USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 846 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 NoAdj-H: A 55 HIS HD1 : A 55 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0607 (180deg=-0.0607) USER MOD Single : A 2 SER OG : rot -10:sc= 0.42 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0487 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 8 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.027) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -26:sc= 0.0791 USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= -0.0983 (180deg=-1.44) USER MOD Single : A 18 SER OG : rot 18:sc= 0.00744 USER MOD Single : A 19 SER OG : rot 180:sc= -0.699 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 170:sc= -0.955 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 120:sc= 1.28 USER MOD Single : A 31 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.36) USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= 0.336 (180deg=-0.0153) USER MOD Single : A 34 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.52) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -52:sc= 0.625 USER MOD Single : A 45 HIS : no HD1:sc= -0.0146 K(o=-0.015,f=-2!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.9 K(o=-2.9,f=-8.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= -0.157 (180deg=-0.43) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00943 USER MOD Single : A 77 SER OG : rot -31:sc= 0.116 USER MOD Single : A 83 GLN : amide:sc= 0.581 K(o=0.58,f=-0.64) USER MOD Single : A 84 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.023) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.87! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -4.21! C(o=-4.2!,f=-10!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0047 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -60:sc= 0.607 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 43:sc= 0.317 USER MOD Single : A 107 SER OG : rot 33:sc= 0.449 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.176 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.914 24.741 1.745 1.00 0.00 N ATOM 2 CA GLY A 1 4.112 23.943 1.563 1.00 0.00 C ATOM 3 C GLY A 1 5.147 24.638 0.701 1.00 0.00 C ATOM 4 O GLY A 1 5.528 25.776 0.974 1.00 0.00 O ATOM 0 H1 GLY A 1 2.238 24.222 2.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.162 25.640 2.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.482 24.934 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.547 23.719 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.844 22.990 1.106 1.00 0.00 H new ATOM 8 N SER A 2 5.604 23.953 -0.342 1.00 0.00 N ATOM 9 CA SER A 2 6.605 24.510 -1.244 1.00 0.00 C ATOM 10 C SER A 2 7.661 25.290 -0.467 1.00 0.00 C ATOM 11 O SER A 2 8.078 26.372 -0.880 1.00 0.00 O ATOM 12 CB SER A 2 5.940 25.420 -2.278 1.00 0.00 C ATOM 13 OG SER A 2 5.444 26.602 -1.674 1.00 0.00 O ATOM 0 H SER A 2 5.297 23.011 -0.583 1.00 0.00 H new ATOM 0 HA SER A 2 7.095 23.684 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.659 25.679 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.124 24.887 -2.765 1.00 0.00 H new ATOM 0 HG SER A 2 5.494 26.517 -0.699 1.00 0.00 H new ATOM 19 N SER A 3 8.091 24.732 0.660 1.00 0.00 N ATOM 20 CA SER A 3 9.096 25.376 1.498 1.00 0.00 C ATOM 21 C SER A 3 10.471 24.755 1.272 1.00 0.00 C ATOM 22 O SER A 3 11.417 25.438 0.882 1.00 0.00 O ATOM 23 CB SER A 3 8.709 25.263 2.974 1.00 0.00 C ATOM 24 OG SER A 3 8.414 23.922 3.322 1.00 0.00 O ATOM 0 H SER A 3 7.759 23.835 1.014 1.00 0.00 H new ATOM 0 HA SER A 3 9.143 26.429 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.524 25.633 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.843 25.893 3.175 1.00 0.00 H new ATOM 0 HG SER A 3 8.171 23.876 4.270 1.00 0.00 H new ATOM 30 N GLY A 4 10.573 23.452 1.520 1.00 0.00 N ATOM 31 CA GLY A 4 11.835 22.759 1.339 1.00 0.00 C ATOM 32 C GLY A 4 12.429 22.284 2.650 1.00 0.00 C ATOM 33 O GLY A 4 12.939 21.167 2.739 1.00 0.00 O ATOM 0 H GLY A 4 9.804 22.865 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.685 21.903 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.543 23.423 0.843 1.00 0.00 H new ATOM 37 N SER A 5 12.364 23.134 3.670 1.00 0.00 N ATOM 38 CA SER A 5 12.905 22.797 4.981 1.00 0.00 C ATOM 39 C SER A 5 12.286 21.506 5.509 1.00 0.00 C ATOM 40 O SER A 5 12.988 20.626 6.007 1.00 0.00 O ATOM 41 CB SER A 5 12.653 23.937 5.969 1.00 0.00 C ATOM 42 OG SER A 5 13.386 25.095 5.609 1.00 0.00 O ATOM 0 H SER A 5 11.942 24.061 3.613 1.00 0.00 H new ATOM 0 HA SER A 5 13.980 22.648 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.589 24.170 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.936 23.621 6.973 1.00 0.00 H new ATOM 0 HG SER A 5 13.206 25.810 6.255 1.00 0.00 H new ATOM 48 N SER A 6 10.966 21.401 5.395 1.00 0.00 N ATOM 49 CA SER A 6 10.250 20.220 5.863 1.00 0.00 C ATOM 50 C SER A 6 11.005 18.946 5.497 1.00 0.00 C ATOM 51 O SER A 6 11.691 18.889 4.477 1.00 0.00 O ATOM 52 CB SER A 6 8.842 20.181 5.267 1.00 0.00 C ATOM 53 OG SER A 6 8.889 20.076 3.854 1.00 0.00 O ATOM 0 H SER A 6 10.371 22.119 4.983 1.00 0.00 H new ATOM 0 HA SER A 6 10.175 20.278 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.292 19.335 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.299 21.083 5.550 1.00 0.00 H new ATOM 0 HG SER A 6 7.977 20.051 3.497 1.00 0.00 H new ATOM 59 N GLY A 7 10.873 17.924 6.338 1.00 0.00 N ATOM 60 CA GLY A 7 11.548 16.664 6.086 1.00 0.00 C ATOM 61 C GLY A 7 10.615 15.474 6.199 1.00 0.00 C ATOM 62 O GLY A 7 10.414 14.974 7.305 1.00 0.00 O ATOM 0 H GLY A 7 10.311 17.946 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.988 16.684 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.369 16.547 6.794 1.00 0.00 H new ATOM 66 N HIS A 8 10.068 15.047 5.071 1.00 0.00 N ATOM 67 CA HIS A 8 9.157 13.914 5.064 1.00 0.00 C ATOM 68 C HIS A 8 9.475 13.009 3.872 1.00 0.00 C ATOM 69 O HIS A 8 9.858 13.459 2.792 1.00 0.00 O ATOM 70 CB HIS A 8 7.702 14.387 5.078 1.00 0.00 C ATOM 71 CG HIS A 8 7.287 15.135 3.833 1.00 0.00 C ATOM 72 ND1 HIS A 8 7.016 16.492 3.830 1.00 0.00 N ATOM 73 CD2 HIS A 8 7.101 14.702 2.554 1.00 0.00 C ATOM 74 CE1 HIS A 8 6.682 16.849 2.598 1.00 0.00 C ATOM 75 NE2 HIS A 8 6.734 15.738 1.809 1.00 0.00 N ATOM 0 H HIS A 8 10.237 15.464 4.156 1.00 0.00 H new ATOM 0 HA HIS A 8 9.295 13.325 5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.051 13.522 5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.548 15.030 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.230 13.688 2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.416 17.845 2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.525 15.708 0.811 1.00 0.00 H new ATOM 83 N LYS A 9 9.305 11.710 4.094 1.00 0.00 N ATOM 84 CA LYS A 9 9.564 10.716 3.058 1.00 0.00 C ATOM 85 C LYS A 9 8.572 10.857 1.909 1.00 0.00 C ATOM 86 O LYS A 9 7.415 11.236 2.098 1.00 0.00 O ATOM 87 CB LYS A 9 9.484 9.305 3.645 1.00 0.00 C ATOM 88 CG LYS A 9 10.806 8.800 4.196 1.00 0.00 C ATOM 89 CD LYS A 9 10.597 7.836 5.352 1.00 0.00 C ATOM 90 CE LYS A 9 11.879 7.093 5.698 1.00 0.00 C ATOM 91 NZ LYS A 9 12.779 7.911 6.558 1.00 0.00 N ATOM 0 H LYS A 9 8.989 11.321 4.982 1.00 0.00 H new ATOM 0 HA LYS A 9 10.569 10.885 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.740 9.293 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.136 8.619 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.365 8.303 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.408 9.645 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.246 8.385 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.818 7.119 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.633 6.163 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.401 6.822 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.641 7.370 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.035 8.787 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.290 8.148 7.445 1.00 0.00 H new ATOM 105 N PRO A 10 9.031 10.545 0.688 1.00 0.00 N ATOM 106 CA PRO A 10 8.198 10.627 -0.516 1.00 0.00 C ATOM 107 C PRO A 10 7.112 9.557 -0.543 1.00 0.00 C ATOM 108 O PRO A 10 5.943 9.853 -0.795 1.00 0.00 O ATOM 109 CB PRO A 10 9.197 10.404 -1.654 1.00 0.00 C ATOM 110 CG PRO A 10 10.304 9.620 -1.038 1.00 0.00 C ATOM 111 CD PRO A 10 10.398 10.086 0.388 1.00 0.00 C ATOM 0 HA PRO A 10 7.664 11.575 -0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.740 9.861 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.558 11.351 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.099 8.551 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.242 9.789 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.707 9.281 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.126 10.890 0.501 1.00 0.00 H new ATOM 119 N TRP A 11 7.504 8.315 -0.283 1.00 0.00 N ATOM 120 CA TRP A 11 6.562 7.202 -0.278 1.00 0.00 C ATOM 121 C TRP A 11 6.250 6.760 1.148 1.00 0.00 C ATOM 122 O TRP A 11 7.113 6.804 2.024 1.00 0.00 O ATOM 123 CB TRP A 11 7.126 6.026 -1.078 1.00 0.00 C ATOM 124 CG TRP A 11 7.225 6.301 -2.548 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.301 6.813 -3.215 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.208 6.080 -3.531 1.00 0.00 C ATOM 127 NE1 TRP A 11 8.014 6.924 -4.554 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.737 6.480 -4.774 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.904 5.581 -3.483 1.00 0.00 C ATOM 130 CZ2 TRP A 11 6.005 6.397 -5.955 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.178 5.500 -4.657 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.730 5.905 -5.879 1.00 0.00 C ATOM 0 H TRP A 11 8.467 8.053 -0.073 1.00 0.00 H new ATOM 0 HA TRP A 11 5.637 7.539 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.115 5.776 -0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.494 5.152 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.239 7.090 -2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.649 7.280 -5.269 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.471 5.264 -2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.428 6.710 -6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.168 5.118 -4.631 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.138 5.828 -6.779 1.00 0.00 H new ATOM 143 N ARG A 12 5.011 6.334 1.372 1.00 0.00 N ATOM 144 CA ARG A 12 4.586 5.885 2.693 1.00 0.00 C ATOM 145 C ARG A 12 4.092 4.442 2.643 1.00 0.00 C ATOM 146 O ARG A 12 3.543 3.997 1.636 1.00 0.00 O ATOM 147 CB ARG A 12 3.481 6.794 3.233 1.00 0.00 C ATOM 148 CG ARG A 12 2.113 6.513 2.633 1.00 0.00 C ATOM 149 CD ARG A 12 1.085 7.538 3.084 1.00 0.00 C ATOM 150 NE ARG A 12 0.808 7.444 4.515 1.00 0.00 N ATOM 151 CZ ARG A 12 0.276 8.430 5.228 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.036 9.580 4.645 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.054 8.268 6.526 1.00 0.00 N ATOM 0 H ARG A 12 4.285 6.290 0.657 1.00 0.00 H new ATOM 0 HA ARG A 12 5.446 5.934 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.424 6.679 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.748 7.832 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.183 6.521 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.785 5.515 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.445 8.540 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.160 7.393 2.526 1.00 0.00 H new ATOM 0 HE ARG A 12 1.036 6.572 4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.133 9.708 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.445 10.336 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.292 7.385 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.355 9.026 7.072 1.00 0.00 H new ATOM 167 N ALA A 13 4.294 3.715 3.737 1.00 0.00 N ATOM 168 CA ALA A 13 3.868 2.323 3.819 1.00 0.00 C ATOM 169 C ALA A 13 3.156 2.043 5.138 1.00 0.00 C ATOM 170 O ALA A 13 3.733 2.210 6.212 1.00 0.00 O ATOM 171 CB ALA A 13 5.063 1.396 3.655 1.00 0.00 C ATOM 0 H ALA A 13 4.750 4.067 4.579 1.00 0.00 H new ATOM 0 HA ALA A 13 3.163 2.136 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.731 0.360 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.528 1.570 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.788 1.594 4.445 1.00 0.00 H new ATOM 177 N GLU A 14 1.900 1.619 5.049 1.00 0.00 N ATOM 178 CA GLU A 14 1.109 1.318 6.237 1.00 0.00 C ATOM 179 C GLU A 14 -0.134 0.512 5.873 1.00 0.00 C ATOM 180 O GLU A 14 -0.655 0.621 4.763 1.00 0.00 O ATOM 181 CB GLU A 14 0.703 2.611 6.947 1.00 0.00 C ATOM 182 CG GLU A 14 -0.071 3.574 6.062 1.00 0.00 C ATOM 183 CD GLU A 14 -0.256 4.935 6.704 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.761 5.568 7.056 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.418 5.367 6.852 1.00 0.00 O ATOM 0 H GLU A 14 1.408 1.476 4.167 1.00 0.00 H new ATOM 0 HA GLU A 14 1.724 0.720 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.096 2.362 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.599 3.110 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.454 3.692 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.048 3.148 5.835 1.00 0.00 H new ATOM 192 N TYR A 15 -0.603 -0.298 6.816 1.00 0.00 N ATOM 193 CA TYR A 15 -1.783 -1.125 6.595 1.00 0.00 C ATOM 194 C TYR A 15 -3.061 -0.312 6.779 1.00 0.00 C ATOM 195 O TYR A 15 -3.256 0.335 7.807 1.00 0.00 O ATOM 196 CB TYR A 15 -1.783 -2.318 7.553 1.00 0.00 C ATOM 197 CG TYR A 15 -0.798 -3.400 7.171 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.101 -3.212 6.129 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.767 -4.610 7.853 1.00 0.00 C ATOM 200 CE1 TYR A 15 1.002 -4.198 5.776 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.132 -5.601 7.508 1.00 0.00 C ATOM 202 CZ TYR A 15 1.014 -5.390 6.469 1.00 0.00 C ATOM 203 OH TYR A 15 1.910 -6.376 6.122 1.00 0.00 O ATOM 0 H TYR A 15 -0.184 -0.399 7.740 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.751 -1.491 5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.552 -1.966 8.558 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.785 -2.746 7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.096 -2.279 5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.457 -4.779 8.666 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.693 -4.036 4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.144 -6.536 8.049 1.00 0.00 H new ATOM 0 HH TYR A 15 2.151 -6.281 5.177 1.00 0.00 H new ATOM 213 N ALA A 16 -3.929 -0.351 5.773 1.00 0.00 N ATOM 214 CA ALA A 16 -5.190 0.379 5.823 1.00 0.00 C ATOM 215 C ALA A 16 -6.001 -0.011 7.054 1.00 0.00 C ATOM 216 O ALA A 16 -5.887 -1.128 7.558 1.00 0.00 O ATOM 217 CB ALA A 16 -5.995 0.129 4.557 1.00 0.00 C ATOM 0 H ALA A 16 -3.782 -0.880 4.914 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.963 1.443 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.934 0.680 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.424 0.464 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.204 -0.937 4.463 1.00 0.00 H new ATOM 223 N LYS A 17 -6.822 0.917 7.534 1.00 0.00 N ATOM 224 CA LYS A 17 -7.654 0.672 8.706 1.00 0.00 C ATOM 225 C LYS A 17 -9.110 0.461 8.305 1.00 0.00 C ATOM 226 O LYS A 17 -9.852 -0.255 8.978 1.00 0.00 O ATOM 227 CB LYS A 17 -7.548 1.842 9.687 1.00 0.00 C ATOM 228 CG LYS A 17 -6.205 1.925 10.392 1.00 0.00 C ATOM 229 CD LYS A 17 -5.998 3.284 11.039 1.00 0.00 C ATOM 230 CE LYS A 17 -6.771 3.403 12.344 1.00 0.00 C ATOM 231 NZ LYS A 17 -8.189 3.798 12.114 1.00 0.00 N ATOM 0 H LYS A 17 -6.929 1.847 7.129 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.294 -0.235 9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.725 2.773 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.336 1.751 10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.143 1.146 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.405 1.736 9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.936 3.440 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.318 4.068 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.740 2.450 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.288 4.140 12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.415 4.632 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.327 4.026 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.816 3.012 12.380 1.00 0.00 H new ATOM 245 N SER A 18 -9.513 1.088 7.204 1.00 0.00 N ATOM 246 CA SER A 18 -10.881 0.971 6.715 1.00 0.00 C ATOM 247 C SER A 18 -10.907 0.869 5.193 1.00 0.00 C ATOM 248 O SER A 18 -10.000 1.348 4.512 1.00 0.00 O ATOM 249 CB SER A 18 -11.713 2.171 7.171 1.00 0.00 C ATOM 250 OG SER A 18 -12.124 2.024 8.520 1.00 0.00 O ATOM 0 H SER A 18 -8.911 1.682 6.634 1.00 0.00 H new ATOM 0 HA SER A 18 -11.312 0.060 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.129 3.085 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.589 2.275 6.530 1.00 0.00 H new ATOM 0 HG SER A 18 -11.573 1.342 8.957 1.00 0.00 H new ATOM 256 N SER A 19 -11.954 0.243 4.666 1.00 0.00 N ATOM 257 CA SER A 19 -12.098 0.074 3.225 1.00 0.00 C ATOM 258 C SER A 19 -12.771 1.292 2.599 1.00 0.00 C ATOM 259 O SER A 19 -13.556 1.166 1.659 1.00 0.00 O ATOM 260 CB SER A 19 -12.909 -1.186 2.916 1.00 0.00 C ATOM 261 OG SER A 19 -12.538 -2.254 3.770 1.00 0.00 O ATOM 0 H SER A 19 -12.715 -0.156 5.215 1.00 0.00 H new ATOM 0 HA SER A 19 -11.102 -0.029 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.972 -0.976 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.754 -1.476 1.877 1.00 0.00 H new ATOM 0 HG SER A 19 -13.072 -3.047 3.553 1.00 0.00 H new ATOM 267 N ARG A 20 -12.458 2.470 3.129 1.00 0.00 N ATOM 268 CA ARG A 20 -13.033 3.711 2.624 1.00 0.00 C ATOM 269 C ARG A 20 -12.192 4.275 1.483 1.00 0.00 C ATOM 270 O ARG A 20 -12.727 4.754 0.483 1.00 0.00 O ATOM 271 CB ARG A 20 -13.142 4.742 3.750 1.00 0.00 C ATOM 272 CG ARG A 20 -14.343 4.528 4.657 1.00 0.00 C ATOM 273 CD ARG A 20 -15.568 5.268 4.142 1.00 0.00 C ATOM 274 NE ARG A 20 -16.365 4.444 3.238 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.275 3.569 3.650 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.503 3.405 4.946 1.00 0.00 N ATOM 277 NH2 ARG A 20 -17.960 2.856 2.765 1.00 0.00 N ATOM 0 H ARG A 20 -11.810 2.591 3.907 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.030 3.492 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.233 4.709 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.200 5.739 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.563 3.463 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.106 4.871 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.184 5.581 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.253 6.174 3.624 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.215 4.546 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.979 3.952 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.203 2.732 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.788 2.980 1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.659 2.184 3.082 1.00 0.00 H new ATOM 291 N SER A 21 -10.874 4.216 1.640 1.00 0.00 N ATOM 292 CA SER A 21 -9.959 4.725 0.625 1.00 0.00 C ATOM 293 C SER A 21 -10.042 3.889 -0.649 1.00 0.00 C ATOM 294 O SER A 21 -10.283 2.683 -0.599 1.00 0.00 O ATOM 295 CB SER A 21 -8.524 4.725 1.155 1.00 0.00 C ATOM 296 OG SER A 21 -7.589 4.599 0.098 1.00 0.00 O ATOM 0 H SER A 21 -10.415 3.821 2.461 1.00 0.00 H new ATOM 0 HA SER A 21 -10.251 5.748 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.336 5.648 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.393 3.904 1.860 1.00 0.00 H new ATOM 0 HG SER A 21 -6.680 4.603 0.463 1.00 0.00 H new ATOM 302 N SER A 22 -9.842 4.541 -1.790 1.00 0.00 N ATOM 303 CA SER A 22 -9.898 3.861 -3.079 1.00 0.00 C ATOM 304 C SER A 22 -8.658 4.173 -3.912 1.00 0.00 C ATOM 305 O SER A 22 -8.260 5.330 -4.044 1.00 0.00 O ATOM 306 CB SER A 22 -11.157 4.273 -3.843 1.00 0.00 C ATOM 307 OG SER A 22 -12.304 4.203 -3.013 1.00 0.00 O ATOM 0 H SER A 22 -9.640 5.539 -1.848 1.00 0.00 H new ATOM 0 HA SER A 22 -9.930 2.787 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.040 5.288 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.290 3.623 -4.708 1.00 0.00 H new ATOM 0 HG SER A 22 -13.095 4.473 -3.525 1.00 0.00 H new ATOM 313 N CYS A 23 -8.053 3.131 -4.473 1.00 0.00 N ATOM 314 CA CYS A 23 -6.858 3.291 -5.293 1.00 0.00 C ATOM 315 C CYS A 23 -7.117 4.255 -6.448 1.00 0.00 C ATOM 316 O CYS A 23 -8.263 4.499 -6.823 1.00 0.00 O ATOM 317 CB CYS A 23 -6.403 1.936 -5.838 1.00 0.00 C ATOM 318 SG CYS A 23 -4.909 2.017 -6.877 1.00 0.00 S ATOM 0 H CYS A 23 -8.371 2.167 -4.375 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.069 3.706 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.214 1.264 -5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.214 1.499 -6.420 1.00 0.00 H new ATOM 323 N LYS A 24 -6.042 4.801 -7.007 1.00 0.00 N ATOM 324 CA LYS A 24 -6.150 5.737 -8.119 1.00 0.00 C ATOM 325 C LYS A 24 -5.647 5.105 -9.413 1.00 0.00 C ATOM 326 O LYS A 24 -6.100 5.454 -10.504 1.00 0.00 O ATOM 327 CB LYS A 24 -5.357 7.011 -7.820 1.00 0.00 C ATOM 328 CG LYS A 24 -5.774 7.699 -6.531 1.00 0.00 C ATOM 329 CD LYS A 24 -6.880 8.713 -6.773 1.00 0.00 C ATOM 330 CE LYS A 24 -6.807 9.864 -5.782 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.587 9.582 -4.545 1.00 0.00 N ATOM 0 H LYS A 24 -5.086 4.611 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.202 5.992 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.297 6.764 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.478 7.708 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.114 6.953 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.912 8.198 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.804 9.101 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.850 8.222 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.766 10.052 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.186 10.772 -6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.697 10.459 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.525 9.214 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.084 8.876 -3.971 1.00 0.00 H new ATOM 345 N THR A 25 -4.709 4.172 -9.285 1.00 0.00 N ATOM 346 CA THR A 25 -4.145 3.491 -10.443 1.00 0.00 C ATOM 347 C THR A 25 -5.179 2.591 -11.110 1.00 0.00 C ATOM 348 O THR A 25 -5.288 2.555 -12.336 1.00 0.00 O ATOM 349 CB THR A 25 -2.918 2.644 -10.055 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.799 3.496 -9.788 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.564 1.665 -11.164 1.00 0.00 C ATOM 0 H THR A 25 -4.324 3.871 -8.390 1.00 0.00 H new ATOM 0 HA THR A 25 -3.835 4.266 -11.144 1.00 0.00 H new ATOM 0 HB THR A 25 -3.164 2.077 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.075 2.970 -9.389 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.695 1.078 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.408 0.999 -11.344 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.336 2.216 -12.076 1.00 0.00 H new ATOM 359 N CYS A 26 -5.938 1.865 -10.295 1.00 0.00 N ATOM 360 CA CYS A 26 -6.965 0.965 -10.805 1.00 0.00 C ATOM 361 C CYS A 26 -8.360 1.502 -10.499 1.00 0.00 C ATOM 362 O CYS A 26 -9.353 1.034 -11.056 1.00 0.00 O ATOM 363 CB CYS A 26 -6.798 -0.429 -10.197 1.00 0.00 C ATOM 364 SG CYS A 26 -7.092 -0.497 -8.401 1.00 0.00 S ATOM 0 H CYS A 26 -5.861 1.883 -9.278 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.850 0.899 -11.887 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.485 -1.115 -10.693 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.788 -0.785 -10.403 1.00 0.00 H new ATOM 369 N LYS A 27 -8.426 2.487 -9.610 1.00 0.00 N ATOM 370 CA LYS A 27 -9.698 3.090 -9.229 1.00 0.00 C ATOM 371 C LYS A 27 -10.575 2.087 -8.486 1.00 0.00 C ATOM 372 O LYS A 27 -11.782 2.012 -8.718 1.00 0.00 O ATOM 373 CB LYS A 27 -10.433 3.606 -10.468 1.00 0.00 C ATOM 374 CG LYS A 27 -9.604 4.555 -11.316 1.00 0.00 C ATOM 375 CD LYS A 27 -8.820 3.810 -12.384 1.00 0.00 C ATOM 376 CE LYS A 27 -8.321 4.753 -13.468 1.00 0.00 C ATOM 377 NZ LYS A 27 -7.633 4.020 -14.566 1.00 0.00 N ATOM 0 H LYS A 27 -7.613 2.885 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.489 3.927 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.737 2.757 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.344 4.115 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.258 5.288 -11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.915 5.108 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.973 3.300 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.451 3.042 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.161 5.314 -13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.636 5.479 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.308 4.697 -15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.816 3.505 -14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.294 3.345 -15.000 1.00 0.00 H new ATOM 391 N SER A 28 -9.961 1.319 -7.592 1.00 0.00 N ATOM 392 CA SER A 28 -10.686 0.319 -6.816 1.00 0.00 C ATOM 393 C SER A 28 -10.647 0.653 -5.328 1.00 0.00 C ATOM 394 O SER A 28 -10.095 1.677 -4.923 1.00 0.00 O ATOM 395 CB SER A 28 -10.092 -1.070 -7.054 1.00 0.00 C ATOM 396 OG SER A 28 -9.893 -1.310 -8.437 1.00 0.00 O ATOM 0 H SER A 28 -8.963 1.370 -7.387 1.00 0.00 H new ATOM 0 HA SER A 28 -11.725 0.323 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.142 -1.158 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.757 -1.829 -6.642 1.00 0.00 H new ATOM 0 HG SER A 28 -8.941 -1.471 -8.608 1.00 0.00 H new ATOM 402 N VAL A 29 -11.238 -0.218 -4.517 1.00 0.00 N ATOM 403 CA VAL A 29 -11.272 -0.018 -3.073 1.00 0.00 C ATOM 404 C VAL A 29 -10.126 -0.756 -2.389 1.00 0.00 C ATOM 405 O VAL A 29 -9.753 -1.857 -2.796 1.00 0.00 O ATOM 406 CB VAL A 29 -12.607 -0.495 -2.471 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.405 -0.989 -1.047 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.640 0.621 -2.515 1.00 0.00 C ATOM 0 H VAL A 29 -11.700 -1.070 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.166 1.053 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.978 -1.327 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.359 -1.322 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.700 -1.821 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.010 -0.179 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.577 0.267 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.278 1.475 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.806 0.923 -3.549 1.00 0.00 H new ATOM 418 N ILE A 30 -9.573 -0.143 -1.348 1.00 0.00 N ATOM 419 CA ILE A 30 -8.471 -0.743 -0.607 1.00 0.00 C ATOM 420 C ILE A 30 -8.924 -1.205 0.774 1.00 0.00 C ATOM 421 O ILE A 30 -8.849 -0.454 1.746 1.00 0.00 O ATOM 422 CB ILE A 30 -7.298 0.242 -0.447 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.810 0.714 -1.818 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.163 -0.408 0.330 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.091 2.044 -1.778 1.00 0.00 C ATOM 0 H ILE A 30 -9.870 0.768 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.135 -1.605 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.645 1.110 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.142 -0.039 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.663 0.792 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.341 0.301 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.519 -0.700 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.814 -1.291 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.773 2.316 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.763 2.809 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.218 1.966 -1.130 1.00 0.00 H new ATOM 437 N ASN A 31 -9.393 -2.446 0.853 1.00 0.00 N ATOM 438 CA ASN A 31 -9.857 -3.008 2.116 1.00 0.00 C ATOM 439 C ASN A 31 -8.782 -2.892 3.192 1.00 0.00 C ATOM 440 O ASN A 31 -7.587 -2.948 2.899 1.00 0.00 O ATOM 441 CB ASN A 31 -10.252 -4.475 1.930 1.00 0.00 C ATOM 442 CG ASN A 31 -10.984 -4.715 0.624 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.457 -5.355 -0.287 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.205 -4.202 0.526 1.00 0.00 N ATOM 0 H ASN A 31 -9.462 -3.081 0.058 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.730 -2.441 2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.357 -5.096 1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.885 -4.786 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.745 -4.331 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.602 -3.679 1.306 1.00 0.00 H new ATOM 451 N LYS A 32 -9.214 -2.731 4.438 1.00 0.00 N ATOM 452 CA LYS A 32 -8.289 -2.609 5.559 1.00 0.00 C ATOM 453 C LYS A 32 -7.485 -3.891 5.743 1.00 0.00 C ATOM 454 O LYS A 32 -7.850 -4.944 5.221 1.00 0.00 O ATOM 455 CB LYS A 32 -9.054 -2.285 6.844 1.00 0.00 C ATOM 456 CG LYS A 32 -9.669 -3.504 7.509 1.00 0.00 C ATOM 457 CD LYS A 32 -11.036 -3.191 8.094 1.00 0.00 C ATOM 458 CE LYS A 32 -10.935 -2.773 9.553 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.004 -1.806 9.928 1.00 0.00 N ATOM 0 H LYS A 32 -10.199 -2.682 4.697 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.597 -1.796 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.377 -1.800 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.843 -1.569 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.760 -4.310 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.008 -3.861 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.506 -2.394 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.679 -4.067 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.004 -3.655 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.959 -2.324 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.264 -1.946 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.657 -0.835 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.839 -1.961 9.327 1.00 0.00 H new ATOM 473 N GLU A 33 -6.389 -3.795 6.489 1.00 0.00 N ATOM 474 CA GLU A 33 -5.534 -4.949 6.741 1.00 0.00 C ATOM 475 C GLU A 33 -4.765 -5.342 5.483 1.00 0.00 C ATOM 476 O GLU A 33 -4.364 -6.494 5.323 1.00 0.00 O ATOM 477 CB GLU A 33 -6.369 -6.133 7.233 1.00 0.00 C ATOM 478 CG GLU A 33 -7.479 -5.738 8.191 1.00 0.00 C ATOM 479 CD GLU A 33 -7.749 -6.799 9.241 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.431 -7.794 8.918 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.277 -6.634 10.385 1.00 0.00 O ATOM 0 H GLU A 33 -6.073 -2.931 6.929 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.816 -4.675 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.806 -6.641 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.713 -6.850 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.212 -4.803 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.392 -5.551 7.626 1.00 0.00 H new ATOM 488 N ASN A 34 -4.564 -4.376 4.593 1.00 0.00 N ATOM 489 CA ASN A 34 -3.845 -4.620 3.348 1.00 0.00 C ATOM 490 C ASN A 34 -2.663 -3.666 3.207 1.00 0.00 C ATOM 491 O ASN A 34 -2.681 -2.555 3.736 1.00 0.00 O ATOM 492 CB ASN A 34 -4.786 -4.465 2.152 1.00 0.00 C ATOM 493 CG ASN A 34 -5.484 -5.763 1.793 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.865 -6.827 1.768 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.779 -5.680 1.514 1.00 0.00 N ATOM 0 H ASN A 34 -4.889 -3.416 4.711 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.464 -5.641 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.533 -3.704 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.219 -4.110 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.302 -6.520 1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.251 -4.776 1.547 1.00 0.00 H new ATOM 502 N PHE A 35 -1.636 -4.108 2.488 1.00 0.00 N ATOM 503 CA PHE A 35 -0.444 -3.294 2.277 1.00 0.00 C ATOM 504 C PHE A 35 -0.619 -2.377 1.069 1.00 0.00 C ATOM 505 O PHE A 35 -0.727 -2.842 -0.066 1.00 0.00 O ATOM 506 CB PHE A 35 0.782 -4.188 2.079 1.00 0.00 C ATOM 507 CG PHE A 35 1.943 -3.480 1.442 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.101 -2.111 1.587 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.877 -4.183 0.699 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.169 -1.457 1.003 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.948 -3.535 0.113 1.00 0.00 C ATOM 512 CZ PHE A 35 4.093 -2.169 0.264 1.00 0.00 C ATOM 0 H PHE A 35 -1.605 -5.025 2.042 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.295 -2.676 3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.094 -4.583 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.503 -5.041 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.381 -1.549 2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.767 -5.250 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.281 -0.390 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.670 -4.095 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.927 -1.659 -0.195 1.00 0.00 H new ATOM 522 N ARG A 36 -0.647 -1.073 1.323 1.00 0.00 N ATOM 523 CA ARG A 36 -0.811 -0.091 0.259 1.00 0.00 C ATOM 524 C ARG A 36 0.333 0.919 0.270 1.00 0.00 C ATOM 525 O ARG A 36 1.175 0.910 1.169 1.00 0.00 O ATOM 526 CB ARG A 36 -2.149 0.636 0.408 1.00 0.00 C ATOM 527 CG ARG A 36 -2.316 1.337 1.746 1.00 0.00 C ATOM 528 CD ARG A 36 -3.615 2.124 1.805 1.00 0.00 C ATOM 529 NE ARG A 36 -3.853 2.691 3.130 1.00 0.00 N ATOM 530 CZ ARG A 36 -5.030 3.159 3.529 1.00 0.00 C ATOM 531 NH1 ARG A 36 -6.072 3.127 2.709 1.00 0.00 N ATOM 532 NH2 ARG A 36 -5.168 3.659 4.750 1.00 0.00 N ATOM 0 H ARG A 36 -0.558 -0.672 2.257 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.797 -0.620 -0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.245 1.370 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.959 -0.082 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.299 0.600 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.474 2.009 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.586 2.926 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.446 1.472 1.535 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.072 2.730 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.970 2.742 1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.975 3.487 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.369 3.684 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.073 4.018 5.055 1.00 0.00 H new ATOM 546 N LEU A 37 0.357 1.789 -0.734 1.00 0.00 N ATOM 547 CA LEU A 37 1.398 2.806 -0.840 1.00 0.00 C ATOM 548 C LEU A 37 0.788 4.193 -1.018 1.00 0.00 C ATOM 549 O LEU A 37 -0.229 4.353 -1.692 1.00 0.00 O ATOM 550 CB LEU A 37 2.328 2.491 -2.013 1.00 0.00 C ATOM 551 CG LEU A 37 3.306 1.334 -1.802 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.125 1.091 -3.060 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.217 1.616 -0.616 1.00 0.00 C ATOM 0 H LEU A 37 -0.332 1.811 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 37 1.974 2.799 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.716 2.268 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.902 3.388 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 37 2.732 0.432 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.815 0.264 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.458 0.844 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.690 1.990 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.906 0.783 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.783 2.529 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.615 1.739 0.284 1.00 0.00 H new ATOM 565 N GLY A 38 1.419 5.193 -0.411 1.00 0.00 N ATOM 566 CA GLY A 38 0.925 6.554 -0.516 1.00 0.00 C ATOM 567 C GLY A 38 1.996 7.526 -0.969 1.00 0.00 C ATOM 568 O GLY A 38 2.916 7.844 -0.215 1.00 0.00 O ATOM 0 H GLY A 38 2.263 5.085 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.093 6.582 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.536 6.872 0.451 1.00 0.00 H new ATOM 572 N LYS A 39 1.880 7.998 -2.206 1.00 0.00 N ATOM 573 CA LYS A 39 2.846 8.939 -2.760 1.00 0.00 C ATOM 574 C LYS A 39 2.547 10.361 -2.297 1.00 0.00 C ATOM 575 O LYS A 39 1.608 10.997 -2.777 1.00 0.00 O ATOM 576 CB LYS A 39 2.831 8.876 -4.289 1.00 0.00 C ATOM 577 CG LYS A 39 3.895 9.740 -4.944 1.00 0.00 C ATOM 578 CD LYS A 39 4.280 9.207 -6.314 1.00 0.00 C ATOM 579 CE LYS A 39 5.730 9.523 -6.647 1.00 0.00 C ATOM 580 NZ LYS A 39 5.939 9.693 -8.112 1.00 0.00 N ATOM 0 H LYS A 39 1.126 7.744 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 39 3.836 8.659 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.971 7.842 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.850 9.188 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.527 10.762 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.778 9.778 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.126 8.128 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.628 9.642 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.031 10.434 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.370 8.721 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.940 9.907 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.676 8.816 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.348 10.475 -8.459 1.00 0.00 H new ATOM 594 N LEU A 40 3.353 10.856 -1.363 1.00 0.00 N ATOM 595 CA LEU A 40 3.175 12.204 -0.836 1.00 0.00 C ATOM 596 C LEU A 40 3.692 13.247 -1.823 1.00 0.00 C ATOM 597 O LEU A 40 4.885 13.299 -2.119 1.00 0.00 O ATOM 598 CB LEU A 40 3.901 12.349 0.503 1.00 0.00 C ATOM 599 CG LEU A 40 3.653 11.239 1.524 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.581 11.395 2.719 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.199 11.242 1.973 1.00 0.00 C ATOM 0 H LEU A 40 4.135 10.344 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 40 2.109 12.371 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.972 12.404 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.609 13.299 0.951 1.00 0.00 H new ATOM 0 HG LEU A 40 3.864 10.281 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.390 10.596 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.617 11.342 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.402 12.359 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.041 10.445 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.961 12.202 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.552 11.081 1.111 1.00 0.00 H new ATOM 613 N VAL A 41 2.785 14.078 -2.327 1.00 0.00 N ATOM 614 CA VAL A 41 3.149 15.122 -3.277 1.00 0.00 C ATOM 615 C VAL A 41 2.850 16.506 -2.714 1.00 0.00 C ATOM 616 O VAL A 41 1.721 16.797 -2.322 1.00 0.00 O ATOM 617 CB VAL A 41 2.400 14.951 -4.612 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.812 13.655 -5.294 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.896 14.990 -4.388 1.00 0.00 C ATOM 0 H VAL A 41 1.793 14.048 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 41 4.220 15.029 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 41 2.668 15.780 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.272 13.552 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.884 13.672 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.575 12.811 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.383 14.868 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.607 14.183 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.619 15.947 -3.947 1.00 0.00 H new ATOM 629 N GLN A 42 3.872 17.357 -2.676 1.00 0.00 N ATOM 630 CA GLN A 42 3.718 18.712 -2.160 1.00 0.00 C ATOM 631 C GLN A 42 3.030 19.609 -3.183 1.00 0.00 C ATOM 632 O GLN A 42 3.320 19.542 -4.377 1.00 0.00 O ATOM 633 CB GLN A 42 5.082 19.295 -1.788 1.00 0.00 C ATOM 634 CG GLN A 42 5.832 18.476 -0.750 1.00 0.00 C ATOM 635 CD GLN A 42 7.284 18.891 -0.616 1.00 0.00 C ATOM 636 OE1 GLN A 42 7.620 19.765 0.184 1.00 0.00 O ATOM 637 NE2 GLN A 42 8.153 18.265 -1.400 1.00 0.00 N ATOM 0 H GLN A 42 4.814 17.132 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 42 3.094 18.666 -1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.692 19.372 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.944 20.308 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.338 18.581 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.783 17.421 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.830 17.547 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.144 18.502 -1.354 1.00 0.00 H new ATOM 646 N SER A 43 2.116 20.448 -2.706 1.00 0.00 N ATOM 647 CA SER A 43 1.383 21.357 -3.580 1.00 0.00 C ATOM 648 C SER A 43 2.152 22.659 -3.778 1.00 0.00 C ATOM 649 O SER A 43 3.049 22.989 -3.002 1.00 0.00 O ATOM 650 CB SER A 43 -0.001 21.652 -2.999 1.00 0.00 C ATOM 651 OG SER A 43 -0.808 20.487 -2.985 1.00 0.00 O ATOM 0 H SER A 43 1.865 20.517 -1.720 1.00 0.00 H new ATOM 0 HA SER A 43 1.266 20.873 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.102 22.039 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.488 22.428 -3.589 1.00 0.00 H new ATOM 0 HG SER A 43 -1.686 20.702 -2.608 1.00 0.00 H new ATOM 657 N THR A 44 1.794 23.398 -4.825 1.00 0.00 N ATOM 658 CA THR A 44 2.450 24.663 -5.127 1.00 0.00 C ATOM 659 C THR A 44 1.755 25.824 -4.426 1.00 0.00 C ATOM 660 O THR A 44 1.618 26.892 -5.021 1.00 0.00 O ATOM 661 CB THR A 44 2.476 24.935 -6.643 1.00 0.00 C ATOM 662 OG1 THR A 44 3.289 26.080 -6.922 1.00 0.00 O ATOM 663 CG2 THR A 44 1.069 25.163 -7.176 1.00 0.00 C ATOM 0 H THR A 44 1.053 23.141 -5.477 1.00 0.00 H new ATOM 0 HA THR A 44 3.474 24.582 -4.762 1.00 0.00 H new ATOM 0 HB THR A 44 2.898 24.061 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.000 26.831 -6.362 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.113 25.353 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.461 24.278 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.624 26.022 -6.673 1.00 0.00 H new ATOM 671 N HIS A 45 1.335 25.595 -3.190 1.00 0.00 N ATOM 672 CA HIS A 45 0.659 26.630 -2.426 1.00 0.00 C ATOM 673 C HIS A 45 0.424 26.140 -0.995 1.00 0.00 C ATOM 674 O HIS A 45 0.499 24.949 -0.693 1.00 0.00 O ATOM 675 CB HIS A 45 -0.631 27.065 -3.123 1.00 0.00 C ATOM 676 CG HIS A 45 -1.168 28.394 -2.646 1.00 0.00 C ATOM 677 ND1 HIS A 45 -0.355 29.394 -2.142 1.00 0.00 N ATOM 678 CD2 HIS A 45 -2.444 28.875 -2.603 1.00 0.00 C ATOM 679 CE1 HIS A 45 -1.118 30.426 -1.813 1.00 0.00 C ATOM 680 NE2 HIS A 45 -2.412 30.103 -2.099 1.00 0.00 N ATOM 0 H HIS A 45 1.450 24.708 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 45 1.290 27.517 -2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.451 27.122 -4.197 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.392 26.300 -2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.330 28.347 -2.924 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.775 31.360 -1.392 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.222 30.705 -1.950 1.00 0.00 H new ATOM 688 N PHE A 46 0.137 27.093 -0.115 1.00 0.00 N ATOM 689 CA PHE A 46 -0.113 26.787 1.289 1.00 0.00 C ATOM 690 C PHE A 46 -1.347 25.903 1.441 1.00 0.00 C ATOM 691 O PHE A 46 -2.479 26.386 1.401 1.00 0.00 O ATOM 692 CB PHE A 46 -0.294 28.079 2.089 1.00 0.00 C ATOM 693 CG PHE A 46 0.968 28.881 2.226 1.00 0.00 C ATOM 694 CD1 PHE A 46 1.303 29.837 1.280 1.00 0.00 C ATOM 695 CD2 PHE A 46 1.819 28.681 3.301 1.00 0.00 C ATOM 696 CE1 PHE A 46 2.464 30.576 1.403 1.00 0.00 C ATOM 697 CE2 PHE A 46 2.981 29.418 3.430 1.00 0.00 C ATOM 698 CZ PHE A 46 3.303 30.367 2.480 1.00 0.00 C ATOM 0 H PHE A 46 0.072 28.084 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 46 0.750 26.245 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.054 28.693 1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.668 27.832 3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.649 30.006 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.571 27.940 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.715 31.316 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.636 29.252 4.272 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.210 30.945 2.579 1.00 0.00 H new ATOM 708 N ASP A 47 -1.120 24.606 1.616 1.00 0.00 N ATOM 709 CA ASP A 47 -2.212 23.653 1.776 1.00 0.00 C ATOM 710 C ASP A 47 -1.704 22.336 2.354 1.00 0.00 C ATOM 711 O ASP A 47 -0.505 22.063 2.343 1.00 0.00 O ATOM 712 CB ASP A 47 -2.900 23.404 0.433 1.00 0.00 C ATOM 713 CG ASP A 47 -4.034 24.376 0.174 1.00 0.00 C ATOM 714 OD1 ASP A 47 -4.575 24.931 1.153 1.00 0.00 O ATOM 715 OD2 ASP A 47 -4.381 24.583 -1.009 1.00 0.00 O ATOM 0 H ASP A 47 -0.189 24.190 1.651 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.935 24.079 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.166 23.485 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.286 22.385 0.409 1.00 0.00 H new ATOM 720 N GLY A 48 -2.626 21.522 2.859 1.00 0.00 N ATOM 721 CA GLY A 48 -2.252 20.244 3.435 1.00 0.00 C ATOM 722 C GLY A 48 -1.530 19.351 2.446 1.00 0.00 C ATOM 723 O GLY A 48 -0.874 19.838 1.525 1.00 0.00 O ATOM 0 H GLY A 48 -3.625 21.725 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.612 20.413 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.147 19.735 3.794 1.00 0.00 H new ATOM 727 N ILE A 49 -1.649 18.041 2.637 1.00 0.00 N ATOM 728 CA ILE A 49 -1.002 17.079 1.754 1.00 0.00 C ATOM 729 C ILE A 49 -1.991 16.023 1.272 1.00 0.00 C ATOM 730 O ILE A 49 -2.786 15.502 2.053 1.00 0.00 O ATOM 731 CB ILE A 49 0.179 16.380 2.453 1.00 0.00 C ATOM 732 CG1 ILE A 49 1.233 17.407 2.871 1.00 0.00 C ATOM 733 CG2 ILE A 49 0.789 15.329 1.537 1.00 0.00 C ATOM 734 CD1 ILE A 49 2.328 16.830 3.740 1.00 0.00 C ATOM 0 H ILE A 49 -2.187 17.622 3.395 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.627 17.639 0.897 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.191 15.882 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.681 17.841 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.744 18.219 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.622 14.843 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.034 14.584 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.148 15.806 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.039 17.615 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.892 16.422 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.843 16.037 3.198 1.00 0.00 H new ATOM 746 N MET A 50 -1.933 15.711 -0.018 1.00 0.00 N ATOM 747 CA MET A 50 -2.821 14.714 -0.604 1.00 0.00 C ATOM 748 C MET A 50 -2.072 13.416 -0.885 1.00 0.00 C ATOM 749 O MET A 50 -1.451 13.244 -1.935 1.00 0.00 O ATOM 750 CB MET A 50 -3.442 15.249 -1.896 1.00 0.00 C ATOM 751 CG MET A 50 -4.783 14.618 -2.233 1.00 0.00 C ATOM 752 SD MET A 50 -4.651 12.856 -2.593 1.00 0.00 S ATOM 753 CE MET A 50 -6.329 12.318 -2.273 1.00 0.00 C ATOM 0 H MET A 50 -1.280 16.134 -0.678 1.00 0.00 H new ATOM 0 HA MET A 50 -3.615 14.506 0.113 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.569 16.328 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.751 15.075 -2.721 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.469 14.764 -1.398 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.215 15.129 -3.093 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.408 11.246 -2.452 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.588 12.533 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.014 12.848 -2.935 1.00 0.00 H new ATOM 763 N PRO A 51 -2.128 12.479 0.073 1.00 0.00 N ATOM 764 CA PRO A 51 -1.460 11.180 -0.049 1.00 0.00 C ATOM 765 C PRO A 51 -2.116 10.287 -1.097 1.00 0.00 C ATOM 766 O PRO A 51 -3.195 9.741 -0.872 1.00 0.00 O ATOM 767 CB PRO A 51 -1.614 10.569 1.346 1.00 0.00 C ATOM 768 CG PRO A 51 -2.827 11.222 1.913 1.00 0.00 C ATOM 769 CD PRO A 51 -2.849 12.616 1.350 1.00 0.00 C ATOM 0 HA PRO A 51 -0.424 11.283 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.735 9.487 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.736 10.762 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.729 10.676 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.786 11.242 3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.868 12.973 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.357 13.326 2.015 1.00 0.00 H new ATOM 777 N MET A 52 -1.456 10.144 -2.242 1.00 0.00 N ATOM 778 CA MET A 52 -1.976 9.315 -3.324 1.00 0.00 C ATOM 779 C MET A 52 -2.003 7.845 -2.918 1.00 0.00 C ATOM 780 O MET A 52 -0.996 7.144 -3.025 1.00 0.00 O ATOM 781 CB MET A 52 -1.127 9.493 -4.584 1.00 0.00 C ATOM 782 CG MET A 52 -1.086 10.925 -5.092 1.00 0.00 C ATOM 783 SD MET A 52 -2.384 11.273 -6.294 1.00 0.00 S ATOM 784 CE MET A 52 -2.043 12.990 -6.673 1.00 0.00 C ATOM 0 H MET A 52 -0.562 10.591 -2.444 1.00 0.00 H new ATOM 0 HA MET A 52 -2.997 9.634 -3.534 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.110 9.160 -4.377 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.519 8.848 -5.371 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.184 11.609 -4.249 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.114 11.117 -5.547 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.765 13.351 -7.406 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.120 13.586 -5.763 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.036 13.080 -7.081 1.00 0.00 H new ATOM 794 N TRP A 53 -3.158 7.385 -2.453 1.00 0.00 N ATOM 795 CA TRP A 53 -3.315 5.998 -2.031 1.00 0.00 C ATOM 796 C TRP A 53 -3.425 5.071 -3.237 1.00 0.00 C ATOM 797 O TRP A 53 -4.311 5.233 -4.076 1.00 0.00 O ATOM 798 CB TRP A 53 -4.551 5.850 -1.143 1.00 0.00 C ATOM 799 CG TRP A 53 -4.389 6.474 0.210 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.197 7.416 0.780 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.355 6.201 1.161 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.727 7.745 2.028 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.598 7.013 2.286 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.248 5.348 1.173 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.774 6.997 3.408 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.430 5.333 2.287 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.697 6.152 3.392 1.00 0.00 C ATOM 0 H TRP A 53 -4.000 7.952 -2.358 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.431 5.716 -1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.406 6.304 -1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.778 4.791 -1.022 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.076 7.840 0.318 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.150 8.424 2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.035 4.712 0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.977 7.628 4.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.571 4.679 2.306 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.040 6.116 4.248 1.00 0.00 H new ATOM 818 N ASN A 54 -2.521 4.101 -3.317 1.00 0.00 N ATOM 819 CA ASN A 54 -2.518 3.148 -4.421 1.00 0.00 C ATOM 820 C ASN A 54 -1.981 1.793 -3.970 1.00 0.00 C ATOM 821 O ASN A 54 -0.956 1.747 -3.291 1.00 0.00 O ATOM 822 CB ASN A 54 -1.674 3.683 -5.580 1.00 0.00 C ATOM 823 CG ASN A 54 -2.093 5.077 -6.006 1.00 0.00 C ATOM 824 OD1 ASN A 54 -3.072 5.248 -6.732 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.351 6.081 -5.555 1.00 0.00 N ATOM 0 H ASN A 54 -1.781 3.954 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.546 3.017 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.625 3.696 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.758 3.006 -6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.584 7.041 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.548 5.892 -4.955 1.00 0.00 H new ATOM 832 N HIS A 55 -2.677 0.733 -4.352 1.00 0.00 N ATOM 833 CA HIS A 55 -2.260 -0.609 -3.981 1.00 0.00 C ATOM 834 C HIS A 55 -0.753 -0.757 -4.201 1.00 0.00 C ATOM 835 O HIS A 55 -0.193 -0.313 -5.202 1.00 0.00 O ATOM 836 CB HIS A 55 -3.076 -1.660 -4.736 1.00 0.00 C ATOM 837 CG HIS A 55 -4.558 -1.607 -4.452 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.477 -1.101 -5.355 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.271 -2.003 -3.359 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.685 -1.192 -4.819 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.555 -1.751 -3.581 1.00 0.00 N ATOM 0 H HIS A 55 -3.527 0.776 -4.915 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.455 -0.775 -2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.917 -1.529 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.702 -2.651 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.860 -2.447 -2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.610 -0.879 -5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.319 -1.943 -2.933 1.00 0.00 H new ATOM 849 N ALA A 56 -0.105 -1.398 -3.233 1.00 0.00 N ATOM 850 CA ALA A 56 1.334 -1.622 -3.296 1.00 0.00 C ATOM 851 C ALA A 56 1.720 -2.354 -4.577 1.00 0.00 C ATOM 852 O ALA A 56 2.866 -2.287 -5.020 1.00 0.00 O ATOM 853 CB ALA A 56 1.800 -2.405 -2.078 1.00 0.00 C ATOM 0 H ALA A 56 -0.554 -1.771 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 56 1.828 -0.650 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.876 -2.565 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.567 -1.843 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.291 -3.368 -2.048 1.00 0.00 H new ATOM 859 N SER A 57 0.756 -3.053 -5.167 1.00 0.00 N ATOM 860 CA SER A 57 0.996 -3.802 -6.395 1.00 0.00 C ATOM 861 C SER A 57 0.692 -2.947 -7.621 1.00 0.00 C ATOM 862 O SER A 57 1.171 -3.224 -8.721 1.00 0.00 O ATOM 863 CB SER A 57 0.143 -5.071 -6.420 1.00 0.00 C ATOM 864 OG SER A 57 0.523 -5.921 -7.488 1.00 0.00 O ATOM 0 H SER A 57 -0.199 -3.116 -4.814 1.00 0.00 H new ATOM 0 HA SER A 57 2.049 -4.081 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.248 -5.602 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.909 -4.804 -6.521 1.00 0.00 H new ATOM 0 HG SER A 57 -0.036 -6.726 -7.481 1.00 0.00 H new ATOM 870 N CYS A 58 -0.110 -1.905 -7.424 1.00 0.00 N ATOM 871 CA CYS A 58 -0.481 -1.008 -8.511 1.00 0.00 C ATOM 872 C CYS A 58 0.666 -0.059 -8.849 1.00 0.00 C ATOM 873 O CYS A 58 0.784 0.410 -9.981 1.00 0.00 O ATOM 874 CB CYS A 58 -1.728 -0.206 -8.136 1.00 0.00 C ATOM 875 SG CYS A 58 -3.290 -1.119 -8.343 1.00 0.00 S ATOM 0 H CYS A 58 -0.515 -1.662 -6.520 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.699 -1.614 -9.390 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.642 0.115 -7.098 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.764 0.696 -8.746 1.00 0.00 H new ATOM 880 N ILE A 59 1.507 0.218 -7.859 1.00 0.00 N ATOM 881 CA ILE A 59 2.645 1.109 -8.051 1.00 0.00 C ATOM 882 C ILE A 59 3.887 0.332 -8.472 1.00 0.00 C ATOM 883 O ILE A 59 4.515 0.644 -9.485 1.00 0.00 O ATOM 884 CB ILE A 59 2.959 1.905 -6.770 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.742 2.727 -6.342 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.165 2.807 -6.990 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.505 3.949 -7.203 1.00 0.00 C ATOM 0 H ILE A 59 1.422 -0.161 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 59 2.370 1.806 -8.843 1.00 0.00 H new ATOM 0 HB ILE A 59 3.196 1.202 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.856 2.093 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.872 3.042 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.375 3.363 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.031 2.199 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.954 3.506 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.626 4.484 -6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.375 4.604 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.343 3.641 -8.236 1.00 0.00 H new ATOM 899 N LEU A 60 4.237 -0.682 -7.688 1.00 0.00 N ATOM 900 CA LEU A 60 5.404 -1.507 -7.980 1.00 0.00 C ATOM 901 C LEU A 60 5.363 -2.021 -9.416 1.00 0.00 C ATOM 902 O LEU A 60 6.402 -2.214 -10.048 1.00 0.00 O ATOM 903 CB LEU A 60 5.477 -2.685 -7.007 1.00 0.00 C ATOM 904 CG LEU A 60 5.744 -2.331 -5.543 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.538 -3.547 -4.654 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.152 -1.778 -5.377 1.00 0.00 C ATOM 0 H LEU A 60 3.729 -0.952 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 60 6.294 -0.889 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.537 -3.234 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.262 -3.362 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 60 5.035 -1.561 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.732 -3.276 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.511 -3.899 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.223 -4.339 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.325 -1.531 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.877 -2.526 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.264 -0.880 -5.984 1.00 0.00 H new ATOM 918 N LYS A 61 4.156 -2.238 -9.927 1.00 0.00 N ATOM 919 CA LYS A 61 3.977 -2.726 -11.289 1.00 0.00 C ATOM 920 C LYS A 61 4.420 -1.677 -12.305 1.00 0.00 C ATOM 921 O LYS A 61 4.825 -2.009 -13.419 1.00 0.00 O ATOM 922 CB LYS A 61 2.513 -3.099 -11.531 1.00 0.00 C ATOM 923 CG LYS A 61 1.592 -1.897 -11.654 1.00 0.00 C ATOM 924 CD LYS A 61 0.412 -2.190 -12.566 1.00 0.00 C ATOM 925 CE LYS A 61 -0.626 -1.080 -12.509 1.00 0.00 C ATOM 926 NZ LYS A 61 -0.351 -0.011 -13.509 1.00 0.00 N ATOM 0 H LYS A 61 3.286 -2.083 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 61 4.597 -3.614 -11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.444 -3.694 -12.442 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.167 -3.729 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.228 -1.614 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.152 -1.047 -12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.764 -2.308 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.048 -3.135 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.616 -1.499 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.640 -0.647 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.886 0.845 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.666 0.206 -13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.641 -0.336 -14.453 1.00 0.00 H new ATOM 940 N LYS A 62 4.343 -0.410 -11.912 1.00 0.00 N ATOM 941 CA LYS A 62 4.739 0.688 -12.787 1.00 0.00 C ATOM 942 C LYS A 62 6.251 0.882 -12.766 1.00 0.00 C ATOM 943 O LYS A 62 6.979 0.105 -12.146 1.00 0.00 O ATOM 944 CB LYS A 62 4.042 1.982 -12.361 1.00 0.00 C ATOM 945 CG LYS A 62 2.531 1.936 -12.507 1.00 0.00 C ATOM 946 CD LYS A 62 1.847 2.871 -11.524 1.00 0.00 C ATOM 947 CE LYS A 62 0.539 3.409 -12.084 1.00 0.00 C ATOM 948 NZ LYS A 62 0.756 4.597 -12.955 1.00 0.00 N ATOM 0 H LYS A 62 4.010 -0.118 -10.993 1.00 0.00 H new ATOM 0 HA LYS A 62 4.437 0.437 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.292 2.194 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.431 2.808 -12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.254 2.211 -13.525 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.180 0.917 -12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.654 2.342 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.512 3.702 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.039 2.626 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.125 3.677 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.159 4.934 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.210 5.353 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.369 4.335 -13.753 1.00 0.00 H new ATOM 962 N THR A 63 6.719 1.924 -13.446 1.00 0.00 N ATOM 963 CA THR A 63 8.145 2.220 -13.505 1.00 0.00 C ATOM 964 C THR A 63 8.433 3.636 -13.020 1.00 0.00 C ATOM 965 O THR A 63 7.535 4.476 -12.952 1.00 0.00 O ATOM 966 CB THR A 63 8.694 2.058 -14.935 1.00 0.00 C ATOM 967 OG1 THR A 63 8.115 0.904 -15.554 1.00 0.00 O ATOM 968 CG2 THR A 63 10.209 1.927 -14.922 1.00 0.00 C ATOM 0 H THR A 63 6.131 2.577 -13.964 1.00 0.00 H new ATOM 0 HA THR A 63 8.643 1.506 -12.849 1.00 0.00 H new ATOM 0 HB THR A 63 8.428 2.948 -15.506 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.468 0.809 -16.463 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.573 1.814 -15.943 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.648 2.820 -14.477 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.494 1.053 -14.336 1.00 0.00 H new ATOM 976 N LYS A 64 9.692 3.897 -12.683 1.00 0.00 N ATOM 977 CA LYS A 64 10.100 5.213 -12.205 1.00 0.00 C ATOM 978 C LYS A 64 9.153 5.715 -11.120 1.00 0.00 C ATOM 979 O LYS A 64 8.595 6.807 -11.229 1.00 0.00 O ATOM 980 CB LYS A 64 10.138 6.210 -13.366 1.00 0.00 C ATOM 981 CG LYS A 64 11.172 5.871 -14.425 1.00 0.00 C ATOM 982 CD LYS A 64 11.609 7.107 -15.194 1.00 0.00 C ATOM 983 CE LYS A 64 12.136 6.747 -16.574 1.00 0.00 C ATOM 984 NZ LYS A 64 12.912 7.865 -17.180 1.00 0.00 N ATOM 0 H LYS A 64 10.448 3.214 -12.732 1.00 0.00 H new ATOM 0 HA LYS A 64 11.099 5.124 -11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.153 6.250 -13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.346 7.205 -12.973 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.039 5.409 -13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.758 5.138 -15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.767 7.792 -15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.383 7.631 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.769 5.863 -16.502 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.301 6.489 -17.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.254 7.581 -18.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.301 8.702 -17.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.723 8.095 -16.571 1.00 0.00 H new ATOM 998 N GLN A 65 8.979 4.913 -10.075 1.00 0.00 N ATOM 999 CA GLN A 65 8.100 5.278 -8.970 1.00 0.00 C ATOM 1000 C GLN A 65 8.898 5.494 -7.688 1.00 0.00 C ATOM 1001 O GLN A 65 8.777 6.533 -7.038 1.00 0.00 O ATOM 1002 CB GLN A 65 7.044 4.194 -8.751 1.00 0.00 C ATOM 1003 CG GLN A 65 6.314 3.790 -10.021 1.00 0.00 C ATOM 1004 CD GLN A 65 5.348 4.855 -10.503 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.799 5.617 -9.707 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.136 4.913 -11.812 1.00 0.00 N ATOM 0 H GLN A 65 9.435 4.007 -9.970 1.00 0.00 H new ATOM 0 HA GLN A 65 7.602 6.213 -9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.523 3.314 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.317 4.549 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.043 3.585 -10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.768 2.864 -9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.613 4.261 -12.435 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.496 5.609 -12.195 1.00 0.00 H new ATOM 1015 N ILE A 66 9.713 4.507 -7.331 1.00 0.00 N ATOM 1016 CA ILE A 66 10.531 4.590 -6.127 1.00 0.00 C ATOM 1017 C ILE A 66 12.016 4.518 -6.466 1.00 0.00 C ATOM 1018 O ILE A 66 12.410 3.892 -7.450 1.00 0.00 O ATOM 1019 CB ILE A 66 10.186 3.465 -5.134 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.675 3.403 -4.903 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.920 3.677 -3.818 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.226 2.158 -4.172 1.00 0.00 C ATOM 0 H ILE A 66 9.824 3.641 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 66 10.314 5.552 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 66 10.508 2.514 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.366 4.280 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.166 3.453 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.666 2.874 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.995 3.675 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.625 4.634 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.144 2.182 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.503 1.277 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.707 2.117 -3.195 1.00 0.00 H new ATOM 1034 N LYS A 67 12.837 5.161 -5.642 1.00 0.00 N ATOM 1035 CA LYS A 67 14.280 5.167 -5.851 1.00 0.00 C ATOM 1036 C LYS A 67 14.963 4.134 -4.961 1.00 0.00 C ATOM 1037 O LYS A 67 15.847 3.403 -5.408 1.00 0.00 O ATOM 1038 CB LYS A 67 14.851 6.558 -5.566 1.00 0.00 C ATOM 1039 CG LYS A 67 14.192 7.257 -4.389 1.00 0.00 C ATOM 1040 CD LYS A 67 15.031 8.422 -3.891 1.00 0.00 C ATOM 1041 CE LYS A 67 14.632 9.724 -4.569 1.00 0.00 C ATOM 1042 NZ LYS A 67 13.468 10.365 -3.896 1.00 0.00 N ATOM 0 H LYS A 67 12.527 5.685 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 67 14.472 4.908 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.920 6.470 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.737 7.177 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.206 7.617 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.041 6.544 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.914 8.521 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.085 8.220 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.478 10.411 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.386 9.530 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.227 11.249 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.653 9.720 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.711 10.574 -2.907 1.00 0.00 H new ATOM 1056 N SER A 68 14.547 4.078 -3.700 1.00 0.00 N ATOM 1057 CA SER A 68 15.120 3.135 -2.747 1.00 0.00 C ATOM 1058 C SER A 68 14.212 2.970 -1.532 1.00 0.00 C ATOM 1059 O SER A 68 13.485 3.890 -1.157 1.00 0.00 O ATOM 1060 CB SER A 68 16.506 3.607 -2.302 1.00 0.00 C ATOM 1061 OG SER A 68 17.005 2.800 -1.249 1.00 0.00 O ATOM 0 H SER A 68 13.815 4.675 -3.315 1.00 0.00 H new ATOM 0 HA SER A 68 15.214 2.168 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.194 3.574 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.453 4.645 -1.975 1.00 0.00 H new ATOM 0 HG SER A 68 17.892 3.120 -0.984 1.00 0.00 H new ATOM 1067 N VAL A 69 14.260 1.791 -0.920 1.00 0.00 N ATOM 1068 CA VAL A 69 13.444 1.504 0.253 1.00 0.00 C ATOM 1069 C VAL A 69 13.684 2.531 1.354 1.00 0.00 C ATOM 1070 O VAL A 69 12.876 2.672 2.272 1.00 0.00 O ATOM 1071 CB VAL A 69 13.732 0.097 0.807 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.189 -0.969 -0.132 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.225 -0.091 1.033 1.00 0.00 C ATOM 0 H VAL A 69 14.856 1.019 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 69 12.403 1.554 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 69 13.226 -0.007 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.402 -1.957 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.111 -0.845 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.664 -0.870 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.411 -1.091 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.754 0.033 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.581 0.651 1.748 1.00 0.00 H new ATOM 1083 N ASP A 70 14.799 3.247 1.255 1.00 0.00 N ATOM 1084 CA ASP A 70 15.145 4.263 2.242 1.00 0.00 C ATOM 1085 C ASP A 70 14.199 5.456 2.148 1.00 0.00 C ATOM 1086 O ASP A 70 14.090 6.249 3.083 1.00 0.00 O ATOM 1087 CB ASP A 70 16.590 4.725 2.044 1.00 0.00 C ATOM 1088 CG ASP A 70 17.200 5.278 3.317 1.00 0.00 C ATOM 1089 OD1 ASP A 70 17.668 4.474 4.149 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.209 6.516 3.481 1.00 0.00 O ATOM 0 H ASP A 70 15.478 3.142 0.501 1.00 0.00 H new ATOM 0 HA ASP A 70 15.046 3.821 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.191 3.887 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.621 5.490 1.268 1.00 0.00 H new ATOM 1095 N ASP A 71 13.519 5.577 1.014 1.00 0.00 N ATOM 1096 CA ASP A 71 12.582 6.674 0.797 1.00 0.00 C ATOM 1097 C ASP A 71 11.182 6.294 1.269 1.00 0.00 C ATOM 1098 O ASP A 71 10.348 7.160 1.534 1.00 0.00 O ATOM 1099 CB ASP A 71 12.548 7.059 -0.682 1.00 0.00 C ATOM 1100 CG ASP A 71 11.786 6.055 -1.525 1.00 0.00 C ATOM 1101 OD1 ASP A 71 10.642 5.716 -1.156 1.00 0.00 O ATOM 1102 OD2 ASP A 71 12.334 5.607 -2.554 1.00 0.00 O ATOM 0 H ASP A 71 13.599 4.929 0.230 1.00 0.00 H new ATOM 0 HA ASP A 71 12.922 7.530 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.088 8.041 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.568 7.143 -1.056 1.00 0.00 H new ATOM 1107 N VAL A 72 10.931 4.992 1.372 1.00 0.00 N ATOM 1108 CA VAL A 72 9.632 4.497 1.812 1.00 0.00 C ATOM 1109 C VAL A 72 9.502 4.567 3.330 1.00 0.00 C ATOM 1110 O VAL A 72 10.357 4.067 4.059 1.00 0.00 O ATOM 1111 CB VAL A 72 9.401 3.044 1.355 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.957 2.632 1.596 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.773 2.882 -0.111 1.00 0.00 C ATOM 0 H VAL A 72 11.610 4.262 1.157 1.00 0.00 H new ATOM 0 HA VAL A 72 8.878 5.138 1.356 1.00 0.00 H new ATOM 0 HB VAL A 72 10.043 2.389 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.813 1.603 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.729 2.709 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.293 3.289 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.604 1.850 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.158 3.546 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.824 3.134 -0.250 1.00 0.00 H new ATOM 1123 N GLU A 73 8.426 5.192 3.798 1.00 0.00 N ATOM 1124 CA GLU A 73 8.185 5.328 5.229 1.00 0.00 C ATOM 1125 C GLU A 73 7.376 4.148 5.759 1.00 0.00 C ATOM 1126 O GLU A 73 6.808 3.374 4.989 1.00 0.00 O ATOM 1127 CB GLU A 73 7.449 6.637 5.523 1.00 0.00 C ATOM 1128 CG GLU A 73 7.545 7.077 6.974 1.00 0.00 C ATOM 1129 CD GLU A 73 7.047 8.493 7.189 1.00 0.00 C ATOM 1130 OE1 GLU A 73 5.815 8.693 7.208 1.00 0.00 O ATOM 1131 OE2 GLU A 73 7.891 9.401 7.339 1.00 0.00 O ATOM 0 H GLU A 73 7.708 5.612 3.207 1.00 0.00 H new ATOM 0 HA GLU A 73 9.151 5.341 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.855 7.423 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.399 6.521 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.966 6.394 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.582 7.007 7.303 1.00 0.00 H new ATOM 1138 N GLY A 74 7.329 4.016 7.082 1.00 0.00 N ATOM 1139 CA GLY A 74 6.588 2.928 7.693 1.00 0.00 C ATOM 1140 C GLY A 74 6.743 1.624 6.935 1.00 0.00 C ATOM 1141 O GLY A 74 5.874 0.753 7.002 1.00 0.00 O ATOM 0 H GLY A 74 7.791 4.643 7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.929 2.791 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.532 3.194 7.741 1.00 0.00 H new ATOM 1145 N ILE A 75 7.849 1.489 6.212 1.00 0.00 N ATOM 1146 CA ILE A 75 8.113 0.283 5.438 1.00 0.00 C ATOM 1147 C ILE A 75 8.505 -0.878 6.346 1.00 0.00 C ATOM 1148 O ILE A 75 8.243 -2.039 6.034 1.00 0.00 O ATOM 1149 CB ILE A 75 9.231 0.510 4.403 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.234 -0.616 3.368 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.582 0.605 5.096 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.069 -0.309 2.144 1.00 0.00 C ATOM 0 H ILE A 75 8.577 2.200 6.146 1.00 0.00 H new ATOM 0 HA ILE A 75 7.189 0.037 4.914 1.00 0.00 H new ATOM 0 HB ILE A 75 9.043 1.451 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.609 -1.527 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.208 -0.816 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.362 0.765 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.573 1.439 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.780 -0.321 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.025 -1.151 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.681 0.584 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.103 -0.138 2.443 1.00 0.00 H new ATOM 1164 N GLU A 76 9.133 -0.555 7.473 1.00 0.00 N ATOM 1165 CA GLU A 76 9.560 -1.572 8.427 1.00 0.00 C ATOM 1166 C GLU A 76 8.360 -2.190 9.137 1.00 0.00 C ATOM 1167 O GLU A 76 8.484 -3.207 9.818 1.00 0.00 O ATOM 1168 CB GLU A 76 10.519 -0.967 9.455 1.00 0.00 C ATOM 1169 CG GLU A 76 9.887 0.116 10.313 1.00 0.00 C ATOM 1170 CD GLU A 76 10.520 0.213 11.688 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.671 -0.837 12.347 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.864 1.339 12.104 1.00 0.00 O ATOM 0 H GLU A 76 9.357 0.402 7.747 1.00 0.00 H new ATOM 0 HA GLU A 76 10.077 -2.357 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.892 -1.760 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.381 -0.549 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.979 1.076 9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.821 -0.086 10.421 1.00 0.00 H new ATOM 1179 N SER A 77 7.197 -1.567 8.972 1.00 0.00 N ATOM 1180 CA SER A 77 5.974 -2.053 9.600 1.00 0.00 C ATOM 1181 C SER A 77 5.244 -3.031 8.685 1.00 0.00 C ATOM 1182 O SER A 77 4.316 -3.722 9.108 1.00 0.00 O ATOM 1183 CB SER A 77 5.055 -0.881 9.950 1.00 0.00 C ATOM 1184 OG SER A 77 3.965 -1.308 10.749 1.00 0.00 O ATOM 0 H SER A 77 7.076 -0.725 8.409 1.00 0.00 H new ATOM 0 HA SER A 77 6.249 -2.576 10.516 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.622 -0.117 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.681 -0.422 9.035 1.00 0.00 H new ATOM 0 HG SER A 77 3.730 -2.231 10.516 1.00 0.00 H new ATOM 1190 N LEU A 78 5.669 -3.084 7.427 1.00 0.00 N ATOM 1191 CA LEU A 78 5.057 -3.977 6.449 1.00 0.00 C ATOM 1192 C LEU A 78 5.584 -5.400 6.607 1.00 0.00 C ATOM 1193 O LEU A 78 6.733 -5.607 6.998 1.00 0.00 O ATOM 1194 CB LEU A 78 5.329 -3.474 5.030 1.00 0.00 C ATOM 1195 CG LEU A 78 5.181 -1.968 4.812 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.525 -1.601 3.377 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.769 -1.516 5.156 1.00 0.00 C ATOM 0 H LEU A 78 6.435 -2.519 7.060 1.00 0.00 H new ATOM 0 HA LEU A 78 3.981 -3.986 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.342 -3.763 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.652 -3.988 4.348 1.00 0.00 H new ATOM 0 HG LEU A 78 5.877 -1.454 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.414 -0.525 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.554 -1.890 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.853 -2.125 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.682 -0.441 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.055 -2.038 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.558 -1.745 6.201 1.00 0.00 H new ATOM 1209 N ARG A 79 4.738 -6.376 6.297 1.00 0.00 N ATOM 1210 CA ARG A 79 5.118 -7.779 6.403 1.00 0.00 C ATOM 1211 C ARG A 79 6.367 -8.068 5.575 1.00 0.00 C ATOM 1212 O ARG A 79 6.556 -7.499 4.500 1.00 0.00 O ATOM 1213 CB ARG A 79 3.969 -8.678 5.943 1.00 0.00 C ATOM 1214 CG ARG A 79 2.935 -8.948 7.024 1.00 0.00 C ATOM 1215 CD ARG A 79 1.697 -9.623 6.456 1.00 0.00 C ATOM 1216 NE ARG A 79 1.024 -8.788 5.465 1.00 0.00 N ATOM 1217 CZ ARG A 79 -0.260 -8.911 5.150 1.00 0.00 C ATOM 1218 NH1 ARG A 79 -1.007 -9.830 5.746 1.00 0.00 N ATOM 1219 NH2 ARG A 79 -0.801 -8.113 4.238 1.00 0.00 N ATOM 0 H ARG A 79 3.784 -6.221 5.970 1.00 0.00 H new ATOM 0 HA ARG A 79 5.339 -7.991 7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.476 -8.214 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.378 -9.628 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.372 -9.579 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.652 -8.010 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.979 -10.572 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.005 -9.852 7.266 1.00 0.00 H new ATOM 0 HE ARG A 79 1.570 -8.071 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.596 -10.445 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.993 -9.922 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.230 -7.404 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.788 -8.209 3.997 1.00 0.00 H new ATOM 1233 N TRP A 80 7.215 -8.955 6.084 1.00 0.00 N ATOM 1234 CA TRP A 80 8.446 -9.318 5.391 1.00 0.00 C ATOM 1235 C TRP A 80 8.225 -9.382 3.884 1.00 0.00 C ATOM 1236 O TRP A 80 8.928 -8.725 3.117 1.00 0.00 O ATOM 1237 CB TRP A 80 8.963 -10.665 5.900 1.00 0.00 C ATOM 1238 CG TRP A 80 9.883 -11.351 4.936 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.118 -10.925 4.538 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.640 -12.583 4.249 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.657 -11.818 3.644 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.771 -12.845 3.450 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.579 -13.492 4.231 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 10.867 -13.976 2.644 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.675 -14.614 3.430 1.00 0.00 C ATOM 1246 CH2 TRP A 80 9.813 -14.848 2.646 1.00 0.00 C ATOM 0 H TRP A 80 7.073 -9.435 6.973 1.00 0.00 H new ATOM 0 HA TRP A 80 9.190 -8.548 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.486 -10.512 6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.114 -11.317 6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.600 -10.020 4.876 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.570 -11.731 3.197 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.699 -13.321 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.743 -14.159 2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.860 -15.322 3.408 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.859 -15.735 2.031 1.00 0.00 H new ATOM 1257 N GLU A 81 7.243 -10.176 3.467 1.00 0.00 N ATOM 1258 CA GLU A 81 6.931 -10.324 2.051 1.00 0.00 C ATOM 1259 C GLU A 81 6.743 -8.961 1.389 1.00 0.00 C ATOM 1260 O GLU A 81 7.217 -8.728 0.277 1.00 0.00 O ATOM 1261 CB GLU A 81 5.669 -11.169 1.869 1.00 0.00 C ATOM 1262 CG GLU A 81 4.380 -10.395 2.092 1.00 0.00 C ATOM 1263 CD GLU A 81 3.145 -11.212 1.765 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.032 -12.346 2.276 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.292 -10.717 0.999 1.00 0.00 O ATOM 0 H GLU A 81 6.651 -10.726 4.090 1.00 0.00 H new ATOM 0 HA GLU A 81 7.770 -10.829 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.663 -11.585 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.702 -12.010 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.331 -10.070 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.390 -9.496 1.476 1.00 0.00 H new ATOM 1272 N ASP A 82 6.048 -8.066 2.081 1.00 0.00 N ATOM 1273 CA ASP A 82 5.797 -6.726 1.563 1.00 0.00 C ATOM 1274 C ASP A 82 7.101 -5.952 1.404 1.00 0.00 C ATOM 1275 O ASP A 82 7.387 -5.411 0.337 1.00 0.00 O ATOM 1276 CB ASP A 82 4.848 -5.966 2.491 1.00 0.00 C ATOM 1277 CG ASP A 82 3.479 -6.612 2.574 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.250 -7.612 1.861 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.636 -6.119 3.352 1.00 0.00 O ATOM 0 H ASP A 82 5.648 -8.244 3.002 1.00 0.00 H new ATOM 0 HA ASP A 82 5.332 -6.824 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.284 -5.915 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.742 -4.941 2.137 1.00 0.00 H new ATOM 1284 N GLN A 83 7.888 -5.902 2.475 1.00 0.00 N ATOM 1285 CA GLN A 83 9.161 -5.192 2.454 1.00 0.00 C ATOM 1286 C GLN A 83 10.030 -5.665 1.293 1.00 0.00 C ATOM 1287 O GLN A 83 10.812 -4.894 0.738 1.00 0.00 O ATOM 1288 CB GLN A 83 9.903 -5.393 3.776 1.00 0.00 C ATOM 1289 CG GLN A 83 9.123 -4.917 4.991 1.00 0.00 C ATOM 1290 CD GLN A 83 10.011 -4.660 6.192 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.096 -4.091 6.066 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.556 -5.080 7.366 1.00 0.00 N ATOM 0 H GLN A 83 7.666 -6.344 3.367 1.00 0.00 H new ATOM 0 HA GLN A 83 8.953 -4.130 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.135 -6.451 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.854 -4.861 3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.587 -4.002 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.373 -5.664 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.651 -5.547 7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.111 -4.936 8.209 1.00 0.00 H new ATOM 1301 N GLN A 84 9.886 -6.936 0.932 1.00 0.00 N ATOM 1302 CA GLN A 84 10.658 -7.511 -0.163 1.00 0.00 C ATOM 1303 C GLN A 84 10.215 -6.935 -1.503 1.00 0.00 C ATOM 1304 O GLN A 84 11.036 -6.688 -2.387 1.00 0.00 O ATOM 1305 CB GLN A 84 10.510 -9.033 -0.174 1.00 0.00 C ATOM 1306 CG GLN A 84 10.978 -9.700 1.109 1.00 0.00 C ATOM 1307 CD GLN A 84 12.446 -10.076 1.071 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.247 -9.577 1.861 1.00 0.00 O ATOM 1309 NE2 GLN A 84 12.806 -10.961 0.149 1.00 0.00 N ATOM 0 H GLN A 84 9.242 -7.587 1.382 1.00 0.00 H new ATOM 0 HA GLN A 84 11.706 -7.256 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.464 -9.287 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.077 -9.439 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.801 -9.028 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.382 -10.595 1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.108 -11.349 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.781 -11.253 0.075 1.00 0.00 H new ATOM 1318 N LYS A 85 8.911 -6.722 -1.648 1.00 0.00 N ATOM 1319 CA LYS A 85 8.357 -6.174 -2.881 1.00 0.00 C ATOM 1320 C LYS A 85 8.956 -4.805 -3.185 1.00 0.00 C ATOM 1321 O LYS A 85 9.019 -4.388 -4.341 1.00 0.00 O ATOM 1322 CB LYS A 85 6.835 -6.065 -2.775 1.00 0.00 C ATOM 1323 CG LYS A 85 6.134 -7.408 -2.673 1.00 0.00 C ATOM 1324 CD LYS A 85 4.635 -7.242 -2.483 1.00 0.00 C ATOM 1325 CE LYS A 85 4.031 -8.433 -1.754 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.551 -8.485 -1.910 1.00 0.00 N ATOM 0 H LYS A 85 8.218 -6.921 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 85 8.611 -6.851 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.582 -5.466 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.456 -5.532 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.325 -7.989 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.547 -7.973 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.437 -6.330 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.154 -7.127 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.469 -9.354 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.283 -8.377 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.177 -9.310 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.130 -7.617 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.311 -8.564 -2.919 1.00 0.00 H new ATOM 1340 N ILE A 86 9.395 -4.111 -2.140 1.00 0.00 N ATOM 1341 CA ILE A 86 9.991 -2.790 -2.296 1.00 0.00 C ATOM 1342 C ILE A 86 11.453 -2.893 -2.720 1.00 0.00 C ATOM 1343 O ILE A 86 11.818 -2.497 -3.827 1.00 0.00 O ATOM 1344 CB ILE A 86 9.902 -1.974 -0.993 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.515 -2.124 -0.366 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.212 -0.509 -1.263 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.420 -1.431 -1.147 1.00 0.00 C ATOM 0 H ILE A 86 9.349 -4.442 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 86 9.425 -2.278 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 86 10.641 -2.358 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.276 -3.184 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.538 -1.722 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.145 0.055 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.219 -0.419 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.494 -0.111 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.464 -1.580 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.636 -0.364 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.370 -1.849 -2.152 1.00 0.00 H new ATOM 1359 N ARG A 87 12.284 -3.429 -1.832 1.00 0.00 N ATOM 1360 CA ARG A 87 13.706 -3.585 -2.114 1.00 0.00 C ATOM 1361 C ARG A 87 13.921 -4.337 -3.424 1.00 0.00 C ATOM 1362 O ARG A 87 14.785 -3.977 -4.224 1.00 0.00 O ATOM 1363 CB ARG A 87 14.396 -4.328 -0.968 1.00 0.00 C ATOM 1364 CG ARG A 87 13.658 -5.581 -0.523 1.00 0.00 C ATOM 1365 CD ARG A 87 13.825 -5.825 0.969 1.00 0.00 C ATOM 1366 NE ARG A 87 14.948 -6.713 1.256 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.278 -7.109 2.480 1.00 0.00 C ATOM 1368 NH1 ARG A 87 14.572 -6.699 3.525 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.314 -7.918 2.661 1.00 0.00 N ATOM 0 H ARG A 87 11.997 -3.762 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 87 14.143 -2.591 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.404 -4.601 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.496 -3.654 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.599 -5.485 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.032 -6.441 -1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.977 -4.873 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.909 -6.258 1.370 1.00 0.00 H new ATOM 0 HE ARG A 87 15.510 -7.048 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.774 -6.078 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.827 -7.004 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.858 -8.237 1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.566 -8.221 3.602 1.00 0.00 H new ATOM 1383 N LYS A 88 13.130 -5.383 -3.637 1.00 0.00 N ATOM 1384 CA LYS A 88 13.232 -6.185 -4.850 1.00 0.00 C ATOM 1385 C LYS A 88 12.749 -5.399 -6.065 1.00 0.00 C ATOM 1386 O LYS A 88 12.775 -5.899 -7.190 1.00 0.00 O ATOM 1387 CB LYS A 88 12.417 -7.472 -4.705 1.00 0.00 C ATOM 1388 CG LYS A 88 12.803 -8.304 -3.494 1.00 0.00 C ATOM 1389 CD LYS A 88 13.941 -9.259 -3.813 1.00 0.00 C ATOM 1390 CE LYS A 88 14.276 -10.145 -2.623 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.470 -10.995 -2.883 1.00 0.00 N ATOM 0 H LYS A 88 12.411 -5.695 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 88 14.281 -6.441 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.359 -7.217 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.543 -8.075 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.098 -7.645 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.938 -8.870 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.667 -9.881 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.824 -8.690 -4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.457 -9.523 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.421 -10.781 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.665 -11.584 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.288 -11.607 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.292 -10.389 -3.079 1.00 0.00 H new ATOM 1405 N TYR A 89 12.310 -4.168 -5.831 1.00 0.00 N ATOM 1406 CA TYR A 89 11.821 -3.313 -6.906 1.00 0.00 C ATOM 1407 C TYR A 89 12.776 -2.150 -7.156 1.00 0.00 C ATOM 1408 O TYR A 89 12.982 -1.734 -8.296 1.00 0.00 O ATOM 1409 CB TYR A 89 10.428 -2.780 -6.568 1.00 0.00 C ATOM 1410 CG TYR A 89 10.028 -1.571 -7.383 1.00 0.00 C ATOM 1411 CD1 TYR A 89 10.610 -0.330 -7.154 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.067 -1.669 -8.382 1.00 0.00 C ATOM 1413 CE1 TYR A 89 10.247 0.777 -7.896 1.00 0.00 C ATOM 1414 CE2 TYR A 89 8.699 -0.567 -9.130 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.292 0.654 -8.882 1.00 0.00 C ATOM 1416 OH TYR A 89 8.928 1.754 -9.624 1.00 0.00 O ATOM 0 H TYR A 89 12.283 -3.739 -4.906 1.00 0.00 H new ATOM 0 HA TYR A 89 11.763 -3.913 -7.814 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.697 -3.573 -6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.394 -2.522 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.359 -0.229 -6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.600 -2.623 -8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.709 1.734 -7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.952 -0.661 -9.904 1.00 0.00 H new ATOM 0 HH TYR A 89 8.244 1.496 -10.277 1.00 0.00 H new ATOM 1426 N VAL A 90 13.357 -1.629 -6.080 1.00 0.00 N ATOM 1427 CA VAL A 90 14.292 -0.515 -6.180 1.00 0.00 C ATOM 1428 C VAL A 90 15.676 -0.995 -6.604 1.00 0.00 C ATOM 1429 O VAL A 90 16.476 -0.224 -7.133 1.00 0.00 O ATOM 1430 CB VAL A 90 14.411 0.241 -4.843 1.00 0.00 C ATOM 1431 CG1 VAL A 90 13.218 1.163 -4.643 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.537 -0.740 -3.687 1.00 0.00 C ATOM 0 H VAL A 90 13.197 -1.961 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 90 13.897 0.162 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 90 15.312 0.854 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.319 1.689 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.178 1.888 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.301 0.575 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.620 -0.189 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.655 -1.380 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.426 -1.355 -3.827 1.00 0.00 H new ATOM 1442 N GLU A 91 15.950 -2.274 -6.368 1.00 0.00 N ATOM 1443 CA GLU A 91 17.238 -2.857 -6.726 1.00 0.00 C ATOM 1444 C GLU A 91 17.273 -3.234 -8.204 1.00 0.00 C ATOM 1445 O GLU A 91 18.224 -2.910 -8.916 1.00 0.00 O ATOM 1446 CB GLU A 91 17.521 -4.092 -5.867 1.00 0.00 C ATOM 1447 CG GLU A 91 17.774 -3.770 -4.404 1.00 0.00 C ATOM 1448 CD GLU A 91 19.179 -3.255 -4.155 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.547 -2.224 -4.755 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.909 -3.883 -3.360 1.00 0.00 O ATOM 0 H GLU A 91 15.298 -2.926 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 91 18.010 -2.110 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.675 -4.776 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.388 -4.614 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.053 -3.024 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.607 -4.665 -3.805 1.00 0.00 H new ATOM 1457 N SER A 92 16.230 -3.920 -8.659 1.00 0.00 N ATOM 1458 CA SER A 92 16.142 -4.346 -10.051 1.00 0.00 C ATOM 1459 C SER A 92 15.128 -3.500 -10.814 1.00 0.00 C ATOM 1460 O SER A 92 15.358 -3.118 -11.961 1.00 0.00 O ATOM 1461 CB SER A 92 15.755 -5.824 -10.131 1.00 0.00 C ATOM 1462 OG SER A 92 15.590 -6.235 -11.477 1.00 0.00 O ATOM 0 H SER A 92 15.433 -4.193 -8.084 1.00 0.00 H new ATOM 0 HA SER A 92 17.121 -4.210 -10.510 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.524 -6.431 -9.654 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.829 -5.991 -9.580 1.00 0.00 H new ATOM 0 HG SER A 92 15.344 -7.183 -11.502 1.00 0.00 H new ATOM 1468 N GLY A 93 14.002 -3.211 -10.168 1.00 0.00 N ATOM 1469 CA GLY A 93 12.968 -2.413 -10.801 1.00 0.00 C ATOM 1470 C GLY A 93 13.371 -0.961 -10.958 1.00 0.00 C ATOM 1471 O GLY A 93 14.436 -0.661 -11.497 1.00 0.00 O ATOM 0 H GLY A 93 13.788 -3.515 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.740 -2.831 -11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.055 -2.471 -10.209 1.00 0.00 H new ATOM 1475 N ALA A 94 12.518 -0.057 -10.489 1.00 0.00 N ATOM 1476 CA ALA A 94 12.792 1.372 -10.580 1.00 0.00 C ATOM 1477 C ALA A 94 13.635 1.846 -9.401 1.00 0.00 C ATOM 1478 O ALA A 94 13.207 1.774 -8.250 1.00 0.00 O ATOM 1479 CB ALA A 94 11.490 2.156 -10.648 1.00 0.00 C ATOM 0 H ALA A 94 11.631 -0.289 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 94 13.359 1.550 -11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.710 3.221 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.924 1.846 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.902 1.963 -9.751 1.00 0.00 H new ATOM 1485 N GLY A 95 14.838 2.330 -9.696 1.00 0.00 N ATOM 1486 CA GLY A 95 15.723 2.807 -8.650 1.00 0.00 C ATOM 1487 C GLY A 95 16.799 3.735 -9.178 1.00 0.00 C ATOM 1488 O GLY A 95 16.519 4.878 -9.540 1.00 0.00 O ATOM 0 H GLY A 95 15.215 2.400 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.137 3.329 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.192 1.955 -8.159 1.00 0.00 H new ATOM 1492 N SER A 96 18.033 3.243 -9.222 1.00 0.00 N ATOM 1493 CA SER A 96 19.156 4.038 -9.706 1.00 0.00 C ATOM 1494 C SER A 96 18.819 4.701 -11.038 1.00 0.00 C ATOM 1495 O SER A 96 17.990 4.204 -11.799 1.00 0.00 O ATOM 1496 CB SER A 96 20.400 3.161 -9.860 1.00 0.00 C ATOM 1497 OG SER A 96 21.584 3.928 -9.730 1.00 0.00 O ATOM 0 H SER A 96 18.281 2.298 -8.929 1.00 0.00 H new ATOM 0 HA SER A 96 19.359 4.819 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 96 20.389 2.373 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.385 2.671 -10.834 1.00 0.00 H new ATOM 0 HG SER A 96 22.365 3.344 -9.831 1.00 0.00 H new ATOM 1503 N ASN A 97 19.468 5.827 -11.312 1.00 0.00 N ATOM 1504 CA ASN A 97 19.238 6.560 -12.552 1.00 0.00 C ATOM 1505 C ASN A 97 19.782 5.787 -13.750 1.00 0.00 C ATOM 1506 O ASN A 97 20.995 5.661 -13.923 1.00 0.00 O ATOM 1507 CB ASN A 97 19.893 7.941 -12.482 1.00 0.00 C ATOM 1508 CG ASN A 97 19.638 8.766 -13.729 1.00 0.00 C ATOM 1509 OD1 ASN A 97 19.318 8.227 -14.788 1.00 0.00 O ATOM 1510 ND2 ASN A 97 19.779 10.081 -13.607 1.00 0.00 N ATOM 0 H ASN A 97 20.158 6.252 -10.692 1.00 0.00 H new ATOM 0 HA ASN A 97 18.162 6.682 -12.678 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.514 8.476 -11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.967 7.824 -12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 97 19.620 10.688 -14.411 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.046 10.484 -12.709 1.00 0.00 H new ATOM 1517 N THR A 98 18.877 5.272 -14.576 1.00 0.00 N ATOM 1518 CA THR A 98 19.265 4.511 -15.757 1.00 0.00 C ATOM 1519 C THR A 98 19.481 5.429 -16.955 1.00 0.00 C ATOM 1520 O THR A 98 20.450 5.277 -17.698 1.00 0.00 O ATOM 1521 CB THR A 98 18.203 3.455 -16.118 1.00 0.00 C ATOM 1522 OG1 THR A 98 16.935 4.086 -16.328 1.00 0.00 O ATOM 1523 CG2 THR A 98 18.081 2.413 -15.017 1.00 0.00 C ATOM 0 H THR A 98 17.870 5.368 -14.449 1.00 0.00 H new ATOM 0 HA THR A 98 20.201 4.007 -15.516 1.00 0.00 H new ATOM 0 HB THR A 98 18.516 2.956 -17.036 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.266 3.408 -16.559 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.325 1.678 -15.294 1.00 0.00 H new ATOM 0 HG22 THR A 98 19.040 1.914 -14.881 1.00 0.00 H new ATOM 0 HG23 THR A 98 17.790 2.900 -14.086 1.00 0.00 H new ATOM 1531 N SER A 99 18.572 6.381 -17.137 1.00 0.00 N ATOM 1532 CA SER A 99 18.662 7.322 -18.247 1.00 0.00 C ATOM 1533 C SER A 99 17.606 8.416 -18.120 1.00 0.00 C ATOM 1534 O SER A 99 16.474 8.158 -17.709 1.00 0.00 O ATOM 1535 CB SER A 99 18.495 6.588 -19.579 1.00 0.00 C ATOM 1536 OG SER A 99 18.949 7.384 -20.660 1.00 0.00 O ATOM 0 H SER A 99 17.764 6.521 -16.530 1.00 0.00 H new ATOM 0 HA SER A 99 19.647 7.788 -18.217 1.00 0.00 H new ATOM 0 HB2 SER A 99 19.052 5.651 -19.554 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.446 6.331 -19.728 1.00 0.00 H new ATOM 0 HG SER A 99 18.833 6.892 -21.500 1.00 0.00 H new ATOM 1542 N THR A 100 17.984 9.639 -18.476 1.00 0.00 N ATOM 1543 CA THR A 100 17.072 10.774 -18.401 1.00 0.00 C ATOM 1544 C THR A 100 16.064 10.595 -17.271 1.00 0.00 C ATOM 1545 O THR A 100 14.859 10.748 -17.471 1.00 0.00 O ATOM 1546 CB THR A 100 16.311 10.971 -19.726 1.00 0.00 C ATOM 1547 OG1 THR A 100 15.494 12.145 -19.651 1.00 0.00 O ATOM 1548 CG2 THR A 100 15.443 9.761 -20.036 1.00 0.00 C ATOM 0 H THR A 100 18.916 9.870 -18.820 1.00 0.00 H new ATOM 0 HA THR A 100 17.681 11.657 -18.205 1.00 0.00 H new ATOM 0 HB THR A 100 17.042 11.088 -20.526 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.843 12.045 -18.925 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.915 9.923 -20.976 1.00 0.00 H new ATOM 0 HG22 THR A 100 16.071 8.874 -20.121 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.719 9.617 -19.234 1.00 0.00 H new ATOM 1556 N SER A 101 16.565 10.271 -16.083 1.00 0.00 N ATOM 1557 CA SER A 101 15.708 10.069 -14.921 1.00 0.00 C ATOM 1558 C SER A 101 15.038 11.376 -14.506 1.00 0.00 C ATOM 1559 O SER A 101 15.705 12.389 -14.294 1.00 0.00 O ATOM 1560 CB SER A 101 16.520 9.505 -13.754 1.00 0.00 C ATOM 1561 OG SER A 101 15.703 8.731 -12.892 1.00 0.00 O ATOM 0 H SER A 101 17.560 10.143 -15.900 1.00 0.00 H new ATOM 0 HA SER A 101 14.932 9.354 -15.193 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.335 8.891 -14.137 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.974 10.322 -13.194 1.00 0.00 H new ATOM 0 HG SER A 101 16.245 8.380 -12.155 1.00 0.00 H new ATOM 1567 N THR A 102 13.714 11.345 -14.391 1.00 0.00 N ATOM 1568 CA THR A 102 12.953 12.525 -14.003 1.00 0.00 C ATOM 1569 C THR A 102 13.026 12.756 -12.498 1.00 0.00 C ATOM 1570 O THR A 102 13.552 11.926 -11.758 1.00 0.00 O ATOM 1571 CB THR A 102 11.475 12.403 -14.421 1.00 0.00 C ATOM 1572 OG1 THR A 102 10.842 11.353 -13.682 1.00 0.00 O ATOM 1573 CG2 THR A 102 11.356 12.125 -15.912 1.00 0.00 C ATOM 0 H THR A 102 13.147 10.515 -14.561 1.00 0.00 H new ATOM 0 HA THR A 102 13.400 13.374 -14.520 1.00 0.00 H new ATOM 0 HB THR A 102 10.979 13.349 -14.203 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.903 11.283 -13.952 1.00 0.00 H new ATOM 0 HG21 THR A 102 10.304 12.043 -16.184 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.813 12.941 -16.472 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.866 11.192 -16.150 1.00 0.00 H new ATOM 1581 N GLY A 103 12.493 13.889 -12.051 1.00 0.00 N ATOM 1582 CA GLY A 103 12.508 14.208 -10.635 1.00 0.00 C ATOM 1583 C GLY A 103 12.444 15.700 -10.376 1.00 0.00 C ATOM 1584 O GLY A 103 13.334 16.268 -9.742 1.00 0.00 O ATOM 0 H GLY A 103 12.051 14.592 -12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 103 11.664 13.721 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.414 13.803 -10.184 1.00 0.00 H new ATOM 1588 N THR A 104 11.388 16.340 -10.869 1.00 0.00 N ATOM 1589 CA THR A 104 11.211 17.775 -10.690 1.00 0.00 C ATOM 1590 C THR A 104 9.759 18.116 -10.376 1.00 0.00 C ATOM 1591 O THR A 104 8.882 17.256 -10.442 1.00 0.00 O ATOM 1592 CB THR A 104 11.650 18.556 -11.944 1.00 0.00 C ATOM 1593 OG1 THR A 104 10.909 18.108 -13.084 1.00 0.00 O ATOM 1594 CG2 THR A 104 13.139 18.377 -12.199 1.00 0.00 C ATOM 0 H THR A 104 10.642 15.886 -11.396 1.00 0.00 H new ATOM 0 HA THR A 104 11.840 18.068 -9.849 1.00 0.00 H new ATOM 0 HB THR A 104 11.451 19.614 -11.774 1.00 0.00 H new ATOM 0 HG1 THR A 104 11.192 18.610 -13.876 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.426 18.937 -13.089 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.702 18.745 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.358 17.320 -12.350 1.00 0.00 H new ATOM 1602 N SER A 105 9.513 19.377 -10.034 1.00 0.00 N ATOM 1603 CA SER A 105 8.166 19.831 -9.707 1.00 0.00 C ATOM 1604 C SER A 105 7.159 19.332 -10.738 1.00 0.00 C ATOM 1605 O SER A 105 7.487 19.158 -11.912 1.00 0.00 O ATOM 1606 CB SER A 105 8.124 21.359 -9.634 1.00 0.00 C ATOM 1607 OG SER A 105 6.941 21.806 -8.994 1.00 0.00 O ATOM 0 H SER A 105 10.228 20.102 -9.976 1.00 0.00 H new ATOM 0 HA SER A 105 7.897 19.420 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.996 21.724 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.177 21.776 -10.640 1.00 0.00 H new ATOM 0 HG SER A 105 6.939 22.785 -8.958 1.00 0.00 H new ATOM 1613 N THR A 106 5.928 19.102 -10.290 1.00 0.00 N ATOM 1614 CA THR A 106 4.872 18.621 -11.171 1.00 0.00 C ATOM 1615 C THR A 106 3.703 19.598 -11.212 1.00 0.00 C ATOM 1616 O THR A 106 2.951 19.722 -10.245 1.00 0.00 O ATOM 1617 CB THR A 106 4.356 17.239 -10.728 1.00 0.00 C ATOM 1618 OG1 THR A 106 4.049 17.256 -9.329 1.00 0.00 O ATOM 1619 CG2 THR A 106 5.388 16.159 -11.012 1.00 0.00 C ATOM 0 H THR A 106 5.639 19.241 -9.322 1.00 0.00 H new ATOM 0 HA THR A 106 5.306 18.536 -12.167 1.00 0.00 H new ATOM 0 HB THR A 106 3.453 17.014 -11.295 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.585 18.090 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.001 15.192 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.598 16.129 -12.081 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.306 16.381 -10.468 1.00 0.00 H new ATOM 1627 N SER A 107 3.554 20.290 -12.337 1.00 0.00 N ATOM 1628 CA SER A 107 2.478 21.260 -12.502 1.00 0.00 C ATOM 1629 C SER A 107 1.117 20.600 -12.300 1.00 0.00 C ATOM 1630 O SER A 107 0.761 19.657 -13.008 1.00 0.00 O ATOM 1631 CB SER A 107 2.546 21.898 -13.891 1.00 0.00 C ATOM 1632 OG SER A 107 2.369 20.928 -14.908 1.00 0.00 O ATOM 0 H SER A 107 4.165 20.197 -13.148 1.00 0.00 H new ATOM 0 HA SER A 107 2.603 22.036 -11.747 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.778 22.666 -13.979 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.508 22.393 -14.020 1.00 0.00 H new ATOM 0 HG SER A 107 1.758 20.230 -14.592 1.00 0.00 H new ATOM 1638 N SER A 108 0.361 21.102 -11.329 1.00 0.00 N ATOM 1639 CA SER A 108 -0.959 20.560 -11.030 1.00 0.00 C ATOM 1640 C SER A 108 -1.972 21.681 -10.819 1.00 0.00 C ATOM 1641 O SER A 108 -1.691 22.666 -10.135 1.00 0.00 O ATOM 1642 CB SER A 108 -0.899 19.671 -9.787 1.00 0.00 C ATOM 1643 OG SER A 108 -1.978 18.753 -9.763 1.00 0.00 O ATOM 0 H SER A 108 0.640 21.883 -10.736 1.00 0.00 H new ATOM 0 HA SER A 108 -1.279 19.960 -11.882 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.045 19.127 -9.771 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.925 20.291 -8.891 1.00 0.00 H new ATOM 0 HG SER A 108 -1.915 18.196 -8.959 1.00 0.00 H new ATOM 1649 N SER A 109 -3.151 21.524 -11.412 1.00 0.00 N ATOM 1650 CA SER A 109 -4.206 22.525 -11.293 1.00 0.00 C ATOM 1651 C SER A 109 -5.108 22.224 -10.100 1.00 0.00 C ATOM 1652 O SER A 109 -5.061 21.134 -9.531 1.00 0.00 O ATOM 1653 CB SER A 109 -5.038 22.574 -12.576 1.00 0.00 C ATOM 1654 OG SER A 109 -6.036 23.577 -12.497 1.00 0.00 O ATOM 0 H SER A 109 -3.400 20.714 -11.979 1.00 0.00 H new ATOM 0 HA SER A 109 -3.736 23.496 -11.135 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.387 22.770 -13.428 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.505 21.604 -12.748 1.00 0.00 H new ATOM 0 HG SER A 109 -6.553 23.590 -13.329 1.00 0.00 H new ATOM 1660 N GLY A 110 -5.929 23.200 -9.726 1.00 0.00 N ATOM 1661 CA GLY A 110 -6.831 23.022 -8.602 1.00 0.00 C ATOM 1662 C GLY A 110 -7.069 24.310 -7.840 1.00 0.00 C ATOM 1663 O GLY A 110 -6.405 24.599 -6.845 1.00 0.00 O ATOM 0 H GLY A 110 -5.986 24.111 -10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.784 22.636 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -6.419 22.274 -7.925 1.00 0.00 H new ATOM 1667 N PRO A 111 -8.037 25.110 -8.310 1.00 0.00 N ATOM 1668 CA PRO A 111 -8.383 26.388 -7.682 1.00 0.00 C ATOM 1669 C PRO A 111 -9.059 26.204 -6.327 1.00 0.00 C ATOM 1670 O PRO A 111 -9.432 27.177 -5.671 1.00 0.00 O ATOM 1671 CB PRO A 111 -9.353 27.024 -8.681 1.00 0.00 C ATOM 1672 CG PRO A 111 -9.948 25.873 -9.416 1.00 0.00 C ATOM 1673 CD PRO A 111 -8.870 24.828 -9.492 1.00 0.00 C ATOM 0 HA PRO A 111 -7.500 26.994 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.120 27.608 -8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.835 27.702 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -10.826 25.490 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.272 26.172 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.284 23.820 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.297 24.908 -10.416 1.00 0.00 H new ATOM 1681 N SER A 112 -9.212 24.950 -5.913 1.00 0.00 N ATOM 1682 CA SER A 112 -9.846 24.639 -4.637 1.00 0.00 C ATOM 1683 C SER A 112 -8.800 24.459 -3.541 1.00 0.00 C ATOM 1684 O SER A 112 -7.740 23.876 -3.768 1.00 0.00 O ATOM 1685 CB SER A 112 -10.694 23.372 -4.761 1.00 0.00 C ATOM 1686 OG SER A 112 -9.919 22.283 -5.233 1.00 0.00 O ATOM 0 H SER A 112 -8.906 24.134 -6.442 1.00 0.00 H new ATOM 0 HA SER A 112 -10.491 25.475 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.125 23.123 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.526 23.553 -5.442 1.00 0.00 H new ATOM 0 HG SER A 112 -10.484 21.485 -5.302 1.00 0.00 H new ATOM 1692 N SER A 113 -9.107 24.965 -2.351 1.00 0.00 N ATOM 1693 CA SER A 113 -8.193 24.865 -1.219 1.00 0.00 C ATOM 1694 C SER A 113 -8.941 24.464 0.049 1.00 0.00 C ATOM 1695 O SER A 113 -10.160 24.604 0.135 1.00 0.00 O ATOM 1696 CB SER A 113 -7.471 26.196 -1.000 1.00 0.00 C ATOM 1697 OG SER A 113 -8.311 27.130 -0.344 1.00 0.00 O ATOM 0 H SER A 113 -9.981 25.448 -2.146 1.00 0.00 H new ATOM 0 HA SER A 113 -7.457 24.094 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.571 26.032 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.151 26.602 -1.960 1.00 0.00 H new ATOM 0 HG SER A 113 -7.826 27.972 -0.214 1.00 0.00 H new ATOM 1703 N GLY A 114 -8.199 23.963 1.033 1.00 0.00 N ATOM 1704 CA GLY A 114 -8.808 23.549 2.284 1.00 0.00 C ATOM 1705 C GLY A 114 -7.927 23.843 3.482 1.00 0.00 C ATOM 1706 O GLY A 114 -6.709 23.914 3.328 1.00 0.00 O ATOM 0 H GLY A 114 -7.188 23.837 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.764 24.059 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.019 22.480 2.246 1.00 0.00 H new TER 1710 GLY A 114 HETATM 1711 ZN ZN A 200 -5.131 -0.275 -7.158 1.00 0.00 ZN