USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1079 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 TYR OH : rot 14:sc= -0.071 USER MOD Set 1.2: A 130 MET CE :methyl -106:sc= -4.11! (180deg=-8.2!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0.721 USER MOD Set 2.2: A 100 SER OG : rot -19:sc= 1.91 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.785 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 153:sc= 1.97 (180deg=0.881) USER MOD Set 4.1: A 47 CYS SG : rot -25:sc= -1.71 USER MOD Set 4.2: A 99 HIS : no HD1:sc= 0.298 K(o=-1.4,f=-5.9!) USER MOD Set 5.1: A 37 SER OG : rot -46:sc= 0.0598 USER MOD Set 5.2: A 40 ASN : amide:sc= -0.0276 X(o=0.032,f=-0.2) USER MOD Set 5.3: A 116 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 29 THR OG1 : rot 160:sc= 0.98 USER MOD Set 6.2: A 33 LYS NZ :NH3+ 159:sc= 2.29 (180deg=0.0213) USER MOD Single : A 1 SER N :NH3+ 155:sc= 1.36 (180deg=1.14) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 106:sc= 1.23 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.68) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0682 K(o=-0.068,f=-1.2) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -132:sc= 1.15 (180deg=0.582) USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= 1.31 (180deg=0.865) USER MOD Single : A 53 SER OG : rot 86:sc= 1.01 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 1.03 K(o=1,f=-7!) USER MOD Single : A 58 GLN : amide:sc= -1 K(o=-1,f=-3.2!) USER MOD Single : A 60 HIS : no HD1:sc= -0.875 K(o=-0.88,f=0.18) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.4!) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.692) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -110:sc= -1.96! USER MOD Single : A 90 THR OG1 : rot -22:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= 1.48 K(o=1.5,f=-0.026) USER MOD Single : A 92 SER OG : rot 86:sc= 0.838 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 105 GLN : amide:sc= -3.05! K(o=-3!,f=-0.36) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 165:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.95) USER MOD Single : A 112 MET CE :methyl -123:sc= -0.895 (180deg=-2.34) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 117 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 122 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 123 SER OG : rot -50:sc= 0.941 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 141.445 0.260 6.700 1.00 0.00 N ATOM 2 CA SER A 1 142.689 0.585 6.058 1.00 0.00 C ATOM 3 C SER A 1 142.758 2.102 5.912 1.00 0.00 C ATOM 4 O SER A 1 141.860 2.810 6.381 1.00 0.00 O ATOM 5 CB SER A 1 142.698 -0.074 4.683 1.00 0.00 C ATOM 6 OG SER A 1 142.422 -1.472 4.779 1.00 0.00 O ATOM 0 H1 SER A 1 141.166 -0.709 6.446 1.00 0.00 H new ATOM 0 H2 SER A 1 141.558 0.329 7.732 1.00 0.00 H new ATOM 0 H3 SER A 1 140.709 0.925 6.387 1.00 0.00 H new ATOM 0 HA SER A 1 143.543 0.232 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 1 141.955 0.403 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 1 143.669 0.076 4.211 1.00 0.00 H new ATOM 0 HG SER A 1 142.432 -1.870 3.883 1.00 0.00 H new ATOM 14 N MET A 2 143.798 2.607 5.291 1.00 0.00 N ATOM 15 CA MET A 2 143.884 4.019 5.037 1.00 0.00 C ATOM 16 C MET A 2 143.550 4.247 3.584 1.00 0.00 C ATOM 17 O MET A 2 144.051 3.534 2.706 1.00 0.00 O ATOM 18 CB MET A 2 145.271 4.597 5.402 1.00 0.00 C ATOM 19 CG MET A 2 146.441 4.046 4.598 1.00 0.00 C ATOM 20 SD MET A 2 148.029 4.689 5.152 1.00 0.00 S ATOM 21 CE MET A 2 149.131 3.904 3.975 1.00 0.00 C ATOM 0 H MET A 2 144.591 2.061 4.955 1.00 0.00 H new ATOM 0 HA MET A 2 143.173 4.547 5.673 1.00 0.00 H new ATOM 0 HB2 MET A 2 145.240 5.679 5.272 1.00 0.00 H new ATOM 0 HB3 MET A 2 145.458 4.408 6.459 1.00 0.00 H new ATOM 0 HG2 MET A 2 146.448 2.959 4.673 1.00 0.00 H new ATOM 0 HG3 MET A 2 146.301 4.292 3.545 1.00 0.00 H new ATOM 0 HE1 MET A 2 150.158 4.202 4.184 1.00 0.00 H new ATOM 0 HE2 MET A 2 149.043 2.821 4.060 1.00 0.00 H new ATOM 0 HE3 MET A 2 148.862 4.211 2.964 1.00 0.00 H new ATOM 31 N VAL A 3 142.675 5.159 3.324 1.00 0.00 N ATOM 32 CA VAL A 3 142.268 5.415 1.980 1.00 0.00 C ATOM 33 C VAL A 3 142.805 6.736 1.473 1.00 0.00 C ATOM 34 O VAL A 3 142.656 7.790 2.108 1.00 0.00 O ATOM 35 CB VAL A 3 140.716 5.306 1.768 1.00 0.00 C ATOM 36 CG1 VAL A 3 139.935 6.267 2.654 1.00 0.00 C ATOM 37 CG2 VAL A 3 140.352 5.526 0.308 1.00 0.00 C ATOM 0 H VAL A 3 142.224 5.744 4.028 1.00 0.00 H new ATOM 0 HA VAL A 3 142.712 4.621 1.380 1.00 0.00 H new ATOM 0 HB VAL A 3 140.433 4.294 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 3 138.868 6.149 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 3 140.146 6.049 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 3 140.232 7.292 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 3 139.272 5.446 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.679 6.518 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.844 4.772 -0.307 1.00 0.00 H new ATOM 47 N SER A 4 143.487 6.662 0.380 1.00 0.00 N ATOM 48 CA SER A 4 143.947 7.811 -0.307 1.00 0.00 C ATOM 49 C SER A 4 142.754 8.458 -0.988 1.00 0.00 C ATOM 50 O SER A 4 141.853 7.754 -1.444 1.00 0.00 O ATOM 51 CB SER A 4 144.974 7.377 -1.323 1.00 0.00 C ATOM 52 OG SER A 4 146.001 6.626 -0.697 1.00 0.00 O ATOM 0 H SER A 4 143.743 5.781 -0.066 1.00 0.00 H new ATOM 0 HA SER A 4 144.406 8.529 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.497 6.777 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.401 8.251 -1.814 1.00 0.00 H new ATOM 0 HG SER A 4 146.659 6.349 -1.368 1.00 0.00 H new ATOM 58 N PRO A 5 142.705 9.788 -1.042 1.00 0.00 N ATOM 59 CA PRO A 5 141.597 10.525 -1.657 1.00 0.00 C ATOM 60 C PRO A 5 141.312 10.061 -3.073 1.00 0.00 C ATOM 61 O PRO A 5 140.174 10.000 -3.481 1.00 0.00 O ATOM 62 CB PRO A 5 142.076 11.980 -1.657 1.00 0.00 C ATOM 63 CG PRO A 5 143.533 11.906 -1.356 1.00 0.00 C ATOM 64 CD PRO A 5 143.717 10.703 -0.505 1.00 0.00 C ATOM 0 HA PRO A 5 140.664 10.375 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 5 141.896 12.455 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.548 12.570 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.117 11.828 -2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.870 12.804 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.723 10.293 -0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.551 10.921 0.550 1.00 0.00 H new ATOM 72 N GLU A 6 142.341 9.663 -3.792 1.00 0.00 N ATOM 73 CA GLU A 6 142.147 9.226 -5.158 1.00 0.00 C ATOM 74 C GLU A 6 141.597 7.798 -5.229 1.00 0.00 C ATOM 75 O GLU A 6 140.870 7.452 -6.150 1.00 0.00 O ATOM 76 CB GLU A 6 143.409 9.397 -5.984 1.00 0.00 C ATOM 77 CG GLU A 6 143.891 10.844 -6.050 1.00 0.00 C ATOM 78 CD GLU A 6 142.816 11.796 -6.528 1.00 0.00 C ATOM 79 OE1 GLU A 6 142.484 11.780 -7.736 1.00 0.00 O ATOM 80 OE2 GLU A 6 142.300 12.587 -5.712 1.00 0.00 O ATOM 0 H GLU A 6 143.305 9.633 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 6 141.389 9.873 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.199 8.776 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 6 143.226 9.035 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.233 11.154 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.750 10.907 -6.719 1.00 0.00 H new ATOM 87 N GLU A 7 141.890 6.992 -4.232 1.00 0.00 N ATOM 88 CA GLU A 7 141.332 5.644 -4.181 1.00 0.00 C ATOM 89 C GLU A 7 139.847 5.836 -3.858 1.00 0.00 C ATOM 90 O GLU A 7 138.979 5.212 -4.452 1.00 0.00 O ATOM 91 CB GLU A 7 142.022 4.823 -3.069 1.00 0.00 C ATOM 92 CG GLU A 7 142.111 3.299 -3.283 1.00 0.00 C ATOM 93 CD GLU A 7 140.796 2.571 -3.494 1.00 0.00 C ATOM 94 OE1 GLU A 7 139.981 2.507 -2.573 1.00 0.00 O ATOM 95 OE2 GLU A 7 140.620 1.959 -4.581 1.00 0.00 O ATOM 0 H GLU A 7 142.502 7.235 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 7 141.479 5.104 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 7 143.034 5.208 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.492 5.004 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 7 142.748 3.112 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 7 142.610 2.861 -2.418 1.00 0.00 H new ATOM 102 N ALA A 8 139.585 6.793 -2.959 1.00 0.00 N ATOM 103 CA ALA A 8 138.239 7.155 -2.573 1.00 0.00 C ATOM 104 C ALA A 8 137.464 7.750 -3.768 1.00 0.00 C ATOM 105 O ALA A 8 136.273 7.508 -3.899 1.00 0.00 O ATOM 106 CB ALA A 8 138.234 8.091 -1.331 1.00 0.00 C ATOM 0 H ALA A 8 140.310 7.332 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 8 137.715 6.247 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.206 8.343 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.709 7.584 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.784 9.004 -1.561 1.00 0.00 H new ATOM 112 N VAL A 9 138.136 8.516 -4.666 1.00 0.00 N ATOM 113 CA VAL A 9 137.439 9.048 -5.863 1.00 0.00 C ATOM 114 C VAL A 9 137.016 7.922 -6.781 1.00 0.00 C ATOM 115 O VAL A 9 136.025 8.037 -7.496 1.00 0.00 O ATOM 116 CB VAL A 9 138.213 10.133 -6.705 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.688 11.280 -5.873 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.337 9.569 -7.548 1.00 0.00 C ATOM 0 H VAL A 9 139.121 8.771 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 9 136.580 9.571 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 9 137.469 10.516 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.214 11.995 -6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.833 11.769 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.364 10.914 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 9 139.821 10.377 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.067 9.082 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 9 138.934 8.842 -8.253 1.00 0.00 H new ATOM 128 N LYS A 10 137.759 6.833 -6.754 1.00 0.00 N ATOM 129 CA LYS A 10 137.418 5.666 -7.547 1.00 0.00 C ATOM 130 C LYS A 10 136.121 5.029 -7.027 1.00 0.00 C ATOM 131 O LYS A 10 135.344 4.460 -7.783 1.00 0.00 O ATOM 132 CB LYS A 10 138.564 4.659 -7.564 1.00 0.00 C ATOM 133 CG LYS A 10 139.881 5.222 -8.044 1.00 0.00 C ATOM 134 CD LYS A 10 139.772 5.797 -9.436 1.00 0.00 C ATOM 135 CE LYS A 10 141.066 6.457 -9.848 1.00 0.00 C ATOM 136 NZ LYS A 10 140.991 7.002 -11.224 1.00 0.00 N ATOM 0 H LYS A 10 138.604 6.731 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 10 137.251 5.985 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.698 4.262 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.286 3.821 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.217 5.998 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 10 140.637 4.437 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.522 5.006 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 10 138.961 6.524 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 10 141.302 7.261 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.879 5.733 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 141.898 7.447 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 140.790 6.231 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 140.232 7.711 -11.276 1.00 0.00 H new ATOM 150 N TRP A 11 135.862 5.189 -5.736 1.00 0.00 N ATOM 151 CA TRP A 11 134.605 4.721 -5.129 1.00 0.00 C ATOM 152 C TRP A 11 133.455 5.510 -5.727 1.00 0.00 C ATOM 153 O TRP A 11 132.336 5.023 -5.848 1.00 0.00 O ATOM 154 CB TRP A 11 134.574 4.993 -3.629 1.00 0.00 C ATOM 155 CG TRP A 11 135.668 4.398 -2.814 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.641 3.539 -3.213 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.874 4.624 -1.429 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.458 3.248 -2.161 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.999 3.888 -1.049 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.211 5.392 -0.472 1.00 0.00 C ATOM 161 CZ2 TRP A 11 137.481 3.888 0.248 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.688 5.391 0.821 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.810 4.641 1.170 1.00 0.00 C ATOM 0 H TRP A 11 136.501 5.639 -5.081 1.00 0.00 H new ATOM 0 HA TRP A 11 134.525 3.650 -5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.588 6.073 -3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.624 4.630 -3.238 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.751 3.146 -4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 11 138.281 2.647 -2.200 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.342 5.975 -0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 138.354 3.315 0.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 135.186 5.979 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 11 137.157 4.655 2.193 1.00 0.00 H new ATOM 174 N GLY A 12 133.771 6.730 -6.121 1.00 0.00 N ATOM 175 CA GLY A 12 132.799 7.642 -6.650 1.00 0.00 C ATOM 176 C GLY A 12 132.603 7.485 -8.129 1.00 0.00 C ATOM 177 O GLY A 12 131.754 8.149 -8.719 1.00 0.00 O ATOM 0 H GLY A 12 134.717 7.109 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 12 131.847 7.486 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.111 8.664 -6.435 1.00 0.00 H new ATOM 181 N GLU A 13 133.384 6.629 -8.743 1.00 0.00 N ATOM 182 CA GLU A 13 133.206 6.369 -10.142 1.00 0.00 C ATOM 183 C GLU A 13 132.639 4.970 -10.363 1.00 0.00 C ATOM 184 O GLU A 13 132.062 4.679 -11.407 1.00 0.00 O ATOM 185 CB GLU A 13 134.482 6.698 -10.955 1.00 0.00 C ATOM 186 CG GLU A 13 135.749 5.921 -10.606 1.00 0.00 C ATOM 187 CD GLU A 13 135.806 4.563 -11.242 1.00 0.00 C ATOM 188 OE1 GLU A 13 135.812 4.485 -12.477 1.00 0.00 O ATOM 189 OE2 GLU A 13 135.904 3.550 -10.538 1.00 0.00 O ATOM 0 H GLU A 13 134.140 6.108 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 13 132.455 7.051 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.263 6.532 -12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.694 7.761 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.619 6.498 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.813 5.811 -9.523 1.00 0.00 H new ATOM 196 N SER A 14 132.786 4.121 -9.354 1.00 0.00 N ATOM 197 CA SER A 14 132.204 2.803 -9.363 1.00 0.00 C ATOM 198 C SER A 14 131.670 2.452 -7.966 1.00 0.00 C ATOM 199 O SER A 14 132.450 2.237 -7.026 1.00 0.00 O ATOM 200 CB SER A 14 133.231 1.755 -9.806 1.00 0.00 C ATOM 201 OG SER A 14 133.762 2.051 -11.091 1.00 0.00 O ATOM 0 H SER A 14 133.315 4.336 -8.509 1.00 0.00 H new ATOM 0 HA SER A 14 131.379 2.800 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.042 1.709 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 14 132.763 0.771 -9.823 1.00 0.00 H new ATOM 0 HG SER A 14 134.675 2.394 -10.997 1.00 0.00 H new ATOM 207 N PHE A 15 130.343 2.401 -7.838 1.00 0.00 N ATOM 208 CA PHE A 15 129.654 2.036 -6.586 1.00 0.00 C ATOM 209 C PHE A 15 130.076 0.636 -6.141 1.00 0.00 C ATOM 210 O PHE A 15 130.137 0.332 -4.945 1.00 0.00 O ATOM 211 CB PHE A 15 128.125 2.112 -6.799 1.00 0.00 C ATOM 212 CG PHE A 15 127.265 1.753 -5.608 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.495 2.309 -4.365 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.220 0.863 -5.743 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.702 1.983 -3.286 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.423 0.537 -4.667 1.00 0.00 C ATOM 217 CZ PHE A 15 125.665 1.097 -3.440 1.00 0.00 C ATOM 0 H PHE A 15 129.705 2.613 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 15 129.932 2.737 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.873 3.126 -7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.861 1.450 -7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.307 3.009 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.023 0.415 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.896 2.424 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.607 -0.160 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.041 0.842 -2.596 1.00 0.00 H new ATOM 227 N ASP A 16 130.390 -0.198 -7.111 1.00 0.00 N ATOM 228 CA ASP A 16 130.886 -1.539 -6.849 1.00 0.00 C ATOM 229 C ASP A 16 132.211 -1.498 -6.094 1.00 0.00 C ATOM 230 O ASP A 16 132.394 -2.232 -5.135 1.00 0.00 O ATOM 231 CB ASP A 16 131.038 -2.332 -8.136 1.00 0.00 C ATOM 232 CG ASP A 16 131.667 -3.684 -7.903 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.999 -4.582 -7.354 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.842 -3.872 -8.268 1.00 0.00 O ATOM 0 H ASP A 16 130.310 0.031 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 16 130.149 -2.041 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.059 -2.463 -8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.648 -1.766 -8.839 1.00 0.00 H new ATOM 239 N LYS A 17 133.112 -0.603 -6.506 1.00 0.00 N ATOM 240 CA LYS A 17 134.404 -0.449 -5.829 1.00 0.00 C ATOM 241 C LYS A 17 134.216 0.081 -4.431 1.00 0.00 C ATOM 242 O LYS A 17 134.894 -0.358 -3.502 1.00 0.00 O ATOM 243 CB LYS A 17 135.382 0.434 -6.621 1.00 0.00 C ATOM 244 CG LYS A 17 136.500 1.023 -5.760 1.00 0.00 C ATOM 245 CD LYS A 17 137.550 1.722 -6.568 1.00 0.00 C ATOM 246 CE LYS A 17 138.562 0.763 -7.151 1.00 0.00 C ATOM 247 NZ LYS A 17 139.376 0.130 -6.090 1.00 0.00 N ATOM 0 H LYS A 17 132.973 0.023 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 17 134.851 -1.442 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.824 -0.156 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.828 1.247 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.070 1.726 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 17 136.965 0.225 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.073 2.278 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.063 2.450 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.047 -0.007 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 17 139.214 1.295 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 140.291 -0.167 -6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 139.536 0.812 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.874 -0.701 -5.716 1.00 0.00 H new ATOM 261 N LEU A 18 133.286 1.007 -4.290 1.00 0.00 N ATOM 262 CA LEU A 18 132.928 1.560 -2.998 1.00 0.00 C ATOM 263 C LEU A 18 132.610 0.424 -2.034 1.00 0.00 C ATOM 264 O LEU A 18 133.194 0.315 -0.980 1.00 0.00 O ATOM 265 CB LEU A 18 131.707 2.461 -3.164 1.00 0.00 C ATOM 266 CG LEU A 18 131.125 3.064 -1.895 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.097 4.019 -1.251 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.830 3.755 -2.206 1.00 0.00 C ATOM 0 H LEU A 18 132.757 1.397 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 18 133.757 2.144 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 18 131.975 3.276 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.924 1.885 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 18 130.935 2.259 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.653 4.434 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 18 133.014 3.488 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.328 4.827 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.418 4.185 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.006 4.548 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.123 3.035 -2.619 1.00 0.00 H new ATOM 280 N LEU A 19 131.737 -0.445 -2.466 1.00 0.00 N ATOM 281 CA LEU A 19 131.305 -1.600 -1.696 1.00 0.00 C ATOM 282 C LEU A 19 132.390 -2.675 -1.572 1.00 0.00 C ATOM 283 O LEU A 19 132.417 -3.429 -0.602 1.00 0.00 O ATOM 284 CB LEU A 19 130.047 -2.175 -2.339 1.00 0.00 C ATOM 285 CG LEU A 19 128.687 -1.687 -1.809 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.733 -0.241 -1.320 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.664 -1.814 -2.919 1.00 0.00 C ATOM 0 H LEU A 19 131.292 -0.376 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 19 131.094 -1.268 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 19 130.088 -1.960 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.080 -3.259 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 19 128.417 -2.305 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.748 0.052 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 19 129.458 -0.153 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 19 129.026 0.412 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.693 -1.472 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.972 -1.205 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.590 -2.857 -3.228 1.00 0.00 H new ATOM 299 N SER A 20 133.270 -2.739 -2.543 1.00 0.00 N ATOM 300 CA SER A 20 134.328 -3.727 -2.554 1.00 0.00 C ATOM 301 C SER A 20 135.407 -3.344 -1.546 1.00 0.00 C ATOM 302 O SER A 20 136.014 -4.205 -0.893 1.00 0.00 O ATOM 303 CB SER A 20 134.926 -3.838 -3.966 1.00 0.00 C ATOM 304 OG SER A 20 135.840 -4.915 -4.074 1.00 0.00 O ATOM 0 H SER A 20 133.275 -2.111 -3.346 1.00 0.00 H new ATOM 0 HA SER A 20 133.917 -4.696 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.122 -3.971 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 20 135.432 -2.907 -4.219 1.00 0.00 H new ATOM 0 HG SER A 20 136.196 -4.952 -4.986 1.00 0.00 H new ATOM 310 N HIS A 21 135.612 -2.060 -1.383 1.00 0.00 N ATOM 311 CA HIS A 21 136.608 -1.582 -0.487 1.00 0.00 C ATOM 312 C HIS A 21 135.945 -1.486 0.855 1.00 0.00 C ATOM 313 O HIS A 21 134.950 -0.796 0.991 1.00 0.00 O ATOM 314 CB HIS A 21 137.103 -0.195 -0.928 1.00 0.00 C ATOM 315 CG HIS A 21 138.573 0.027 -0.710 1.00 0.00 C ATOM 316 ND1 HIS A 21 139.107 0.742 0.347 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.632 -0.364 -1.456 1.00 0.00 C ATOM 318 CE1 HIS A 21 140.419 0.772 0.226 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.756 0.108 -0.848 1.00 0.00 N ATOM 0 H HIS A 21 135.091 -1.330 -1.869 1.00 0.00 H new ATOM 0 HA HIS A 21 137.472 -2.246 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.879 -0.060 -1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 21 136.546 0.568 -0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.593 -0.944 -2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 21 141.102 1.264 0.902 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.710 -0.034 -1.179 1.00 0.00 H new ATOM 328 N ARG A 22 136.476 -2.171 1.832 1.00 0.00 N ATOM 329 CA ARG A 22 135.886 -2.207 3.177 1.00 0.00 C ATOM 330 C ARG A 22 135.710 -0.822 3.755 1.00 0.00 C ATOM 331 O ARG A 22 134.713 -0.529 4.380 1.00 0.00 O ATOM 332 CB ARG A 22 136.692 -3.106 4.127 1.00 0.00 C ATOM 333 CG ARG A 22 136.338 -4.590 4.046 1.00 0.00 C ATOM 334 CD ARG A 22 136.518 -5.188 2.654 1.00 0.00 C ATOM 335 NE ARG A 22 136.063 -6.579 2.615 1.00 0.00 N ATOM 336 CZ ARG A 22 135.623 -7.230 1.530 1.00 0.00 C ATOM 337 NH1 ARG A 22 135.617 -6.636 0.339 1.00 0.00 N ATOM 338 NH2 ARG A 22 135.196 -8.478 1.640 1.00 0.00 N ATOM 0 H ARG A 22 137.328 -2.724 1.736 1.00 0.00 H new ATOM 0 HA ARG A 22 134.893 -2.644 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.753 -2.986 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.537 -2.764 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.959 -5.142 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 22 135.303 -4.725 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 22 135.959 -4.599 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.568 -5.137 2.366 1.00 0.00 H new ATOM 0 HE ARG A 22 136.083 -7.099 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 22 135.950 -5.676 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 22 135.280 -7.141 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 22 135.203 -8.941 2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 22 134.860 -8.977 0.816 1.00 0.00 H new ATOM 352 N ASP A 23 136.653 0.039 3.466 1.00 0.00 N ATOM 353 CA ASP A 23 136.620 1.422 3.935 1.00 0.00 C ATOM 354 C ASP A 23 135.479 2.184 3.257 1.00 0.00 C ATOM 355 O ASP A 23 134.923 3.125 3.817 1.00 0.00 O ATOM 356 CB ASP A 23 137.944 2.114 3.611 1.00 0.00 C ATOM 357 CG ASP A 23 139.130 1.288 4.016 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.561 1.348 5.180 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.617 0.523 3.174 1.00 0.00 O ATOM 0 H ASP A 23 137.470 -0.189 2.899 1.00 0.00 H new ATOM 0 HA ASP A 23 136.462 1.418 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.993 2.317 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.983 3.077 4.121 1.00 0.00 H new ATOM 364 N GLY A 24 135.119 1.753 2.058 1.00 0.00 N ATOM 365 CA GLY A 24 134.085 2.422 1.310 1.00 0.00 C ATOM 366 C GLY A 24 132.737 1.903 1.657 1.00 0.00 C ATOM 367 O GLY A 24 131.794 2.666 1.805 1.00 0.00 O ATOM 0 H GLY A 24 135.530 0.945 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 24 134.126 3.493 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.263 2.289 0.243 1.00 0.00 H new ATOM 371 N LEU A 25 132.650 0.598 1.786 1.00 0.00 N ATOM 372 CA LEU A 25 131.445 -0.061 2.231 1.00 0.00 C ATOM 373 C LEU A 25 131.049 0.483 3.590 1.00 0.00 C ATOM 374 O LEU A 25 129.874 0.717 3.867 1.00 0.00 O ATOM 375 CB LEU A 25 131.648 -1.604 2.199 1.00 0.00 C ATOM 376 CG LEU A 25 131.123 -2.453 3.373 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.895 -3.880 2.899 1.00 0.00 C ATOM 378 CD2 LEU A 25 132.160 -2.484 4.502 1.00 0.00 C ATOM 0 H LEU A 25 133.420 -0.040 1.583 1.00 0.00 H new ATOM 0 HA LEU A 25 130.612 0.147 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.181 -1.978 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.718 -1.793 2.109 1.00 0.00 H new ATOM 0 HG LEU A 25 130.192 -2.016 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.524 -4.484 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 25 130.163 -3.883 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.835 -4.298 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.781 -3.086 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 25 133.088 -2.919 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.349 -1.469 4.850 1.00 0.00 H new ATOM 390 N GLU A 26 132.060 0.748 4.387 1.00 0.00 N ATOM 391 CA GLU A 26 131.908 1.339 5.675 1.00 0.00 C ATOM 392 C GLU A 26 131.465 2.800 5.534 1.00 0.00 C ATOM 393 O GLU A 26 130.575 3.241 6.242 1.00 0.00 O ATOM 394 CB GLU A 26 133.225 1.221 6.419 1.00 0.00 C ATOM 395 CG GLU A 26 133.236 1.773 7.836 1.00 0.00 C ATOM 396 CD GLU A 26 132.297 1.051 8.763 1.00 0.00 C ATOM 397 OE1 GLU A 26 132.478 -0.156 8.975 1.00 0.00 O ATOM 398 OE2 GLU A 26 131.405 1.693 9.359 1.00 0.00 O ATOM 0 H GLU A 26 133.030 0.549 4.141 1.00 0.00 H new ATOM 0 HA GLU A 26 131.136 0.821 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.506 0.169 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.994 1.736 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 26 134.248 1.711 8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.968 2.829 7.809 1.00 0.00 H new ATOM 405 N ALA A 27 132.043 3.533 4.571 1.00 0.00 N ATOM 406 CA ALA A 27 131.663 4.939 4.373 1.00 0.00 C ATOM 407 C ALA A 27 130.194 5.026 3.969 1.00 0.00 C ATOM 408 O ALA A 27 129.434 5.851 4.488 1.00 0.00 O ATOM 409 CB ALA A 27 132.539 5.616 3.305 1.00 0.00 C ATOM 0 H ALA A 27 132.758 3.187 3.931 1.00 0.00 H new ATOM 0 HA ALA A 27 131.817 5.464 5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.230 6.654 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.583 5.582 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.426 5.092 2.356 1.00 0.00 H new ATOM 415 N PHE A 28 129.796 4.133 3.093 1.00 0.00 N ATOM 416 CA PHE A 28 128.457 4.124 2.567 1.00 0.00 C ATOM 417 C PHE A 28 127.466 3.607 3.607 1.00 0.00 C ATOM 418 O PHE A 28 126.361 4.138 3.731 1.00 0.00 O ATOM 419 CB PHE A 28 128.392 3.305 1.270 1.00 0.00 C ATOM 420 CG PHE A 28 127.087 3.427 0.529 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.784 4.581 -0.167 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.170 2.396 0.526 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.594 4.707 -0.850 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.979 2.513 -0.155 1.00 0.00 C ATOM 425 CZ PHE A 28 124.689 3.670 -0.846 1.00 0.00 C ATOM 0 H PHE A 28 130.395 3.393 2.727 1.00 0.00 H new ATOM 0 HA PHE A 28 128.174 5.149 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.202 3.622 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.566 2.255 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.491 5.397 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.389 1.486 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.372 5.617 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.271 1.697 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.756 3.762 -1.382 1.00 0.00 H new ATOM 435 N THR A 29 127.867 2.600 4.383 1.00 0.00 N ATOM 436 CA THR A 29 126.987 2.066 5.398 1.00 0.00 C ATOM 437 C THR A 29 126.760 3.115 6.504 1.00 0.00 C ATOM 438 O THR A 29 125.669 3.216 7.038 1.00 0.00 O ATOM 439 CB THR A 29 127.470 0.676 5.989 1.00 0.00 C ATOM 440 OG1 THR A 29 126.406 0.038 6.703 1.00 0.00 O ATOM 441 CG2 THR A 29 128.641 0.824 6.949 1.00 0.00 C ATOM 0 H THR A 29 128.781 2.151 4.324 1.00 0.00 H new ATOM 0 HA THR A 29 126.034 1.850 4.915 1.00 0.00 H new ATOM 0 HB THR A 29 127.785 0.079 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.594 -0.920 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.931 -0.158 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.484 1.277 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.348 1.459 7.785 1.00 0.00 H new ATOM 449 N ARG A 30 127.777 3.940 6.791 1.00 0.00 N ATOM 450 CA ARG A 30 127.640 4.998 7.792 1.00 0.00 C ATOM 451 C ARG A 30 126.672 6.063 7.310 1.00 0.00 C ATOM 452 O ARG A 30 125.836 6.559 8.086 1.00 0.00 O ATOM 453 CB ARG A 30 128.990 5.614 8.150 1.00 0.00 C ATOM 454 CG ARG A 30 129.925 4.640 8.829 1.00 0.00 C ATOM 455 CD ARG A 30 131.241 5.284 9.190 1.00 0.00 C ATOM 456 NE ARG A 30 132.131 4.344 9.875 1.00 0.00 N ATOM 457 CZ ARG A 30 133.279 4.679 10.486 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.763 5.922 10.372 1.00 0.00 N ATOM 459 NH2 ARG A 30 133.943 3.768 11.191 1.00 0.00 N ATOM 0 H ARG A 30 128.694 3.893 6.347 1.00 0.00 H new ATOM 0 HA ARG A 30 127.238 4.546 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.463 5.990 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.830 6.471 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.452 4.250 9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.105 3.790 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.726 5.653 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 30 131.061 6.148 9.830 1.00 0.00 H new ATOM 0 HE ARG A 30 131.858 3.361 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 30 133.260 6.617 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.635 6.174 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 30 133.580 2.818 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 30 134.815 4.019 11.656 1.00 0.00 H new ATOM 473 N PHE A 31 126.772 6.387 6.031 1.00 0.00 N ATOM 474 CA PHE A 31 125.869 7.324 5.385 1.00 0.00 C ATOM 475 C PHE A 31 124.437 6.796 5.464 1.00 0.00 C ATOM 476 O PHE A 31 123.505 7.522 5.807 1.00 0.00 O ATOM 477 CB PHE A 31 126.290 7.529 3.920 1.00 0.00 C ATOM 478 CG PHE A 31 125.347 8.381 3.124 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.381 9.754 3.228 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.410 7.798 2.283 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.504 10.534 2.510 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.531 8.572 1.569 1.00 0.00 C ATOM 483 CZ PHE A 31 123.578 9.942 1.683 1.00 0.00 C ATOM 0 H PHE A 31 127.485 6.005 5.410 1.00 0.00 H new ATOM 0 HA PHE A 31 125.916 8.285 5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.280 7.984 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.377 6.555 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 31 126.103 10.223 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.372 6.723 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.543 11.610 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.804 8.107 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.887 10.554 1.122 1.00 0.00 H new ATOM 493 N LEU A 32 124.291 5.533 5.169 1.00 0.00 N ATOM 494 CA LEU A 32 123.018 4.856 5.215 1.00 0.00 C ATOM 495 C LEU A 32 122.445 4.811 6.639 1.00 0.00 C ATOM 496 O LEU A 32 121.296 5.191 6.861 1.00 0.00 O ATOM 497 CB LEU A 32 123.182 3.451 4.649 1.00 0.00 C ATOM 498 CG LEU A 32 122.539 3.182 3.286 1.00 0.00 C ATOM 499 CD1 LEU A 32 122.954 4.211 2.262 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.896 1.789 2.802 1.00 0.00 C ATOM 0 H LEU A 32 125.065 4.933 4.885 1.00 0.00 H new ATOM 0 HA LEU A 32 122.304 5.414 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.248 3.237 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 122.767 2.744 5.367 1.00 0.00 H new ATOM 0 HG LEU A 32 121.458 3.253 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 122.478 3.987 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 122.647 5.202 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 32 124.037 4.188 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 122.432 1.611 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.979 1.703 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.534 1.051 3.518 1.00 0.00 H new ATOM 512 N LYS A 33 123.261 4.377 7.584 1.00 0.00 N ATOM 513 CA LYS A 33 122.872 4.242 8.995 1.00 0.00 C ATOM 514 C LYS A 33 122.382 5.549 9.614 1.00 0.00 C ATOM 515 O LYS A 33 121.404 5.551 10.366 1.00 0.00 O ATOM 516 CB LYS A 33 124.032 3.688 9.826 1.00 0.00 C ATOM 517 CG LYS A 33 124.280 2.194 9.668 1.00 0.00 C ATOM 518 CD LYS A 33 125.581 1.801 10.334 1.00 0.00 C ATOM 519 CE LYS A 33 125.736 0.295 10.499 1.00 0.00 C ATOM 520 NZ LYS A 33 125.575 -0.475 9.245 1.00 0.00 N ATOM 0 H LYS A 33 124.226 4.103 7.400 1.00 0.00 H new ATOM 0 HA LYS A 33 122.035 3.543 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.942 4.223 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.840 3.900 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.455 1.634 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.313 1.934 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.414 2.184 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.639 2.276 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.721 0.086 10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 33 125.002 -0.057 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 126.029 -1.405 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.563 -0.604 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 126.020 0.043 8.460 1.00 0.00 H new ATOM 534 N THR A 34 123.022 6.656 9.273 1.00 0.00 N ATOM 535 CA THR A 34 122.676 7.937 9.875 1.00 0.00 C ATOM 536 C THR A 34 121.299 8.458 9.396 1.00 0.00 C ATOM 537 O THR A 34 120.691 9.323 10.041 1.00 0.00 O ATOM 538 CB THR A 34 123.811 9.017 9.681 1.00 0.00 C ATOM 539 OG1 THR A 34 123.508 10.226 10.396 1.00 0.00 O ATOM 540 CG2 THR A 34 124.034 9.349 8.225 1.00 0.00 C ATOM 0 H THR A 34 123.778 6.696 8.589 1.00 0.00 H new ATOM 0 HA THR A 34 122.591 7.758 10.947 1.00 0.00 H new ATOM 0 HB THR A 34 124.724 8.577 10.082 1.00 0.00 H new ATOM 0 HG1 THR A 34 124.228 10.876 10.259 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.823 10.096 8.139 1.00 0.00 H new ATOM 0 HG22 THR A 34 124.327 8.448 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 34 123.113 9.744 7.797 1.00 0.00 H new ATOM 548 N GLU A 35 120.791 7.912 8.298 1.00 0.00 N ATOM 549 CA GLU A 35 119.502 8.336 7.786 1.00 0.00 C ATOM 550 C GLU A 35 118.511 7.175 7.750 1.00 0.00 C ATOM 551 O GLU A 35 117.462 7.265 7.087 1.00 0.00 O ATOM 552 CB GLU A 35 119.638 8.940 6.398 1.00 0.00 C ATOM 553 CG GLU A 35 120.188 7.990 5.358 1.00 0.00 C ATOM 554 CD GLU A 35 120.123 8.580 3.996 1.00 0.00 C ATOM 555 OE1 GLU A 35 119.101 8.393 3.311 1.00 0.00 O ATOM 556 OE2 GLU A 35 121.049 9.279 3.606 1.00 0.00 O ATOM 0 H GLU A 35 121.249 7.182 7.752 1.00 0.00 H new ATOM 0 HA GLU A 35 119.119 9.098 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.660 9.293 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 35 120.288 9.813 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.222 7.742 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.623 7.058 5.380 1.00 0.00 H new ATOM 563 N PHE A 36 118.852 6.087 8.452 1.00 0.00 N ATOM 564 CA PHE A 36 117.997 4.895 8.554 1.00 0.00 C ATOM 565 C PHE A 36 117.758 4.245 7.179 1.00 0.00 C ATOM 566 O PHE A 36 116.695 3.680 6.915 1.00 0.00 O ATOM 567 CB PHE A 36 116.656 5.233 9.253 1.00 0.00 C ATOM 568 CG PHE A 36 116.803 5.685 10.688 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.037 7.016 10.998 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.703 4.776 11.723 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.168 7.427 12.309 1.00 0.00 C ATOM 572 CE2 PHE A 36 116.831 5.178 13.038 1.00 0.00 C ATOM 573 CZ PHE A 36 117.065 6.506 13.331 1.00 0.00 C ATOM 0 H PHE A 36 119.729 6.007 8.966 1.00 0.00 H new ATOM 0 HA PHE A 36 118.525 4.166 9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.151 6.016 8.687 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.012 4.354 9.225 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.118 7.742 10.202 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.522 3.735 11.501 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.351 8.467 12.534 1.00 0.00 H new ATOM 0 HE2 PHE A 36 116.748 4.454 13.835 1.00 0.00 H new ATOM 0 HZ PHE A 36 117.167 6.824 14.358 1.00 0.00 H new ATOM 583 N SER A 37 118.764 4.274 6.334 1.00 0.00 N ATOM 584 CA SER A 37 118.666 3.711 5.003 1.00 0.00 C ATOM 585 C SER A 37 119.586 2.472 4.903 1.00 0.00 C ATOM 586 O SER A 37 119.695 1.829 3.850 1.00 0.00 O ATOM 587 CB SER A 37 119.052 4.789 3.964 1.00 0.00 C ATOM 588 OG SER A 37 118.741 4.400 2.633 1.00 0.00 O ATOM 0 H SER A 37 119.672 4.687 6.548 1.00 0.00 H new ATOM 0 HA SER A 37 117.644 3.392 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.531 5.717 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 37 120.120 4.995 4.039 1.00 0.00 H new ATOM 0 HG SER A 37 119.045 3.481 2.481 1.00 0.00 H new ATOM 594 N GLU A 38 120.195 2.102 6.044 1.00 0.00 N ATOM 595 CA GLU A 38 121.163 0.979 6.137 1.00 0.00 C ATOM 596 C GLU A 38 120.565 -0.336 5.686 1.00 0.00 C ATOM 597 O GLU A 38 121.282 -1.245 5.275 1.00 0.00 O ATOM 598 CB GLU A 38 121.737 0.836 7.558 1.00 0.00 C ATOM 599 CG GLU A 38 120.735 0.444 8.658 1.00 0.00 C ATOM 600 CD GLU A 38 119.643 1.454 8.867 1.00 0.00 C ATOM 601 OE1 GLU A 38 119.946 2.651 8.902 1.00 0.00 O ATOM 602 OE2 GLU A 38 118.456 1.067 8.963 1.00 0.00 O ATOM 0 H GLU A 38 120.033 2.572 6.935 1.00 0.00 H new ATOM 0 HA GLU A 38 121.978 1.228 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.530 0.088 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.200 1.782 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.286 -0.516 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 38 121.274 0.305 9.595 1.00 0.00 H new ATOM 609 N GLU A 39 119.251 -0.389 5.727 1.00 0.00 N ATOM 610 CA GLU A 39 118.453 -1.531 5.328 1.00 0.00 C ATOM 611 C GLU A 39 118.806 -2.038 3.934 1.00 0.00 C ATOM 612 O GLU A 39 118.650 -3.192 3.663 1.00 0.00 O ATOM 613 CB GLU A 39 116.983 -1.149 5.348 1.00 0.00 C ATOM 614 CG GLU A 39 116.672 0.079 4.496 1.00 0.00 C ATOM 615 CD GLU A 39 115.220 0.397 4.434 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.672 0.900 5.443 1.00 0.00 O ATOM 617 OE2 GLU A 39 114.595 0.183 3.370 1.00 0.00 O ATOM 0 H GLU A 39 118.685 0.395 6.053 1.00 0.00 H new ATOM 0 HA GLU A 39 118.663 -2.332 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.390 -1.991 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.678 -0.957 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 39 117.209 0.938 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 117.045 -0.084 3.485 1.00 0.00 H new ATOM 624 N ASN A 40 119.274 -1.158 3.066 1.00 0.00 N ATOM 625 CA ASN A 40 119.599 -1.534 1.702 1.00 0.00 C ATOM 626 C ASN A 40 120.885 -2.366 1.674 1.00 0.00 C ATOM 627 O ASN A 40 120.909 -3.568 1.248 1.00 0.00 O ATOM 628 CB ASN A 40 119.779 -0.274 0.835 1.00 0.00 C ATOM 629 CG ASN A 40 118.524 0.576 0.679 1.00 0.00 C ATOM 630 OD1 ASN A 40 117.393 0.068 0.660 1.00 0.00 O ATOM 631 ND2 ASN A 40 118.707 1.879 0.601 1.00 0.00 N ATOM 0 H ASN A 40 119.438 -0.175 3.283 1.00 0.00 H new ATOM 0 HA ASN A 40 118.780 -2.131 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 40 120.566 0.341 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 40 120.122 -0.576 -0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 40 117.904 2.503 0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 40 119.652 2.263 0.620 1.00 0.00 H new ATOM 638 N ILE A 41 121.942 -1.775 2.188 1.00 0.00 N ATOM 639 CA ILE A 41 123.224 -2.410 2.151 1.00 0.00 C ATOM 640 C ILE A 41 123.202 -3.634 3.070 1.00 0.00 C ATOM 641 O ILE A 41 123.693 -4.689 2.708 1.00 0.00 O ATOM 642 CB ILE A 41 124.390 -1.403 2.484 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.667 -1.775 1.704 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.673 -1.296 3.993 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.800 -0.776 1.861 1.00 0.00 C ATOM 0 H ILE A 41 121.930 -0.858 2.634 1.00 0.00 H new ATOM 0 HA ILE A 41 123.430 -2.753 1.137 1.00 0.00 H new ATOM 0 HB ILE A 41 124.058 -0.416 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 41 126.011 -2.754 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.421 -1.866 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.485 -0.589 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.777 -0.949 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.958 -2.274 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.662 -1.109 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.477 0.201 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 41 127.076 -0.701 2.913 1.00 0.00 H new ATOM 657 N GLU A 42 122.506 -3.508 4.206 1.00 0.00 N ATOM 658 CA GLU A 42 122.373 -4.586 5.149 1.00 0.00 C ATOM 659 C GLU A 42 121.339 -5.620 4.731 1.00 0.00 C ATOM 660 O GLU A 42 121.231 -6.674 5.353 1.00 0.00 O ATOM 661 CB GLU A 42 122.191 -4.086 6.578 1.00 0.00 C ATOM 662 CG GLU A 42 123.494 -3.539 7.155 1.00 0.00 C ATOM 663 CD GLU A 42 123.372 -3.020 8.570 1.00 0.00 C ATOM 664 OE1 GLU A 42 123.315 -3.849 9.502 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.349 -1.789 8.783 1.00 0.00 O ATOM 0 H GLU A 42 122.026 -2.651 4.482 1.00 0.00 H new ATOM 0 HA GLU A 42 123.323 -5.120 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.429 -3.307 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.829 -4.901 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.248 -4.326 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.853 -2.734 6.514 1.00 0.00 H new ATOM 672 N PHE A 43 120.585 -5.322 3.681 1.00 0.00 N ATOM 673 CA PHE A 43 119.711 -6.294 3.064 1.00 0.00 C ATOM 674 C PHE A 43 120.566 -7.337 2.407 1.00 0.00 C ATOM 675 O PHE A 43 120.523 -8.530 2.765 1.00 0.00 O ATOM 676 CB PHE A 43 118.813 -5.624 2.013 1.00 0.00 C ATOM 677 CG PHE A 43 118.051 -6.557 1.131 1.00 0.00 C ATOM 678 CD1 PHE A 43 116.850 -7.071 1.531 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.544 -6.900 -0.119 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.149 -7.911 0.711 1.00 0.00 C ATOM 681 CE2 PHE A 43 117.851 -7.740 -0.940 1.00 0.00 C ATOM 682 CZ PHE A 43 116.649 -8.245 -0.527 1.00 0.00 C ATOM 0 H PHE A 43 120.566 -4.403 3.240 1.00 0.00 H new ATOM 0 HA PHE A 43 119.069 -6.744 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.103 -4.976 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.433 -4.983 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.452 -6.812 2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.490 -6.496 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.201 -8.313 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.248 -8.004 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.091 -8.907 -1.173 1.00 0.00 H new ATOM 692 N TRP A 44 121.395 -6.916 1.461 1.00 0.00 N ATOM 693 CA TRP A 44 122.198 -7.929 0.821 1.00 0.00 C ATOM 694 C TRP A 44 123.388 -8.357 1.641 1.00 0.00 C ATOM 695 O TRP A 44 123.910 -9.437 1.448 1.00 0.00 O ATOM 696 CB TRP A 44 122.494 -7.729 -0.671 1.00 0.00 C ATOM 697 CG TRP A 44 123.191 -6.478 -1.088 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.670 -5.503 -1.875 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.537 -6.076 -0.785 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.599 -4.538 -2.101 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.750 -4.855 -1.426 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.583 -6.627 -0.031 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.951 -4.176 -1.342 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.775 -5.945 0.053 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.949 -4.733 -0.597 1.00 0.00 C ATOM 0 H TRP A 44 121.521 -5.955 1.143 1.00 0.00 H new ATOM 0 HA TRP A 44 121.530 -8.790 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.095 -8.574 -1.008 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.547 -7.778 -1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.663 -5.495 -2.265 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.462 -3.710 -2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.455 -7.572 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 126.095 -3.234 -1.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.586 -6.360 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.895 -4.219 -0.512 1.00 0.00 H new ATOM 716 N ILE A 45 123.797 -7.516 2.573 1.00 0.00 N ATOM 717 CA ILE A 45 124.827 -7.871 3.536 1.00 0.00 C ATOM 718 C ILE A 45 124.327 -9.002 4.444 1.00 0.00 C ATOM 719 O ILE A 45 125.104 -9.872 4.858 1.00 0.00 O ATOM 720 CB ILE A 45 125.335 -6.608 4.309 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.570 -6.021 3.602 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.559 -6.814 5.809 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.089 -4.727 4.194 1.00 0.00 C ATOM 0 H ILE A 45 123.428 -6.572 2.685 1.00 0.00 H new ATOM 0 HA ILE A 45 125.702 -8.258 3.014 1.00 0.00 H new ATOM 0 HB ILE A 45 124.524 -5.880 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.370 -6.761 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.324 -5.851 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.910 -5.884 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 45 124.622 -7.111 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.305 -7.594 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.959 -4.392 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.310 -3.966 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.372 -4.890 5.234 1.00 0.00 H new ATOM 735 N ALA A 46 123.008 -9.021 4.695 1.00 0.00 N ATOM 736 CA ALA A 46 122.386 -10.126 5.413 1.00 0.00 C ATOM 737 C ALA A 46 122.552 -11.375 4.584 1.00 0.00 C ATOM 738 O ALA A 46 122.954 -12.414 5.089 1.00 0.00 O ATOM 739 CB ALA A 46 120.900 -9.873 5.642 1.00 0.00 C ATOM 0 H ALA A 46 122.362 -8.285 4.410 1.00 0.00 H new ATOM 0 HA ALA A 46 122.864 -10.231 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.466 -10.716 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.772 -8.963 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.398 -9.759 4.681 1.00 0.00 H new ATOM 745 N CYS A 47 122.279 -11.242 3.289 1.00 0.00 N ATOM 746 CA CYS A 47 122.397 -12.345 2.349 1.00 0.00 C ATOM 747 C CYS A 47 123.855 -12.825 2.214 1.00 0.00 C ATOM 748 O CYS A 47 124.094 -13.973 1.882 1.00 0.00 O ATOM 749 CB CYS A 47 121.820 -11.957 0.977 1.00 0.00 C ATOM 750 SG CYS A 47 121.853 -13.280 -0.266 1.00 0.00 S ATOM 0 H CYS A 47 121.971 -10.367 2.865 1.00 0.00 H new ATOM 0 HA CYS A 47 121.814 -13.177 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 47 120.789 -11.630 1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.378 -11.103 0.593 1.00 0.00 H new ATOM 0 HG CYS A 47 122.799 -14.123 0.023 1.00 0.00 H new ATOM 756 N GLU A 48 124.812 -11.957 2.482 1.00 0.00 N ATOM 757 CA GLU A 48 126.212 -12.342 2.419 1.00 0.00 C ATOM 758 C GLU A 48 126.631 -13.115 3.673 1.00 0.00 C ATOM 759 O GLU A 48 127.389 -14.096 3.589 1.00 0.00 O ATOM 760 CB GLU A 48 127.115 -11.142 2.154 1.00 0.00 C ATOM 761 CG GLU A 48 126.860 -10.485 0.801 1.00 0.00 C ATOM 762 CD GLU A 48 127.026 -11.448 -0.363 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.169 -11.779 -0.708 1.00 0.00 O ATOM 764 OE2 GLU A 48 126.020 -11.898 -0.949 1.00 0.00 O ATOM 0 H GLU A 48 124.649 -10.985 2.744 1.00 0.00 H new ATOM 0 HA GLU A 48 126.332 -13.016 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 48 126.968 -10.404 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.156 -11.461 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 48 125.850 -10.075 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.546 -9.647 0.674 1.00 0.00 H new ATOM 771 N ASP A 49 126.124 -12.697 4.831 1.00 0.00 N ATOM 772 CA ASP A 49 126.343 -13.455 6.088 1.00 0.00 C ATOM 773 C ASP A 49 125.637 -14.790 5.958 1.00 0.00 C ATOM 774 O ASP A 49 126.088 -15.821 6.447 1.00 0.00 O ATOM 775 CB ASP A 49 125.778 -12.699 7.304 1.00 0.00 C ATOM 776 CG ASP A 49 125.944 -13.472 8.614 1.00 0.00 C ATOM 777 OD1 ASP A 49 127.041 -13.413 9.220 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.994 -14.153 9.061 1.00 0.00 O ATOM 0 H ASP A 49 125.564 -11.851 4.938 1.00 0.00 H new ATOM 0 HA ASP A 49 127.414 -13.587 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.279 -11.735 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.720 -12.495 7.140 1.00 0.00 H new ATOM 783 N PHE A 50 124.534 -14.743 5.280 1.00 0.00 N ATOM 784 CA PHE A 50 123.751 -15.890 4.958 1.00 0.00 C ATOM 785 C PHE A 50 124.491 -16.831 3.977 1.00 0.00 C ATOM 786 O PHE A 50 124.577 -18.032 4.230 1.00 0.00 O ATOM 787 CB PHE A 50 122.391 -15.417 4.430 1.00 0.00 C ATOM 788 CG PHE A 50 121.595 -16.435 3.717 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.343 -17.656 4.280 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.126 -16.168 2.461 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.630 -18.598 3.606 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.412 -17.109 1.773 1.00 0.00 C ATOM 793 CZ PHE A 50 120.163 -18.325 2.349 1.00 0.00 C ATOM 0 H PHE A 50 124.141 -13.872 4.923 1.00 0.00 H new ATOM 0 HA PHE A 50 123.584 -16.490 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.804 -15.046 5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.555 -14.574 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.714 -17.874 5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.321 -15.207 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.433 -19.558 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.046 -16.894 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.597 -19.071 1.811 1.00 0.00 H new ATOM 803 N LYS A 51 125.059 -16.286 2.897 1.00 0.00 N ATOM 804 CA LYS A 51 125.780 -17.105 1.898 1.00 0.00 C ATOM 805 C LYS A 51 127.042 -17.729 2.490 1.00 0.00 C ATOM 806 O LYS A 51 127.612 -18.669 1.935 1.00 0.00 O ATOM 807 CB LYS A 51 126.076 -16.313 0.570 1.00 0.00 C ATOM 808 CG LYS A 51 127.145 -15.185 0.593 1.00 0.00 C ATOM 809 CD LYS A 51 128.577 -15.731 0.651 1.00 0.00 C ATOM 810 CE LYS A 51 129.642 -14.650 0.561 1.00 0.00 C ATOM 811 NZ LYS A 51 129.611 -13.940 -0.733 1.00 0.00 N ATOM 0 H LYS A 51 125.038 -15.288 2.686 1.00 0.00 H new ATOM 0 HA LYS A 51 125.115 -17.923 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.377 -17.038 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.138 -15.872 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 51 127.032 -14.565 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.970 -14.541 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.709 -16.284 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.720 -16.440 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 51 129.499 -13.933 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 51 130.625 -15.099 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.574 -13.883 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 129.000 -14.456 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 129.236 -12.980 -0.593 1.00 0.00 H new ATOM 825 N LYS A 52 127.470 -17.170 3.602 1.00 0.00 N ATOM 826 CA LYS A 52 128.624 -17.632 4.365 1.00 0.00 C ATOM 827 C LYS A 52 128.362 -19.049 4.928 1.00 0.00 C ATOM 828 O LYS A 52 129.290 -19.762 5.295 1.00 0.00 O ATOM 829 CB LYS A 52 128.839 -16.643 5.510 1.00 0.00 C ATOM 830 CG LYS A 52 130.085 -16.824 6.350 1.00 0.00 C ATOM 831 CD LYS A 52 130.056 -15.863 7.532 1.00 0.00 C ATOM 832 CE LYS A 52 129.021 -16.284 8.581 1.00 0.00 C ATOM 833 NZ LYS A 52 128.891 -15.285 9.663 1.00 0.00 N ATOM 0 H LYS A 52 127.015 -16.357 4.017 1.00 0.00 H new ATOM 0 HA LYS A 52 129.508 -17.684 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.857 -15.637 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 52 127.974 -16.697 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.148 -17.852 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 52 130.973 -16.642 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 52 131.044 -15.822 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.827 -14.858 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 52 128.053 -16.425 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.308 -17.245 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 128.961 -15.761 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 129.651 -14.580 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 127.969 -14.810 9.588 1.00 0.00 H new ATOM 847 N SER A 53 127.101 -19.438 4.970 1.00 0.00 N ATOM 848 CA SER A 53 126.704 -20.728 5.484 1.00 0.00 C ATOM 849 C SER A 53 127.041 -21.844 4.480 1.00 0.00 C ATOM 850 O SER A 53 127.229 -21.592 3.283 1.00 0.00 O ATOM 851 CB SER A 53 125.198 -20.721 5.749 1.00 0.00 C ATOM 852 OG SER A 53 124.818 -19.574 6.502 1.00 0.00 O ATOM 0 H SER A 53 126.323 -18.863 4.646 1.00 0.00 H new ATOM 0 HA SER A 53 127.248 -20.919 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.658 -20.734 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 53 124.916 -21.625 6.289 1.00 0.00 H new ATOM 0 HG SER A 53 124.661 -18.821 5.895 1.00 0.00 H new ATOM 858 N LYS A 54 127.138 -23.052 4.976 1.00 0.00 N ATOM 859 CA LYS A 54 127.372 -24.217 4.144 1.00 0.00 C ATOM 860 C LYS A 54 126.395 -25.330 4.521 1.00 0.00 C ATOM 861 O LYS A 54 126.366 -26.396 3.905 1.00 0.00 O ATOM 862 CB LYS A 54 128.860 -24.671 4.244 1.00 0.00 C ATOM 863 CG LYS A 54 129.383 -24.981 5.662 1.00 0.00 C ATOM 864 CD LYS A 54 128.879 -26.313 6.203 1.00 0.00 C ATOM 865 CE LYS A 54 129.310 -26.534 7.633 1.00 0.00 C ATOM 866 NZ LYS A 54 128.879 -27.847 8.132 1.00 0.00 N ATOM 0 H LYS A 54 127.057 -23.261 5.971 1.00 0.00 H new ATOM 0 HA LYS A 54 127.190 -23.962 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.989 -25.562 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.486 -23.891 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.473 -24.990 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.079 -24.182 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 54 127.791 -26.342 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 129.255 -27.125 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.395 -26.456 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 54 128.893 -25.750 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 129.192 -27.964 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 127.842 -27.912 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 129.297 -28.596 7.544 1.00 0.00 H new ATOM 880 N GLY A 55 125.589 -25.057 5.528 1.00 0.00 N ATOM 881 CA GLY A 55 124.654 -26.020 6.027 1.00 0.00 C ATOM 882 C GLY A 55 123.284 -25.699 5.526 1.00 0.00 C ATOM 883 O GLY A 55 122.710 -24.688 5.933 1.00 0.00 O ATOM 0 H GLY A 55 125.571 -24.161 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.943 -27.021 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.663 -26.018 7.117 1.00 0.00 H new ATOM 887 N PRO A 56 122.719 -26.534 4.641 1.00 0.00 N ATOM 888 CA PRO A 56 121.436 -26.259 3.987 1.00 0.00 C ATOM 889 C PRO A 56 120.272 -26.062 4.958 1.00 0.00 C ATOM 890 O PRO A 56 119.342 -25.311 4.665 1.00 0.00 O ATOM 891 CB PRO A 56 121.211 -27.455 3.068 1.00 0.00 C ATOM 892 CG PRO A 56 122.554 -28.087 2.920 1.00 0.00 C ATOM 893 CD PRO A 56 123.284 -27.822 4.198 1.00 0.00 C ATOM 0 HA PRO A 56 121.474 -25.312 3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.492 -28.153 3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 56 120.814 -27.142 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.462 -29.158 2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.091 -27.665 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.114 -28.611 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.361 -27.758 4.042 1.00 0.00 H new ATOM 901 N GLN A 57 120.338 -26.694 6.122 1.00 0.00 N ATOM 902 CA GLN A 57 119.311 -26.520 7.134 1.00 0.00 C ATOM 903 C GLN A 57 119.331 -25.082 7.636 1.00 0.00 C ATOM 904 O GLN A 57 118.299 -24.428 7.691 1.00 0.00 O ATOM 905 CB GLN A 57 119.425 -27.525 8.326 1.00 0.00 C ATOM 906 CG GLN A 57 120.711 -27.466 9.181 1.00 0.00 C ATOM 907 CD GLN A 57 121.935 -28.153 8.578 1.00 0.00 C ATOM 908 OE1 GLN A 57 122.103 -28.245 7.363 1.00 0.00 O ATOM 909 NE2 GLN A 57 122.795 -28.632 9.425 1.00 0.00 N ATOM 0 H GLN A 57 121.091 -27.330 6.386 1.00 0.00 H new ATOM 0 HA GLN A 57 118.355 -26.739 6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 57 118.573 -27.363 8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.331 -28.535 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 57 120.957 -26.420 9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.503 -27.919 10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 57 122.629 -28.541 10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 57 123.637 -29.099 9.088 1.00 0.00 H new ATOM 918 N GLN A 58 120.539 -24.578 7.901 1.00 0.00 N ATOM 919 CA GLN A 58 120.743 -23.215 8.366 1.00 0.00 C ATOM 920 C GLN A 58 120.313 -22.251 7.272 1.00 0.00 C ATOM 921 O GLN A 58 119.756 -21.199 7.540 1.00 0.00 O ATOM 922 CB GLN A 58 122.224 -22.990 8.738 1.00 0.00 C ATOM 923 CG GLN A 58 122.555 -21.576 9.210 1.00 0.00 C ATOM 924 CD GLN A 58 121.818 -21.183 10.477 1.00 0.00 C ATOM 925 OE1 GLN A 58 120.708 -20.663 10.433 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.438 -21.378 11.600 1.00 0.00 N ATOM 0 H GLN A 58 121.403 -25.111 7.797 1.00 0.00 H new ATOM 0 HA GLN A 58 120.143 -23.039 9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.498 -23.694 9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.842 -23.223 7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.628 -21.499 9.383 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.308 -20.868 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 58 123.361 -21.813 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 58 122.003 -21.096 12.478 1.00 0.00 H new ATOM 935 N ILE A 59 120.555 -22.654 6.040 1.00 0.00 N ATOM 936 CA ILE A 59 120.166 -21.894 4.869 1.00 0.00 C ATOM 937 C ILE A 59 118.649 -21.701 4.825 1.00 0.00 C ATOM 938 O ILE A 59 118.186 -20.604 4.578 1.00 0.00 O ATOM 939 CB ILE A 59 120.702 -22.564 3.579 1.00 0.00 C ATOM 940 CG1 ILE A 59 122.237 -22.560 3.640 1.00 0.00 C ATOM 941 CG2 ILE A 59 120.185 -21.850 2.320 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.924 -23.402 2.600 1.00 0.00 C ATOM 0 H ILE A 59 121.033 -23.528 5.822 1.00 0.00 H new ATOM 0 HA ILE A 59 120.616 -20.903 4.933 1.00 0.00 H new ATOM 0 HB ILE A 59 120.340 -23.590 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.585 -21.532 3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.546 -22.906 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.580 -22.345 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 59 119.096 -21.887 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.512 -20.810 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 59 124.004 -23.331 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.613 -24.441 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.653 -23.045 1.606 1.00 0.00 H new ATOM 954 N HIS A 60 117.882 -22.762 5.119 1.00 0.00 N ATOM 955 CA HIS A 60 116.403 -22.642 5.180 1.00 0.00 C ATOM 956 C HIS A 60 115.997 -21.606 6.198 1.00 0.00 C ATOM 957 O HIS A 60 115.167 -20.741 5.920 1.00 0.00 O ATOM 958 CB HIS A 60 115.702 -23.964 5.550 1.00 0.00 C ATOM 959 CG HIS A 60 115.630 -24.986 4.471 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.570 -25.085 3.603 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.468 -25.978 4.141 1.00 0.00 C ATOM 962 CE1 HIS A 60 114.763 -26.094 2.793 1.00 0.00 C ATOM 963 NE2 HIS A 60 115.906 -26.651 3.091 1.00 0.00 N ATOM 0 H HIS A 60 118.243 -23.696 5.315 1.00 0.00 H new ATOM 0 HA HIS A 60 116.091 -22.353 4.176 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.220 -24.401 6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.687 -23.736 5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.411 -26.204 4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.091 -26.413 2.010 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.314 -27.457 2.618 1.00 0.00 H new ATOM 972 N LEU A 61 116.615 -21.688 7.354 1.00 0.00 N ATOM 973 CA LEU A 61 116.323 -20.822 8.480 1.00 0.00 C ATOM 974 C LEU A 61 116.639 -19.387 8.123 1.00 0.00 C ATOM 975 O LEU A 61 115.742 -18.537 8.056 1.00 0.00 O ATOM 976 CB LEU A 61 117.190 -21.230 9.651 1.00 0.00 C ATOM 977 CG LEU A 61 117.266 -22.713 9.932 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.248 -22.969 11.025 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.905 -23.288 10.263 1.00 0.00 C ATOM 0 H LEU A 61 117.349 -22.370 7.544 1.00 0.00 H new ATOM 0 HA LEU A 61 115.267 -20.910 8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.201 -20.861 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.818 -20.729 10.545 1.00 0.00 H new ATOM 0 HG LEU A 61 117.609 -23.220 9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.300 -24.039 11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.231 -22.608 10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.932 -22.447 11.928 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.999 -24.356 10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.505 -22.791 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 61 115.230 -23.132 9.422 1.00 0.00 H new ATOM 991 N LYS A 62 117.917 -19.152 7.866 1.00 0.00 N ATOM 992 CA LYS A 62 118.444 -17.835 7.498 1.00 0.00 C ATOM 993 C LYS A 62 117.685 -17.198 6.331 1.00 0.00 C ATOM 994 O LYS A 62 117.250 -16.049 6.434 1.00 0.00 O ATOM 995 CB LYS A 62 119.924 -17.932 7.137 1.00 0.00 C ATOM 996 CG LYS A 62 120.884 -18.199 8.281 1.00 0.00 C ATOM 997 CD LYS A 62 121.001 -17.000 9.194 1.00 0.00 C ATOM 998 CE LYS A 62 122.035 -17.235 10.286 1.00 0.00 C ATOM 999 NZ LYS A 62 122.156 -16.071 11.189 1.00 0.00 N ATOM 0 H LYS A 62 118.632 -19.878 7.906 1.00 0.00 H new ATOM 0 HA LYS A 62 118.311 -17.197 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.044 -18.725 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.219 -17.000 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.541 -19.061 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.866 -18.452 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.278 -16.122 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 62 120.032 -16.789 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.758 -18.116 10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 62 123.003 -17.444 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.870 -16.270 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.445 -15.235 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.239 -15.887 11.643 1.00 0.00 H new ATOM 1013 N ALA A 63 117.514 -17.943 5.237 1.00 0.00 N ATOM 1014 CA ALA A 63 116.848 -17.415 4.050 1.00 0.00 C ATOM 1015 C ALA A 63 115.437 -17.007 4.355 1.00 0.00 C ATOM 1016 O ALA A 63 115.040 -15.889 4.079 1.00 0.00 O ATOM 1017 CB ALA A 63 116.833 -18.425 2.910 1.00 0.00 C ATOM 0 H ALA A 63 117.827 -18.910 5.151 1.00 0.00 H new ATOM 0 HA ALA A 63 117.421 -16.542 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.328 -17.992 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.857 -18.684 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.303 -19.323 3.227 1.00 0.00 H new ATOM 1023 N LYS A 64 114.691 -17.894 4.969 1.00 0.00 N ATOM 1024 CA LYS A 64 113.286 -17.652 5.208 1.00 0.00 C ATOM 1025 C LYS A 64 113.083 -16.563 6.268 1.00 0.00 C ATOM 1026 O LYS A 64 112.042 -15.881 6.302 1.00 0.00 O ATOM 1027 CB LYS A 64 112.598 -18.949 5.571 1.00 0.00 C ATOM 1028 CG LYS A 64 111.097 -18.904 5.448 1.00 0.00 C ATOM 1029 CD LYS A 64 110.509 -20.293 5.503 1.00 0.00 C ATOM 1030 CE LYS A 64 109.022 -20.243 5.266 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.412 -21.584 5.225 1.00 0.00 N ATOM 0 H LYS A 64 115.033 -18.791 5.313 1.00 0.00 H new ATOM 0 HA LYS A 64 112.827 -17.276 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.981 -19.743 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.860 -19.213 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.681 -18.297 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.819 -18.424 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.982 -20.925 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.714 -20.744 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.551 -19.657 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.824 -19.728 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.389 -21.495 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.840 -22.137 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.576 -22.068 6.131 1.00 0.00 H new ATOM 1045 N ALA A 65 114.074 -16.391 7.114 1.00 0.00 N ATOM 1046 CA ALA A 65 114.071 -15.308 8.080 1.00 0.00 C ATOM 1047 C ALA A 65 114.191 -13.976 7.351 1.00 0.00 C ATOM 1048 O ALA A 65 113.351 -13.085 7.530 1.00 0.00 O ATOM 1049 CB ALA A 65 115.208 -15.463 9.071 1.00 0.00 C ATOM 0 H ALA A 65 114.899 -16.990 7.155 1.00 0.00 H new ATOM 0 HA ALA A 65 113.133 -15.337 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.184 -14.639 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.100 -16.408 9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.159 -15.454 8.538 1.00 0.00 H new ATOM 1055 N ILE A 66 115.221 -13.868 6.500 1.00 0.00 N ATOM 1056 CA ILE A 66 115.477 -12.663 5.696 1.00 0.00 C ATOM 1057 C ILE A 66 114.289 -12.402 4.762 1.00 0.00 C ATOM 1058 O ILE A 66 113.849 -11.267 4.583 1.00 0.00 O ATOM 1059 CB ILE A 66 116.795 -12.806 4.858 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.013 -13.025 5.783 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.005 -11.599 3.949 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.350 -13.167 5.060 1.00 0.00 C ATOM 0 H ILE A 66 115.901 -14.613 6.349 1.00 0.00 H new ATOM 0 HA ILE A 66 115.600 -11.820 6.376 1.00 0.00 H new ATOM 0 HB ILE A 66 116.693 -13.685 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.079 -12.188 6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.842 -13.921 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.926 -11.727 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.164 -11.511 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.075 -10.695 4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.145 -13.317 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.310 -14.023 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.551 -12.262 4.486 1.00 0.00 H new ATOM 1074 N TYR A 67 113.777 -13.476 4.205 1.00 0.00 N ATOM 1075 CA TYR A 67 112.609 -13.475 3.347 1.00 0.00 C ATOM 1076 C TYR A 67 111.430 -12.745 4.006 1.00 0.00 C ATOM 1077 O TYR A 67 110.996 -11.715 3.516 1.00 0.00 O ATOM 1078 CB TYR A 67 112.249 -14.931 3.033 1.00 0.00 C ATOM 1079 CG TYR A 67 110.953 -15.128 2.323 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.768 -14.657 1.046 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.909 -15.775 2.951 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.570 -14.816 0.401 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.711 -15.956 2.328 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.530 -15.479 1.057 1.00 0.00 C ATOM 1085 OH TYR A 67 107.309 -15.663 0.444 1.00 0.00 O ATOM 0 H TYR A 67 114.174 -14.406 4.340 1.00 0.00 H new ATOM 0 HA TYR A 67 112.831 -12.938 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.046 -15.362 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.221 -15.491 3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.580 -14.153 0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 67 110.044 -16.145 3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.432 -14.434 -0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.909 -16.473 2.834 1.00 0.00 H new ATOM 0 HH TYR A 67 106.708 -16.145 1.050 1.00 0.00 H new ATOM 1095 N GLU A 68 110.975 -13.225 5.146 1.00 0.00 N ATOM 1096 CA GLU A 68 109.810 -12.627 5.797 1.00 0.00 C ATOM 1097 C GLU A 68 110.122 -11.293 6.470 1.00 0.00 C ATOM 1098 O GLU A 68 109.211 -10.556 6.872 1.00 0.00 O ATOM 1099 CB GLU A 68 109.190 -13.570 6.796 1.00 0.00 C ATOM 1100 CG GLU A 68 108.638 -14.843 6.197 1.00 0.00 C ATOM 1101 CD GLU A 68 107.805 -15.600 7.182 1.00 0.00 C ATOM 1102 OE1 GLU A 68 108.349 -16.094 8.187 1.00 0.00 O ATOM 1103 OE2 GLU A 68 106.581 -15.707 6.981 1.00 0.00 O ATOM 0 H GLU A 68 111.383 -14.018 5.642 1.00 0.00 H new ATOM 0 HA GLU A 68 109.095 -12.432 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 68 109.939 -13.830 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.386 -13.050 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.037 -14.602 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.461 -15.472 5.856 1.00 0.00 H new ATOM 1110 N LYS A 69 111.381 -10.997 6.590 1.00 0.00 N ATOM 1111 CA LYS A 69 111.830 -9.777 7.215 1.00 0.00 C ATOM 1112 C LYS A 69 111.884 -8.638 6.186 1.00 0.00 C ATOM 1113 O LYS A 69 111.647 -7.470 6.518 1.00 0.00 O ATOM 1114 CB LYS A 69 113.239 -10.000 7.779 1.00 0.00 C ATOM 1115 CG LYS A 69 113.717 -8.952 8.759 1.00 0.00 C ATOM 1116 CD LYS A 69 112.973 -9.082 10.068 1.00 0.00 C ATOM 1117 CE LYS A 69 113.444 -8.062 11.086 1.00 0.00 C ATOM 1118 NZ LYS A 69 112.783 -8.237 12.392 1.00 0.00 N ATOM 0 H LYS A 69 112.136 -11.596 6.256 1.00 0.00 H new ATOM 0 HA LYS A 69 111.135 -9.507 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.266 -10.972 8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.942 -10.044 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.788 -9.064 8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.563 -7.957 8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 69 111.905 -8.955 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.113 -10.086 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 69 114.523 -8.148 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 69 113.246 -7.058 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 113.134 -7.519 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 111.755 -8.130 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 112.993 -9.186 12.763 1.00 0.00 H new ATOM 1132 N PHE A 70 112.121 -8.993 4.933 1.00 0.00 N ATOM 1133 CA PHE A 70 112.415 -8.012 3.905 1.00 0.00 C ATOM 1134 C PHE A 70 111.626 -8.263 2.633 1.00 0.00 C ATOM 1135 O PHE A 70 110.900 -7.406 2.162 1.00 0.00 O ATOM 1136 CB PHE A 70 113.911 -8.064 3.545 1.00 0.00 C ATOM 1137 CG PHE A 70 114.876 -7.616 4.605 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.108 -6.270 4.816 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.579 -8.537 5.356 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.018 -5.850 5.758 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.488 -8.126 6.306 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.708 -6.781 6.505 1.00 0.00 C ATOM 0 H PHE A 70 112.115 -9.959 4.604 1.00 0.00 H new ATOM 0 HA PHE A 70 112.138 -7.038 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.159 -9.089 3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.069 -7.449 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.568 -5.538 4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.414 -9.592 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.191 -4.795 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.026 -8.856 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.422 -6.455 7.247 1.00 0.00 H new ATOM 1152 N ILE A 71 111.805 -9.447 2.091 1.00 0.00 N ATOM 1153 CA ILE A 71 111.223 -9.876 0.810 1.00 0.00 C ATOM 1154 C ILE A 71 109.691 -9.946 0.880 1.00 0.00 C ATOM 1155 O ILE A 71 108.985 -9.849 -0.144 1.00 0.00 O ATOM 1156 CB ILE A 71 111.828 -11.263 0.404 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.348 -11.178 0.348 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.271 -11.819 -0.911 1.00 0.00 C ATOM 1159 CD1 ILE A 71 113.864 -10.129 -0.603 1.00 0.00 C ATOM 0 H ILE A 71 112.374 -10.170 2.532 1.00 0.00 H new ATOM 0 HA ILE A 71 111.473 -9.136 0.049 1.00 0.00 H new ATOM 0 HB ILE A 71 111.526 -11.968 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.728 -10.967 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.746 -12.149 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.737 -12.781 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.192 -11.950 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.487 -11.122 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 71 114.954 -10.129 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.515 -10.349 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.497 -9.149 -0.298 1.00 0.00 H new ATOM 1171 N GLN A 72 109.195 -10.119 2.078 1.00 0.00 N ATOM 1172 CA GLN A 72 107.767 -10.138 2.323 1.00 0.00 C ATOM 1173 C GLN A 72 107.196 -8.735 2.024 1.00 0.00 C ATOM 1174 O GLN A 72 107.852 -7.734 2.266 1.00 0.00 O ATOM 1175 CB GLN A 72 107.508 -10.509 3.792 1.00 0.00 C ATOM 1176 CG GLN A 72 106.041 -10.661 4.171 1.00 0.00 C ATOM 1177 CD GLN A 72 105.423 -11.955 3.691 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.830 -12.524 2.683 1.00 0.00 O ATOM 1179 NE2 GLN A 72 104.424 -12.412 4.385 1.00 0.00 N ATOM 0 H GLN A 72 109.765 -10.251 2.914 1.00 0.00 H new ATOM 0 HA GLN A 72 107.283 -10.874 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.022 -11.445 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 72 107.954 -9.744 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 72 105.947 -10.603 5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.479 -9.824 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 72 104.111 -11.914 5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 72 103.952 -13.269 4.097 1.00 0.00 H new ATOM 1188 N THR A 73 106.001 -8.668 1.524 1.00 0.00 N ATOM 1189 CA THR A 73 105.388 -7.397 1.212 1.00 0.00 C ATOM 1190 C THR A 73 104.780 -6.788 2.494 1.00 0.00 C ATOM 1191 O THR A 73 104.863 -5.582 2.757 1.00 0.00 O ATOM 1192 CB THR A 73 104.327 -7.569 0.098 1.00 0.00 C ATOM 1193 OG1 THR A 73 104.966 -8.078 -1.099 1.00 0.00 O ATOM 1194 CG2 THR A 73 103.641 -6.258 -0.209 1.00 0.00 C ATOM 0 H THR A 73 105.420 -9.481 1.319 1.00 0.00 H new ATOM 0 HA THR A 73 106.144 -6.709 0.835 1.00 0.00 H new ATOM 0 HB THR A 73 103.572 -8.274 0.446 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.296 -8.189 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 73 102.901 -6.410 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.146 -5.887 0.689 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.380 -5.530 -0.542 1.00 0.00 H new ATOM 1202 N ASP A 74 104.208 -7.635 3.303 1.00 0.00 N ATOM 1203 CA ASP A 74 103.683 -7.234 4.612 1.00 0.00 C ATOM 1204 C ASP A 74 104.768 -7.346 5.692 1.00 0.00 C ATOM 1205 O ASP A 74 104.480 -7.358 6.900 1.00 0.00 O ATOM 1206 CB ASP A 74 102.413 -8.032 5.002 1.00 0.00 C ATOM 1207 CG ASP A 74 102.601 -9.531 5.106 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.006 -10.031 6.178 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.285 -10.249 4.133 1.00 0.00 O ATOM 0 H ASP A 74 104.085 -8.625 3.090 1.00 0.00 H new ATOM 0 HA ASP A 74 103.385 -6.188 4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.049 -7.660 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 74 101.635 -7.830 4.265 1.00 0.00 H new ATOM 1214 N ALA A 75 106.023 -7.347 5.242 1.00 0.00 N ATOM 1215 CA ALA A 75 107.194 -7.446 6.106 1.00 0.00 C ATOM 1216 C ALA A 75 107.286 -6.249 7.029 1.00 0.00 C ATOM 1217 O ALA A 75 106.756 -5.174 6.710 1.00 0.00 O ATOM 1218 CB ALA A 75 108.464 -7.507 5.267 1.00 0.00 C ATOM 0 H ALA A 75 106.255 -7.278 4.251 1.00 0.00 H new ATOM 0 HA ALA A 75 107.092 -8.355 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.331 -7.581 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.428 -8.380 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.544 -6.604 4.661 1.00 0.00 H new ATOM 1224 N PRO A 76 107.971 -6.398 8.180 1.00 0.00 N ATOM 1225 CA PRO A 76 108.187 -5.293 9.121 1.00 0.00 C ATOM 1226 C PRO A 76 109.059 -4.212 8.484 1.00 0.00 C ATOM 1227 O PRO A 76 109.039 -3.046 8.880 1.00 0.00 O ATOM 1228 CB PRO A 76 108.934 -5.953 10.290 1.00 0.00 C ATOM 1229 CG PRO A 76 109.532 -7.188 9.712 1.00 0.00 C ATOM 1230 CD PRO A 76 108.574 -7.659 8.669 1.00 0.00 C ATOM 0 HA PRO A 76 107.259 -4.808 9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 76 109.702 -5.292 10.692 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.256 -6.189 11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.511 -6.982 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.677 -7.948 10.480 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.081 -8.201 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 76 107.823 -8.331 9.084 1.00 0.00 H new ATOM 1238 N LYS A 77 109.822 -4.613 7.499 1.00 0.00 N ATOM 1239 CA LYS A 77 110.656 -3.710 6.771 1.00 0.00 C ATOM 1240 C LYS A 77 110.055 -3.405 5.407 1.00 0.00 C ATOM 1241 O LYS A 77 109.617 -2.274 5.168 1.00 0.00 O ATOM 1242 CB LYS A 77 112.086 -4.280 6.623 1.00 0.00 C ATOM 1243 CG LYS A 77 112.991 -3.496 5.666 1.00 0.00 C ATOM 1244 CD LYS A 77 113.245 -2.070 6.121 1.00 0.00 C ATOM 1245 CE LYS A 77 114.149 -2.022 7.329 1.00 0.00 C ATOM 1246 NZ LYS A 77 114.455 -0.637 7.726 1.00 0.00 N ATOM 0 H LYS A 77 109.878 -5.581 7.183 1.00 0.00 H new ATOM 0 HA LYS A 77 110.719 -2.778 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.556 -4.306 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 77 112.018 -5.311 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 77 113.944 -4.016 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 77 112.535 -3.480 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 77 113.696 -1.503 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 77 112.296 -1.589 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 77 113.673 -2.542 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 77 115.076 -2.551 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 115.273 -0.633 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.676 -0.074 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 113.632 -0.225 8.211 1.00 0.00 H new ATOM 1260 N GLU A 78 109.999 -4.443 4.553 1.00 0.00 N ATOM 1261 CA GLU A 78 109.639 -4.328 3.135 1.00 0.00 C ATOM 1262 C GLU A 78 110.795 -3.649 2.386 1.00 0.00 C ATOM 1263 O GLU A 78 111.393 -2.670 2.864 1.00 0.00 O ATOM 1264 CB GLU A 78 108.296 -3.591 2.888 1.00 0.00 C ATOM 1265 CG GLU A 78 107.995 -3.273 1.415 1.00 0.00 C ATOM 1266 CD GLU A 78 107.741 -4.490 0.537 1.00 0.00 C ATOM 1267 OE1 GLU A 78 108.693 -5.211 0.167 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.575 -4.724 0.171 1.00 0.00 O ATOM 0 H GLU A 78 110.207 -5.400 4.838 1.00 0.00 H new ATOM 0 HA GLU A 78 109.480 -5.336 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 78 107.485 -4.201 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.301 -2.659 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.122 -2.622 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.833 -2.712 1.001 1.00 0.00 H new ATOM 1275 N VAL A 79 111.115 -4.155 1.255 1.00 0.00 N ATOM 1276 CA VAL A 79 112.231 -3.658 0.505 1.00 0.00 C ATOM 1277 C VAL A 79 111.713 -2.989 -0.742 1.00 0.00 C ATOM 1278 O VAL A 79 110.682 -3.396 -1.295 1.00 0.00 O ATOM 1279 CB VAL A 79 113.207 -4.822 0.113 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.441 -4.338 -0.616 1.00 0.00 C ATOM 1281 CG2 VAL A 79 113.626 -5.600 1.321 1.00 0.00 C ATOM 0 H VAL A 79 110.617 -4.927 0.812 1.00 0.00 H new ATOM 0 HA VAL A 79 112.784 -2.946 1.117 1.00 0.00 H new ATOM 0 HB VAL A 79 112.647 -5.463 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.077 -5.189 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.146 -3.831 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 79 114.991 -3.645 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.302 -6.401 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.135 -4.938 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 79 112.746 -6.029 1.801 1.00 0.00 H new ATOM 1291 N ASN A 80 112.410 -1.973 -1.199 1.00 0.00 N ATOM 1292 CA ASN A 80 112.093 -1.295 -2.466 1.00 0.00 C ATOM 1293 C ASN A 80 112.620 -2.151 -3.631 1.00 0.00 C ATOM 1294 O ASN A 80 113.260 -1.675 -4.570 1.00 0.00 O ATOM 1295 CB ASN A 80 112.712 0.116 -2.487 1.00 0.00 C ATOM 1296 CG ASN A 80 112.095 1.049 -1.456 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.123 1.755 -1.736 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.639 1.070 -0.261 1.00 0.00 N ATOM 0 H ASN A 80 113.217 -1.582 -0.712 1.00 0.00 H new ATOM 0 HA ASN A 80 111.014 -1.181 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.784 0.040 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.587 0.547 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.258 1.680 0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.442 0.476 -0.056 1.00 0.00 H new ATOM 1305 N LEU A 81 112.305 -3.413 -3.542 1.00 0.00 N ATOM 1306 CA LEU A 81 112.715 -4.445 -4.439 1.00 0.00 C ATOM 1307 C LEU A 81 111.703 -4.562 -5.574 1.00 0.00 C ATOM 1308 O LEU A 81 110.623 -3.970 -5.514 1.00 0.00 O ATOM 1309 CB LEU A 81 112.776 -5.744 -3.616 1.00 0.00 C ATOM 1310 CG LEU A 81 113.189 -7.016 -4.311 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.640 -6.928 -4.677 1.00 0.00 C ATOM 1312 CD2 LEU A 81 112.916 -8.229 -3.425 1.00 0.00 C ATOM 0 H LEU A 81 111.715 -3.766 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 81 113.687 -4.234 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.465 -5.580 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.790 -5.908 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 81 112.601 -7.139 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 81 114.945 -7.846 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.796 -6.080 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.236 -6.795 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.221 -9.136 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.480 -8.136 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 81 111.851 -8.282 -3.198 1.00 0.00 H new ATOM 1324 N ASP A 82 112.044 -5.298 -6.588 1.00 0.00 N ATOM 1325 CA ASP A 82 111.164 -5.496 -7.717 1.00 0.00 C ATOM 1326 C ASP A 82 110.157 -6.597 -7.403 1.00 0.00 C ATOM 1327 O ASP A 82 110.466 -7.543 -6.648 1.00 0.00 O ATOM 1328 CB ASP A 82 111.971 -5.850 -8.956 1.00 0.00 C ATOM 1329 CG ASP A 82 111.115 -6.068 -10.166 1.00 0.00 C ATOM 1330 OD1 ASP A 82 110.767 -5.098 -10.838 1.00 0.00 O ATOM 1331 OD2 ASP A 82 110.768 -7.216 -10.452 1.00 0.00 O ATOM 0 H ASP A 82 112.939 -5.782 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 82 110.622 -4.571 -7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 82 112.683 -5.051 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 82 112.551 -6.752 -8.760 1.00 0.00 H new ATOM 1336 N PHE A 83 108.966 -6.479 -7.969 1.00 0.00 N ATOM 1337 CA PHE A 83 107.882 -7.422 -7.727 1.00 0.00 C ATOM 1338 C PHE A 83 108.197 -8.812 -8.287 1.00 0.00 C ATOM 1339 O PHE A 83 107.767 -9.821 -7.734 1.00 0.00 O ATOM 1340 CB PHE A 83 106.537 -6.888 -8.282 1.00 0.00 C ATOM 1341 CG PHE A 83 106.511 -6.639 -9.773 1.00 0.00 C ATOM 1342 CD1 PHE A 83 106.965 -5.440 -10.300 1.00 0.00 C ATOM 1343 CD2 PHE A 83 106.028 -7.608 -10.644 1.00 0.00 C ATOM 1344 CE1 PHE A 83 106.941 -5.213 -11.659 1.00 0.00 C ATOM 1345 CE2 PHE A 83 106.002 -7.384 -12.005 1.00 0.00 C ATOM 1346 CZ PHE A 83 106.459 -6.186 -12.512 1.00 0.00 C ATOM 0 H PHE A 83 108.722 -5.725 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 83 107.783 -7.524 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 83 105.751 -7.602 -8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.295 -5.957 -7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 83 107.342 -4.675 -9.638 1.00 0.00 H new ATOM 0 HD2 PHE A 83 105.669 -8.548 -10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 83 107.299 -4.275 -12.057 1.00 0.00 H new ATOM 0 HE2 PHE A 83 105.625 -8.145 -12.672 1.00 0.00 H new ATOM 0 HZ PHE A 83 106.440 -6.009 -13.577 1.00 0.00 H new ATOM 1356 N HIS A 84 108.973 -8.866 -9.355 1.00 0.00 N ATOM 1357 CA HIS A 84 109.348 -10.131 -9.957 1.00 0.00 C ATOM 1358 C HIS A 84 110.473 -10.759 -9.159 1.00 0.00 C ATOM 1359 O HIS A 84 110.557 -11.982 -9.051 1.00 0.00 O ATOM 1360 CB HIS A 84 109.740 -9.952 -11.445 1.00 0.00 C ATOM 1361 CG HIS A 84 110.313 -11.183 -12.107 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.552 -12.243 -12.511 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.592 -11.512 -12.407 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.322 -13.168 -13.028 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.563 -12.752 -12.979 1.00 0.00 N ATOM 0 H HIS A 84 109.356 -8.045 -9.824 1.00 0.00 H new ATOM 0 HA HIS A 84 108.488 -10.800 -9.935 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.858 -9.636 -12.002 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.470 -9.145 -11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.469 -10.908 -12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.989 -14.115 -13.428 1.00 0.00 H new ATOM 0 HE2 HIS A 84 112.376 -13.270 -13.314 1.00 0.00 H new ATOM 1374 N THR A 85 111.323 -9.926 -8.598 1.00 0.00 N ATOM 1375 CA THR A 85 112.407 -10.408 -7.791 1.00 0.00 C ATOM 1376 C THR A 85 111.872 -11.139 -6.571 1.00 0.00 C ATOM 1377 O THR A 85 112.199 -12.310 -6.354 1.00 0.00 O ATOM 1378 CB THR A 85 113.305 -9.271 -7.334 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.697 -8.496 -8.465 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.534 -9.831 -6.658 1.00 0.00 C ATOM 0 H THR A 85 111.278 -8.911 -8.690 1.00 0.00 H new ATOM 0 HA THR A 85 112.993 -11.092 -8.405 1.00 0.00 H new ATOM 0 HB THR A 85 112.762 -8.642 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 85 114.651 -8.634 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.175 -9.012 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.235 -10.424 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.080 -10.462 -7.360 1.00 0.00 H new ATOM 1388 N LYS A 86 111.015 -10.461 -5.796 1.00 0.00 N ATOM 1389 CA LYS A 86 110.434 -11.084 -4.620 1.00 0.00 C ATOM 1390 C LYS A 86 109.617 -12.302 -5.002 1.00 0.00 C ATOM 1391 O LYS A 86 109.624 -13.292 -4.299 1.00 0.00 O ATOM 1392 CB LYS A 86 109.622 -10.102 -3.744 1.00 0.00 C ATOM 1393 CG LYS A 86 108.502 -9.337 -4.441 1.00 0.00 C ATOM 1394 CD LYS A 86 107.618 -8.584 -3.433 1.00 0.00 C ATOM 1395 CE LYS A 86 108.405 -7.614 -2.550 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.531 -6.944 -1.558 1.00 0.00 N ATOM 0 H LYS A 86 110.719 -9.500 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 86 111.267 -11.411 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.189 -10.662 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.313 -9.378 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 86 108.931 -8.629 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.889 -10.031 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 86 106.850 -8.031 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.104 -9.307 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.197 -8.155 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.888 -6.863 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.093 -6.676 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.114 -6.091 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 106.772 -7.594 -1.269 1.00 0.00 H new ATOM 1410 N GLU A 87 108.969 -12.225 -6.149 1.00 0.00 N ATOM 1411 CA GLU A 87 108.184 -13.326 -6.695 1.00 0.00 C ATOM 1412 C GLU A 87 109.033 -14.599 -6.811 1.00 0.00 C ATOM 1413 O GLU A 87 108.691 -15.641 -6.243 1.00 0.00 O ATOM 1414 CB GLU A 87 107.635 -12.940 -8.065 1.00 0.00 C ATOM 1415 CG GLU A 87 106.794 -14.002 -8.727 1.00 0.00 C ATOM 1416 CD GLU A 87 105.589 -14.373 -7.915 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.783 -13.486 -7.573 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.426 -15.552 -7.582 1.00 0.00 O ATOM 0 H GLU A 87 108.970 -11.391 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 87 107.355 -13.528 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.037 -12.035 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.471 -12.696 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.472 -13.647 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 87 107.403 -14.891 -8.894 1.00 0.00 H new ATOM 1425 N VAL A 88 110.159 -14.504 -7.481 1.00 0.00 N ATOM 1426 CA VAL A 88 111.018 -15.663 -7.662 1.00 0.00 C ATOM 1427 C VAL A 88 111.507 -16.184 -6.305 1.00 0.00 C ATOM 1428 O VAL A 88 111.542 -17.397 -6.070 1.00 0.00 O ATOM 1429 CB VAL A 88 112.213 -15.372 -8.603 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.054 -16.625 -8.801 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.712 -14.865 -9.945 1.00 0.00 C ATOM 0 H VAL A 88 110.504 -13.645 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 88 110.419 -16.436 -8.143 1.00 0.00 H new ATOM 0 HB VAL A 88 112.835 -14.604 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.889 -16.402 -9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.437 -16.962 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.439 -17.410 -9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.561 -14.664 -10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 88 111.073 -15.619 -10.403 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.142 -13.947 -9.798 1.00 0.00 H new ATOM 1441 N ILE A 89 111.794 -15.262 -5.394 1.00 0.00 N ATOM 1442 CA ILE A 89 112.238 -15.617 -4.052 1.00 0.00 C ATOM 1443 C ILE A 89 111.136 -16.367 -3.305 1.00 0.00 C ATOM 1444 O ILE A 89 111.406 -17.367 -2.681 1.00 0.00 O ATOM 1445 CB ILE A 89 112.662 -14.378 -3.224 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.748 -13.597 -3.959 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.148 -14.790 -1.821 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.170 -12.340 -3.248 1.00 0.00 C ATOM 0 H ILE A 89 111.727 -14.258 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 89 113.111 -16.258 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 89 111.790 -13.735 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.619 -14.239 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.387 -13.338 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.439 -13.901 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.344 -15.304 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 89 114.005 -15.457 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.944 -11.837 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.311 -11.678 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.561 -12.593 -2.263 1.00 0.00 H new ATOM 1460 N THR A 90 109.888 -15.898 -3.415 1.00 0.00 N ATOM 1461 CA THR A 90 108.769 -16.538 -2.717 1.00 0.00 C ATOM 1462 C THR A 90 108.625 -18.009 -3.128 1.00 0.00 C ATOM 1463 O THR A 90 108.364 -18.877 -2.307 1.00 0.00 O ATOM 1464 CB THR A 90 107.404 -15.783 -2.917 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.993 -15.777 -4.301 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.496 -14.350 -2.436 1.00 0.00 C ATOM 0 H THR A 90 109.629 -15.086 -3.975 1.00 0.00 H new ATOM 0 HA THR A 90 109.011 -16.487 -1.655 1.00 0.00 H new ATOM 0 HB THR A 90 106.664 -16.323 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.776 -15.912 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.538 -13.853 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.748 -14.338 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.269 -13.826 -2.999 1.00 0.00 H new ATOM 1474 N ASN A 91 108.881 -18.287 -4.390 1.00 0.00 N ATOM 1475 CA ASN A 91 108.754 -19.646 -4.897 1.00 0.00 C ATOM 1476 C ASN A 91 110.006 -20.457 -4.629 1.00 0.00 C ATOM 1477 O ASN A 91 109.958 -21.678 -4.543 1.00 0.00 O ATOM 1478 CB ASN A 91 108.437 -19.660 -6.397 1.00 0.00 C ATOM 1479 CG ASN A 91 107.104 -19.027 -6.726 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.073 -19.692 -6.731 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.112 -17.751 -7.018 1.00 0.00 N ATOM 0 H ASN A 91 109.176 -17.599 -5.082 1.00 0.00 H new ATOM 0 HA ASN A 91 107.922 -20.104 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.226 -19.133 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.442 -20.690 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 91 106.241 -17.278 -7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.989 -17.230 -7.003 1.00 0.00 H new ATOM 1488 N SER A 92 111.113 -19.790 -4.464 1.00 0.00 N ATOM 1489 CA SER A 92 112.378 -20.468 -4.288 1.00 0.00 C ATOM 1490 C SER A 92 112.842 -20.445 -2.831 1.00 0.00 C ATOM 1491 O SER A 92 113.920 -20.914 -2.519 1.00 0.00 O ATOM 1492 CB SER A 92 113.418 -19.818 -5.196 1.00 0.00 C ATOM 1493 OG SER A 92 112.937 -19.783 -6.542 1.00 0.00 O ATOM 0 H SER A 92 111.171 -18.772 -4.447 1.00 0.00 H new ATOM 0 HA SER A 92 112.251 -21.516 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 92 113.633 -18.807 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 92 114.353 -20.376 -5.149 1.00 0.00 H new ATOM 0 HG SER A 92 112.388 -18.982 -6.672 1.00 0.00 H new ATOM 1499 N ILE A 93 112.012 -19.940 -1.943 1.00 0.00 N ATOM 1500 CA ILE A 93 112.401 -19.824 -0.548 1.00 0.00 C ATOM 1501 C ILE A 93 112.210 -21.173 0.152 1.00 0.00 C ATOM 1502 O ILE A 93 112.872 -21.480 1.140 1.00 0.00 O ATOM 1503 CB ILE A 93 111.619 -18.682 0.183 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.278 -18.332 1.515 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.162 -19.040 0.388 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.647 -17.686 1.356 1.00 0.00 C ATOM 0 H ILE A 93 111.072 -19.605 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 93 113.455 -19.551 -0.505 1.00 0.00 H new ATOM 0 HB ILE A 93 111.656 -17.804 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.627 -17.656 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.378 -19.238 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.655 -18.221 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.690 -19.213 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 93 110.091 -19.944 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.060 -17.462 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.313 -18.370 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.550 -16.763 0.785 1.00 0.00 H new ATOM 1518 N THR A 94 111.306 -21.977 -0.396 1.00 0.00 N ATOM 1519 CA THR A 94 111.061 -23.333 0.073 1.00 0.00 C ATOM 1520 C THR A 94 112.314 -24.213 -0.155 1.00 0.00 C ATOM 1521 O THR A 94 112.561 -25.174 0.574 1.00 0.00 O ATOM 1522 CB THR A 94 109.797 -23.944 -0.629 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.529 -25.292 -0.179 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.943 -23.924 -2.150 1.00 0.00 C ATOM 0 H THR A 94 110.719 -21.703 -1.184 1.00 0.00 H new ATOM 0 HA THR A 94 110.860 -23.302 1.144 1.00 0.00 H new ATOM 0 HB THR A 94 108.950 -23.317 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.735 -25.638 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 94 109.052 -24.354 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 94 110.065 -22.896 -2.490 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.816 -24.508 -2.439 1.00 0.00 H new ATOM 1532 N GLN A 95 113.119 -23.837 -1.127 1.00 0.00 N ATOM 1533 CA GLN A 95 114.339 -24.527 -1.446 1.00 0.00 C ATOM 1534 C GLN A 95 115.443 -23.500 -1.676 1.00 0.00 C ATOM 1535 O GLN A 95 115.810 -23.190 -2.814 1.00 0.00 O ATOM 1536 CB GLN A 95 114.160 -25.480 -2.644 1.00 0.00 C ATOM 1537 CG GLN A 95 113.511 -24.849 -3.878 1.00 0.00 C ATOM 1538 CD GLN A 95 113.403 -25.816 -5.038 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.283 -27.022 -4.849 1.00 0.00 O ATOM 1540 NE2 GLN A 95 113.434 -25.303 -6.234 1.00 0.00 N ATOM 0 H GLN A 95 112.936 -23.030 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 95 114.625 -25.162 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 95 115.137 -25.873 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 95 113.554 -26.329 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.516 -24.489 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 95 114.094 -23.981 -4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 95 113.535 -24.295 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 95 113.357 -25.909 -7.051 1.00 0.00 H new ATOM 1549 N PRO A 96 115.945 -22.908 -0.599 1.00 0.00 N ATOM 1550 CA PRO A 96 116.913 -21.840 -0.682 1.00 0.00 C ATOM 1551 C PRO A 96 118.311 -22.306 -1.071 1.00 0.00 C ATOM 1552 O PRO A 96 118.614 -23.515 -1.137 1.00 0.00 O ATOM 1553 CB PRO A 96 116.907 -21.243 0.718 1.00 0.00 C ATOM 1554 CG PRO A 96 116.555 -22.387 1.593 1.00 0.00 C ATOM 1555 CD PRO A 96 115.602 -23.223 0.797 1.00 0.00 C ATOM 0 HA PRO A 96 116.649 -21.131 -1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.880 -20.826 0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 96 116.180 -20.435 0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.442 -22.958 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 96 116.096 -22.045 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.726 -24.285 1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.565 -22.972 1.021 1.00 0.00 H new ATOM 1563 N THR A 97 119.114 -21.344 -1.312 1.00 0.00 N ATOM 1564 CA THR A 97 120.469 -21.448 -1.724 1.00 0.00 C ATOM 1565 C THR A 97 121.220 -20.343 -1.019 1.00 0.00 C ATOM 1566 O THR A 97 120.614 -19.611 -0.257 1.00 0.00 O ATOM 1567 CB THR A 97 120.552 -21.251 -3.246 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.604 -20.225 -3.653 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.267 -22.549 -3.970 1.00 0.00 C ATOM 0 H THR A 97 118.818 -20.372 -1.219 1.00 0.00 H new ATOM 0 HA THR A 97 120.890 -22.423 -1.480 1.00 0.00 H new ATOM 0 HB THR A 97 121.561 -20.934 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.657 -20.097 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.331 -22.387 -5.046 1.00 0.00 H new ATOM 0 HG22 THR A 97 120.999 -23.300 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.266 -22.896 -3.714 1.00 0.00 H new ATOM 1577 N LEU A 98 122.488 -20.183 -1.286 1.00 0.00 N ATOM 1578 CA LEU A 98 123.268 -19.152 -0.612 1.00 0.00 C ATOM 1579 C LEU A 98 122.869 -17.788 -1.137 1.00 0.00 C ATOM 1580 O LEU A 98 122.822 -16.799 -0.404 1.00 0.00 O ATOM 1581 CB LEU A 98 124.787 -19.352 -0.794 1.00 0.00 C ATOM 1582 CG LEU A 98 125.406 -20.672 -0.312 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.928 -21.040 1.077 1.00 0.00 C ATOM 1584 CD2 LEU A 98 125.181 -21.794 -1.304 1.00 0.00 C ATOM 0 H LEU A 98 123.010 -20.744 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 98 123.054 -19.225 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 98 125.012 -19.246 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.295 -18.537 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 98 126.483 -20.518 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.388 -21.980 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 98 125.208 -20.254 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 98 123.844 -21.152 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 98 125.634 -22.710 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 98 124.111 -21.948 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 98 125.636 -21.532 -2.259 1.00 0.00 H new ATOM 1596 N HIS A 99 122.580 -17.738 -2.405 1.00 0.00 N ATOM 1597 CA HIS A 99 122.137 -16.523 -3.023 1.00 0.00 C ATOM 1598 C HIS A 99 120.701 -16.613 -3.501 1.00 0.00 C ATOM 1599 O HIS A 99 120.409 -16.432 -4.669 1.00 0.00 O ATOM 1600 CB HIS A 99 123.088 -16.034 -4.134 1.00 0.00 C ATOM 1601 CG HIS A 99 124.268 -15.237 -3.640 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.225 -14.714 -4.477 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.585 -14.800 -2.398 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.067 -13.982 -3.777 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.703 -14.014 -2.511 1.00 0.00 N ATOM 0 H HIS A 99 122.645 -18.536 -3.038 1.00 0.00 H new ATOM 0 HA HIS A 99 122.165 -15.762 -2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.455 -16.899 -4.687 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.522 -15.423 -4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.054 -15.029 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.915 -13.445 -4.175 1.00 0.00 H new ATOM 0 HE2 HIS A 99 126.174 -13.535 -1.744 1.00 0.00 H new ATOM 1614 N SER A 100 119.791 -16.887 -2.575 1.00 0.00 N ATOM 1615 CA SER A 100 118.360 -16.910 -2.895 1.00 0.00 C ATOM 1616 C SER A 100 117.841 -15.493 -3.084 1.00 0.00 C ATOM 1617 O SER A 100 116.734 -15.262 -3.562 1.00 0.00 O ATOM 1618 CB SER A 100 117.597 -17.613 -1.790 1.00 0.00 C ATOM 1619 OG SER A 100 118.108 -18.900 -1.637 1.00 0.00 O ATOM 0 H SER A 100 120.011 -17.096 -1.601 1.00 0.00 H new ATOM 0 HA SER A 100 118.212 -17.457 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.688 -17.058 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.535 -17.655 -2.033 1.00 0.00 H new ATOM 0 HG SER A 100 118.601 -19.155 -2.445 1.00 0.00 H new ATOM 1625 N PHE A 101 118.660 -14.558 -2.708 1.00 0.00 N ATOM 1626 CA PHE A 101 118.345 -13.173 -2.829 1.00 0.00 C ATOM 1627 C PHE A 101 119.307 -12.554 -3.844 1.00 0.00 C ATOM 1628 O PHE A 101 119.564 -11.365 -3.806 1.00 0.00 O ATOM 1629 CB PHE A 101 118.503 -12.497 -1.453 1.00 0.00 C ATOM 1630 CG PHE A 101 117.792 -13.225 -0.329 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.427 -13.094 -0.138 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.500 -14.058 0.525 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.791 -13.780 0.886 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.865 -14.738 1.537 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.515 -14.597 1.714 1.00 0.00 C ATOM 0 H PHE A 101 119.578 -14.742 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 101 117.318 -13.035 -3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.564 -12.425 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.120 -11.478 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.853 -12.453 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.566 -14.174 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.726 -13.670 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.431 -15.383 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.018 -15.132 2.510 1.00 0.00 H new ATOM 1645 N ASP A 102 119.800 -13.381 -4.788 1.00 0.00 N ATOM 1646 CA ASP A 102 120.806 -12.934 -5.780 1.00 0.00 C ATOM 1647 C ASP A 102 120.262 -11.845 -6.688 1.00 0.00 C ATOM 1648 O ASP A 102 120.948 -10.858 -6.967 1.00 0.00 O ATOM 1649 CB ASP A 102 121.374 -14.098 -6.644 1.00 0.00 C ATOM 1650 CG ASP A 102 120.446 -14.600 -7.753 1.00 0.00 C ATOM 1651 OD1 ASP A 102 120.506 -14.055 -8.885 1.00 0.00 O ATOM 1652 OD2 ASP A 102 119.672 -15.557 -7.541 1.00 0.00 O ATOM 0 H ASP A 102 119.521 -14.357 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 102 121.627 -12.528 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.310 -13.770 -7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.613 -14.934 -5.987 1.00 0.00 H new ATOM 1657 N ALA A 103 119.017 -11.987 -7.104 1.00 0.00 N ATOM 1658 CA ALA A 103 118.416 -11.029 -8.001 1.00 0.00 C ATOM 1659 C ALA A 103 118.085 -9.781 -7.228 1.00 0.00 C ATOM 1660 O ALA A 103 118.155 -8.657 -7.742 1.00 0.00 O ATOM 1661 CB ALA A 103 117.166 -11.613 -8.642 1.00 0.00 C ATOM 0 H ALA A 103 118.406 -12.757 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 103 119.116 -10.785 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 103 116.725 -10.878 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.430 -12.508 -9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.446 -11.872 -7.866 1.00 0.00 H new ATOM 1667 N ALA A 104 117.784 -9.987 -5.971 1.00 0.00 N ATOM 1668 CA ALA A 104 117.419 -8.929 -5.075 1.00 0.00 C ATOM 1669 C ALA A 104 118.629 -8.106 -4.691 1.00 0.00 C ATOM 1670 O ALA A 104 118.537 -6.895 -4.529 1.00 0.00 O ATOM 1671 CB ALA A 104 116.708 -9.501 -3.868 1.00 0.00 C ATOM 0 H ALA A 104 117.787 -10.911 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 104 116.728 -8.253 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.433 -8.692 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.809 -10.026 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.369 -10.197 -3.352 1.00 0.00 H new ATOM 1677 N GLN A 105 119.759 -8.769 -4.582 1.00 0.00 N ATOM 1678 CA GLN A 105 121.026 -8.134 -4.303 1.00 0.00 C ATOM 1679 C GLN A 105 121.362 -7.141 -5.402 1.00 0.00 C ATOM 1680 O GLN A 105 121.698 -5.986 -5.125 1.00 0.00 O ATOM 1681 CB GLN A 105 122.114 -9.201 -4.155 1.00 0.00 C ATOM 1682 CG GLN A 105 123.517 -8.670 -3.933 1.00 0.00 C ATOM 1683 CD GLN A 105 124.468 -9.763 -3.523 1.00 0.00 C ATOM 1684 OE1 GLN A 105 125.088 -10.413 -4.349 1.00 0.00 O ATOM 1685 NE2 GLN A 105 124.588 -9.972 -2.237 1.00 0.00 N ATOM 0 H GLN A 105 119.823 -9.782 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 105 120.963 -7.582 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.852 -9.850 -3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.116 -9.821 -5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.877 -8.199 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 105 123.496 -7.898 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 105 124.053 -9.408 -1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.217 -10.699 -1.895 1.00 0.00 H new ATOM 1694 N SER A 106 121.225 -7.578 -6.642 1.00 0.00 N ATOM 1695 CA SER A 106 121.455 -6.721 -7.781 1.00 0.00 C ATOM 1696 C SER A 106 120.441 -5.556 -7.789 1.00 0.00 C ATOM 1697 O SER A 106 120.809 -4.409 -8.046 1.00 0.00 O ATOM 1698 CB SER A 106 121.357 -7.547 -9.049 1.00 0.00 C ATOM 1699 OG SER A 106 122.173 -8.712 -8.940 1.00 0.00 O ATOM 0 H SER A 106 120.953 -8.531 -6.882 1.00 0.00 H new ATOM 0 HA SER A 106 122.453 -6.286 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.321 -7.835 -9.225 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.673 -6.951 -9.906 1.00 0.00 H new ATOM 0 HG SER A 106 122.102 -9.240 -9.763 1.00 0.00 H new ATOM 1705 N ARG A 107 119.174 -5.863 -7.451 1.00 0.00 N ATOM 1706 CA ARG A 107 118.120 -4.852 -7.360 1.00 0.00 C ATOM 1707 C ARG A 107 118.464 -3.771 -6.364 1.00 0.00 C ATOM 1708 O ARG A 107 118.449 -2.605 -6.693 1.00 0.00 O ATOM 1709 CB ARG A 107 116.774 -5.471 -6.990 1.00 0.00 C ATOM 1710 CG ARG A 107 116.092 -6.255 -8.099 1.00 0.00 C ATOM 1711 CD ARG A 107 115.798 -5.377 -9.303 1.00 0.00 C ATOM 1712 NE ARG A 107 115.064 -4.159 -8.928 1.00 0.00 N ATOM 1713 CZ ARG A 107 114.357 -3.390 -9.759 1.00 0.00 C ATOM 1714 NH1 ARG A 107 114.118 -3.773 -10.996 1.00 0.00 N ATOM 1715 NH2 ARG A 107 113.852 -2.259 -9.312 1.00 0.00 N ATOM 0 H ARG A 107 118.861 -6.810 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 107 118.041 -4.404 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.920 -6.133 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.104 -4.675 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 107 116.728 -7.087 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.162 -6.683 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 107 116.734 -5.102 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 107 115.216 -5.942 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 107 115.098 -3.878 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 107 114.475 -4.668 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 107 113.576 -3.175 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.003 -1.981 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 107 113.310 -1.661 -9.935 1.00 0.00 H new ATOM 1729 N VAL A 108 118.808 -4.168 -5.169 1.00 0.00 N ATOM 1730 CA VAL A 108 119.112 -3.228 -4.105 1.00 0.00 C ATOM 1731 C VAL A 108 120.386 -2.442 -4.380 1.00 0.00 C ATOM 1732 O VAL A 108 120.461 -1.250 -4.079 1.00 0.00 O ATOM 1733 CB VAL A 108 119.143 -3.930 -2.740 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.590 -2.992 -1.634 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.756 -4.449 -2.445 1.00 0.00 C ATOM 0 H VAL A 108 118.888 -5.148 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 108 118.305 -2.496 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 108 119.863 -4.748 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.598 -3.527 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.593 -2.624 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.900 -2.150 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.754 -4.953 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.053 -3.616 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.458 -5.153 -3.222 1.00 0.00 H new ATOM 1745 N TYR A 109 121.357 -3.098 -4.977 1.00 0.00 N ATOM 1746 CA TYR A 109 122.593 -2.458 -5.385 1.00 0.00 C ATOM 1747 C TYR A 109 122.310 -1.241 -6.292 1.00 0.00 C ATOM 1748 O TYR A 109 122.730 -0.135 -5.986 1.00 0.00 O ATOM 1749 CB TYR A 109 123.511 -3.506 -6.053 1.00 0.00 C ATOM 1750 CG TYR A 109 124.614 -2.973 -6.939 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.382 -2.776 -8.291 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.877 -2.677 -6.441 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.351 -2.306 -9.123 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.872 -2.197 -7.277 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.599 -2.015 -8.622 1.00 0.00 C ATOM 1756 OH TYR A 109 127.578 -1.537 -9.475 1.00 0.00 O ATOM 0 H TYR A 109 121.313 -4.094 -5.195 1.00 0.00 H new ATOM 0 HA TYR A 109 123.115 -2.066 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.966 -4.110 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.889 -4.174 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.406 -3.001 -8.695 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.085 -2.823 -5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.141 -2.162 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.851 -1.967 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 109 128.312 -1.156 -8.949 1.00 0.00 H new ATOM 1766 N GLN A 110 121.537 -1.438 -7.347 1.00 0.00 N ATOM 1767 CA GLN A 110 121.228 -0.342 -8.272 1.00 0.00 C ATOM 1768 C GLN A 110 120.239 0.637 -7.647 1.00 0.00 C ATOM 1769 O GLN A 110 120.308 1.844 -7.887 1.00 0.00 O ATOM 1770 CB GLN A 110 120.705 -0.866 -9.607 1.00 0.00 C ATOM 1771 CG GLN A 110 119.607 -1.894 -9.465 1.00 0.00 C ATOM 1772 CD GLN A 110 118.904 -2.206 -10.761 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.779 -1.354 -11.638 1.00 0.00 O ATOM 1774 NE2 GLN A 110 118.458 -3.425 -10.908 1.00 0.00 N ATOM 0 H GLN A 110 121.112 -2.333 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 110 122.157 0.192 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.333 -0.028 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.532 -1.305 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 110 120.031 -2.813 -9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.875 -1.535 -8.741 1.00 0.00 H new ATOM 0 HE21 GLN A 110 118.579 -4.106 -10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 110 117.988 -3.696 -11.772 1.00 0.00 H new ATOM 1783 N LEU A 111 119.344 0.095 -6.835 1.00 0.00 N ATOM 1784 CA LEU A 111 118.343 0.842 -6.089 1.00 0.00 C ATOM 1785 C LEU A 111 118.995 1.957 -5.289 1.00 0.00 C ATOM 1786 O LEU A 111 118.726 3.131 -5.513 1.00 0.00 O ATOM 1787 CB LEU A 111 117.631 -0.121 -5.139 1.00 0.00 C ATOM 1788 CG LEU A 111 116.641 0.466 -4.160 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.421 1.005 -4.875 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.269 -0.565 -3.113 1.00 0.00 C ATOM 0 H LEU A 111 119.293 -0.911 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 111 117.631 1.289 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.107 -0.862 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.392 -0.654 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 111 117.110 1.309 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 111 114.726 1.421 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 111 115.724 1.785 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 111 114.933 0.198 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.555 -0.131 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 111 115.820 -1.431 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.164 -0.875 -2.573 1.00 0.00 H new ATOM 1802 N MET A 112 119.896 1.584 -4.396 1.00 0.00 N ATOM 1803 CA MET A 112 120.550 2.564 -3.556 1.00 0.00 C ATOM 1804 C MET A 112 121.623 3.322 -4.300 1.00 0.00 C ATOM 1805 O MET A 112 122.020 4.379 -3.865 1.00 0.00 O ATOM 1806 CB MET A 112 121.089 1.967 -2.254 1.00 0.00 C ATOM 1807 CG MET A 112 122.020 0.802 -2.440 1.00 0.00 C ATOM 1808 SD MET A 112 122.622 0.147 -0.888 1.00 0.00 S ATOM 1809 CE MET A 112 123.321 -1.378 -1.460 1.00 0.00 C ATOM 0 H MET A 112 120.187 0.619 -4.237 1.00 0.00 H new ATOM 0 HA MET A 112 119.777 3.279 -3.274 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.611 2.748 -1.700 1.00 0.00 H new ATOM 0 HB3 MET A 112 120.247 1.648 -1.640 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.504 0.013 -2.987 1.00 0.00 H new ATOM 0 HG3 MET A 112 122.867 1.113 -3.052 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.862 -2.211 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 112 123.136 -1.485 -2.529 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.395 -1.377 -1.276 1.00 0.00 H new ATOM 1819 N GLU A 113 122.090 2.792 -5.418 1.00 0.00 N ATOM 1820 CA GLU A 113 123.055 3.505 -6.239 1.00 0.00 C ATOM 1821 C GLU A 113 122.430 4.807 -6.737 1.00 0.00 C ATOM 1822 O GLU A 113 122.830 5.904 -6.335 1.00 0.00 O ATOM 1823 CB GLU A 113 123.506 2.651 -7.435 1.00 0.00 C ATOM 1824 CG GLU A 113 124.516 3.346 -8.342 1.00 0.00 C ATOM 1825 CD GLU A 113 124.949 2.501 -9.511 1.00 0.00 C ATOM 1826 OE1 GLU A 113 124.154 2.317 -10.458 1.00 0.00 O ATOM 1827 OE2 GLU A 113 126.105 2.042 -9.536 1.00 0.00 O ATOM 0 H GLU A 113 121.819 1.876 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 113 123.933 3.723 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.943 1.724 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.631 2.377 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.081 4.273 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.393 3.619 -7.755 1.00 0.00 H new ATOM 1834 N GLN A 114 121.365 4.668 -7.491 1.00 0.00 N ATOM 1835 CA GLN A 114 120.711 5.794 -8.144 1.00 0.00 C ATOM 1836 C GLN A 114 119.898 6.657 -7.162 1.00 0.00 C ATOM 1837 O GLN A 114 119.237 7.613 -7.571 1.00 0.00 O ATOM 1838 CB GLN A 114 119.806 5.279 -9.275 1.00 0.00 C ATOM 1839 CG GLN A 114 118.660 4.398 -8.792 1.00 0.00 C ATOM 1840 CD GLN A 114 117.837 3.800 -9.919 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.722 4.374 -11.008 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.231 2.671 -9.656 1.00 0.00 N ATOM 0 H GLN A 114 120.920 3.769 -7.674 1.00 0.00 H new ATOM 0 HA GLN A 114 121.492 6.434 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.394 6.132 -9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.412 4.715 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.065 3.591 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.006 4.987 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.351 2.228 -8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.639 2.234 -10.362 1.00 0.00 H new ATOM 1851 N ASP A 115 119.953 6.336 -5.891 1.00 0.00 N ATOM 1852 CA ASP A 115 119.171 7.058 -4.904 1.00 0.00 C ATOM 1853 C ASP A 115 120.051 7.561 -3.755 1.00 0.00 C ATOM 1854 O ASP A 115 120.147 8.756 -3.510 1.00 0.00 O ATOM 1855 CB ASP A 115 118.036 6.162 -4.374 1.00 0.00 C ATOM 1856 CG ASP A 115 117.058 6.898 -3.489 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.229 7.663 -4.019 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.076 6.708 -2.255 1.00 0.00 O ATOM 0 H ASP A 115 120.528 5.583 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 115 118.733 7.932 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.498 5.731 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.468 5.332 -3.815 1.00 0.00 H new ATOM 1863 N SER A 116 120.714 6.652 -3.086 1.00 0.00 N ATOM 1864 CA SER A 116 121.523 6.983 -1.932 1.00 0.00 C ATOM 1865 C SER A 116 122.997 7.259 -2.294 1.00 0.00 C ATOM 1866 O SER A 116 123.646 8.061 -1.644 1.00 0.00 O ATOM 1867 CB SER A 116 121.443 5.834 -0.926 1.00 0.00 C ATOM 1868 OG SER A 116 120.090 5.525 -0.630 1.00 0.00 O ATOM 0 H SER A 116 120.711 5.660 -3.323 1.00 0.00 H new ATOM 0 HA SER A 116 121.127 7.903 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 116 121.943 4.954 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 116 121.968 6.107 -0.011 1.00 0.00 H new ATOM 0 HG SER A 116 120.056 4.787 0.014 1.00 0.00 H new ATOM 1874 N TYR A 117 123.505 6.631 -3.347 1.00 0.00 N ATOM 1875 CA TYR A 117 124.919 6.737 -3.701 1.00 0.00 C ATOM 1876 C TYR A 117 125.250 8.110 -4.233 1.00 0.00 C ATOM 1877 O TYR A 117 126.315 8.649 -3.967 1.00 0.00 O ATOM 1878 CB TYR A 117 125.263 5.629 -4.676 1.00 0.00 C ATOM 1879 CG TYR A 117 126.604 5.687 -5.350 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.791 5.684 -4.635 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.668 5.712 -6.727 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.004 5.706 -5.292 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.860 5.726 -7.381 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.024 5.722 -6.669 1.00 0.00 C ATOM 1885 OH TYR A 117 130.215 5.729 -7.339 1.00 0.00 O ATOM 0 H TYR A 117 122.959 6.041 -3.974 1.00 0.00 H new ATOM 0 HA TYR A 117 125.535 6.612 -2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.195 4.680 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.497 5.615 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.766 5.664 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.752 5.721 -7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 117 129.928 5.711 -4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.885 5.740 -8.461 1.00 0.00 H new ATOM 0 HH TYR A 117 130.909 5.328 -6.776 1.00 0.00 H new ATOM 1895 N THR A 118 124.322 8.674 -4.928 1.00 0.00 N ATOM 1896 CA THR A 118 124.439 10.007 -5.444 1.00 0.00 C ATOM 1897 C THR A 118 124.520 11.015 -4.272 1.00 0.00 C ATOM 1898 O THR A 118 125.423 11.887 -4.215 1.00 0.00 O ATOM 1899 CB THR A 118 123.218 10.260 -6.317 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.078 9.711 -5.627 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.376 9.552 -7.655 1.00 0.00 C ATOM 0 H THR A 118 123.440 8.217 -5.162 1.00 0.00 H new ATOM 0 HA THR A 118 125.346 10.129 -6.037 1.00 0.00 H new ATOM 0 HB THR A 118 123.097 11.328 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.270 9.858 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.497 9.739 -8.272 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.263 9.929 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.481 8.480 -7.489 1.00 0.00 H new ATOM 1909 N ARG A 119 123.616 10.839 -3.309 1.00 0.00 N ATOM 1910 CA ARG A 119 123.597 11.643 -2.090 1.00 0.00 C ATOM 1911 C ARG A 119 124.887 11.415 -1.308 1.00 0.00 C ATOM 1912 O ARG A 119 125.455 12.343 -0.745 1.00 0.00 O ATOM 1913 CB ARG A 119 122.396 11.287 -1.212 1.00 0.00 C ATOM 1914 CG ARG A 119 121.046 11.560 -1.837 1.00 0.00 C ATOM 1915 CD ARG A 119 119.924 11.094 -0.924 1.00 0.00 C ATOM 1916 NE ARG A 119 118.611 11.318 -1.523 1.00 0.00 N ATOM 1917 CZ ARG A 119 117.730 10.346 -1.801 1.00 0.00 C ATOM 1918 NH1 ARG A 119 117.956 9.105 -1.386 1.00 0.00 N ATOM 1919 NH2 ARG A 119 116.609 10.635 -2.442 1.00 0.00 N ATOM 0 H ARG A 119 122.878 10.136 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 119 123.514 12.692 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.454 10.229 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.468 11.846 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 119 120.941 12.627 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 119 120.975 11.050 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.049 10.033 -0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.985 11.623 0.027 1.00 0.00 H new ATOM 0 HE ARG A 119 118.346 12.278 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 119 118.800 8.891 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 119 117.285 8.366 -1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 119 116.416 11.596 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 119 115.938 9.897 -2.654 1.00 0.00 H new ATOM 1933 N PHE A 120 125.340 10.170 -1.283 1.00 0.00 N ATOM 1934 CA PHE A 120 126.587 9.799 -0.644 1.00 0.00 C ATOM 1935 C PHE A 120 127.742 10.551 -1.261 1.00 0.00 C ATOM 1936 O PHE A 120 128.535 11.125 -0.557 1.00 0.00 O ATOM 1937 CB PHE A 120 126.822 8.278 -0.713 1.00 0.00 C ATOM 1938 CG PHE A 120 128.215 7.839 -0.316 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.605 7.773 1.017 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.133 7.490 -1.292 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.887 7.369 1.355 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.402 7.089 -0.955 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.780 7.029 0.367 1.00 0.00 C ATOM 0 H PHE A 120 124.847 9.386 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 120 126.520 10.074 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.100 7.782 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.624 7.938 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.904 8.038 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.847 7.534 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.184 7.321 2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.105 6.820 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.780 6.714 0.628 1.00 0.00 H new ATOM 1953 N LEU A 121 127.795 10.591 -2.571 1.00 0.00 N ATOM 1954 CA LEU A 121 128.866 11.286 -3.269 1.00 0.00 C ATOM 1955 C LEU A 121 128.891 12.769 -2.936 1.00 0.00 C ATOM 1956 O LEU A 121 129.939 13.403 -2.962 1.00 0.00 O ATOM 1957 CB LEU A 121 128.781 11.071 -4.780 1.00 0.00 C ATOM 1958 CG LEU A 121 128.959 9.633 -5.248 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.896 9.548 -6.765 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.269 9.074 -4.727 1.00 0.00 C ATOM 0 H LEU A 121 127.109 10.150 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 121 129.803 10.854 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.812 11.430 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.540 11.688 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 121 128.143 9.032 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.026 8.512 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 121 127.928 9.913 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.689 10.159 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.387 8.045 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.096 9.677 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.267 9.098 -3.637 1.00 0.00 H new ATOM 1972 N LYS A 122 127.747 13.314 -2.605 1.00 0.00 N ATOM 1973 CA LYS A 122 127.672 14.714 -2.263 1.00 0.00 C ATOM 1974 C LYS A 122 127.613 14.927 -0.728 1.00 0.00 C ATOM 1975 O LYS A 122 127.575 16.065 -0.254 1.00 0.00 O ATOM 1976 CB LYS A 122 126.469 15.348 -2.985 1.00 0.00 C ATOM 1977 CG LYS A 122 126.367 16.879 -2.917 1.00 0.00 C ATOM 1978 CD LYS A 122 127.624 17.577 -3.445 1.00 0.00 C ATOM 1979 CE LYS A 122 127.977 17.170 -4.876 1.00 0.00 C ATOM 1980 NZ LYS A 122 126.896 17.455 -5.850 1.00 0.00 N ATOM 0 H LYS A 122 126.859 12.814 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 122 128.581 15.213 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.505 15.053 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.556 14.925 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 122 125.503 17.208 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.194 17.182 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 122 127.477 18.656 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 122 128.464 17.346 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.881 17.695 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.205 16.104 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 127.203 17.172 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 126.043 16.920 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 126.682 18.473 -5.843 1.00 0.00 H new ATOM 1994 N SER A 123 127.645 13.845 0.049 1.00 0.00 N ATOM 1995 CA SER A 123 127.580 13.981 1.482 1.00 0.00 C ATOM 1996 C SER A 123 128.897 14.499 1.998 1.00 0.00 C ATOM 1997 O SER A 123 129.955 14.234 1.395 1.00 0.00 O ATOM 1998 CB SER A 123 127.266 12.636 2.149 1.00 0.00 C ATOM 1999 OG SER A 123 128.321 11.694 1.958 1.00 0.00 O ATOM 0 H SER A 123 127.714 12.886 -0.292 1.00 0.00 H new ATOM 0 HA SER A 123 126.781 14.682 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.102 12.788 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.340 12.234 1.739 1.00 0.00 H new ATOM 0 HG SER A 123 128.560 11.659 1.008 1.00 0.00 H new ATOM 2005 N ASP A 124 128.856 15.208 3.110 1.00 0.00 N ATOM 2006 CA ASP A 124 130.064 15.724 3.739 1.00 0.00 C ATOM 2007 C ASP A 124 130.966 14.567 4.151 1.00 0.00 C ATOM 2008 O ASP A 124 132.171 14.721 4.262 1.00 0.00 O ATOM 2009 CB ASP A 124 129.734 16.643 4.924 1.00 0.00 C ATOM 2010 CG ASP A 124 129.048 17.926 4.490 1.00 0.00 C ATOM 2011 OD1 ASP A 124 127.795 17.944 4.362 1.00 0.00 O ATOM 2012 OD2 ASP A 124 129.748 18.940 4.239 1.00 0.00 O ATOM 0 H ASP A 124 127.994 15.443 3.602 1.00 0.00 H new ATOM 0 HA ASP A 124 130.601 16.336 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.092 16.110 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 124 130.653 16.888 5.457 1.00 0.00 H new ATOM 2017 N ILE A 125 130.348 13.412 4.354 1.00 0.00 N ATOM 2018 CA ILE A 125 131.024 12.140 4.575 1.00 0.00 C ATOM 2019 C ILE A 125 131.994 11.800 3.404 1.00 0.00 C ATOM 2020 O ILE A 125 133.220 11.640 3.601 1.00 0.00 O ATOM 2021 CB ILE A 125 129.950 11.007 4.768 1.00 0.00 C ATOM 2022 CG1 ILE A 125 129.443 10.963 6.222 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.389 9.640 4.248 1.00 0.00 C ATOM 2024 CD1 ILE A 125 128.351 9.940 6.481 1.00 0.00 C ATOM 0 H ILE A 125 129.331 13.331 4.370 1.00 0.00 H new ATOM 0 HA ILE A 125 131.630 12.216 5.478 1.00 0.00 H new ATOM 0 HB ILE A 125 129.105 11.275 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 125 130.285 10.750 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 125 129.069 11.950 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.594 8.914 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.597 9.707 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 125 131.289 9.322 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 125 128.056 9.980 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 125 127.488 10.162 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 125 128.724 8.943 6.247 1.00 0.00 H new ATOM 2036 N TYR A 126 131.470 11.722 2.198 1.00 0.00 N ATOM 2037 CA TYR A 126 132.295 11.366 1.063 1.00 0.00 C ATOM 2038 C TYR A 126 133.184 12.523 0.647 1.00 0.00 C ATOM 2039 O TYR A 126 134.307 12.313 0.191 1.00 0.00 O ATOM 2040 CB TYR A 126 131.463 10.839 -0.102 1.00 0.00 C ATOM 2041 CG TYR A 126 132.281 10.433 -1.302 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.075 9.299 -1.273 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.284 11.201 -2.445 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.839 8.935 -2.350 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.040 10.860 -3.525 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.812 9.731 -3.487 1.00 0.00 C ATOM 2047 OH TYR A 126 134.578 9.414 -4.572 1.00 0.00 O ATOM 0 H TYR A 126 130.489 11.898 1.980 1.00 0.00 H new ATOM 0 HA TYR A 126 132.947 10.550 1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.883 9.981 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.750 11.607 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.092 8.689 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.675 12.092 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.451 8.046 -2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.030 11.479 -4.410 1.00 0.00 H new ATOM 0 HH TYR A 126 134.911 8.497 -4.481 1.00 0.00 H new ATOM 2057 N LEU A 127 132.704 13.742 0.847 1.00 0.00 N ATOM 2058 CA LEU A 127 133.504 14.924 0.549 1.00 0.00 C ATOM 2059 C LEU A 127 134.728 14.949 1.459 1.00 0.00 C ATOM 2060 O LEU A 127 135.801 15.380 1.058 1.00 0.00 O ATOM 2061 CB LEU A 127 132.690 16.222 0.694 1.00 0.00 C ATOM 2062 CG LEU A 127 131.421 16.333 -0.162 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.774 17.689 0.007 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.706 16.053 -1.627 1.00 0.00 C ATOM 0 H LEU A 127 131.772 13.939 1.211 1.00 0.00 H new ATOM 0 HA LEU A 127 133.824 14.867 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.406 16.332 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.341 17.062 0.450 1.00 0.00 H new ATOM 0 HG LEU A 127 130.724 15.572 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.877 17.743 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 127 130.505 17.836 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.473 18.467 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 127 130.783 16.141 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.435 16.772 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.104 15.044 -1.734 1.00 0.00 H new ATOM 2076 N ASP A 128 134.551 14.437 2.667 1.00 0.00 N ATOM 2077 CA ASP A 128 135.627 14.290 3.650 1.00 0.00 C ATOM 2078 C ASP A 128 136.679 13.298 3.165 1.00 0.00 C ATOM 2079 O ASP A 128 137.874 13.505 3.369 1.00 0.00 O ATOM 2080 CB ASP A 128 135.047 13.843 4.998 1.00 0.00 C ATOM 2081 CG ASP A 128 136.089 13.477 6.020 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.677 14.384 6.649 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.316 12.261 6.237 1.00 0.00 O ATOM 0 H ASP A 128 133.646 14.106 3.002 1.00 0.00 H new ATOM 0 HA ASP A 128 136.113 15.257 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.425 14.644 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.395 12.985 4.835 1.00 0.00 H new ATOM 2088 N LEU A 129 136.231 12.220 2.504 1.00 0.00 N ATOM 2089 CA LEU A 129 137.176 11.228 1.925 1.00 0.00 C ATOM 2090 C LEU A 129 137.919 11.848 0.740 1.00 0.00 C ATOM 2091 O LEU A 129 139.005 11.397 0.356 1.00 0.00 O ATOM 2092 CB LEU A 129 136.448 9.968 1.431 1.00 0.00 C ATOM 2093 CG LEU A 129 135.472 9.323 2.411 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.565 8.380 1.678 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.225 8.566 3.493 1.00 0.00 C ATOM 0 H LEU A 129 135.245 12.007 2.354 1.00 0.00 H new ATOM 0 HA LEU A 129 137.873 10.946 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.902 10.222 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.197 9.226 1.156 1.00 0.00 H new ATOM 0 HG LEU A 129 134.880 10.109 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.870 7.922 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.005 8.929 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.160 7.603 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.513 8.113 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.833 7.786 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.869 9.256 4.038 1.00 0.00 H new ATOM 2107 N MET A 130 137.305 12.862 0.152 1.00 0.00 N ATOM 2108 CA MET A 130 137.882 13.566 -0.979 1.00 0.00 C ATOM 2109 C MET A 130 138.934 14.555 -0.499 1.00 0.00 C ATOM 2110 O MET A 130 140.119 14.280 -0.557 1.00 0.00 O ATOM 2111 CB MET A 130 136.796 14.317 -1.791 1.00 0.00 C ATOM 2112 CG MET A 130 135.680 13.480 -2.449 1.00 0.00 C ATOM 2113 SD MET A 130 136.243 12.399 -3.776 1.00 0.00 S ATOM 2114 CE MET A 130 137.128 11.134 -2.874 1.00 0.00 C ATOM 0 H MET A 130 136.395 13.219 0.445 1.00 0.00 H new ATOM 0 HA MET A 130 138.346 12.825 -1.630 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.324 15.042 -1.128 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.297 14.883 -2.576 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.198 12.873 -1.682 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.921 14.155 -2.844 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.200 11.273 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.885 11.206 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.839 10.151 -3.247 1.00 0.00 H new ATOM 2124 N GLU A 131 138.460 15.662 0.029 1.00 0.00 N ATOM 2125 CA GLU A 131 139.250 16.791 0.533 1.00 0.00 C ATOM 2126 C GLU A 131 138.301 17.670 1.295 1.00 0.00 C ATOM 2127 O GLU A 131 138.573 18.107 2.416 1.00 0.00 O ATOM 2128 CB GLU A 131 139.860 17.641 -0.616 1.00 0.00 C ATOM 2129 CG GLU A 131 141.141 17.117 -1.246 1.00 0.00 C ATOM 2130 CD GLU A 131 142.327 17.178 -0.307 1.00 0.00 C ATOM 2131 OE1 GLU A 131 142.900 18.277 -0.122 1.00 0.00 O ATOM 2132 OE2 GLU A 131 142.727 16.141 0.239 1.00 0.00 O ATOM 0 H GLU A 131 137.457 15.819 0.129 1.00 0.00 H new ATOM 0 HA GLU A 131 140.071 16.408 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 131 139.110 17.740 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 131 140.054 18.643 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 131 140.988 16.086 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 131 141.363 17.697 -2.142 1.00 0.00 H new ATOM 2139 N GLY A 132 137.194 17.938 0.649 1.00 0.00 N ATOM 2140 CA GLY A 132 136.150 18.756 1.185 1.00 0.00 C ATOM 2141 C GLY A 132 135.610 19.581 0.070 1.00 0.00 C ATOM 2142 O GLY A 132 134.414 19.555 -0.240 1.00 0.00 O ATOM 0 H GLY A 132 136.995 17.582 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 132 135.364 18.138 1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 132 136.533 19.393 1.982 1.00 0.00 H new ATOM 2146 N ARG A 133 136.511 20.273 -0.565 1.00 0.00 N ATOM 2147 CA ARG A 133 136.257 21.047 -1.746 1.00 0.00 C ATOM 2148 C ARG A 133 137.567 21.215 -2.488 1.00 0.00 C ATOM 2149 O ARG A 133 138.608 21.450 -1.855 1.00 0.00 O ATOM 2150 CB ARG A 133 135.607 22.406 -1.428 1.00 0.00 C ATOM 2151 CG ARG A 133 136.321 23.242 -0.375 1.00 0.00 C ATOM 2152 CD ARG A 133 135.585 24.547 -0.144 1.00 0.00 C ATOM 2153 NE ARG A 133 134.160 24.320 0.148 1.00 0.00 N ATOM 2154 CZ ARG A 133 133.193 25.225 -0.007 1.00 0.00 C ATOM 2155 NH1 ARG A 133 133.505 26.507 -0.185 1.00 0.00 N ATOM 2156 NH2 ARG A 133 131.913 24.852 0.085 1.00 0.00 N ATOM 0 H ARG A 133 137.484 20.315 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 133 135.538 20.520 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 133 135.548 22.986 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 133 134.584 22.231 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 133 136.385 22.684 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 133 137.343 23.446 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 133 136.046 25.084 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 133 135.680 25.180 -1.026 1.00 0.00 H new ATOM 0 HE ARG A 133 133.892 23.399 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 133 134.483 26.796 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 133 132.766 27.200 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 133 131.678 23.877 0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 133 131.171 25.542 -0.033 1.00 0.00 H new ATOM 2170 N PRO A 134 137.564 21.028 -3.805 1.00 0.00 N ATOM 2171 CA PRO A 134 138.765 21.155 -4.621 1.00 0.00 C ATOM 2172 C PRO A 134 139.209 22.599 -4.721 1.00 0.00 C ATOM 2173 O PRO A 134 138.368 23.515 -4.749 1.00 0.00 O ATOM 2174 CB PRO A 134 138.336 20.644 -6.003 1.00 0.00 C ATOM 2175 CG PRO A 134 137.025 19.982 -5.785 1.00 0.00 C ATOM 2176 CD PRO A 134 136.401 20.669 -4.619 1.00 0.00 C ATOM 0 HA PRO A 134 139.605 20.602 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 134 138.249 21.464 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 134 139.067 19.945 -6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 134 136.394 20.067 -6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 134 137.154 18.918 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 134 135.831 21.547 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 134 135.715 20.014 -4.081 1.00 0.00 H new TER 2184 PRO A 134