USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1136 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 68 ASN : amide:sc= -0.198 X(o=0.026,f=0.12) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.224 K(o=0.026,f=-1.9) USER MOD Set 2.1: A 8 MET CE :methyl -110:sc= -1.62 (180deg=-0.831) USER MOD Set 2.2: A 13 GLN : amide:sc= -1.18 K(o=-2.8,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.117 F(o=-0.66,f=-0.12) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 130:sc= -2.52! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0874 X(o=-0.087,f=-0.028) USER MOD Single : A 28 HIS : no HD1:sc= -11.3! C(o=-11!,f=-12!) USER MOD Single : A 31 THR OG1 : rot -73:sc= 1.22 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.4) USER MOD Single : A 42 GLN : amide:sc= -0.0863 K(o=-0.086,f=-0.92) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 120:sc= -1.64 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 55 ASN : amide:sc= 1 K(o=1,f=-5.8!) USER MOD Single : A 56 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.4!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 167:sc= -0.464 USER MOD Single : A 63 ASN : amide:sc= -0.38 K(o=-0.38,f=-9.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.000519 X(o=-0.00052,f=0) USER MOD Single : A 73 MET CE :methyl 146:sc= -0.753 (180deg=-2.54!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 78 CYS SG : rot -146:sc= -1.99 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 87 THR OG1 : rot 62:sc= 1.3 USER MOD Single : A 89 CYS SG : rot 111:sc= 0.0952 USER MOD Single : A 90 CYS SG : rot -27:sc= -0.216 USER MOD Single : A 92 THR OG1 : rot 171:sc= 0.247 USER MOD Single : A 95 MET CE :methyl -161:sc= -0.027 (180deg=-0.0874) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 90:sc=-0.00586 USER MOD Single : A 120 SER OG : rot 66:sc= 0.0327 USER MOD Single : A 123 SER OG : rot -82:sc= 0.87 USER MOD Single : A 125 THR OG1 : rot -83:sc= 1.02 USER MOD Single : A 131 THR OG1 : rot -65:sc= -0.25 USER MOD Single : A 138 SER OG : rot -100:sc= -0.84 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 31:sc= 0.0073 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.263 6.392 15.695 1.00 0.00 N ATOM 2 CA GLY A 1 26.721 7.423 16.608 1.00 0.00 C ATOM 3 C GLY A 1 25.881 8.683 16.528 1.00 0.00 C ATOM 4 O GLY A 1 26.381 9.749 16.170 1.00 0.00 O ATOM 0 H1 GLY A 1 26.869 5.552 15.788 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.281 6.137 15.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.310 6.747 14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.697 7.038 17.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.759 7.667 16.384 1.00 0.00 H new ATOM 8 N SER A 2 24.601 8.560 16.862 1.00 0.00 N ATOM 9 CA SER A 2 23.688 9.697 16.822 1.00 0.00 C ATOM 10 C SER A 2 22.448 9.428 17.669 1.00 0.00 C ATOM 11 O SER A 2 21.971 8.296 17.750 1.00 0.00 O ATOM 12 CB SER A 2 23.278 9.998 15.379 1.00 0.00 C ATOM 13 OG SER A 2 22.370 11.084 15.323 1.00 0.00 O ATOM 0 H SER A 2 24.172 7.685 17.163 1.00 0.00 H new ATOM 0 HA SER A 2 24.207 10.563 17.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.163 10.229 14.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.820 9.114 14.936 1.00 0.00 H new ATOM 0 HG SER A 2 22.125 11.258 14.390 1.00 0.00 H new ATOM 19 N SER A 3 21.931 10.478 18.299 1.00 0.00 N ATOM 20 CA SER A 3 20.748 10.356 19.144 1.00 0.00 C ATOM 21 C SER A 3 19.633 9.615 18.414 1.00 0.00 C ATOM 22 O SER A 3 19.209 10.018 17.331 1.00 0.00 O ATOM 23 CB SER A 3 20.259 11.740 19.576 1.00 0.00 C ATOM 24 OG SER A 3 21.311 12.497 20.150 1.00 0.00 O ATOM 0 H SER A 3 22.312 11.422 18.241 1.00 0.00 H new ATOM 0 HA SER A 3 21.022 9.783 20.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.853 12.271 18.715 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.448 11.634 20.297 1.00 0.00 H new ATOM 0 HG SER A 3 20.973 13.378 20.416 1.00 0.00 H new ATOM 30 N GLY A 4 19.161 8.527 19.015 1.00 0.00 N ATOM 31 CA GLY A 4 18.099 7.745 18.409 1.00 0.00 C ATOM 32 C GLY A 4 18.629 6.668 17.483 1.00 0.00 C ATOM 33 O GLY A 4 19.649 6.856 16.820 1.00 0.00 O ATOM 0 H GLY A 4 19.495 8.173 19.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.499 7.283 19.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.438 8.407 17.850 1.00 0.00 H new ATOM 37 N SER A 5 17.935 5.536 17.437 1.00 0.00 N ATOM 38 CA SER A 5 18.344 4.422 16.590 1.00 0.00 C ATOM 39 C SER A 5 18.277 4.808 15.115 1.00 0.00 C ATOM 40 O SER A 5 17.231 4.687 14.478 1.00 0.00 O ATOM 41 CB SER A 5 17.458 3.202 16.850 1.00 0.00 C ATOM 42 OG SER A 5 17.731 2.166 15.923 1.00 0.00 O ATOM 0 H SER A 5 17.086 5.366 17.977 1.00 0.00 H new ATOM 0 HA SER A 5 19.376 4.171 16.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.622 2.839 17.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.409 3.489 16.780 1.00 0.00 H new ATOM 0 HG SER A 5 17.153 1.397 16.112 1.00 0.00 H new ATOM 48 N SER A 6 19.401 5.273 14.580 1.00 0.00 N ATOM 49 CA SER A 6 19.470 5.681 13.182 1.00 0.00 C ATOM 50 C SER A 6 19.530 4.465 12.263 1.00 0.00 C ATOM 51 O SER A 6 20.147 3.453 12.593 1.00 0.00 O ATOM 52 CB SER A 6 20.693 6.571 12.948 1.00 0.00 C ATOM 53 OG SER A 6 20.429 7.910 13.330 1.00 0.00 O ATOM 0 H SER A 6 20.276 5.377 15.093 1.00 0.00 H new ATOM 0 HA SER A 6 18.567 6.246 12.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.540 6.187 13.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.975 6.538 11.896 1.00 0.00 H new ATOM 0 HG SER A 6 21.226 8.458 13.173 1.00 0.00 H new ATOM 59 N GLY A 7 18.882 4.572 11.107 1.00 0.00 N ATOM 60 CA GLY A 7 18.873 3.475 10.157 1.00 0.00 C ATOM 61 C GLY A 7 17.980 3.748 8.963 1.00 0.00 C ATOM 62 O GLY A 7 17.506 4.869 8.778 1.00 0.00 O ATOM 0 H GLY A 7 18.363 5.399 10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.890 3.290 9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.537 2.567 10.658 1.00 0.00 H new ATOM 66 N MET A 8 17.751 2.722 8.150 1.00 0.00 N ATOM 67 CA MET A 8 16.909 2.858 6.968 1.00 0.00 C ATOM 68 C MET A 8 15.505 2.326 7.236 1.00 0.00 C ATOM 69 O MET A 8 15.246 1.132 7.088 1.00 0.00 O ATOM 70 CB MET A 8 17.531 2.115 5.784 1.00 0.00 C ATOM 71 CG MET A 8 16.769 2.300 4.482 1.00 0.00 C ATOM 72 SD MET A 8 15.464 1.076 4.261 1.00 0.00 S ATOM 73 CE MET A 8 16.430 -0.420 4.071 1.00 0.00 C ATOM 0 H MET A 8 18.137 1.788 8.288 1.00 0.00 H new ATOM 0 HA MET A 8 16.836 3.918 6.725 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.556 2.459 5.648 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.581 1.052 6.018 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.333 3.299 4.460 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.466 2.238 3.646 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.360 -0.770 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.472 -0.214 4.315 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.046 -1.189 4.742 1.00 0.00 H new ATOM 83 N GLU A 9 14.603 3.219 7.631 1.00 0.00 N ATOM 84 CA GLU A 9 13.226 2.837 7.920 1.00 0.00 C ATOM 85 C GLU A 9 12.679 1.912 6.837 1.00 0.00 C ATOM 86 O GLU A 9 13.102 1.949 5.681 1.00 0.00 O ATOM 87 CB GLU A 9 12.342 4.080 8.039 1.00 0.00 C ATOM 88 CG GLU A 9 12.836 5.082 9.070 1.00 0.00 C ATOM 89 CD GLU A 9 13.846 6.058 8.499 1.00 0.00 C ATOM 90 OE1 GLU A 9 13.593 6.598 7.402 1.00 0.00 O ATOM 91 OE2 GLU A 9 14.889 6.280 9.148 1.00 0.00 O ATOM 0 H GLU A 9 14.801 4.211 7.758 1.00 0.00 H new ATOM 0 HA GLU A 9 13.217 2.302 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.285 4.570 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.330 3.772 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.986 5.636 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.287 4.546 9.905 1.00 0.00 H new ATOM 98 N PRO A 10 11.715 1.061 7.218 1.00 0.00 N ATOM 99 CA PRO A 10 11.088 0.110 6.295 1.00 0.00 C ATOM 100 C PRO A 10 10.205 0.801 5.261 1.00 0.00 C ATOM 101 O PRO A 10 9.653 0.154 4.371 1.00 0.00 O ATOM 102 CB PRO A 10 10.243 -0.774 7.215 1.00 0.00 C ATOM 103 CG PRO A 10 9.956 0.081 8.401 1.00 0.00 C ATOM 104 CD PRO A 10 11.162 0.961 8.579 1.00 0.00 C ATOM 0 HA PRO A 10 11.827 -0.441 5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.323 -1.092 6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.781 -1.678 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.057 0.678 8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.783 -0.528 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.891 1.939 8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.880 0.524 9.273 1.00 0.00 H new ATOM 112 N TRP A 11 10.078 2.117 5.385 1.00 0.00 N ATOM 113 CA TRP A 11 9.262 2.896 4.460 1.00 0.00 C ATOM 114 C TRP A 11 10.128 3.554 3.392 1.00 0.00 C ATOM 115 O TRP A 11 9.673 3.800 2.274 1.00 0.00 O ATOM 116 CB TRP A 11 8.469 3.961 5.220 1.00 0.00 C ATOM 117 CG TRP A 11 9.228 5.239 5.415 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.940 5.608 6.520 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.348 6.316 4.479 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.495 6.850 6.328 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.148 7.305 5.083 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.860 6.539 3.189 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.468 8.498 4.441 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.178 7.724 2.553 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.976 8.691 3.179 1.00 0.00 C ATOM 0 H TRP A 11 10.529 2.667 6.116 1.00 0.00 H new ATOM 0 HA TRP A 11 8.565 2.217 3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.547 4.173 4.678 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.182 3.565 6.194 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.051 5.011 7.413 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.072 7.352 7.003 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.246 5.799 2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.083 9.245 4.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.805 7.908 1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.207 9.607 2.655 1.00 0.00 H new ATOM 136 N LYS A 12 11.378 3.837 3.741 1.00 0.00 N ATOM 137 CA LYS A 12 12.309 4.466 2.812 1.00 0.00 C ATOM 138 C LYS A 12 12.488 3.612 1.560 1.00 0.00 C ATOM 139 O LYS A 12 12.328 4.097 0.440 1.00 0.00 O ATOM 140 CB LYS A 12 13.663 4.689 3.488 1.00 0.00 C ATOM 141 CG LYS A 12 13.738 5.978 4.288 1.00 0.00 C ATOM 142 CD LYS A 12 13.464 7.192 3.418 1.00 0.00 C ATOM 143 CE LYS A 12 14.231 8.412 3.905 1.00 0.00 C ATOM 144 NZ LYS A 12 14.307 9.472 2.862 1.00 0.00 N ATOM 0 H LYS A 12 11.770 3.640 4.662 1.00 0.00 H new ATOM 0 HA LYS A 12 11.894 5.430 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.873 3.848 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.443 4.698 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.016 5.943 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.725 6.069 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.743 6.973 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.396 7.408 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.748 8.813 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.239 8.115 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.837 10.286 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.791 9.097 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.346 9.774 2.603 1.00 0.00 H new ATOM 158 N GLN A 13 12.819 2.341 1.759 1.00 0.00 N ATOM 159 CA GLN A 13 13.019 1.420 0.646 1.00 0.00 C ATOM 160 C GLN A 13 11.702 1.140 -0.071 1.00 0.00 C ATOM 161 O GLN A 13 11.663 1.027 -1.297 1.00 0.00 O ATOM 162 CB GLN A 13 13.632 0.110 1.143 1.00 0.00 C ATOM 163 CG GLN A 13 12.825 -0.560 2.243 1.00 0.00 C ATOM 164 CD GLN A 13 13.325 -1.954 2.567 1.00 0.00 C ATOM 165 OE1 GLN A 13 14.435 -2.126 3.074 1.00 0.00 O ATOM 166 NE2 GLN A 13 12.508 -2.959 2.276 1.00 0.00 N ATOM 0 H GLN A 13 12.954 1.925 2.680 1.00 0.00 H new ATOM 0 HA GLN A 13 13.705 1.887 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.728 -0.578 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.639 0.306 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.864 0.054 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.779 -0.615 1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.597 -2.771 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.791 -3.919 2.472 1.00 0.00 H new ATOM 175 N CYS A 14 10.627 1.026 0.701 1.00 0.00 N ATOM 176 CA CYS A 14 9.308 0.757 0.139 1.00 0.00 C ATOM 177 C CYS A 14 9.009 1.699 -1.023 1.00 0.00 C ATOM 178 O CYS A 14 8.587 1.265 -2.094 1.00 0.00 O ATOM 179 CB CYS A 14 8.233 0.900 1.217 1.00 0.00 C ATOM 180 SG CYS A 14 6.581 0.390 0.686 1.00 0.00 S ATOM 0 H CYS A 14 10.643 1.116 1.717 1.00 0.00 H new ATOM 0 HA CYS A 14 9.302 -0.266 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.523 0.307 2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.194 1.940 1.540 1.00 0.00 H new ATOM 0 HG CYS A 14 5.742 0.546 1.667 1.00 0.00 H new ATOM 186 N ALA A 15 9.228 2.991 -0.801 1.00 0.00 N ATOM 187 CA ALA A 15 8.982 3.995 -1.830 1.00 0.00 C ATOM 188 C ALA A 15 9.426 3.496 -3.201 1.00 0.00 C ATOM 189 O ALA A 15 8.676 3.576 -4.173 1.00 0.00 O ATOM 190 CB ALA A 15 9.696 5.293 -1.482 1.00 0.00 C ATOM 0 H ALA A 15 9.575 3.367 0.081 1.00 0.00 H new ATOM 0 HA ALA A 15 7.909 4.183 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.504 6.033 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.328 5.666 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.768 5.111 -1.412 1.00 0.00 H new ATOM 196 N GLN A 16 10.650 2.983 -3.271 1.00 0.00 N ATOM 197 CA GLN A 16 11.194 2.472 -4.524 1.00 0.00 C ATOM 198 C GLN A 16 10.236 1.475 -5.166 1.00 0.00 C ATOM 199 O GLN A 16 9.692 1.726 -6.242 1.00 0.00 O ATOM 200 CB GLN A 16 12.552 1.811 -4.284 1.00 0.00 C ATOM 201 CG GLN A 16 13.605 2.765 -3.743 1.00 0.00 C ATOM 202 CD GLN A 16 13.996 3.832 -4.746 1.00 0.00 C ATOM 203 OE1 GLN A 16 13.193 4.886 -4.833 1.00 0.00 O flip ATOM 204 NE2 GLN A 16 15.009 3.712 -5.436 1.00 0.00 N flip ATOM 0 H GLN A 16 11.284 2.910 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 16 11.324 3.314 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.426 0.986 -3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.909 1.382 -5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.227 3.243 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.491 2.198 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.598 2.885 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.259 4.439 -6.106 1.00 0.00 H new ATOM 213 N TRP A 17 10.035 0.343 -4.501 1.00 0.00 N ATOM 214 CA TRP A 17 9.142 -0.693 -5.008 1.00 0.00 C ATOM 215 C TRP A 17 7.871 -0.082 -5.587 1.00 0.00 C ATOM 216 O TRP A 17 7.427 -0.459 -6.672 1.00 0.00 O ATOM 217 CB TRP A 17 8.788 -1.680 -3.894 1.00 0.00 C ATOM 218 CG TRP A 17 8.070 -2.900 -4.387 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.564 -3.858 -5.226 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.729 -3.291 -4.073 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.610 -4.821 -5.452 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.476 -4.497 -4.756 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.718 -2.741 -3.280 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.254 -5.159 -4.669 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.506 -3.399 -3.195 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.283 -4.598 -3.885 1.00 0.00 C ATOM 0 H TRP A 17 10.478 0.119 -3.610 1.00 0.00 H new ATOM 0 HA TRP A 17 9.661 -1.226 -5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.702 -1.986 -3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.166 -1.175 -3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.558 -3.859 -5.649 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.728 -5.644 -6.043 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.881 -1.818 -2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.079 -6.082 -5.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.717 -2.982 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.325 -5.089 -3.796 1.00 0.00 H new ATOM 237 N LEU A 18 7.290 0.864 -4.857 1.00 0.00 N ATOM 238 CA LEU A 18 6.068 1.528 -5.298 1.00 0.00 C ATOM 239 C LEU A 18 6.270 2.193 -6.656 1.00 0.00 C ATOM 240 O LEU A 18 5.480 1.995 -7.579 1.00 0.00 O ATOM 241 CB LEU A 18 5.630 2.570 -4.267 1.00 0.00 C ATOM 242 CG LEU A 18 5.138 2.023 -2.927 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.187 3.104 -1.859 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.728 1.468 -3.063 1.00 0.00 C ATOM 0 H LEU A 18 7.645 1.188 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 18 5.288 0.773 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.469 3.239 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.834 3.173 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 18 5.799 1.211 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.833 2.696 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.213 3.454 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.550 3.938 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.394 1.083 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.055 2.261 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.723 0.662 -3.797 1.00 0.00 H new ATOM 256 N ILE A 19 7.335 2.980 -6.771 1.00 0.00 N ATOM 257 CA ILE A 19 7.642 3.671 -8.017 1.00 0.00 C ATOM 258 C ILE A 19 7.763 2.687 -9.176 1.00 0.00 C ATOM 259 O ILE A 19 7.250 2.932 -10.268 1.00 0.00 O ATOM 260 CB ILE A 19 8.949 4.478 -7.905 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.856 5.484 -6.756 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.246 5.190 -9.217 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.178 6.137 -6.416 1.00 0.00 C ATOM 0 H ILE A 19 7.999 3.155 -6.017 1.00 0.00 H new ATOM 0 HA ILE A 19 6.816 4.356 -8.210 1.00 0.00 H new ATOM 0 HB ILE A 19 9.767 3.789 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.135 6.258 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.472 4.978 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.173 5.756 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.350 4.454 -10.015 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.428 5.870 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.037 6.838 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.897 5.372 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.554 6.672 -7.288 1.00 0.00 H new ATOM 275 N HIS A 20 8.444 1.572 -8.930 1.00 0.00 N ATOM 276 CA HIS A 20 8.630 0.549 -9.952 1.00 0.00 C ATOM 277 C HIS A 20 7.328 -0.204 -10.211 1.00 0.00 C ATOM 278 O HIS A 20 7.079 -0.669 -11.324 1.00 0.00 O ATOM 279 CB HIS A 20 9.725 -0.431 -9.530 1.00 0.00 C ATOM 280 CG HIS A 20 11.109 0.046 -9.843 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.813 -0.362 -10.956 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.920 0.905 -9.181 1.00 0.00 C ATOM 283 CE1 HIS A 20 12.997 0.223 -10.965 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.087 0.997 -9.899 1.00 0.00 N ATOM 0 H HIS A 20 8.876 1.354 -8.032 1.00 0.00 H new ATOM 0 HA HIS A 20 8.932 1.044 -10.875 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.646 -0.612 -8.458 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.558 -1.386 -10.028 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.692 1.421 -8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.761 0.091 -11.716 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.893 1.570 -9.649 1.00 0.00 H new ATOM 293 N CYS A 21 6.503 -0.321 -9.176 1.00 0.00 N ATOM 294 CA CYS A 21 5.228 -1.020 -9.291 1.00 0.00 C ATOM 295 C CYS A 21 4.238 -0.211 -10.123 1.00 0.00 C ATOM 296 O CYS A 21 3.106 -0.639 -10.351 1.00 0.00 O ATOM 297 CB CYS A 21 4.645 -1.291 -7.903 1.00 0.00 C ATOM 298 SG CYS A 21 5.460 -2.635 -7.009 1.00 0.00 S ATOM 0 H CYS A 21 6.694 0.059 -8.249 1.00 0.00 H new ATOM 0 HA CYS A 21 5.406 -1.970 -9.794 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.713 -0.380 -7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.586 -1.527 -8.005 1.00 0.00 H new ATOM 0 HG CYS A 21 5.776 -2.232 -5.814 1.00 0.00 H new ATOM 304 N LYS A 22 4.670 0.962 -10.572 1.00 0.00 N ATOM 305 CA LYS A 22 3.823 1.833 -11.378 1.00 0.00 C ATOM 306 C LYS A 22 2.664 2.381 -10.552 1.00 0.00 C ATOM 307 O LYS A 22 1.508 2.324 -10.972 1.00 0.00 O ATOM 308 CB LYS A 22 3.284 1.073 -12.592 1.00 0.00 C ATOM 309 CG LYS A 22 4.360 0.351 -13.385 1.00 0.00 C ATOM 310 CD LYS A 22 5.184 1.320 -14.216 1.00 0.00 C ATOM 311 CE LYS A 22 5.762 0.645 -15.450 1.00 0.00 C ATOM 312 NZ LYS A 22 4.799 0.649 -16.587 1.00 0.00 N ATOM 0 H LYS A 22 5.603 1.332 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 22 4.429 2.671 -11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.543 0.347 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.769 1.773 -13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.014 -0.192 -12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.897 -0.388 -14.039 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.561 2.162 -14.519 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.994 1.724 -13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.678 1.156 -15.748 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.034 -0.382 -15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.230 0.180 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.935 0.140 -16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.559 1.630 -16.835 1.00 0.00 H new ATOM 326 N VAL A 23 2.981 2.913 -9.376 1.00 0.00 N ATOM 327 CA VAL A 23 1.966 3.474 -8.492 1.00 0.00 C ATOM 328 C VAL A 23 2.302 4.911 -8.111 1.00 0.00 C ATOM 329 O VAL A 23 1.411 5.722 -7.856 1.00 0.00 O ATOM 330 CB VAL A 23 1.814 2.636 -7.209 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.354 1.225 -7.543 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.122 2.610 -6.433 1.00 0.00 C ATOM 0 H VAL A 23 3.933 2.967 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 23 1.025 3.458 -9.041 1.00 0.00 H new ATOM 0 HB VAL A 23 1.054 3.100 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.252 0.648 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.392 1.267 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.088 0.747 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.997 2.014 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.904 2.171 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.404 3.627 -6.160 1.00 0.00 H new ATOM 342 N LEU A 24 3.593 5.221 -8.075 1.00 0.00 N ATOM 343 CA LEU A 24 4.049 6.562 -7.725 1.00 0.00 C ATOM 344 C LEU A 24 5.117 7.045 -8.701 1.00 0.00 C ATOM 345 O LEU A 24 5.868 6.258 -9.278 1.00 0.00 O ATOM 346 CB LEU A 24 4.600 6.578 -6.298 1.00 0.00 C ATOM 347 CG LEU A 24 3.582 6.338 -5.183 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.289 6.008 -3.877 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.683 7.553 -5.012 1.00 0.00 C ATOM 0 H LEU A 24 4.343 4.562 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 24 3.196 7.237 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.378 5.819 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.078 7.542 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 24 2.960 5.487 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.549 5.840 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.891 5.108 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.935 6.839 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.965 7.365 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.290 8.422 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.149 7.745 -5.943 1.00 0.00 H new ATOM 361 N PRO A 25 5.191 8.371 -8.889 1.00 0.00 N ATOM 362 CA PRO A 25 6.165 8.990 -9.792 1.00 0.00 C ATOM 363 C PRO A 25 7.592 8.888 -9.263 1.00 0.00 C ATOM 364 O PRO A 25 7.814 8.808 -8.055 1.00 0.00 O ATOM 365 CB PRO A 25 5.719 10.454 -9.847 1.00 0.00 C ATOM 366 CG PRO A 25 4.993 10.676 -8.565 1.00 0.00 C ATOM 367 CD PRO A 25 4.328 9.369 -8.234 1.00 0.00 C ATOM 0 HA PRO A 25 6.186 8.500 -10.765 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.573 11.125 -9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.073 10.639 -10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.681 10.975 -7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.257 11.474 -8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.273 9.208 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.308 9.330 -8.615 1.00 0.00 H new ATOM 375 N THR A 26 8.558 8.890 -10.177 1.00 0.00 N ATOM 376 CA THR A 26 9.964 8.797 -9.802 1.00 0.00 C ATOM 377 C THR A 26 10.391 9.998 -8.967 1.00 0.00 C ATOM 378 O THR A 26 11.290 9.897 -8.133 1.00 0.00 O ATOM 379 CB THR A 26 10.870 8.701 -11.044 1.00 0.00 C ATOM 380 OG1 THR A 26 10.810 9.922 -11.790 1.00 0.00 O ATOM 381 CG2 THR A 26 10.453 7.538 -11.931 1.00 0.00 C ATOM 0 H THR A 26 8.392 8.955 -11.181 1.00 0.00 H new ATOM 0 HA THR A 26 10.074 7.889 -9.209 1.00 0.00 H new ATOM 0 HB THR A 26 11.893 8.531 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.390 9.853 -12.577 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.108 7.491 -12.801 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.529 6.607 -11.369 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.423 7.681 -12.259 1.00 0.00 H new ATOM 389 N ASN A 27 9.740 11.134 -9.196 1.00 0.00 N ATOM 390 CA ASN A 27 10.054 12.355 -8.463 1.00 0.00 C ATOM 391 C ASN A 27 8.962 12.675 -7.446 1.00 0.00 C ATOM 392 O ASN A 27 8.788 13.827 -7.047 1.00 0.00 O ATOM 393 CB ASN A 27 10.222 13.528 -9.432 1.00 0.00 C ATOM 394 CG ASN A 27 11.097 14.628 -8.862 1.00 0.00 C ATOM 395 OD1 ASN A 27 10.634 15.743 -8.622 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.369 14.318 -8.643 1.00 0.00 N ATOM 0 H ASN A 27 8.992 11.234 -9.883 1.00 0.00 H new ATOM 0 HA ASN A 27 10.990 12.197 -7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.658 13.167 -10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.242 13.937 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.006 15.017 -8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.710 13.381 -8.857 1.00 0.00 H new ATOM 403 N HIS A 28 8.230 11.646 -7.029 1.00 0.00 N ATOM 404 CA HIS A 28 7.156 11.817 -6.057 1.00 0.00 C ATOM 405 C HIS A 28 7.644 12.594 -4.839 1.00 0.00 C ATOM 406 O HIS A 28 8.841 12.836 -4.684 1.00 0.00 O ATOM 407 CB HIS A 28 6.611 10.455 -5.624 1.00 0.00 C ATOM 408 CG HIS A 28 5.201 10.507 -5.121 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.768 9.799 -4.020 1.00 0.00 N ATOM 410 CD2 HIS A 28 4.124 11.189 -5.575 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.485 10.042 -3.819 1.00 0.00 C ATOM 412 NE2 HIS A 28 3.070 10.883 -4.749 1.00 0.00 N ATOM 0 H HIS A 28 8.361 10.686 -7.349 1.00 0.00 H new ATOM 0 HA HIS A 28 6.356 12.386 -6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.662 9.767 -6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.252 10.048 -4.842 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.098 11.851 -6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.879 9.624 -3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.121 11.246 -4.839 1.00 0.00 H new ATOM 421 N ARG A 29 6.709 12.983 -3.977 1.00 0.00 N ATOM 422 CA ARG A 29 7.045 13.735 -2.774 1.00 0.00 C ATOM 423 C ARG A 29 7.601 12.812 -1.694 1.00 0.00 C ATOM 424 O ARG A 29 8.365 13.241 -0.829 1.00 0.00 O ATOM 425 CB ARG A 29 5.811 14.469 -2.246 1.00 0.00 C ATOM 426 CG ARG A 29 4.615 13.561 -2.011 1.00 0.00 C ATOM 427 CD ARG A 29 3.642 14.169 -1.013 1.00 0.00 C ATOM 428 NE ARG A 29 2.353 13.483 -1.019 1.00 0.00 N ATOM 429 CZ ARG A 29 1.423 13.672 -1.949 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.640 14.522 -2.943 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.275 13.011 -1.885 1.00 0.00 N ATOM 0 H ARG A 29 5.714 12.790 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 29 7.811 14.465 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.068 14.967 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.531 15.248 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.103 13.380 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.958 12.594 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.073 14.123 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.493 15.223 -1.248 1.00 0.00 H new ATOM 0 HE ARG A 29 2.156 12.822 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.522 15.032 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.925 14.666 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.105 12.357 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.438 13.157 -2.600 1.00 0.00 H new ATOM 445 N VAL A 30 7.213 11.542 -1.750 1.00 0.00 N ATOM 446 CA VAL A 30 7.673 10.558 -0.778 1.00 0.00 C ATOM 447 C VAL A 30 9.155 10.253 -0.963 1.00 0.00 C ATOM 448 O VAL A 30 9.838 9.838 -0.026 1.00 0.00 O ATOM 449 CB VAL A 30 6.873 9.246 -0.886 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.380 9.523 -0.813 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.226 8.511 -2.170 1.00 0.00 C ATOM 0 H VAL A 30 6.581 11.170 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 30 7.515 10.991 0.210 1.00 0.00 H new ATOM 0 HB VAL A 30 7.140 8.607 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.832 8.584 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.145 10.003 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.092 10.181 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.652 7.587 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.989 9.141 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.291 8.278 -2.175 1.00 0.00 H new ATOM 461 N THR A 31 9.649 10.463 -2.180 1.00 0.00 N ATOM 462 CA THR A 31 11.051 10.210 -2.490 1.00 0.00 C ATOM 463 C THR A 31 11.959 11.206 -1.777 1.00 0.00 C ATOM 464 O THR A 31 13.035 10.847 -1.300 1.00 0.00 O ATOM 465 CB THR A 31 11.314 10.286 -4.005 1.00 0.00 C ATOM 466 OG1 THR A 31 11.023 11.603 -4.488 1.00 0.00 O ATOM 467 CG2 THR A 31 10.466 9.268 -4.753 1.00 0.00 C ATOM 0 H THR A 31 9.099 10.808 -2.967 1.00 0.00 H new ATOM 0 HA THR A 31 11.276 9.202 -2.141 1.00 0.00 H new ATOM 0 HB THR A 31 12.366 10.059 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.053 11.740 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.669 9.340 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.710 8.265 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.410 9.469 -4.570 1.00 0.00 H new ATOM 475 N TRP A 32 11.519 12.457 -1.709 1.00 0.00 N ATOM 476 CA TRP A 32 12.293 13.505 -1.054 1.00 0.00 C ATOM 477 C TRP A 32 12.674 13.094 0.365 1.00 0.00 C ATOM 478 O TRP A 32 11.941 12.357 1.025 1.00 0.00 O ATOM 479 CB TRP A 32 11.499 14.812 -1.024 1.00 0.00 C ATOM 480 CG TRP A 32 11.382 15.466 -2.367 1.00 0.00 C ATOM 481 CD1 TRP A 32 11.114 14.853 -3.557 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.530 16.861 -2.656 1.00 0.00 C ATOM 483 NE1 TRP A 32 11.088 15.782 -4.569 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.339 17.021 -4.043 1.00 0.00 C ATOM 485 CE3 TRP A 32 11.804 17.989 -1.879 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.415 18.264 -4.665 1.00 0.00 C ATOM 487 CZ3 TRP A 32 11.880 19.222 -2.499 1.00 0.00 C ATOM 488 CH2 TRP A 32 11.685 19.352 -3.880 1.00 0.00 C ATOM 0 H TRP A 32 10.630 12.770 -2.099 1.00 0.00 H new ATOM 0 HA TRP A 32 13.208 13.658 -1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.500 14.613 -0.636 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.978 15.504 -0.331 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.947 13.794 -3.684 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.910 15.581 -5.553 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.954 17.899 -0.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.266 18.366 -5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.093 20.101 -1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.749 20.330 -4.334 1.00 0.00 H new ATOM 499 N ASP A 33 13.822 13.575 0.827 1.00 0.00 N ATOM 500 CA ASP A 33 14.299 13.259 2.168 1.00 0.00 C ATOM 501 C ASP A 33 13.354 13.818 3.227 1.00 0.00 C ATOM 502 O ASP A 33 12.970 13.118 4.164 1.00 0.00 O ATOM 503 CB ASP A 33 15.707 13.817 2.377 1.00 0.00 C ATOM 504 CG ASP A 33 15.881 15.193 1.764 1.00 0.00 C ATOM 505 OD1 ASP A 33 15.855 15.296 0.520 1.00 0.00 O ATOM 506 OD2 ASP A 33 16.044 16.167 2.529 1.00 0.00 O ATOM 0 H ASP A 33 14.440 14.186 0.293 1.00 0.00 H new ATOM 0 HA ASP A 33 14.328 12.174 2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.920 13.869 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.434 13.133 1.940 1.00 0.00 H new ATOM 511 N SER A 34 12.984 15.085 3.072 1.00 0.00 N ATOM 512 CA SER A 34 12.088 15.741 4.018 1.00 0.00 C ATOM 513 C SER A 34 10.844 14.893 4.264 1.00 0.00 C ATOM 514 O SER A 34 10.178 15.032 5.290 1.00 0.00 O ATOM 515 CB SER A 34 11.683 17.121 3.496 1.00 0.00 C ATOM 516 OG SER A 34 10.728 17.729 4.349 1.00 0.00 O ATOM 0 H SER A 34 13.290 15.678 2.301 1.00 0.00 H new ATOM 0 HA SER A 34 12.619 15.859 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.565 17.758 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.270 17.027 2.492 1.00 0.00 H new ATOM 0 HG SER A 34 10.487 18.610 3.994 1.00 0.00 H new ATOM 522 N ALA A 35 10.537 14.014 3.316 1.00 0.00 N ATOM 523 CA ALA A 35 9.375 13.141 3.431 1.00 0.00 C ATOM 524 C ALA A 35 9.530 12.170 4.596 1.00 0.00 C ATOM 525 O ALA A 35 10.639 11.932 5.073 1.00 0.00 O ATOM 526 CB ALA A 35 9.157 12.379 2.132 1.00 0.00 C ATOM 0 H ALA A 35 11.077 13.887 2.460 1.00 0.00 H new ATOM 0 HA ALA A 35 8.502 13.764 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.286 11.731 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.992 13.086 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.037 11.774 1.913 1.00 0.00 H new ATOM 532 N GLN A 36 8.412 11.614 5.050 1.00 0.00 N ATOM 533 CA GLN A 36 8.425 10.670 6.161 1.00 0.00 C ATOM 534 C GLN A 36 7.323 9.627 6.002 1.00 0.00 C ATOM 535 O GLN A 36 6.457 9.750 5.136 1.00 0.00 O ATOM 536 CB GLN A 36 8.255 11.410 7.489 1.00 0.00 C ATOM 537 CG GLN A 36 9.367 12.407 7.776 1.00 0.00 C ATOM 538 CD GLN A 36 9.006 13.381 8.880 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.886 13.371 9.391 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.956 14.230 9.254 1.00 0.00 N ATOM 0 H GLN A 36 7.486 11.801 4.666 1.00 0.00 H new ATOM 0 HA GLN A 36 9.388 10.159 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.300 11.935 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.213 10.682 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.272 11.866 8.055 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.595 12.963 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.870 14.203 8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.771 14.909 9.992 1.00 0.00 H new ATOM 549 N VAL A 37 7.362 8.600 6.845 1.00 0.00 N ATOM 550 CA VAL A 37 6.366 7.535 6.799 1.00 0.00 C ATOM 551 C VAL A 37 4.970 8.099 6.558 1.00 0.00 C ATOM 552 O VAL A 37 4.255 7.652 5.661 1.00 0.00 O ATOM 553 CB VAL A 37 6.359 6.716 8.103 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.545 5.764 8.142 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.367 7.640 9.312 1.00 0.00 C ATOM 0 H VAL A 37 8.072 8.483 7.568 1.00 0.00 H new ATOM 0 HA VAL A 37 6.639 6.882 5.970 1.00 0.00 H new ATOM 0 HB VAL A 37 5.446 6.122 8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.523 5.194 9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.491 5.080 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.472 6.335 8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.362 7.045 10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.262 8.261 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.483 8.277 9.289 1.00 0.00 H new ATOM 565 N PHE A 38 4.588 9.083 7.365 1.00 0.00 N ATOM 566 CA PHE A 38 3.277 9.708 7.240 1.00 0.00 C ATOM 567 C PHE A 38 2.963 10.028 5.781 1.00 0.00 C ATOM 568 O PHE A 38 1.996 9.516 5.216 1.00 0.00 O ATOM 569 CB PHE A 38 3.216 10.987 8.078 1.00 0.00 C ATOM 570 CG PHE A 38 1.838 11.307 8.584 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.716 10.928 7.865 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.665 11.986 9.780 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.552 11.222 8.328 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.399 12.282 10.248 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.711 11.899 9.522 1.00 0.00 C ATOM 0 H PHE A 38 5.168 9.465 8.112 1.00 0.00 H new ATOM 0 HA PHE A 38 2.531 9.004 7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.892 10.888 8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.577 11.822 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.834 10.397 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.530 12.287 10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.419 10.923 7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.278 12.813 11.181 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.701 12.128 9.887 1.00 0.00 H new ATOM 585 N ASP A 39 3.786 10.878 5.178 1.00 0.00 N ATOM 586 CA ASP A 39 3.598 11.266 3.785 1.00 0.00 C ATOM 587 C ASP A 39 3.147 10.076 2.945 1.00 0.00 C ATOM 588 O ASP A 39 2.075 10.101 2.338 1.00 0.00 O ATOM 589 CB ASP A 39 4.894 11.846 3.215 1.00 0.00 C ATOM 590 CG ASP A 39 5.133 13.275 3.660 1.00 0.00 C ATOM 591 OD1 ASP A 39 5.580 13.472 4.809 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.873 14.198 2.859 1.00 0.00 O ATOM 0 H ASP A 39 4.590 11.312 5.632 1.00 0.00 H new ATOM 0 HA ASP A 39 2.820 12.029 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.734 11.226 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.857 11.809 2.126 1.00 0.00 H new ATOM 597 N LEU A 40 3.971 9.034 2.913 1.00 0.00 N ATOM 598 CA LEU A 40 3.658 7.834 2.146 1.00 0.00 C ATOM 599 C LEU A 40 2.408 7.150 2.691 1.00 0.00 C ATOM 600 O LEU A 40 1.715 6.433 1.970 1.00 0.00 O ATOM 601 CB LEU A 40 4.839 6.862 2.177 1.00 0.00 C ATOM 602 CG LEU A 40 4.615 5.512 1.495 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.309 5.705 0.018 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.831 4.615 1.677 1.00 0.00 C ATOM 0 H LEU A 40 4.861 8.996 3.410 1.00 0.00 H new ATOM 0 HA LEU A 40 3.467 8.132 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.695 7.346 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.107 6.681 3.218 1.00 0.00 H new ATOM 0 HG LEU A 40 3.758 5.028 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.152 4.734 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.409 6.310 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.146 6.210 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.654 3.658 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.705 5.094 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.005 4.450 2.740 1.00 0.00 H new ATOM 616 N ALA A 41 2.124 7.380 3.969 1.00 0.00 N ATOM 617 CA ALA A 41 0.955 6.790 4.610 1.00 0.00 C ATOM 618 C ALA A 41 -0.315 7.552 4.244 1.00 0.00 C ATOM 619 O ALA A 41 -1.416 7.006 4.305 1.00 0.00 O ATOM 620 CB ALA A 41 1.139 6.761 6.120 1.00 0.00 C ATOM 0 H ALA A 41 2.687 7.971 4.581 1.00 0.00 H new ATOM 0 HA ALA A 41 0.851 5.767 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.259 6.318 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.018 6.167 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.272 7.778 6.490 1.00 0.00 H new ATOM 626 N GLN A 42 -0.153 8.816 3.867 1.00 0.00 N ATOM 627 CA GLN A 42 -1.287 9.653 3.493 1.00 0.00 C ATOM 628 C GLN A 42 -1.733 9.359 2.065 1.00 0.00 C ATOM 629 O GLN A 42 -2.905 9.074 1.814 1.00 0.00 O ATOM 630 CB GLN A 42 -0.924 11.132 3.633 1.00 0.00 C ATOM 631 CG GLN A 42 -0.437 11.511 5.022 1.00 0.00 C ATOM 632 CD GLN A 42 -0.727 12.958 5.368 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.795 13.482 5.048 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.223 13.612 6.026 1.00 0.00 N ATOM 0 H GLN A 42 0.752 9.283 3.812 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.113 9.424 4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.150 11.378 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.797 11.737 3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.912 10.863 5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.637 11.334 5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.092 13.138 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.083 14.588 6.287 1.00 0.00 H new ATOM 643 N THR A 43 -0.791 9.430 1.129 1.00 0.00 N ATOM 644 CA THR A 43 -1.087 9.173 -0.275 1.00 0.00 C ATOM 645 C THR A 43 -1.893 7.890 -0.441 1.00 0.00 C ATOM 646 O THR A 43 -2.608 7.717 -1.429 1.00 0.00 O ATOM 647 CB THR A 43 0.203 9.068 -1.110 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.120 9.019 -2.505 1.00 0.00 O ATOM 649 CG2 THR A 43 0.998 7.829 -0.725 1.00 0.00 C ATOM 0 H THR A 43 0.184 9.663 1.318 1.00 0.00 H new ATOM 0 HA THR A 43 -1.676 10.017 -0.634 1.00 0.00 H new ATOM 0 HB THR A 43 0.813 9.949 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.705 8.954 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.904 7.776 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.267 7.882 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.393 6.939 -0.901 1.00 0.00 H new ATOM 657 N LEU A 44 -1.774 6.992 0.531 1.00 0.00 N ATOM 658 CA LEU A 44 -2.493 5.723 0.493 1.00 0.00 C ATOM 659 C LEU A 44 -3.674 5.737 1.458 1.00 0.00 C ATOM 660 O LEU A 44 -4.639 4.992 1.285 1.00 0.00 O ATOM 661 CB LEU A 44 -1.550 4.570 0.840 1.00 0.00 C ATOM 662 CG LEU A 44 -0.257 4.492 0.028 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.789 3.672 0.767 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.526 3.902 -1.348 1.00 0.00 C ATOM 0 H LEU A 44 -1.186 7.119 1.355 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.875 5.580 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.288 4.646 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.092 3.633 0.713 1.00 0.00 H new ATOM 0 HG LEU A 44 0.129 5.503 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.702 3.628 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.003 4.138 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.412 2.662 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.406 3.854 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.936 2.898 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.240 4.530 -1.880 1.00 0.00 H new ATOM 676 N ARG A 45 -3.593 6.592 2.472 1.00 0.00 N ATOM 677 CA ARG A 45 -4.656 6.704 3.464 1.00 0.00 C ATOM 678 C ARG A 45 -6.023 6.773 2.790 1.00 0.00 C ATOM 679 O ARG A 45 -7.030 6.356 3.363 1.00 0.00 O ATOM 680 CB ARG A 45 -4.442 7.944 4.334 1.00 0.00 C ATOM 681 CG ARG A 45 -5.526 8.150 5.379 1.00 0.00 C ATOM 682 CD ARG A 45 -5.662 9.615 5.760 1.00 0.00 C ATOM 683 NE ARG A 45 -6.910 9.883 6.470 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.426 11.099 6.616 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.805 12.152 6.104 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.566 11.262 7.275 1.00 0.00 N ATOM 0 H ARG A 45 -2.802 7.217 2.628 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.625 5.816 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.477 7.864 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.396 8.824 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.478 7.783 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.293 7.562 6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.819 9.906 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.618 10.229 4.860 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.413 9.094 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.929 12.030 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.203 13.084 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.047 10.454 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.961 12.196 7.387 1.00 0.00 H new ATOM 700 N ASP A 46 -6.050 7.300 1.571 1.00 0.00 N ATOM 701 CA ASP A 46 -7.293 7.423 0.819 1.00 0.00 C ATOM 702 C ASP A 46 -7.839 6.049 0.444 1.00 0.00 C ATOM 703 O ASP A 46 -9.037 5.792 0.561 1.00 0.00 O ATOM 704 CB ASP A 46 -7.071 8.258 -0.443 1.00 0.00 C ATOM 705 CG ASP A 46 -5.994 7.678 -1.339 1.00 0.00 C ATOM 706 OD1 ASP A 46 -4.984 7.176 -0.803 1.00 0.00 O ATOM 707 OD2 ASP A 46 -6.161 7.727 -2.576 1.00 0.00 O ATOM 0 H ASP A 46 -5.225 7.649 1.083 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.024 7.925 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.006 8.325 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.795 9.274 -0.159 1.00 0.00 H new ATOM 712 N GLY A 47 -6.952 5.168 -0.009 1.00 0.00 N ATOM 713 CA GLY A 47 -7.364 3.832 -0.396 1.00 0.00 C ATOM 714 C GLY A 47 -7.685 3.728 -1.874 1.00 0.00 C ATOM 715 O GLY A 47 -8.449 2.858 -2.291 1.00 0.00 O ATOM 0 H GLY A 47 -5.955 5.356 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.572 3.125 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.241 3.543 0.184 1.00 0.00 H new ATOM 719 N VAL A 48 -7.103 4.621 -2.668 1.00 0.00 N ATOM 720 CA VAL A 48 -7.332 4.627 -4.108 1.00 0.00 C ATOM 721 C VAL A 48 -6.128 4.068 -4.858 1.00 0.00 C ATOM 722 O VAL A 48 -6.276 3.404 -5.885 1.00 0.00 O ATOM 723 CB VAL A 48 -7.629 6.048 -4.623 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.843 6.037 -6.129 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.839 6.631 -3.909 1.00 0.00 C ATOM 0 H VAL A 48 -6.470 5.349 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.199 3.993 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.768 6.681 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.052 7.050 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.945 5.663 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.686 5.390 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.035 7.635 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.708 5.999 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.642 6.677 -2.838 1.00 0.00 H new ATOM 735 N LEU A 49 -4.936 4.341 -4.339 1.00 0.00 N ATOM 736 CA LEU A 49 -3.704 3.864 -4.959 1.00 0.00 C ATOM 737 C LEU A 49 -3.475 2.388 -4.650 1.00 0.00 C ATOM 738 O LEU A 49 -3.197 1.591 -5.547 1.00 0.00 O ATOM 739 CB LEU A 49 -2.512 4.690 -4.473 1.00 0.00 C ATOM 740 CG LEU A 49 -1.181 4.428 -5.179 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.344 4.547 -6.686 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.114 5.390 -4.678 1.00 0.00 C ATOM 0 H LEU A 49 -4.796 4.890 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.801 3.979 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.758 5.746 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.378 4.505 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.863 3.411 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.387 4.357 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.077 3.818 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.685 5.551 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.827 5.189 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.425 6.415 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.022 5.256 -3.605 1.00 0.00 H new ATOM 754 N LEU A 50 -3.594 2.030 -3.377 1.00 0.00 N ATOM 755 CA LEU A 50 -3.402 0.649 -2.949 1.00 0.00 C ATOM 756 C LEU A 50 -3.998 -0.323 -3.962 1.00 0.00 C ATOM 757 O LEU A 50 -3.303 -1.198 -4.480 1.00 0.00 O ATOM 758 CB LEU A 50 -4.038 0.426 -1.576 1.00 0.00 C ATOM 759 CG LEU A 50 -3.140 0.696 -0.368 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.963 0.735 0.911 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.047 -0.359 -0.270 1.00 0.00 C ATOM 0 H LEU A 50 -3.823 2.677 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.330 0.462 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.919 1.063 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.385 -0.606 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.667 1.669 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.307 0.928 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.708 1.528 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.464 -0.223 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.417 -0.151 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.501 -1.344 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.439 -0.338 -1.174 1.00 0.00 H new ATOM 773 N CYS A 51 -5.286 -0.161 -4.241 1.00 0.00 N ATOM 774 CA CYS A 51 -5.976 -1.024 -5.194 1.00 0.00 C ATOM 775 C CYS A 51 -5.211 -1.099 -6.512 1.00 0.00 C ATOM 776 O CYS A 51 -5.055 -2.175 -7.088 1.00 0.00 O ATOM 777 CB CYS A 51 -7.395 -0.512 -5.443 1.00 0.00 C ATOM 778 SG CYS A 51 -8.530 -0.780 -4.061 1.00 0.00 S ATOM 0 H CYS A 51 -5.874 0.559 -3.822 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.029 -2.026 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.352 0.555 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.797 -1.003 -6.329 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.982 0.365 -3.642 1.00 0.00 H new ATOM 784 N GLN A 52 -4.740 0.051 -6.983 1.00 0.00 N ATOM 785 CA GLN A 52 -3.994 0.115 -8.234 1.00 0.00 C ATOM 786 C GLN A 52 -2.792 -0.823 -8.200 1.00 0.00 C ATOM 787 O GLN A 52 -2.620 -1.662 -9.086 1.00 0.00 O ATOM 788 CB GLN A 52 -3.530 1.548 -8.503 1.00 0.00 C ATOM 789 CG GLN A 52 -4.653 2.570 -8.452 1.00 0.00 C ATOM 790 CD GLN A 52 -4.405 3.756 -9.363 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.570 4.614 -9.071 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.130 3.812 -10.474 1.00 0.00 N ATOM 0 H GLN A 52 -4.862 0.950 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.657 -0.202 -9.039 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.770 1.819 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.056 1.590 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.590 2.089 -8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.772 2.922 -7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.810 3.080 -10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.006 4.587 -11.125 1.00 0.00 H new ATOM 801 N LEU A 53 -1.962 -0.677 -7.172 1.00 0.00 N ATOM 802 CA LEU A 53 -0.775 -1.511 -7.022 1.00 0.00 C ATOM 803 C LEU A 53 -1.048 -2.936 -7.494 1.00 0.00 C ATOM 804 O LEU A 53 -0.342 -3.462 -8.356 1.00 0.00 O ATOM 805 CB LEU A 53 -0.318 -1.524 -5.563 1.00 0.00 C ATOM 806 CG LEU A 53 0.742 -2.564 -5.201 1.00 0.00 C ATOM 807 CD1 LEU A 53 2.103 -2.150 -5.739 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.802 -2.763 -3.693 1.00 0.00 C ATOM 0 H LEU A 53 -2.090 0.011 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 53 0.017 -1.088 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.072 -0.536 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.191 -1.689 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 53 0.464 -3.512 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.844 -2.903 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.053 -2.060 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.388 -1.190 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.562 -3.507 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.055 -1.818 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.168 -3.106 -3.332 1.00 0.00 H new ATOM 820 N LEU A 54 -2.077 -3.555 -6.926 1.00 0.00 N ATOM 821 CA LEU A 54 -2.445 -4.919 -7.290 1.00 0.00 C ATOM 822 C LEU A 54 -2.759 -5.019 -8.779 1.00 0.00 C ATOM 823 O LEU A 54 -2.311 -5.942 -9.457 1.00 0.00 O ATOM 824 CB LEU A 54 -3.652 -5.378 -6.470 1.00 0.00 C ATOM 825 CG LEU A 54 -3.510 -5.273 -4.951 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.721 -5.880 -4.259 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.232 -5.955 -4.486 1.00 0.00 C ATOM 0 H LEU A 54 -2.671 -3.134 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.597 -5.569 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.518 -4.791 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.865 -6.416 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.454 -4.218 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.603 -5.796 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.621 -5.348 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.808 -6.931 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.148 -5.870 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.259 -7.008 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.373 -5.476 -4.955 1.00 0.00 H new ATOM 839 N ASN A 55 -3.531 -4.061 -9.281 1.00 0.00 N ATOM 840 CA ASN A 55 -3.905 -4.040 -10.691 1.00 0.00 C ATOM 841 C ASN A 55 -2.666 -4.009 -11.581 1.00 0.00 C ATOM 842 O ASN A 55 -2.668 -4.555 -12.684 1.00 0.00 O ATOM 843 CB ASN A 55 -4.791 -2.829 -10.988 1.00 0.00 C ATOM 844 CG ASN A 55 -6.237 -3.060 -10.594 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.772 -4.155 -10.767 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.877 -2.025 -10.061 1.00 0.00 N ATOM 0 H ASN A 55 -3.910 -3.289 -8.733 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.464 -4.951 -10.907 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.406 -1.961 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.740 -2.597 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.852 -2.120 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.393 -1.136 -9.936 1.00 0.00 H new ATOM 853 N ASN A 56 -1.610 -3.366 -11.094 1.00 0.00 N ATOM 854 CA ASN A 56 -0.364 -3.263 -11.845 1.00 0.00 C ATOM 855 C ASN A 56 0.323 -4.622 -11.948 1.00 0.00 C ATOM 856 O ASN A 56 0.695 -5.060 -13.037 1.00 0.00 O ATOM 857 CB ASN A 56 0.575 -2.254 -11.180 1.00 0.00 C ATOM 858 CG ASN A 56 0.347 -0.839 -11.676 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.606 -0.528 -12.838 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.139 0.026 -10.793 1.00 0.00 N ATOM 0 H ASN A 56 -1.592 -2.908 -10.183 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.603 -2.919 -12.851 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.432 -2.285 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.609 -2.542 -11.373 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.312 0.993 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.339 -0.277 -9.840 1.00 0.00 H new ATOM 867 N LEU A 57 0.486 -5.284 -10.808 1.00 0.00 N ATOM 868 CA LEU A 57 1.127 -6.594 -10.770 1.00 0.00 C ATOM 869 C LEU A 57 0.284 -7.634 -11.500 1.00 0.00 C ATOM 870 O LEU A 57 0.755 -8.286 -12.433 1.00 0.00 O ATOM 871 CB LEU A 57 1.354 -7.030 -9.321 1.00 0.00 C ATOM 872 CG LEU A 57 1.962 -5.979 -8.391 1.00 0.00 C ATOM 873 CD1 LEU A 57 2.208 -6.567 -7.010 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.255 -5.432 -8.978 1.00 0.00 C ATOM 0 H LEU A 57 0.184 -4.936 -9.898 1.00 0.00 H new ATOM 0 HA LEU A 57 2.090 -6.515 -11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.398 -7.346 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.005 -7.904 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 57 1.254 -5.156 -8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.641 -5.805 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.264 -6.910 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.896 -7.409 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.674 -4.685 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.969 -6.246 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.050 -4.973 -9.945 1.00 0.00 H new ATOM 886 N ARG A 58 -0.964 -7.784 -11.071 1.00 0.00 N ATOM 887 CA ARG A 58 -1.873 -8.744 -11.685 1.00 0.00 C ATOM 888 C ARG A 58 -2.965 -8.030 -12.477 1.00 0.00 C ATOM 889 O ARG A 58 -3.230 -6.848 -12.261 1.00 0.00 O ATOM 890 CB ARG A 58 -2.505 -9.636 -10.615 1.00 0.00 C ATOM 891 CG ARG A 58 -3.537 -10.608 -11.164 1.00 0.00 C ATOM 892 CD ARG A 58 -3.739 -11.792 -10.231 1.00 0.00 C ATOM 893 NE ARG A 58 -2.868 -12.913 -10.572 1.00 0.00 N ATOM 894 CZ ARG A 58 -2.906 -13.544 -11.740 1.00 0.00 C ATOM 895 NH1 ARG A 58 -3.769 -13.166 -12.674 1.00 0.00 N ATOM 896 NH2 ARG A 58 -2.081 -14.556 -11.977 1.00 0.00 N ATOM 0 H ARG A 58 -1.369 -7.253 -10.300 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.297 -9.364 -12.372 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.719 -10.199 -10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.977 -9.006 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.486 -10.091 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.217 -10.965 -12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.545 -11.482 -9.204 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.779 -12.115 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.193 -13.229 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.405 -12.389 -12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.796 -13.652 -13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.416 -14.850 -11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.112 -15.039 -12.875 1.00 0.00 H new ATOM 910 N ALA A 59 -3.595 -8.757 -13.394 1.00 0.00 N ATOM 911 CA ALA A 59 -4.658 -8.194 -14.217 1.00 0.00 C ATOM 912 C ALA A 59 -6.030 -8.501 -13.626 1.00 0.00 C ATOM 913 O ALA A 59 -6.250 -9.576 -13.068 1.00 0.00 O ATOM 914 CB ALA A 59 -4.563 -8.725 -15.639 1.00 0.00 C ATOM 0 H ALA A 59 -3.387 -9.737 -13.585 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.533 -7.111 -14.237 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.363 -8.296 -16.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.599 -8.450 -16.067 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.659 -9.811 -15.629 1.00 0.00 H new ATOM 920 N HIS A 60 -6.950 -7.550 -13.753 1.00 0.00 N ATOM 921 CA HIS A 60 -8.302 -7.720 -13.231 1.00 0.00 C ATOM 922 C HIS A 60 -8.275 -7.976 -11.727 1.00 0.00 C ATOM 923 O HIS A 60 -9.180 -8.605 -11.179 1.00 0.00 O ATOM 924 CB HIS A 60 -9.005 -8.875 -13.944 1.00 0.00 C ATOM 925 CG HIS A 60 -9.683 -8.469 -15.217 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.914 -7.850 -15.250 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.292 -8.595 -16.507 1.00 0.00 C ATOM 928 CE1 HIS A 60 -11.253 -7.615 -16.505 1.00 0.00 C ATOM 929 NE2 HIS A 60 -10.286 -8.057 -17.288 1.00 0.00 N ATOM 0 H HIS A 60 -6.785 -6.654 -14.212 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.855 -6.799 -13.415 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.275 -9.654 -14.163 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.744 -9.311 -13.271 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.370 -9.036 -16.857 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.166 -7.142 -16.835 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.278 -8.007 -18.307 1.00 0.00 H new ATOM 938 N SER A 61 -7.232 -7.484 -11.066 1.00 0.00 N ATOM 939 CA SER A 61 -7.086 -7.664 -9.627 1.00 0.00 C ATOM 940 C SER A 61 -8.181 -6.916 -8.872 1.00 0.00 C ATOM 941 O SER A 61 -8.738 -7.426 -7.899 1.00 0.00 O ATOM 942 CB SER A 61 -5.710 -7.176 -9.168 1.00 0.00 C ATOM 943 OG SER A 61 -4.699 -7.568 -10.080 1.00 0.00 O ATOM 0 H SER A 61 -6.476 -6.958 -11.504 1.00 0.00 H new ATOM 0 HA SER A 61 -7.179 -8.728 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.718 -6.090 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.489 -7.579 -8.180 1.00 0.00 H new ATOM 0 HG SER A 61 -3.876 -7.072 -9.889 1.00 0.00 H new ATOM 949 N ILE A 62 -8.484 -5.705 -9.327 1.00 0.00 N ATOM 950 CA ILE A 62 -9.512 -4.888 -8.696 1.00 0.00 C ATOM 951 C ILE A 62 -10.209 -3.996 -9.718 1.00 0.00 C ATOM 952 O ILE A 62 -9.564 -3.400 -10.579 1.00 0.00 O ATOM 953 CB ILE A 62 -8.924 -4.006 -7.579 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.165 -4.866 -6.567 1.00 0.00 C ATOM 955 CG2 ILE A 62 -10.027 -3.217 -6.890 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.617 -4.080 -5.396 1.00 0.00 C ATOM 0 H ILE A 62 -8.032 -5.268 -10.130 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.238 -5.575 -8.261 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.224 -3.300 -8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.830 -5.644 -6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.341 -5.368 -7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.595 -2.599 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.528 -2.580 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.750 -3.907 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.091 -4.754 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.926 -3.319 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.438 -3.600 -4.864 1.00 0.00 H new ATOM 968 N ASN A 63 -11.532 -3.910 -9.616 1.00 0.00 N ATOM 969 CA ASN A 63 -12.317 -3.090 -10.531 1.00 0.00 C ATOM 970 C ASN A 63 -12.338 -1.634 -10.075 1.00 0.00 C ATOM 971 O ASN A 63 -13.019 -1.283 -9.111 1.00 0.00 O ATOM 972 CB ASN A 63 -13.747 -3.625 -10.629 1.00 0.00 C ATOM 973 CG ASN A 63 -14.621 -2.779 -11.534 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.150 -1.827 -12.157 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.901 -3.123 -11.612 1.00 0.00 N ATOM 0 H ASN A 63 -12.082 -4.398 -8.909 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.849 -3.138 -11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.724 -4.648 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.188 -3.660 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.537 -2.591 -12.206 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.248 -3.920 -11.078 1.00 0.00 H new ATOM 982 N LEU A 64 -11.587 -0.790 -10.776 1.00 0.00 N ATOM 983 CA LEU A 64 -11.519 0.629 -10.444 1.00 0.00 C ATOM 984 C LEU A 64 -12.914 1.201 -10.212 1.00 0.00 C ATOM 985 O LEU A 64 -13.096 2.114 -9.405 1.00 0.00 O ATOM 986 CB LEU A 64 -10.819 1.401 -11.564 1.00 0.00 C ATOM 987 CG LEU A 64 -9.370 1.002 -11.849 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.876 1.666 -13.125 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.475 1.368 -10.675 1.00 0.00 C ATOM 0 H LEU A 64 -11.018 -1.064 -11.577 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.945 0.735 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.396 1.276 -12.480 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.841 2.462 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.331 -0.079 -11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.844 1.371 -13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.500 1.354 -13.962 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.930 2.749 -13.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.448 1.077 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.519 2.444 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.816 0.846 -9.781 1.00 0.00 H new ATOM 1001 N LYS A 65 -13.897 0.659 -10.922 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.276 1.112 -10.792 1.00 0.00 C ATOM 1003 C LYS A 65 -15.849 0.726 -9.432 1.00 0.00 C ATOM 1004 O LYS A 65 -16.653 1.459 -8.857 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.138 0.516 -11.908 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.617 0.813 -13.303 1.00 0.00 C ATOM 1007 CD LYS A 65 -15.729 2.291 -13.638 1.00 0.00 C ATOM 1008 CE LYS A 65 -15.062 2.614 -14.966 1.00 0.00 C ATOM 1009 NZ LYS A 65 -13.613 2.915 -14.800 1.00 0.00 N ATOM 0 H LYS A 65 -13.764 -0.096 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.285 2.199 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.196 -0.564 -11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.153 0.904 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.576 0.500 -13.377 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.178 0.230 -14.033 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.780 2.577 -13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.268 2.881 -12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.182 1.772 -15.647 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.560 3.468 -15.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.195 3.130 -15.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.499 3.735 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.132 2.091 -14.386 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.429 -0.427 -8.923 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.901 -0.909 -7.630 1.00 0.00 C ATOM 1025 C GLU A 66 -15.413 -0.004 -6.502 1.00 0.00 C ATOM 1026 O GLU A 66 -15.996 0.023 -5.417 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.425 -2.343 -7.390 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.246 -3.388 -8.128 1.00 0.00 C ATOM 1029 CD GLU A 66 -17.447 -3.857 -7.330 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -18.401 -3.067 -7.175 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -17.432 -5.014 -6.860 1.00 0.00 O ATOM 0 H GLU A 66 -14.763 -1.045 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.991 -0.893 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.383 -2.427 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.459 -2.554 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.585 -2.974 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.613 -4.244 -8.361 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.341 0.735 -6.766 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.775 1.640 -5.774 1.00 0.00 C ATOM 1040 C ILE A 67 -14.044 3.096 -6.141 1.00 0.00 C ATOM 1041 O ILE A 67 -13.943 3.482 -7.305 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.256 1.433 -5.624 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.584 1.414 -6.998 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.969 0.144 -4.869 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.073 1.388 -6.932 1.00 0.00 C ATOM 0 H ILE A 67 -13.847 0.725 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.260 1.411 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.845 2.265 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.930 0.541 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.900 2.293 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.891 0.012 -4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.420 0.195 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.390 -0.700 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.665 1.375 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.716 2.275 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.747 0.495 -6.398 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.387 3.899 -5.139 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.670 5.313 -5.357 1.00 0.00 C ATOM 1059 C ASN A 68 -13.379 6.103 -5.552 1.00 0.00 C ATOM 1060 O ASN A 68 -12.824 6.652 -4.599 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.457 5.885 -4.175 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.701 5.075 -3.864 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.739 5.241 -4.504 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -16.601 4.194 -2.875 1.00 0.00 N ATOM 0 H ASN A 68 -14.476 3.595 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.270 5.402 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.815 5.913 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.742 6.914 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.405 3.621 -2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.720 4.090 -2.372 1.00 0.00 H new ATOM 1071 N LEU A 69 -12.907 6.157 -6.792 1.00 0.00 N ATOM 1072 CA LEU A 69 -11.681 6.880 -7.113 1.00 0.00 C ATOM 1073 C LEU A 69 -11.676 8.259 -6.462 1.00 0.00 C ATOM 1074 O LEU A 69 -10.621 8.782 -6.102 1.00 0.00 O ATOM 1075 CB LEU A 69 -11.531 7.019 -8.629 1.00 0.00 C ATOM 1076 CG LEU A 69 -11.305 5.720 -9.403 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -11.877 5.829 -10.808 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -9.822 5.380 -9.455 1.00 0.00 C ATOM 0 H LEU A 69 -13.354 5.709 -7.592 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.839 6.310 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.427 7.500 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.695 7.689 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.824 4.915 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.707 4.895 -11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.948 6.024 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.387 6.646 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.681 4.452 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.281 6.186 -9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.441 5.258 -8.441 1.00 0.00 H new ATOM 1090 N ARG A 70 -12.861 8.841 -6.311 1.00 0.00 N ATOM 1091 CA ARG A 70 -12.993 10.159 -5.702 1.00 0.00 C ATOM 1092 C ARG A 70 -13.806 10.083 -4.413 1.00 0.00 C ATOM 1093 O ARG A 70 -15.012 10.335 -4.395 1.00 0.00 O ATOM 1094 CB ARG A 70 -13.655 11.132 -6.679 1.00 0.00 C ATOM 1095 CG ARG A 70 -13.244 12.581 -6.468 1.00 0.00 C ATOM 1096 CD ARG A 70 -14.018 13.518 -7.381 1.00 0.00 C ATOM 1097 NE ARG A 70 -13.429 13.592 -8.715 1.00 0.00 N ATOM 1098 CZ ARG A 70 -13.697 12.726 -9.686 1.00 0.00 C ATOM 1099 NH1 ARG A 70 -14.541 11.726 -9.473 1.00 0.00 N ATOM 1100 NH2 ARG A 70 -13.121 12.861 -10.874 1.00 0.00 N ATOM 0 H ARG A 70 -13.744 8.421 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.994 10.522 -5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -13.405 10.837 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.738 11.052 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.415 12.861 -5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.176 12.688 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.050 13.177 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.044 14.515 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.776 14.350 -8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.987 11.620 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.745 11.063 -10.221 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.472 13.630 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.327 12.196 -11.619 1.00 0.00 H new ATOM 1114 N PRO A 71 -13.134 9.727 -3.309 1.00 0.00 N ATOM 1115 CA PRO A 71 -13.775 9.610 -1.995 1.00 0.00 C ATOM 1116 C PRO A 71 -14.185 10.964 -1.427 1.00 0.00 C ATOM 1117 O PRO A 71 -15.018 11.041 -0.524 1.00 0.00 O ATOM 1118 CB PRO A 71 -12.688 8.973 -1.126 1.00 0.00 C ATOM 1119 CG PRO A 71 -11.406 9.355 -1.782 1.00 0.00 C ATOM 1120 CD PRO A 71 -11.697 9.412 -3.256 1.00 0.00 C ATOM 0 HA PRO A 71 -14.697 9.031 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.734 9.342 -0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.802 7.890 -1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.052 10.319 -1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.625 8.626 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.100 10.176 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.475 8.464 -3.746 1.00 0.00 H new ATOM 1128 N GLN A 72 -13.597 12.028 -1.963 1.00 0.00 N ATOM 1129 CA GLN A 72 -13.902 13.380 -1.509 1.00 0.00 C ATOM 1130 C GLN A 72 -13.754 13.491 0.005 1.00 0.00 C ATOM 1131 O GLN A 72 -14.533 14.179 0.666 1.00 0.00 O ATOM 1132 CB GLN A 72 -15.321 13.772 -1.924 1.00 0.00 C ATOM 1133 CG GLN A 72 -15.408 14.337 -3.333 1.00 0.00 C ATOM 1134 CD GLN A 72 -16.815 14.763 -3.705 1.00 0.00 C ATOM 1135 OE1 GLN A 72 -17.400 15.638 -3.066 1.00 0.00 O ATOM 1136 NE2 GLN A 72 -17.365 14.147 -4.744 1.00 0.00 N ATOM 0 H GLN A 72 -12.907 11.980 -2.712 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.193 14.062 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.967 12.897 -1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -15.705 14.511 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.739 15.193 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.060 13.587 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -16.844 13.427 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -18.309 14.393 -5.042 1.00 0.00 H new ATOM 1145 N MET A 73 -12.751 12.810 0.548 1.00 0.00 N ATOM 1146 CA MET A 73 -12.501 12.834 1.985 1.00 0.00 C ATOM 1147 C MET A 73 -13.736 12.385 2.759 1.00 0.00 C ATOM 1148 O MET A 73 -14.184 13.066 3.682 1.00 0.00 O ATOM 1149 CB MET A 73 -12.089 14.238 2.429 1.00 0.00 C ATOM 1150 CG MET A 73 -10.622 14.549 2.180 1.00 0.00 C ATOM 1151 SD MET A 73 -9.566 14.075 3.562 1.00 0.00 S ATOM 1152 CE MET A 73 -9.307 12.338 3.210 1.00 0.00 C ATOM 0 H MET A 73 -12.098 12.235 0.016 1.00 0.00 H new ATOM 0 HA MET A 73 -11.688 12.140 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.701 14.971 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.300 14.350 3.492 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.292 14.029 1.281 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.508 15.616 1.990 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.305 12.048 3.526 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.044 11.743 3.750 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.415 12.164 2.139 1.00 0.00 H new ATOM 1162 N SER A 74 -14.282 11.234 2.378 1.00 0.00 N ATOM 1163 CA SER A 74 -15.469 10.697 3.034 1.00 0.00 C ATOM 1164 C SER A 74 -15.128 9.438 3.825 1.00 0.00 C ATOM 1165 O SER A 74 -15.014 8.350 3.261 1.00 0.00 O ATOM 1166 CB SER A 74 -16.553 10.386 2.000 1.00 0.00 C ATOM 1167 OG SER A 74 -17.302 11.546 1.683 1.00 0.00 O ATOM 0 H SER A 74 -13.922 10.656 1.619 1.00 0.00 H new ATOM 0 HA SER A 74 -15.844 11.450 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.094 9.987 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 74 -17.218 9.614 2.387 1.00 0.00 H new ATOM 0 HG SER A 74 -17.987 11.322 1.019 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.967 9.595 5.135 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.639 8.471 6.004 1.00 0.00 C ATOM 1175 C GLN A 75 -15.376 7.210 5.565 1.00 0.00 C ATOM 1176 O GLN A 75 -14.822 6.111 5.599 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.990 8.801 7.456 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.658 7.684 8.432 1.00 0.00 C ATOM 1179 CD GLN A 75 -14.961 8.057 9.870 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -14.568 9.124 10.343 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.663 7.177 10.574 1.00 0.00 N ATOM 0 H GLN A 75 -15.058 10.489 5.618 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.567 8.288 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.456 9.703 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.055 9.025 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.225 6.792 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.602 7.429 8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.968 6.305 10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.897 7.373 11.547 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.629 7.376 5.153 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.443 6.251 4.708 1.00 0.00 C ATOM 1192 C PHE A 76 -16.800 5.553 3.513 1.00 0.00 C ATOM 1193 O PHE A 76 -16.627 4.333 3.511 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.850 6.726 4.339 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.906 5.675 4.530 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -20.484 5.472 5.773 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.323 4.892 3.465 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -21.456 4.506 5.950 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -21.295 3.924 3.637 1.00 0.00 C ATOM 1200 CZ PHE A 76 -21.863 3.732 4.881 1.00 0.00 C ATOM 0 H PHE A 76 -17.102 8.279 5.118 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.512 5.538 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -19.101 7.597 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -18.854 7.049 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -20.171 6.075 6.612 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.884 5.040 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -21.897 4.356 6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -21.610 3.319 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 76 -22.624 2.978 5.018 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.448 6.335 2.499 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.824 5.793 1.296 1.00 0.00 C ATOM 1212 C LEU A 77 -14.392 5.348 1.579 1.00 0.00 C ATOM 1213 O LEU A 77 -14.049 4.179 1.401 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.834 6.837 0.178 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.199 7.429 -0.175 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -17.087 8.347 -1.382 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.209 6.321 -0.437 1.00 0.00 C ATOM 0 H LEU A 77 -16.584 7.346 2.485 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.399 4.924 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.169 7.652 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.414 6.383 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.548 8.019 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.068 8.759 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.397 9.160 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.716 7.781 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.175 6.761 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.865 5.704 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.311 5.703 0.455 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.563 6.286 2.021 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.169 5.991 2.330 1.00 0.00 C ATOM 1231 C CYS A 78 -12.039 4.634 3.014 1.00 0.00 C ATOM 1232 O CYS A 78 -11.240 3.792 2.601 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.579 7.084 3.223 1.00 0.00 C ATOM 1234 SG CYS A 78 -9.772 7.100 3.275 1.00 0.00 S ATOM 0 H CYS A 78 -13.832 7.258 2.174 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.614 5.960 1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -11.930 8.054 2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -11.960 6.955 4.236 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.375 7.457 4.460 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.828 4.428 4.062 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.801 3.173 4.806 1.00 0.00 C ATOM 1242 C LEU A 79 -13.184 2.000 3.908 1.00 0.00 C ATOM 1243 O LEU A 79 -12.516 0.966 3.901 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.751 3.246 6.002 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.163 3.817 7.293 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.237 3.937 8.362 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -12.013 2.949 7.784 1.00 0.00 C ATOM 0 H LEU A 79 -13.495 5.114 4.416 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.785 3.014 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.612 3.852 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.121 2.242 6.208 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.776 4.814 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.799 4.345 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.028 4.600 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.655 2.952 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.606 3.370 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.376 1.939 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.232 2.915 7.024 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.263 2.169 3.151 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.734 1.127 2.247 1.00 0.00 C ATOM 1261 C LYS A 80 -13.650 0.746 1.244 1.00 0.00 C ATOM 1262 O LYS A 80 -13.267 -0.419 1.143 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.988 1.595 1.505 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.696 0.486 0.747 1.00 0.00 C ATOM 1265 CD LYS A 80 -15.851 -0.030 -0.405 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.712 -0.662 -1.488 1.00 0.00 C ATOM 1267 NZ LYS A 80 -17.215 -2.005 -1.084 1.00 0.00 N ATOM 0 H LYS A 80 -14.828 3.018 3.146 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.979 0.248 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.682 2.034 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.712 2.384 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.923 -0.334 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.647 0.856 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.274 0.791 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.136 -0.764 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.557 -0.009 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.132 -0.753 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.797 -2.402 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.409 -2.636 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.790 -1.915 -0.222 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.157 1.736 0.507 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.116 1.503 -0.487 1.00 0.00 C ATOM 1283 C ASN A 81 -11.023 0.597 0.072 1.00 0.00 C ATOM 1284 O ASN A 81 -10.817 -0.516 -0.414 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.509 2.833 -0.941 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.497 3.686 -1.712 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.688 3.380 -1.767 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -12.005 4.764 -2.312 1.00 0.00 N ATOM 0 H ASN A 81 -13.462 2.707 0.579 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.571 1.007 -1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.159 3.386 -0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.637 2.637 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.622 5.377 -2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.011 4.979 -2.239 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.327 1.080 1.095 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.257 0.313 1.720 1.00 0.00 C ATOM 1297 C ILE A 82 -9.611 -1.168 1.790 1.00 0.00 C ATOM 1298 O ILE A 82 -8.882 -2.016 1.275 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.954 0.825 3.141 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.465 2.274 3.092 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.922 -0.066 3.816 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.474 2.961 4.440 1.00 0.00 C ATOM 0 H ILE A 82 -10.485 1.999 1.509 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.371 0.443 1.099 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.873 0.792 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.452 2.294 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.093 2.838 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.718 0.309 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.306 -1.084 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.001 -0.062 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.115 3.984 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.490 2.973 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.823 2.421 5.128 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.735 -1.473 2.429 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.187 -2.852 2.566 1.00 0.00 C ATOM 1316 C ARG A 83 -11.158 -3.570 1.219 1.00 0.00 C ATOM 1317 O ARG A 83 -10.730 -4.720 1.125 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.601 -2.893 3.148 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.645 -2.703 4.655 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.973 -2.113 5.103 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.121 -2.138 6.556 1.00 0.00 N ATOM 1322 CZ ARG A 83 -15.296 -2.113 7.176 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.419 -2.063 6.473 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -15.349 -2.140 8.501 1.00 0.00 N ATOM 0 H ARG A 83 -11.350 -0.783 2.860 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.507 -3.365 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.202 -2.117 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.060 -3.849 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.487 -3.662 5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.831 -2.047 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.051 -1.085 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.790 -2.671 4.646 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.276 -2.177 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.382 -2.044 5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.320 -2.044 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.487 -2.180 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.252 -2.121 8.976 1.00 0.00 H new ATOM 1338 N THR A 84 -11.618 -2.882 0.178 1.00 0.00 N ATOM 1339 CA THR A 84 -11.647 -3.453 -1.162 1.00 0.00 C ATOM 1340 C THR A 84 -10.285 -4.020 -1.548 1.00 0.00 C ATOM 1341 O THR A 84 -10.193 -5.114 -2.106 1.00 0.00 O ATOM 1342 CB THR A 84 -12.069 -2.406 -2.210 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.246 -1.719 -1.770 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.333 -3.063 -3.556 1.00 0.00 C ATOM 0 H THR A 84 -11.975 -1.929 0.238 1.00 0.00 H new ATOM 0 HA THR A 84 -12.382 -4.258 -1.146 1.00 0.00 H new ATOM 0 HB THR A 84 -11.254 -1.692 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.507 -1.054 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.629 -2.304 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.427 -3.560 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.132 -3.797 -3.452 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.230 -3.271 -1.246 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.873 -3.700 -1.562 1.00 0.00 C ATOM 1354 C PHE A 85 -7.512 -4.970 -0.796 1.00 0.00 C ATOM 1355 O PHE A 85 -7.242 -6.013 -1.394 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.874 -2.590 -1.229 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.476 -3.089 -1.003 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.648 -3.381 -2.075 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.988 -3.266 0.282 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.362 -3.841 -1.870 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.702 -3.726 0.493 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.887 -4.013 -0.584 1.00 0.00 C ATOM 0 H PHE A 85 -9.289 -2.364 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.826 -3.914 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.865 -1.864 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.212 -2.064 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.013 -3.247 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.620 -3.042 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.728 -4.066 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.335 -3.861 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.881 -4.371 -0.422 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.509 -4.874 0.528 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.181 -6.015 1.377 1.00 0.00 C ATOM 1374 C LEU A 86 -7.956 -7.256 0.945 1.00 0.00 C ATOM 1375 O LEU A 86 -7.446 -8.375 1.014 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.488 -5.692 2.840 1.00 0.00 C ATOM 1377 CG LEU A 86 -6.833 -4.429 3.401 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.592 -3.930 4.620 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.376 -4.694 3.749 1.00 0.00 C ATOM 0 H LEU A 86 -7.730 -4.019 1.038 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.116 -6.220 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.568 -5.597 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.178 -6.540 3.451 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.868 -3.654 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.111 -3.031 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.620 -3.700 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.590 -4.701 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.926 -3.785 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.319 -5.485 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.838 -5.003 2.853 1.00 0.00 H new ATOM 1391 N THR A 87 -9.190 -7.050 0.496 1.00 0.00 N ATOM 1392 CA THR A 87 -10.035 -8.151 0.051 1.00 0.00 C ATOM 1393 C THR A 87 -9.420 -8.867 -1.146 1.00 0.00 C ATOM 1394 O THR A 87 -9.527 -10.086 -1.274 1.00 0.00 O ATOM 1395 CB THR A 87 -11.445 -7.660 -0.326 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.061 -7.026 0.800 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.312 -8.817 -0.800 1.00 0.00 C ATOM 0 H THR A 87 -9.627 -6.130 0.431 1.00 0.00 H new ATOM 0 HA THR A 87 -10.113 -8.847 0.886 1.00 0.00 H new ATOM 0 HB THR A 87 -11.350 -6.941 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.532 -6.245 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.303 -8.446 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.856 -9.279 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.399 -9.556 -0.004 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.777 -8.101 -2.021 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.143 -8.662 -3.207 1.00 0.00 C ATOM 1407 C ALA A 88 -6.889 -9.448 -2.839 1.00 0.00 C ATOM 1408 O ALA A 88 -6.557 -10.443 -3.484 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.804 -7.558 -4.198 1.00 0.00 C ATOM 0 H ALA A 88 -8.682 -7.090 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.848 -9.350 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.331 -7.992 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.717 -7.042 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.121 -6.848 -3.732 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.196 -8.995 -1.800 1.00 0.00 N ATOM 1416 CA CYS A 89 -4.977 -9.655 -1.347 1.00 0.00 C ATOM 1417 C CYS A 89 -5.255 -11.104 -0.959 1.00 0.00 C ATOM 1418 O CYS A 89 -4.331 -11.901 -0.792 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.375 -8.903 -0.160 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.268 -7.551 -0.626 1.00 0.00 S ATOM 0 H CYS A 89 -6.458 -8.173 -1.255 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.263 -9.649 -2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.184 -8.502 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.826 -9.609 0.463 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.821 -6.414 -0.324 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.533 -11.437 -0.814 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.933 -12.789 -0.442 1.00 0.00 C ATOM 1428 C CYS A 90 -7.710 -13.457 -1.573 1.00 0.00 C ATOM 1429 O CYS A 90 -7.717 -14.681 -1.694 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.783 -12.760 0.829 1.00 0.00 C ATOM 1431 SG CYS A 90 -8.158 -14.396 1.504 1.00 0.00 S ATOM 0 H CYS A 90 -7.309 -10.789 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.030 -13.370 -0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.262 -12.176 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.719 -12.243 0.616 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.159 -15.272 0.543 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.363 -12.643 -2.396 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.144 -13.156 -3.515 1.00 0.00 C ATOM 1439 C GLU A 91 -8.286 -13.267 -4.772 1.00 0.00 C ATOM 1440 O GLU A 91 -8.155 -14.344 -5.355 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.347 -12.249 -3.784 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.297 -12.131 -2.604 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.333 -13.238 -2.577 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.086 -14.296 -3.192 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.390 -13.046 -1.940 1.00 0.00 O ATOM 0 H GLU A 91 -8.367 -11.627 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.500 -14.152 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.989 -11.255 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.896 -12.633 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.724 -12.152 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.802 -11.166 -2.644 1.00 0.00 H new ATOM 1452 N THR A 92 -7.704 -12.146 -5.186 1.00 0.00 N ATOM 1453 CA THR A 92 -6.861 -12.115 -6.374 1.00 0.00 C ATOM 1454 C THR A 92 -5.578 -12.910 -6.158 1.00 0.00 C ATOM 1455 O THR A 92 -5.270 -13.829 -6.918 1.00 0.00 O ATOM 1456 CB THR A 92 -6.496 -10.672 -6.768 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.676 -9.955 -7.150 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.496 -10.659 -7.914 1.00 0.00 C ATOM 0 H THR A 92 -7.801 -11.246 -4.715 1.00 0.00 H new ATOM 0 HA THR A 92 -7.436 -12.569 -7.181 1.00 0.00 H new ATOM 0 HB THR A 92 -6.040 -10.188 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.460 -9.005 -7.261 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.254 -9.629 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.588 -11.179 -7.610 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.929 -11.160 -8.780 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.834 -12.552 -5.117 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.583 -13.233 -4.801 1.00 0.00 C ATOM 1468 C PHE A 93 -3.834 -14.445 -3.909 1.00 0.00 C ATOM 1469 O PHE A 93 -3.635 -15.586 -4.324 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.614 -12.270 -4.112 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.107 -11.182 -5.014 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -2.881 -10.062 -5.273 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.857 -11.278 -5.603 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.417 -9.058 -6.103 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.387 -10.278 -6.432 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.169 -9.167 -6.684 1.00 0.00 C ATOM 0 H PHE A 93 -5.075 -11.795 -4.478 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.139 -13.577 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.112 -11.817 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.766 -12.835 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.858 -9.972 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.242 -12.145 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.030 -8.190 -6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.591 -10.364 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.805 -8.385 -7.334 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.273 -14.188 -2.681 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.543 -15.267 -1.749 1.00 0.00 C ATOM 1488 C GLY A 94 -3.436 -15.444 -0.729 1.00 0.00 C ATOM 1489 O GLY A 94 -2.713 -16.440 -0.755 1.00 0.00 O ATOM 0 H GLY A 94 -4.447 -13.252 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.481 -15.069 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.674 -16.197 -2.303 1.00 0.00 H new ATOM 1493 N MET A 95 -3.301 -14.475 0.170 1.00 0.00 N ATOM 1494 CA MET A 95 -2.272 -14.528 1.202 1.00 0.00 C ATOM 1495 C MET A 95 -2.899 -14.590 2.591 1.00 0.00 C ATOM 1496 O MET A 95 -4.109 -14.421 2.745 1.00 0.00 O ATOM 1497 CB MET A 95 -1.352 -13.310 1.099 1.00 0.00 C ATOM 1498 CG MET A 95 -1.974 -12.032 1.636 1.00 0.00 C ATOM 1499 SD MET A 95 -1.286 -10.551 0.871 1.00 0.00 S ATOM 1500 CE MET A 95 0.094 -10.216 1.963 1.00 0.00 C ATOM 0 H MET A 95 -3.891 -13.644 0.205 1.00 0.00 H new ATOM 0 HA MET A 95 -1.683 -15.432 1.047 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.431 -13.513 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.077 -13.160 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 95 -3.050 -12.057 1.467 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.822 -11.984 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.410 -9.180 1.842 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.210 -10.385 2.996 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.923 -10.879 1.716 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.068 -14.834 3.600 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.542 -14.919 4.976 1.00 0.00 C ATOM 1512 C ARG A 96 -3.204 -13.613 5.405 1.00 0.00 C ATOM 1513 O ARG A 96 -2.565 -12.561 5.437 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.383 -15.249 5.918 1.00 0.00 C ATOM 1515 CG ARG A 96 -0.854 -16.666 5.760 1.00 0.00 C ATOM 1516 CD ARG A 96 0.296 -16.941 6.716 1.00 0.00 C ATOM 1517 NE ARG A 96 0.900 -18.250 6.483 1.00 0.00 N ATOM 1518 CZ ARG A 96 2.060 -18.628 7.010 1.00 0.00 C ATOM 1519 NH1 ARG A 96 2.736 -17.802 7.796 1.00 0.00 N ATOM 1520 NH2 ARG A 96 2.544 -19.836 6.751 1.00 0.00 N ATOM 0 H ARG A 96 -1.064 -14.976 3.490 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.283 -15.717 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.570 -14.545 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.710 -15.105 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.659 -17.378 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.520 -16.819 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.055 -16.166 6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.065 -16.886 7.743 1.00 0.00 H new ATOM 0 HE ARG A 96 0.405 -18.910 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.366 -16.873 7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.626 -18.095 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.026 -20.474 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.434 -20.126 7.155 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.490 -13.688 5.734 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.240 -12.513 6.163 1.00 0.00 C ATOM 1536 C LYS A 97 -4.681 -11.957 7.468 1.00 0.00 C ATOM 1537 O LYS A 97 -4.635 -10.743 7.667 1.00 0.00 O ATOM 1538 CB LYS A 97 -6.719 -12.863 6.337 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.650 -11.676 6.159 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.074 -11.511 4.709 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.306 -12.344 4.391 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.564 -11.637 4.757 1.00 0.00 N ATOM 0 H LYS A 97 -5.034 -14.550 5.712 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.142 -11.749 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.988 -13.636 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.869 -13.286 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.533 -11.808 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.152 -10.768 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.282 -10.460 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.255 -11.806 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.319 -12.581 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.252 -13.291 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.380 -12.238 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.564 -11.433 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.628 -10.745 4.226 1.00 0.00 H new ATOM 1556 N SER A 98 -4.255 -12.852 8.354 1.00 0.00 N ATOM 1557 CA SER A 98 -3.701 -12.450 9.641 1.00 0.00 C ATOM 1558 C SER A 98 -2.517 -11.506 9.452 1.00 0.00 C ATOM 1559 O SER A 98 -2.201 -10.707 10.333 1.00 0.00 O ATOM 1560 CB SER A 98 -3.265 -13.680 10.439 1.00 0.00 C ATOM 1561 OG SER A 98 -3.031 -13.351 11.797 1.00 0.00 O ATOM 0 H SER A 98 -4.283 -13.860 8.204 1.00 0.00 H new ATOM 0 HA SER A 98 -4.478 -11.923 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.034 -14.450 10.376 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.358 -14.098 10.002 1.00 0.00 H new ATOM 0 HG SER A 98 -2.755 -14.155 12.285 1.00 0.00 H new ATOM 1567 N GLU A 99 -1.868 -11.606 8.297 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.718 -10.761 7.992 1.00 0.00 C ATOM 1569 C GLU A 99 -1.166 -9.366 7.565 1.00 0.00 C ATOM 1570 O GLU A 99 -0.527 -8.368 7.900 1.00 0.00 O ATOM 1571 CB GLU A 99 0.131 -11.397 6.889 1.00 0.00 C ATOM 1572 CG GLU A 99 0.764 -12.717 7.293 1.00 0.00 C ATOM 1573 CD GLU A 99 1.579 -12.608 8.567 1.00 0.00 C ATOM 1574 OE1 GLU A 99 2.777 -12.268 8.479 1.00 0.00 O ATOM 1575 OE2 GLU A 99 1.017 -12.863 9.653 1.00 0.00 O ATOM 0 H GLU A 99 -2.118 -12.262 7.557 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.116 -10.669 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.492 -11.557 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.918 -10.700 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.018 -13.464 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.405 -13.070 6.485 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.266 -9.306 6.823 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.800 -8.034 6.349 1.00 0.00 C ATOM 1584 C LEU A 100 -2.973 -7.052 7.503 1.00 0.00 C ATOM 1585 O LEU A 100 -3.026 -7.449 8.667 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.140 -8.252 5.644 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.137 -9.257 4.492 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.529 -9.391 3.896 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.135 -8.841 3.424 1.00 0.00 C ATOM 0 H LEU A 100 -2.805 -10.123 6.537 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.088 -7.611 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.868 -8.582 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.487 -7.292 5.261 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.838 -10.229 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.507 -10.111 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.222 -9.736 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.858 -8.423 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.146 -9.568 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.404 -7.859 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.136 -8.798 3.859 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.063 -5.768 7.172 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.232 -4.728 8.181 1.00 0.00 C ATOM 1603 C PHE A 101 -4.711 -4.443 8.426 1.00 0.00 C ATOM 1604 O PHE A 101 -5.581 -5.032 7.785 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.519 -3.446 7.747 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.980 -2.926 6.415 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -2.363 -3.337 5.245 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -4.029 -2.025 6.334 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -2.784 -2.859 4.018 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -4.455 -1.543 5.110 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.832 -1.962 3.951 1.00 0.00 C ATOM 0 H PHE A 101 -3.022 -5.423 6.213 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.790 -5.084 9.111 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.678 -2.677 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.446 -3.633 7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.544 -4.039 5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.520 -1.695 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.294 -3.187 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.273 -0.840 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.164 -1.589 2.993 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.986 -3.536 9.358 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.360 -3.174 9.688 1.00 0.00 C ATOM 1623 C GLU A 102 -6.753 -1.861 9.017 1.00 0.00 C ATOM 1624 O GLU A 102 -6.130 -0.825 9.243 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.528 -3.055 11.204 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.491 -4.390 11.928 1.00 0.00 C ATOM 1627 CD GLU A 102 -7.818 -5.121 11.873 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -8.737 -4.739 12.628 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -7.939 -6.074 11.075 1.00 0.00 O ATOM 0 H GLU A 102 -4.277 -3.039 9.897 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.016 -3.962 9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.739 -2.415 11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.476 -2.561 11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.717 -5.017 11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.213 -4.227 12.969 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.791 -1.915 8.189 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.269 -0.731 7.485 1.00 0.00 C ATOM 1638 C ALA A 103 -8.111 0.519 8.344 1.00 0.00 C ATOM 1639 O ALA A 103 -7.681 1.566 7.860 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.723 -0.912 7.075 1.00 0.00 C ATOM 0 H ALA A 103 -8.317 -2.766 7.989 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.663 -0.602 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.067 -0.021 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.811 -1.777 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.335 -1.069 7.963 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.463 0.403 9.620 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.362 1.525 10.546 1.00 0.00 C ATOM 1648 C PHE A 104 -6.918 2.001 10.667 1.00 0.00 C ATOM 1649 O PHE A 104 -6.605 3.153 10.363 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.896 1.126 11.923 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.212 2.300 12.806 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.174 3.225 12.433 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.547 2.478 14.008 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.467 4.306 13.243 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.837 3.557 14.823 1.00 0.00 C ATOM 1656 CZ PHE A 104 -9.797 4.472 14.439 1.00 0.00 C ATOM 0 H PHE A 104 -8.821 -0.457 10.036 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.965 2.344 10.153 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.796 0.525 11.795 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.160 0.495 12.421 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.701 3.100 11.499 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.794 1.766 14.312 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.219 5.020 12.941 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.313 3.684 15.759 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.024 5.316 15.073 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.042 1.108 11.113 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.630 1.436 11.274 1.00 0.00 C ATOM 1668 C ASP A 105 -4.157 2.365 10.160 1.00 0.00 C ATOM 1669 O ASP A 105 -3.361 3.276 10.393 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.786 0.161 11.284 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.754 -0.502 12.648 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -3.740 0.227 13.662 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -3.743 -1.749 12.700 1.00 0.00 O ATOM 0 H ASP A 105 -6.284 0.151 11.370 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.509 1.950 12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.185 -0.541 10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.768 0.400 10.975 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.651 2.128 8.950 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.278 2.943 7.799 1.00 0.00 C ATOM 1680 C LEU A 106 -4.972 4.300 7.845 1.00 0.00 C ATOM 1681 O LEU A 106 -4.318 5.343 7.875 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.636 2.219 6.500 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.226 2.921 5.205 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.712 3.028 5.112 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.786 2.184 3.998 1.00 0.00 C ATOM 0 H LEU A 106 -5.310 1.379 8.740 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.201 3.105 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.172 1.233 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.715 2.064 6.480 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.641 3.929 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.439 3.530 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.335 3.601 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.275 2.029 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.484 2.698 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.402 1.164 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.874 2.161 4.058 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.301 4.280 7.853 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.084 5.509 7.897 1.00 0.00 C ATOM 1699 C PHE A 107 -6.556 6.453 8.973 1.00 0.00 C ATOM 1700 O PHE A 107 -6.140 7.574 8.681 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.558 5.191 8.160 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.466 6.375 7.990 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.384 7.170 6.858 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.403 6.692 8.960 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.219 8.260 6.699 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.240 7.780 8.806 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.149 8.565 7.673 1.00 0.00 C ATOM 0 H PHE A 107 -6.858 3.426 7.830 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.993 6.003 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.877 4.398 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.663 4.805 9.174 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.660 6.935 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.480 6.081 9.847 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.144 8.873 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.965 8.017 9.571 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.804 9.415 7.549 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.575 5.990 10.218 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.097 6.791 11.339 1.00 0.00 C ATOM 1719 C ASP A 108 -4.574 6.865 11.344 1.00 0.00 C ATOM 1720 O ASP A 108 -3.978 7.552 12.174 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.596 6.206 12.661 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.700 7.251 13.755 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.487 8.206 13.589 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -5.993 7.114 14.776 1.00 0.00 O ATOM 0 H ASP A 108 -6.916 5.064 10.476 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.491 7.801 11.226 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.573 5.748 12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.920 5.414 12.983 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.949 6.152 10.413 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.494 6.136 10.310 1.00 0.00 C ATOM 1731 C VAL A 109 -1.853 5.771 11.643 1.00 0.00 C ATOM 1732 O VAL A 109 -0.792 6.287 11.995 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.950 7.501 9.847 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.642 7.325 9.090 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.979 8.221 8.989 1.00 0.00 C ATOM 0 H VAL A 109 -4.427 5.578 9.719 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.237 5.380 9.568 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.753 8.112 10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.272 8.299 8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.094 6.853 9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.809 6.696 8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.578 9.183 8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.209 7.616 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.888 8.381 9.568 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.503 4.878 12.382 1.00 0.00 N ATOM 1746 CA ARG A 110 -1.996 4.444 13.678 1.00 0.00 C ATOM 1747 C ARG A 110 -0.611 3.820 13.539 1.00 0.00 C ATOM 1748 O ARG A 110 0.378 4.361 14.034 1.00 0.00 O ATOM 1749 CB ARG A 110 -2.958 3.440 14.316 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.374 3.969 14.473 1.00 0.00 C ATOM 1751 CD ARG A 110 -5.080 3.327 15.657 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.804 4.031 16.907 1.00 0.00 N ATOM 1753 CZ ARG A 110 -5.198 3.595 18.098 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -5.881 2.464 18.202 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.908 4.292 19.190 1.00 0.00 N ATOM 0 H ARG A 110 -3.382 4.441 12.105 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.918 5.321 14.321 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.982 2.536 13.708 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.575 3.155 15.296 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.347 5.050 14.607 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.939 3.775 13.562 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.155 3.317 15.476 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.763 2.288 15.748 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.280 4.905 16.863 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.106 1.925 17.366 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.182 2.132 19.118 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.382 5.163 19.115 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.211 3.957 20.104 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.548 2.678 12.862 1.00 0.00 N ATOM 1770 CA ASP A 111 0.716 1.980 12.657 1.00 0.00 C ATOM 1771 C ASP A 111 0.929 1.664 11.180 1.00 0.00 C ATOM 1772 O ASP A 111 0.431 0.659 10.671 1.00 0.00 O ATOM 1773 CB ASP A 111 0.749 0.689 13.477 1.00 0.00 C ATOM 1774 CG ASP A 111 1.275 0.909 14.882 1.00 0.00 C ATOM 1775 OD1 ASP A 111 0.723 1.775 15.593 1.00 0.00 O ATOM 1776 OD2 ASP A 111 2.239 0.216 15.271 1.00 0.00 O ATOM 0 H ASP A 111 -1.357 2.217 12.446 1.00 0.00 H new ATOM 0 HA ASP A 111 1.522 2.634 12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.256 0.270 13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.374 -0.045 12.969 1.00 0.00 H new ATOM 1781 N PHE A 112 1.671 2.529 10.496 1.00 0.00 N ATOM 1782 CA PHE A 112 1.948 2.344 9.077 1.00 0.00 C ATOM 1783 C PHE A 112 2.848 1.133 8.852 1.00 0.00 C ATOM 1784 O PHE A 112 2.735 0.440 7.842 1.00 0.00 O ATOM 1785 CB PHE A 112 2.605 3.597 8.496 1.00 0.00 C ATOM 1786 CG PHE A 112 2.755 3.558 7.002 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.640 3.500 6.182 1.00 0.00 C ATOM 1788 CD2 PHE A 112 4.011 3.580 6.417 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.775 3.463 4.807 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.153 3.544 5.043 1.00 0.00 C ATOM 1791 CZ PHE A 112 3.033 3.486 4.237 1.00 0.00 C ATOM 0 H PHE A 112 2.091 3.365 10.902 1.00 0.00 H new ATOM 0 HA PHE A 112 1.000 2.170 8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.012 4.469 8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.588 3.725 8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.654 3.484 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.890 3.626 7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.898 3.416 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.138 3.561 4.600 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.141 3.459 3.163 1.00 0.00 H new ATOM 1801 N GLY A 113 3.744 0.884 9.802 1.00 0.00 N ATOM 1802 CA GLY A 113 4.652 -0.242 9.689 1.00 0.00 C ATOM 1803 C GLY A 113 3.931 -1.540 9.386 1.00 0.00 C ATOM 1804 O GLY A 113 4.470 -2.416 8.709 1.00 0.00 O ATOM 0 H GLY A 113 3.857 1.442 10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.379 -0.041 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.211 -0.349 10.619 1.00 0.00 H new ATOM 1808 N LYS A 114 2.708 -1.667 9.889 1.00 0.00 N ATOM 1809 CA LYS A 114 1.910 -2.868 9.669 1.00 0.00 C ATOM 1810 C LYS A 114 1.517 -2.998 8.201 1.00 0.00 C ATOM 1811 O LYS A 114 1.530 -4.094 7.640 1.00 0.00 O ATOM 1812 CB LYS A 114 0.654 -2.838 10.544 1.00 0.00 C ATOM 1813 CG LYS A 114 0.915 -3.199 11.996 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.355 -3.126 12.825 1.00 0.00 C ATOM 1815 CE LYS A 114 -1.123 -4.439 12.787 1.00 0.00 C ATOM 1816 NZ LYS A 114 -2.153 -4.511 13.859 1.00 0.00 N ATOM 0 H LYS A 114 2.247 -0.952 10.452 1.00 0.00 H new ATOM 0 HA LYS A 114 2.515 -3.732 9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.214 -1.842 10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.081 -3.530 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.330 -4.205 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.661 -2.522 12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.103 -2.880 13.857 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.989 -2.322 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.603 -4.551 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.426 -5.270 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.654 -5.421 13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.693 -4.430 14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.833 -3.733 13.740 1.00 0.00 H new ATOM 1830 N VAL A 115 1.170 -1.874 7.584 1.00 0.00 N ATOM 1831 CA VAL A 115 0.776 -1.862 6.180 1.00 0.00 C ATOM 1832 C VAL A 115 1.963 -2.169 5.274 1.00 0.00 C ATOM 1833 O VAL A 115 1.836 -2.908 4.297 1.00 0.00 O ATOM 1834 CB VAL A 115 0.174 -0.503 5.777 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.249 -0.519 4.316 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -1.002 -0.154 6.677 1.00 0.00 C ATOM 0 H VAL A 115 1.154 -0.959 8.034 1.00 0.00 H new ATOM 0 HA VAL A 115 0.019 -2.636 6.057 1.00 0.00 H new ATOM 0 HB VAL A 115 0.938 0.265 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.672 0.449 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.619 -0.721 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.997 -1.297 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.415 0.809 6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.770 -0.922 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.664 -0.099 7.712 1.00 0.00 H new ATOM 1846 N ILE A 116 3.116 -1.597 5.604 1.00 0.00 N ATOM 1847 CA ILE A 116 4.326 -1.811 4.821 1.00 0.00 C ATOM 1848 C ILE A 116 4.671 -3.294 4.736 1.00 0.00 C ATOM 1849 O ILE A 116 4.929 -3.819 3.654 1.00 0.00 O ATOM 1850 CB ILE A 116 5.525 -1.049 5.417 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.186 0.434 5.577 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.754 -1.226 4.539 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.331 1.261 6.119 1.00 0.00 C ATOM 0 H ILE A 116 3.237 -0.982 6.408 1.00 0.00 H new ATOM 0 HA ILE A 116 4.125 -1.429 3.820 1.00 0.00 H new ATOM 0 HB ILE A 116 5.745 -1.460 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.884 0.836 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.330 0.533 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.593 -0.682 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.004 -2.285 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.547 -0.838 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.019 2.302 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.618 0.885 7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.182 1.193 5.441 1.00 0.00 H new ATOM 1865 N GLU A 117 4.672 -3.962 5.885 1.00 0.00 N ATOM 1866 CA GLU A 117 4.985 -5.385 5.940 1.00 0.00 C ATOM 1867 C GLU A 117 4.146 -6.166 4.932 1.00 0.00 C ATOM 1868 O GLU A 117 4.674 -6.947 4.140 1.00 0.00 O ATOM 1869 CB GLU A 117 4.744 -5.929 7.350 1.00 0.00 C ATOM 1870 CG GLU A 117 5.253 -7.347 7.550 1.00 0.00 C ATOM 1871 CD GLU A 117 4.770 -7.961 8.850 1.00 0.00 C ATOM 1872 OE1 GLU A 117 4.652 -7.220 9.848 1.00 0.00 O ATOM 1873 OE2 GLU A 117 4.511 -9.183 8.868 1.00 0.00 O ATOM 0 H GLU A 117 4.460 -3.541 6.790 1.00 0.00 H new ATOM 0 HA GLU A 117 6.037 -5.509 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.230 -5.272 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.675 -5.902 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.926 -7.968 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.343 -7.343 7.537 1.00 0.00 H new ATOM 1880 N THR A 118 2.835 -5.948 4.967 1.00 0.00 N ATOM 1881 CA THR A 118 1.923 -6.631 4.059 1.00 0.00 C ATOM 1882 C THR A 118 2.508 -6.719 2.654 1.00 0.00 C ATOM 1883 O THR A 118 2.512 -7.786 2.038 1.00 0.00 O ATOM 1884 CB THR A 118 0.559 -5.918 3.991 1.00 0.00 C ATOM 1885 OG1 THR A 118 -0.034 -5.869 5.293 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.378 -6.632 3.028 1.00 0.00 C ATOM 0 H THR A 118 2.381 -5.304 5.615 1.00 0.00 H new ATOM 0 HA THR A 118 1.780 -7.637 4.453 1.00 0.00 H new ATOM 0 HB THR A 118 0.723 -4.903 3.628 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.247 -5.049 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.334 -6.110 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.063 -6.641 2.031 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.534 -7.657 3.365 1.00 0.00 H new ATOM 1894 N LEU A 119 3.002 -5.593 2.153 1.00 0.00 N ATOM 1895 CA LEU A 119 3.592 -5.543 0.820 1.00 0.00 C ATOM 1896 C LEU A 119 4.816 -6.449 0.731 1.00 0.00 C ATOM 1897 O LEU A 119 4.977 -7.199 -0.232 1.00 0.00 O ATOM 1898 CB LEU A 119 3.980 -4.106 0.466 1.00 0.00 C ATOM 1899 CG LEU A 119 2.909 -3.042 0.707 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.480 -1.650 0.488 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.710 -3.278 -0.201 1.00 0.00 C ATOM 0 H LEU A 119 3.006 -4.702 2.650 1.00 0.00 H new ATOM 0 HA LEU A 119 2.848 -5.898 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.866 -3.838 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.263 -4.076 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 119 2.576 -3.116 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.703 -0.906 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.306 -1.483 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.841 -1.562 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.957 -2.512 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.028 -3.231 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.285 -4.261 0.005 1.00 0.00 H new ATOM 1913 N SER A 120 5.675 -6.376 1.743 1.00 0.00 N ATOM 1914 CA SER A 120 6.885 -7.188 1.778 1.00 0.00 C ATOM 1915 C SER A 120 6.580 -8.634 1.397 1.00 0.00 C ATOM 1916 O SER A 120 7.378 -9.293 0.731 1.00 0.00 O ATOM 1917 CB SER A 120 7.517 -7.138 3.170 1.00 0.00 C ATOM 1918 OG SER A 120 8.718 -7.890 3.212 1.00 0.00 O ATOM 0 H SER A 120 5.555 -5.763 2.549 1.00 0.00 H new ATOM 0 HA SER A 120 7.588 -6.780 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.723 -6.103 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.814 -7.528 3.906 1.00 0.00 H new ATOM 0 HG SER A 120 9.389 -7.468 2.635 1.00 0.00 H new ATOM 1924 N ARG A 121 5.420 -9.120 1.826 1.00 0.00 N ATOM 1925 CA ARG A 121 5.009 -10.487 1.531 1.00 0.00 C ATOM 1926 C ARG A 121 4.375 -10.578 0.146 1.00 0.00 C ATOM 1927 O ARG A 121 4.790 -11.386 -0.686 1.00 0.00 O ATOM 1928 CB ARG A 121 4.022 -10.985 2.589 1.00 0.00 C ATOM 1929 CG ARG A 121 4.629 -11.112 3.976 1.00 0.00 C ATOM 1930 CD ARG A 121 3.728 -11.907 4.908 1.00 0.00 C ATOM 1931 NE ARG A 121 4.002 -13.340 4.844 1.00 0.00 N ATOM 1932 CZ ARG A 121 5.070 -13.909 5.391 1.00 0.00 C ATOM 1933 NH1 ARG A 121 5.959 -13.171 6.041 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.249 -15.220 5.290 1.00 0.00 N ATOM 0 H ARG A 121 4.748 -8.587 2.379 1.00 0.00 H new ATOM 0 HA ARG A 121 5.898 -11.118 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.175 -10.301 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.632 -11.956 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.602 -11.599 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.799 -10.119 4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.866 -11.557 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.686 -11.725 4.647 1.00 0.00 H new ATOM 0 HE ARG A 121 3.337 -13.937 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.824 -12.163 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.778 -13.611 6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.566 -15.791 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.069 -15.657 5.710 1.00 0.00 H new ATOM 1948 N LEU A 122 3.369 -9.745 -0.094 1.00 0.00 N ATOM 1949 CA LEU A 122 2.677 -9.731 -1.379 1.00 0.00 C ATOM 1950 C LEU A 122 3.665 -9.879 -2.531 1.00 0.00 C ATOM 1951 O LEU A 122 3.411 -10.607 -3.490 1.00 0.00 O ATOM 1952 CB LEU A 122 1.881 -8.435 -1.537 1.00 0.00 C ATOM 1953 CG LEU A 122 1.392 -8.116 -2.951 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.332 -9.115 -3.387 1.00 0.00 C ATOM 1955 CD2 LEU A 122 0.850 -6.696 -3.020 1.00 0.00 C ATOM 0 H LEU A 122 3.014 -9.070 0.584 1.00 0.00 H new ATOM 0 HA LEU A 122 1.990 -10.577 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.015 -8.481 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.501 -7.607 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 122 2.238 -8.194 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.004 -8.872 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.753 -10.120 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.514 -9.070 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.507 -6.486 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.017 -6.590 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.638 -5.992 -2.751 1.00 0.00 H new ATOM 1967 N SER A 123 4.794 -9.184 -2.429 1.00 0.00 N ATOM 1968 CA SER A 123 5.820 -9.236 -3.464 1.00 0.00 C ATOM 1969 C SER A 123 6.154 -10.680 -3.825 1.00 0.00 C ATOM 1970 O SER A 123 6.226 -11.036 -5.001 1.00 0.00 O ATOM 1971 CB SER A 123 7.083 -8.510 -2.996 1.00 0.00 C ATOM 1972 OG SER A 123 7.680 -9.180 -1.899 1.00 0.00 O ATOM 0 H SER A 123 5.021 -8.578 -1.640 1.00 0.00 H new ATOM 0 HA SER A 123 5.431 -8.738 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.795 -8.446 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.834 -7.488 -2.710 1.00 0.00 H new ATOM 0 HG SER A 123 7.223 -8.924 -1.071 1.00 0.00 H new ATOM 1978 N ARG A 124 6.358 -11.507 -2.804 1.00 0.00 N ATOM 1979 CA ARG A 124 6.686 -12.912 -3.013 1.00 0.00 C ATOM 1980 C ARG A 124 5.806 -13.520 -4.101 1.00 0.00 C ATOM 1981 O ARG A 124 6.239 -14.398 -4.847 1.00 0.00 O ATOM 1982 CB ARG A 124 6.519 -13.695 -1.710 1.00 0.00 C ATOM 1983 CG ARG A 124 7.506 -13.293 -0.627 1.00 0.00 C ATOM 1984 CD ARG A 124 8.787 -14.109 -0.709 1.00 0.00 C ATOM 1985 NE ARG A 124 9.691 -13.822 0.401 1.00 0.00 N ATOM 1986 CZ ARG A 124 10.640 -14.657 0.810 1.00 0.00 C ATOM 1987 NH1 ARG A 124 10.808 -15.823 0.203 1.00 0.00 N ATOM 1988 NH2 ARG A 124 11.423 -14.325 1.829 1.00 0.00 N ATOM 0 H ARG A 124 6.302 -11.228 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 124 7.726 -12.973 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.505 -13.551 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.634 -14.759 -1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.742 -12.233 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.048 -13.430 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.541 -15.171 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.292 -13.897 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 124 9.588 -12.932 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 124 10.208 -16.081 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.537 -16.462 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.296 -13.428 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 124 12.151 -14.966 2.143 1.00 0.00 H new ATOM 2002 N THR A 125 4.566 -13.046 -4.186 1.00 0.00 N ATOM 2003 CA THR A 125 3.624 -13.543 -5.181 1.00 0.00 C ATOM 2004 C THR A 125 4.279 -13.650 -6.553 1.00 0.00 C ATOM 2005 O THR A 125 5.155 -12.864 -6.912 1.00 0.00 O ATOM 2006 CB THR A 125 2.385 -12.634 -5.285 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.770 -11.332 -5.741 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.683 -12.520 -3.941 1.00 0.00 C ATOM 0 H THR A 125 4.191 -12.318 -3.577 1.00 0.00 H new ATOM 0 HA THR A 125 3.311 -14.534 -4.853 1.00 0.00 H new ATOM 0 HB THR A 125 1.694 -13.079 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.087 -10.800 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.811 -11.873 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.365 -13.509 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.368 -12.096 -3.207 1.00 0.00 H new ATOM 2016 N PRO A 126 3.846 -14.646 -7.340 1.00 0.00 N ATOM 2017 CA PRO A 126 4.377 -14.878 -8.687 1.00 0.00 C ATOM 2018 C PRO A 126 3.961 -13.789 -9.670 1.00 0.00 C ATOM 2019 O PRO A 126 4.363 -13.804 -10.834 1.00 0.00 O ATOM 2020 CB PRO A 126 3.759 -16.221 -9.085 1.00 0.00 C ATOM 2021 CG PRO A 126 2.512 -16.319 -8.277 1.00 0.00 C ATOM 2022 CD PRO A 126 2.805 -15.622 -6.977 1.00 0.00 C ATOM 0 HA PRO A 126 5.467 -14.873 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.543 -16.256 -10.153 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.436 -17.048 -8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.675 -15.848 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.237 -17.360 -8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 126 1.918 -15.133 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.156 -16.320 -6.217 1.00 0.00 H new ATOM 2030 N ILE A 127 3.156 -12.845 -9.194 1.00 0.00 N ATOM 2031 CA ILE A 127 2.688 -11.748 -10.031 1.00 0.00 C ATOM 2032 C ILE A 127 3.579 -10.520 -9.876 1.00 0.00 C ATOM 2033 O ILE A 127 3.829 -9.796 -10.839 1.00 0.00 O ATOM 2034 CB ILE A 127 1.236 -11.361 -9.693 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.299 -12.543 -9.944 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.805 -10.153 -10.511 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.104 -13.428 -8.732 1.00 0.00 C ATOM 0 H ILE A 127 2.815 -12.818 -8.233 1.00 0.00 H new ATOM 0 HA ILE A 127 2.731 -12.098 -11.062 1.00 0.00 H new ATOM 0 HB ILE A 127 1.183 -11.097 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.671 -12.165 -10.268 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.696 -13.144 -10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.223 -9.892 -10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.458 -9.310 -10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.871 -10.390 -11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.572 -14.245 -8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.066 -13.835 -8.420 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.322 -12.842 -7.918 1.00 0.00 H new ATOM 2049 N ALA A 128 4.056 -10.292 -8.657 1.00 0.00 N ATOM 2050 CA ALA A 128 4.923 -9.154 -8.376 1.00 0.00 C ATOM 2051 C ALA A 128 6.327 -9.384 -8.925 1.00 0.00 C ATOM 2052 O ALA A 128 6.951 -8.470 -9.466 1.00 0.00 O ATOM 2053 CB ALA A 128 4.976 -8.888 -6.879 1.00 0.00 C ATOM 0 H ALA A 128 3.857 -10.880 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 128 4.506 -8.279 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.627 -8.036 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.973 -8.670 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.366 -9.767 -6.367 1.00 0.00 H new ATOM 2059 N LEU A 129 6.819 -10.610 -8.782 1.00 0.00 N ATOM 2060 CA LEU A 129 8.151 -10.961 -9.263 1.00 0.00 C ATOM 2061 C LEU A 129 8.177 -11.035 -10.787 1.00 0.00 C ATOM 2062 O LEU A 129 9.133 -10.591 -11.423 1.00 0.00 O ATOM 2063 CB LEU A 129 8.593 -12.299 -8.669 1.00 0.00 C ATOM 2064 CG LEU A 129 8.492 -12.424 -7.148 1.00 0.00 C ATOM 2065 CD1 LEU A 129 8.839 -13.836 -6.704 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.402 -11.411 -6.468 1.00 0.00 C ATOM 0 H LEU A 129 6.316 -11.377 -8.337 1.00 0.00 H new ATOM 0 HA LEU A 129 8.843 -10.182 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.993 -13.090 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.628 -12.479 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 129 7.464 -12.215 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.762 -13.906 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.147 -14.542 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.857 -14.074 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.317 -11.514 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.434 -11.589 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.107 -10.403 -6.760 1.00 0.00 H new ATOM 2078 N ALA A 130 7.121 -11.596 -11.365 1.00 0.00 N ATOM 2079 CA ALA A 130 7.021 -11.724 -12.814 1.00 0.00 C ATOM 2080 C ALA A 130 7.535 -10.469 -13.512 1.00 0.00 C ATOM 2081 O ALA A 130 8.365 -10.546 -14.419 1.00 0.00 O ATOM 2082 CB ALA A 130 5.582 -12.004 -13.221 1.00 0.00 C ATOM 0 H ALA A 130 6.322 -11.969 -10.852 1.00 0.00 H new ATOM 0 HA ALA A 130 7.645 -12.563 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.522 -12.097 -14.305 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.247 -12.932 -12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.945 -11.184 -12.892 1.00 0.00 H new ATOM 2088 N THR A 131 7.037 -9.313 -13.085 1.00 0.00 N ATOM 2089 CA THR A 131 7.445 -8.042 -13.671 1.00 0.00 C ATOM 2090 C THR A 131 8.954 -7.851 -13.575 1.00 0.00 C ATOM 2091 O THR A 131 9.570 -7.246 -14.451 1.00 0.00 O ATOM 2092 CB THR A 131 6.744 -6.856 -12.982 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.220 -6.718 -11.639 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.235 -7.050 -12.973 1.00 0.00 C ATOM 0 H THR A 131 6.350 -9.231 -12.335 1.00 0.00 H new ATOM 0 HA THR A 131 7.151 -8.069 -14.720 1.00 0.00 H new ATOM 0 HB THR A 131 6.975 -5.951 -13.543 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.960 -7.506 -11.117 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.762 -6.200 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.872 -7.125 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 131 4.989 -7.964 -12.433 1.00 0.00 H new ATOM 2102 N GLY A 132 9.545 -8.373 -12.504 1.00 0.00 N ATOM 2103 CA GLY A 132 10.978 -8.249 -12.314 1.00 0.00 C ATOM 2104 C GLY A 132 11.354 -7.012 -11.522 1.00 0.00 C ATOM 2105 O GLY A 132 12.475 -6.515 -11.630 1.00 0.00 O ATOM 0 H GLY A 132 9.057 -8.879 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.351 -9.134 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.469 -8.217 -13.287 1.00 0.00 H new ATOM 2109 N ILE A 133 10.414 -6.513 -10.726 1.00 0.00 N ATOM 2110 CA ILE A 133 10.653 -5.326 -9.915 1.00 0.00 C ATOM 2111 C ILE A 133 11.434 -5.672 -8.651 1.00 0.00 C ATOM 2112 O ILE A 133 11.204 -6.711 -8.032 1.00 0.00 O ATOM 2113 CB ILE A 133 9.332 -4.642 -9.517 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.566 -4.197 -10.765 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.604 -3.454 -8.606 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.096 -3.944 -10.514 1.00 0.00 C ATOM 0 H ILE A 133 9.481 -6.912 -10.626 1.00 0.00 H new ATOM 0 HA ILE A 133 11.240 -4.639 -10.525 1.00 0.00 H new ATOM 0 HB ILE A 133 8.718 -5.360 -8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.021 -3.287 -11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.668 -4.961 -11.536 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.661 -2.981 -8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.112 -3.796 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.234 -2.733 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.617 -3.632 -11.442 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.626 -4.859 -10.152 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.984 -3.159 -9.766 1.00 0.00 H new ATOM 2128 N ARG A 134 12.356 -4.793 -8.274 1.00 0.00 N ATOM 2129 CA ARG A 134 13.171 -5.005 -7.083 1.00 0.00 C ATOM 2130 C ARG A 134 12.357 -5.675 -5.980 1.00 0.00 C ATOM 2131 O ARG A 134 11.605 -5.029 -5.250 1.00 0.00 O ATOM 2132 CB ARG A 134 13.733 -3.674 -6.581 1.00 0.00 C ATOM 2133 CG ARG A 134 14.794 -3.078 -7.492 1.00 0.00 C ATOM 2134 CD ARG A 134 16.100 -3.853 -7.407 1.00 0.00 C ATOM 2135 NE ARG A 134 16.850 -3.530 -6.196 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.401 -2.343 -5.967 1.00 0.00 C ATOM 2137 NH1 ARG A 134 17.286 -1.372 -6.862 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.068 -2.126 -4.841 1.00 0.00 N ATOM 0 H ARG A 134 12.558 -3.928 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 134 13.998 -5.663 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 134 12.915 -2.961 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.159 -3.820 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.435 -3.080 -8.521 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.968 -2.038 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 134 15.889 -4.922 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 134 16.711 -3.631 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 134 16.957 -4.256 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 134 16.774 -1.535 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 134 17.710 -0.461 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.158 -2.871 -4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 134 18.491 -1.214 -4.666 1.00 0.00 H new ATOM 2152 N PRO A 135 12.509 -7.002 -5.854 1.00 0.00 N ATOM 2153 CA PRO A 135 11.797 -7.788 -4.842 1.00 0.00 C ATOM 2154 C PRO A 135 12.292 -7.499 -3.429 1.00 0.00 C ATOM 2155 O PRO A 135 13.477 -7.243 -3.216 1.00 0.00 O ATOM 2156 CB PRO A 135 12.109 -9.235 -5.233 1.00 0.00 C ATOM 2157 CG PRO A 135 13.401 -9.157 -5.972 1.00 0.00 C ATOM 2158 CD PRO A 135 13.389 -7.836 -6.690 1.00 0.00 C ATOM 0 HA PRO A 135 10.732 -7.558 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.194 -9.873 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.320 -9.655 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.247 -9.221 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.498 -9.983 -6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.390 -7.412 -6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.005 -7.934 -7.705 1.00 0.00 H new ATOM 2166 N PHE A 136 11.377 -7.542 -2.467 1.00 0.00 N ATOM 2167 CA PHE A 136 11.721 -7.284 -1.073 1.00 0.00 C ATOM 2168 C PHE A 136 12.849 -8.203 -0.612 1.00 0.00 C ATOM 2169 O PHE A 136 12.934 -9.367 -1.003 1.00 0.00 O ATOM 2170 CB PHE A 136 10.494 -7.475 -0.179 1.00 0.00 C ATOM 2171 CG PHE A 136 9.662 -6.234 -0.030 1.00 0.00 C ATOM 2172 CD1 PHE A 136 8.695 -5.915 -0.970 1.00 0.00 C ATOM 2173 CD2 PHE A 136 9.846 -5.386 1.050 1.00 0.00 C ATOM 2174 CE1 PHE A 136 7.927 -4.774 -0.836 1.00 0.00 C ATOM 2175 CE2 PHE A 136 9.081 -4.243 1.189 1.00 0.00 C ATOM 2176 CZ PHE A 136 8.121 -3.937 0.245 1.00 0.00 C ATOM 0 H PHE A 136 10.392 -7.753 -2.626 1.00 0.00 H new ATOM 0 HA PHE A 136 12.062 -6.252 -0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 136 9.874 -8.271 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 136 10.821 -7.804 0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 136 8.540 -6.566 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.595 -5.621 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 136 7.176 -4.537 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.234 -3.590 2.035 1.00 0.00 H new ATOM 0 HZ PHE A 136 7.523 -3.044 0.352 1.00 0.00 H new ATOM 2186 N PRO A 137 13.736 -7.668 0.239 1.00 0.00 N ATOM 2187 CA PRO A 137 14.875 -8.422 0.773 1.00 0.00 C ATOM 2188 C PRO A 137 14.444 -9.509 1.751 1.00 0.00 C ATOM 2189 O PRO A 137 13.337 -9.470 2.288 1.00 0.00 O ATOM 2190 CB PRO A 137 15.703 -7.353 1.491 1.00 0.00 C ATOM 2191 CG PRO A 137 14.721 -6.291 1.848 1.00 0.00 C ATOM 2192 CD PRO A 137 13.696 -6.287 0.748 1.00 0.00 C ATOM 0 HA PRO A 137 15.420 -8.947 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 137 16.188 -7.758 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 137 16.491 -6.963 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 137 14.257 -6.497 2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 137 15.209 -5.320 1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 137 12.706 -6.025 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 137 13.944 -5.565 -0.030 1.00 0.00 H new ATOM 2200 N SER A 138 15.325 -10.477 1.979 1.00 0.00 N ATOM 2201 CA SER A 138 15.033 -11.577 2.890 1.00 0.00 C ATOM 2202 C SER A 138 16.278 -12.426 3.133 1.00 0.00 C ATOM 2203 O SER A 138 17.084 -12.639 2.229 1.00 0.00 O ATOM 2204 CB SER A 138 13.909 -12.450 2.328 1.00 0.00 C ATOM 2205 OG SER A 138 13.302 -13.221 3.351 1.00 0.00 O ATOM 0 H SER A 138 16.247 -10.522 1.545 1.00 0.00 H new ATOM 0 HA SER A 138 14.712 -11.152 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 138 13.159 -11.820 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 138 14.308 -13.111 1.558 1.00 0.00 H new ATOM 0 HG SER A 138 13.657 -14.134 3.327 1.00 0.00 H new ATOM 2211 N GLY A 139 16.427 -12.909 4.363 1.00 0.00 N ATOM 2212 CA GLY A 139 17.575 -13.729 4.704 1.00 0.00 C ATOM 2213 C GLY A 139 17.318 -14.612 5.909 1.00 0.00 C ATOM 2214 O GLY A 139 16.330 -14.451 6.625 1.00 0.00 O ATOM 0 H GLY A 139 15.773 -12.747 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 139 17.839 -14.353 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.431 -13.085 4.905 1.00 0.00 H new ATOM 2218 N PRO A 140 18.224 -15.573 6.146 1.00 0.00 N ATOM 2219 CA PRO A 140 18.112 -16.506 7.272 1.00 0.00 C ATOM 2220 C PRO A 140 18.341 -15.823 8.615 1.00 0.00 C ATOM 2221 O PRO A 140 19.479 -15.667 9.057 1.00 0.00 O ATOM 2222 CB PRO A 140 19.217 -17.528 6.996 1.00 0.00 C ATOM 2223 CG PRO A 140 20.215 -16.794 6.169 1.00 0.00 C ATOM 2224 CD PRO A 140 19.426 -15.823 5.334 1.00 0.00 C ATOM 0 HA PRO A 140 17.116 -16.943 7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.661 -17.891 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 140 18.828 -18.398 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 140 20.935 -16.272 6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 140 20.781 -17.481 5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 140 19.984 -14.905 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.173 -16.243 4.361 1.00 0.00 H new ATOM 2232 N SER A 141 17.252 -15.417 9.261 1.00 0.00 N ATOM 2233 CA SER A 141 17.335 -14.747 10.554 1.00 0.00 C ATOM 2234 C SER A 141 17.242 -15.756 11.695 1.00 0.00 C ATOM 2235 O SER A 141 16.707 -16.851 11.528 1.00 0.00 O ATOM 2236 CB SER A 141 16.221 -13.707 10.685 1.00 0.00 C ATOM 2237 OG SER A 141 16.301 -12.741 9.652 1.00 0.00 O ATOM 0 H SER A 141 16.302 -15.540 8.910 1.00 0.00 H new ATOM 0 HA SER A 141 18.300 -14.244 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 141 15.251 -14.202 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 141 16.292 -13.214 11.655 1.00 0.00 H new ATOM 0 HG SER A 141 15.577 -12.089 9.757 1.00 0.00 H new ATOM 2243 N SER A 142 17.768 -15.376 12.856 1.00 0.00 N ATOM 2244 CA SER A 142 17.748 -16.248 14.025 1.00 0.00 C ATOM 2245 C SER A 142 16.823 -15.690 15.102 1.00 0.00 C ATOM 2246 O SER A 142 16.882 -14.508 15.436 1.00 0.00 O ATOM 2247 CB SER A 142 19.161 -16.415 14.586 1.00 0.00 C ATOM 2248 OG SER A 142 19.769 -15.156 14.821 1.00 0.00 O ATOM 0 H SER A 142 18.213 -14.471 13.012 1.00 0.00 H new ATOM 0 HA SER A 142 17.370 -17.223 13.716 1.00 0.00 H new ATOM 0 HB2 SER A 142 19.122 -16.983 15.516 1.00 0.00 H new ATOM 0 HB3 SER A 142 19.768 -16.990 13.887 1.00 0.00 H new ATOM 0 HG SER A 142 19.082 -14.501 15.063 1.00 0.00 H new ATOM 2254 N GLY A 143 15.967 -16.553 15.643 1.00 0.00 N ATOM 2255 CA GLY A 143 15.041 -16.129 16.677 1.00 0.00 C ATOM 2256 C GLY A 143 14.744 -17.230 17.675 1.00 0.00 C ATOM 2257 O GLY A 143 15.380 -17.312 18.726 1.00 0.00 O ATOM 0 H GLY A 143 15.899 -17.537 15.384 1.00 0.00 H new ATOM 0 HA2 GLY A 143 15.456 -15.269 17.202 1.00 0.00 H new ATOM 0 HA3 GLY A 143 14.110 -15.801 16.215 1.00 0.00 H new TER 2261 GLY A 143