USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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: B 128 ASN : amide:sc= 0.776 K(o=1.5,f=-0.022) USER MOD Set 1.2: B 129 GLN : amide:sc= 0.679 K(o=1.5,f=-0.072) USER MOD Set 2.1: B 105 MET CE :methyl -140:sc= 0 (180deg=-0.0173) USER MOD Set 2.2: B 106 ASN : amide:sc= 0.00649 K(o=0.0065,f=-1) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -157:sc= 0.957 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.92 K(o=3.8,f=-0.82) USER MOD Set 3.3: B 140 GLN : amide:sc= 0.949 K(o=3.8,f=-0.82) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -159:sc= 0.616 (180deg=0.379) USER MOD Set 4.2: B 123 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 23 SER OG : rot 180:sc= 0.436 USER MOD Set 5.2: B 127 LYS NZ :NH3+ -117:sc= 0.463 (180deg=0.751) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0742 (180deg=0) USER MOD Single : A 4 SER OG : rot -131:sc= 0.104 USER MOD Single : A 5 MET CE :methyl -178:sc= 0 (180deg=-0.0114) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.283 USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 0.764 (180deg=0.529) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.531 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00657 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 29 GLN : amide:sc= 0.523 K(o=0.52,f=-3.9!) USER MOD Single : A 31 MET CE :methyl -177:sc= -0.231 (180deg=-0.265) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 107 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00609) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 SER OG : rot 160:sc= 0.887 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 1.44 (180deg=1.44) USER MOD Single : B 118 TYR OH : rot 50:sc= 0 USER MOD Single : B 120 SER OG : rot 75:sc= 0.978 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00151 USER MOD Single : B 131 MET CE :methyl -163:sc= -0.26 (180deg=-0.804) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0626) USER MOD Single : B 139 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : B 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 144 GLN : amide:sc= 0.595 K(o=0.6,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.427 0.764 -18.636 1.00 0.00 N ATOM 2 CA GLY A 1 -26.112 0.757 -17.957 1.00 0.00 C ATOM 3 C GLY A 1 -25.727 -0.642 -17.465 1.00 0.00 C ATOM 4 O GLY A 1 -26.579 -1.530 -17.394 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.292 0.943 -19.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.890 -0.158 -18.505 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.024 1.512 -18.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.348 1.123 -18.643 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.137 1.444 -17.111 1.00 0.00 H new ATOM 10 N PRO A 2 -24.446 -0.862 -17.109 1.00 0.00 N ATOM 11 CA PRO A 2 -23.888 -2.167 -16.717 1.00 0.00 C ATOM 12 C PRO A 2 -24.200 -2.604 -15.268 1.00 0.00 C ATOM 13 O PRO A 2 -23.727 -3.651 -14.827 1.00 0.00 O ATOM 14 CB PRO A 2 -22.377 -2.022 -16.954 1.00 0.00 C ATOM 15 CG PRO A 2 -22.121 -0.551 -16.635 1.00 0.00 C ATOM 16 CD PRO A 2 -23.378 0.136 -17.164 1.00 0.00 C ATOM 0 HA PRO A 2 -24.346 -2.962 -17.306 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.801 -2.682 -16.305 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.104 -2.266 -17.981 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.990 -0.386 -15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -21.221 -0.182 -17.127 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -23.629 1.007 -16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -23.228 0.489 -18.184 1.00 0.00 H new ATOM 24 N GLY A 3 -24.961 -1.811 -14.500 1.00 0.00 N ATOM 25 CA GLY A 3 -25.257 -2.056 -13.077 1.00 0.00 C ATOM 26 C GLY A 3 -24.180 -1.561 -12.097 1.00 0.00 C ATOM 27 O GLY A 3 -24.183 -1.950 -10.926 1.00 0.00 O ATOM 0 H GLY A 3 -25.399 -0.962 -14.857 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -26.202 -1.573 -12.829 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -25.397 -3.127 -12.929 1.00 0.00 H new ATOM 31 N SER A 4 -23.261 -0.707 -12.565 1.00 0.00 N ATOM 32 CA SER A 4 -22.186 -0.071 -11.784 1.00 0.00 C ATOM 33 C SER A 4 -21.812 1.295 -12.373 1.00 0.00 C ATOM 34 O SER A 4 -21.965 1.521 -13.577 1.00 0.00 O ATOM 35 CB SER A 4 -20.960 -0.991 -11.733 1.00 0.00 C ATOM 36 OG SER A 4 -19.894 -0.389 -11.014 1.00 0.00 O ATOM 0 H SER A 4 -23.244 -0.426 -13.545 1.00 0.00 H new ATOM 0 HA SER A 4 -22.547 0.092 -10.769 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.231 -1.936 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 4 -20.633 -1.222 -12.747 1.00 0.00 H new ATOM 0 HG SER A 4 -19.067 -0.458 -11.536 1.00 0.00 H new ATOM 42 N MET A 5 -21.307 2.206 -11.535 1.00 0.00 N ATOM 43 CA MET A 5 -20.745 3.494 -11.968 1.00 0.00 C ATOM 44 C MET A 5 -19.347 3.354 -12.599 1.00 0.00 C ATOM 45 O MET A 5 -18.938 4.225 -13.368 1.00 0.00 O ATOM 46 CB MET A 5 -20.681 4.460 -10.776 1.00 0.00 C ATOM 47 CG MET A 5 -22.048 4.762 -10.142 1.00 0.00 C ATOM 48 SD MET A 5 -23.304 5.495 -11.232 1.00 0.00 S ATOM 49 CE MET A 5 -22.576 7.128 -11.546 1.00 0.00 C ATOM 0 H MET A 5 -21.276 2.070 -10.525 1.00 0.00 H new ATOM 0 HA MET A 5 -21.407 3.888 -12.739 1.00 0.00 H new ATOM 0 HB2 MET A 5 -20.024 4.039 -10.015 1.00 0.00 H new ATOM 0 HB3 MET A 5 -20.229 5.396 -11.104 1.00 0.00 H new ATOM 0 HG2 MET A 5 -22.449 3.833 -9.737 1.00 0.00 H new ATOM 0 HG3 MET A 5 -21.892 5.436 -9.300 1.00 0.00 H new ATOM 0 HE1 MET A 5 -23.249 7.712 -12.173 1.00 0.00 H new ATOM 0 HE2 MET A 5 -22.421 7.646 -10.599 1.00 0.00 H new ATOM 0 HE3 MET A 5 -21.619 7.008 -12.054 1.00 0.00 H new ATOM 59 N ASN A 6 -18.618 2.276 -12.267 1.00 0.00 N ATOM 60 CA ASN A 6 -17.218 1.953 -12.621 1.00 0.00 C ATOM 61 C ASN A 6 -16.140 2.960 -12.158 1.00 0.00 C ATOM 62 O ASN A 6 -15.073 2.543 -11.698 1.00 0.00 O ATOM 63 CB ASN A 6 -17.111 1.628 -14.123 1.00 0.00 C ATOM 64 CG ASN A 6 -18.051 0.522 -14.581 1.00 0.00 C ATOM 65 OD1 ASN A 6 -19.017 0.747 -15.297 1.00 0.00 O ATOM 66 ND2 ASN A 6 -17.805 -0.712 -14.191 1.00 0.00 N ATOM 0 H ASN A 6 -19.027 1.539 -11.692 1.00 0.00 H new ATOM 0 HA ASN A 6 -16.977 1.067 -12.034 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -17.321 2.531 -14.696 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.085 1.337 -14.350 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -18.418 -1.472 -14.486 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -17.001 -0.908 -13.594 1.00 0.00 H new ATOM 73 N LYS A 7 -16.395 4.271 -12.253 1.00 0.00 N ATOM 74 CA LYS A 7 -15.543 5.368 -11.762 1.00 0.00 C ATOM 75 C LYS A 7 -15.517 5.447 -10.220 1.00 0.00 C ATOM 76 O LYS A 7 -16.455 4.964 -9.578 1.00 0.00 O ATOM 77 CB LYS A 7 -16.056 6.702 -12.352 1.00 0.00 C ATOM 78 CG LYS A 7 -15.940 6.760 -13.884 1.00 0.00 C ATOM 79 CD LYS A 7 -16.416 8.124 -14.400 1.00 0.00 C ATOM 80 CE LYS A 7 -16.433 8.190 -15.934 1.00 0.00 C ATOM 81 NZ LYS A 7 -15.068 8.187 -16.518 1.00 0.00 N1+ ATOM 0 H LYS A 7 -17.246 4.616 -12.698 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.521 5.174 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.098 6.844 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.491 7.527 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.906 6.590 -14.184 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.537 5.965 -14.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.417 8.326 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.763 8.906 -14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.994 7.341 -16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.958 9.091 -16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.134 8.233 -17.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.539 9.011 -16.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.574 7.315 -16.241 1.00 0.00 H new ATOM 95 N PRO A 8 -14.500 6.092 -9.606 1.00 0.00 N ATOM 96 CA PRO A 8 -14.470 6.345 -8.162 1.00 0.00 C ATOM 97 C PRO A 8 -15.686 7.161 -7.680 1.00 0.00 C ATOM 98 O PRO A 8 -16.149 8.073 -8.372 1.00 0.00 O ATOM 99 CB PRO A 8 -13.155 7.090 -7.897 1.00 0.00 C ATOM 100 CG PRO A 8 -12.270 6.697 -9.079 1.00 0.00 C ATOM 101 CD PRO A 8 -13.272 6.576 -10.219 1.00 0.00 C ATOM 0 HA PRO A 8 -14.523 5.409 -7.607 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.308 8.168 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.710 6.792 -6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.511 7.451 -9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.746 5.758 -8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.429 7.538 -10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.916 5.885 -10.983 1.00 0.00 H new ATOM 109 N THR A 9 -16.199 6.845 -6.488 1.00 0.00 N ATOM 110 CA THR A 9 -17.363 7.530 -5.895 1.00 0.00 C ATOM 111 C THR A 9 -17.021 8.936 -5.361 1.00 0.00 C ATOM 112 O THR A 9 -15.880 9.199 -4.966 1.00 0.00 O ATOM 113 CB THR A 9 -18.045 6.652 -4.833 1.00 0.00 C ATOM 114 OG1 THR A 9 -19.305 7.188 -4.479 1.00 0.00 O ATOM 115 CG2 THR A 9 -17.238 6.496 -3.545 1.00 0.00 C ATOM 0 H THR A 9 -15.820 6.103 -5.899 1.00 0.00 H new ATOM 0 HA THR A 9 -18.082 7.687 -6.699 1.00 0.00 H new ATOM 0 HB THR A 9 -18.139 5.671 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 9 -19.726 6.616 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.786 5.863 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.276 6.037 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.076 7.476 -3.096 1.00 0.00 H new ATOM 123 N SER A 10 -18.003 9.843 -5.368 1.00 0.00 N ATOM 124 CA SER A 10 -17.880 11.239 -4.914 1.00 0.00 C ATOM 125 C SER A 10 -17.707 11.361 -3.392 1.00 0.00 C ATOM 126 O SER A 10 -18.037 10.444 -2.629 1.00 0.00 O ATOM 127 CB SER A 10 -19.113 12.045 -5.356 1.00 0.00 C ATOM 128 OG SER A 10 -19.335 11.942 -6.756 1.00 0.00 O ATOM 0 H SER A 10 -18.941 9.621 -5.701 1.00 0.00 H new ATOM 0 HA SER A 10 -16.978 11.641 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.993 11.687 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.979 13.092 -5.085 1.00 0.00 H new ATOM 0 HG SER A 10 -20.127 12.465 -7.001 1.00 0.00 H new ATOM 134 N SER A 11 -17.239 12.531 -2.933 1.00 0.00 N ATOM 135 CA SER A 11 -17.020 12.864 -1.512 1.00 0.00 C ATOM 136 C SER A 11 -16.038 11.898 -0.803 1.00 0.00 C ATOM 137 O SER A 11 -15.240 11.216 -1.451 1.00 0.00 O ATOM 138 CB SER A 11 -18.388 13.016 -0.820 1.00 0.00 C ATOM 139 OG SER A 11 -18.283 13.638 0.455 1.00 0.00 O ATOM 0 H SER A 11 -16.994 13.298 -3.559 1.00 0.00 H new ATOM 0 HA SER A 11 -16.506 13.822 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.050 13.604 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 11 -18.846 12.033 -0.706 1.00 0.00 H new ATOM 0 HG SER A 11 -19.174 13.715 0.856 1.00 0.00 H new ATOM 145 N ASP A 12 -16.058 11.846 0.529 1.00 0.00 N ATOM 146 CA ASP A 12 -15.103 11.106 1.377 1.00 0.00 C ATOM 147 C ASP A 12 -15.133 9.571 1.204 1.00 0.00 C ATOM 148 O ASP A 12 -14.230 8.882 1.680 1.00 0.00 O ATOM 149 CB ASP A 12 -15.352 11.466 2.853 1.00 0.00 C ATOM 150 CG ASP A 12 -15.217 12.957 3.203 1.00 0.00 C ATOM 151 OD1 ASP A 12 -15.744 13.363 4.267 1.00 0.00 O ATOM 152 OD2 ASP A 12 -14.557 13.727 2.464 1.00 0.00 O1- ATOM 0 H ASP A 12 -16.766 12.336 1.076 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.110 11.416 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.355 11.136 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.653 10.901 3.469 1.00 0.00 H new ATOM 157 N GLY A 13 -16.154 9.026 0.532 1.00 0.00 N ATOM 158 CA GLY A 13 -16.353 7.589 0.308 1.00 0.00 C ATOM 159 C GLY A 13 -15.379 6.925 -0.678 1.00 0.00 C ATOM 160 O GLY A 13 -15.444 5.709 -0.856 1.00 0.00 O ATOM 0 H GLY A 13 -16.891 9.594 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.275 7.077 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.369 7.434 -0.055 1.00 0.00 H new ATOM 164 N TRP A 14 -14.453 7.673 -1.296 1.00 0.00 N ATOM 165 CA TRP A 14 -13.442 7.177 -2.253 1.00 0.00 C ATOM 166 C TRP A 14 -12.591 6.007 -1.719 1.00 0.00 C ATOM 167 O TRP A 14 -12.090 5.196 -2.506 1.00 0.00 O ATOM 168 CB TRP A 14 -12.538 8.357 -2.661 1.00 0.00 C ATOM 169 CG TRP A 14 -11.689 8.950 -1.560 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.983 10.067 -0.858 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.413 8.471 -1.016 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.004 10.295 0.091 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.023 9.335 0.054 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.539 7.408 -1.324 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.860 9.124 0.810 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.373 7.180 -0.571 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.036 8.027 0.502 1.00 0.00 C ATOM 0 H TRP A 14 -14.382 8.678 -1.140 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.977 6.773 -3.112 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.879 8.024 -3.462 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.167 9.146 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.852 10.688 -1.015 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.010 11.082 0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.769 6.756 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.602 9.794 1.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.731 6.348 -0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.148 7.835 1.086 1.00 0.00 H new ATOM 188 N LYS A 15 -12.452 5.903 -0.393 1.00 0.00 N ATOM 189 CA LYS A 15 -11.645 4.900 0.326 1.00 0.00 C ATOM 190 C LYS A 15 -12.054 3.456 0.019 1.00 0.00 C ATOM 191 O LYS A 15 -11.189 2.592 -0.095 1.00 0.00 O ATOM 192 CB LYS A 15 -11.753 5.158 1.840 1.00 0.00 C ATOM 193 CG LYS A 15 -11.330 6.581 2.231 1.00 0.00 C ATOM 194 CD LYS A 15 -11.430 6.796 3.750 1.00 0.00 C ATOM 195 CE LYS A 15 -11.168 8.261 4.113 1.00 0.00 C ATOM 196 NZ LYS A 15 -12.370 9.108 3.873 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.921 6.547 0.244 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.616 5.010 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.781 4.988 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.130 4.439 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.306 6.762 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.962 7.305 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.420 6.502 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.710 6.156 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.876 8.330 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.332 8.639 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.081 10.103 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.842 8.802 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.028 9.012 4.673 1.00 0.00 H new ATOM 210 N ASP A 16 -13.350 3.192 -0.153 1.00 0.00 N ATOM 211 CA ASP A 16 -13.892 1.859 -0.453 1.00 0.00 C ATOM 212 C ASP A 16 -13.447 1.367 -1.844 1.00 0.00 C ATOM 213 O ASP A 16 -13.007 0.226 -2.008 1.00 0.00 O ATOM 214 CB ASP A 16 -15.428 1.920 -0.346 1.00 0.00 C ATOM 215 CG ASP A 16 -16.122 0.550 -0.482 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.540 -0.492 -0.092 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.293 0.512 -0.936 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.070 3.911 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.503 1.140 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.698 2.358 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.809 2.587 -1.119 1.00 0.00 H new ATOM 222 N ASP A 17 -13.496 2.245 -2.853 1.00 0.00 N ATOM 223 CA ASP A 17 -12.958 1.960 -4.188 1.00 0.00 C ATOM 224 C ASP A 17 -11.419 1.832 -4.175 1.00 0.00 C ATOM 225 O ASP A 17 -10.855 1.030 -4.924 1.00 0.00 O ATOM 226 CB ASP A 17 -13.413 3.053 -5.166 1.00 0.00 C ATOM 227 CG ASP A 17 -13.006 2.725 -6.612 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.419 1.662 -7.134 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.308 3.551 -7.245 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.910 3.173 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.348 0.997 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.496 3.165 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.978 4.008 -4.873 1.00 0.00 H new ATOM 234 N TYR A 18 -10.726 2.580 -3.301 1.00 0.00 N ATOM 235 CA TYR A 18 -9.270 2.498 -3.161 1.00 0.00 C ATOM 236 C TYR A 18 -8.822 1.142 -2.577 1.00 0.00 C ATOM 237 O TYR A 18 -7.950 0.486 -3.140 1.00 0.00 O ATOM 238 CB TYR A 18 -8.726 3.687 -2.357 1.00 0.00 C ATOM 239 CG TYR A 18 -7.297 4.047 -2.722 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.045 4.623 -3.983 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.228 3.780 -1.845 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.726 4.919 -4.378 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.907 4.081 -2.233 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.653 4.642 -3.505 1.00 0.00 C ATOM 245 OH TYR A 18 -3.376 4.912 -3.891 1.00 0.00 O ATOM 0 H TYR A 18 -11.162 3.256 -2.674 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.838 2.558 -4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.366 4.553 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.775 3.452 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.867 4.838 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.420 3.345 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.536 5.357 -5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.088 3.883 -1.558 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.375 5.673 -4.508 1.00 0.00 H new ATOM 255 N LEU A 19 -9.484 0.652 -1.526 1.00 0.00 N ATOM 256 CA LEU A 19 -9.299 -0.720 -1.016 1.00 0.00 C ATOM 257 C LEU A 19 -9.601 -1.781 -2.096 1.00 0.00 C ATOM 258 O LEU A 19 -8.848 -2.748 -2.237 1.00 0.00 O ATOM 259 CB LEU A 19 -10.188 -0.924 0.231 1.00 0.00 C ATOM 260 CG LEU A 19 -9.459 -0.695 1.569 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.768 0.668 1.694 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.446 -0.841 2.734 1.00 0.00 C ATOM 0 H LEU A 19 -10.168 1.194 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.253 -0.849 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.039 -0.245 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.588 -1.938 0.217 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.676 -1.453 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.281 0.741 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.022 0.771 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.509 1.462 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.923 -0.678 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.244 -0.106 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.873 -1.844 2.725 1.00 0.00 H new ATOM 274 N SER A 20 -10.646 -1.582 -2.905 1.00 0.00 N ATOM 275 CA SER A 20 -11.001 -2.495 -4.005 1.00 0.00 C ATOM 276 C SER A 20 -9.920 -2.578 -5.092 1.00 0.00 C ATOM 277 O SER A 20 -9.555 -3.683 -5.503 1.00 0.00 O ATOM 278 CB SER A 20 -12.345 -2.086 -4.619 1.00 0.00 C ATOM 279 OG SER A 20 -12.728 -2.991 -5.648 1.00 0.00 O ATOM 0 H SER A 20 -11.273 -0.782 -2.818 1.00 0.00 H new ATOM 0 HA SER A 20 -11.083 -3.492 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.112 -2.064 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.272 -1.077 -5.025 1.00 0.00 H new ATOM 0 HG SER A 20 -13.589 -2.712 -6.025 1.00 0.00 H new ATOM 285 N ARG A 21 -9.349 -1.443 -5.535 1.00 0.00 N ATOM 286 CA ARG A 21 -8.276 -1.431 -6.560 1.00 0.00 C ATOM 287 C ARG A 21 -6.931 -1.934 -6.025 1.00 0.00 C ATOM 288 O ARG A 21 -6.232 -2.657 -6.733 1.00 0.00 O ATOM 289 CB ARG A 21 -8.184 -0.060 -7.256 1.00 0.00 C ATOM 290 CG ARG A 21 -7.461 1.031 -6.450 1.00 0.00 C ATOM 291 CD ARG A 21 -7.474 2.396 -7.155 1.00 0.00 C ATOM 292 NE ARG A 21 -6.637 2.409 -8.367 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.333 2.609 -8.438 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.589 2.809 -7.383 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -4.733 2.615 -9.594 1.00 0.00 N ATOM 0 H ARG A 21 -9.611 -0.516 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.556 -2.153 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.670 -0.187 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.193 0.285 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.933 1.127 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.429 0.726 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.499 2.655 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.121 3.162 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.118 2.245 -9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.012 2.815 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.586 2.959 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.270 2.465 -10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.726 2.770 -9.645 1.00 0.00 H new ATOM 309 N LEU A 22 -6.600 -1.632 -4.763 1.00 0.00 N ATOM 310 CA LEU A 22 -5.385 -2.124 -4.082 1.00 0.00 C ATOM 311 C LEU A 22 -5.338 -3.661 -3.983 1.00 0.00 C ATOM 312 O LEU A 22 -4.249 -4.241 -3.995 1.00 0.00 O ATOM 313 CB LEU A 22 -5.291 -1.477 -2.686 1.00 0.00 C ATOM 314 CG LEU A 22 -4.477 -0.166 -2.598 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.640 0.832 -3.752 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.853 0.564 -1.308 1.00 0.00 C ATOM 0 H LEU A 22 -7.175 -1.030 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.522 -1.835 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.302 -1.277 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.850 -2.201 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.439 -0.496 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.016 1.707 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.336 0.360 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.683 1.139 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.284 1.491 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.919 0.792 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.624 -0.070 -0.451 1.00 0.00 H new ATOM 328 N SER A 23 -6.498 -4.328 -3.950 1.00 0.00 N ATOM 329 CA SER A 23 -6.610 -5.790 -3.951 1.00 0.00 C ATOM 330 C SER A 23 -6.114 -6.472 -5.239 1.00 0.00 C ATOM 331 O SER A 23 -5.763 -7.656 -5.212 1.00 0.00 O ATOM 332 CB SER A 23 -8.079 -6.174 -3.708 1.00 0.00 C ATOM 333 OG SER A 23 -8.191 -7.537 -3.339 1.00 0.00 O ATOM 0 H SER A 23 -7.402 -3.857 -3.921 1.00 0.00 H new ATOM 0 HA SER A 23 -5.956 -6.147 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.498 -5.545 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.662 -5.988 -4.610 1.00 0.00 H new ATOM 0 HG SER A 23 -9.134 -7.759 -3.188 1.00 0.00 H new ATOM 339 N ARG A 24 -6.096 -5.754 -6.375 1.00 0.00 N ATOM 340 CA ARG A 24 -5.869 -6.331 -7.718 1.00 0.00 C ATOM 341 C ARG A 24 -4.394 -6.524 -8.071 1.00 0.00 C ATOM 342 O ARG A 24 -4.060 -7.336 -8.939 1.00 0.00 O ATOM 343 CB ARG A 24 -6.553 -5.449 -8.782 1.00 0.00 C ATOM 344 CG ARG A 24 -7.986 -4.995 -8.446 1.00 0.00 C ATOM 345 CD ARG A 24 -8.914 -6.123 -7.985 1.00 0.00 C ATOM 346 NE ARG A 24 -10.219 -5.579 -7.557 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.428 -5.911 -7.963 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.635 -6.830 -8.864 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.471 -5.311 -7.465 1.00 0.00 N ATOM 0 H ARG A 24 -6.240 -4.744 -6.390 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.308 -7.329 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.939 -4.563 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.576 -5.998 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.940 -4.236 -7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.420 -4.521 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.059 -6.836 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.453 -6.667 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.179 -4.845 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.845 -7.322 -9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.587 -7.058 -9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.353 -4.583 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.406 -5.569 -7.780 1.00 0.00 H new ATOM 363 N LEU A 25 -3.520 -5.771 -7.408 1.00 0.00 N ATOM 364 CA LEU A 25 -2.063 -5.778 -7.614 1.00 0.00 C ATOM 365 C LEU A 25 -1.399 -7.071 -7.101 1.00 0.00 C ATOM 366 O LEU A 25 -1.796 -7.637 -6.076 1.00 0.00 O ATOM 367 CB LEU A 25 -1.418 -4.549 -6.937 1.00 0.00 C ATOM 368 CG LEU A 25 -1.652 -3.162 -7.568 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.492 -3.134 -9.088 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.023 -2.580 -7.233 1.00 0.00 C ATOM 0 H LEU A 25 -3.811 -5.113 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.896 -5.733 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.775 -4.511 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.342 -4.718 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.868 -2.551 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.673 -2.123 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.480 -3.441 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.209 -3.818 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.129 -1.603 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.802 -3.248 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.119 -2.473 -6.152 1.00 0.00 H new ATOM 382 N SER A 26 -0.349 -7.512 -7.803 1.00 0.00 N ATOM 383 CA SER A 26 0.557 -8.588 -7.364 1.00 0.00 C ATOM 384 C SER A 26 1.406 -8.167 -6.148 1.00 0.00 C ATOM 385 O SER A 26 1.490 -6.976 -5.827 1.00 0.00 O ATOM 386 CB SER A 26 1.434 -9.011 -8.549 1.00 0.00 C ATOM 387 OG SER A 26 2.244 -10.125 -8.216 1.00 0.00 O ATOM 0 H SER A 26 -0.097 -7.125 -8.712 1.00 0.00 H new ATOM 0 HA SER A 26 -0.038 -9.440 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.802 -9.260 -9.402 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.066 -8.177 -8.853 1.00 0.00 H new ATOM 0 HG SER A 26 2.791 -10.374 -8.990 1.00 0.00 H new ATOM 393 N LYS A 27 2.068 -9.119 -5.476 1.00 0.00 N ATOM 394 CA LYS A 27 2.846 -8.881 -4.242 1.00 0.00 C ATOM 395 C LYS A 27 3.972 -7.854 -4.409 1.00 0.00 C ATOM 396 O LYS A 27 4.174 -7.014 -3.535 1.00 0.00 O ATOM 397 CB LYS A 27 3.381 -10.228 -3.718 1.00 0.00 C ATOM 398 CG LYS A 27 4.100 -10.160 -2.353 1.00 0.00 C ATOM 399 CD LYS A 27 3.201 -9.664 -1.205 1.00 0.00 C ATOM 400 CE LYS A 27 3.948 -9.525 0.125 1.00 0.00 C ATOM 401 NZ LYS A 27 4.383 -10.823 0.700 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.081 -10.094 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 27 2.172 -8.438 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.548 -10.926 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.071 -10.639 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.481 -11.150 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.963 -9.499 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.773 -8.699 -1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.369 -10.357 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.822 -8.891 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.304 -9.017 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.550 -10.712 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.642 -11.537 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.262 -11.131 0.237 1.00 0.00 H new ATOM 415 N ASN A 28 4.677 -7.869 -5.539 1.00 0.00 N ATOM 416 CA ASN A 28 5.684 -6.853 -5.861 1.00 0.00 C ATOM 417 C ASN A 28 5.052 -5.487 -6.193 1.00 0.00 C ATOM 418 O ASN A 28 5.565 -4.441 -5.794 1.00 0.00 O ATOM 419 CB ASN A 28 6.533 -7.382 -7.022 1.00 0.00 C ATOM 420 CG ASN A 28 7.708 -6.470 -7.343 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.502 -6.118 -6.480 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.855 -6.059 -8.584 1.00 0.00 N ATOM 0 H ASN A 28 4.568 -8.584 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 28 6.313 -6.677 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.905 -8.376 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.907 -7.489 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.632 -5.445 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.192 -6.354 -9.301 1.00 0.00 H new ATOM 429 N GLN A 29 3.918 -5.497 -6.902 1.00 0.00 N ATOM 430 CA GLN A 29 3.232 -4.294 -7.382 1.00 0.00 C ATOM 431 C GLN A 29 2.570 -3.487 -6.247 1.00 0.00 C ATOM 432 O GLN A 29 2.680 -2.260 -6.233 1.00 0.00 O ATOM 433 CB GLN A 29 2.189 -4.683 -8.434 1.00 0.00 C ATOM 434 CG GLN A 29 2.786 -5.281 -9.716 1.00 0.00 C ATOM 435 CD GLN A 29 1.720 -5.850 -10.661 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.591 -6.146 -10.287 1.00 0.00 O ATOM 437 NE2 GLN A 29 2.044 -6.049 -11.923 1.00 0.00 N ATOM 0 H GLN A 29 3.442 -6.360 -7.163 1.00 0.00 H new ATOM 0 HA GLN A 29 3.988 -3.645 -7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.499 -5.404 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.605 -3.800 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.355 -4.512 -10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.488 -6.071 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.979 -5.809 -12.254 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.360 -6.443 -12.569 1.00 0.00 H new ATOM 446 N LEU A 30 1.932 -4.143 -5.269 1.00 0.00 N ATOM 447 CA LEU A 30 1.354 -3.468 -4.090 1.00 0.00 C ATOM 448 C LEU A 30 2.428 -2.786 -3.225 1.00 0.00 C ATOM 449 O LEU A 30 2.180 -1.720 -2.660 1.00 0.00 O ATOM 450 CB LEU A 30 0.456 -4.437 -3.288 1.00 0.00 C ATOM 451 CG LEU A 30 1.136 -5.650 -2.618 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.678 -5.371 -1.210 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.135 -6.806 -2.501 1.00 0.00 C ATOM 0 H LEU A 30 1.800 -5.154 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 30 0.714 -2.661 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.048 -3.863 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.317 -4.813 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 30 1.983 -5.895 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.139 -6.275 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.421 -4.575 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.859 -5.065 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.619 -7.660 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.716 -6.491 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.211 -7.090 -3.495 1.00 0.00 H new ATOM 465 N MET A 31 3.640 -3.354 -3.164 1.00 0.00 N ATOM 466 CA MET A 31 4.775 -2.737 -2.469 1.00 0.00 C ATOM 467 C MET A 31 5.363 -1.564 -3.262 1.00 0.00 C ATOM 468 O MET A 31 5.641 -0.522 -2.672 1.00 0.00 O ATOM 469 CB MET A 31 5.856 -3.780 -2.152 1.00 0.00 C ATOM 470 CG MET A 31 5.370 -4.754 -1.077 1.00 0.00 C ATOM 471 SD MET A 31 6.667 -5.790 -0.368 1.00 0.00 S ATOM 472 CE MET A 31 6.708 -7.129 -1.583 1.00 0.00 C ATOM 0 H MET A 31 3.860 -4.252 -3.594 1.00 0.00 H new ATOM 0 HA MET A 31 4.399 -2.335 -1.528 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.115 -4.329 -3.057 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.763 -3.279 -1.813 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.897 -4.186 -0.276 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.602 -5.397 -1.507 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.424 -7.887 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.718 -7.577 -1.664 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.007 -6.731 -2.553 1.00 0.00 H new ATOM 482 N ALA A 32 5.478 -1.680 -4.588 1.00 0.00 N ATOM 483 CA ALA A 32 5.879 -0.562 -5.450 1.00 0.00 C ATOM 484 C ALA A 32 4.882 0.613 -5.370 1.00 0.00 C ATOM 485 O ALA A 32 5.309 1.767 -5.293 1.00 0.00 O ATOM 486 CB ALA A 32 6.028 -1.087 -6.883 1.00 0.00 C ATOM 0 H ALA A 32 5.297 -2.547 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 32 6.834 -0.164 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.326 -0.270 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.788 -1.868 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.076 -1.496 -7.221 1.00 0.00 H new ATOM 492 N LEU A 33 3.572 0.333 -5.301 1.00 0.00 N ATOM 493 CA LEU A 33 2.514 1.326 -5.094 1.00 0.00 C ATOM 494 C LEU A 33 2.685 2.048 -3.748 1.00 0.00 C ATOM 495 O LEU A 33 2.773 3.278 -3.715 1.00 0.00 O ATOM 496 CB LEU A 33 1.147 0.610 -5.254 1.00 0.00 C ATOM 497 CG LEU A 33 -0.148 1.444 -5.143 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.498 1.872 -3.716 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.129 2.664 -6.061 1.00 0.00 C ATOM 0 H LEU A 33 3.212 -0.617 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 33 2.571 2.118 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.142 0.122 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.097 -0.178 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.934 0.764 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.420 2.453 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.633 0.987 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.310 2.481 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.060 3.219 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.711 3.306 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.024 2.339 -7.096 1.00 0.00 H new ATOM 511 N ALA A 34 2.786 1.307 -2.640 1.00 0.00 N ATOM 512 CA ALA A 34 2.952 1.880 -1.303 1.00 0.00 C ATOM 513 C ALA A 34 4.261 2.684 -1.162 1.00 0.00 C ATOM 514 O ALA A 34 4.253 3.768 -0.582 1.00 0.00 O ATOM 515 CB ALA A 34 2.868 0.735 -0.286 1.00 0.00 C ATOM 0 H ALA A 34 2.755 0.288 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 34 2.156 2.601 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.989 1.134 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.898 0.245 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.658 0.011 -0.487 1.00 0.00 H new ATOM 521 N LEU A 35 5.371 2.209 -1.738 1.00 0.00 N ATOM 522 CA LEU A 35 6.659 2.916 -1.755 1.00 0.00 C ATOM 523 C LEU A 35 6.579 4.222 -2.567 1.00 0.00 C ATOM 524 O LEU A 35 7.038 5.272 -2.108 1.00 0.00 O ATOM 525 CB LEU A 35 7.728 1.927 -2.274 1.00 0.00 C ATOM 526 CG LEU A 35 9.217 2.300 -2.128 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.671 3.504 -2.957 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.596 2.530 -0.671 1.00 0.00 C ATOM 0 H LEU A 35 5.401 1.307 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 35 6.938 3.237 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.574 0.976 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.533 1.755 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 35 9.741 1.432 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.732 3.685 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.504 3.301 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.100 4.385 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.652 2.791 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.996 3.343 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.411 1.621 -0.099 1.00 0.00 H new ATOM 540 N LYS A 36 5.927 4.189 -3.739 1.00 0.00 N ATOM 541 CA LYS A 36 5.673 5.367 -4.589 1.00 0.00 C ATOM 542 C LYS A 36 4.798 6.415 -3.887 1.00 0.00 C ATOM 543 O LYS A 36 5.054 7.614 -4.022 1.00 0.00 O ATOM 544 CB LYS A 36 5.065 4.892 -5.918 1.00 0.00 C ATOM 545 CG LYS A 36 4.849 6.030 -6.926 1.00 0.00 C ATOM 546 CD LYS A 36 4.430 5.523 -8.314 1.00 0.00 C ATOM 547 CE LYS A 36 3.067 4.815 -8.289 1.00 0.00 C ATOM 548 NZ LYS A 36 2.640 4.394 -9.651 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.553 3.326 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 36 6.617 5.873 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.719 4.142 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.110 4.405 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.084 6.707 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.769 6.608 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.388 6.363 -9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.187 4.836 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.122 3.942 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.318 5.483 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.716 3.920 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.563 5.230 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.342 3.737 -10.047 1.00 0.00 H new ATOM 562 N LEU A 37 3.805 5.998 -3.103 1.00 0.00 N ATOM 563 CA LEU A 37 3.041 6.885 -2.208 1.00 0.00 C ATOM 564 C LEU A 37 3.921 7.441 -1.075 1.00 0.00 C ATOM 565 O LEU A 37 3.816 8.626 -0.756 1.00 0.00 O ATOM 566 CB LEU A 37 1.832 6.127 -1.630 1.00 0.00 C ATOM 567 CG LEU A 37 0.512 6.380 -2.378 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.544 5.971 -3.847 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.613 5.618 -1.683 1.00 0.00 C ATOM 0 H LEU A 37 3.500 5.025 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 37 2.687 7.734 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.046 5.058 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.705 6.411 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 37 0.348 7.457 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.423 6.181 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.320 6.535 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.758 4.905 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.551 5.794 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.388 4.551 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.704 5.964 -0.653 1.00 0.00 H new ATOM 581 N LYS A 38 4.793 6.612 -0.478 1.00 0.00 N ATOM 582 CA LYS A 38 5.633 7.007 0.664 1.00 0.00 C ATOM 583 C LYS A 38 6.641 8.099 0.298 1.00 0.00 C ATOM 584 O LYS A 38 6.706 9.115 0.987 1.00 0.00 O ATOM 585 CB LYS A 38 6.320 5.775 1.286 1.00 0.00 C ATOM 586 CG LYS A 38 7.001 6.059 2.645 1.00 0.00 C ATOM 587 CD LYS A 38 6.022 6.597 3.696 1.00 0.00 C ATOM 588 CE LYS A 38 6.681 6.727 5.070 1.00 0.00 C ATOM 589 NZ LYS A 38 5.701 7.235 6.066 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.935 5.647 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 38 4.976 7.443 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.579 4.986 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.067 5.396 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.459 5.142 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.805 6.781 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.647 7.570 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.162 5.931 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.066 5.758 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.533 7.404 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.209 7.681 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.079 7.936 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.129 6.444 6.425 1.00 0.00 H new ATOM 603 N GLN A 39 7.377 7.942 -0.804 1.00 0.00 N ATOM 604 CA GLN A 39 8.330 8.970 -1.257 1.00 0.00 C ATOM 605 C GLN A 39 7.629 10.288 -1.654 1.00 0.00 C ATOM 606 O GLN A 39 8.189 11.365 -1.442 1.00 0.00 O ATOM 607 CB GLN A 39 9.229 8.418 -2.382 1.00 0.00 C ATOM 608 CG GLN A 39 8.498 8.114 -3.697 1.00 0.00 C ATOM 609 CD GLN A 39 9.449 7.623 -4.783 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.805 6.357 -4.790 1.00 0.00 O flip ATOM 611 NE2 GLN A 39 9.902 8.373 -5.642 1.00 0.00 N flip ATOM 0 H GLN A 39 7.335 7.116 -1.402 1.00 0.00 H new ATOM 0 HA GLN A 39 8.973 9.222 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.022 9.139 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.709 7.505 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.732 7.360 -3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.987 9.012 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.636 9.358 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.544 8.012 -6.347 1.00 0.00 H new ATOM 620 N GLN A 40 6.394 10.226 -2.171 1.00 0.00 N ATOM 621 CA GLN A 40 5.591 11.415 -2.486 1.00 0.00 C ATOM 622 C GLN A 40 5.164 12.190 -1.232 1.00 0.00 C ATOM 623 O GLN A 40 5.377 13.399 -1.179 1.00 0.00 O ATOM 624 CB GLN A 40 4.365 11.029 -3.326 1.00 0.00 C ATOM 625 CG GLN A 40 4.729 10.900 -4.815 1.00 0.00 C ATOM 626 CD GLN A 40 3.529 10.441 -5.639 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.922 11.189 -6.399 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.126 9.197 -5.505 1.00 0.00 N ATOM 0 H GLN A 40 5.923 9.347 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 40 6.227 12.082 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.957 10.085 -2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.585 11.781 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.085 11.860 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.547 10.189 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.622 8.565 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.317 8.864 -6.030 1.00 0.00 H new ATOM 637 N GLN A 41 4.621 11.534 -0.197 1.00 0.00 N ATOM 638 CA GLN A 41 4.201 12.236 1.028 1.00 0.00 C ATOM 639 C GLN A 41 5.379 12.850 1.818 1.00 0.00 C ATOM 640 O GLN A 41 5.188 13.827 2.542 1.00 0.00 O ATOM 641 CB GLN A 41 3.334 11.330 1.915 1.00 0.00 C ATOM 642 CG GLN A 41 4.070 10.126 2.533 1.00 0.00 C ATOM 643 CD GLN A 41 3.383 9.561 3.773 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.018 9.193 4.752 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.071 9.466 3.781 1.00 0.00 N ATOM 0 H GLN A 41 4.462 10.527 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 41 3.592 13.080 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.913 11.931 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.497 10.960 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.154 9.339 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.085 10.426 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.533 9.770 2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.592 9.088 4.598 1.00 0.00 H new ATOM 654 N LEU A 42 6.597 12.311 1.668 1.00 0.00 N ATOM 655 CA LEU A 42 7.821 12.870 2.245 1.00 0.00 C ATOM 656 C LEU A 42 8.278 14.156 1.523 1.00 0.00 C ATOM 657 O LEU A 42 8.876 15.034 2.150 1.00 0.00 O ATOM 658 CB LEU A 42 8.925 11.789 2.226 1.00 0.00 C ATOM 659 CG LEU A 42 9.104 11.037 3.560 1.00 0.00 C ATOM 660 CD1 LEU A 42 7.840 10.345 4.078 1.00 0.00 C ATOM 661 CD2 LEU A 42 10.194 9.971 3.403 1.00 0.00 C ATOM 0 H LEU A 42 6.759 11.459 1.132 1.00 0.00 H new ATOM 0 HA LEU A 42 7.616 13.163 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.695 11.066 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.871 12.258 1.958 1.00 0.00 H new ATOM 0 HG LEU A 42 9.371 11.802 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.060 9.842 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.058 11.087 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.501 9.612 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.321 9.439 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.904 9.266 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.134 10.449 3.127 1.00 0.00 H new ATOM 673 N GLU A 43 7.999 14.291 0.221 1.00 0.00 N ATOM 674 CA GLU A 43 8.341 15.478 -0.581 1.00 0.00 C ATOM 675 C GLU A 43 7.243 16.561 -0.562 1.00 0.00 C ATOM 676 O GLU A 43 7.551 17.756 -0.530 1.00 0.00 O ATOM 677 CB GLU A 43 8.621 15.039 -2.031 1.00 0.00 C ATOM 678 CG GLU A 43 9.904 14.207 -2.198 1.00 0.00 C ATOM 679 CD GLU A 43 11.200 15.046 -2.261 1.00 0.00 C ATOM 680 OE1 GLU A 43 11.260 16.171 -1.712 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.196 14.567 -2.862 1.00 0.00 O1- ATOM 0 H GLU A 43 7.521 13.568 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 43 9.227 15.930 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.774 14.457 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.691 15.926 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.979 13.505 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.823 13.615 -3.109 1.00 0.00 H new ATOM 688 N GLN A 44 5.967 16.160 -0.577 1.00 0.00 N ATOM 689 CA GLN A 44 4.802 17.057 -0.674 1.00 0.00 C ATOM 690 C GLN A 44 4.390 17.738 0.655 1.00 0.00 C ATOM 691 O GLN A 44 3.501 18.595 0.651 1.00 0.00 O ATOM 692 CB GLN A 44 3.629 16.272 -1.288 1.00 0.00 C ATOM 693 CG GLN A 44 3.870 15.925 -2.773 1.00 0.00 C ATOM 694 CD GLN A 44 2.728 15.144 -3.420 1.00 0.00 C ATOM 695 OE1 GLN A 44 2.407 15.327 -4.590 1.00 0.00 O ATOM 696 NE2 GLN A 44 2.055 14.256 -2.718 1.00 0.00 N ATOM 0 H GLN A 44 5.705 15.176 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 44 5.093 17.888 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.474 15.353 -0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.715 16.859 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.027 16.848 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.788 15.343 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.301 14.084 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.288 13.740 -3.149 1.00 0.00 H new ATOM 705 N GLY A 45 5.038 17.395 1.776 1.00 0.00 N ATOM 706 CA GLY A 45 4.808 17.985 3.110 1.00 0.00 C ATOM 707 C GLY A 45 6.053 17.984 3.997 1.00 0.00 C ATOM 708 O GLY A 45 6.979 18.781 3.726 1.00 0.00 O ATOM 709 OXT GLY A 45 6.084 17.207 4.975 1.00 0.00 O1- ATOM 0 H GLY A 45 5.761 16.676 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.457 19.010 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.013 17.433 3.611 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 4.603 11.502 15.357 1.00 0.00 N ATOM 715 CA GLY B 101 5.721 11.561 16.322 1.00 0.00 C ATOM 716 C GLY B 101 7.012 12.063 15.681 1.00 0.00 C ATOM 717 O GLY B 101 7.117 12.105 14.455 1.00 0.00 O ATOM 0 HA2 GLY B 101 5.450 12.217 17.150 1.00 0.00 H new ATOM 0 HA3 GLY B 101 5.888 10.569 16.742 1.00 0.00 H new ATOM 723 N PRO B 102 8.021 12.444 16.489 1.00 0.00 N ATOM 724 CA PRO B 102 9.296 13.011 16.020 1.00 0.00 C ATOM 725 C PRO B 102 10.275 11.985 15.404 1.00 0.00 C ATOM 726 O PRO B 102 11.293 12.384 14.832 1.00 0.00 O ATOM 727 CB PRO B 102 9.901 13.661 17.271 1.00 0.00 C ATOM 728 CG PRO B 102 9.405 12.773 18.407 1.00 0.00 C ATOM 729 CD PRO B 102 7.986 12.419 17.953 1.00 0.00 C ATOM 0 HA PRO B 102 9.116 13.707 15.201 1.00 0.00 H new ATOM 0 HB2 PRO B 102 10.990 13.684 17.225 1.00 0.00 H new ATOM 0 HB3 PRO B 102 9.565 14.691 17.391 1.00 0.00 H new ATOM 0 HG2 PRO B 102 10.026 11.885 18.529 1.00 0.00 H new ATOM 0 HG3 PRO B 102 9.407 13.297 19.363 1.00 0.00 H new ATOM 0 HD2 PRO B 102 7.691 11.436 18.321 1.00 0.00 H new ATOM 0 HD3 PRO B 102 7.261 13.135 18.340 1.00 0.00 H new ATOM 737 N GLY B 103 10.001 10.681 15.521 1.00 0.00 N ATOM 738 CA GLY B 103 10.913 9.600 15.124 1.00 0.00 C ATOM 739 C GLY B 103 11.997 9.302 16.169 1.00 0.00 C ATOM 740 O GLY B 103 11.871 9.690 17.339 1.00 0.00 O ATOM 0 H GLY B 103 9.119 10.339 15.903 1.00 0.00 H new ATOM 0 HA2 GLY B 103 10.334 8.694 14.944 1.00 0.00 H new ATOM 0 HA3 GLY B 103 11.391 9.866 14.181 1.00 0.00 H new ATOM 744 N SER B 104 13.065 8.612 15.751 1.00 0.00 N ATOM 745 CA SER B 104 14.174 8.174 16.621 1.00 0.00 C ATOM 746 C SER B 104 15.535 8.698 16.141 1.00 0.00 C ATOM 747 O SER B 104 15.804 8.763 14.935 1.00 0.00 O ATOM 748 CB SER B 104 14.215 6.638 16.690 1.00 0.00 C ATOM 749 OG SER B 104 13.007 6.117 17.226 1.00 0.00 O ATOM 0 H SER B 104 13.189 8.334 14.777 1.00 0.00 H new ATOM 0 HA SER B 104 13.987 8.590 17.611 1.00 0.00 H new ATOM 0 HB2 SER B 104 14.379 6.230 15.692 1.00 0.00 H new ATOM 0 HB3 SER B 104 15.056 6.321 17.306 1.00 0.00 H new ATOM 0 HG SER B 104 13.058 5.139 17.258 1.00 0.00 H new ATOM 755 N MET B 105 16.413 9.049 17.088 1.00 0.00 N ATOM 756 CA MET B 105 17.792 9.489 16.831 1.00 0.00 C ATOM 757 C MET B 105 18.811 8.337 16.991 1.00 0.00 C ATOM 758 O MET B 105 18.608 7.426 17.795 1.00 0.00 O ATOM 759 CB MET B 105 18.148 10.671 17.744 1.00 0.00 C ATOM 760 CG MET B 105 17.389 11.952 17.366 1.00 0.00 C ATOM 761 SD MET B 105 17.789 12.641 15.731 1.00 0.00 S ATOM 762 CE MET B 105 19.448 13.306 16.045 1.00 0.00 C ATOM 0 H MET B 105 16.179 9.035 18.081 1.00 0.00 H new ATOM 0 HA MET B 105 17.848 9.815 15.793 1.00 0.00 H new ATOM 0 HB2 MET B 105 17.922 10.409 18.778 1.00 0.00 H new ATOM 0 HB3 MET B 105 19.220 10.858 17.690 1.00 0.00 H new ATOM 0 HG2 MET B 105 16.320 11.745 17.403 1.00 0.00 H new ATOM 0 HG3 MET B 105 17.593 12.711 18.121 1.00 0.00 H new ATOM 0 HE1 MET B 105 19.556 14.266 15.541 1.00 0.00 H new ATOM 0 HE2 MET B 105 19.589 13.441 17.117 1.00 0.00 H new ATOM 0 HE3 MET B 105 20.197 12.611 15.665 1.00 0.00 H new ATOM 772 N ASN B 106 19.935 8.339 16.262 1.00 0.00 N ATOM 773 CA ASN B 106 20.289 9.272 15.176 1.00 0.00 C ATOM 774 C ASN B 106 19.450 9.027 13.902 1.00 0.00 C ATOM 775 O ASN B 106 19.042 7.891 13.625 1.00 0.00 O ATOM 776 CB ASN B 106 21.801 9.165 14.918 1.00 0.00 C ATOM 777 CG ASN B 106 22.331 10.219 13.963 1.00 0.00 C ATOM 778 OD1 ASN B 106 21.807 11.320 13.850 1.00 0.00 O ATOM 779 ND2 ASN B 106 23.379 9.927 13.225 1.00 0.00 N ATOM 0 H ASN B 106 20.668 7.648 16.422 1.00 0.00 H new ATOM 0 HA ASN B 106 20.052 10.292 15.479 1.00 0.00 H new ATOM 0 HB2 ASN B 106 22.330 9.248 15.867 1.00 0.00 H new ATOM 0 HB3 ASN B 106 22.023 8.177 14.515 1.00 0.00 H new ATOM 0 HD21 ASN B 106 23.747 10.614 12.567 1.00 0.00 H new ATOM 0 HD22 ASN B 106 23.824 9.013 13.310 1.00 0.00 H new ATOM 786 N LYS B 107 19.185 10.088 13.128 1.00 0.00 N ATOM 787 CA LYS B 107 18.397 10.056 11.883 1.00 0.00 C ATOM 788 C LYS B 107 19.044 9.180 10.783 1.00 0.00 C ATOM 789 O LYS B 107 20.277 9.080 10.737 1.00 0.00 O ATOM 790 CB LYS B 107 18.136 11.498 11.408 1.00 0.00 C ATOM 791 CG LYS B 107 19.409 12.271 11.015 1.00 0.00 C ATOM 792 CD LYS B 107 19.078 13.727 10.643 1.00 0.00 C ATOM 793 CE LYS B 107 20.335 14.516 10.247 1.00 0.00 C ATOM 794 NZ LYS B 107 21.229 14.775 11.408 1.00 0.00 N1+ ATOM 0 H LYS B 107 19.523 11.023 13.356 1.00 0.00 H new ATOM 0 HA LYS B 107 17.441 9.578 12.096 1.00 0.00 H new ATOM 0 HB2 LYS B 107 17.462 11.471 10.552 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.623 12.043 12.201 1.00 0.00 H new ATOM 0 HG2 LYS B 107 20.118 12.256 11.843 1.00 0.00 H new ATOM 0 HG3 LYS B 107 19.893 11.778 10.172 1.00 0.00 H new ATOM 0 HD2 LYS B 107 18.367 13.738 9.817 1.00 0.00 H new ATOM 0 HD3 LYS B 107 18.593 14.216 11.488 1.00 0.00 H new ATOM 0 HE2 LYS B 107 20.884 13.962 9.485 1.00 0.00 H new ATOM 0 HE3 LYS B 107 20.040 15.465 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 22.046 15.339 11.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 20.706 15.297 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 21.561 13.870 11.799 1.00 0.00 H new ATOM 808 N PRO B 108 18.253 8.556 9.885 1.00 0.00 N ATOM 809 CA PRO B 108 18.790 7.753 8.781 1.00 0.00 C ATOM 810 C PRO B 108 19.546 8.627 7.767 1.00 0.00 C ATOM 811 O PRO B 108 19.040 9.658 7.311 1.00 0.00 O ATOM 812 CB PRO B 108 17.576 7.058 8.154 1.00 0.00 C ATOM 813 CG PRO B 108 16.408 7.987 8.494 1.00 0.00 C ATOM 814 CD PRO B 108 16.792 8.545 9.861 1.00 0.00 C ATOM 0 HA PRO B 108 19.523 7.025 9.128 1.00 0.00 H new ATOM 0 HB2 PRO B 108 17.694 6.941 7.077 1.00 0.00 H new ATOM 0 HB3 PRO B 108 17.428 6.061 8.568 1.00 0.00 H new ATOM 0 HG2 PRO B 108 16.295 8.779 7.753 1.00 0.00 H new ATOM 0 HG3 PRO B 108 15.462 7.447 8.531 1.00 0.00 H new ATOM 0 HD2 PRO B 108 16.390 9.548 10.002 1.00 0.00 H new ATOM 0 HD3 PRO B 108 16.391 7.926 10.664 1.00 0.00 H new ATOM 822 N THR B 109 20.772 8.223 7.420 1.00 0.00 N ATOM 823 CA THR B 109 21.668 8.991 6.535 1.00 0.00 C ATOM 824 C THR B 109 21.372 8.800 5.037 1.00 0.00 C ATOM 825 O THR B 109 21.543 9.734 4.248 1.00 0.00 O ATOM 826 CB THR B 109 23.135 8.667 6.882 1.00 0.00 C ATOM 827 OG1 THR B 109 24.015 9.532 6.195 1.00 0.00 O ATOM 828 CG2 THR B 109 23.558 7.240 6.530 1.00 0.00 C ATOM 0 H THR B 109 21.179 7.346 7.746 1.00 0.00 H new ATOM 0 HA THR B 109 21.480 10.049 6.719 1.00 0.00 H new ATOM 0 HB THR B 109 23.194 8.794 7.963 1.00 0.00 H new ATOM 0 HG1 THR B 109 24.940 9.311 6.430 1.00 0.00 H new ATOM 0 HG21 THR B 109 24.602 7.092 6.805 1.00 0.00 H new ATOM 0 HG22 THR B 109 22.935 6.531 7.075 1.00 0.00 H new ATOM 0 HG23 THR B 109 23.439 7.079 5.459 1.00 0.00 H new ATOM 836 N SER B 110 20.910 7.610 4.627 1.00 0.00 N ATOM 837 CA SER B 110 20.690 7.261 3.217 1.00 0.00 C ATOM 838 C SER B 110 19.329 7.730 2.665 1.00 0.00 C ATOM 839 O SER B 110 18.300 7.631 3.343 1.00 0.00 O ATOM 840 CB SER B 110 20.822 5.751 3.012 1.00 0.00 C ATOM 841 OG SER B 110 20.715 5.423 1.629 1.00 0.00 O ATOM 0 H SER B 110 20.676 6.855 5.272 1.00 0.00 H new ATOM 0 HA SER B 110 21.461 7.792 2.659 1.00 0.00 H new ATOM 0 HB2 SER B 110 21.781 5.408 3.400 1.00 0.00 H new ATOM 0 HB3 SER B 110 20.046 5.232 3.576 1.00 0.00 H new ATOM 0 HG SER B 110 21.109 4.540 1.471 1.00 0.00 H new ATOM 847 N SER B 111 19.326 8.179 1.408 1.00 0.00 N ATOM 848 CA SER B 111 18.122 8.494 0.618 1.00 0.00 C ATOM 849 C SER B 111 17.457 7.258 -0.010 1.00 0.00 C ATOM 850 O SER B 111 16.326 7.361 -0.494 1.00 0.00 O ATOM 851 CB SER B 111 18.482 9.508 -0.476 1.00 0.00 C ATOM 852 OG SER B 111 19.494 8.996 -1.332 1.00 0.00 O ATOM 0 H SER B 111 20.189 8.341 0.889 1.00 0.00 H new ATOM 0 HA SER B 111 17.392 8.915 1.309 1.00 0.00 H new ATOM 0 HB2 SER B 111 17.594 9.748 -1.060 1.00 0.00 H new ATOM 0 HB3 SER B 111 18.823 10.436 -0.018 1.00 0.00 H new ATOM 0 HG SER B 111 19.705 9.659 -2.022 1.00 0.00 H new ATOM 858 N ASP B 112 18.107 6.085 0.023 1.00 0.00 N ATOM 859 CA ASP B 112 17.649 4.841 -0.618 1.00 0.00 C ATOM 860 C ASP B 112 17.622 3.617 0.316 1.00 0.00 C ATOM 861 O ASP B 112 16.782 2.740 0.125 1.00 0.00 O ATOM 862 CB ASP B 112 18.547 4.535 -1.826 1.00 0.00 C ATOM 863 CG ASP B 112 18.341 5.453 -3.043 1.00 0.00 C ATOM 864 OD1 ASP B 112 19.323 5.717 -3.778 1.00 0.00 O ATOM 865 OD2 ASP B 112 17.181 5.856 -3.318 1.00 0.00 O1- ATOM 0 H ASP B 112 18.995 5.971 0.512 1.00 0.00 H new ATOM 0 HA ASP B 112 16.616 5.017 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP B 112 19.588 4.603 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP B 112 18.375 3.504 -2.135 1.00 0.00 H new ATOM 870 N GLY B 113 18.484 3.548 1.338 1.00 0.00 N ATOM 871 CA GLY B 113 18.559 2.397 2.256 1.00 0.00 C ATOM 872 C GLY B 113 17.260 2.142 3.042 1.00 0.00 C ATOM 873 O GLY B 113 16.952 0.998 3.382 1.00 0.00 O ATOM 0 H GLY B 113 19.152 4.288 1.555 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.807 1.503 1.683 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.373 2.560 2.962 1.00 0.00 H new ATOM 877 N TRP B 114 16.455 3.189 3.260 1.00 0.00 N ATOM 878 CA TRP B 114 15.124 3.093 3.876 1.00 0.00 C ATOM 879 C TRP B 114 14.111 2.336 2.996 1.00 0.00 C ATOM 880 O TRP B 114 13.212 1.688 3.533 1.00 0.00 O ATOM 881 CB TRP B 114 14.614 4.506 4.201 1.00 0.00 C ATOM 882 CG TRP B 114 14.142 5.328 3.032 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.910 6.168 2.299 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.814 5.368 2.412 1.00 0.00 C ATOM 885 NE1 TRP B 114 14.137 6.764 1.321 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.843 6.299 1.328 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.590 4.706 2.649 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.717 6.561 0.528 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.458 4.951 1.853 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.519 5.878 0.793 1.00 0.00 C ATOM 0 H TRP B 114 16.714 4.143 3.009 1.00 0.00 H new ATOM 0 HA TRP B 114 15.223 2.512 4.793 1.00 0.00 H new ATOM 0 HB2 TRP B 114 13.792 4.418 4.912 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.413 5.052 4.703 1.00 0.00 H new ATOM 0 HD1 TRP B 114 15.964 6.345 2.455 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.486 7.467 0.670 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.522 3.996 3.460 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.773 7.277 -0.279 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.536 4.426 2.055 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.645 6.063 0.185 1.00 0.00 H new ATOM 901 N LYS B 115 14.256 2.383 1.658 1.00 0.00 N ATOM 902 CA LYS B 115 13.321 1.752 0.712 1.00 0.00 C ATOM 903 C LYS B 115 13.341 0.230 0.820 1.00 0.00 C ATOM 904 O LYS B 115 12.281 -0.399 0.808 1.00 0.00 O ATOM 905 CB LYS B 115 13.637 2.170 -0.733 1.00 0.00 C ATOM 906 CG LYS B 115 13.548 3.683 -0.992 1.00 0.00 C ATOM 907 CD LYS B 115 13.787 3.962 -2.485 1.00 0.00 C ATOM 908 CE LYS B 115 13.478 5.407 -2.891 1.00 0.00 C ATOM 909 NZ LYS B 115 14.569 6.351 -2.537 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.031 2.864 1.202 1.00 0.00 H new ATOM 0 HA LYS B 115 12.322 2.099 0.977 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.641 1.829 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.948 1.658 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.569 4.057 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.288 4.210 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.826 3.739 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.170 3.286 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS B 115 13.303 5.448 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS B 115 12.556 5.726 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.306 7.312 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.721 6.336 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 15.445 6.066 -3.020 1.00 0.00 H new ATOM 923 N ASP B 116 14.529 -0.357 0.981 1.00 0.00 N ATOM 924 CA ASP B 116 14.697 -1.804 1.178 1.00 0.00 C ATOM 925 C ASP B 116 14.066 -2.273 2.499 1.00 0.00 C ATOM 926 O ASP B 116 13.385 -3.296 2.524 1.00 0.00 O ATOM 927 CB ASP B 116 16.187 -2.182 1.141 1.00 0.00 C ATOM 928 CG ASP B 116 16.897 -1.956 -0.205 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.235 -1.810 -1.260 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.153 -1.958 -0.220 1.00 0.00 O1- ATOM 0 H ASP B 116 15.409 0.159 0.979 1.00 0.00 H new ATOM 0 HA ASP B 116 14.180 -2.309 0.362 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.708 -1.608 1.907 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.283 -3.234 1.410 1.00 0.00 H new ATOM 935 N ASP B 117 14.219 -1.502 3.577 1.00 0.00 N ATOM 936 CA ASP B 117 13.562 -1.778 4.867 1.00 0.00 C ATOM 937 C ASP B 117 12.032 -1.602 4.793 1.00 0.00 C ATOM 938 O ASP B 117 11.291 -2.383 5.398 1.00 0.00 O ATOM 939 CB ASP B 117 14.150 -0.874 5.967 1.00 0.00 C ATOM 940 CG ASP B 117 15.639 -1.108 6.281 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.210 -2.172 5.927 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.240 -0.237 6.954 1.00 0.00 O1- ATOM 0 H ASP B 117 14.802 -0.665 3.586 1.00 0.00 H new ATOM 0 HA ASP B 117 13.756 -2.822 5.113 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.017 0.166 5.670 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.575 -1.020 6.881 1.00 0.00 H new ATOM 947 N TYR B 118 11.536 -0.627 4.022 1.00 0.00 N ATOM 948 CA TYR B 118 10.110 -0.404 3.827 1.00 0.00 C ATOM 949 C TYR B 118 9.464 -1.558 3.046 1.00 0.00 C ATOM 950 O TYR B 118 8.453 -2.108 3.483 1.00 0.00 O ATOM 951 CB TYR B 118 9.871 0.961 3.164 1.00 0.00 C ATOM 952 CG TYR B 118 8.537 1.586 3.537 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.341 2.040 4.854 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.508 1.734 2.586 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.113 2.609 5.238 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.276 2.312 2.961 1.00 0.00 C ATOM 957 CZ TYR B 118 6.075 2.741 4.291 1.00 0.00 C ATOM 958 OH TYR B 118 4.897 3.289 4.672 1.00 0.00 O ATOM 0 H TYR B 118 12.125 0.033 3.513 1.00 0.00 H new ATOM 0 HA TYR B 118 9.623 -0.385 4.802 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.675 1.641 3.448 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.920 0.845 2.081 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.139 1.951 5.576 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.662 1.405 1.569 1.00 0.00 H new ATOM 0 HE1 TYR B 118 6.965 2.944 6.254 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.488 2.426 2.231 1.00 0.00 H new ATOM 0 HH TYR B 118 5.065 4.133 5.140 1.00 0.00 H new ATOM 968 N LEU B 119 10.076 -2.018 1.951 1.00 0.00 N ATOM 969 CA LEU B 119 9.646 -3.230 1.236 1.00 0.00 C ATOM 970 C LEU B 119 9.712 -4.475 2.135 1.00 0.00 C ATOM 971 O LEU B 119 8.763 -5.267 2.151 1.00 0.00 O ATOM 972 CB LEU B 119 10.495 -3.399 -0.037 1.00 0.00 C ATOM 973 CG LEU B 119 9.836 -2.839 -1.309 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.433 -1.365 -1.215 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.783 -2.995 -2.497 1.00 0.00 C ATOM 0 H LEU B 119 10.886 -1.561 1.532 1.00 0.00 H new ATOM 0 HA LEU B 119 8.601 -3.117 0.948 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.455 -2.904 0.111 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.703 -4.459 -0.184 1.00 0.00 H new ATOM 0 HG LEU B 119 8.921 -3.417 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.976 -1.052 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.718 -1.234 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.317 -0.758 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.310 -2.596 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.706 -2.449 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.010 -4.051 -2.645 1.00 0.00 H new ATOM 987 N SER B 120 10.766 -4.625 2.942 1.00 0.00 N ATOM 988 CA SER B 120 10.912 -5.760 3.866 1.00 0.00 C ATOM 989 C SER B 120 9.789 -5.827 4.914 1.00 0.00 C ATOM 990 O SER B 120 9.287 -6.921 5.189 1.00 0.00 O ATOM 991 CB SER B 120 12.268 -5.739 4.583 1.00 0.00 C ATOM 992 OG SER B 120 13.338 -5.873 3.665 1.00 0.00 O ATOM 0 H SER B 120 11.543 -3.965 2.975 1.00 0.00 H new ATOM 0 HA SER B 120 10.847 -6.650 3.241 1.00 0.00 H new ATOM 0 HB2 SER B 120 12.375 -4.806 5.136 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.309 -6.548 5.313 1.00 0.00 H new ATOM 0 HG SER B 120 13.466 -5.028 3.186 1.00 0.00 H new ATOM 998 N ARG B 121 9.354 -4.688 5.477 1.00 0.00 N ATOM 999 CA ARG B 121 8.244 -4.644 6.451 1.00 0.00 C ATOM 1000 C ARG B 121 6.856 -4.736 5.805 1.00 0.00 C ATOM 1001 O ARG B 121 6.004 -5.459 6.316 1.00 0.00 O ATOM 1002 CB ARG B 121 8.404 -3.442 7.411 1.00 0.00 C ATOM 1003 CG ARG B 121 7.923 -2.085 6.874 1.00 0.00 C ATOM 1004 CD ARG B 121 8.268 -0.925 7.814 1.00 0.00 C ATOM 1005 NE ARG B 121 7.568 -1.025 9.107 1.00 0.00 N ATOM 1006 CZ ARG B 121 7.838 -0.348 10.210 1.00 0.00 C ATOM 1007 NH1 ARG B 121 8.783 0.549 10.257 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 7.138 -0.550 11.292 1.00 0.00 N ATOM 0 H ARG B 121 9.758 -3.774 5.273 1.00 0.00 H new ATOM 0 HA ARG B 121 8.310 -5.548 7.056 1.00 0.00 H new ATOM 0 HB2 ARG B 121 7.860 -3.661 8.330 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.457 -3.353 7.678 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.374 -1.904 5.898 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.844 -2.119 6.725 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.344 -0.908 7.986 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.007 0.018 7.334 1.00 0.00 H new ATOM 0 HE ARG B 121 6.793 -1.687 9.156 1.00 0.00 H new ATOM 0 HH11 ARG B 121 9.340 0.747 9.426 1.00 0.00 H new ATOM 0 HH12 ARG B 121 8.965 1.053 11.125 1.00 0.00 H new ATOM 0 HH21 ARG B 121 6.380 -1.232 11.289 1.00 0.00 H new ATOM 0 HH22 ARG B 121 7.349 -0.026 12.141 1.00 0.00 H new ATOM 1022 N LEU B 122 6.631 -4.090 4.654 1.00 0.00 N ATOM 1023 CA LEU B 122 5.367 -4.148 3.891 1.00 0.00 C ATOM 1024 C LEU B 122 5.016 -5.584 3.466 1.00 0.00 C ATOM 1025 O LEU B 122 3.853 -5.984 3.557 1.00 0.00 O ATOM 1026 CB LEU B 122 5.465 -3.240 2.651 1.00 0.00 C ATOM 1027 CG LEU B 122 4.939 -1.796 2.808 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.346 -1.061 4.092 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.443 -0.989 1.614 1.00 0.00 C ATOM 0 H LEU B 122 7.335 -3.498 4.213 1.00 0.00 H new ATOM 0 HA LEU B 122 4.569 -3.796 4.544 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.510 -3.191 2.347 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.918 -3.715 1.837 1.00 0.00 H new ATOM 0 HG LEU B 122 3.854 -1.880 2.862 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.918 -0.059 4.089 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.977 -1.610 4.958 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.433 -0.991 4.142 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.089 0.039 1.694 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.533 -0.997 1.603 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.068 -1.432 0.691 1.00 0.00 H new ATOM 1041 N SER B 123 6.009 -6.375 3.057 1.00 0.00 N ATOM 1042 CA SER B 123 5.849 -7.783 2.657 1.00 0.00 C ATOM 1043 C SER B 123 5.222 -8.683 3.740 1.00 0.00 C ATOM 1044 O SER B 123 4.619 -9.710 3.409 1.00 0.00 O ATOM 1045 CB SER B 123 7.221 -8.336 2.239 1.00 0.00 C ATOM 1046 OG SER B 123 7.084 -9.631 1.675 1.00 0.00 O ATOM 0 H SER B 123 6.974 -6.050 2.991 1.00 0.00 H new ATOM 0 HA SER B 123 5.145 -7.798 1.825 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.685 -7.665 1.516 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.882 -8.378 3.105 1.00 0.00 H new ATOM 0 HG SER B 123 7.966 -9.969 1.413 1.00 0.00 H new ATOM 1052 N ARG B 124 5.341 -8.324 5.025 1.00 0.00 N ATOM 1053 CA ARG B 124 4.857 -9.131 6.162 1.00 0.00 C ATOM 1054 C ARG B 124 3.340 -9.030 6.403 1.00 0.00 C ATOM 1055 O ARG B 124 2.766 -9.915 7.044 1.00 0.00 O ATOM 1056 CB ARG B 124 5.614 -8.728 7.447 1.00 0.00 C ATOM 1057 CG ARG B 124 7.154 -8.698 7.348 1.00 0.00 C ATOM 1058 CD ARG B 124 7.799 -9.952 6.747 1.00 0.00 C ATOM 1059 NE ARG B 124 7.515 -11.166 7.534 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.850 -12.405 7.218 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.506 -12.685 6.123 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.538 -13.400 8.000 1.00 0.00 N ATOM 0 H ARG B 124 5.783 -7.451 5.313 1.00 0.00 H new ATOM 0 HA ARG B 124 5.056 -10.171 5.903 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.271 -7.739 7.751 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.335 -9.421 8.241 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.446 -7.837 6.747 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.562 -8.543 8.347 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.437 -10.090 5.728 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.878 -9.807 6.685 1.00 0.00 H new ATOM 0 HE ARG B 124 7.009 -11.037 8.410 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.774 -11.937 5.484 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.750 -13.652 5.908 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.030 -13.227 8.867 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.802 -14.352 7.745 1.00 0.00 H new ATOM 1076 N LEU B 125 2.691 -7.960 5.932 1.00 0.00 N ATOM 1077 CA LEU B 125 1.267 -7.684 6.167 1.00 0.00 C ATOM 1078 C LEU B 125 0.336 -8.614 5.361 1.00 0.00 C ATOM 1079 O LEU B 125 0.608 -8.964 4.210 1.00 0.00 O ATOM 1080 CB LEU B 125 0.954 -6.200 5.889 1.00 0.00 C ATOM 1081 CG LEU B 125 1.378 -5.159 6.948 1.00 0.00 C ATOM 1082 CD1 LEU B 125 0.918 -5.504 8.367 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.884 -4.929 7.003 1.00 0.00 C ATOM 0 H LEU B 125 3.149 -7.246 5.365 1.00 0.00 H new ATOM 0 HA LEU B 125 1.069 -7.894 7.218 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.429 -5.930 4.946 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.122 -6.108 5.742 1.00 0.00 H new ATOM 0 HG LEU B 125 0.877 -4.251 6.612 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.252 -4.728 9.056 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -0.170 -5.567 8.391 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.344 -6.462 8.665 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.111 -4.186 7.768 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.386 -5.865 7.246 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.233 -4.571 6.035 1.00 0.00 H new ATOM 1095 N SER B 126 -0.795 -8.978 5.975 1.00 0.00 N ATOM 1096 CA SER B 126 -1.898 -9.721 5.347 1.00 0.00 C ATOM 1097 C SER B 126 -2.673 -8.857 4.333 1.00 0.00 C ATOM 1098 O SER B 126 -2.528 -7.632 4.312 1.00 0.00 O ATOM 1099 CB SER B 126 -2.826 -10.262 6.443 1.00 0.00 C ATOM 1100 OG SER B 126 -3.813 -11.126 5.906 1.00 0.00 O ATOM 0 H SER B 126 -0.976 -8.757 6.954 1.00 0.00 H new ATOM 0 HA SER B 126 -1.480 -10.554 4.782 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.238 -10.798 7.188 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.309 -9.430 6.956 1.00 0.00 H new ATOM 0 HG SER B 126 -4.387 -11.456 6.628 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.516 -9.476 3.485 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.214 -8.839 2.352 1.00 0.00 C ATOM 1108 C LYS B 127 -5.087 -7.639 2.761 1.00 0.00 C ATOM 1109 O LYS B 127 -5.115 -6.639 2.047 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.027 -9.905 1.581 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.497 -9.462 0.182 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.357 -9.406 -0.853 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.754 -8.707 -2.157 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.820 -9.421 -2.903 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.738 -10.468 3.573 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.453 -8.419 1.695 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.419 -10.804 1.478 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.900 -10.177 2.174 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.265 -10.150 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.960 -8.478 0.256 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.504 -8.886 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.030 -10.421 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.093 -7.696 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.874 -8.614 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.450 -9.733 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.131 -10.249 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.627 -8.782 -3.052 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.760 -7.702 3.914 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.530 -6.577 4.466 1.00 0.00 C ATOM 1130 C ASN B 128 -5.623 -5.458 5.018 1.00 0.00 C ATOM 1131 O ASN B 128 -5.917 -4.270 4.872 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.443 -7.136 5.574 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.399 -6.076 6.110 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -9.382 -5.718 5.475 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.154 -5.545 7.289 1.00 0.00 N ATOM 0 H ASN B 128 -5.788 -8.539 4.496 1.00 0.00 H new ATOM 0 HA ASN B 128 -7.119 -6.121 3.670 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.015 -7.977 5.183 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.831 -7.519 6.390 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.782 -4.838 7.670 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.336 -5.841 7.821 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.512 -5.830 5.657 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.617 -4.917 6.381 1.00 0.00 C ATOM 1144 C GLN B 129 -2.711 -4.091 5.450 1.00 0.00 C ATOM 1145 O GLN B 129 -2.499 -2.902 5.685 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.773 -5.719 7.382 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.587 -6.582 8.361 1.00 0.00 C ATOM 1148 CD GLN B 129 -4.596 -5.770 9.166 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -5.797 -5.844 8.953 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -4.152 -4.946 10.094 1.00 0.00 N ATOM 0 H GLN B 129 -4.199 -6.800 5.688 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.244 -4.198 6.909 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.093 -6.366 6.827 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -2.157 -5.026 7.955 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -4.113 -7.357 7.804 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -2.906 -7.088 9.045 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.151 -4.878 10.279 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -4.809 -4.377 10.627 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.224 -4.685 4.353 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.464 -3.968 3.314 1.00 0.00 C ATOM 1161 C LEU B 130 -2.302 -2.881 2.614 1.00 0.00 C ATOM 1162 O LEU B 130 -1.753 -1.855 2.207 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.818 -4.969 2.335 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.762 -5.850 1.491 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.257 -5.183 0.200 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.021 -7.132 1.100 1.00 0.00 C ATOM 0 H LEU B 130 -2.345 -5.679 4.158 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.654 -3.424 3.800 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.181 -4.408 1.651 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.166 -5.628 2.909 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.637 -6.041 2.112 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.915 -5.868 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.804 -4.273 0.447 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.404 -4.933 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.678 -7.764 0.503 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.135 -6.877 0.518 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.722 -7.668 2.000 1.00 0.00 H new ATOM 1178 N MET B 131 -3.629 -3.053 2.527 1.00 0.00 N ATOM 1179 CA MET B 131 -4.526 -2.005 2.019 1.00 0.00 C ATOM 1180 C MET B 131 -4.604 -0.832 2.993 1.00 0.00 C ATOM 1181 O MET B 131 -4.507 0.319 2.573 1.00 0.00 O ATOM 1182 CB MET B 131 -5.951 -2.509 1.792 1.00 0.00 C ATOM 1183 CG MET B 131 -6.085 -3.636 0.770 1.00 0.00 C ATOM 1184 SD MET B 131 -7.770 -4.311 0.755 1.00 0.00 S ATOM 1185 CE MET B 131 -7.483 -5.741 -0.319 1.00 0.00 C ATOM 0 H MET B 131 -4.106 -3.911 2.803 1.00 0.00 H new ATOM 0 HA MET B 131 -4.100 -1.692 1.066 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.354 -2.854 2.744 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.569 -1.671 1.469 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.831 -3.263 -0.222 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.375 -4.429 1.004 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.437 -6.111 -0.694 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.853 -5.445 -1.158 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.986 -6.528 0.248 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.745 -1.109 4.294 1.00 0.00 N ATOM 1196 CA ALA B 132 -4.842 -0.082 5.330 1.00 0.00 C ATOM 1197 C ALA B 132 -3.578 0.794 5.404 1.00 0.00 C ATOM 1198 O ALA B 132 -3.690 2.003 5.595 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.143 -0.760 6.674 1.00 0.00 C ATOM 0 H ALA B 132 -4.795 -2.061 4.657 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.657 0.596 5.077 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.218 -0.003 7.455 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.085 -1.304 6.604 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.340 -1.456 6.919 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.388 0.211 5.201 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.120 0.944 5.091 1.00 0.00 C ATOM 1207 C LEU B 133 -1.132 1.912 3.891 1.00 0.00 C ATOM 1208 O LEU B 133 -0.918 3.114 4.062 1.00 0.00 O ATOM 1209 CB LEU B 133 0.027 -0.090 5.043 1.00 0.00 C ATOM 1210 CG LEU B 133 1.481 0.438 4.992 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.898 1.010 3.635 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.771 1.471 6.084 1.00 0.00 C ATOM 0 H LEU B 133 -2.278 -0.799 5.107 1.00 0.00 H new ATOM 0 HA LEU B 133 -0.968 1.584 5.960 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.065 -0.731 5.920 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.130 -0.722 4.169 1.00 0.00 H new ATOM 0 HG LEU B 133 2.083 -0.453 5.169 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.930 1.357 3.688 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.814 0.236 2.872 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.247 1.845 3.377 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.805 1.807 6.001 1.00 0.00 H new ATOM 0 HD22 LEU B 133 1.102 2.323 5.966 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.614 1.019 7.063 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.430 1.419 2.687 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.474 2.252 1.482 1.00 0.00 C ATOM 1226 C ALA B 134 -2.586 3.326 1.541 1.00 0.00 C ATOM 1227 O ALA B 134 -2.368 4.460 1.112 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.621 1.327 0.269 1.00 0.00 C ATOM 0 H ALA B 134 -1.647 0.436 2.519 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.546 2.817 1.401 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.656 1.924 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.770 0.647 0.225 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.542 0.750 0.361 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.745 3.013 2.129 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.850 3.950 2.369 1.00 0.00 C ATOM 1236 C LEU B 135 -4.439 5.064 3.351 1.00 0.00 C ATOM 1237 O LEU B 135 -4.670 6.246 3.079 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.070 3.134 2.857 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.435 3.845 2.974 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.511 4.939 4.034 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.874 4.425 1.637 1.00 0.00 C ATOM 0 H LEU B 135 -3.948 2.070 2.462 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.119 4.467 1.448 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.194 2.288 2.181 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.824 2.725 3.837 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.112 3.054 3.296 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.510 5.375 4.036 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.300 4.511 5.014 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.777 5.713 3.811 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.839 4.919 1.754 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.135 5.149 1.294 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.963 3.623 0.904 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.770 4.719 4.461 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.220 5.671 5.442 1.00 0.00 C ATOM 1255 C LYS B 136 -2.247 6.656 4.786 1.00 0.00 C ATOM 1256 O LYS B 136 -2.385 7.867 4.979 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.583 4.873 6.590 1.00 0.00 C ATOM 1258 CG LYS B 136 -1.957 5.749 7.684 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.513 4.881 8.868 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.779 5.724 9.920 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.439 4.915 11.120 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.591 3.746 4.709 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.019 6.289 5.852 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.343 4.234 7.040 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.815 4.216 6.181 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.102 6.292 7.281 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -2.678 6.494 8.020 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -2.382 4.404 9.320 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -0.859 4.083 8.515 1.00 0.00 H new ATOM 0 HE2 LYS B 136 0.132 6.137 9.487 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -1.403 6.568 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.056 5.512 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -1.311 4.542 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 0.177 4.124 10.842 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.338 6.173 3.934 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.449 7.020 3.124 1.00 0.00 C ATOM 1277 C LEU B 137 -1.224 7.905 2.126 1.00 0.00 C ATOM 1278 O LEU B 137 -0.883 9.081 1.971 1.00 0.00 O ATOM 1279 CB LEU B 137 0.550 6.125 2.360 1.00 0.00 C ATOM 1280 CG LEU B 137 1.897 5.860 3.049 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.805 5.363 4.490 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.643 4.817 2.219 1.00 0.00 C ATOM 0 H LEU B 137 -1.195 5.174 3.784 1.00 0.00 H new ATOM 0 HA LEU B 137 0.079 7.689 3.804 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.070 5.165 2.168 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.747 6.583 1.391 1.00 0.00 H new ATOM 0 HG LEU B 137 2.412 6.819 3.104 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.809 5.206 4.886 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.287 6.104 5.098 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.254 4.423 4.516 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.607 4.605 2.682 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.054 3.901 2.171 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.801 5.200 1.211 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.257 7.363 1.467 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.087 8.072 0.478 1.00 0.00 C ATOM 1296 C LYS B 138 -3.854 9.240 1.096 1.00 0.00 C ATOM 1297 O LYS B 138 -3.787 10.348 0.570 1.00 0.00 O ATOM 1298 CB LYS B 138 -4.018 7.067 -0.230 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.908 7.660 -1.336 1.00 0.00 C ATOM 1300 CD LYS B 138 -4.116 8.303 -2.485 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.978 8.473 -3.746 1.00 0.00 C ATOM 1302 NZ LYS B 138 -6.203 9.286 -3.509 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.548 6.396 1.609 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.430 8.518 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.407 6.275 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.659 6.602 0.519 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.544 6.872 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.568 8.409 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -3.740 9.276 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -3.248 7.686 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.381 8.945 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -5.267 7.490 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -6.625 9.552 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -6.888 8.729 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -5.952 10.146 -2.980 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.530 9.039 2.229 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.229 10.133 2.924 1.00 0.00 C ATOM 1318 C GLN B 139 -4.255 11.184 3.493 1.00 0.00 C ATOM 1319 O GLN B 139 -4.577 12.370 3.488 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.209 9.585 3.977 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.564 8.936 5.210 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.590 8.635 6.305 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.414 7.617 6.143 1.00 0.00 O flip ATOM 1324 NE2 GLN B 139 -6.679 9.319 7.316 1.00 0.00 N flip ATOM 0 H GLN B 139 -4.611 8.132 2.688 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.827 10.664 2.184 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.849 10.402 4.311 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.855 8.850 3.498 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.068 8.012 4.915 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.794 9.598 5.607 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.049 10.109 7.454 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.383 9.099 8.020 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.042 10.789 3.896 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.000 11.721 4.356 1.00 0.00 C ATOM 1335 C GLN B 140 -1.529 12.676 3.245 1.00 0.00 C ATOM 1336 O GLN B 140 -1.494 13.886 3.467 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.823 10.934 4.940 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.116 10.445 6.365 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.172 9.343 6.857 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.723 8.866 6.173 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.309 8.914 8.089 1.00 0.00 N ATOM 0 H GLN B 140 -2.752 9.811 3.913 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.436 12.348 5.134 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.604 10.079 4.300 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.067 11.563 4.947 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.054 11.292 7.048 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.141 10.076 6.407 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.047 9.294 8.682 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.322 8.200 8.454 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.223 12.181 2.040 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.869 13.058 0.907 1.00 0.00 C ATOM 1352 C GLN B 141 -2.039 13.928 0.394 1.00 0.00 C ATOM 1353 O GLN B 141 -1.803 14.994 -0.174 1.00 0.00 O ATOM 1354 CB GLN B 141 -0.181 12.263 -0.219 1.00 0.00 C ATOM 1355 CG GLN B 141 -1.067 11.234 -0.949 1.00 0.00 C ATOM 1356 CD GLN B 141 -0.418 10.704 -2.227 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -1.008 10.697 -3.299 1.00 0.00 O ATOM 1358 NE2 GLN B 141 0.827 10.269 -2.193 1.00 0.00 N ATOM 0 H GLN B 141 -1.212 11.185 1.820 1.00 0.00 H new ATOM 0 HA GLN B 141 -0.147 13.777 1.294 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.204 12.969 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN B 141 0.678 11.741 0.202 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -1.277 10.400 -0.279 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -2.024 11.694 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.342 10.264 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.275 9.938 -3.047 1.00 0.00 H new ATOM 1367 N LEU B 142 -3.295 13.532 0.651 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.480 14.377 0.422 1.00 0.00 C ATOM 1369 C LEU B 142 -4.617 15.486 1.486 1.00 0.00 C ATOM 1370 O LEU B 142 -4.909 16.634 1.141 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.738 13.485 0.377 1.00 0.00 C ATOM 1372 CG LEU B 142 -6.199 13.136 -1.052 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -5.123 12.481 -1.922 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -7.393 12.181 -0.978 1.00 0.00 C ATOM 0 H LEU B 142 -3.520 12.611 1.026 1.00 0.00 H new ATOM 0 HA LEU B 142 -4.363 14.885 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.538 12.562 0.920 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.551 13.991 0.898 1.00 0.00 H new ATOM 0 HG LEU B 142 -6.454 14.086 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -5.533 12.269 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -4.273 13.156 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.796 11.550 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -7.722 11.931 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -7.099 11.270 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -8.209 12.660 -0.438 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.354 15.185 2.764 1.00 0.00 N ATOM 1387 CA GLU B 143 -4.371 16.162 3.874 1.00 0.00 C ATOM 1388 C GLU B 143 -3.234 17.203 3.796 1.00 0.00 C ATOM 1389 O GLU B 143 -3.343 18.288 4.378 1.00 0.00 O ATOM 1390 CB GLU B 143 -4.325 15.426 5.225 1.00 0.00 C ATOM 1391 CG GLU B 143 -5.624 14.688 5.592 1.00 0.00 C ATOM 1392 CD GLU B 143 -6.714 15.595 6.207 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -7.546 15.078 6.994 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -6.772 16.818 5.919 1.00 0.00 O1- ATOM 0 H GLU B 143 -4.118 14.240 3.067 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.304 16.719 3.782 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -3.506 14.707 5.205 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -4.097 16.147 6.010 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.025 14.213 4.696 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -5.389 13.891 6.298 1.00 0.00 H new ATOM 1401 N GLN B 144 -2.163 16.921 3.042 1.00 0.00 N ATOM 1402 CA GLN B 144 -1.104 17.887 2.703 1.00 0.00 C ATOM 1403 C GLN B 144 -1.547 18.957 1.670 1.00 0.00 C ATOM 1404 O GLN B 144 -0.828 19.944 1.473 1.00 0.00 O ATOM 1405 CB GLN B 144 0.134 17.125 2.195 1.00 0.00 C ATOM 1406 CG GLN B 144 0.860 16.372 3.324 1.00 0.00 C ATOM 1407 CD GLN B 144 1.962 15.434 2.829 1.00 0.00 C ATOM 1408 OE1 GLN B 144 2.173 15.219 1.644 1.00 0.00 O ATOM 1409 NE2 GLN B 144 2.720 14.844 3.729 1.00 0.00 N ATOM 0 H GLN B 144 -2.003 15.997 2.641 1.00 0.00 H new ATOM 0 HA GLN B 144 -0.865 18.436 3.614 1.00 0.00 H new ATOM 0 HB2 GLN B 144 -0.169 16.416 1.425 1.00 0.00 H new ATOM 0 HB3 GLN B 144 0.824 17.828 1.728 1.00 0.00 H new ATOM 0 HG2 GLN B 144 1.295 17.098 4.012 1.00 0.00 H new ATOM 0 HG3 GLN B 144 0.130 15.794 3.891 1.00 0.00 H new ATOM 0 HE21 GLN B 144 2.558 15.012 4.722 1.00 0.00 H new ATOM 0 HE22 GLN B 144 3.470 14.219 3.434 1.00 0.00 H new ATOM 1418 N GLY B 145 -2.711 18.784 1.016 1.00 0.00 N ATOM 1419 CA GLY B 145 -3.285 19.725 0.033 1.00 0.00 C ATOM 1420 C GLY B 145 -3.749 21.057 0.633 1.00 0.00 C ATOM 1421 O GLY B 145 -4.574 21.031 1.575 1.00 0.00 O ATOM 1422 OXT GLY B 145 -3.311 22.118 0.135 1.00 0.00 O1- ATOM 0 H GLY B 145 -3.296 17.961 1.161 1.00 0.00 H new ATOM 0 HA2 GLY B 145 -2.541 19.926 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -4.132 19.247 -0.459 1.00 0.00 H new TER 1426 GLY B 145