOM 1526 C VAL A 108 14.358 4.012 3.175 1.00 0.00 C ATOM 1527 O VAL A 108 14.629 2.830 3.388 1.00 0.00 O ATOM 1528 CB VAL A 108 14.810 4.719 5.543 1.00 0.00 C ATOM 1529 CG1 VAL A 108 16.236 5.170 5.257 1.00 0.00 C ATOM 1530 CG2 VAL A 108 14.246 5.462 6.745 1.00 0.00 C ATOM 0 H VAL A 108 12.339 3.897 5.212 1.00 0.00 H new ATOM 0 HA VAL A 108 14.021 5.975 4.010 1.00 0.00 H new ATOM 0 HB VAL A 108 14.827 3.654 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.852 5.013 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.641 4.592 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.238 6.229 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.891 5.300 7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.197 6.528 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.245 5.091 6.965 1.00 0.00 H new ATOM 1540 N ASP A 109 14.366 4.553 1.968 1.00 0.00 N ATOM 1541 CA ASP A 109 14.703 3.780 0.779 1.00 0.00 C ATOM 1542 C ASP A 109 16.194 3.459 0.731 1.00 0.00 C ATOM 1543 O ASP A 109 17.001 4.104 1.404 1.00 0.00 O ATOM 1544 CB ASP A 109 14.284 4.531 -0.486 1.00 0.00 C ATOM 1545 CG ASP A 109 14.574 3.736 -1.743 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.957 2.668 -1.929 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.458 4.152 -2.520 1.00 0.00 O ATOM 0 H ASP A 109 14.142 5.531 1.783 1.00 0.00 H new ATOM 0 HA ASP A 109 14.155 2.839 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.219 4.756 -0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.809 5.485 -0.532 1.00 0.00 H new ATOM 1552 N ASN A 110 16.553 2.471 -0.073 1.00 0.00 N ATOM 1553 CA ASN A 110 17.928 1.997 -0.146 1.00 0.00 C ATOM 1554 C ASN A 110 18.712 2.736 -1.222 1.00 0.00 C ATOM 1555 O ASN A 110 19.925 2.900 -1.112 1.00 0.00 O ATOM 1556 CB ASN A 110 17.965 0.494 -0.437 1.00 0.00 C ATOM 1557 CG ASN A 110 17.286 -0.331 0.637 1.00 0.00 C ATOM 1558 OD1 ASN A 110 17.904 -0.700 1.635 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.016 -0.649 0.433 1.00 0.00 N ATOM 0 H ASN A 110 15.907 1.978 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 110 18.391 2.192 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.482 0.302 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.002 0.173 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.517 -1.219 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.537 -0.324 -0.407 1.00 0.00 H new ATOM 1566 N ALA A 111 18.021 3.191 -2.256 1.00 0.00 N ATOM 1567 CA ALA A 111 18.682 3.806 -3.396 1.00 0.00 C ATOM 1568 C ALA A 111 18.597 5.323 -3.327 1.00 0.00 C ATOM 1569 O ALA A 111 19.614 6.004 -3.414 1.00 0.00 O ATOM 1570 CB ALA A 111 18.081 3.294 -4.697 1.00 0.00 C ATOM 0 H ALA A 111 17.005 3.146 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 111 19.736 3.529 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.586 3.764 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.206 2.213 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.019 3.538 -4.728 1.00 0.00 H new ATOM 1576 N PHE A 112 17.390 5.846 -3.147 1.00 0.00 N ATOM 1577 CA PHE A 112 17.168 7.290 -3.125 1.00 0.00 C ATOM 1578 C PHE A 112 17.998 7.943 -2.026 1.00 0.00 C ATOM 1579 O PHE A 112 18.803 8.839 -2.289 1.00 0.00 O ATOM 1580 CB PHE A 112 15.680 7.596 -2.913 1.00 0.00 C ATOM 1581 CG PHE A 112 15.349 9.068 -2.932 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.021 9.702 -4.120 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.364 9.817 -1.764 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.718 11.051 -4.142 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.060 11.165 -1.782 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.737 11.782 -2.972 1.00 0.00 C ATOM 0 H PHE A 112 16.545 5.290 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 112 17.479 7.700 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.102 7.094 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.365 7.175 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.002 9.136 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.617 9.340 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.466 11.533 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.075 11.735 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.499 12.835 -2.988 1.00 0.00 H new ATOM 1596 N THR A 113 17.814 7.465 -0.802 1.00 0.00 N ATOM 1597 CA THR A 113 18.489 8.016 0.364 1.00 0.00 C ATOM 1598 C THR A 113 20.010 7.869 0.261 1.00 0.00 C ATOM 1599 O THR A 113 20.765 8.553 0.955 1.00 0.00 O ATOM 1600 CB THR A 113 17.992 7.303 1.631 1.00 0.00 C ATOM 1601 OG1 THR A 113 16.700 6.735 1.381 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.892 8.273 2.794 1.00 0.00 C ATOM 0 H THR A 113 17.192 6.684 -0.591 1.00 0.00 H new ATOM 0 HA THR A 113 18.256 9.080 0.413 1.00 0.00 H new ATOM 0 HB THR A 113 18.705 6.520 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 113 16.732 5.768 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.538 7.745 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.874 8.702 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 113 17.192 9.070 2.544 1.00 0.00 H new ATOM 1610 N ASN A 114 20.449 6.981 -0.617 1.00 0.00 N ATOM 1611 CA ASN A 114 21.868 6.723 -0.808 1.00 0.00 C ATOM 1612 C ASN A 114 22.437 7.562 -1.951 1.00 0.00 C ATOM 1613 O ASN A 114 23.467 8.224 -1.794 1.00 0.00 O ATOM 1614 CB ASN A 114 22.091 5.227 -1.063 1.00 0.00 C ATOM 1615 CG ASN A 114 23.459 4.914 -1.642 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.447 4.805 -0.917 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.515 4.737 -2.955 1.00 0.00 N ATOM 0 H ASN A 114 19.838 6.423 -1.213 1.00 0.00 H new ATOM 0 HA ASN A 114 22.398 7.011 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.968 4.683 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.323 4.863 -1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.402 4.501 -3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.671 4.837 -3.520 1.00 0.00 H new ATOM 1624 N GLU A 115 21.752 7.546 -3.089 1.00 0.00 N ATOM 1625 CA GLU A 115 22.198 8.218 -4.276 1.00 0.00 C ATOM 1626 C GLU A 115 22.220 9.732 -4.083 1.00 0.00 C ATOM 1627 O GLU A 115 23.176 10.401 -4.482 1.00 0.00 O ATOM 1628 CB GLU A 115 21.267 7.828 -5.418 1.00 0.00 C ATOM 1629 CG GLU A 115 21.686 8.403 -6.734 1.00 0.00 C ATOM 1630 CD GLU A 115 20.848 7.904 -7.891 1.00 0.00 C ATOM 1631 OE1 GLU A 115 21.126 6.793 -8.390 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.915 8.617 -8.311 1.00 0.00 O ATOM 0 H GLU A 115 20.864 7.057 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 115 23.220 7.916 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.232 6.741 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.256 8.163 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.620 9.490 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.732 8.155 -6.916 1.00 0.00 H new ATOM 1639 N VAL A 116 21.174 10.264 -3.456 1.00 0.00 N ATOM 1640 CA VAL A 116 21.084 11.698 -3.201 1.00 0.00 C ATOM 1641 C VAL A 116 22.263 12.170 -2.354 1.00 0.00 C ATOM 1642 O VAL A 116 22.881 13.183 -2.660 1.00 0.00 O ATOM 1643 CB VAL A 116 19.752 12.075 -2.510 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.734 13.547 -2.118 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.575 11.756 -3.419 1.00 0.00 C ATOM 0 H VAL A 116 20.378 9.724 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 116 21.115 12.201 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 116 19.665 11.482 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.786 13.783 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.553 13.750 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.850 14.163 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.645 12.027 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.667 12.323 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.568 10.690 -3.645 1.00 0.00 H new ATOM 1655 N MET A 117 22.594 11.409 -1.314 1.00 0.00 N ATOM 1656 CA MET A 117 23.701 11.735 -0.444 1.00 0.00 C ATOM 1657 C MET A 117 25.003 11.791 -1.233 1.00 0.00 C ATOM 1658 O MET A 117 25.780 12.735 -1.093 1.00 0.00 O ATOM 1659 CB MET A 117 23.783 10.688 0.659 1.00 0.00 C ATOM 1660 CG MET A 117 24.965 10.869 1.580 1.00 0.00 C ATOM 1661 SD MET A 117 24.579 11.787 3.093 1.00 0.00 S ATOM 1662 CE MET A 117 24.012 13.361 2.446 1.00 0.00 C ATOM 0 H MET A 117 22.100 10.554 -1.058 1.00 0.00 H new ATOM 0 HA MET A 117 23.541 12.718 -0.000 1.00 0.00 H new ATOM 0 HB2 MET A 117 22.866 10.721 1.248 1.00 0.00 H new ATOM 0 HB3 MET A 117 23.835 9.698 0.205 1.00 0.00 H new ATOM 0 HG2 MET A 117 25.356 9.888 1.851 1.00 0.00 H new ATOM 0 HG3 MET A 117 25.757 11.390 1.042 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.048 14.113 3.234 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.655 13.669 1.622 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.987 13.259 2.088 1.00 0.00 H new ATOM 1672 N GLN A 118 25.218 10.792 -2.081 1.00 0.00 N ATOM 1673 CA GLN A 118 26.416 10.736 -2.908 1.00 0.00 C ATOM 1674 C GLN A 118 26.475 11.938 -3.848 1.00 0.00 C ATOM 1675 O GLN A 118 27.513 12.587 -3.979 1.00 0.00 O ATOM 1676 CB GLN A 118 26.443 9.429 -3.707 1.00 0.00 C ATOM 1677 CG GLN A 118 27.709 9.229 -4.531 1.00 0.00 C ATOM 1678 CD GLN A 118 28.964 9.084 -3.685 1.00 0.00 C ATOM 1679 OE1 GLN A 118 29.078 9.658 -2.601 1.00 0.00 O ATOM 1680 NE2 GLN A 118 29.911 8.303 -4.172 1.00 0.00 N ATOM 0 H GLN A 118 24.577 10.009 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 118 27.290 10.767 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.335 8.592 -3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.581 9.406 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.593 8.340 -5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.831 10.075 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.780 7.844 -5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.773 8.158 -3.646 1.00 0.00 H new ATOM 1689 N LEU A 119 25.346 12.238 -4.481 1.00 0.00 N ATOM 1690 CA LEU A 119 25.256 13.362 -5.406 1.00 0.00 C ATOM 1691 C LEU A 119 25.487 14.690 -4.693 1.00 0.00 C ATOM 1692 O LEU A 119 26.289 15.497 -5.146 1.00 0.00 O ATOM 1693 CB LEU A 119 23.899 13.362 -6.112 1.00 0.00 C ATOM 1694 CG LEU A 119 23.775 12.363 -7.262 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.312 12.061 -7.547 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.447 12.906 -8.513 1.00 0.00 C ATOM 0 H LEU A 119 24.477 11.716 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 119 26.042 13.245 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.123 13.147 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.705 14.363 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 119 24.274 11.439 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.241 11.348 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.848 11.636 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.797 12.982 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.349 12.182 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.971 13.842 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.503 13.084 -8.311 1.00 0.00 H new ATOM 1708 N VAL A 120 24.802 14.901 -3.572 1.00 0.00 N ATOM 1709 CA VAL A 120 24.939 16.144 -2.811 1.00 0.00 C ATOM 1710 C VAL A 120 26.396 16.398 -2.427 1.00 0.00 C ATOM 1711 O VAL A 120 26.873 17.528 -2.489 1.00 0.00 O ATOM 1712 CB VAL A 120 24.063 16.131 -1.533 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.364 17.333 -0.649 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.588 16.109 -1.898 1.00 0.00 C ATOM 0 H VAL A 120 24.147 14.230 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 120 24.596 16.950 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 120 24.303 15.226 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 120 23.735 17.297 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.413 17.313 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.161 18.251 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 120 21.988 16.100 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.345 16.995 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.371 15.216 -2.484 1.00 0.00 H new ATOM 1724 N LYS A 121 27.100 15.342 -2.053 1.00 0.00 N ATOM 1725 CA LYS A 121 28.493 15.458 -1.643 1.00 0.00 C ATOM 1726 C LYS A 121 29.409 15.666 -2.849 1.00 0.00 C ATOM 1727 O LYS A 121 30.244 16.572 -2.861 1.00 0.00 O ATOM 1728 CB LYS A 121 28.908 14.203 -0.876 1.00 0.00 C ATOM 1729 CG LYS A 121 28.133 14.006 0.416 1.00 0.00 C ATOM 1730 CD LYS A 121 28.254 12.581 0.935 1.00 0.00 C ATOM 1731 CE LYS A 121 29.689 12.230 1.313 1.00 0.00 C ATOM 1732 NZ LYS A 121 30.198 13.063 2.439 1.00 0.00 N ATOM 0 H LYS A 121 26.730 14.392 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 121 28.590 16.329 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.765 13.331 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 121 29.972 14.260 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.502 14.700 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.082 14.244 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.609 12.456 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.900 11.887 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 121 29.742 11.177 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.334 12.364 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 31.061 12.632 2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 30.414 14.020 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.474 13.119 3.184 1.00 0.00 H new ATOM 1746 N MET A 122 29.229 14.834 -3.864 1.00 0.00 N ATOM 1747 CA MET A 122 30.086 14.852 -5.047 1.00 0.00 C ATOM 1748 C MET A 122 29.869 16.113 -5.880 1.00 0.00 C ATOM 1749 O MET A 122 30.814 16.657 -6.454 1.00 0.00 O ATOM 1750 CB MET A 122 29.844 13.582 -5.877 1.00 0.00 C ATOM 1751 CG MET A 122 30.468 13.598 -7.266 1.00 0.00 C ATOM 1752 SD MET A 122 29.313 14.151 -8.539 1.00 0.00 S ATOM 1753 CE MET A 122 28.090 12.838 -8.493 1.00 0.00 C ATOM 0 H MET A 122 28.491 14.131 -3.894 1.00 0.00 H new ATOM 0 HA MET A 122 31.127 14.867 -4.723 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.236 12.726 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.769 13.431 -5.979 1.00 0.00 H new ATOM 0 HG2 MET A 122 31.339 14.253 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.823 12.597 -7.512 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.444 12.912 -9.368 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.594 11.871 -8.495 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.489 12.932 -7.589 1.00 0.00 H new ATOM 1763 N LEU A 123 28.634 16.591 -5.922 1.00 0.00 N ATOM 1764 CA LEU A 123 28.307 17.797 -6.675 1.00 0.00 C ATOM 1765 C LEU A 123 28.653 19.048 -5.877 1.00 0.00 C ATOM 1766 O LEU A 123 28.521 20.165 -6.374 1.00 0.00 O ATOM 1767 CB LEU A 123 26.822 17.817 -7.049 1.00 0.00 C ATOM 1768 CG LEU A 123 26.379 16.749 -8.052 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.867 16.774 -8.220 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.064 16.957 -9.395 1.00 0.00 C ATOM 0 H LEU A 123 27.841 16.164 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 123 28.902 17.788 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.235 17.701 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.582 18.798 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 123 26.671 15.773 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.568 16.009 -8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.391 16.578 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.558 17.753 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.736 16.188 -10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.803 17.940 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.144 16.893 -9.266 1.00 0.00 H new ATOM 1782 N SER A 124 29.097 18.859 -4.644 1.00 0.00 N ATOM 1783 CA SER A 124 29.449 19.967 -3.791 1.00 0.00 C ATOM 1784 C SER A 124 30.958 20.101 -3.723 1.00 0.00 C ATOM 1785 O SER A 124 31.536 21.074 -4.214 1.00 0.00 O ATOM 1786 CB SER A 124 28.889 19.739 -2.389 1.00 0.00 C ATOM 1787 OG SER A 124 29.062 20.882 -1.584 1.00 0.00 O ATOM 0 H SER A 124 29.220 17.941 -4.216 1.00 0.00 H new ATOM 0 HA SER A 124 29.025 20.883 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 124 27.829 19.492 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 124 29.388 18.887 -1.928 1.00 0.00 H new ATOM 0 HG SER A 124 28.316 21.501 -1.730 1.00 0.00 H new ATOM 1793 N ALA A 125 31.589 19.090 -3.144 1.00 0.00 N ATOM 1794 CA ALA A 125 33.020 19.098 -2.928 1.00 0.00 C ATOM 1795 C ALA A 125 33.497 17.724 -2.496 1.00 0.00 C ATOM 1796 O ALA A 125 33.274 17.300 -1.363 1.00 0.00 O ATOM 1797 CB ALA A 125 33.392 20.135 -1.891 1.00 0.00 C ATOM 0 H ALA A 125 31.121 18.246 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 125 33.510 19.356 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.472 20.128 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.080 21.121 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 125 32.893 19.904 -0.950 1.00 0.00 H new