USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1034 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 9:sc= -1.74! USER MOD Set 1.2: A 130 MET CE :methyl -108:sc= -0.756 (180deg=-4.87!) USER MOD Set 2.1: A 40 ASN : amide:sc= 0.367 X(o=0.76,f=0.55) USER MOD Set 2.2: A 80 ASN : amide:sc= 0.393 X(o=0.76,f=0.55) USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.227 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 155:sc= 1.33 (180deg=0.679) USER MOD Set 4.1: A 57 GLN : amide:sc= -1.44 K(o=-2.3,f=-5.9!) USER MOD Set 4.2: A 60 HIS : no HD1:sc= -0.902 K(o=-2.3,f=-1.5) USER MOD Set 5.1: A 47 CYS SG : rot -133:sc= -1.62! USER MOD Set 5.2: A 99 HIS : no HD1:sc= -1.1! C(o=-4.3!,f=-8.2!) USER MOD Set 5.3: A 105 GLN : amide:sc= -1.59! C(o=-4.3!,f=-5.8!) USER MOD Single : A 4 SER OG : rot -172:sc= 0.231 USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= 0.975 (180deg=0.26) USER MOD Single : A 14 SER OG : rot -7:sc= 1.04 USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= -0.718 (180deg=-2.77!) USER MOD Single : A 20 SER OG : rot 88:sc= 1.12 USER MOD Single : A 21 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 152:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 0.111 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 53 SER OG : rot 74:sc= 1.18 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 1.1 (180deg=0.862) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.954 K(o=-0.95,f=-5.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 85 THR OG1 : rot 67:sc= 0.998 USER MOD Single : A 90 THR OG1 : rot -8:sc= 1.16 USER MOD Single : A 91 ASN : amide:sc= 0.715 K(o=0.71,f=-0.0013) USER MOD Single : A 92 SER OG : rot -37:sc= 0.657 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 27:sc= 0.749 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00869 USER MOD Single : A 109 TYR OH : rot 70:sc= 1.22 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl -137:sc= -1.24 (180deg=-3.78) USER MOD Single : A 114 GLN : amide:sc= 0.205 X(o=0.21,f=-0.014) USER MOD Single : A 116 SER OG : rot -112:sc= 0.363 USER MOD Single : A 117 TYR OH : rot 8:sc= -0.015 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00491 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -74:sc= -0.0689 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.313 6.552 3.934 1.00 0.00 N ATOM 32 CA VAL A 3 141.240 6.426 2.500 1.00 0.00 C ATOM 33 C VAL A 3 141.712 7.726 1.846 1.00 0.00 C ATOM 34 O VAL A 3 141.249 8.811 2.208 1.00 0.00 O ATOM 35 CB VAL A 3 139.792 6.027 2.014 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.731 6.915 2.652 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.677 6.128 0.498 1.00 0.00 C ATOM 0 HA VAL A 3 141.901 5.616 2.193 1.00 0.00 H new ATOM 0 HB VAL A 3 139.626 4.995 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.745 6.615 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.774 6.811 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.914 7.954 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.670 5.848 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.880 7.152 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.399 5.456 0.033 1.00 0.00 H new ATOM 47 N SER A 4 142.664 7.615 0.940 1.00 0.00 N ATOM 48 CA SER A 4 143.171 8.750 0.206 1.00 0.00 C ATOM 49 C SER A 4 142.054 9.306 -0.675 1.00 0.00 C ATOM 50 O SER A 4 141.237 8.533 -1.174 1.00 0.00 O ATOM 51 CB SER A 4 144.364 8.295 -0.670 1.00 0.00 C ATOM 52 OG SER A 4 144.870 9.349 -1.492 1.00 0.00 O ATOM 0 H SER A 4 143.107 6.730 0.694 1.00 0.00 H new ATOM 0 HA SER A 4 143.509 9.526 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 4 145.162 7.924 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.051 7.464 -1.302 1.00 0.00 H new ATOM 0 HG SER A 4 145.534 8.987 -2.116 1.00 0.00 H new ATOM 58 N PRO A 5 141.985 10.646 -0.871 1.00 0.00 N ATOM 59 CA PRO A 5 141.000 11.275 -1.769 1.00 0.00 C ATOM 60 C PRO A 5 141.024 10.636 -3.165 1.00 0.00 C ATOM 61 O PRO A 5 140.016 10.569 -3.839 1.00 0.00 O ATOM 62 CB PRO A 5 141.468 12.729 -1.843 1.00 0.00 C ATOM 63 CG PRO A 5 142.156 12.961 -0.546 1.00 0.00 C ATOM 64 CD PRO A 5 142.818 11.658 -0.188 1.00 0.00 C ATOM 0 HA PRO A 5 139.977 11.164 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.142 12.887 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 5 140.628 13.411 -1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 5 142.891 13.761 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 5 141.446 13.262 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 5 143.852 11.625 -0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 5 142.836 11.501 0.890 1.00 0.00 H new ATOM 72 N GLU A 6 142.187 10.136 -3.551 1.00 0.00 N ATOM 73 CA GLU A 6 142.377 9.436 -4.818 1.00 0.00 C ATOM 74 C GLU A 6 141.560 8.139 -4.822 1.00 0.00 C ATOM 75 O GLU A 6 140.792 7.867 -5.732 1.00 0.00 O ATOM 76 CB GLU A 6 143.845 9.091 -4.966 1.00 0.00 C ATOM 77 CG GLU A 6 144.765 10.287 -4.910 1.00 0.00 C ATOM 78 CD GLU A 6 146.194 9.874 -4.791 1.00 0.00 C ATOM 79 OE1 GLU A 6 146.822 9.551 -5.815 1.00 0.00 O ATOM 80 OE2 GLU A 6 146.718 9.841 -3.671 1.00 0.00 O ATOM 0 H GLU A 6 143.036 10.204 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 6 142.050 10.073 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.125 8.393 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 6 143.993 8.576 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.633 10.891 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.495 10.915 -4.061 1.00 0.00 H new ATOM 87 N GLU A 7 141.706 7.376 -3.771 1.00 0.00 N ATOM 88 CA GLU A 7 141.018 6.109 -3.634 1.00 0.00 C ATOM 89 C GLU A 7 139.529 6.375 -3.416 1.00 0.00 C ATOM 90 O GLU A 7 138.676 5.622 -3.846 1.00 0.00 O ATOM 91 CB GLU A 7 141.585 5.366 -2.434 1.00 0.00 C ATOM 92 CG GLU A 7 141.104 3.943 -2.284 1.00 0.00 C ATOM 93 CD GLU A 7 141.565 3.091 -3.421 1.00 0.00 C ATOM 94 OE1 GLU A 7 142.779 2.779 -3.470 1.00 0.00 O ATOM 95 OE2 GLU A 7 140.750 2.727 -4.275 1.00 0.00 O ATOM 0 H GLU A 7 142.306 7.612 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 7 141.154 5.507 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.672 5.361 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.330 5.918 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.472 3.530 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.015 3.928 -2.234 1.00 0.00 H new ATOM 102 N ALA A 8 139.243 7.466 -2.751 1.00 0.00 N ATOM 103 CA ALA A 8 137.893 7.855 -2.502 1.00 0.00 C ATOM 104 C ALA A 8 137.197 8.282 -3.801 1.00 0.00 C ATOM 105 O ALA A 8 136.063 7.893 -4.034 1.00 0.00 O ATOM 106 CB ALA A 8 137.824 8.908 -1.400 1.00 0.00 C ATOM 0 H ALA A 8 139.943 8.103 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 8 137.339 6.993 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 8 136.785 9.188 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.246 8.501 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.392 9.788 -1.702 1.00 0.00 H new ATOM 112 N VAL A 9 137.888 9.052 -4.685 1.00 0.00 N ATOM 113 CA VAL A 9 137.289 9.410 -5.999 1.00 0.00 C ATOM 114 C VAL A 9 137.029 8.179 -6.834 1.00 0.00 C ATOM 115 O VAL A 9 136.169 8.194 -7.708 1.00 0.00 O ATOM 116 CB VAL A 9 138.059 10.461 -6.862 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.207 11.777 -6.155 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.394 9.947 -7.370 1.00 0.00 C ATOM 0 H VAL A 9 138.824 9.424 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 9 136.360 9.903 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 9 137.439 10.633 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 9 138.748 12.475 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.220 12.182 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 9 138.760 11.631 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 9 139.881 10.722 -7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.029 9.685 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.232 9.065 -7.989 1.00 0.00 H new ATOM 128 N LYS A 10 137.770 7.116 -6.564 1.00 0.00 N ATOM 129 CA LYS A 10 137.537 5.822 -7.202 1.00 0.00 C ATOM 130 C LYS A 10 136.145 5.309 -6.909 1.00 0.00 C ATOM 131 O LYS A 10 135.510 4.666 -7.743 1.00 0.00 O ATOM 132 CB LYS A 10 138.562 4.804 -6.752 1.00 0.00 C ATOM 133 CG LYS A 10 139.684 4.608 -7.714 1.00 0.00 C ATOM 134 CD LYS A 10 140.360 5.895 -8.082 1.00 0.00 C ATOM 135 CE LYS A 10 141.397 5.648 -9.125 1.00 0.00 C ATOM 136 NZ LYS A 10 140.817 4.985 -10.317 1.00 0.00 N ATOM 0 H LYS A 10 138.546 7.121 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 10 137.634 5.969 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.971 5.116 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.063 3.848 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.417 3.929 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 10 139.304 4.130 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.624 6.609 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 10 140.819 6.339 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 10 141.853 6.594 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.191 5.026 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 141.361 5.252 -11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 140.855 3.953 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 139.828 5.284 -10.433 1.00 0.00 H new ATOM 150 N TRP A 11 135.663 5.629 -5.749 1.00 0.00 N ATOM 151 CA TRP A 11 134.345 5.238 -5.332 1.00 0.00 C ATOM 152 C TRP A 11 133.326 6.075 -6.060 1.00 0.00 C ATOM 153 O TRP A 11 132.230 5.645 -6.302 1.00 0.00 O ATOM 154 CB TRP A 11 134.190 5.435 -3.839 1.00 0.00 C ATOM 155 CG TRP A 11 135.201 4.698 -3.020 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.007 3.670 -3.420 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.486 4.919 -1.652 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.789 3.257 -2.389 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.484 4.004 -1.281 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.990 5.814 -0.702 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.992 3.956 0.001 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.495 5.759 0.577 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.483 4.838 0.916 1.00 0.00 C ATOM 0 H TRP A 11 136.175 6.174 -5.055 1.00 0.00 H new ATOM 0 HA TRP A 11 134.193 4.184 -5.566 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.261 6.499 -3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.192 5.113 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.020 3.246 -4.413 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.487 2.515 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.228 6.533 -0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.762 3.249 0.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 135.120 6.439 1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.858 4.819 1.929 1.00 0.00 H new ATOM 174 N GLY A 12 133.752 7.259 -6.470 1.00 0.00 N ATOM 175 CA GLY A 12 132.890 8.179 -7.169 1.00 0.00 C ATOM 176 C GLY A 12 132.803 7.857 -8.637 1.00 0.00 C ATOM 177 O GLY A 12 132.047 8.494 -9.384 1.00 0.00 O ATOM 0 H GLY A 12 134.702 7.602 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 12 131.893 8.148 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.263 9.195 -7.041 1.00 0.00 H new ATOM 181 N GLU A 13 133.577 6.883 -9.057 1.00 0.00 N ATOM 182 CA GLU A 13 133.555 6.426 -10.419 1.00 0.00 C ATOM 183 C GLU A 13 133.153 4.952 -10.502 1.00 0.00 C ATOM 184 O GLU A 13 133.005 4.403 -11.593 1.00 0.00 O ATOM 185 CB GLU A 13 134.899 6.732 -11.135 1.00 0.00 C ATOM 186 CG GLU A 13 136.149 6.265 -10.393 1.00 0.00 C ATOM 187 CD GLU A 13 137.448 6.771 -11.004 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.498 7.942 -11.460 1.00 0.00 O ATOM 189 OE2 GLU A 13 138.460 6.047 -10.974 1.00 0.00 O ATOM 0 H GLU A 13 134.239 6.387 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 13 132.787 6.983 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.883 6.264 -12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.971 7.808 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.091 6.598 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.166 5.175 -10.377 1.00 0.00 H new ATOM 196 N SER A 14 132.936 4.319 -9.345 1.00 0.00 N ATOM 197 CA SER A 14 132.554 2.907 -9.277 1.00 0.00 C ATOM 198 C SER A 14 131.968 2.516 -7.900 1.00 0.00 C ATOM 199 O SER A 14 132.720 2.279 -6.934 1.00 0.00 O ATOM 200 CB SER A 14 133.754 1.992 -9.586 1.00 0.00 C ATOM 201 OG SER A 14 134.216 2.125 -10.919 1.00 0.00 O ATOM 0 H SER A 14 133.020 4.769 -8.434 1.00 0.00 H new ATOM 0 HA SER A 14 131.779 2.769 -10.031 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.568 2.224 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.470 0.955 -9.406 1.00 0.00 H new ATOM 0 HG SER A 14 133.605 2.704 -11.421 1.00 0.00 H new ATOM 207 N PHE A 15 130.640 2.415 -7.823 1.00 0.00 N ATOM 208 CA PHE A 15 129.941 1.993 -6.604 1.00 0.00 C ATOM 209 C PHE A 15 130.373 0.580 -6.198 1.00 0.00 C ATOM 210 O PHE A 15 130.430 0.261 -5.018 1.00 0.00 O ATOM 211 CB PHE A 15 128.404 2.053 -6.812 1.00 0.00 C ATOM 212 CG PHE A 15 127.561 1.609 -5.626 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.555 2.330 -4.448 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.763 0.481 -5.707 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.779 1.937 -3.376 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.984 0.085 -4.633 1.00 0.00 C ATOM 217 CZ PHE A 15 125.995 0.814 -3.471 1.00 0.00 C ATOM 0 H PHE A 15 130.017 2.623 -8.603 1.00 0.00 H new ATOM 0 HA PHE A 15 130.208 2.678 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 15 128.130 3.077 -7.066 1.00 0.00 H new ATOM 0 HB3 PHE A 15 128.147 1.432 -7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.167 3.216 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.748 -0.097 -6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.789 2.513 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 15 125.367 -0.798 -4.710 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.388 0.505 -2.633 1.00 0.00 H new ATOM 227 N ASP A 16 130.719 -0.239 -7.180 1.00 0.00 N ATOM 228 CA ASP A 16 131.130 -1.617 -6.914 1.00 0.00 C ATOM 229 C ASP A 16 132.437 -1.668 -6.140 1.00 0.00 C ATOM 230 O ASP A 16 132.601 -2.512 -5.259 1.00 0.00 O ATOM 231 CB ASP A 16 131.244 -2.461 -8.202 1.00 0.00 C ATOM 232 CG ASP A 16 132.506 -2.239 -9.024 1.00 0.00 C ATOM 233 OD1 ASP A 16 132.820 -1.095 -9.368 1.00 0.00 O ATOM 234 OD2 ASP A 16 133.168 -3.230 -9.398 1.00 0.00 O ATOM 0 H ASP A 16 130.725 0.022 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 16 130.341 -2.055 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 16 131.190 -3.515 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.380 -2.249 -8.832 1.00 0.00 H new ATOM 239 N LYS A 17 133.354 -0.742 -6.413 1.00 0.00 N ATOM 240 CA LYS A 17 134.623 -0.790 -5.716 1.00 0.00 C ATOM 241 C LYS A 17 134.506 -0.091 -4.385 1.00 0.00 C ATOM 242 O LYS A 17 135.230 -0.415 -3.454 1.00 0.00 O ATOM 243 CB LYS A 17 135.793 -0.246 -6.532 1.00 0.00 C ATOM 244 CG LYS A 17 135.804 1.249 -6.735 1.00 0.00 C ATOM 245 CD LYS A 17 137.071 1.755 -7.441 1.00 0.00 C ATOM 246 CE LYS A 17 137.240 1.264 -8.887 1.00 0.00 C ATOM 247 NZ LYS A 17 137.670 -0.156 -8.997 1.00 0.00 N ATOM 0 H LYS A 17 133.245 0.018 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 17 134.854 -1.843 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 17 136.722 -0.535 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 17 135.787 -0.728 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 17 134.931 1.536 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 17 135.714 1.741 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.060 2.845 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.941 1.445 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.295 1.389 -9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.972 1.895 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.451 -0.230 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.989 -0.495 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 136.871 -0.737 -9.322 1.00 0.00 H new ATOM 261 N LEU A 18 133.577 0.864 -4.313 1.00 0.00 N ATOM 262 CA LEU A 18 133.212 1.537 -3.066 1.00 0.00 C ATOM 263 C LEU A 18 132.766 0.491 -2.078 1.00 0.00 C ATOM 264 O LEU A 18 133.312 0.346 -0.988 1.00 0.00 O ATOM 265 CB LEU A 18 132.020 2.495 -3.339 1.00 0.00 C ATOM 266 CG LEU A 18 131.243 3.021 -2.109 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.094 3.917 -1.265 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.990 3.751 -2.528 1.00 0.00 C ATOM 0 H LEU A 18 133.054 1.194 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 18 134.062 2.098 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.397 3.354 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.314 1.980 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 18 130.961 2.152 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.516 4.268 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.965 3.365 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.421 4.772 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.464 4.109 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.257 4.598 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.343 3.073 -3.085 1.00 0.00 H new ATOM 280 N LEU A 19 131.830 -0.276 -2.537 1.00 0.00 N ATOM 281 CA LEU A 19 131.146 -1.271 -1.781 1.00 0.00 C ATOM 282 C LEU A 19 132.067 -2.449 -1.438 1.00 0.00 C ATOM 283 O LEU A 19 131.859 -3.147 -0.447 1.00 0.00 O ATOM 284 CB LEU A 19 129.996 -1.730 -2.647 1.00 0.00 C ATOM 285 CG LEU A 19 128.770 -2.236 -1.955 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.232 -1.152 -1.018 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.741 -2.586 -3.014 1.00 0.00 C ATOM 0 H LEU A 19 131.506 -0.220 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 19 130.801 -0.867 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.702 -0.897 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.363 -2.520 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 19 128.998 -3.121 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.338 -1.519 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.991 -0.902 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.983 -0.262 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.836 -2.958 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.502 -1.697 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 19 128.144 -3.355 -3.673 1.00 0.00 H new ATOM 299 N SER A 20 133.071 -2.667 -2.257 1.00 0.00 N ATOM 300 CA SER A 20 133.998 -3.758 -2.044 1.00 0.00 C ATOM 301 C SER A 20 135.313 -3.292 -1.388 1.00 0.00 C ATOM 302 O SER A 20 136.250 -4.083 -1.222 1.00 0.00 O ATOM 303 CB SER A 20 134.256 -4.469 -3.363 1.00 0.00 C ATOM 304 OG SER A 20 133.016 -4.881 -3.944 1.00 0.00 O ATOM 0 H SER A 20 133.268 -2.100 -3.082 1.00 0.00 H new ATOM 0 HA SER A 20 133.543 -4.458 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.785 -3.805 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.897 -5.335 -3.200 1.00 0.00 H new ATOM 0 HG SER A 20 132.653 -4.153 -4.491 1.00 0.00 H new ATOM 310 N HIS A 21 135.384 -2.022 -1.016 1.00 0.00 N ATOM 311 CA HIS A 21 136.546 -1.513 -0.310 1.00 0.00 C ATOM 312 C HIS A 21 136.071 -1.402 1.092 1.00 0.00 C ATOM 313 O HIS A 21 135.017 -0.828 1.301 1.00 0.00 O ATOM 314 CB HIS A 21 136.973 -0.102 -0.819 1.00 0.00 C ATOM 315 CG HIS A 21 138.394 0.310 -0.473 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.718 1.231 0.506 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.575 -0.042 -1.042 1.00 0.00 C ATOM 318 CE1 HIS A 21 140.030 1.417 0.513 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.565 0.659 -0.410 1.00 0.00 N ATOM 0 H HIS A 21 134.655 -1.331 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 21 137.414 -2.158 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.858 -0.074 -1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 21 136.287 0.638 -0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.709 -0.748 -1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.568 2.083 1.171 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.561 0.600 -0.624 1.00 0.00 H new ATOM 328 N ARG A 22 136.792 -1.937 2.042 1.00 0.00 N ATOM 329 CA ARG A 22 136.318 -1.936 3.429 1.00 0.00 C ATOM 330 C ARG A 22 136.063 -0.490 3.895 1.00 0.00 C ATOM 331 O ARG A 22 135.050 -0.205 4.503 1.00 0.00 O ATOM 332 CB ARG A 22 137.305 -2.709 4.350 1.00 0.00 C ATOM 333 CG ARG A 22 136.737 -3.139 5.717 1.00 0.00 C ATOM 334 CD ARG A 22 136.496 -1.970 6.650 1.00 0.00 C ATOM 335 NE ARG A 22 135.770 -2.347 7.858 1.00 0.00 N ATOM 336 CZ ARG A 22 135.315 -1.485 8.759 1.00 0.00 C ATOM 337 NH1 ARG A 22 135.593 -0.192 8.638 1.00 0.00 N ATOM 338 NH2 ARG A 22 134.603 -1.912 9.791 1.00 0.00 N ATOM 0 H ARG A 22 137.701 -2.378 1.899 1.00 0.00 H new ATOM 0 HA ARG A 22 135.367 -2.465 3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.647 -3.599 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 22 138.181 -2.084 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.800 -3.674 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 22 137.429 -3.837 6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.454 -1.532 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 22 135.935 -1.199 6.121 1.00 0.00 H new ATOM 0 HE ARG A 22 135.601 -3.340 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 22 136.155 0.137 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 22 135.244 0.472 9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 22 134.402 -2.907 9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 22 134.255 -1.246 10.481 1.00 0.00 H new ATOM 352 N ASP A 23 136.953 0.418 3.548 1.00 0.00 N ATOM 353 CA ASP A 23 136.762 1.848 3.884 1.00 0.00 C ATOM 354 C ASP A 23 135.546 2.450 3.187 1.00 0.00 C ATOM 355 O ASP A 23 134.960 3.400 3.673 1.00 0.00 O ATOM 356 CB ASP A 23 137.995 2.697 3.564 1.00 0.00 C ATOM 357 CG ASP A 23 139.190 2.324 4.381 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.178 2.536 5.593 1.00 0.00 O ATOM 359 OD2 ASP A 23 140.146 1.764 3.823 1.00 0.00 O ATOM 0 H ASP A 23 137.812 0.212 3.039 1.00 0.00 H new ATOM 0 HA ASP A 23 136.596 1.867 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 23 138.237 2.591 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.760 3.748 3.733 1.00 0.00 H new ATOM 364 N GLY A 24 135.160 1.885 2.061 1.00 0.00 N ATOM 365 CA GLY A 24 134.033 2.417 1.327 1.00 0.00 C ATOM 366 C GLY A 24 132.769 1.848 1.844 1.00 0.00 C ATOM 367 O GLY A 24 131.763 2.538 1.941 1.00 0.00 O ATOM 0 H GLY A 24 135.604 1.069 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 134.013 3.503 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.138 2.184 0.267 1.00 0.00 H new ATOM 371 N LEU A 25 132.828 0.578 2.178 1.00 0.00 N ATOM 372 CA LEU A 25 131.768 -0.112 2.861 1.00 0.00 C ATOM 373 C LEU A 25 131.441 0.644 4.133 1.00 0.00 C ATOM 374 O LEU A 25 130.293 0.893 4.434 1.00 0.00 O ATOM 375 CB LEU A 25 132.198 -1.588 3.107 1.00 0.00 C ATOM 376 CG LEU A 25 131.734 -2.306 4.392 1.00 0.00 C ATOM 377 CD1 LEU A 25 131.691 -3.803 4.139 1.00 0.00 C ATOM 378 CD2 LEU A 25 132.738 -2.043 5.532 1.00 0.00 C ATOM 0 H LEU A 25 133.634 -0.013 1.976 1.00 0.00 H new ATOM 0 HA LEU A 25 130.856 -0.147 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.849 -2.177 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 133.287 -1.619 3.090 1.00 0.00 H new ATOM 0 HG LEU A 25 130.748 -1.933 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 25 131.364 -4.316 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 25 130.993 -4.015 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 25 132.685 -4.154 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 25 132.404 -2.553 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 25 133.720 -2.418 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.800 -0.971 5.722 1.00 0.00 H new ATOM 390 N GLU A 26 132.491 1.063 4.808 1.00 0.00 N ATOM 391 CA GLU A 26 132.422 1.859 6.000 1.00 0.00 C ATOM 392 C GLU A 26 131.806 3.227 5.695 1.00 0.00 C ATOM 393 O GLU A 26 130.894 3.663 6.398 1.00 0.00 O ATOM 394 CB GLU A 26 133.838 1.981 6.554 1.00 0.00 C ATOM 395 CG GLU A 26 134.044 2.960 7.723 1.00 0.00 C ATOM 396 CD GLU A 26 133.367 2.561 9.008 1.00 0.00 C ATOM 397 OE1 GLU A 26 133.916 1.700 9.738 1.00 0.00 O ATOM 398 OE2 GLU A 26 132.297 3.108 9.333 1.00 0.00 O ATOM 0 H GLU A 26 133.447 0.847 4.525 1.00 0.00 H new ATOM 0 HA GLU A 26 131.780 1.390 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 26 134.162 0.992 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 26 134.497 2.281 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 26 135.113 3.062 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 26 133.677 3.942 7.425 1.00 0.00 H new ATOM 405 N ALA A 27 132.254 3.873 4.612 1.00 0.00 N ATOM 406 CA ALA A 27 131.739 5.196 4.268 1.00 0.00 C ATOM 407 C ALA A 27 130.253 5.131 3.930 1.00 0.00 C ATOM 408 O ALA A 27 129.445 5.900 4.464 1.00 0.00 O ATOM 409 CB ALA A 27 132.514 5.819 3.105 1.00 0.00 C ATOM 0 H ALA A 27 132.959 3.507 3.972 1.00 0.00 H new ATOM 0 HA ALA A 27 131.874 5.831 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.102 6.802 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.564 5.920 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.429 5.179 2.227 1.00 0.00 H new ATOM 415 N PHE A 28 129.889 4.182 3.095 1.00 0.00 N ATOM 416 CA PHE A 28 128.530 4.067 2.629 1.00 0.00 C ATOM 417 C PHE A 28 127.608 3.520 3.720 1.00 0.00 C ATOM 418 O PHE A 28 126.482 3.977 3.848 1.00 0.00 O ATOM 419 CB PHE A 28 128.452 3.223 1.347 1.00 0.00 C ATOM 420 CG PHE A 28 127.137 3.338 0.619 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.852 4.468 -0.129 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.197 2.325 0.671 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.658 4.588 -0.808 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.999 2.440 -0.005 1.00 0.00 C ATOM 425 CZ PHE A 28 124.730 3.572 -0.745 1.00 0.00 C ATOM 0 H PHE A 28 130.524 3.475 2.724 1.00 0.00 H new ATOM 0 HA PHE A 28 128.179 5.069 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.256 3.525 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.625 2.177 1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.576 5.268 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.402 1.435 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.451 5.476 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.272 1.643 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.793 3.662 -1.274 1.00 0.00 H new ATOM 435 N THR A 29 128.091 2.575 4.537 1.00 0.00 N ATOM 436 CA THR A 29 127.249 2.011 5.593 1.00 0.00 C ATOM 437 C THR A 29 126.845 3.098 6.601 1.00 0.00 C ATOM 438 O THR A 29 125.683 3.209 6.942 1.00 0.00 O ATOM 439 CB THR A 29 127.874 0.739 6.327 1.00 0.00 C ATOM 440 OG1 THR A 29 126.887 0.079 7.147 1.00 0.00 O ATOM 441 CG2 THR A 29 129.046 1.103 7.233 1.00 0.00 C ATOM 0 H THR A 29 129.036 2.194 4.489 1.00 0.00 H new ATOM 0 HA THR A 29 126.356 1.636 5.093 1.00 0.00 H new ATOM 0 HB THR A 29 128.223 0.083 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 29 127.293 -0.698 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 29 129.433 0.201 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.834 1.568 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.710 1.801 8.000 1.00 0.00 H new ATOM 449 N ARG A 30 127.780 3.965 6.986 1.00 0.00 N ATOM 450 CA ARG A 30 127.477 4.997 7.970 1.00 0.00 C ATOM 451 C ARG A 30 126.671 6.135 7.340 1.00 0.00 C ATOM 452 O ARG A 30 125.962 6.873 8.029 1.00 0.00 O ATOM 453 CB ARG A 30 128.750 5.488 8.664 1.00 0.00 C ATOM 454 CG ARG A 30 129.756 6.188 7.767 1.00 0.00 C ATOM 455 CD ARG A 30 131.103 6.292 8.458 1.00 0.00 C ATOM 456 NE ARG A 30 131.011 6.970 9.749 1.00 0.00 N ATOM 457 CZ ARG A 30 131.506 6.493 10.902 1.00 0.00 C ATOM 458 NH1 ARG A 30 132.046 5.265 10.948 1.00 0.00 N ATOM 459 NH2 ARG A 30 131.416 7.216 12.015 1.00 0.00 N ATOM 0 H ARG A 30 128.738 3.973 6.637 1.00 0.00 H new ATOM 0 HA ARG A 30 126.849 4.560 8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.466 6.171 9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 30 129.240 4.634 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.862 5.638 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.394 7.184 7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.513 5.293 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 30 131.798 6.832 7.815 1.00 0.00 H new ATOM 0 HE ARG A 30 130.536 7.872 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.081 4.691 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 30 132.421 4.905 11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 30 130.971 8.133 11.993 1.00 0.00 H new ATOM 0 HH22 ARG A 30 131.792 6.853 12.891 1.00 0.00 H new ATOM 473 N PHE A 31 126.772 6.256 6.032 1.00 0.00 N ATOM 474 CA PHE A 31 125.970 7.203 5.283 1.00 0.00 C ATOM 475 C PHE A 31 124.530 6.717 5.234 1.00 0.00 C ATOM 476 O PHE A 31 123.578 7.480 5.415 1.00 0.00 O ATOM 477 CB PHE A 31 126.528 7.361 3.852 1.00 0.00 C ATOM 478 CG PHE A 31 125.612 8.103 2.920 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.498 9.477 2.979 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.850 7.409 1.992 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.638 10.145 2.136 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.996 8.072 1.148 1.00 0.00 C ATOM 483 CZ PHE A 31 123.887 9.442 1.221 1.00 0.00 C ATOM 0 H PHE A 31 127.410 5.703 5.459 1.00 0.00 H new ATOM 0 HA PHE A 31 126.006 8.174 5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.483 7.885 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.727 6.372 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 31 126.088 10.033 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.930 6.334 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.553 11.220 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 31 123.410 7.520 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 31 123.212 9.966 0.560 1.00 0.00 H new ATOM 493 N LEU A 32 124.387 5.453 5.010 1.00 0.00 N ATOM 494 CA LEU A 32 123.104 4.847 4.870 1.00 0.00 C ATOM 495 C LEU A 32 122.433 4.704 6.250 1.00 0.00 C ATOM 496 O LEU A 32 121.208 4.832 6.380 1.00 0.00 O ATOM 497 CB LEU A 32 123.291 3.503 4.181 1.00 0.00 C ATOM 498 CG LEU A 32 122.109 2.970 3.403 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.685 3.979 2.348 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.483 1.661 2.743 1.00 0.00 C ATOM 0 H LEU A 32 125.168 4.803 4.918 1.00 0.00 H new ATOM 0 HA LEU A 32 122.444 5.466 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.138 3.584 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.560 2.767 4.938 1.00 0.00 H new ATOM 0 HG LEU A 32 121.277 2.802 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.833 3.588 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.404 4.915 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.514 4.159 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.629 1.279 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.320 1.822 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.769 0.937 3.506 1.00 0.00 H new ATOM 512 N LYS A 33 123.249 4.474 7.279 1.00 0.00 N ATOM 513 CA LYS A 33 122.765 4.364 8.653 1.00 0.00 C ATOM 514 C LYS A 33 122.262 5.682 9.204 1.00 0.00 C ATOM 515 O LYS A 33 121.299 5.695 9.968 1.00 0.00 O ATOM 516 CB LYS A 33 123.826 3.784 9.600 1.00 0.00 C ATOM 517 CG LYS A 33 124.105 2.317 9.385 1.00 0.00 C ATOM 518 CD LYS A 33 125.102 1.777 10.385 1.00 0.00 C ATOM 519 CE LYS A 33 125.231 0.280 10.223 1.00 0.00 C ATOM 520 NZ LYS A 33 126.076 -0.342 11.254 1.00 0.00 N ATOM 0 H LYS A 33 124.258 4.359 7.184 1.00 0.00 H new ATOM 0 HA LYS A 33 121.924 3.672 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.754 4.342 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.500 3.934 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.174 1.756 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.486 2.165 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.072 2.253 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.780 2.016 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 33 124.239 -0.170 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 33 125.648 0.062 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 126.126 -1.368 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 127.033 0.063 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 125.667 -0.161 12.193 1.00 0.00 H new ATOM 534 N THR A 34 122.880 6.788 8.811 1.00 0.00 N ATOM 535 CA THR A 34 122.484 8.084 9.338 1.00 0.00 C ATOM 536 C THR A 34 121.099 8.511 8.801 1.00 0.00 C ATOM 537 O THR A 34 120.409 9.333 9.412 1.00 0.00 O ATOM 538 CB THR A 34 123.578 9.198 9.109 1.00 0.00 C ATOM 539 OG1 THR A 34 123.255 10.386 9.849 1.00 0.00 O ATOM 540 CG2 THR A 34 123.716 9.568 7.643 1.00 0.00 C ATOM 0 H THR A 34 123.647 6.814 8.139 1.00 0.00 H new ATOM 0 HA THR A 34 122.396 7.969 10.418 1.00 0.00 H new ATOM 0 HB THR A 34 124.523 8.781 9.458 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.945 11.065 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.480 10.338 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 34 124.004 8.686 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.763 9.946 7.272 1.00 0.00 H new ATOM 548 N GLU A 35 120.685 7.935 7.671 1.00 0.00 N ATOM 549 CA GLU A 35 119.361 8.215 7.141 1.00 0.00 C ATOM 550 C GLU A 35 118.424 7.026 7.352 1.00 0.00 C ATOM 551 O GLU A 35 117.296 7.019 6.864 1.00 0.00 O ATOM 552 CB GLU A 35 119.399 8.619 5.664 1.00 0.00 C ATOM 553 CG GLU A 35 119.996 7.590 4.724 1.00 0.00 C ATOM 554 CD GLU A 35 119.761 7.962 3.287 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.556 8.723 2.710 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.735 7.528 2.717 1.00 0.00 O ATOM 0 H GLU A 35 121.241 7.283 7.117 1.00 0.00 H new ATOM 0 HA GLU A 35 118.972 9.067 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.382 8.837 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.968 9.544 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.067 7.503 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.557 6.613 4.925 1.00 0.00 H new ATOM 563 N PHE A 36 118.916 6.019 8.080 1.00 0.00 N ATOM 564 CA PHE A 36 118.146 4.813 8.440 1.00 0.00 C ATOM 565 C PHE A 36 117.720 3.987 7.212 1.00 0.00 C ATOM 566 O PHE A 36 116.805 3.177 7.281 1.00 0.00 O ATOM 567 CB PHE A 36 116.926 5.177 9.312 1.00 0.00 C ATOM 568 CG PHE A 36 117.284 5.847 10.615 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.684 5.096 11.707 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.227 7.227 10.741 1.00 0.00 C ATOM 571 CE1 PHE A 36 118.019 5.705 12.900 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.561 7.842 11.931 1.00 0.00 C ATOM 573 CZ PHE A 36 117.958 7.080 13.013 1.00 0.00 C ATOM 0 H PHE A 36 119.870 6.013 8.442 1.00 0.00 H new ATOM 0 HA PHE A 36 118.814 4.180 9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.270 5.836 8.744 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.360 4.270 9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.735 4.020 11.625 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.918 7.828 9.898 1.00 0.00 H new ATOM 0 HE1 PHE A 36 118.328 5.107 13.744 1.00 0.00 H new ATOM 0 HE2 PHE A 36 117.512 8.918 12.016 1.00 0.00 H new ATOM 0 HZ PHE A 36 118.220 7.559 13.945 1.00 0.00 H new ATOM 583 N SER A 37 118.427 4.146 6.116 1.00 0.00 N ATOM 584 CA SER A 37 118.133 3.402 4.901 1.00 0.00 C ATOM 585 C SER A 37 119.088 2.214 4.793 1.00 0.00 C ATOM 586 O SER A 37 119.160 1.531 3.764 1.00 0.00 O ATOM 587 CB SER A 37 118.284 4.316 3.684 1.00 0.00 C ATOM 588 OG SER A 37 117.479 5.481 3.821 1.00 0.00 O ATOM 0 H SER A 37 119.216 4.787 6.036 1.00 0.00 H new ATOM 0 HA SER A 37 117.107 3.035 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.329 4.603 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.999 3.776 2.781 1.00 0.00 H new ATOM 0 HG SER A 37 117.884 6.219 3.320 1.00 0.00 H new ATOM 594 N GLU A 38 119.773 1.943 5.902 1.00 0.00 N ATOM 595 CA GLU A 38 120.789 0.898 6.003 1.00 0.00 C ATOM 596 C GLU A 38 120.249 -0.506 5.747 1.00 0.00 C ATOM 597 O GLU A 38 121.008 -1.429 5.448 1.00 0.00 O ATOM 598 CB GLU A 38 121.549 1.009 7.336 1.00 0.00 C ATOM 599 CG GLU A 38 120.702 1.236 8.595 1.00 0.00 C ATOM 600 CD GLU A 38 119.732 0.131 8.898 1.00 0.00 C ATOM 601 OE1 GLU A 38 120.139 -0.897 9.476 1.00 0.00 O ATOM 602 OE2 GLU A 38 118.548 0.289 8.583 1.00 0.00 O ATOM 0 H GLU A 38 119.634 2.454 6.773 1.00 0.00 H new ATOM 0 HA GLU A 38 121.501 1.068 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.127 0.096 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.263 1.829 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 38 121.368 1.362 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 38 120.148 2.168 8.482 1.00 0.00 H new ATOM 609 N GLU A 39 118.947 -0.624 5.845 1.00 0.00 N ATOM 610 CA GLU A 39 118.198 -1.837 5.594 1.00 0.00 C ATOM 611 C GLU A 39 118.454 -2.397 4.189 1.00 0.00 C ATOM 612 O GLU A 39 118.414 -3.590 3.995 1.00 0.00 O ATOM 613 CB GLU A 39 116.706 -1.551 5.827 1.00 0.00 C ATOM 614 CG GLU A 39 116.213 -0.291 5.115 1.00 0.00 C ATOM 615 CD GLU A 39 114.799 0.085 5.468 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.552 0.531 6.594 1.00 0.00 O ATOM 617 OE2 GLU A 39 113.913 -0.030 4.627 1.00 0.00 O ATOM 0 H GLU A 39 118.351 0.158 6.114 1.00 0.00 H new ATOM 0 HA GLU A 39 118.534 -2.609 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.122 -2.405 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.526 -1.449 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.874 0.539 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.282 -0.442 4.038 1.00 0.00 H new ATOM 624 N ASN A 40 118.748 -1.528 3.231 1.00 0.00 N ATOM 625 CA ASN A 40 119.047 -1.965 1.861 1.00 0.00 C ATOM 626 C ASN A 40 120.425 -2.668 1.806 1.00 0.00 C ATOM 627 O ASN A 40 120.564 -3.865 1.378 1.00 0.00 O ATOM 628 CB ASN A 40 119.018 -0.763 0.872 1.00 0.00 C ATOM 629 CG ASN A 40 117.623 -0.163 0.618 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.604 -0.857 0.647 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.573 1.127 0.350 1.00 0.00 N ATOM 0 H ASN A 40 118.787 -0.518 3.370 1.00 0.00 H new ATOM 0 HA ASN A 40 118.277 -2.675 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.670 0.021 1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.437 -1.086 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.676 1.574 0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.431 1.678 0.332 1.00 0.00 H new ATOM 638 N ILE A 41 121.445 -1.977 2.284 1.00 0.00 N ATOM 639 CA ILE A 41 122.782 -2.531 2.232 1.00 0.00 C ATOM 640 C ILE A 41 122.845 -3.766 3.132 1.00 0.00 C ATOM 641 O ILE A 41 123.431 -4.780 2.774 1.00 0.00 O ATOM 642 CB ILE A 41 123.895 -1.480 2.611 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.207 -1.793 1.875 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.133 -1.396 4.125 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.334 -0.829 2.182 1.00 0.00 C ATOM 0 H ILE A 41 121.375 -1.050 2.704 1.00 0.00 H new ATOM 0 HA ILE A 41 122.992 -2.819 1.202 1.00 0.00 H new ATOM 0 HB ILE A 41 123.532 -0.503 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.525 -2.802 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.019 -1.786 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.908 -0.658 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.209 -1.100 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.451 -2.370 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.224 -1.120 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.038 0.180 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.552 -0.853 3.250 1.00 0.00 H new ATOM 657 N GLU A 42 122.140 -3.707 4.261 1.00 0.00 N ATOM 658 CA GLU A 42 122.130 -4.797 5.174 1.00 0.00 C ATOM 659 C GLU A 42 121.197 -5.906 4.790 1.00 0.00 C ATOM 660 O GLU A 42 121.216 -6.984 5.390 1.00 0.00 O ATOM 661 CB GLU A 42 122.053 -4.383 6.617 1.00 0.00 C ATOM 662 CG GLU A 42 123.414 -3.988 7.150 1.00 0.00 C ATOM 663 CD GLU A 42 123.378 -3.503 8.563 1.00 0.00 C ATOM 664 OE1 GLU A 42 122.947 -4.250 9.457 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.806 -2.365 8.820 1.00 0.00 O ATOM 0 H GLU A 42 121.576 -2.906 4.545 1.00 0.00 H new ATOM 0 HA GLU A 42 123.119 -5.246 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.363 -3.546 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.651 -5.203 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.085 -4.845 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.832 -3.206 6.516 1.00 0.00 H new ATOM 672 N PHE A 43 120.407 -5.649 3.785 1.00 0.00 N ATOM 673 CA PHE A 43 119.606 -6.653 3.152 1.00 0.00 C ATOM 674 C PHE A 43 120.539 -7.645 2.532 1.00 0.00 C ATOM 675 O PHE A 43 120.511 -8.847 2.857 1.00 0.00 O ATOM 676 CB PHE A 43 118.747 -6.005 2.075 1.00 0.00 C ATOM 677 CG PHE A 43 118.110 -6.930 1.107 1.00 0.00 C ATOM 678 CD1 PHE A 43 116.920 -7.490 1.396 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.702 -7.199 -0.125 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.295 -8.299 0.511 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.088 -8.025 -1.023 1.00 0.00 C ATOM 682 CZ PHE A 43 116.877 -8.575 -0.706 1.00 0.00 C ATOM 0 H PHE A 43 120.302 -4.720 3.378 1.00 0.00 H new ATOM 0 HA PHE A 43 118.951 -7.144 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 43 117.963 -5.426 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.366 -5.300 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.457 -7.290 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.653 -6.751 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.336 -8.730 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.554 -8.241 -1.973 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.378 -9.225 -1.409 1.00 0.00 H new ATOM 692 N TRP A 44 121.416 -7.167 1.658 1.00 0.00 N ATOM 693 CA TRP A 44 122.313 -8.134 1.066 1.00 0.00 C ATOM 694 C TRP A 44 123.476 -8.540 1.948 1.00 0.00 C ATOM 695 O TRP A 44 124.038 -9.604 1.762 1.00 0.00 O ATOM 696 CB TRP A 44 122.667 -7.945 -0.412 1.00 0.00 C ATOM 697 CG TRP A 44 123.235 -6.649 -0.844 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.684 -5.802 -1.751 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.467 -6.060 -0.431 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.498 -4.735 -1.945 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.596 -4.861 -1.126 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.475 -6.430 0.465 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.681 -4.031 -0.956 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.553 -5.601 0.632 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.648 -4.415 -0.072 1.00 0.00 C ATOM 0 H TRP A 44 121.520 -6.196 1.364 1.00 0.00 H new ATOM 0 HA TRP A 44 121.676 -9.017 1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.378 -8.725 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.762 -8.120 -0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.736 -5.956 -2.245 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.325 -3.966 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.405 -7.356 1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.765 -3.105 -1.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.337 -5.877 1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.507 -3.778 0.081 1.00 0.00 H new ATOM 716 N ILE A 45 123.813 -7.712 2.922 1.00 0.00 N ATOM 717 CA ILE A 45 124.824 -8.074 3.927 1.00 0.00 C ATOM 718 C ILE A 45 124.348 -9.299 4.718 1.00 0.00 C ATOM 719 O ILE A 45 125.147 -10.185 5.065 1.00 0.00 O ATOM 720 CB ILE A 45 125.144 -6.854 4.853 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.016 -5.832 4.110 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.714 -7.218 6.220 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.330 -4.569 4.882 1.00 0.00 C ATOM 0 H ILE A 45 123.408 -6.784 3.047 1.00 0.00 H new ATOM 0 HA ILE A 45 125.756 -8.341 3.429 1.00 0.00 H new ATOM 0 HB ILE A 45 124.184 -6.395 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 45 126.955 -6.312 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.514 -5.556 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.904 -6.308 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 45 124.999 -7.840 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.647 -7.766 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 45 126.950 -3.914 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.402 -4.057 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 45 126.865 -4.825 5.797 1.00 0.00 H new ATOM 735 N ALA A 46 123.034 -9.371 4.948 1.00 0.00 N ATOM 736 CA ALA A 46 122.440 -10.525 5.595 1.00 0.00 C ATOM 737 C ALA A 46 122.551 -11.729 4.679 1.00 0.00 C ATOM 738 O ALA A 46 122.921 -12.807 5.112 1.00 0.00 O ATOM 739 CB ALA A 46 120.973 -10.285 5.935 1.00 0.00 C ATOM 0 H ALA A 46 122.369 -8.641 4.693 1.00 0.00 H new ATOM 0 HA ALA A 46 122.979 -10.704 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.562 -11.171 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.891 -9.433 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.417 -10.079 5.021 1.00 0.00 H new ATOM 745 N CYS A 47 122.255 -11.527 3.399 1.00 0.00 N ATOM 746 CA CYS A 47 122.293 -12.614 2.424 1.00 0.00 C ATOM 747 C CYS A 47 123.731 -13.082 2.146 1.00 0.00 C ATOM 748 O CYS A 47 123.963 -14.235 1.778 1.00 0.00 O ATOM 749 CB CYS A 47 121.586 -12.221 1.128 1.00 0.00 C ATOM 750 SG CYS A 47 121.454 -13.560 -0.094 1.00 0.00 S ATOM 0 H CYS A 47 121.986 -10.622 3.012 1.00 0.00 H new ATOM 0 HA CYS A 47 121.754 -13.455 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 47 120.584 -11.866 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.120 -11.385 0.676 1.00 0.00 H new ATOM 0 HG CYS A 47 121.810 -13.117 -1.263 1.00 0.00 H new ATOM 756 N GLU A 48 124.691 -12.211 2.332 1.00 0.00 N ATOM 757 CA GLU A 48 126.060 -12.605 2.149 1.00 0.00 C ATOM 758 C GLU A 48 126.481 -13.468 3.341 1.00 0.00 C ATOM 759 O GLU A 48 127.194 -14.473 3.196 1.00 0.00 O ATOM 760 CB GLU A 48 126.973 -11.391 2.004 1.00 0.00 C ATOM 761 CG GLU A 48 128.305 -11.731 1.371 1.00 0.00 C ATOM 762 CD GLU A 48 128.146 -12.188 -0.068 1.00 0.00 C ATOM 763 OE1 GLU A 48 127.706 -13.332 -0.313 1.00 0.00 O ATOM 764 OE2 GLU A 48 128.447 -11.397 -0.988 1.00 0.00 O ATOM 0 H GLU A 48 124.551 -11.239 2.606 1.00 0.00 H new ATOM 0 HA GLU A 48 126.151 -13.180 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 48 126.471 -10.635 1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.145 -10.952 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 48 128.957 -10.858 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.793 -12.516 1.950 1.00 0.00 H new ATOM 771 N ASP A 49 125.966 -13.115 4.519 1.00 0.00 N ATOM 772 CA ASP A 49 126.228 -13.897 5.734 1.00 0.00 C ATOM 773 C ASP A 49 125.435 -15.198 5.659 1.00 0.00 C ATOM 774 O ASP A 49 125.743 -16.203 6.294 1.00 0.00 O ATOM 775 CB ASP A 49 125.853 -13.109 6.991 1.00 0.00 C ATOM 776 CG ASP A 49 126.324 -13.771 8.279 1.00 0.00 C ATOM 777 OD1 ASP A 49 125.614 -14.626 8.836 1.00 0.00 O ATOM 778 OD2 ASP A 49 127.410 -13.411 8.779 1.00 0.00 O ATOM 0 H ASP A 49 125.369 -12.300 4.661 1.00 0.00 H new ATOM 0 HA ASP A 49 127.294 -14.117 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.282 -12.109 6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.770 -12.989 7.027 1.00 0.00 H new ATOM 783 N PHE A 50 124.428 -15.155 4.859 1.00 0.00 N ATOM 784 CA PHE A 50 123.606 -16.279 4.547 1.00 0.00 C ATOM 785 C PHE A 50 124.383 -17.284 3.684 1.00 0.00 C ATOM 786 O PHE A 50 124.215 -18.484 3.821 1.00 0.00 O ATOM 787 CB PHE A 50 122.327 -15.768 3.881 1.00 0.00 C ATOM 788 CG PHE A 50 121.488 -16.776 3.212 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.648 -17.570 3.930 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.543 -16.919 1.845 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.872 -18.499 3.306 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.770 -17.841 1.213 1.00 0.00 C ATOM 793 CZ PHE A 50 119.932 -18.635 1.944 1.00 0.00 C ATOM 0 H PHE A 50 124.140 -14.301 4.382 1.00 0.00 H new ATOM 0 HA PHE A 50 123.321 -16.820 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.723 -15.270 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.603 -15.012 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.596 -17.463 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.207 -16.292 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.210 -19.127 3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.818 -17.946 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.316 -19.371 1.448 1.00 0.00 H new ATOM 803 N LYS A 51 125.272 -16.780 2.845 1.00 0.00 N ATOM 804 CA LYS A 51 126.125 -17.641 2.037 1.00 0.00 C ATOM 805 C LYS A 51 127.199 -18.255 2.934 1.00 0.00 C ATOM 806 O LYS A 51 127.716 -19.345 2.673 1.00 0.00 O ATOM 807 CB LYS A 51 126.768 -16.857 0.898 1.00 0.00 C ATOM 808 CG LYS A 51 127.578 -17.719 -0.066 1.00 0.00 C ATOM 809 CD LYS A 51 128.215 -16.892 -1.156 1.00 0.00 C ATOM 810 CE LYS A 51 129.245 -15.937 -0.595 1.00 0.00 C ATOM 811 NZ LYS A 51 129.796 -15.062 -1.639 1.00 0.00 N ATOM 0 H LYS A 51 125.423 -15.781 2.704 1.00 0.00 H new ATOM 0 HA LYS A 51 125.519 -18.431 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 51 125.987 -16.340 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 51 127.419 -16.091 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 51 128.352 -18.252 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.929 -18.472 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.687 -17.550 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.445 -16.330 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.791 -15.329 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 51 130.052 -16.503 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.812 -14.917 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 129.660 -15.504 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 129.307 -14.144 -1.617 1.00 0.00 H new ATOM 825 N LYS A 52 127.535 -17.530 3.997 1.00 0.00 N ATOM 826 CA LYS A 52 128.451 -18.025 5.029 1.00 0.00 C ATOM 827 C LYS A 52 127.819 -19.226 5.723 1.00 0.00 C ATOM 828 O LYS A 52 128.497 -20.135 6.178 1.00 0.00 O ATOM 829 CB LYS A 52 128.711 -16.942 6.075 1.00 0.00 C ATOM 830 CG LYS A 52 129.422 -15.703 5.564 1.00 0.00 C ATOM 831 CD LYS A 52 129.527 -14.637 6.661 1.00 0.00 C ATOM 832 CE LYS A 52 130.147 -15.172 7.937 1.00 0.00 C ATOM 833 NZ LYS A 52 129.955 -14.239 9.059 1.00 0.00 N ATOM 0 H LYS A 52 127.184 -16.588 4.170 1.00 0.00 H new ATOM 0 HA LYS A 52 129.393 -18.305 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 52 127.757 -16.641 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.304 -17.374 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.419 -15.970 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.883 -15.297 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 52 130.123 -13.801 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 52 128.533 -14.247 6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 52 129.702 -16.136 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 52 131.212 -15.343 7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.390 -14.634 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 130.401 -13.327 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 128.938 -14.096 9.221 1.00 0.00 H new ATOM 847 N SER A 53 126.512 -19.228 5.734 1.00 0.00 N ATOM 848 CA SER A 53 125.708 -20.240 6.365 1.00 0.00 C ATOM 849 C SER A 53 125.421 -21.362 5.350 1.00 0.00 C ATOM 850 O SER A 53 124.298 -21.824 5.230 1.00 0.00 O ATOM 851 CB SER A 53 124.401 -19.573 6.796 1.00 0.00 C ATOM 852 OG SER A 53 124.660 -18.390 7.561 1.00 0.00 O ATOM 0 H SER A 53 125.958 -18.497 5.287 1.00 0.00 H new ATOM 0 HA SER A 53 126.217 -20.674 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 123.810 -19.320 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 53 123.809 -20.271 7.388 1.00 0.00 H new ATOM 0 HG SER A 53 124.969 -17.676 6.965 1.00 0.00 H new ATOM 858 N LYS A 54 126.488 -21.841 4.701 1.00 0.00 N ATOM 859 CA LYS A 54 126.441 -22.838 3.601 1.00 0.00 C ATOM 860 C LYS A 54 125.896 -24.248 3.959 1.00 0.00 C ATOM 861 O LYS A 54 126.053 -25.205 3.177 1.00 0.00 O ATOM 862 CB LYS A 54 127.807 -22.916 2.876 1.00 0.00 C ATOM 863 CG LYS A 54 129.044 -22.973 3.777 1.00 0.00 C ATOM 864 CD LYS A 54 129.090 -24.200 4.668 1.00 0.00 C ATOM 865 CE LYS A 54 130.331 -24.187 5.530 1.00 0.00 C ATOM 866 NZ LYS A 54 130.375 -25.329 6.454 1.00 0.00 N ATOM 0 H LYS A 54 127.438 -21.544 4.925 1.00 0.00 H new ATOM 0 HA LYS A 54 125.681 -22.451 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 54 127.807 -23.799 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 54 127.898 -22.049 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 54 129.938 -22.953 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.070 -22.080 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.202 -24.230 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 54 129.076 -25.101 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 54 131.215 -24.203 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 54 130.366 -23.259 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.243 -25.280 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 129.546 -25.301 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 130.368 -26.216 5.911 1.00 0.00 H new ATOM 880 N GLY A 55 125.251 -24.367 5.081 1.00 0.00 N ATOM 881 CA GLY A 55 124.626 -25.597 5.448 1.00 0.00 C ATOM 882 C GLY A 55 123.274 -25.639 4.795 1.00 0.00 C ATOM 883 O GLY A 55 122.474 -24.753 5.030 1.00 0.00 O ATOM 0 H GLY A 55 125.145 -23.616 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.232 -26.444 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.529 -25.668 6.531 1.00 0.00 H new ATOM 887 N PRO A 56 122.985 -26.650 3.967 1.00 0.00 N ATOM 888 CA PRO A 56 121.754 -26.703 3.153 1.00 0.00 C ATOM 889 C PRO A 56 120.453 -26.583 3.961 1.00 0.00 C ATOM 890 O PRO A 56 119.472 -26.005 3.480 1.00 0.00 O ATOM 891 CB PRO A 56 121.849 -28.048 2.437 1.00 0.00 C ATOM 892 CG PRO A 56 123.303 -28.360 2.439 1.00 0.00 C ATOM 893 CD PRO A 56 123.822 -27.836 3.742 1.00 0.00 C ATOM 0 HA PRO A 56 121.700 -25.850 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.276 -28.817 2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.456 -27.988 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 56 123.474 -29.433 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.807 -27.887 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.714 -28.566 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.880 -27.580 3.684 1.00 0.00 H new ATOM 901 N GLN A 57 120.451 -27.089 5.177 1.00 0.00 N ATOM 902 CA GLN A 57 119.281 -26.953 6.037 1.00 0.00 C ATOM 903 C GLN A 57 119.243 -25.572 6.660 1.00 0.00 C ATOM 904 O GLN A 57 118.182 -24.942 6.736 1.00 0.00 O ATOM 905 CB GLN A 57 119.227 -28.042 7.102 1.00 0.00 C ATOM 906 CG GLN A 57 118.947 -29.439 6.553 1.00 0.00 C ATOM 907 CD GLN A 57 117.548 -29.610 5.962 1.00 0.00 C ATOM 908 OE1 GLN A 57 116.942 -28.673 5.435 1.00 0.00 O ATOM 909 NE2 GLN A 57 117.021 -30.794 6.069 1.00 0.00 N ATOM 0 H GLN A 57 121.234 -27.593 5.594 1.00 0.00 H new ATOM 0 HA GLN A 57 118.394 -27.077 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.176 -28.058 7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.455 -27.787 7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 57 119.685 -29.670 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 57 119.083 -30.166 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 57 117.547 -31.548 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 57 116.082 -30.968 5.712 1.00 0.00 H new ATOM 918 N GLN A 58 120.419 -25.083 7.052 1.00 0.00 N ATOM 919 CA GLN A 58 120.585 -23.740 7.595 1.00 0.00 C ATOM 920 C GLN A 58 120.075 -22.706 6.585 1.00 0.00 C ATOM 921 O GLN A 58 119.520 -21.673 6.977 1.00 0.00 O ATOM 922 CB GLN A 58 122.069 -23.483 7.950 1.00 0.00 C ATOM 923 CG GLN A 58 122.395 -22.062 8.416 1.00 0.00 C ATOM 924 CD GLN A 58 121.702 -21.658 9.704 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.237 -21.834 10.795 1.00 0.00 O ATOM 926 NE2 GLN A 58 120.518 -21.130 9.589 1.00 0.00 N ATOM 0 H GLN A 58 121.288 -25.614 7.000 1.00 0.00 H new ATOM 0 HA GLN A 58 120.000 -23.648 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.364 -24.181 8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.679 -23.709 7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.473 -21.974 8.553 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.116 -21.360 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 58 120.105 -20.999 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 58 120.003 -20.847 10.422 1.00 0.00 H new ATOM 935 N ILE A 59 120.252 -23.016 5.298 1.00 0.00 N ATOM 936 CA ILE A 59 119.760 -22.185 4.194 1.00 0.00 C ATOM 937 C ILE A 59 118.266 -21.918 4.373 1.00 0.00 C ATOM 938 O ILE A 59 117.847 -20.783 4.417 1.00 0.00 O ATOM 939 CB ILE A 59 119.955 -22.870 2.799 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.401 -23.296 2.558 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.488 -21.967 1.668 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.411 -22.190 2.631 1.00 0.00 C ATOM 0 H ILE A 59 120.743 -23.855 4.990 1.00 0.00 H new ATOM 0 HA ILE A 59 120.337 -21.261 4.217 1.00 0.00 H new ATOM 0 HB ILE A 59 119.339 -23.769 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.666 -24.058 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.467 -23.763 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.637 -22.472 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.430 -21.740 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.062 -21.040 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.407 -22.594 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.180 -21.436 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.382 -21.735 3.621 1.00 0.00 H new ATOM 954 N HIS A 60 117.487 -22.990 4.547 1.00 0.00 N ATOM 955 CA HIS A 60 116.015 -22.897 4.681 1.00 0.00 C ATOM 956 C HIS A 60 115.616 -21.980 5.832 1.00 0.00 C ATOM 957 O HIS A 60 114.674 -21.202 5.730 1.00 0.00 O ATOM 958 CB HIS A 60 115.374 -24.274 4.934 1.00 0.00 C ATOM 959 CG HIS A 60 115.463 -25.277 3.818 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.466 -25.453 2.903 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.393 -26.213 3.535 1.00 0.00 C ATOM 962 CE1 HIS A 60 114.757 -26.455 2.112 1.00 0.00 C ATOM 963 NE2 HIS A 60 115.923 -26.944 2.467 1.00 0.00 N ATOM 0 H HIS A 60 117.847 -23.943 4.600 1.00 0.00 H new ATOM 0 HA HIS A 60 115.655 -22.491 3.736 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.839 -24.708 5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.321 -24.121 5.170 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.331 -26.361 4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.141 -26.819 1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.399 -27.731 2.027 1.00 0.00 H new ATOM 972 N LEU A 61 116.349 -22.077 6.906 1.00 0.00 N ATOM 973 CA LEU A 61 116.080 -21.331 8.127 1.00 0.00 C ATOM 974 C LEU A 61 116.433 -19.867 7.945 1.00 0.00 C ATOM 975 O LEU A 61 115.584 -18.968 8.071 1.00 0.00 O ATOM 976 CB LEU A 61 116.969 -21.879 9.218 1.00 0.00 C ATOM 977 CG LEU A 61 116.981 -23.378 9.372 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.059 -23.762 10.347 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.625 -23.879 9.823 1.00 0.00 C ATOM 0 H LEU A 61 117.166 -22.684 6.970 1.00 0.00 H new ATOM 0 HA LEU A 61 115.023 -21.425 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 61 117.989 -21.545 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.660 -21.439 10.166 1.00 0.00 H new ATOM 0 HG LEU A 61 117.193 -23.844 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.074 -24.846 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.025 -23.424 9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.860 -23.296 11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.654 -24.964 9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.371 -23.428 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.872 -23.607 9.083 1.00 0.00 H new ATOM 991 N LYS A 62 117.693 -19.658 7.632 1.00 0.00 N ATOM 992 CA LYS A 62 118.295 -18.334 7.490 1.00 0.00 C ATOM 993 C LYS A 62 117.598 -17.542 6.357 1.00 0.00 C ATOM 994 O LYS A 62 117.355 -16.343 6.493 1.00 0.00 O ATOM 995 CB LYS A 62 119.809 -18.511 7.220 1.00 0.00 C ATOM 996 CG LYS A 62 120.758 -17.444 7.803 1.00 0.00 C ATOM 997 CD LYS A 62 120.589 -16.066 7.194 1.00 0.00 C ATOM 998 CE LYS A 62 121.643 -15.086 7.723 1.00 0.00 C ATOM 999 NZ LYS A 62 121.496 -14.800 9.164 1.00 0.00 N ATOM 0 H LYS A 62 118.351 -20.419 7.463 1.00 0.00 H new ATOM 0 HA LYS A 62 118.164 -17.758 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.111 -19.482 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.958 -18.543 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.595 -17.377 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.788 -17.770 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.666 -16.134 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.592 -15.687 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.636 -15.496 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.575 -14.152 7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.203 -14.094 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 120.542 -14.429 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.639 -15.675 9.708 1.00 0.00 H new ATOM 1013 N ALA A 63 117.249 -18.229 5.265 1.00 0.00 N ATOM 1014 CA ALA A 63 116.556 -17.592 4.139 1.00 0.00 C ATOM 1015 C ALA A 63 115.188 -17.160 4.554 1.00 0.00 C ATOM 1016 O ALA A 63 114.785 -16.051 4.273 1.00 0.00 O ATOM 1017 CB ALA A 63 116.428 -18.527 2.950 1.00 0.00 C ATOM 0 H ALA A 63 117.434 -19.224 5.136 1.00 0.00 H new ATOM 0 HA ALA A 63 117.154 -16.730 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.909 -18.016 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.421 -18.826 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.862 -19.412 3.242 1.00 0.00 H new ATOM 1023 N LYS A 64 114.482 -18.048 5.239 1.00 0.00 N ATOM 1024 CA LYS A 64 113.124 -17.784 5.706 1.00 0.00 C ATOM 1025 C LYS A 64 113.114 -16.542 6.602 1.00 0.00 C ATOM 1026 O LYS A 64 112.206 -15.714 6.526 1.00 0.00 O ATOM 1027 CB LYS A 64 112.606 -18.998 6.475 1.00 0.00 C ATOM 1028 CG LYS A 64 111.122 -18.990 6.794 1.00 0.00 C ATOM 1029 CD LYS A 64 110.291 -19.021 5.525 1.00 0.00 C ATOM 1030 CE LYS A 64 108.828 -19.287 5.823 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.183 -18.218 6.623 1.00 0.00 N ATOM 0 H LYS A 64 114.833 -18.973 5.488 1.00 0.00 H new ATOM 0 HA LYS A 64 112.474 -17.601 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.830 -19.894 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.160 -19.076 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.876 -19.851 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.876 -18.099 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.389 -18.070 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.673 -19.793 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.289 -19.401 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.741 -20.233 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.236 -18.530 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.761 -18.017 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.099 -17.356 6.047 1.00 0.00 H new ATOM 1045 N ALA A 65 114.159 -16.409 7.401 1.00 0.00 N ATOM 1046 CA ALA A 65 114.317 -15.282 8.290 1.00 0.00 C ATOM 1047 C ALA A 65 114.473 -13.981 7.490 1.00 0.00 C ATOM 1048 O ALA A 65 113.724 -13.023 7.697 1.00 0.00 O ATOM 1049 CB ALA A 65 115.507 -15.505 9.215 1.00 0.00 C ATOM 0 H ALA A 65 114.922 -17.085 7.448 1.00 0.00 H new ATOM 0 HA ALA A 65 113.421 -15.190 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.616 -14.649 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.344 -16.406 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.413 -15.620 8.621 1.00 0.00 H new ATOM 1055 N ILE A 66 115.411 -13.974 6.553 1.00 0.00 N ATOM 1056 CA ILE A 66 115.672 -12.803 5.704 1.00 0.00 C ATOM 1057 C ILE A 66 114.447 -12.493 4.821 1.00 0.00 C ATOM 1058 O ILE A 66 114.110 -11.336 4.574 1.00 0.00 O ATOM 1059 CB ILE A 66 116.953 -13.024 4.840 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.170 -13.162 5.763 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.172 -11.885 3.841 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.473 -13.435 5.046 1.00 0.00 C ATOM 0 H ILE A 66 116.014 -14.772 6.355 1.00 0.00 H new ATOM 0 HA ILE A 66 115.849 -11.940 6.346 1.00 0.00 H new ATOM 0 HB ILE A 66 116.820 -13.939 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.275 -12.246 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.983 -13.969 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.074 -12.079 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.315 -11.820 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.283 -10.944 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.279 -13.518 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.392 -14.367 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.688 -12.617 4.358 1.00 0.00 H new ATOM 1074 N TYR A 67 113.784 -13.536 4.390 1.00 0.00 N ATOM 1075 CA TYR A 67 112.560 -13.446 3.618 1.00 0.00 C ATOM 1076 C TYR A 67 111.505 -12.647 4.384 1.00 0.00 C ATOM 1077 O TYR A 67 111.058 -11.597 3.927 1.00 0.00 O ATOM 1078 CB TYR A 67 112.054 -14.867 3.341 1.00 0.00 C ATOM 1079 CG TYR A 67 110.763 -14.953 2.588 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.706 -14.598 1.263 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.606 -15.404 3.204 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.538 -14.680 0.554 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.424 -15.494 2.511 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.385 -15.135 1.187 1.00 0.00 C ATOM 1085 OH TYR A 67 107.198 -15.238 0.495 1.00 0.00 O ATOM 0 H TYR A 67 114.083 -14.495 4.567 1.00 0.00 H new ATOM 0 HA TYR A 67 112.754 -12.932 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.819 -15.404 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.935 -15.384 4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.601 -14.247 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.635 -15.689 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.511 -14.394 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.530 -15.845 3.005 1.00 0.00 H new ATOM 0 HH TYR A 67 106.498 -15.574 1.094 1.00 0.00 H new ATOM 1095 N GLU A 68 111.177 -13.112 5.568 1.00 0.00 N ATOM 1096 CA GLU A 68 110.148 -12.499 6.394 1.00 0.00 C ATOM 1097 C GLU A 68 110.539 -11.115 6.895 1.00 0.00 C ATOM 1098 O GLU A 68 109.689 -10.264 7.102 1.00 0.00 O ATOM 1099 CB GLU A 68 109.833 -13.389 7.570 1.00 0.00 C ATOM 1100 CG GLU A 68 109.215 -14.712 7.193 1.00 0.00 C ATOM 1101 CD GLU A 68 108.944 -15.554 8.395 1.00 0.00 C ATOM 1102 OE1 GLU A 68 108.283 -15.067 9.337 1.00 0.00 O ATOM 1103 OE2 GLU A 68 109.393 -16.712 8.438 1.00 0.00 O ATOM 0 H GLU A 68 111.615 -13.930 5.992 1.00 0.00 H new ATOM 0 HA GLU A 68 109.267 -12.379 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.751 -13.575 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.154 -12.861 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.285 -14.539 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.882 -15.246 6.517 1.00 0.00 H new ATOM 1110 N LYS A 69 111.812 -10.898 7.067 1.00 0.00 N ATOM 1111 CA LYS A 69 112.303 -9.658 7.623 1.00 0.00 C ATOM 1112 C LYS A 69 112.525 -8.583 6.552 1.00 0.00 C ATOM 1113 O LYS A 69 112.539 -7.384 6.861 1.00 0.00 O ATOM 1114 CB LYS A 69 113.602 -9.939 8.399 1.00 0.00 C ATOM 1115 CG LYS A 69 114.238 -8.739 9.076 1.00 0.00 C ATOM 1116 CD LYS A 69 115.467 -9.146 9.862 1.00 0.00 C ATOM 1117 CE LYS A 69 116.104 -7.952 10.539 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.293 -8.332 11.322 1.00 0.00 N ATOM 0 H LYS A 69 112.541 -11.570 6.828 1.00 0.00 H new ATOM 0 HA LYS A 69 111.545 -9.261 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.394 -10.693 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.328 -10.372 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.511 -7.997 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.515 -8.268 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.193 -9.889 10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.189 -9.617 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.386 -7.216 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.375 -7.475 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 117.699 -7.486 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.021 -9.015 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 118.000 -8.764 10.693 1.00 0.00 H new ATOM 1132 N PHE A 70 112.619 -8.990 5.302 1.00 0.00 N ATOM 1133 CA PHE A 70 113.018 -8.070 4.252 1.00 0.00 C ATOM 1134 C PHE A 70 112.211 -8.250 2.981 1.00 0.00 C ATOM 1135 O PHE A 70 111.594 -7.312 2.494 1.00 0.00 O ATOM 1136 CB PHE A 70 114.518 -8.229 3.925 1.00 0.00 C ATOM 1137 CG PHE A 70 115.474 -7.753 4.983 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.631 -6.397 5.231 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.237 -8.654 5.705 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.523 -5.951 6.181 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.131 -8.214 6.659 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.273 -6.860 6.897 1.00 0.00 C ATOM 0 H PHE A 70 112.427 -9.942 4.989 1.00 0.00 H new ATOM 0 HA PHE A 70 112.825 -7.068 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.718 -9.283 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.728 -7.688 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 70 115.046 -5.682 4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.131 -9.713 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.635 -4.893 6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.719 -8.926 7.219 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.972 -6.514 7.644 1.00 0.00 H new ATOM 1152 N ILE A 71 112.207 -9.465 2.459 1.00 0.00 N ATOM 1153 CA ILE A 71 111.559 -9.784 1.172 1.00 0.00 C ATOM 1154 C ILE A 71 110.058 -9.537 1.236 1.00 0.00 C ATOM 1155 O ILE A 71 109.400 -9.284 0.204 1.00 0.00 O ATOM 1156 CB ILE A 71 111.868 -11.264 0.754 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.373 -11.434 0.608 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.163 -11.701 -0.548 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.001 -10.478 -0.392 1.00 0.00 C ATOM 0 H ILE A 71 112.650 -10.267 2.906 1.00 0.00 H new ATOM 0 HA ILE A 71 111.970 -9.120 0.411 1.00 0.00 H new ATOM 0 HB ILE A 71 111.475 -11.907 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.842 -11.288 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.586 -12.458 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.424 -12.735 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.083 -11.618 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.483 -11.059 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.075 -10.658 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.560 -10.639 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.820 -9.451 -0.076 1.00 0.00 H new ATOM 1171 N GLN A 72 109.528 -9.572 2.437 1.00 0.00 N ATOM 1172 CA GLN A 72 108.128 -9.331 2.641 1.00 0.00 C ATOM 1173 C GLN A 72 107.759 -7.888 2.475 1.00 0.00 C ATOM 1174 O GLN A 72 108.586 -6.995 2.354 1.00 0.00 O ATOM 1175 CB GLN A 72 107.656 -9.781 4.005 1.00 0.00 C ATOM 1176 CG GLN A 72 107.751 -11.238 4.232 1.00 0.00 C ATOM 1177 CD GLN A 72 106.786 -12.093 3.414 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.413 -11.756 2.278 1.00 0.00 O ATOM 1179 NE2 GLN A 72 106.353 -13.183 3.989 1.00 0.00 N ATOM 0 H GLN A 72 110.054 -9.767 3.289 1.00 0.00 H new ATOM 0 HA GLN A 72 107.633 -9.921 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.242 -9.268 4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 72 106.619 -9.471 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 108.769 -11.557 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 72 107.578 -11.436 5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 72 106.679 -13.431 4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.689 -13.786 3.504 1.00 0.00 H new ATOM 1188 N THR A 73 106.519 -7.699 2.497 1.00 0.00 N ATOM 1189 CA THR A 73 105.911 -6.418 2.388 1.00 0.00 C ATOM 1190 C THR A 73 105.390 -6.022 3.773 1.00 0.00 C ATOM 1191 O THR A 73 105.554 -4.891 4.229 1.00 0.00 O ATOM 1192 CB THR A 73 104.772 -6.505 1.370 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.306 -6.987 0.116 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.106 -5.164 1.179 1.00 0.00 C ATOM 0 H THR A 73 105.846 -8.459 2.596 1.00 0.00 H new ATOM 0 HA THR A 73 106.620 -5.663 2.047 1.00 0.00 H new ATOM 0 HB THR A 73 104.014 -7.195 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.585 -7.049 -0.545 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.301 -5.258 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.697 -4.822 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.839 -4.442 0.819 1.00 0.00 H new ATOM 1202 N ASP A 74 104.811 -6.991 4.452 1.00 0.00 N ATOM 1203 CA ASP A 74 104.329 -6.825 5.840 1.00 0.00 C ATOM 1204 C ASP A 74 105.466 -7.123 6.825 1.00 0.00 C ATOM 1205 O ASP A 74 105.240 -7.314 8.032 1.00 0.00 O ATOM 1206 CB ASP A 74 103.133 -7.759 6.140 1.00 0.00 C ATOM 1207 CG ASP A 74 103.501 -9.233 6.232 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.543 -9.913 5.186 1.00 0.00 O ATOM 1209 OD2 ASP A 74 103.715 -9.742 7.346 1.00 0.00 O ATOM 0 H ASP A 74 104.653 -7.924 4.071 1.00 0.00 H new ATOM 0 HA ASP A 74 103.996 -5.794 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.673 -7.452 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.382 -7.631 5.360 1.00 0.00 H new ATOM 1214 N ALA A 75 106.681 -7.118 6.302 1.00 0.00 N ATOM 1215 CA ALA A 75 107.899 -7.371 7.060 1.00 0.00 C ATOM 1216 C ALA A 75 108.075 -6.326 8.155 1.00 0.00 C ATOM 1217 O ALA A 75 107.439 -5.261 8.099 1.00 0.00 O ATOM 1218 CB ALA A 75 109.100 -7.313 6.116 1.00 0.00 C ATOM 0 H ALA A 75 106.854 -6.933 5.314 1.00 0.00 H new ATOM 0 HA ALA A 75 107.828 -8.356 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 75 110.014 -7.502 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.989 -8.070 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.154 -6.326 5.656 1.00 0.00 H new ATOM 1224 N PRO A 76 108.943 -6.609 9.178 1.00 0.00 N ATOM 1225 CA PRO A 76 109.274 -5.642 10.231 1.00 0.00 C ATOM 1226 C PRO A 76 109.756 -4.341 9.607 1.00 0.00 C ATOM 1227 O PRO A 76 109.528 -3.248 10.138 1.00 0.00 O ATOM 1228 CB PRO A 76 110.403 -6.317 11.031 1.00 0.00 C ATOM 1229 CG PRO A 76 110.809 -7.511 10.235 1.00 0.00 C ATOM 1230 CD PRO A 76 109.627 -7.892 9.397 1.00 0.00 C ATOM 0 HA PRO A 76 108.420 -5.391 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 76 111.243 -5.637 11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 76 110.059 -6.608 12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.671 -7.283 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 76 111.100 -8.332 10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.931 -8.352 8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.985 -8.609 9.909 1.00 0.00 H new ATOM 1238 N LYS A 77 110.395 -4.469 8.461 1.00 0.00 N ATOM 1239 CA LYS A 77 110.759 -3.339 7.680 1.00 0.00 C ATOM 1240 C LYS A 77 110.142 -3.496 6.308 1.00 0.00 C ATOM 1241 O LYS A 77 108.927 -3.386 6.196 1.00 0.00 O ATOM 1242 CB LYS A 77 112.273 -3.098 7.629 1.00 0.00 C ATOM 1243 CG LYS A 77 112.880 -2.804 8.988 1.00 0.00 C ATOM 1244 CD LYS A 77 114.332 -2.419 8.874 1.00 0.00 C ATOM 1245 CE LYS A 77 114.925 -2.117 10.235 1.00 0.00 C ATOM 1246 NZ LYS A 77 116.316 -1.659 10.124 1.00 0.00 N ATOM 0 H LYS A 77 110.669 -5.365 8.059 1.00 0.00 H new ATOM 0 HA LYS A 77 110.367 -2.439 8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.759 -3.976 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 77 112.479 -2.263 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.326 -1.998 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 77 112.785 -3.681 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.890 -3.228 8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.430 -1.546 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 77 114.327 -1.353 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 77 114.883 -3.010 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 116.693 -1.461 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 116.890 -2.399 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 116.351 -0.793 9.549 1.00 0.00 H new ATOM 1260 N GLU A 78 110.956 -3.857 5.317 1.00 0.00 N ATOM 1261 CA GLU A 78 110.560 -4.082 3.920 1.00 0.00 C ATOM 1262 C GLU A 78 111.837 -3.876 3.111 1.00 0.00 C ATOM 1263 O GLU A 78 112.875 -3.514 3.688 1.00 0.00 O ATOM 1264 CB GLU A 78 109.520 -3.036 3.430 1.00 0.00 C ATOM 1265 CG GLU A 78 108.750 -3.439 2.182 1.00 0.00 C ATOM 1266 CD GLU A 78 107.881 -2.334 1.658 1.00 0.00 C ATOM 1267 OE1 GLU A 78 106.853 -1.996 2.283 1.00 0.00 O ATOM 1268 OE2 GLU A 78 108.188 -1.787 0.601 1.00 0.00 O ATOM 0 H GLU A 78 111.953 -4.008 5.468 1.00 0.00 H new ATOM 0 HA GLU A 78 110.111 -5.069 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.808 -2.848 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.036 -2.096 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.454 -3.741 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.131 -4.308 2.406 1.00 0.00 H new ATOM 1275 N VAL A 79 111.785 -4.102 1.821 1.00 0.00 N ATOM 1276 CA VAL A 79 112.892 -3.806 0.934 1.00 0.00 C ATOM 1277 C VAL A 79 112.344 -3.127 -0.289 1.00 0.00 C ATOM 1278 O VAL A 79 111.259 -3.485 -0.766 1.00 0.00 O ATOM 1279 CB VAL A 79 113.681 -5.078 0.487 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.851 -4.723 -0.423 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.201 -5.807 1.668 1.00 0.00 C ATOM 0 H VAL A 79 110.971 -4.498 1.351 1.00 0.00 H new ATOM 0 HA VAL A 79 113.590 -3.172 1.480 1.00 0.00 H new ATOM 0 HB VAL A 79 112.984 -5.709 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.376 -5.633 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.478 -4.219 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.537 -4.062 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.748 -6.690 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.869 -5.156 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.369 -6.111 2.303 1.00 0.00 H new ATOM 1291 N ASN A 80 113.076 -2.163 -0.800 1.00 0.00 N ATOM 1292 CA ASN A 80 112.743 -1.483 -2.060 1.00 0.00 C ATOM 1293 C ASN A 80 113.148 -2.407 -3.221 1.00 0.00 C ATOM 1294 O ASN A 80 113.881 -2.021 -4.132 1.00 0.00 O ATOM 1295 CB ASN A 80 113.528 -0.162 -2.173 1.00 0.00 C ATOM 1296 CG ASN A 80 113.289 0.796 -1.029 1.00 0.00 C ATOM 1297 OD1 ASN A 80 112.372 1.610 -1.075 1.00 0.00 O ATOM 1298 ND2 ASN A 80 114.123 0.736 -0.009 1.00 0.00 N ATOM 0 H ASN A 80 113.928 -1.816 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 80 111.676 -1.263 -2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 80 114.593 -0.388 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 80 113.258 0.330 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 80 114.017 1.379 0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 80 114.874 0.046 -0.004 1.00 0.00 H new ATOM 1305 N LEU A 81 112.669 -3.620 -3.161 1.00 0.00 N ATOM 1306 CA LEU A 81 113.027 -4.655 -4.076 1.00 0.00 C ATOM 1307 C LEU A 81 112.058 -4.741 -5.228 1.00 0.00 C ATOM 1308 O LEU A 81 110.852 -4.511 -5.070 1.00 0.00 O ATOM 1309 CB LEU A 81 113.093 -5.993 -3.321 1.00 0.00 C ATOM 1310 CG LEU A 81 113.397 -7.257 -4.124 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.785 -7.212 -4.632 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.171 -8.507 -3.283 1.00 0.00 C ATOM 0 H LEU A 81 112.000 -3.918 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 81 114.004 -4.423 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.852 -5.901 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.137 -6.139 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 81 112.714 -7.300 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 81 114.993 -8.117 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.909 -6.341 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.478 -7.145 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.395 -9.392 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.825 -8.482 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.132 -8.543 -2.956 1.00 0.00 H new ATOM 1324 N ASP A 82 112.618 -5.029 -6.374 1.00 0.00 N ATOM 1325 CA ASP A 82 111.902 -5.286 -7.612 1.00 0.00 C ATOM 1326 C ASP A 82 110.781 -6.306 -7.413 1.00 0.00 C ATOM 1327 O ASP A 82 111.002 -7.390 -6.842 1.00 0.00 O ATOM 1328 CB ASP A 82 112.892 -5.806 -8.645 1.00 0.00 C ATOM 1329 CG ASP A 82 112.251 -6.260 -9.923 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.941 -5.414 -10.769 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.073 -7.485 -10.107 1.00 0.00 O ATOM 0 H ASP A 82 113.630 -5.096 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 82 111.444 -4.357 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.614 -5.021 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.450 -6.637 -8.214 1.00 0.00 H new ATOM 1336 N PHE A 83 109.608 -5.951 -7.894 1.00 0.00 N ATOM 1337 CA PHE A 83 108.388 -6.743 -7.773 1.00 0.00 C ATOM 1338 C PHE A 83 108.561 -8.170 -8.311 1.00 0.00 C ATOM 1339 O PHE A 83 108.186 -9.141 -7.636 1.00 0.00 O ATOM 1340 CB PHE A 83 107.235 -6.011 -8.485 1.00 0.00 C ATOM 1341 CG PHE A 83 105.897 -6.695 -8.438 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.127 -6.662 -7.289 1.00 0.00 C ATOM 1343 CD2 PHE A 83 105.400 -7.346 -9.556 1.00 0.00 C ATOM 1344 CE1 PHE A 83 103.886 -7.269 -7.254 1.00 0.00 C ATOM 1345 CE2 PHE A 83 104.164 -7.957 -9.526 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.404 -7.917 -8.373 1.00 0.00 C ATOM 0 H PHE A 83 109.466 -5.075 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 83 108.152 -6.847 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 83 107.131 -5.020 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.512 -5.867 -9.529 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.500 -6.157 -6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 83 105.988 -7.375 -10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.294 -7.236 -6.351 1.00 0.00 H new ATOM 0 HE2 PHE A 83 103.791 -8.466 -10.402 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.434 -8.392 -8.347 1.00 0.00 H new ATOM 1356 N HIS A 84 109.158 -8.307 -9.487 1.00 0.00 N ATOM 1357 CA HIS A 84 109.356 -9.636 -10.077 1.00 0.00 C ATOM 1358 C HIS A 84 110.379 -10.442 -9.279 1.00 0.00 C ATOM 1359 O HIS A 84 110.250 -11.650 -9.135 1.00 0.00 O ATOM 1360 CB HIS A 84 109.751 -9.555 -11.566 1.00 0.00 C ATOM 1361 CG HIS A 84 110.025 -10.899 -12.213 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.037 -11.800 -12.534 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.193 -11.495 -12.560 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.579 -12.883 -13.045 1.00 0.00 C ATOM 1365 NE2 HIS A 84 110.883 -12.727 -13.072 1.00 0.00 N ATOM 0 H HIS A 84 109.511 -7.532 -10.048 1.00 0.00 H new ATOM 0 HA HIS A 84 108.400 -10.157 -10.028 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.952 -9.057 -12.115 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.640 -8.931 -11.661 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.183 -11.076 -12.453 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.042 -13.756 -13.386 1.00 0.00 H new ATOM 0 HE2 HIS A 84 111.555 -13.412 -13.418 1.00 0.00 H new ATOM 1374 N THR A 85 111.375 -9.774 -8.774 1.00 0.00 N ATOM 1375 CA THR A 85 112.387 -10.414 -7.969 1.00 0.00 C ATOM 1376 C THR A 85 111.778 -10.967 -6.673 1.00 0.00 C ATOM 1377 O THR A 85 112.013 -12.122 -6.321 1.00 0.00 O ATOM 1378 CB THR A 85 113.533 -9.442 -7.685 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.041 -8.965 -8.957 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.655 -10.131 -6.904 1.00 0.00 C ATOM 0 H THR A 85 111.513 -8.772 -8.905 1.00 0.00 H new ATOM 0 HA THR A 85 112.797 -11.258 -8.523 1.00 0.00 H new ATOM 0 HB THR A 85 113.167 -8.613 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.360 -8.413 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.458 -9.418 -6.715 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.265 -10.498 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.042 -10.968 -7.485 1.00 0.00 H new ATOM 1388 N LYS A 86 110.968 -10.138 -6.000 1.00 0.00 N ATOM 1389 CA LYS A 86 110.215 -10.563 -4.802 1.00 0.00 C ATOM 1390 C LYS A 86 109.425 -11.833 -5.120 1.00 0.00 C ATOM 1391 O LYS A 86 109.445 -12.797 -4.362 1.00 0.00 O ATOM 1392 CB LYS A 86 109.206 -9.488 -4.365 1.00 0.00 C ATOM 1393 CG LYS A 86 109.776 -8.156 -3.916 1.00 0.00 C ATOM 1394 CD LYS A 86 108.669 -7.110 -3.761 1.00 0.00 C ATOM 1395 CE LYS A 86 107.587 -7.497 -2.732 1.00 0.00 C ATOM 1396 NZ LYS A 86 108.065 -7.456 -1.327 1.00 0.00 N ATOM 0 H LYS A 86 110.814 -9.165 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 86 110.936 -10.733 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.525 -9.303 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 86 108.609 -9.894 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 86 110.298 -8.281 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.511 -7.808 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 86 109.117 -6.162 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 86 108.195 -6.949 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 86 106.738 -6.822 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 86 107.226 -8.501 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 107.257 -7.303 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 108.527 -8.358 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 108.746 -6.678 -1.215 1.00 0.00 H new ATOM 1410 N GLU A 87 108.768 -11.810 -6.273 1.00 0.00 N ATOM 1411 CA GLU A 87 107.949 -12.907 -6.767 1.00 0.00 C ATOM 1412 C GLU A 87 108.726 -14.218 -6.829 1.00 0.00 C ATOM 1413 O GLU A 87 108.292 -15.236 -6.279 1.00 0.00 O ATOM 1414 CB GLU A 87 107.436 -12.565 -8.152 1.00 0.00 C ATOM 1415 CG GLU A 87 106.677 -13.677 -8.830 1.00 0.00 C ATOM 1416 CD GLU A 87 106.337 -13.322 -10.229 1.00 0.00 C ATOM 1417 OE1 GLU A 87 107.135 -13.586 -11.130 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.258 -12.741 -10.460 1.00 0.00 O ATOM 0 H GLU A 87 108.791 -11.009 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 87 107.120 -13.042 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.788 -11.691 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.282 -12.284 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.275 -14.588 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.764 -13.889 -8.274 1.00 0.00 H new ATOM 1425 N VAL A 88 109.869 -14.195 -7.466 1.00 0.00 N ATOM 1426 CA VAL A 88 110.644 -15.404 -7.636 1.00 0.00 C ATOM 1427 C VAL A 88 111.077 -15.960 -6.272 1.00 0.00 C ATOM 1428 O VAL A 88 110.994 -17.171 -6.025 1.00 0.00 O ATOM 1429 CB VAL A 88 111.856 -15.192 -8.567 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.543 -16.509 -8.829 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.416 -14.564 -9.883 1.00 0.00 C ATOM 0 H VAL A 88 110.285 -13.358 -7.875 1.00 0.00 H new ATOM 0 HA VAL A 88 110.003 -16.141 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 88 112.556 -14.516 -8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.397 -16.349 -9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 88 112.886 -16.934 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.843 -17.196 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.284 -14.422 -10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.701 -15.221 -10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.948 -13.599 -9.687 1.00 0.00 H new ATOM 1441 N ILE A 89 111.431 -15.061 -5.367 1.00 0.00 N ATOM 1442 CA ILE A 89 111.813 -15.438 -4.016 1.00 0.00 C ATOM 1443 C ILE A 89 110.620 -16.080 -3.300 1.00 0.00 C ATOM 1444 O ILE A 89 110.752 -17.138 -2.691 1.00 0.00 O ATOM 1445 CB ILE A 89 112.291 -14.217 -3.204 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.446 -13.524 -3.931 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.712 -14.635 -1.791 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.906 -12.255 -3.266 1.00 0.00 C ATOM 0 H ILE A 89 111.462 -14.057 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 89 112.636 -16.149 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 89 111.464 -13.513 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.287 -14.214 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.137 -13.297 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.045 -13.758 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 89 111.864 -15.088 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.527 -15.357 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.726 -11.821 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.079 -11.546 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.247 -12.477 -2.255 1.00 0.00 H new ATOM 1460 N THR A 90 109.443 -15.463 -3.424 1.00 0.00 N ATOM 1461 CA THR A 90 108.244 -15.983 -2.777 1.00 0.00 C ATOM 1462 C THR A 90 107.887 -17.406 -3.274 1.00 0.00 C ATOM 1463 O THR A 90 107.280 -18.187 -2.553 1.00 0.00 O ATOM 1464 CB THR A 90 107.018 -15.013 -2.903 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.703 -14.747 -4.274 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.289 -13.688 -2.203 1.00 0.00 C ATOM 0 H THR A 90 109.298 -14.609 -3.963 1.00 0.00 H new ATOM 0 HA THR A 90 108.483 -16.054 -1.716 1.00 0.00 H new ATOM 0 HB THR A 90 106.174 -15.512 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.398 -15.129 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.421 -13.037 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.482 -13.868 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.158 -13.209 -2.654 1.00 0.00 H new ATOM 1474 N ASN A 91 108.325 -17.753 -4.487 1.00 0.00 N ATOM 1475 CA ASN A 91 108.064 -19.088 -5.042 1.00 0.00 C ATOM 1476 C ASN A 91 109.225 -20.039 -4.826 1.00 0.00 C ATOM 1477 O ASN A 91 109.099 -21.245 -5.060 1.00 0.00 O ATOM 1478 CB ASN A 91 107.744 -19.051 -6.543 1.00 0.00 C ATOM 1479 CG ASN A 91 106.438 -18.385 -6.865 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.393 -19.015 -6.844 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.487 -17.141 -7.224 1.00 0.00 N ATOM 0 H ASN A 91 108.857 -17.136 -5.100 1.00 0.00 H new ATOM 0 HA ASN A 91 107.191 -19.451 -4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.546 -18.528 -7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.726 -20.071 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.633 -16.656 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.379 -16.646 -7.229 1.00 0.00 H new ATOM 1488 N SER A 92 110.355 -19.527 -4.411 1.00 0.00 N ATOM 1489 CA SER A 92 111.512 -20.361 -4.235 1.00 0.00 C ATOM 1490 C SER A 92 112.098 -20.211 -2.825 1.00 0.00 C ATOM 1491 O SER A 92 113.255 -20.560 -2.583 1.00 0.00 O ATOM 1492 CB SER A 92 112.559 -20.045 -5.321 1.00 0.00 C ATOM 1493 OG SER A 92 113.654 -20.951 -5.268 1.00 0.00 O ATOM 0 H SER A 92 110.497 -18.541 -4.190 1.00 0.00 H new ATOM 0 HA SER A 92 111.210 -21.403 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.091 -20.095 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 92 112.922 -19.025 -5.192 1.00 0.00 H new ATOM 0 HG SER A 92 113.860 -21.161 -4.333 1.00 0.00 H new ATOM 1499 N ILE A 93 111.310 -19.729 -1.896 1.00 0.00 N ATOM 1500 CA ILE A 93 111.779 -19.624 -0.522 1.00 0.00 C ATOM 1501 C ILE A 93 111.581 -20.975 0.167 1.00 0.00 C ATOM 1502 O ILE A 93 112.303 -21.337 1.087 1.00 0.00 O ATOM 1503 CB ILE A 93 111.084 -18.464 0.280 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.747 -18.264 1.648 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.594 -18.698 0.442 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.210 -17.865 1.554 1.00 0.00 C ATOM 0 H ILE A 93 110.355 -19.406 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 93 112.838 -19.366 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 93 111.213 -17.553 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.203 -17.497 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.665 -19.187 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.155 -17.872 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.126 -18.759 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.429 -19.631 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.618 -17.740 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.766 -18.643 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.297 -16.926 1.007 1.00 0.00 H new ATOM 1518 N THR A 94 110.604 -21.722 -0.328 1.00 0.00 N ATOM 1519 CA THR A 94 110.325 -23.075 0.136 1.00 0.00 C ATOM 1520 C THR A 94 111.504 -24.030 -0.220 1.00 0.00 C ATOM 1521 O THR A 94 111.682 -25.089 0.394 1.00 0.00 O ATOM 1522 CB THR A 94 108.979 -23.594 -0.488 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.634 -24.894 0.023 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.061 -23.655 -2.012 1.00 0.00 C ATOM 0 H THR A 94 109.978 -21.404 -1.068 1.00 0.00 H new ATOM 0 HA THR A 94 110.220 -23.058 1.221 1.00 0.00 H new ATOM 0 HB THR A 94 108.203 -22.884 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.792 -25.191 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.115 -24.018 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.264 -22.659 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 94 109.863 -24.332 -2.306 1.00 0.00 H new ATOM 1532 N GLN A 95 112.315 -23.620 -1.195 1.00 0.00 N ATOM 1533 CA GLN A 95 113.472 -24.373 -1.656 1.00 0.00 C ATOM 1534 C GLN A 95 114.568 -23.389 -2.059 1.00 0.00 C ATOM 1535 O GLN A 95 114.740 -23.079 -3.246 1.00 0.00 O ATOM 1536 CB GLN A 95 113.132 -25.295 -2.838 1.00 0.00 C ATOM 1537 CG GLN A 95 112.161 -26.408 -2.509 1.00 0.00 C ATOM 1538 CD GLN A 95 111.801 -27.242 -3.707 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.594 -27.406 -4.639 1.00 0.00 O ATOM 1540 NE2 GLN A 95 110.624 -27.782 -3.695 1.00 0.00 N ATOM 0 H GLN A 95 112.181 -22.740 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 95 113.812 -25.012 -0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 95 112.714 -24.692 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.055 -25.735 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.597 -27.050 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.253 -25.978 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 95 109.998 -27.622 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 95 110.323 -28.367 -4.475 1.00 0.00 H new ATOM 1549 N PRO A 96 115.261 -22.833 -1.076 1.00 0.00 N ATOM 1550 CA PRO A 96 116.295 -21.824 -1.291 1.00 0.00 C ATOM 1551 C PRO A 96 117.684 -22.410 -1.678 1.00 0.00 C ATOM 1552 O PRO A 96 117.870 -23.642 -1.757 1.00 0.00 O ATOM 1553 CB PRO A 96 116.342 -21.129 0.069 1.00 0.00 C ATOM 1554 CG PRO A 96 116.006 -22.189 1.049 1.00 0.00 C ATOM 1555 CD PRO A 96 115.068 -23.121 0.354 1.00 0.00 C ATOM 0 HA PRO A 96 116.065 -21.170 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.328 -20.708 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.629 -20.306 0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.903 -22.714 1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.543 -21.763 1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.298 -24.161 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.036 -22.947 0.659 1.00 0.00 H new ATOM 1563 N THR A 97 118.634 -21.523 -1.924 1.00 0.00 N ATOM 1564 CA THR A 97 120.003 -21.870 -2.304 1.00 0.00 C ATOM 1565 C THR A 97 120.985 -20.938 -1.602 1.00 0.00 C ATOM 1566 O THR A 97 120.567 -20.059 -0.864 1.00 0.00 O ATOM 1567 CB THR A 97 120.207 -21.767 -3.829 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.712 -20.509 -4.313 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.540 -22.911 -4.558 1.00 0.00 C ATOM 0 H THR A 97 118.476 -20.517 -1.865 1.00 0.00 H new ATOM 0 HA THR A 97 120.183 -22.901 -2.001 1.00 0.00 H new ATOM 0 HB THR A 97 121.277 -21.828 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.849 -20.455 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.705 -22.805 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.964 -23.856 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.470 -22.898 -4.353 1.00 0.00 H new ATOM 1577 N LEU A 98 122.270 -21.110 -1.869 1.00 0.00 N ATOM 1578 CA LEU A 98 123.340 -20.349 -1.203 1.00 0.00 C ATOM 1579 C LEU A 98 123.175 -18.822 -1.349 1.00 0.00 C ATOM 1580 O LEU A 98 123.567 -18.061 -0.477 1.00 0.00 O ATOM 1581 CB LEU A 98 124.695 -20.799 -1.710 1.00 0.00 C ATOM 1582 CG LEU A 98 125.770 -20.852 -0.654 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.351 -21.838 0.417 1.00 0.00 C ATOM 1584 CD2 LEU A 98 127.092 -21.260 -1.267 1.00 0.00 C ATOM 0 H LEU A 98 122.612 -21.782 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 98 123.267 -20.562 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.592 -21.788 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.015 -20.123 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 98 125.899 -19.865 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 98 126.120 -21.886 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.411 -21.514 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 98 125.220 -22.825 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.858 -21.294 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.993 -22.245 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.379 -20.535 -2.029 1.00 0.00 H new ATOM 1596 N HIS A 99 122.638 -18.392 -2.455 1.00 0.00 N ATOM 1597 CA HIS A 99 122.243 -17.019 -2.638 1.00 0.00 C ATOM 1598 C HIS A 99 120.842 -17.015 -3.170 1.00 0.00 C ATOM 1599 O HIS A 99 120.611 -16.877 -4.353 1.00 0.00 O ATOM 1600 CB HIS A 99 123.216 -16.196 -3.524 1.00 0.00 C ATOM 1601 CG HIS A 99 124.065 -15.191 -2.759 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.218 -13.872 -3.143 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.824 -15.325 -1.640 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.017 -13.254 -2.304 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.400 -14.101 -1.385 1.00 0.00 N ATOM 0 H HIS A 99 122.459 -18.987 -3.264 1.00 0.00 H new ATOM 0 HA HIS A 99 122.284 -16.512 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.876 -16.883 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.638 -15.664 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.952 -16.226 -1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 99 125.310 -12.216 -2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 99 126.024 -13.890 -0.606 1.00 0.00 H new ATOM 1614 N SER A 100 119.909 -17.263 -2.276 1.00 0.00 N ATOM 1615 CA SER A 100 118.488 -17.341 -2.621 1.00 0.00 C ATOM 1616 C SER A 100 117.986 -15.998 -3.104 1.00 0.00 C ATOM 1617 O SER A 100 117.091 -15.894 -3.949 1.00 0.00 O ATOM 1618 CB SER A 100 117.702 -17.754 -1.390 1.00 0.00 C ATOM 1619 OG SER A 100 118.197 -18.962 -0.868 1.00 0.00 O ATOM 0 H SER A 100 120.104 -17.418 -1.287 1.00 0.00 H new ATOM 0 HA SER A 100 118.356 -18.073 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.764 -16.972 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.648 -17.867 -1.646 1.00 0.00 H new ATOM 0 HG SER A 100 119.143 -19.058 -1.106 1.00 0.00 H new ATOM 1625 N PHE A 101 118.605 -14.977 -2.593 1.00 0.00 N ATOM 1626 CA PHE A 101 118.220 -13.641 -2.870 1.00 0.00 C ATOM 1627 C PHE A 101 119.202 -13.035 -3.865 1.00 0.00 C ATOM 1628 O PHE A 101 119.284 -11.838 -3.978 1.00 0.00 O ATOM 1629 CB PHE A 101 118.230 -12.843 -1.554 1.00 0.00 C ATOM 1630 CG PHE A 101 117.515 -13.539 -0.413 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.142 -13.503 -0.306 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.234 -14.241 0.549 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.498 -14.150 0.731 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.595 -14.885 1.584 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.225 -14.838 1.673 1.00 0.00 C ATOM 0 H PHE A 101 119.403 -15.058 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 101 117.219 -13.613 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.263 -12.654 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 101 117.764 -11.872 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.563 -12.963 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.311 -14.281 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.421 -14.115 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.168 -15.425 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.719 -15.342 2.483 1.00 0.00 H new ATOM 1645 N ASP A 102 119.933 -13.899 -4.591 1.00 0.00 N ATOM 1646 CA ASP A 102 120.969 -13.492 -5.591 1.00 0.00 C ATOM 1647 C ASP A 102 120.509 -12.362 -6.519 1.00 0.00 C ATOM 1648 O ASP A 102 121.212 -11.359 -6.682 1.00 0.00 O ATOM 1649 CB ASP A 102 121.405 -14.701 -6.432 1.00 0.00 C ATOM 1650 CG ASP A 102 122.436 -14.363 -7.493 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.643 -14.233 -7.160 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.066 -14.245 -8.690 1.00 0.00 O ATOM 0 H ASP A 102 119.830 -14.910 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 102 121.811 -13.109 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.814 -15.465 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.528 -15.133 -6.914 1.00 0.00 H new ATOM 1657 N ALA A 103 119.314 -12.497 -7.070 1.00 0.00 N ATOM 1658 CA ALA A 103 118.771 -11.496 -7.988 1.00 0.00 C ATOM 1659 C ALA A 103 118.439 -10.218 -7.236 1.00 0.00 C ATOM 1660 O ALA A 103 118.563 -9.103 -7.752 1.00 0.00 O ATOM 1661 CB ALA A 103 117.523 -12.030 -8.671 1.00 0.00 C ATOM 0 H ALA A 103 118.696 -13.291 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 103 119.523 -11.277 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.129 -11.275 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.773 -12.930 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.771 -12.269 -7.919 1.00 0.00 H new ATOM 1667 N ALA A 104 118.071 -10.395 -5.998 1.00 0.00 N ATOM 1668 CA ALA A 104 117.678 -9.319 -5.139 1.00 0.00 C ATOM 1669 C ALA A 104 118.901 -8.532 -4.654 1.00 0.00 C ATOM 1670 O ALA A 104 118.793 -7.345 -4.349 1.00 0.00 O ATOM 1671 CB ALA A 104 116.815 -9.853 -4.002 1.00 0.00 C ATOM 0 H ALA A 104 118.036 -11.311 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 104 117.068 -8.609 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.519 -9.030 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.925 -10.328 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.383 -10.584 -3.426 1.00 0.00 H new ATOM 1677 N GLN A 105 120.068 -9.190 -4.608 1.00 0.00 N ATOM 1678 CA GLN A 105 121.328 -8.490 -4.328 1.00 0.00 C ATOM 1679 C GLN A 105 121.572 -7.473 -5.405 1.00 0.00 C ATOM 1680 O GLN A 105 121.847 -6.311 -5.120 1.00 0.00 O ATOM 1681 CB GLN A 105 122.541 -9.436 -4.257 1.00 0.00 C ATOM 1682 CG GLN A 105 122.836 -10.043 -2.905 1.00 0.00 C ATOM 1683 CD GLN A 105 121.774 -10.966 -2.401 1.00 0.00 C ATOM 1684 OE1 GLN A 105 121.829 -12.162 -2.633 1.00 0.00 O ATOM 1685 NE2 GLN A 105 120.801 -10.435 -1.701 1.00 0.00 N ATOM 0 H GLN A 105 120.165 -10.194 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 105 121.223 -8.021 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.386 -10.246 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 105 123.423 -8.887 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.778 -10.588 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 105 122.976 -9.240 -2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 105 120.788 -9.430 -1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 105 120.057 -11.027 -1.331 1.00 0.00 H new ATOM 1694 N SER A 106 121.432 -7.919 -6.638 1.00 0.00 N ATOM 1695 CA SER A 106 121.598 -7.084 -7.797 1.00 0.00 C ATOM 1696 C SER A 106 120.615 -5.907 -7.748 1.00 0.00 C ATOM 1697 O SER A 106 120.998 -4.760 -7.993 1.00 0.00 O ATOM 1698 CB SER A 106 121.367 -7.933 -9.035 1.00 0.00 C ATOM 1699 OG SER A 106 122.144 -9.120 -8.956 1.00 0.00 O ATOM 0 H SER A 106 121.196 -8.886 -6.859 1.00 0.00 H new ATOM 0 HA SER A 106 122.606 -6.671 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.310 -8.184 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.636 -7.370 -9.929 1.00 0.00 H new ATOM 0 HG SER A 106 121.991 -9.665 -9.756 1.00 0.00 H new ATOM 1705 N ARG A 107 119.366 -6.205 -7.371 1.00 0.00 N ATOM 1706 CA ARG A 107 118.315 -5.197 -7.262 1.00 0.00 C ATOM 1707 C ARG A 107 118.670 -4.111 -6.283 1.00 0.00 C ATOM 1708 O ARG A 107 118.610 -2.937 -6.608 1.00 0.00 O ATOM 1709 CB ARG A 107 116.977 -5.824 -6.880 1.00 0.00 C ATOM 1710 CG ARG A 107 116.427 -6.769 -7.923 1.00 0.00 C ATOM 1711 CD ARG A 107 116.336 -6.067 -9.265 1.00 0.00 C ATOM 1712 NE ARG A 107 115.929 -6.949 -10.355 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.520 -6.526 -11.551 1.00 0.00 C ATOM 1714 NH1 ARG A 107 115.381 -5.225 -11.777 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.228 -7.403 -12.503 1.00 0.00 N ATOM 0 H ARG A 107 119.060 -7.149 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 107 118.221 -4.744 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.094 -6.363 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.251 -5.030 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.069 -7.646 -8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.441 -7.123 -7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.625 -5.244 -9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.305 -5.630 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 107 115.960 -7.955 -10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 107 115.587 -4.554 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 107 115.068 -4.897 -12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 107 115.316 -8.403 -12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.915 -7.078 -13.418 1.00 0.00 H new ATOM 1729 N VAL A 108 119.084 -4.500 -5.114 1.00 0.00 N ATOM 1730 CA VAL A 108 119.406 -3.552 -4.078 1.00 0.00 C ATOM 1731 C VAL A 108 120.728 -2.832 -4.353 1.00 0.00 C ATOM 1732 O VAL A 108 120.884 -1.650 -4.025 1.00 0.00 O ATOM 1733 CB VAL A 108 119.372 -4.220 -2.697 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.782 -3.257 -1.611 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.971 -4.720 -2.443 1.00 0.00 C ATOM 0 H VAL A 108 119.209 -5.477 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 108 118.638 -2.778 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 108 120.080 -5.049 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.747 -3.761 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.796 -2.905 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 108 119.099 -2.407 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.927 -5.199 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.275 -3.881 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.697 -5.442 -3.213 1.00 0.00 H new ATOM 1745 N TYR A 109 121.662 -3.524 -4.974 1.00 0.00 N ATOM 1746 CA TYR A 109 122.906 -2.914 -5.391 1.00 0.00 C ATOM 1747 C TYR A 109 122.634 -1.727 -6.336 1.00 0.00 C ATOM 1748 O TYR A 109 123.069 -0.607 -6.067 1.00 0.00 O ATOM 1749 CB TYR A 109 123.845 -3.970 -6.039 1.00 0.00 C ATOM 1750 CG TYR A 109 124.944 -3.389 -6.916 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.691 -3.076 -8.248 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.204 -3.117 -6.413 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.636 -2.506 -9.042 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.179 -2.551 -7.215 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.886 -2.240 -8.527 1.00 0.00 C ATOM 1756 OH TYR A 109 127.843 -1.650 -9.322 1.00 0.00 O ATOM 0 H TYR A 109 121.581 -4.515 -5.201 1.00 0.00 H new ATOM 0 HA TYR A 109 123.418 -2.522 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.305 -4.562 -5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.243 -4.653 -6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.717 -3.292 -8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.429 -3.349 -5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.408 -2.263 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.163 -2.354 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 109 127.594 -0.719 -9.497 1.00 0.00 H new ATOM 1766 N GLN A 110 121.870 -1.970 -7.407 1.00 0.00 N ATOM 1767 CA GLN A 110 121.586 -0.919 -8.391 1.00 0.00 C ATOM 1768 C GLN A 110 120.700 0.143 -7.779 1.00 0.00 C ATOM 1769 O GLN A 110 120.856 1.330 -8.063 1.00 0.00 O ATOM 1770 CB GLN A 110 120.962 -1.480 -9.677 1.00 0.00 C ATOM 1771 CG GLN A 110 119.756 -2.349 -9.429 1.00 0.00 C ATOM 1772 CD GLN A 110 118.991 -2.715 -10.671 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.059 -2.017 -11.075 1.00 0.00 O ATOM 1774 NE2 GLN A 110 119.366 -3.788 -11.287 1.00 0.00 N ATOM 0 H GLN A 110 121.442 -2.873 -7.613 1.00 0.00 H new ATOM 0 HA GLN A 110 122.537 -0.467 -8.674 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.676 -0.651 -10.325 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.713 -2.059 -10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 110 120.078 -3.264 -8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.085 -1.832 -8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 110 120.142 -4.341 -10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.886 -4.082 -12.138 1.00 0.00 H new ATOM 1783 N LEU A 111 119.793 -0.303 -6.917 1.00 0.00 N ATOM 1784 CA LEU A 111 118.914 0.552 -6.153 1.00 0.00 C ATOM 1785 C LEU A 111 119.739 1.593 -5.426 1.00 0.00 C ATOM 1786 O LEU A 111 119.557 2.790 -5.624 1.00 0.00 O ATOM 1787 CB LEU A 111 118.176 -0.305 -5.140 1.00 0.00 C ATOM 1788 CG LEU A 111 117.229 0.383 -4.193 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.021 0.926 -4.937 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.831 -0.585 -3.104 1.00 0.00 C ATOM 0 H LEU A 111 119.651 -1.296 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 111 118.203 1.051 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.612 -1.060 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.920 -0.834 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 111 117.725 1.238 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.351 1.419 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.349 1.644 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.495 0.105 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 111 116.145 -0.094 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 111 116.341 -1.451 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.720 -0.909 -2.563 1.00 0.00 H new ATOM 1802 N MET A 112 120.689 1.129 -4.641 1.00 0.00 N ATOM 1803 CA MET A 112 121.554 2.016 -3.904 1.00 0.00 C ATOM 1804 C MET A 112 122.444 2.810 -4.831 1.00 0.00 C ATOM 1805 O MET A 112 122.673 3.964 -4.591 1.00 0.00 O ATOM 1806 CB MET A 112 122.387 1.274 -2.867 1.00 0.00 C ATOM 1807 CG MET A 112 121.571 0.656 -1.749 1.00 0.00 C ATOM 1808 SD MET A 112 122.593 -0.208 -0.548 1.00 0.00 S ATOM 1809 CE MET A 112 123.356 -1.439 -1.597 1.00 0.00 C ATOM 0 H MET A 112 120.879 0.137 -4.499 1.00 0.00 H new ATOM 0 HA MET A 112 120.908 2.711 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.954 0.488 -3.366 1.00 0.00 H new ATOM 0 HB3 MET A 112 123.111 1.965 -2.435 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.003 1.437 -1.243 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.847 -0.040 -2.173 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.358 -2.402 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.794 -1.523 -2.527 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.382 -1.144 -1.818 1.00 0.00 H new ATOM 1819 N GLU A 113 122.908 2.192 -5.906 1.00 0.00 N ATOM 1820 CA GLU A 113 123.758 2.872 -6.878 1.00 0.00 C ATOM 1821 C GLU A 113 123.040 4.111 -7.477 1.00 0.00 C ATOM 1822 O GLU A 113 123.327 5.252 -7.095 1.00 0.00 O ATOM 1823 CB GLU A 113 124.215 1.891 -7.986 1.00 0.00 C ATOM 1824 CG GLU A 113 125.225 2.473 -8.972 1.00 0.00 C ATOM 1825 CD GLU A 113 125.687 1.472 -10.018 1.00 0.00 C ATOM 1826 OE1 GLU A 113 126.658 0.727 -9.769 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.101 1.427 -11.124 1.00 0.00 O ATOM 0 H GLU A 113 122.711 1.217 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 113 124.649 3.230 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.652 1.010 -7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.338 1.555 -8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.780 3.333 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 113 126.091 2.839 -8.421 1.00 0.00 H new ATOM 1834 N GLN A 114 122.035 3.881 -8.297 1.00 0.00 N ATOM 1835 CA GLN A 114 121.369 4.973 -9.021 1.00 0.00 C ATOM 1836 C GLN A 114 120.515 5.902 -8.142 1.00 0.00 C ATOM 1837 O GLN A 114 119.984 6.905 -8.622 1.00 0.00 O ATOM 1838 CB GLN A 114 120.610 4.454 -10.271 1.00 0.00 C ATOM 1839 CG GLN A 114 119.617 3.300 -10.052 1.00 0.00 C ATOM 1840 CD GLN A 114 118.309 3.679 -9.371 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.342 4.055 -10.031 1.00 0.00 O ATOM 1842 NE2 GLN A 114 118.234 3.527 -8.080 1.00 0.00 N ATOM 0 H GLN A 114 121.654 2.954 -8.486 1.00 0.00 H new ATOM 0 HA GLN A 114 122.174 5.618 -9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 114 120.066 5.291 -10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 114 121.347 4.132 -11.006 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.386 2.854 -11.020 1.00 0.00 H new ATOM 0 HG3 GLN A 114 120.107 2.531 -9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 114 119.051 3.214 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 114 117.359 3.721 -7.594 1.00 0.00 H new ATOM 1851 N ASP A 115 120.404 5.596 -6.869 1.00 0.00 N ATOM 1852 CA ASP A 115 119.610 6.436 -5.970 1.00 0.00 C ATOM 1853 C ASP A 115 120.426 7.016 -4.810 1.00 0.00 C ATOM 1854 O ASP A 115 120.481 8.225 -4.631 1.00 0.00 O ATOM 1855 CB ASP A 115 118.398 5.676 -5.436 1.00 0.00 C ATOM 1856 CG ASP A 115 117.522 6.511 -4.536 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.737 7.353 -5.059 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.542 6.309 -3.308 1.00 0.00 O ATOM 0 H ASP A 115 120.842 4.787 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 115 119.268 7.279 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.805 5.315 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.740 4.799 -4.887 1.00 0.00 H new ATOM 1863 N SER A 116 121.086 6.166 -4.071 1.00 0.00 N ATOM 1864 CA SER A 116 121.771 6.573 -2.856 1.00 0.00 C ATOM 1865 C SER A 116 123.250 6.955 -3.113 1.00 0.00 C ATOM 1866 O SER A 116 123.789 7.842 -2.453 1.00 0.00 O ATOM 1867 CB SER A 116 121.657 5.433 -1.822 1.00 0.00 C ATOM 1868 OG SER A 116 122.200 5.778 -0.569 1.00 0.00 O ATOM 0 H SER A 116 121.169 5.172 -4.286 1.00 0.00 H new ATOM 0 HA SER A 116 121.294 7.473 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 116 120.608 5.165 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.168 4.549 -2.204 1.00 0.00 H new ATOM 0 HG SER A 116 123.003 5.242 -0.402 1.00 0.00 H new ATOM 1874 N TYR A 117 123.873 6.334 -4.110 1.00 0.00 N ATOM 1875 CA TYR A 117 125.293 6.528 -4.399 1.00 0.00 C ATOM 1876 C TYR A 117 125.597 7.953 -4.819 1.00 0.00 C ATOM 1877 O TYR A 117 126.630 8.512 -4.464 1.00 0.00 O ATOM 1878 CB TYR A 117 125.687 5.499 -5.443 1.00 0.00 C ATOM 1879 CG TYR A 117 126.921 5.732 -6.260 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.183 5.465 -5.771 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.801 6.175 -7.567 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.292 5.641 -6.561 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.894 6.344 -8.365 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.139 6.081 -7.870 1.00 0.00 C ATOM 1885 OH TYR A 117 130.231 6.245 -8.690 1.00 0.00 O ATOM 0 H TYR A 117 123.409 5.681 -4.742 1.00 0.00 H new ATOM 0 HA TYR A 117 125.892 6.377 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.804 4.542 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.850 5.393 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.300 5.114 -4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.820 6.391 -7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.277 5.439 -6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.775 6.684 -9.383 1.00 0.00 H new ATOM 0 HH TYR A 117 131.030 5.891 -8.246 1.00 0.00 H new ATOM 1895 N THR A 118 124.675 8.540 -5.521 1.00 0.00 N ATOM 1896 CA THR A 118 124.803 9.912 -5.952 1.00 0.00 C ATOM 1897 C THR A 118 124.764 10.861 -4.736 1.00 0.00 C ATOM 1898 O THR A 118 125.603 11.770 -4.601 1.00 0.00 O ATOM 1899 CB THR A 118 123.679 10.252 -6.952 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.405 9.893 -6.379 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.872 9.493 -8.256 1.00 0.00 C ATOM 0 H THR A 118 123.810 8.087 -5.815 1.00 0.00 H new ATOM 0 HA THR A 118 125.763 10.043 -6.451 1.00 0.00 H new ATOM 0 HB THR A 118 123.710 11.322 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.689 10.110 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 118 123.069 9.747 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.830 9.766 -8.697 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.856 8.421 -8.059 1.00 0.00 H new ATOM 1909 N ARG A 119 123.833 10.581 -3.819 1.00 0.00 N ATOM 1910 CA ARG A 119 123.645 11.378 -2.615 1.00 0.00 C ATOM 1911 C ARG A 119 124.877 11.229 -1.743 1.00 0.00 C ATOM 1912 O ARG A 119 125.369 12.195 -1.152 1.00 0.00 O ATOM 1913 CB ARG A 119 122.404 10.893 -1.864 1.00 0.00 C ATOM 1914 CG ARG A 119 121.895 11.848 -0.803 1.00 0.00 C ATOM 1915 CD ARG A 119 120.673 11.286 -0.107 1.00 0.00 C ATOM 1916 NE ARG A 119 119.920 12.308 0.637 1.00 0.00 N ATOM 1917 CZ ARG A 119 118.911 12.029 1.488 1.00 0.00 C ATOM 1918 NH1 ARG A 119 118.818 10.823 2.046 1.00 0.00 N ATOM 1919 NH2 ARG A 119 118.059 12.984 1.846 1.00 0.00 N ATOM 0 H ARG A 119 123.190 9.793 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 119 123.503 12.427 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 119 121.606 10.713 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.631 9.936 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 119 122.680 12.036 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.649 12.807 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.018 10.826 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.982 10.497 0.579 1.00 0.00 H new ATOM 0 HE ARG A 119 120.176 13.286 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.511 10.106 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 119 118.054 10.616 2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.168 13.929 1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 119 117.296 12.772 2.489 1.00 0.00 H new ATOM 1933 N PHE A 120 125.382 10.005 -1.701 1.00 0.00 N ATOM 1934 CA PHE A 120 126.601 9.681 -1.010 1.00 0.00 C ATOM 1935 C PHE A 120 127.725 10.558 -1.502 1.00 0.00 C ATOM 1936 O PHE A 120 128.388 11.188 -0.709 1.00 0.00 O ATOM 1937 CB PHE A 120 126.946 8.190 -1.184 1.00 0.00 C ATOM 1938 CG PHE A 120 128.323 7.800 -0.702 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.619 7.715 0.651 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.325 7.533 -1.620 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.893 7.366 1.070 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.587 7.191 -1.206 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.873 7.106 0.138 1.00 0.00 C ATOM 0 H PHE A 120 124.943 9.204 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 120 126.460 9.868 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.206 7.595 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.859 7.932 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.852 7.922 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.110 7.595 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.117 7.298 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.357 6.988 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.867 6.835 0.462 1.00 0.00 H new ATOM 1953 N LEU A 121 127.875 10.651 -2.810 1.00 0.00 N ATOM 1954 CA LEU A 121 128.942 11.441 -3.415 1.00 0.00 C ATOM 1955 C LEU A 121 128.851 12.927 -3.067 1.00 0.00 C ATOM 1956 O LEU A 121 129.867 13.626 -3.041 1.00 0.00 O ATOM 1957 CB LEU A 121 128.988 11.243 -4.928 1.00 0.00 C ATOM 1958 CG LEU A 121 129.263 9.815 -5.401 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.331 9.756 -6.917 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.543 9.279 -4.775 1.00 0.00 C ATOM 0 H LEU A 121 127.267 10.186 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 121 129.874 11.072 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.036 11.568 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.758 11.897 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 121 128.438 9.181 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.527 8.731 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.382 10.090 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.132 10.405 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.721 8.262 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.382 9.913 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.444 9.278 -3.689 1.00 0.00 H new ATOM 1972 N LYS A 122 127.656 13.413 -2.813 1.00 0.00 N ATOM 1973 CA LYS A 122 127.491 14.810 -2.430 1.00 0.00 C ATOM 1974 C LYS A 122 127.174 15.011 -0.959 1.00 0.00 C ATOM 1975 O LYS A 122 126.806 16.120 -0.553 1.00 0.00 O ATOM 1976 CB LYS A 122 126.490 15.544 -3.329 1.00 0.00 C ATOM 1977 CG LYS A 122 127.164 16.393 -4.401 1.00 0.00 C ATOM 1978 CD LYS A 122 128.090 15.566 -5.262 1.00 0.00 C ATOM 1979 CE LYS A 122 128.914 16.427 -6.191 1.00 0.00 C ATOM 1980 NZ LYS A 122 129.813 15.600 -7.017 1.00 0.00 N ATOM 0 H LYS A 122 126.791 12.875 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 122 128.470 15.263 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.837 14.814 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.857 16.182 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.404 16.861 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 122 127.727 17.198 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.753 14.982 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 122 127.505 14.857 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.254 17.008 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.500 17.139 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.368 16.214 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 130.456 15.064 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 129.249 14.938 -7.588 1.00 0.00 H new ATOM 1994 N SER A 123 127.316 13.973 -0.155 1.00 0.00 N ATOM 1995 CA SER A 123 127.138 14.130 1.262 1.00 0.00 C ATOM 1996 C SER A 123 128.417 14.715 1.842 1.00 0.00 C ATOM 1997 O SER A 123 129.501 14.575 1.225 1.00 0.00 O ATOM 1998 CB SER A 123 126.846 12.775 1.913 1.00 0.00 C ATOM 1999 OG SER A 123 127.946 11.878 1.774 1.00 0.00 O ATOM 0 H SER A 123 127.551 13.029 -0.461 1.00 0.00 H new ATOM 0 HA SER A 123 126.296 14.793 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.625 12.919 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 123 125.958 12.336 1.458 1.00 0.00 H new ATOM 0 HG SER A 123 127.988 11.552 0.851 1.00 0.00 H new ATOM 2005 N ASP A 124 128.329 15.341 3.024 1.00 0.00 N ATOM 2006 CA ASP A 124 129.523 15.886 3.692 1.00 0.00 C ATOM 2007 C ASP A 124 130.495 14.748 3.954 1.00 0.00 C ATOM 2008 O ASP A 124 131.688 14.954 4.002 1.00 0.00 O ATOM 2009 CB ASP A 124 129.193 16.592 5.033 1.00 0.00 C ATOM 2010 CG ASP A 124 129.036 15.642 6.211 1.00 0.00 C ATOM 2011 OD1 ASP A 124 127.943 15.060 6.390 1.00 0.00 O ATOM 2012 OD2 ASP A 124 130.016 15.452 6.969 1.00 0.00 O ATOM 0 H ASP A 124 127.457 15.482 3.533 1.00 0.00 H new ATOM 0 HA ASP A 124 129.957 16.637 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.984 17.307 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 124 128.272 17.162 4.914 1.00 0.00 H new ATOM 2017 N ILE A 125 129.934 13.552 4.087 1.00 0.00 N ATOM 2018 CA ILE A 125 130.647 12.312 4.275 1.00 0.00 C ATOM 2019 C ILE A 125 131.655 12.064 3.145 1.00 0.00 C ATOM 2020 O ILE A 125 132.869 12.011 3.386 1.00 0.00 O ATOM 2021 CB ILE A 125 129.620 11.141 4.400 1.00 0.00 C ATOM 2022 CG1 ILE A 125 128.991 11.131 5.806 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.188 9.782 3.978 1.00 0.00 C ATOM 2024 CD1 ILE A 125 127.927 10.076 6.019 1.00 0.00 C ATOM 0 H ILE A 125 128.922 13.424 4.064 1.00 0.00 H new ATOM 0 HA ILE A 125 131.226 12.372 5.196 1.00 0.00 H new ATOM 0 HB ILE A 125 128.821 11.327 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 125 129.782 10.983 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 125 128.555 12.111 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.421 9.016 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.505 9.828 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 125 131.043 9.534 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 125 127.543 10.147 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 125 127.112 10.233 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 125 128.358 9.087 5.862 1.00 0.00 H new ATOM 2036 N TYR A 126 131.176 11.952 1.925 1.00 0.00 N ATOM 2037 CA TYR A 126 132.066 11.694 0.810 1.00 0.00 C ATOM 2038 C TYR A 126 132.951 12.894 0.523 1.00 0.00 C ATOM 2039 O TYR A 126 134.129 12.741 0.192 1.00 0.00 O ATOM 2040 CB TYR A 126 131.309 11.261 -0.431 1.00 0.00 C ATOM 2041 CG TYR A 126 132.197 10.924 -1.590 1.00 0.00 C ATOM 2042 CD1 TYR A 126 132.872 9.723 -1.632 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.375 11.812 -2.632 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.699 9.414 -2.670 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.194 11.519 -3.677 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.857 10.327 -3.698 1.00 0.00 C ATOM 2047 OH TYR A 126 134.656 10.035 -4.748 1.00 0.00 O ATOM 0 H TYR A 126 130.189 12.034 1.680 1.00 0.00 H new ATOM 0 HA TYR A 126 132.710 10.864 1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.697 10.392 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.627 12.058 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 126 132.743 9.014 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.854 12.758 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.224 8.470 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.319 12.225 -4.485 1.00 0.00 H new ATOM 0 HH TYR A 126 134.929 9.095 -4.700 1.00 0.00 H new ATOM 2057 N LEU A 127 132.410 14.080 0.700 1.00 0.00 N ATOM 2058 CA LEU A 127 133.174 15.299 0.489 1.00 0.00 C ATOM 2059 C LEU A 127 134.284 15.423 1.549 1.00 0.00 C ATOM 2060 O LEU A 127 135.286 16.093 1.342 1.00 0.00 O ATOM 2061 CB LEU A 127 132.237 16.520 0.482 1.00 0.00 C ATOM 2062 CG LEU A 127 131.104 16.490 -0.562 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.201 17.697 -0.423 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.649 16.399 -1.976 1.00 0.00 C ATOM 0 H LEU A 127 131.444 14.230 0.990 1.00 0.00 H new ATOM 0 HA LEU A 127 133.660 15.257 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.791 16.618 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.837 17.414 0.313 1.00 0.00 H new ATOM 0 HG LEU A 127 130.514 15.594 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.411 17.649 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.757 17.706 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 127 130.784 18.606 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 127 130.821 16.380 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.281 17.264 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.237 15.488 -2.081 1.00 0.00 H new ATOM 2076 N ASP A 128 134.102 14.737 2.666 1.00 0.00 N ATOM 2077 CA ASP A 128 135.099 14.673 3.744 1.00 0.00 C ATOM 2078 C ASP A 128 136.178 13.639 3.411 1.00 0.00 C ATOM 2079 O ASP A 128 137.319 13.762 3.839 1.00 0.00 O ATOM 2080 CB ASP A 128 134.416 14.367 5.087 1.00 0.00 C ATOM 2081 CG ASP A 128 135.355 14.209 6.256 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.069 15.178 6.618 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.390 13.105 6.842 1.00 0.00 O ATOM 0 H ASP A 128 133.255 14.202 2.860 1.00 0.00 H new ATOM 0 HA ASP A 128 135.587 15.643 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.712 15.169 5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 128 133.834 13.452 4.981 1.00 0.00 H new ATOM 2088 N LEU A 129 135.812 12.640 2.599 1.00 0.00 N ATOM 2089 CA LEU A 129 136.783 11.642 2.098 1.00 0.00 C ATOM 2090 C LEU A 129 137.653 12.324 1.045 1.00 0.00 C ATOM 2091 O LEU A 129 138.812 11.982 0.841 1.00 0.00 O ATOM 2092 CB LEU A 129 136.065 10.435 1.461 1.00 0.00 C ATOM 2093 CG LEU A 129 134.991 9.756 2.320 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.195 8.783 1.489 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.621 9.030 3.493 1.00 0.00 C ATOM 0 H LEU A 129 134.857 12.496 2.272 1.00 0.00 H new ATOM 0 HA LEU A 129 137.384 11.274 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.602 10.764 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 129 136.815 9.689 1.198 1.00 0.00 H new ATOM 0 HG LEU A 129 134.325 10.529 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.436 8.308 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 129 133.711 9.315 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 129 134.861 8.021 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 129 134.841 8.556 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.308 8.269 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.167 9.743 4.111 1.00 0.00 H new ATOM 2107 N MET A 130 137.044 13.294 0.370 1.00 0.00 N ATOM 2108 CA MET A 130 137.735 14.149 -0.594 1.00 0.00 C ATOM 2109 C MET A 130 138.625 15.115 0.174 1.00 0.00 C ATOM 2110 O MET A 130 139.678 15.558 -0.314 1.00 0.00 O ATOM 2111 CB MET A 130 136.726 14.993 -1.382 1.00 0.00 C ATOM 2112 CG MET A 130 135.654 14.261 -2.205 1.00 0.00 C ATOM 2113 SD MET A 130 136.273 13.387 -3.654 1.00 0.00 S ATOM 2114 CE MET A 130 137.000 11.929 -2.911 1.00 0.00 C ATOM 0 H MET A 130 136.053 13.511 0.476 1.00 0.00 H new ATOM 0 HA MET A 130 138.307 13.519 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.215 15.647 -0.675 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.287 15.635 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.145 13.546 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.907 14.986 -2.528 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.087 11.996 -2.965 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.692 11.860 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.664 11.041 -3.447 1.00 0.00 H new