USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=34 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 -8:sc= 0.135 USER MOD Set 1.2: A 130 MET CE :methyl 138:sc= -3.26! (180deg=-8.03!) USER MOD Set 2.1: A 47 CYS SG : rot 96:sc= -4.81! USER MOD Set 2.2: A 105 GLN : amide:sc= 0.0841 K(o=-4.7,f=-5.3) USER MOD Set 3.1: A 40 ASN : amide:sc= 1.23 K(o=1.3,f=0.18) USER MOD Set 3.2: A 80 ASN : amide:sc= 0.104 X(o=1.3,f=1.1) USER MOD Set 4.1: A 67 TYR OH : rot -106:sc= -0.282 USER MOD Set 4.2: A 72 GLN : amide:sc= 0.589 K(o=0.31,f=-1.3) USER MOD Set 5.1: A 60 HIS : no HD1:sc= -1.76 K(o=-3.1,f=-1) USER MOD Set 5.2: A 95 GLN : amide:sc= -1.37 K(o=-3.1,f=-5.6!) USER MOD Set 6.1: A 53 SER OG : rot 63:sc= 1.67 USER MOD Set 6.2: A 62 LYS NZ :NH3+ -159:sc= 2.47 (180deg=1.15) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.17) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.043 (180deg=-0.795) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.546 K(o=-0.55,f=-2.7) USER MOD Single : A 29 THR OG1 : rot -172:sc= -1.75! 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 180:sc=-0.00214 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc=-0.00467 (180deg=-0.136) USER MOD Single : A 57 GLN : amide:sc=-0.00124 K(o=-0.0012,f=-0.95) USER MOD Single : A 58 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.15) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= 0.836 (180deg=0.619) USER MOD Single : A 84 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.9!) USER MOD Single : A 85 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= 0.388 (180deg=0.0479) USER MOD Single : A 90 THR OG1 : rot -6:sc= 0.969 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 92 SER OG : rot 86:sc= 0.59 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5!) USER MOD Single : A 100 SER OG : rot -80:sc= 0.957 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -125:sc= 1.27 USER MOD Single : A 110 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.23) USER MOD Single : A 112 MET CE :methyl -178:sc= -1.41 (180deg=-1.46) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 31:sc= 1.2 USER MOD Single : A 118 THR OG1 : rot -59:sc= 1.27 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -94:sc= 0.775 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 140.652 6.162 4.561 1.00 0.00 N ATOM 32 CA VAL A 3 140.841 6.136 3.139 1.00 0.00 C ATOM 33 C VAL A 3 141.479 7.411 2.629 1.00 0.00 C ATOM 34 O VAL A 3 141.061 8.527 2.979 1.00 0.00 O ATOM 35 CB VAL A 3 139.509 5.798 2.383 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.383 6.705 2.818 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.678 5.878 0.876 1.00 0.00 C ATOM 0 HA VAL A 3 141.541 5.329 2.923 1.00 0.00 H new ATOM 0 HB VAL A 3 139.255 4.771 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.475 6.444 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.213 6.586 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.647 7.741 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.732 5.637 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.982 6.887 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.441 5.168 0.557 1.00 0.00 H new ATOM 47 N SER A 4 142.521 7.231 1.869 1.00 0.00 N ATOM 48 CA SER A 4 143.218 8.297 1.225 1.00 0.00 C ATOM 49 C SER A 4 142.288 8.944 0.205 1.00 0.00 C ATOM 50 O SER A 4 141.577 8.235 -0.510 1.00 0.00 O ATOM 51 CB SER A 4 144.462 7.708 0.564 1.00 0.00 C ATOM 52 OG SER A 4 145.222 6.973 1.525 1.00 0.00 O ATOM 0 H SER A 4 142.917 6.311 1.678 1.00 0.00 H new ATOM 0 HA SER A 4 143.526 9.067 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.172 7.055 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.071 8.506 0.139 1.00 0.00 H new ATOM 0 HG SER A 4 146.018 6.596 1.094 1.00 0.00 H new ATOM 58 N PRO A 5 142.236 10.290 0.171 1.00 0.00 N ATOM 59 CA PRO A 5 141.369 11.055 -0.733 1.00 0.00 C ATOM 60 C PRO A 5 141.378 10.549 -2.176 1.00 0.00 C ATOM 61 O PRO A 5 140.334 10.511 -2.818 1.00 0.00 O ATOM 62 CB PRO A 5 141.912 12.492 -0.657 1.00 0.00 C ATOM 63 CG PRO A 5 143.118 12.432 0.226 1.00 0.00 C ATOM 64 CD PRO A 5 142.992 11.187 1.048 1.00 0.00 C ATOM 0 HA PRO A 5 140.327 10.965 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.172 12.863 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.163 13.171 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.031 12.412 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.173 13.313 0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 5 143.967 10.773 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 5 142.467 11.373 1.985 1.00 0.00 H new ATOM 72 N GLU A 6 142.526 10.093 -2.669 1.00 0.00 N ATOM 73 CA GLU A 6 142.571 9.623 -4.052 1.00 0.00 C ATOM 74 C GLU A 6 141.898 8.257 -4.186 1.00 0.00 C ATOM 75 O GLU A 6 141.279 7.953 -5.201 1.00 0.00 O ATOM 76 CB GLU A 6 143.974 9.547 -4.620 1.00 0.00 C ATOM 77 CG GLU A 6 143.953 9.267 -6.111 1.00 0.00 C ATOM 78 CD GLU A 6 145.284 8.993 -6.698 1.00 0.00 C ATOM 79 OE1 GLU A 6 146.078 9.928 -6.859 1.00 0.00 O ATOM 80 OE2 GLU A 6 145.558 7.825 -7.035 1.00 0.00 O ATOM 0 H GLU A 6 143.406 10.039 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 6 142.026 10.368 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.496 10.485 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.533 8.763 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 6 143.303 8.413 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 6 143.512 10.122 -6.623 1.00 0.00 H new ATOM 87 N GLU A 7 142.003 7.449 -3.157 1.00 0.00 N ATOM 88 CA GLU A 7 141.378 6.144 -3.162 1.00 0.00 C ATOM 89 C GLU A 7 139.872 6.363 -3.094 1.00 0.00 C ATOM 90 O GLU A 7 139.085 5.659 -3.731 1.00 0.00 O ATOM 91 CB GLU A 7 141.849 5.318 -1.953 1.00 0.00 C ATOM 92 CG GLU A 7 141.450 3.858 -1.998 1.00 0.00 C ATOM 93 CD GLU A 7 142.150 3.133 -3.112 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.672 3.167 -4.258 1.00 0.00 O ATOM 95 OE2 GLU A 7 143.202 2.528 -2.868 1.00 0.00 O ATOM 0 H GLU A 7 142.516 7.671 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 7 141.649 5.594 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.935 5.383 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.445 5.764 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.690 3.384 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.371 3.778 -2.131 1.00 0.00 H new ATOM 102 N ALA A 8 139.504 7.389 -2.355 1.00 0.00 N ATOM 103 CA ALA A 8 138.135 7.781 -2.191 1.00 0.00 C ATOM 104 C ALA A 8 137.557 8.368 -3.493 1.00 0.00 C ATOM 105 O ALA A 8 136.454 8.013 -3.878 1.00 0.00 O ATOM 106 CB ALA A 8 137.992 8.731 -1.005 1.00 0.00 C ATOM 0 H ALA A 8 140.164 7.978 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 8 137.543 6.893 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 8 136.947 9.019 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.329 8.232 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.598 9.621 -1.177 1.00 0.00 H new ATOM 112 N VAL A 9 138.305 9.250 -4.196 1.00 0.00 N ATOM 113 CA VAL A 9 137.812 9.785 -5.497 1.00 0.00 C ATOM 114 C VAL A 9 137.697 8.659 -6.505 1.00 0.00 C ATOM 115 O VAL A 9 136.852 8.683 -7.406 1.00 0.00 O ATOM 116 CB VAL A 9 138.694 10.932 -6.133 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.833 12.125 -5.226 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.059 10.443 -6.586 1.00 0.00 C ATOM 0 H VAL A 9 139.218 9.599 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 9 136.845 10.232 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 9 138.150 11.252 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.448 12.882 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.847 12.539 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.305 11.819 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.620 11.274 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.603 10.040 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.935 9.663 -7.338 1.00 0.00 H new ATOM 128 N LYS A 10 138.525 7.649 -6.311 1.00 0.00 N ATOM 129 CA LYS A 10 138.588 6.509 -7.182 1.00 0.00 C ATOM 130 C LYS A 10 137.308 5.660 -7.012 1.00 0.00 C ATOM 131 O LYS A 10 136.963 4.885 -7.881 1.00 0.00 O ATOM 132 CB LYS A 10 139.852 5.699 -6.855 1.00 0.00 C ATOM 133 CG LYS A 10 140.542 5.051 -8.045 1.00 0.00 C ATOM 134 CD LYS A 10 141.131 6.100 -9.002 1.00 0.00 C ATOM 135 CE LYS A 10 142.245 6.957 -8.360 1.00 0.00 C ATOM 136 NZ LYS A 10 143.464 6.178 -7.993 1.00 0.00 N ATOM 0 H LYS A 10 139.179 7.605 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 10 138.643 6.826 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 10 140.565 6.357 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 10 139.587 4.918 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 10 141.337 4.394 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 10 139.829 4.427 -8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 10 141.532 5.595 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 10 140.332 6.756 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.526 7.750 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.850 7.440 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 144.200 6.827 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 143.227 5.494 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 143.816 5.670 -8.829 1.00 0.00 H new ATOM 150 N TRP A 11 136.620 5.841 -5.873 1.00 0.00 N ATOM 151 CA TRP A 11 135.325 5.198 -5.584 1.00 0.00 C ATOM 152 C TRP A 11 134.213 5.876 -6.345 1.00 0.00 C ATOM 153 O TRP A 11 133.206 5.247 -6.671 1.00 0.00 O ATOM 154 CB TRP A 11 134.954 5.315 -4.094 1.00 0.00 C ATOM 155 CG TRP A 11 135.805 4.561 -3.141 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.681 3.571 -3.429 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.814 4.712 -1.718 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.274 3.121 -2.286 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.749 3.800 -1.216 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.124 5.546 -0.816 1.00 0.00 C ATOM 161 CZ2 TRP A 11 137.016 3.689 0.138 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.387 5.425 0.536 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.325 4.503 0.995 1.00 0.00 C ATOM 0 H TRP A 11 136.949 6.443 -5.119 1.00 0.00 H new ATOM 0 HA TRP A 11 135.433 4.153 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.982 6.369 -3.817 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.924 4.980 -3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.882 3.192 -4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.991 2.397 -2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.403 6.266 -1.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.746 2.983 0.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.861 6.050 1.242 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.512 4.428 2.056 1.00 0.00 H new ATOM 174 N GLY A 12 134.434 7.141 -6.695 1.00 0.00 N ATOM 175 CA GLY A 12 133.397 8.006 -7.255 1.00 0.00 C ATOM 176 C GLY A 12 133.148 7.781 -8.723 1.00 0.00 C ATOM 177 O GLY A 12 132.783 8.707 -9.457 1.00 0.00 O ATOM 0 H GLY A 12 135.341 7.597 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.468 7.844 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.681 9.047 -7.099 1.00 0.00 H new ATOM 181 N GLU A 13 133.387 6.585 -9.146 1.00 0.00 N ATOM 182 CA GLU A 13 133.130 6.171 -10.493 1.00 0.00 C ATOM 183 C GLU A 13 132.575 4.737 -10.543 1.00 0.00 C ATOM 184 O GLU A 13 132.158 4.261 -11.603 1.00 0.00 O ATOM 185 CB GLU A 13 134.392 6.316 -11.340 1.00 0.00 C ATOM 186 CG GLU A 13 135.622 5.672 -10.731 1.00 0.00 C ATOM 187 CD GLU A 13 136.840 5.860 -11.578 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.453 6.946 -11.537 1.00 0.00 O ATOM 189 OE2 GLU A 13 137.190 4.941 -12.327 1.00 0.00 O ATOM 0 H GLU A 13 133.775 5.849 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 13 132.363 6.822 -10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.212 5.875 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.591 7.376 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.800 6.097 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.440 4.606 -10.592 1.00 0.00 H new ATOM 196 N SER A 14 132.553 4.044 -9.405 1.00 0.00 N ATOM 197 CA SER A 14 132.057 2.677 -9.349 1.00 0.00 C ATOM 198 C SER A 14 131.542 2.335 -7.942 1.00 0.00 C ATOM 199 O SER A 14 132.322 2.130 -7.003 1.00 0.00 O ATOM 200 CB SER A 14 133.147 1.678 -9.782 1.00 0.00 C ATOM 201 OG SER A 14 133.606 1.955 -11.101 1.00 0.00 O ATOM 0 H SER A 14 132.875 4.411 -8.509 1.00 0.00 H new ATOM 0 HA SER A 14 131.223 2.597 -10.046 1.00 0.00 H new ATOM 0 HB2 SER A 14 133.984 1.725 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 14 132.752 0.663 -9.737 1.00 0.00 H new ATOM 0 HG SER A 14 134.298 1.307 -11.349 1.00 0.00 H new ATOM 207 N PHE A 15 130.239 2.267 -7.811 1.00 0.00 N ATOM 208 CA PHE A 15 129.584 1.965 -6.544 1.00 0.00 C ATOM 209 C PHE A 15 129.975 0.566 -6.044 1.00 0.00 C ATOM 210 O PHE A 15 130.039 0.324 -4.843 1.00 0.00 O ATOM 211 CB PHE A 15 128.069 2.097 -6.716 1.00 0.00 C ATOM 212 CG PHE A 15 127.261 1.912 -5.467 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.485 2.696 -4.359 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.257 0.980 -5.416 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.722 2.555 -3.228 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.498 0.829 -4.289 1.00 0.00 C ATOM 217 CZ PHE A 15 125.732 1.622 -3.192 1.00 0.00 C ATOM 0 H PHE A 15 129.590 2.420 -8.583 1.00 0.00 H new ATOM 0 HA PHE A 15 129.914 2.677 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.852 3.083 -7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.739 1.365 -7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.274 3.434 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.063 0.357 -6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.906 3.183 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.714 0.086 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.131 1.505 -2.302 1.00 0.00 H new ATOM 227 N ASP A 16 130.276 -0.327 -6.973 1.00 0.00 N ATOM 228 CA ASP A 16 130.718 -1.680 -6.634 1.00 0.00 C ATOM 229 C ASP A 16 132.009 -1.645 -5.845 1.00 0.00 C ATOM 230 O ASP A 16 132.143 -2.325 -4.833 1.00 0.00 O ATOM 231 CB ASP A 16 130.916 -2.537 -7.891 1.00 0.00 C ATOM 232 CG ASP A 16 131.383 -3.946 -7.559 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.541 -4.792 -7.203 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.602 -4.233 -7.646 1.00 0.00 O ATOM 0 H ASP A 16 130.223 -0.142 -7.975 1.00 0.00 H new ATOM 0 HA ASP A 16 129.934 -2.129 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.979 -2.588 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.646 -2.058 -8.543 1.00 0.00 H new ATOM 239 N LYS A 17 132.938 -0.788 -6.261 1.00 0.00 N ATOM 240 CA LYS A 17 134.236 -0.738 -5.609 1.00 0.00 C ATOM 241 C LYS A 17 134.107 0.008 -4.294 1.00 0.00 C ATOM 242 O LYS A 17 134.950 -0.120 -3.411 1.00 0.00 O ATOM 243 CB LYS A 17 135.307 -0.089 -6.504 1.00 0.00 C ATOM 244 CG LYS A 17 135.248 1.426 -6.575 1.00 0.00 C ATOM 245 CD LYS A 17 136.201 1.995 -7.600 1.00 0.00 C ATOM 246 CE LYS A 17 137.629 1.532 -7.396 1.00 0.00 C ATOM 247 NZ LYS A 17 138.527 2.163 -8.372 1.00 0.00 N ATOM 0 H LYS A 17 132.817 -0.132 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 17 134.564 -1.760 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 17 136.291 -0.383 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 17 135.208 -0.490 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 17 134.231 1.736 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 17 135.483 1.842 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 17 135.869 1.706 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 17 136.167 3.084 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 17 137.954 1.777 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.682 0.448 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.482 2.237 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.560 1.586 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.175 3.114 -8.604 1.00 0.00 H new ATOM 261 N LEU A 18 133.047 0.801 -4.184 1.00 0.00 N ATOM 262 CA LEU A 18 132.743 1.498 -2.956 1.00 0.00 C ATOM 263 C LEU A 18 132.471 0.491 -1.843 1.00 0.00 C ATOM 264 O LEU A 18 133.130 0.519 -0.814 1.00 0.00 O ATOM 265 CB LEU A 18 131.539 2.435 -3.134 1.00 0.00 C ATOM 266 CG LEU A 18 131.071 3.177 -1.877 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.136 4.118 -1.376 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.795 3.929 -2.147 1.00 0.00 C ATOM 0 H LEU A 18 132.384 0.973 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 18 133.604 2.108 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 18 131.789 3.174 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.703 1.851 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 18 130.880 2.434 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.778 4.631 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 18 133.036 3.553 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.366 4.852 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.480 4.448 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 18 129.962 4.655 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.018 3.229 -2.452 1.00 0.00 H new ATOM 280 N LEU A 19 131.539 -0.432 -2.073 1.00 0.00 N ATOM 281 CA LEU A 19 131.206 -1.406 -1.044 1.00 0.00 C ATOM 282 C LEU A 19 132.242 -2.515 -0.961 1.00 0.00 C ATOM 283 O LEU A 19 132.398 -3.156 0.085 1.00 0.00 O ATOM 284 CB LEU A 19 129.813 -2.037 -1.199 1.00 0.00 C ATOM 285 CG LEU A 19 128.569 -1.128 -1.193 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.743 0.146 -0.382 1.00 0.00 C ATOM 287 CD2 LEU A 19 128.031 -0.886 -2.583 1.00 0.00 C ATOM 0 H LEU A 19 131.014 -0.523 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 19 131.201 -0.828 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.808 -2.593 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.691 -2.764 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 19 127.798 -1.685 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.826 0.733 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.961 -0.110 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 19 129.567 0.729 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 19 127.155 -0.240 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 19 128.797 -0.406 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.752 -1.837 -3.036 1.00 0.00 H new ATOM 299 N SER A 20 132.959 -2.741 -2.049 1.00 0.00 N ATOM 300 CA SER A 20 133.972 -3.778 -2.088 1.00 0.00 C ATOM 301 C SER A 20 135.176 -3.370 -1.206 1.00 0.00 C ATOM 302 O SER A 20 136.000 -4.213 -0.810 1.00 0.00 O ATOM 303 CB SER A 20 134.397 -4.052 -3.545 1.00 0.00 C ATOM 304 OG SER A 20 135.085 -5.294 -3.678 1.00 0.00 O ATOM 0 H SER A 20 132.857 -2.218 -2.919 1.00 0.00 H new ATOM 0 HA SER A 20 133.561 -4.704 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 20 133.515 -4.056 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 20 135.039 -3.243 -3.893 1.00 0.00 H new ATOM 0 HG SER A 20 135.335 -5.430 -4.616 1.00 0.00 H new ATOM 310 N HIS A 21 135.237 -2.091 -0.871 1.00 0.00 N ATOM 311 CA HIS A 21 136.252 -1.566 -0.001 1.00 0.00 C ATOM 312 C HIS A 21 135.533 -1.363 1.314 1.00 0.00 C ATOM 313 O HIS A 21 134.559 -0.625 1.349 1.00 0.00 O ATOM 314 CB HIS A 21 136.733 -0.194 -0.527 1.00 0.00 C ATOM 315 CG HIS A 21 138.200 0.138 -0.304 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.679 0.896 0.752 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.287 -0.123 -1.076 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.978 1.087 0.603 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.362 0.477 -0.489 1.00 0.00 N ATOM 0 H HIS A 21 134.574 -1.391 -1.203 1.00 0.00 H new ATOM 0 HA HIS A 21 137.121 -2.220 0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.531 -0.148 -1.597 1.00 0.00 H new ATOM 0 HB3 HIS A 21 136.131 0.583 -0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.298 -0.701 -1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.614 1.651 1.269 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.317 0.454 -0.846 1.00 0.00 H new ATOM 328 N ARG A 22 135.980 -1.987 2.387 1.00 0.00 N ATOM 329 CA ARG A 22 135.243 -1.889 3.671 1.00 0.00 C ATOM 330 C ARG A 22 135.134 -0.466 4.176 1.00 0.00 C ATOM 331 O ARG A 22 134.173 -0.116 4.826 1.00 0.00 O ATOM 332 CB ARG A 22 135.721 -2.857 4.788 1.00 0.00 C ATOM 333 CG ARG A 22 137.220 -2.983 4.978 1.00 0.00 C ATOM 334 CD ARG A 22 137.764 -4.090 4.108 1.00 0.00 C ATOM 335 NE ARG A 22 139.218 -4.209 4.148 1.00 0.00 N ATOM 336 CZ ARG A 22 139.906 -5.050 3.367 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.254 -5.807 2.480 1.00 0.00 N ATOM 338 NH2 ARG A 22 141.227 -5.114 3.442 1.00 0.00 N ATOM 0 H ARG A 22 136.825 -2.557 2.416 1.00 0.00 H new ATOM 0 HA ARG A 22 134.241 -2.232 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 22 135.284 -2.531 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.320 -3.848 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 22 137.706 -2.040 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 22 137.445 -3.189 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.322 -5.036 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.451 -3.918 3.078 1.00 0.00 H new ATOM 0 HE ARG A 22 139.735 -3.623 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 22 138.239 -5.741 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 22 139.771 -6.451 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 22 141.730 -4.519 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 22 141.741 -5.759 2.842 1.00 0.00 H new ATOM 352 N ASP A 23 136.102 0.359 3.822 1.00 0.00 N ATOM 353 CA ASP A 23 136.080 1.775 4.197 1.00 0.00 C ATOM 354 C ASP A 23 134.944 2.483 3.494 1.00 0.00 C ATOM 355 O ASP A 23 134.351 3.391 4.032 1.00 0.00 O ATOM 356 CB ASP A 23 137.381 2.474 3.818 1.00 0.00 C ATOM 357 CG ASP A 23 138.588 1.795 4.360 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.913 1.969 5.541 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.227 1.055 3.606 1.00 0.00 O ATOM 0 H ASP A 23 136.917 0.080 3.275 1.00 0.00 H new ATOM 0 HA ASP A 23 135.950 1.819 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.457 2.524 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.354 3.501 4.183 1.00 0.00 H new ATOM 364 N GLY A 24 134.629 2.036 2.289 1.00 0.00 N ATOM 365 CA GLY A 24 133.595 2.673 1.511 1.00 0.00 C ATOM 366 C GLY A 24 132.264 2.150 1.869 1.00 0.00 C ATOM 367 O GLY A 24 131.296 2.885 1.924 1.00 0.00 O ATOM 0 H GLY A 24 135.075 1.239 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.623 3.750 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.781 2.508 0.450 1.00 0.00 H new ATOM 371 N LEU A 25 132.222 0.873 2.111 1.00 0.00 N ATOM 372 CA LEU A 25 131.050 0.211 2.608 1.00 0.00 C ATOM 373 C LEU A 25 130.620 0.823 3.945 1.00 0.00 C ATOM 374 O LEU A 25 129.430 0.955 4.239 1.00 0.00 O ATOM 375 CB LEU A 25 131.338 -1.308 2.682 1.00 0.00 C ATOM 376 CG LEU A 25 130.573 -2.153 3.700 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.408 -3.562 3.156 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.380 -2.223 5.000 1.00 0.00 C ATOM 0 H LEU A 25 133.016 0.250 1.966 1.00 0.00 H new ATOM 0 HA LEU A 25 130.204 0.352 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.148 -1.729 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.402 -1.433 2.882 1.00 0.00 H new ATOM 0 HG LEU A 25 129.596 -1.706 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.863 -4.169 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.853 -3.527 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.390 -4.001 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.840 -2.825 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.351 -2.678 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.524 -1.217 5.393 1.00 0.00 H new ATOM 390 N GLU A 26 131.598 1.236 4.712 1.00 0.00 N ATOM 391 CA GLU A 26 131.366 1.844 5.979 1.00 0.00 C ATOM 392 C GLU A 26 131.116 3.360 5.788 1.00 0.00 C ATOM 393 O GLU A 26 130.347 3.956 6.527 1.00 0.00 O ATOM 394 CB GLU A 26 132.543 1.497 6.893 1.00 0.00 C ATOM 395 CG GLU A 26 132.321 1.618 8.408 1.00 0.00 C ATOM 396 CD GLU A 26 132.474 3.004 8.971 1.00 0.00 C ATOM 397 OE1 GLU A 26 133.623 3.467 9.114 1.00 0.00 O ATOM 398 OE2 GLU A 26 131.476 3.626 9.369 1.00 0.00 O ATOM 0 H GLU A 26 132.584 1.154 4.463 1.00 0.00 H new ATOM 0 HA GLU A 26 130.467 1.464 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.846 0.472 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.380 2.140 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 26 131.319 1.257 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 133.024 0.958 8.916 1.00 0.00 H new ATOM 405 N ALA A 27 131.721 3.973 4.751 1.00 0.00 N ATOM 406 CA ALA A 27 131.404 5.383 4.440 1.00 0.00 C ATOM 407 C ALA A 27 129.933 5.472 4.027 1.00 0.00 C ATOM 408 O ALA A 27 129.156 6.299 4.542 1.00 0.00 O ATOM 409 CB ALA A 27 132.290 5.956 3.297 1.00 0.00 C ATOM 0 H ALA A 27 132.406 3.536 4.135 1.00 0.00 H new ATOM 0 HA ALA A 27 131.603 5.976 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.015 6.994 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.339 5.905 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.137 5.371 2.390 1.00 0.00 H new ATOM 415 N PHE A 28 129.546 4.571 3.140 1.00 0.00 N ATOM 416 CA PHE A 28 128.212 4.541 2.603 1.00 0.00 C ATOM 417 C PHE A 28 127.206 4.118 3.654 1.00 0.00 C ATOM 418 O PHE A 28 126.091 4.607 3.650 1.00 0.00 O ATOM 419 CB PHE A 28 128.131 3.632 1.367 1.00 0.00 C ATOM 420 CG PHE A 28 126.812 3.712 0.633 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.531 4.793 -0.178 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.862 2.713 0.757 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.333 4.883 -0.853 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.659 2.796 0.082 1.00 0.00 C ATOM 425 CZ PHE A 28 124.395 3.885 -0.724 1.00 0.00 C ATOM 0 H PHE A 28 130.157 3.840 2.776 1.00 0.00 H new ATOM 0 HA PHE A 28 127.961 5.554 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.935 3.897 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.302 2.601 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.262 5.581 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.063 1.860 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.131 5.737 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.926 2.010 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.455 3.953 -1.252 1.00 0.00 H new ATOM 435 N THR A 29 127.594 3.229 4.569 1.00 0.00 N ATOM 436 CA THR A 29 126.666 2.812 5.594 1.00 0.00 C ATOM 437 C THR A 29 126.329 3.987 6.522 1.00 0.00 C ATOM 438 O THR A 29 125.197 4.137 6.905 1.00 0.00 O ATOM 439 CB THR A 29 127.108 1.530 6.400 1.00 0.00 C ATOM 440 OG1 THR A 29 126.014 1.039 7.181 1.00 0.00 O ATOM 441 CG2 THR A 29 128.254 1.816 7.344 1.00 0.00 C ATOM 0 H THR A 29 128.518 2.800 4.614 1.00 0.00 H new ATOM 0 HA THR A 29 125.761 2.501 5.072 1.00 0.00 H new ATOM 0 HB THR A 29 127.429 0.794 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.329 0.323 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.523 0.904 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.114 2.171 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.953 2.579 8.061 1.00 0.00 H new ATOM 449 N ARG A 30 127.309 4.875 6.807 1.00 0.00 N ATOM 450 CA ARG A 30 127.042 6.057 7.652 1.00 0.00 C ATOM 451 C ARG A 30 125.983 6.912 6.981 1.00 0.00 C ATOM 452 O ARG A 30 125.010 7.353 7.614 1.00 0.00 O ATOM 453 CB ARG A 30 128.304 6.898 7.874 1.00 0.00 C ATOM 454 CG ARG A 30 129.447 6.151 8.516 1.00 0.00 C ATOM 455 CD ARG A 30 130.636 7.057 8.739 1.00 0.00 C ATOM 456 NE ARG A 30 131.820 6.307 9.161 1.00 0.00 N ATOM 457 CZ ARG A 30 132.990 6.843 9.532 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.111 8.160 9.711 1.00 0.00 N ATOM 459 NH2 ARG A 30 134.028 6.058 9.744 1.00 0.00 N ATOM 0 H ARG A 30 128.269 4.798 6.472 1.00 0.00 H new ATOM 0 HA ARG A 30 126.699 5.707 8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.637 7.291 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.050 7.755 8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.122 5.732 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.739 5.313 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 30 130.858 7.599 7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.389 7.802 9.496 1.00 0.00 H new ATOM 0 HE ARG A 30 131.748 5.290 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.307 8.770 9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.007 8.556 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 30 133.937 5.049 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 30 134.922 6.460 10.027 1.00 0.00 H new ATOM 473 N PHE A 31 126.160 7.092 5.685 1.00 0.00 N ATOM 474 CA PHE A 31 125.216 7.816 4.868 1.00 0.00 C ATOM 475 C PHE A 31 123.852 7.104 4.832 1.00 0.00 C ATOM 476 O PHE A 31 122.806 7.722 4.977 1.00 0.00 O ATOM 477 CB PHE A 31 125.764 7.983 3.439 1.00 0.00 C ATOM 478 CG PHE A 31 124.744 8.512 2.482 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.424 9.851 2.463 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.071 7.651 1.627 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.461 10.326 1.611 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.103 8.120 0.782 1.00 0.00 C ATOM 483 CZ PHE A 31 122.797 9.457 0.772 1.00 0.00 C ATOM 0 H PHE A 31 126.967 6.737 5.172 1.00 0.00 H new ATOM 0 HA PHE A 31 125.073 8.801 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.619 8.658 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.127 7.020 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 31 124.936 10.533 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.314 6.599 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.223 11.379 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.581 7.440 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.034 9.830 0.105 1.00 0.00 H new ATOM 493 N LEU A 32 123.876 5.822 4.659 1.00 0.00 N ATOM 494 CA LEU A 32 122.665 5.067 4.518 1.00 0.00 C ATOM 495 C LEU A 32 121.909 4.989 5.862 1.00 0.00 C ATOM 496 O LEU A 32 120.687 4.863 5.894 1.00 0.00 O ATOM 497 CB LEU A 32 123.001 3.689 3.951 1.00 0.00 C ATOM 498 CG LEU A 32 121.890 2.988 3.190 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.425 3.847 2.019 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.373 1.646 2.686 1.00 0.00 C ATOM 0 H LEU A 32 124.730 5.267 4.611 1.00 0.00 H new ATOM 0 HA LEU A 32 121.993 5.565 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.859 3.792 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.311 3.046 4.775 1.00 0.00 H new ATOM 0 HG LEU A 32 121.049 2.833 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.628 3.331 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.052 4.801 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.261 4.024 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.569 1.151 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.225 1.792 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.674 1.027 3.531 1.00 0.00 H new ATOM 512 N LYS A 33 122.647 5.103 6.957 1.00 0.00 N ATOM 513 CA LYS A 33 122.075 5.138 8.300 1.00 0.00 C ATOM 514 C LYS A 33 121.427 6.493 8.580 1.00 0.00 C ATOM 515 O LYS A 33 120.298 6.548 9.053 1.00 0.00 O ATOM 516 CB LYS A 33 123.140 4.836 9.368 1.00 0.00 C ATOM 517 CG LYS A 33 123.656 3.404 9.364 1.00 0.00 C ATOM 518 CD LYS A 33 124.869 3.253 10.268 1.00 0.00 C ATOM 519 CE LYS A 33 125.423 1.843 10.222 1.00 0.00 C ATOM 520 NZ LYS A 33 126.700 1.717 10.965 1.00 0.00 N ATOM 0 H LYS A 33 123.664 5.174 6.941 1.00 0.00 H new ATOM 0 HA LYS A 33 121.309 4.364 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 33 123.983 5.512 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.722 5.054 10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 33 122.866 2.729 9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 33 123.919 3.112 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.642 3.959 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.594 3.504 11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 33 124.691 1.153 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 33 125.578 1.549 9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 127.041 0.736 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 127.408 2.355 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 126.548 1.971 11.962 1.00 0.00 H new ATOM 534 N THR A 34 122.128 7.578 8.240 1.00 0.00 N ATOM 535 CA THR A 34 121.632 8.944 8.481 1.00 0.00 C ATOM 536 C THR A 34 120.369 9.227 7.625 1.00 0.00 C ATOM 537 O THR A 34 119.499 10.028 7.997 1.00 0.00 O ATOM 538 CB THR A 34 122.758 10.019 8.192 1.00 0.00 C ATOM 539 OG1 THR A 34 122.358 11.317 8.639 1.00 0.00 O ATOM 540 CG2 THR A 34 123.094 10.104 6.713 1.00 0.00 C ATOM 0 H THR A 34 123.045 7.541 7.795 1.00 0.00 H new ATOM 0 HA THR A 34 121.358 9.021 9.533 1.00 0.00 H new ATOM 0 HB THR A 34 123.641 9.692 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.071 11.962 8.450 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.871 10.853 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.451 9.135 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.202 10.385 6.153 1.00 0.00 H new ATOM 548 N GLU A 35 120.292 8.549 6.501 1.00 0.00 N ATOM 549 CA GLU A 35 119.198 8.649 5.560 1.00 0.00 C ATOM 550 C GLU A 35 118.098 7.611 5.917 1.00 0.00 C ATOM 551 O GLU A 35 116.954 7.696 5.460 1.00 0.00 O ATOM 552 CB GLU A 35 119.804 8.395 4.171 1.00 0.00 C ATOM 553 CG GLU A 35 118.839 8.290 3.009 1.00 0.00 C ATOM 554 CD GLU A 35 118.205 9.612 2.644 1.00 0.00 C ATOM 555 OE1 GLU A 35 117.141 9.953 3.184 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.752 10.323 1.778 1.00 0.00 O ATOM 0 H GLU A 35 121.014 7.891 6.207 1.00 0.00 H new ATOM 0 HA GLU A 35 118.718 9.627 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 35 120.507 9.200 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 35 120.381 7.471 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 35 119.367 7.895 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 35 118.055 7.575 3.259 1.00 0.00 H new ATOM 563 N PHE A 36 118.469 6.672 6.781 1.00 0.00 N ATOM 564 CA PHE A 36 117.612 5.582 7.250 1.00 0.00 C ATOM 565 C PHE A 36 117.127 4.690 6.120 1.00 0.00 C ATOM 566 O PHE A 36 115.940 4.654 5.775 1.00 0.00 O ATOM 567 CB PHE A 36 116.461 6.064 8.154 1.00 0.00 C ATOM 568 CG PHE A 36 116.939 6.679 9.438 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.146 5.893 10.555 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.200 8.034 9.523 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.603 6.446 11.730 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.660 8.592 10.696 1.00 0.00 C ATOM 573 CZ PHE A 36 117.861 7.798 11.802 1.00 0.00 C ATOM 0 H PHE A 36 119.404 6.645 7.189 1.00 0.00 H new ATOM 0 HA PHE A 36 118.247 4.961 7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.861 6.793 7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.809 5.221 8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 36 116.947 4.833 10.506 1.00 0.00 H new ATOM 0 HD2 PHE A 36 117.041 8.663 8.659 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.759 5.820 12.596 1.00 0.00 H new ATOM 0 HE2 PHE A 36 117.863 9.652 10.747 1.00 0.00 H new ATOM 0 HZ PHE A 36 118.220 8.233 12.723 1.00 0.00 H new ATOM 583 N SER A 37 118.069 4.059 5.479 1.00 0.00 N ATOM 584 CA SER A 37 117.816 3.101 4.424 1.00 0.00 C ATOM 585 C SER A 37 118.924 2.041 4.464 1.00 0.00 C ATOM 586 O SER A 37 119.199 1.351 3.465 1.00 0.00 O ATOM 587 CB SER A 37 117.834 3.820 3.068 1.00 0.00 C ATOM 588 OG SER A 37 116.916 4.911 3.049 1.00 0.00 O ATOM 0 H SER A 37 119.061 4.195 5.675 1.00 0.00 H new ATOM 0 HA SER A 37 116.842 2.630 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.840 4.185 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.581 3.115 2.276 1.00 0.00 H new ATOM 0 HG SER A 37 116.950 5.352 2.174 1.00 0.00 H new ATOM 594 N GLU A 38 119.504 1.868 5.645 1.00 0.00 N ATOM 595 CA GLU A 38 120.673 1.016 5.842 1.00 0.00 C ATOM 596 C GLU A 38 120.363 -0.471 5.660 1.00 0.00 C ATOM 597 O GLU A 38 121.272 -1.277 5.433 1.00 0.00 O ATOM 598 CB GLU A 38 121.340 1.290 7.213 1.00 0.00 C ATOM 599 CG GLU A 38 120.600 0.767 8.458 1.00 0.00 C ATOM 600 CD GLU A 38 119.150 1.181 8.550 1.00 0.00 C ATOM 601 OE1 GLU A 38 118.824 2.360 8.295 1.00 0.00 O ATOM 602 OE2 GLU A 38 118.308 0.339 8.895 1.00 0.00 O ATOM 0 H GLU A 38 119.175 2.317 6.500 1.00 0.00 H new ATOM 0 HA GLU A 38 121.384 1.279 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.337 0.851 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.468 2.367 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.654 -0.322 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 38 121.121 1.118 9.348 1.00 0.00 H new ATOM 609 N GLU A 39 119.085 -0.827 5.697 1.00 0.00 N ATOM 610 CA GLU A 39 118.695 -2.220 5.560 1.00 0.00 C ATOM 611 C GLU A 39 118.965 -2.739 4.164 1.00 0.00 C ATOM 612 O GLU A 39 119.073 -3.917 3.969 1.00 0.00 O ATOM 613 CB GLU A 39 117.236 -2.506 5.990 1.00 0.00 C ATOM 614 CG GLU A 39 116.126 -1.834 5.183 1.00 0.00 C ATOM 615 CD GLU A 39 116.127 -0.345 5.302 1.00 0.00 C ATOM 616 OE1 GLU A 39 115.762 0.181 6.360 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.484 0.325 4.353 1.00 0.00 O ATOM 0 H GLU A 39 118.309 -0.176 5.820 1.00 0.00 H new ATOM 0 HA GLU A 39 119.326 -2.768 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 39 117.077 -3.584 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 39 117.126 -2.205 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.233 -2.108 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 39 115.161 -2.217 5.516 1.00 0.00 H new ATOM 624 N ASN A 40 119.099 -1.835 3.207 1.00 0.00 N ATOM 625 CA ASN A 40 119.409 -2.212 1.829 1.00 0.00 C ATOM 626 C ASN A 40 120.867 -2.709 1.726 1.00 0.00 C ATOM 627 O ASN A 40 121.166 -3.769 1.102 1.00 0.00 O ATOM 628 CB ASN A 40 119.171 -1.030 0.853 1.00 0.00 C ATOM 629 CG ASN A 40 117.709 -0.575 0.762 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.923 -1.065 -0.062 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.344 0.371 1.583 1.00 0.00 N ATOM 0 H ASN A 40 118.998 -0.831 3.356 1.00 0.00 H new ATOM 0 HA ASN A 40 118.738 -3.022 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.784 -0.185 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.512 -1.320 -0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.389 0.727 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.014 0.754 2.250 1.00 0.00 H new ATOM 638 N ILE A 41 121.780 -2.003 2.393 1.00 0.00 N ATOM 639 CA ILE A 41 123.178 -2.378 2.317 1.00 0.00 C ATOM 640 C ILE A 41 123.363 -3.693 3.065 1.00 0.00 C ATOM 641 O ILE A 41 124.029 -4.604 2.589 1.00 0.00 O ATOM 642 CB ILE A 41 124.158 -1.260 2.854 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.506 -1.339 2.116 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.365 -1.322 4.391 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.513 -0.300 2.558 1.00 0.00 C ATOM 0 H ILE A 41 121.578 -1.190 2.976 1.00 0.00 H new ATOM 0 HA ILE A 41 123.443 -2.501 1.267 1.00 0.00 H new ATOM 0 HB ILE A 41 123.689 -0.298 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.933 -2.331 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.330 -1.227 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.047 -0.530 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.406 -1.190 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.787 -2.290 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.436 -0.423 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.109 0.697 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.721 -0.424 3.621 1.00 0.00 H new ATOM 657 N GLU A 42 122.661 -3.824 4.192 1.00 0.00 N ATOM 658 CA GLU A 42 122.739 -5.014 4.974 1.00 0.00 C ATOM 659 C GLU A 42 121.850 -6.120 4.459 1.00 0.00 C ATOM 660 O GLU A 42 121.885 -7.249 4.951 1.00 0.00 O ATOM 661 CB GLU A 42 122.603 -4.754 6.453 1.00 0.00 C ATOM 662 CG GLU A 42 123.912 -4.277 7.044 1.00 0.00 C ATOM 663 CD GLU A 42 123.802 -3.860 8.476 1.00 0.00 C ATOM 664 OE1 GLU A 42 123.808 -4.726 9.369 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.711 -2.650 8.746 1.00 0.00 O ATOM 0 H GLU A 42 122.038 -3.109 4.566 1.00 0.00 H new ATOM 0 HA GLU A 42 123.753 -5.393 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.829 -4.006 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.283 -5.665 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.651 -5.074 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.282 -3.437 6.456 1.00 0.00 H new ATOM 672 N PHE A 43 121.080 -5.788 3.452 1.00 0.00 N ATOM 673 CA PHE A 43 120.271 -6.728 2.736 1.00 0.00 C ATOM 674 C PHE A 43 121.185 -7.626 1.960 1.00 0.00 C ATOM 675 O PHE A 43 121.178 -8.848 2.141 1.00 0.00 O ATOM 676 CB PHE A 43 119.328 -5.993 1.787 1.00 0.00 C ATOM 677 CG PHE A 43 118.534 -6.861 0.891 1.00 0.00 C ATOM 678 CD1 PHE A 43 119.020 -7.224 -0.354 1.00 0.00 C ATOM 679 CD2 PHE A 43 117.311 -7.308 1.281 1.00 0.00 C ATOM 680 CE1 PHE A 43 118.284 -8.023 -1.182 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.567 -8.099 0.463 1.00 0.00 C ATOM 682 CZ PHE A 43 117.051 -8.460 -0.774 1.00 0.00 C ATOM 0 H PHE A 43 121.001 -4.833 3.104 1.00 0.00 H new ATOM 0 HA PHE A 43 119.666 -7.312 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.643 -5.386 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.915 -5.307 1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 43 119.990 -6.872 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.926 -7.032 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.670 -8.308 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.595 -8.444 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.459 -9.088 -1.423 1.00 0.00 H new ATOM 692 N TRP A 44 122.015 -7.043 1.100 1.00 0.00 N ATOM 693 CA TRP A 44 122.917 -7.918 0.372 1.00 0.00 C ATOM 694 C TRP A 44 124.111 -8.394 1.187 1.00 0.00 C ATOM 695 O TRP A 44 124.794 -9.352 0.817 1.00 0.00 O ATOM 696 CB TRP A 44 123.235 -7.532 -1.079 1.00 0.00 C ATOM 697 CG TRP A 44 123.703 -6.157 -1.347 1.00 0.00 C ATOM 698 CD1 TRP A 44 123.075 -5.247 -2.131 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.891 -5.532 -0.870 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.802 -4.104 -2.192 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.919 -4.246 -1.410 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.936 -5.935 -0.038 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.941 -3.363 -1.146 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.948 -5.057 0.226 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.945 -3.789 -0.323 1.00 0.00 C ATOM 0 H TRP A 44 122.081 -6.045 0.901 1.00 0.00 H new ATOM 0 HA TRP A 44 122.307 -8.809 0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.995 -8.221 -1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.337 -7.700 -1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 44 122.133 -5.409 -2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.558 -3.274 -2.732 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.944 -6.926 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.949 -2.371 -1.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.760 -5.357 0.871 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.759 -3.116 -0.095 1.00 0.00 H new ATOM 716 N ILE A 45 124.347 -7.740 2.301 1.00 0.00 N ATOM 717 CA ILE A 45 125.317 -8.202 3.286 1.00 0.00 C ATOM 718 C ILE A 45 124.763 -9.472 3.955 1.00 0.00 C ATOM 719 O ILE A 45 125.516 -10.384 4.343 1.00 0.00 O ATOM 720 CB ILE A 45 125.606 -7.065 4.316 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.581 -6.023 3.737 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.003 -7.529 5.717 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.882 -4.850 4.657 1.00 0.00 C ATOM 0 H ILE A 45 123.876 -6.872 2.556 1.00 0.00 H new ATOM 0 HA ILE A 45 126.267 -8.450 2.813 1.00 0.00 H new ATOM 0 HB ILE A 45 124.643 -6.581 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.518 -6.522 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.168 -5.638 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.181 -6.660 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.200 -8.131 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.912 -8.127 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.577 -4.170 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.957 -4.321 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.328 -5.218 5.581 1.00 0.00 H new ATOM 735 N ALA A 46 123.444 -9.549 4.027 1.00 0.00 N ATOM 736 CA ALA A 46 122.784 -10.713 4.554 1.00 0.00 C ATOM 737 C ALA A 46 122.835 -11.840 3.540 1.00 0.00 C ATOM 738 O ALA A 46 123.121 -12.968 3.896 1.00 0.00 O ATOM 739 CB ALA A 46 121.341 -10.413 4.928 1.00 0.00 C ATOM 0 H ALA A 46 122.813 -8.808 3.722 1.00 0.00 H new ATOM 0 HA ALA A 46 123.308 -11.016 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.872 -11.315 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.317 -9.630 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.798 -10.079 4.044 1.00 0.00 H new ATOM 745 N CYS A 47 122.590 -11.537 2.263 1.00 0.00 N ATOM 746 CA CYS A 47 122.583 -12.593 1.256 1.00 0.00 C ATOM 747 C CYS A 47 123.986 -13.116 0.957 1.00 0.00 C ATOM 748 O CYS A 47 124.139 -14.267 0.567 1.00 0.00 O ATOM 749 CB CYS A 47 121.841 -12.205 -0.025 1.00 0.00 C ATOM 750 SG CYS A 47 122.580 -10.869 -0.957 1.00 0.00 S ATOM 0 H CYS A 47 122.400 -10.598 1.912 1.00 0.00 H new ATOM 0 HA CYS A 47 122.016 -13.412 1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 47 121.775 -13.083 -0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 47 120.821 -11.924 0.236 1.00 0.00 H new ATOM 0 HG CYS A 47 123.338 -11.360 -1.892 1.00 0.00 H new ATOM 756 N GLU A 48 125.020 -12.289 1.145 1.00 0.00 N ATOM 757 CA GLU A 48 126.377 -12.795 0.987 1.00 0.00 C ATOM 758 C GLU A 48 126.709 -13.719 2.133 1.00 0.00 C ATOM 759 O GLU A 48 127.368 -14.717 1.946 1.00 0.00 O ATOM 760 CB GLU A 48 127.434 -11.701 0.862 1.00 0.00 C ATOM 761 CG GLU A 48 127.466 -10.728 2.010 1.00 0.00 C ATOM 762 CD GLU A 48 128.643 -9.822 1.975 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.706 -8.956 1.093 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.536 -9.961 2.856 1.00 0.00 O ATOM 0 H GLU A 48 124.945 -11.304 1.397 1.00 0.00 H new ATOM 0 HA GLU A 48 126.400 -13.338 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 48 128.414 -12.169 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.259 -11.148 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.555 -10.130 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.470 -11.283 2.948 1.00 0.00 H new ATOM 771 N ASP A 49 126.219 -13.377 3.321 1.00 0.00 N ATOM 772 CA ASP A 49 126.370 -14.222 4.505 1.00 0.00 C ATOM 773 C ASP A 49 125.599 -15.516 4.285 1.00 0.00 C ATOM 774 O ASP A 49 126.037 -16.606 4.660 1.00 0.00 O ATOM 775 CB ASP A 49 125.825 -13.491 5.734 1.00 0.00 C ATOM 776 CG ASP A 49 125.844 -14.337 6.977 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.897 -14.404 7.650 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.816 -14.942 7.310 1.00 0.00 O ATOM 0 H ASP A 49 125.708 -12.511 3.492 1.00 0.00 H new ATOM 0 HA ASP A 49 127.424 -14.446 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.414 -12.590 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.803 -13.170 5.535 1.00 0.00 H new ATOM 783 N PHE A 50 124.472 -15.369 3.644 1.00 0.00 N ATOM 784 CA PHE A 50 123.607 -16.455 3.275 1.00 0.00 C ATOM 785 C PHE A 50 124.304 -17.408 2.294 1.00 0.00 C ATOM 786 O PHE A 50 124.354 -18.605 2.528 1.00 0.00 O ATOM 787 CB PHE A 50 122.316 -15.885 2.686 1.00 0.00 C ATOM 788 CG PHE A 50 121.347 -16.901 2.225 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.662 -17.669 3.133 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.126 -17.095 0.879 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.771 -18.611 2.714 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.234 -18.036 0.451 1.00 0.00 C ATOM 793 CZ PHE A 50 119.554 -18.797 1.372 1.00 0.00 C ATOM 0 H PHE A 50 124.119 -14.457 3.354 1.00 0.00 H new ATOM 0 HA PHE A 50 123.362 -17.041 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.835 -15.259 3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.570 -15.238 1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.831 -17.525 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.663 -16.498 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.237 -19.210 3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.064 -18.182 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 50 118.848 -19.543 1.039 1.00 0.00 H new ATOM 803 N LYS A 51 124.884 -16.872 1.229 1.00 0.00 N ATOM 804 CA LYS A 51 125.586 -17.718 0.267 1.00 0.00 C ATOM 805 C LYS A 51 126.958 -18.160 0.777 1.00 0.00 C ATOM 806 O LYS A 51 127.626 -18.995 0.170 1.00 0.00 O ATOM 807 CB LYS A 51 125.617 -17.111 -1.170 1.00 0.00 C ATOM 808 CG LYS A 51 126.260 -15.731 -1.369 1.00 0.00 C ATOM 809 CD LYS A 51 127.777 -15.756 -1.284 1.00 0.00 C ATOM 810 CE LYS A 51 128.362 -14.407 -1.658 1.00 0.00 C ATOM 811 NZ LYS A 51 129.838 -14.398 -1.596 1.00 0.00 N ATOM 0 H LYS A 51 124.885 -15.876 1.009 1.00 0.00 H new ATOM 0 HA LYS A 51 124.999 -18.631 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.139 -17.816 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 51 124.589 -17.052 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 51 125.964 -15.337 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 125.872 -15.045 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.084 -16.022 -0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.170 -16.525 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.042 -14.141 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 51 127.968 -13.644 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.191 -13.456 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 130.146 -14.625 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.217 -15.107 -2.256 1.00 0.00 H new ATOM 825 N LYS A 52 127.358 -17.592 1.895 1.00 0.00 N ATOM 826 CA LYS A 52 128.585 -17.959 2.585 1.00 0.00 C ATOM 827 C LYS A 52 128.309 -19.202 3.436 1.00 0.00 C ATOM 828 O LYS A 52 129.232 -19.919 3.867 1.00 0.00 O ATOM 829 CB LYS A 52 129.025 -16.787 3.481 1.00 0.00 C ATOM 830 CG LYS A 52 130.308 -16.996 4.262 1.00 0.00 C ATOM 831 CD LYS A 52 130.596 -15.810 5.177 1.00 0.00 C ATOM 832 CE LYS A 52 130.823 -14.519 4.400 1.00 0.00 C ATOM 833 NZ LYS A 52 131.184 -13.404 5.293 1.00 0.00 N ATOM 0 H LYS A 52 126.835 -16.850 2.360 1.00 0.00 H new ATOM 0 HA LYS A 52 129.379 -18.176 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 52 129.143 -15.902 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 52 128.223 -16.574 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.231 -17.907 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 52 131.139 -17.136 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.762 -15.675 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 52 131.477 -16.027 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 52 131.615 -14.670 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.920 -14.264 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 131.331 -12.542 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 130.417 -13.244 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 132.060 -13.638 5.803 1.00 0.00 H new ATOM 847 N SER A 53 127.037 -19.461 3.655 1.00 0.00 N ATOM 848 CA SER A 53 126.614 -20.581 4.428 1.00 0.00 C ATOM 849 C SER A 53 126.673 -21.834 3.565 1.00 0.00 C ATOM 850 O SER A 53 126.396 -21.788 2.366 1.00 0.00 O ATOM 851 CB SER A 53 125.204 -20.332 4.956 1.00 0.00 C ATOM 852 OG SER A 53 125.157 -19.092 5.666 1.00 0.00 O ATOM 0 H SER A 53 126.273 -18.890 3.294 1.00 0.00 H new ATOM 0 HA SER A 53 127.274 -20.722 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.495 -20.313 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 53 124.904 -21.148 5.613 1.00 0.00 H new ATOM 0 HG SER A 53 125.370 -18.357 5.054 1.00 0.00 H new ATOM 858 N LYS A 54 127.053 -22.923 4.158 1.00 0.00 N ATOM 859 CA LYS A 54 127.216 -24.159 3.441 1.00 0.00 C ATOM 860 C LYS A 54 126.405 -25.270 4.068 1.00 0.00 C ATOM 861 O LYS A 54 126.425 -26.408 3.606 1.00 0.00 O ATOM 862 CB LYS A 54 128.719 -24.516 3.303 1.00 0.00 C ATOM 863 CG LYS A 54 129.558 -24.469 4.604 1.00 0.00 C ATOM 864 CD LYS A 54 129.240 -25.598 5.589 1.00 0.00 C ATOM 865 CE LYS A 54 129.553 -26.976 5.007 1.00 0.00 C ATOM 866 NZ LYS A 54 130.982 -27.127 4.663 1.00 0.00 N ATOM 0 H LYS A 54 127.260 -22.985 5.155 1.00 0.00 H new ATOM 0 HA LYS A 54 126.825 -24.030 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.795 -25.519 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.168 -23.833 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.616 -24.514 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.391 -23.512 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 54 129.815 -25.453 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.186 -25.552 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 54 129.271 -27.745 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 128.948 -27.137 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.184 -28.125 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.202 -26.544 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 131.567 -26.819 5.466 1.00 0.00 H new ATOM 880 N GLY A 55 125.709 -24.943 5.117 1.00 0.00 N ATOM 881 CA GLY A 55 124.894 -25.904 5.773 1.00 0.00 C ATOM 882 C GLY A 55 123.465 -25.754 5.350 1.00 0.00 C ATOM 883 O GLY A 55 122.874 -24.703 5.594 1.00 0.00 O ATOM 0 H GLY A 55 125.694 -24.012 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.246 -26.909 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.975 -25.782 6.853 1.00 0.00 H new ATOM 887 N PRO A 56 122.877 -26.780 4.699 1.00 0.00 N ATOM 888 CA PRO A 56 121.499 -26.729 4.208 1.00 0.00 C ATOM 889 C PRO A 56 120.490 -26.424 5.313 1.00 0.00 C ATOM 890 O PRO A 56 119.508 -25.713 5.079 1.00 0.00 O ATOM 891 CB PRO A 56 121.257 -28.120 3.620 1.00 0.00 C ATOM 892 CG PRO A 56 122.615 -28.646 3.325 1.00 0.00 C ATOM 893 CD PRO A 56 123.515 -28.071 4.376 1.00 0.00 C ATOM 0 HA PRO A 56 121.367 -25.927 3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.728 -28.762 4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 56 120.648 -28.068 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.627 -29.736 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 56 122.940 -28.350 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.578 -28.719 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.531 -27.936 4.006 1.00 0.00 H new ATOM 901 N GLN A 57 120.755 -26.906 6.532 1.00 0.00 N ATOM 902 CA GLN A 57 119.860 -26.646 7.650 1.00 0.00 C ATOM 903 C GLN A 57 119.827 -25.154 7.953 1.00 0.00 C ATOM 904 O GLN A 57 118.777 -24.604 8.284 1.00 0.00 O ATOM 905 CB GLN A 57 120.260 -27.416 8.909 1.00 0.00 C ATOM 906 CG GLN A 57 120.190 -28.934 8.806 1.00 0.00 C ATOM 907 CD GLN A 57 120.522 -29.603 10.132 1.00 0.00 C ATOM 908 OE1 GLN A 57 120.279 -29.041 11.204 1.00 0.00 O ATOM 909 NE2 GLN A 57 121.070 -30.779 10.088 1.00 0.00 N ATOM 0 H GLN A 57 121.573 -27.471 6.762 1.00 0.00 H new ATOM 0 HA GLN A 57 118.869 -26.991 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 57 121.279 -27.135 9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.616 -27.096 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 57 119.191 -29.232 8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.884 -29.279 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 57 121.260 -31.220 9.188 1.00 0.00 H new ATOM 0 HE22 GLN A 57 121.311 -31.262 10.953 1.00 0.00 H new ATOM 918 N GLN A 58 120.974 -24.506 7.792 1.00 0.00 N ATOM 919 CA GLN A 58 121.100 -23.078 8.017 1.00 0.00 C ATOM 920 C GLN A 58 120.345 -22.333 6.935 1.00 0.00 C ATOM 921 O GLN A 58 119.639 -21.388 7.226 1.00 0.00 O ATOM 922 CB GLN A 58 122.583 -22.645 7.995 1.00 0.00 C ATOM 923 CG GLN A 58 122.835 -21.154 8.293 1.00 0.00 C ATOM 924 CD GLN A 58 122.471 -20.775 9.714 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.338 -20.385 9.999 1.00 0.00 O ATOM 926 NE2 GLN A 58 123.418 -20.883 10.607 1.00 0.00 N ATOM 0 H GLN A 58 121.841 -24.959 7.502 1.00 0.00 H new ATOM 0 HA GLN A 58 120.684 -22.843 8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 58 123.130 -23.242 8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.999 -22.879 7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.886 -20.925 8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.256 -20.545 7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 58 124.344 -21.210 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 58 123.232 -20.640 11.580 1.00 0.00 H new ATOM 935 N ILE A 59 120.473 -22.814 5.692 1.00 0.00 N ATOM 936 CA ILE A 59 119.875 -22.171 4.507 1.00 0.00 C ATOM 937 C ILE A 59 118.389 -21.920 4.707 1.00 0.00 C ATOM 938 O ILE A 59 117.930 -20.808 4.568 1.00 0.00 O ATOM 939 CB ILE A 59 120.025 -23.027 3.220 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.467 -23.511 3.018 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.541 -22.242 2.005 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.513 -22.432 2.963 1.00 0.00 C ATOM 0 H ILE A 59 120.995 -23.663 5.475 1.00 0.00 H new ATOM 0 HA ILE A 59 120.417 -21.233 4.386 1.00 0.00 H new ATOM 0 HB ILE A 59 119.403 -23.914 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.719 -24.195 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.513 -24.084 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.652 -22.853 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.492 -21.978 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.133 -21.333 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.494 -22.884 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.297 -21.758 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.507 -21.871 3.898 1.00 0.00 H new ATOM 954 N HIS A 60 117.658 -22.966 5.063 1.00 0.00 N ATOM 955 CA HIS A 60 116.189 -22.875 5.237 1.00 0.00 C ATOM 956 C HIS A 60 115.802 -21.829 6.263 1.00 0.00 C ATOM 957 O HIS A 60 114.856 -21.061 6.057 1.00 0.00 O ATOM 958 CB HIS A 60 115.564 -24.215 5.649 1.00 0.00 C ATOM 959 CG HIS A 60 115.682 -25.325 4.650 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.724 -25.601 3.717 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.637 -26.248 4.477 1.00 0.00 C ATOM 962 CE1 HIS A 60 115.080 -26.644 3.010 1.00 0.00 C ATOM 963 NE2 HIS A 60 116.238 -27.057 3.452 1.00 0.00 N ATOM 0 H HIS A 60 118.044 -23.893 5.240 1.00 0.00 H new ATOM 0 HA HIS A 60 115.801 -22.587 4.260 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.028 -24.539 6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.507 -24.052 5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.553 -26.336 5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.515 -27.086 2.202 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.760 -27.855 3.090 1.00 0.00 H new ATOM 972 N LEU A 61 116.541 -21.787 7.338 1.00 0.00 N ATOM 973 CA LEU A 61 116.250 -20.894 8.442 1.00 0.00 C ATOM 974 C LEU A 61 116.659 -19.499 8.079 1.00 0.00 C ATOM 975 O LEU A 61 115.870 -18.565 8.142 1.00 0.00 O ATOM 976 CB LEU A 61 117.061 -21.308 9.639 1.00 0.00 C ATOM 977 CG LEU A 61 116.981 -22.755 10.025 1.00 0.00 C ATOM 978 CD1 LEU A 61 117.990 -23.020 11.095 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.582 -23.119 10.480 1.00 0.00 C ATOM 0 H LEU A 61 117.366 -22.370 7.480 1.00 0.00 H new ATOM 0 HA LEU A 61 115.183 -20.936 8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.105 -21.062 9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.744 -20.708 10.492 1.00 0.00 H new ATOM 0 HG LEU A 61 117.203 -23.379 9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 61 117.944 -24.069 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.987 -22.791 10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.776 -22.393 11.961 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.551 -24.174 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.311 -22.512 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.876 -22.934 9.670 1.00 0.00 H new ATOM 991 N LYS A 62 117.913 -19.377 7.727 1.00 0.00 N ATOM 992 CA LYS A 62 118.514 -18.112 7.353 1.00 0.00 C ATOM 993 C LYS A 62 117.768 -17.432 6.196 1.00 0.00 C ATOM 994 O LYS A 62 117.531 -16.225 6.245 1.00 0.00 O ATOM 995 CB LYS A 62 120.011 -18.283 7.042 1.00 0.00 C ATOM 996 CG LYS A 62 120.710 -16.981 6.722 1.00 0.00 C ATOM 997 CD LYS A 62 122.204 -17.132 6.548 1.00 0.00 C ATOM 998 CE LYS A 62 122.875 -17.523 7.846 1.00 0.00 C ATOM 999 NZ LYS A 62 124.334 -17.506 7.719 1.00 0.00 N ATOM 0 H LYS A 62 118.560 -20.164 7.690 1.00 0.00 H new ATOM 0 HA LYS A 62 118.425 -17.446 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.501 -18.750 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.124 -18.964 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.285 -16.563 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.515 -16.266 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.409 -17.887 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.626 -16.194 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.569 -16.838 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.546 -18.519 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 124.754 -18.097 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 124.606 -17.879 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 124.680 -16.530 7.816 1.00 0.00 H new ATOM 1013 N ALA A 63 117.373 -18.203 5.178 1.00 0.00 N ATOM 1014 CA ALA A 63 116.621 -17.644 4.058 1.00 0.00 C ATOM 1015 C ALA A 63 115.314 -17.109 4.539 1.00 0.00 C ATOM 1016 O ALA A 63 114.993 -15.972 4.282 1.00 0.00 O ATOM 1017 CB ALA A 63 116.363 -18.665 2.953 1.00 0.00 C ATOM 0 H ALA A 63 117.560 -19.203 5.109 1.00 0.00 H new ATOM 0 HA ALA A 63 117.232 -16.845 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.801 -18.194 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.314 -19.031 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.790 -19.500 3.356 1.00 0.00 H new ATOM 1023 N LYS A 64 114.579 -17.916 5.278 1.00 0.00 N ATOM 1024 CA LYS A 64 113.262 -17.510 5.743 1.00 0.00 C ATOM 1025 C LYS A 64 113.359 -16.317 6.705 1.00 0.00 C ATOM 1026 O LYS A 64 112.470 -15.457 6.736 1.00 0.00 O ATOM 1027 CB LYS A 64 112.526 -18.693 6.358 1.00 0.00 C ATOM 1028 CG LYS A 64 111.034 -18.480 6.517 1.00 0.00 C ATOM 1029 CD LYS A 64 110.353 -19.781 6.878 1.00 0.00 C ATOM 1030 CE LYS A 64 108.846 -19.668 6.815 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.291 -18.758 7.838 1.00 0.00 N ATOM 0 H LYS A 64 114.866 -18.851 5.569 1.00 0.00 H new ATOM 0 HA LYS A 64 112.677 -17.174 4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.692 -19.573 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.958 -18.907 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.847 -17.737 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.615 -18.087 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.686 -20.565 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.652 -20.081 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.555 -19.314 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.408 -20.658 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.252 -18.786 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.612 -19.058 8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.618 -17.788 7.654 1.00 0.00 H new ATOM 1045 N ALA A 65 114.459 -16.250 7.442 1.00 0.00 N ATOM 1046 CA ALA A 65 114.734 -15.137 8.329 1.00 0.00 C ATOM 1047 C ALA A 65 114.890 -13.853 7.524 1.00 0.00 C ATOM 1048 O ALA A 65 114.191 -12.873 7.769 1.00 0.00 O ATOM 1049 CB ALA A 65 115.987 -15.399 9.142 1.00 0.00 C ATOM 0 H ALA A 65 115.184 -16.968 7.439 1.00 0.00 H new ATOM 0 HA ALA A 65 113.895 -15.026 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 116.176 -14.552 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.851 -16.301 9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.835 -15.533 8.470 1.00 0.00 H new ATOM 1055 N ILE A 66 115.773 -13.891 6.539 1.00 0.00 N ATOM 1056 CA ILE A 66 116.042 -12.750 5.663 1.00 0.00 C ATOM 1057 C ILE A 66 114.786 -12.405 4.853 1.00 0.00 C ATOM 1058 O ILE A 66 114.454 -11.237 4.641 1.00 0.00 O ATOM 1059 CB ILE A 66 117.238 -13.073 4.717 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.518 -13.287 5.547 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.437 -11.996 3.651 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.742 -13.679 4.739 1.00 0.00 C ATOM 0 H ILE A 66 116.329 -14.717 6.319 1.00 0.00 H new ATOM 0 HA ILE A 66 116.309 -11.886 6.271 1.00 0.00 H new ATOM 0 HB ILE A 66 117.007 -13.995 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.738 -12.369 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.327 -14.061 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.281 -12.264 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.536 -11.915 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.636 -11.039 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.593 -13.808 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.548 -14.615 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.965 -12.896 4.014 1.00 0.00 H new ATOM 1074 N TYR A 67 114.088 -13.436 4.450 1.00 0.00 N ATOM 1075 CA TYR A 67 112.856 -13.332 3.714 1.00 0.00 C ATOM 1076 C TYR A 67 111.830 -12.493 4.469 1.00 0.00 C ATOM 1077 O TYR A 67 111.436 -11.427 4.005 1.00 0.00 O ATOM 1078 CB TYR A 67 112.308 -14.736 3.449 1.00 0.00 C ATOM 1079 CG TYR A 67 110.976 -14.763 2.780 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.847 -14.369 1.476 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.845 -15.158 3.467 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.631 -14.356 0.857 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.619 -15.163 2.863 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.511 -14.761 1.559 1.00 0.00 C ATOM 1085 OH TYR A 67 107.277 -14.736 0.967 1.00 0.00 O ATOM 0 H TYR A 67 114.371 -14.399 4.631 1.00 0.00 H new ATOM 0 HA TYR A 67 113.055 -12.832 2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.022 -15.280 2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.235 -15.269 4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.725 -14.062 0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.931 -15.468 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.544 -14.033 -0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.744 -15.481 3.410 1.00 0.00 H new ATOM 0 HH TYR A 67 106.758 -13.985 1.324 1.00 0.00 H new ATOM 1095 N GLU A 68 111.456 -12.931 5.651 1.00 0.00 N ATOM 1096 CA GLU A 68 110.404 -12.263 6.397 1.00 0.00 C ATOM 1097 C GLU A 68 110.830 -10.944 7.008 1.00 0.00 C ATOM 1098 O GLU A 68 109.991 -10.137 7.397 1.00 0.00 O ATOM 1099 CB GLU A 68 109.778 -13.183 7.421 1.00 0.00 C ATOM 1100 CG GLU A 68 109.063 -14.353 6.781 1.00 0.00 C ATOM 1101 CD GLU A 68 108.279 -15.167 7.750 1.00 0.00 C ATOM 1102 OE1 GLU A 68 107.129 -14.790 8.060 1.00 0.00 O ATOM 1103 OE2 GLU A 68 108.765 -16.216 8.203 1.00 0.00 O ATOM 0 H GLU A 68 111.860 -13.743 6.118 1.00 0.00 H new ATOM 0 HA GLU A 68 109.639 -12.008 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.552 -13.556 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.073 -12.618 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.394 -13.980 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.796 -14.993 6.289 1.00 0.00 H new ATOM 1110 N LYS A 69 112.107 -10.723 7.070 1.00 0.00 N ATOM 1111 CA LYS A 69 112.651 -9.498 7.613 1.00 0.00 C ATOM 1112 C LYS A 69 112.804 -8.423 6.525 1.00 0.00 C ATOM 1113 O LYS A 69 112.718 -7.212 6.811 1.00 0.00 O ATOM 1114 CB LYS A 69 114.008 -9.802 8.275 1.00 0.00 C ATOM 1115 CG LYS A 69 114.743 -8.610 8.868 1.00 0.00 C ATOM 1116 CD LYS A 69 116.024 -9.056 9.553 1.00 0.00 C ATOM 1117 CE LYS A 69 116.778 -7.884 10.163 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.999 -8.324 10.870 1.00 0.00 N ATOM 0 H LYS A 69 112.812 -11.385 6.746 1.00 0.00 H new ATOM 0 HA LYS A 69 111.961 -9.104 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.848 -10.535 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.655 -10.270 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.976 -7.892 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 69 114.100 -8.100 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.786 -9.780 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.664 -9.564 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 69 117.047 -7.177 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 69 116.126 -7.355 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 118.485 -7.497 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.740 -8.979 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 118.633 -8.806 10.201 1.00 0.00 H new ATOM 1132 N PHE A 70 112.926 -8.852 5.276 1.00 0.00 N ATOM 1133 CA PHE A 70 113.296 -7.942 4.211 1.00 0.00 C ATOM 1134 C PHE A 70 112.457 -8.155 2.967 1.00 0.00 C ATOM 1135 O PHE A 70 111.769 -7.251 2.510 1.00 0.00 O ATOM 1136 CB PHE A 70 114.781 -8.126 3.827 1.00 0.00 C ATOM 1137 CG PHE A 70 115.801 -7.743 4.866 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.953 -6.423 5.254 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.634 -8.700 5.418 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.913 -6.067 6.179 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.594 -8.351 6.345 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.734 -7.031 6.725 1.00 0.00 C ATOM 0 H PHE A 70 112.775 -9.817 4.981 1.00 0.00 H new ATOM 0 HA PHE A 70 113.123 -6.935 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.938 -9.173 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.975 -7.541 2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 70 115.314 -5.664 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.531 -9.733 5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 70 117.021 -5.034 6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 70 118.234 -9.108 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.486 -6.754 7.449 1.00 0.00 H new ATOM 1152 N ILE A 71 112.517 -9.364 2.439 1.00 0.00 N ATOM 1153 CA ILE A 71 111.886 -9.738 1.160 1.00 0.00 C ATOM 1154 C ILE A 71 110.363 -9.581 1.215 1.00 0.00 C ATOM 1155 O ILE A 71 109.707 -9.357 0.195 1.00 0.00 O ATOM 1156 CB ILE A 71 112.277 -11.210 0.777 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.792 -11.360 0.703 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.636 -11.680 -0.537 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.434 -10.526 -0.373 1.00 0.00 C ATOM 0 H ILE A 71 113.012 -10.136 2.885 1.00 0.00 H new ATOM 0 HA ILE A 71 112.256 -9.060 0.391 1.00 0.00 H new ATOM 0 HB ILE A 71 111.884 -11.849 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 71 114.222 -11.087 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 71 114.036 -12.408 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.945 -12.704 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.550 -11.639 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.957 -11.030 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.512 -10.686 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 71 114.033 -10.814 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 71 114.222 -9.472 -0.191 1.00 0.00 H new ATOM 1171 N GLN A 72 109.824 -9.671 2.404 1.00 0.00 N ATOM 1172 CA GLN A 72 108.394 -9.523 2.596 1.00 0.00 C ATOM 1173 C GLN A 72 107.931 -8.127 2.368 1.00 0.00 C ATOM 1174 O GLN A 72 108.629 -7.156 2.680 1.00 0.00 O ATOM 1175 CB GLN A 72 107.985 -9.966 3.972 1.00 0.00 C ATOM 1176 CG GLN A 72 108.040 -11.427 4.116 1.00 0.00 C ATOM 1177 CD GLN A 72 106.763 -12.128 3.705 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.560 -12.464 2.537 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.924 -12.396 4.648 1.00 0.00 N ATOM 0 H GLN A 72 110.351 -9.846 3.259 1.00 0.00 H new ATOM 0 HA GLN A 72 107.919 -10.162 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.639 -9.503 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 72 106.973 -9.619 4.179 1.00 0.00 H new ATOM 0 HG2 GLN A 72 108.864 -11.812 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 72 108.261 -11.673 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 72 106.122 -12.104 5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.063 -12.900 4.436 1.00 0.00 H new ATOM 1188 N THR A 73 106.763 -8.035 1.827 1.00 0.00 N ATOM 1189 CA THR A 73 106.122 -6.768 1.623 1.00 0.00 C ATOM 1190 C THR A 73 105.777 -6.206 2.992 1.00 0.00 C ATOM 1191 O THR A 73 106.105 -5.065 3.320 1.00 0.00 O ATOM 1192 CB THR A 73 104.845 -6.916 0.774 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.164 -7.562 -0.473 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.233 -5.555 0.494 1.00 0.00 C ATOM 0 H THR A 73 106.219 -8.837 1.510 1.00 0.00 H new ATOM 0 HA THR A 73 106.791 -6.098 1.082 1.00 0.00 H new ATOM 0 HB THR A 73 104.126 -7.520 1.328 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.350 -7.656 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.332 -5.678 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.978 -5.070 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.950 -4.939 -0.049 1.00 0.00 H new ATOM 1202 N ASP A 74 105.150 -7.025 3.799 1.00 0.00 N ATOM 1203 CA ASP A 74 104.878 -6.661 5.159 1.00 0.00 C ATOM 1204 C ASP A 74 105.931 -7.296 6.031 1.00 0.00 C ATOM 1205 O ASP A 74 105.785 -8.421 6.507 1.00 0.00 O ATOM 1206 CB ASP A 74 103.469 -7.067 5.600 1.00 0.00 C ATOM 1207 CG ASP A 74 103.144 -6.626 7.010 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.108 -5.406 7.262 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.901 -7.488 7.884 1.00 0.00 O ATOM 0 H ASP A 74 104.819 -7.952 3.532 1.00 0.00 H new ATOM 0 HA ASP A 74 104.915 -5.576 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.740 -6.637 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.370 -8.150 5.532 1.00 0.00 H new ATOM 1214 N ALA A 75 107.032 -6.622 6.135 1.00 0.00 N ATOM 1215 CA ALA A 75 108.164 -7.080 6.895 1.00 0.00 C ATOM 1216 C ALA A 75 108.518 -6.026 7.913 1.00 0.00 C ATOM 1217 O ALA A 75 108.138 -4.871 7.748 1.00 0.00 O ATOM 1218 CB ALA A 75 109.347 -7.315 5.966 1.00 0.00 C ATOM 0 H ALA A 75 107.178 -5.718 5.686 1.00 0.00 H new ATOM 0 HA ALA A 75 107.920 -8.016 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 75 110.202 -7.662 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 75 109.083 -8.068 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.604 -6.383 5.462 1.00 0.00 H new ATOM 1224 N PRO A 76 109.250 -6.390 8.985 1.00 0.00 N ATOM 1225 CA PRO A 76 109.664 -5.438 10.011 1.00 0.00 C ATOM 1226 C PRO A 76 110.612 -4.361 9.472 1.00 0.00 C ATOM 1227 O PRO A 76 110.753 -3.294 10.081 1.00 0.00 O ATOM 1228 CB PRO A 76 110.381 -6.304 11.054 1.00 0.00 C ATOM 1229 CG PRO A 76 110.760 -7.541 10.329 1.00 0.00 C ATOM 1230 CD PRO A 76 109.687 -7.759 9.316 1.00 0.00 C ATOM 0 HA PRO A 76 108.810 -4.891 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 76 111.259 -5.796 11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.729 -6.526 11.899 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.734 -7.432 9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.833 -8.388 11.011 1.00 0.00 H new ATOM 0 HD2 PRO A 76 110.063 -8.284 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.869 -8.356 9.719 1.00 0.00 H new ATOM 1238 N LYS A 77 111.279 -4.624 8.343 1.00 0.00 N ATOM 1239 CA LYS A 77 112.156 -3.603 7.785 1.00 0.00 C ATOM 1240 C LYS A 77 111.800 -3.213 6.361 1.00 0.00 C ATOM 1241 O LYS A 77 111.900 -2.024 6.021 1.00 0.00 O ATOM 1242 CB LYS A 77 113.652 -3.918 7.941 1.00 0.00 C ATOM 1243 CG LYS A 77 114.099 -4.026 9.398 1.00 0.00 C ATOM 1244 CD LYS A 77 115.597 -3.807 9.560 1.00 0.00 C ATOM 1245 CE LYS A 77 115.980 -2.371 9.191 1.00 0.00 C ATOM 1246 NZ LYS A 77 117.401 -2.084 9.448 1.00 0.00 N ATOM 0 H LYS A 77 111.230 -5.498 7.820 1.00 0.00 H new ATOM 0 HA LYS A 77 111.970 -2.722 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.874 -4.855 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 77 114.233 -3.140 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 77 113.560 -3.292 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 77 113.834 -5.010 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 77 115.890 -4.013 10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 77 116.142 -4.507 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 77 115.763 -2.200 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 77 115.363 -1.676 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 117.647 -1.158 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 117.573 -2.071 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 117.989 -2.820 9.008 1.00 0.00 H new ATOM 1260 N GLU A 78 111.380 -4.207 5.544 1.00 0.00 N ATOM 1261 CA GLU A 78 110.950 -4.004 4.124 1.00 0.00 C ATOM 1262 C GLU A 78 112.141 -3.667 3.215 1.00 0.00 C ATOM 1263 O GLU A 78 113.187 -3.200 3.684 1.00 0.00 O ATOM 1264 CB GLU A 78 109.897 -2.890 4.001 1.00 0.00 C ATOM 1265 CG GLU A 78 108.616 -3.113 4.773 1.00 0.00 C ATOM 1266 CD GLU A 78 107.778 -1.864 4.807 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.030 -1.601 3.853 1.00 0.00 O ATOM 1268 OE2 GLU A 78 107.875 -1.096 5.790 1.00 0.00 O ATOM 0 H GLU A 78 111.326 -5.180 5.845 1.00 0.00 H new ATOM 0 HA GLU A 78 110.509 -4.947 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.344 -1.954 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.648 -2.765 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 78 108.048 -3.923 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.851 -3.424 5.791 1.00 0.00 H new ATOM 1275 N VAL A 79 111.994 -3.898 1.918 1.00 0.00 N ATOM 1276 CA VAL A 79 113.048 -3.565 0.966 1.00 0.00 C ATOM 1277 C VAL A 79 112.410 -2.953 -0.269 1.00 0.00 C ATOM 1278 O VAL A 79 111.320 -3.346 -0.664 1.00 0.00 O ATOM 1279 CB VAL A 79 113.885 -4.817 0.520 1.00 0.00 C ATOM 1280 CG1 VAL A 79 115.072 -4.420 -0.330 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.371 -5.603 1.688 1.00 0.00 C ATOM 0 H VAL A 79 111.160 -4.312 1.501 1.00 0.00 H new ATOM 0 HA VAL A 79 113.727 -2.871 1.461 1.00 0.00 H new ATOM 0 HB VAL A 79 113.211 -5.437 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.627 -5.312 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.723 -3.904 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.723 -3.757 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.945 -6.460 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 79 115.005 -4.973 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.519 -5.952 2.272 1.00 0.00 H new ATOM 1291 N ASN A 80 113.119 -2.044 -0.908 1.00 0.00 N ATOM 1292 CA ASN A 80 112.658 -1.353 -2.133 1.00 0.00 C ATOM 1293 C ASN A 80 113.023 -2.217 -3.361 1.00 0.00 C ATOM 1294 O ASN A 80 113.177 -1.733 -4.488 1.00 0.00 O ATOM 1295 CB ASN A 80 113.356 0.020 -2.240 1.00 0.00 C ATOM 1296 CG ASN A 80 113.275 0.852 -0.969 1.00 0.00 C ATOM 1297 OD1 ASN A 80 112.323 1.595 -0.755 1.00 0.00 O ATOM 1298 ND2 ASN A 80 114.301 0.769 -0.135 1.00 0.00 N ATOM 0 H ASN A 80 114.046 -1.749 -0.601 1.00 0.00 H new ATOM 0 HA ASN A 80 111.579 -1.205 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 80 114.404 -0.135 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.908 0.582 -3.060 1.00 0.00 H new ATOM 0 HD21 ASN A 80 114.315 1.333 0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 80 115.077 0.141 -0.342 1.00 0.00 H new ATOM 1305 N LEU A 81 113.101 -3.499 -3.101 1.00 0.00 N ATOM 1306 CA LEU A 81 113.522 -4.536 -4.023 1.00 0.00 C ATOM 1307 C LEU A 81 112.533 -4.704 -5.165 1.00 0.00 C ATOM 1308 O LEU A 81 111.334 -4.482 -4.990 1.00 0.00 O ATOM 1309 CB LEU A 81 113.611 -5.849 -3.222 1.00 0.00 C ATOM 1310 CG LEU A 81 114.041 -7.123 -3.939 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.476 -7.042 -4.279 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.775 -8.348 -3.075 1.00 0.00 C ATOM 0 H LEU A 81 112.858 -3.874 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 81 114.482 -4.267 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 81 114.305 -5.685 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.631 -6.033 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 81 113.458 -7.221 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.781 -7.954 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.648 -6.185 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 81 116.060 -6.926 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 81 114.090 -9.245 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 81 114.334 -8.264 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.710 -8.413 -2.854 1.00 0.00 H new ATOM 1324 N ASP A 82 113.059 -5.070 -6.328 1.00 0.00 N ATOM 1325 CA ASP A 82 112.252 -5.410 -7.501 1.00 0.00 C ATOM 1326 C ASP A 82 111.173 -6.423 -7.134 1.00 0.00 C ATOM 1327 O ASP A 82 111.460 -7.460 -6.505 1.00 0.00 O ATOM 1328 CB ASP A 82 113.149 -5.975 -8.607 1.00 0.00 C ATOM 1329 CG ASP A 82 112.382 -6.573 -9.770 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.966 -5.826 -10.681 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.188 -7.805 -9.785 1.00 0.00 O ATOM 0 H ASP A 82 114.064 -5.141 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 82 111.766 -4.504 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.795 -5.180 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.798 -6.739 -8.180 1.00 0.00 H new ATOM 1336 N PHE A 83 109.952 -6.118 -7.534 1.00 0.00 N ATOM 1337 CA PHE A 83 108.776 -6.911 -7.209 1.00 0.00 C ATOM 1338 C PHE A 83 108.883 -8.323 -7.667 1.00 0.00 C ATOM 1339 O PHE A 83 108.604 -9.243 -6.899 1.00 0.00 O ATOM 1340 CB PHE A 83 107.516 -6.301 -7.795 1.00 0.00 C ATOM 1341 CG PHE A 83 107.158 -5.002 -7.199 1.00 0.00 C ATOM 1342 CD1 PHE A 83 106.563 -4.961 -5.972 1.00 0.00 C ATOM 1343 CD2 PHE A 83 107.420 -3.829 -7.859 1.00 0.00 C ATOM 1344 CE1 PHE A 83 106.224 -3.757 -5.393 1.00 0.00 C ATOM 1345 CE2 PHE A 83 107.090 -2.612 -7.300 1.00 0.00 C ATOM 1346 CZ PHE A 83 106.488 -2.577 -6.059 1.00 0.00 C ATOM 0 H PHE A 83 109.744 -5.298 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 83 108.717 -6.909 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 83 107.649 -6.174 -8.869 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.688 -6.996 -7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 83 106.355 -5.882 -5.448 1.00 0.00 H new ATOM 0 HD2 PHE A 83 107.891 -3.858 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 83 105.753 -3.737 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 83 107.301 -1.694 -7.829 1.00 0.00 H new ATOM 0 HZ PHE A 83 106.224 -1.630 -5.611 1.00 0.00 H new ATOM 1356 N HIS A 84 109.316 -8.509 -8.894 1.00 0.00 N ATOM 1357 CA HIS A 84 109.369 -9.832 -9.454 1.00 0.00 C ATOM 1358 C HIS A 84 110.445 -10.666 -8.773 1.00 0.00 C ATOM 1359 O HIS A 84 110.307 -11.877 -8.633 1.00 0.00 O ATOM 1360 CB HIS A 84 109.521 -9.815 -10.993 1.00 0.00 C ATOM 1361 CG HIS A 84 109.735 -11.178 -11.623 1.00 0.00 C ATOM 1362 ND1 HIS A 84 108.777 -12.166 -11.661 1.00 0.00 N ATOM 1363 CD2 HIS A 84 110.832 -11.711 -12.215 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.272 -13.233 -12.244 1.00 0.00 C ATOM 1365 NE2 HIS A 84 110.517 -12.988 -12.588 1.00 0.00 N ATOM 0 H HIS A 84 109.633 -7.765 -9.515 1.00 0.00 H new ATOM 0 HA HIS A 84 108.410 -10.311 -9.257 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.629 -9.365 -11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.362 -9.173 -11.255 1.00 0.00 H new ATOM 0 HD1 HIS A 84 107.829 -12.082 -11.293 1.00 0.00 H new ATOM 0 HD2 HIS A 84 111.781 -11.217 -12.365 1.00 0.00 H new ATOM 0 HE1 HIS A 84 108.743 -14.160 -12.413 1.00 0.00 H new ATOM 1374 N THR A 85 111.498 -10.017 -8.361 1.00 0.00 N ATOM 1375 CA THR A 85 112.547 -10.665 -7.643 1.00 0.00 C ATOM 1376 C THR A 85 112.018 -11.184 -6.307 1.00 0.00 C ATOM 1377 O THR A 85 112.219 -12.355 -5.979 1.00 0.00 O ATOM 1378 CB THR A 85 113.725 -9.713 -7.429 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.190 -9.248 -8.713 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.853 -10.411 -6.703 1.00 0.00 C ATOM 0 H THR A 85 111.649 -9.020 -8.517 1.00 0.00 H new ATOM 0 HA THR A 85 112.904 -11.511 -8.230 1.00 0.00 H new ATOM 0 HB THR A 85 113.395 -8.871 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.520 -8.651 -9.107 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.680 -9.715 -6.562 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.501 -10.758 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.192 -11.263 -7.292 1.00 0.00 H new ATOM 1388 N LYS A 86 111.291 -10.320 -5.569 1.00 0.00 N ATOM 1389 CA LYS A 86 110.680 -10.735 -4.300 1.00 0.00 C ATOM 1390 C LYS A 86 109.749 -11.904 -4.574 1.00 0.00 C ATOM 1391 O LYS A 86 109.765 -12.891 -3.875 1.00 0.00 O ATOM 1392 CB LYS A 86 109.824 -9.640 -3.645 1.00 0.00 C ATOM 1393 CG LYS A 86 110.422 -8.267 -3.512 1.00 0.00 C ATOM 1394 CD LYS A 86 109.497 -7.397 -2.678 1.00 0.00 C ATOM 1395 CE LYS A 86 109.974 -5.968 -2.582 1.00 0.00 C ATOM 1396 NZ LYS A 86 109.099 -5.161 -1.714 1.00 0.00 N ATOM 0 H LYS A 86 111.117 -9.349 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 86 111.501 -10.981 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.901 -9.549 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 86 109.548 -9.983 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 86 111.404 -8.329 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.567 -7.824 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 86 108.498 -7.414 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 86 109.415 -7.817 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 110.992 -5.949 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 86 110.006 -5.527 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 109.663 -4.430 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 108.361 -4.707 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 108.654 -5.775 -1.003 1.00 0.00 H new ATOM 1410 N GLU A 87 108.969 -11.756 -5.635 1.00 0.00 N ATOM 1411 CA GLU A 87 107.989 -12.732 -6.101 1.00 0.00 C ATOM 1412 C GLU A 87 108.599 -14.133 -6.262 1.00 0.00 C ATOM 1413 O GLU A 87 108.066 -15.115 -5.736 1.00 0.00 O ATOM 1414 CB GLU A 87 107.405 -12.217 -7.412 1.00 0.00 C ATOM 1415 CG GLU A 87 106.430 -13.118 -8.118 1.00 0.00 C ATOM 1416 CD GLU A 87 105.858 -12.435 -9.327 1.00 0.00 C ATOM 1417 OE1 GLU A 87 106.473 -12.485 -10.412 1.00 0.00 O ATOM 1418 OE2 GLU A 87 104.788 -11.802 -9.217 1.00 0.00 O ATOM 0 H GLU A 87 109.001 -10.921 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 87 107.199 -12.841 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.908 -11.267 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.230 -12.008 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.929 -14.040 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.626 -13.397 -7.437 1.00 0.00 H new ATOM 1425 N VAL A 88 109.728 -14.220 -6.923 1.00 0.00 N ATOM 1426 CA VAL A 88 110.382 -15.504 -7.115 1.00 0.00 C ATOM 1427 C VAL A 88 110.815 -16.081 -5.769 1.00 0.00 C ATOM 1428 O VAL A 88 110.662 -17.279 -5.514 1.00 0.00 O ATOM 1429 CB VAL A 88 111.582 -15.398 -8.078 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.248 -16.754 -8.274 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.114 -14.854 -9.406 1.00 0.00 C ATOM 0 H VAL A 88 110.215 -13.425 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 88 109.661 -16.181 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 88 112.318 -14.721 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.091 -16.650 -8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 88 112.604 -17.127 -7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.527 -17.457 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 88 111.961 -14.779 -10.087 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.366 -15.524 -9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.676 -13.866 -9.261 1.00 0.00 H new ATOM 1441 N ILE A 89 111.278 -15.216 -4.889 1.00 0.00 N ATOM 1442 CA ILE A 89 111.701 -15.626 -3.564 1.00 0.00 C ATOM 1443 C ILE A 89 110.483 -16.083 -2.748 1.00 0.00 C ATOM 1444 O ILE A 89 110.532 -17.105 -2.084 1.00 0.00 O ATOM 1445 CB ILE A 89 112.416 -14.479 -2.816 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.565 -13.925 -3.667 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.939 -14.966 -1.465 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.232 -12.709 -3.072 1.00 0.00 C ATOM 0 H ILE A 89 111.371 -14.216 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 89 112.405 -16.450 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 89 111.697 -13.679 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.312 -14.707 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.183 -13.671 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.440 -14.145 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.105 -15.319 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.645 -15.781 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.034 -12.375 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.499 -11.910 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.646 -12.962 -2.096 1.00 0.00 H new ATOM 1460 N THR A 90 109.376 -15.347 -2.857 1.00 0.00 N ATOM 1461 CA THR A 90 108.150 -15.677 -2.128 1.00 0.00 C ATOM 1462 C THR A 90 107.604 -17.051 -2.534 1.00 0.00 C ATOM 1463 O THR A 90 106.922 -17.711 -1.759 1.00 0.00 O ATOM 1464 CB THR A 90 107.031 -14.588 -2.294 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.659 -14.436 -3.661 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.477 -13.235 -1.771 1.00 0.00 C ATOM 0 H THR A 90 109.303 -14.516 -3.445 1.00 0.00 H new ATOM 0 HA THR A 90 108.430 -15.705 -1.075 1.00 0.00 H new ATOM 0 HB THR A 90 106.178 -14.937 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.250 -14.979 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.674 -12.510 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.720 -13.316 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.359 -12.905 -2.321 1.00 0.00 H new ATOM 1474 N ASN A 91 107.929 -17.478 -3.747 1.00 0.00 N ATOM 1475 CA ASN A 91 107.468 -18.767 -4.260 1.00 0.00 C ATOM 1476 C ASN A 91 108.523 -19.845 -4.071 1.00 0.00 C ATOM 1477 O ASN A 91 108.230 -21.034 -4.167 1.00 0.00 O ATOM 1478 CB ASN A 91 107.124 -18.657 -5.749 1.00 0.00 C ATOM 1479 CG ASN A 91 105.970 -17.717 -6.035 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.030 -17.597 -5.244 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.046 -17.025 -7.140 1.00 0.00 N ATOM 0 H ASN A 91 108.512 -16.951 -4.398 1.00 0.00 H new ATOM 0 HA ASN A 91 106.577 -19.044 -3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.004 -18.315 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 91 106.878 -19.648 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.312 -16.357 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 91 106.839 -17.153 -7.768 1.00 0.00 H new ATOM 1488 N SER A 92 109.744 -19.441 -3.800 1.00 0.00 N ATOM 1489 CA SER A 92 110.834 -20.387 -3.690 1.00 0.00 C ATOM 1490 C SER A 92 111.474 -20.378 -2.296 1.00 0.00 C ATOM 1491 O SER A 92 112.546 -20.950 -2.097 1.00 0.00 O ATOM 1492 CB SER A 92 111.882 -20.074 -4.753 1.00 0.00 C ATOM 1493 OG SER A 92 111.295 -20.013 -6.051 1.00 0.00 O ATOM 0 H SER A 92 110.008 -18.467 -3.652 1.00 0.00 H new ATOM 0 HA SER A 92 110.428 -21.386 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.364 -19.124 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 92 112.659 -20.838 -4.738 1.00 0.00 H new ATOM 0 HG SER A 92 110.939 -19.113 -6.207 1.00 0.00 H new ATOM 1499 N ILE A 93 110.815 -19.761 -1.333 1.00 0.00 N ATOM 1500 CA ILE A 93 111.338 -19.702 0.033 1.00 0.00 C ATOM 1501 C ILE A 93 110.998 -21.018 0.755 1.00 0.00 C ATOM 1502 O ILE A 93 111.542 -21.340 1.822 1.00 0.00 O ATOM 1503 CB ILE A 93 110.760 -18.478 0.808 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.515 -18.246 2.130 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.273 -18.654 1.064 1.00 0.00 C ATOM 1506 CD1 ILE A 93 112.987 -17.890 1.939 1.00 0.00 C ATOM 0 H ILE A 93 109.918 -19.293 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 93 112.420 -19.576 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 93 110.899 -17.595 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.025 -17.445 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.444 -19.145 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 93 108.892 -17.788 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 93 108.749 -18.747 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.110 -19.554 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.455 -17.741 2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.492 -18.701 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.067 -16.974 1.354 1.00 0.00 H new ATOM 1518 N THR A 94 110.060 -21.736 0.171 1.00 0.00 N ATOM 1519 CA THR A 94 109.687 -23.066 0.597 1.00 0.00 C ATOM 1520 C THR A 94 110.920 -23.994 0.620 1.00 0.00 C ATOM 1521 O THR A 94 111.108 -24.760 1.568 1.00 0.00 O ATOM 1522 CB THR A 94 108.569 -23.652 -0.332 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.222 -24.985 0.055 1.00 0.00 O ATOM 1524 CG2 THR A 94 108.979 -23.633 -1.804 1.00 0.00 C ATOM 0 H THR A 94 109.525 -21.402 -0.631 1.00 0.00 H new ATOM 0 HA THR A 94 109.288 -23.002 1.609 1.00 0.00 H new ATOM 0 HB THR A 94 107.697 -23.009 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.522 -25.326 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.175 -24.048 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.175 -22.607 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 94 109.880 -24.231 -1.938 1.00 0.00 H new ATOM 1532 N GLN A 95 111.780 -23.861 -0.386 1.00 0.00 N ATOM 1533 CA GLN A 95 112.989 -24.654 -0.526 1.00 0.00 C ATOM 1534 C GLN A 95 114.106 -23.757 -1.040 1.00 0.00 C ATOM 1535 O GLN A 95 114.309 -23.638 -2.249 1.00 0.00 O ATOM 1536 CB GLN A 95 112.798 -25.830 -1.505 1.00 0.00 C ATOM 1537 CG GLN A 95 111.728 -26.843 -1.126 1.00 0.00 C ATOM 1538 CD GLN A 95 112.040 -27.648 0.130 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.708 -27.190 1.057 1.00 0.00 O ATOM 1540 NE2 GLN A 95 111.564 -28.854 0.162 1.00 0.00 N ATOM 0 H GLN A 95 111.650 -23.185 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 95 113.237 -25.069 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 95 112.555 -25.424 -2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 95 113.749 -26.354 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 95 110.783 -26.319 -0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.586 -27.532 -1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.014 -29.206 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.740 -29.450 0.971 1.00 0.00 H new ATOM 1549 N PRO A 96 114.768 -23.035 -0.152 1.00 0.00 N ATOM 1550 CA PRO A 96 115.859 -22.149 -0.528 1.00 0.00 C ATOM 1551 C PRO A 96 117.119 -22.889 -0.922 1.00 0.00 C ATOM 1552 O PRO A 96 117.313 -24.079 -0.596 1.00 0.00 O ATOM 1553 CB PRO A 96 116.087 -21.320 0.723 1.00 0.00 C ATOM 1554 CG PRO A 96 115.636 -22.194 1.835 1.00 0.00 C ATOM 1555 CD PRO A 96 114.490 -22.982 1.287 1.00 0.00 C ATOM 0 HA PRO A 96 115.609 -21.558 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.137 -21.048 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.518 -20.391 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.440 -22.851 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.329 -21.603 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.444 -23.980 1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.535 -22.499 1.494 1.00 0.00 H new ATOM 1563 N THR A 97 117.953 -22.189 -1.606 1.00 0.00 N ATOM 1564 CA THR A 97 119.180 -22.686 -2.086 1.00 0.00 C ATOM 1565 C THR A 97 120.236 -21.632 -1.699 1.00 0.00 C ATOM 1566 O THR A 97 119.888 -20.658 -1.056 1.00 0.00 O ATOM 1567 CB THR A 97 119.097 -22.863 -3.618 1.00 0.00 C ATOM 1568 OG1 THR A 97 117.778 -23.344 -3.983 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.083 -23.898 -4.065 1.00 0.00 C ATOM 0 H THR A 97 117.786 -21.214 -1.853 1.00 0.00 H new ATOM 0 HA THR A 97 119.433 -23.659 -1.664 1.00 0.00 H new ATOM 0 HB THR A 97 119.306 -21.901 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 97 117.727 -23.454 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.019 -24.018 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.090 -23.582 -3.794 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.858 -24.848 -3.581 1.00 0.00 H new ATOM 1577 N LEU A 98 121.475 -21.787 -2.118 1.00 0.00 N ATOM 1578 CA LEU A 98 122.557 -20.897 -1.681 1.00 0.00 C ATOM 1579 C LEU A 98 122.389 -19.475 -2.197 1.00 0.00 C ATOM 1580 O LEU A 98 122.872 -18.535 -1.595 1.00 0.00 O ATOM 1581 CB LEU A 98 123.954 -21.428 -2.098 1.00 0.00 C ATOM 1582 CG LEU A 98 124.410 -22.793 -1.546 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.309 -22.843 -0.034 1.00 0.00 C ATOM 1584 CD2 LEU A 98 123.664 -23.949 -2.194 1.00 0.00 C ATOM 0 H LEU A 98 121.769 -22.520 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 98 122.494 -20.880 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 98 123.977 -21.485 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.694 -20.685 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 98 125.462 -22.907 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 98 124.638 -23.820 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.941 -22.068 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 98 123.275 -22.678 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 98 124.018 -24.891 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 98 122.596 -23.845 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 98 123.843 -23.941 -3.269 1.00 0.00 H new ATOM 1596 N HIS A 99 121.725 -19.311 -3.310 1.00 0.00 N ATOM 1597 CA HIS A 99 121.577 -17.990 -3.889 1.00 0.00 C ATOM 1598 C HIS A 99 120.119 -17.590 -4.060 1.00 0.00 C ATOM 1599 O HIS A 99 119.757 -16.938 -5.037 1.00 0.00 O ATOM 1600 CB HIS A 99 122.365 -17.869 -5.214 1.00 0.00 C ATOM 1601 CG HIS A 99 123.860 -17.732 -5.035 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.559 -16.578 -5.332 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.782 -18.603 -4.572 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.828 -16.745 -5.051 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.989 -17.964 -4.592 1.00 0.00 N ATOM 0 H HIS A 99 121.279 -20.064 -3.835 1.00 0.00 H new ATOM 0 HA HIS A 99 122.008 -17.282 -3.181 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.163 -18.748 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 99 121.996 -17.005 -5.766 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.149 -15.725 -5.712 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.599 -19.616 -4.246 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.607 -16.007 -5.176 1.00 0.00 H new ATOM 1614 N SER A 100 119.288 -17.924 -3.076 1.00 0.00 N ATOM 1615 CA SER A 100 117.866 -17.555 -3.097 1.00 0.00 C ATOM 1616 C SER A 100 117.642 -16.025 -3.191 1.00 0.00 C ATOM 1617 O SER A 100 116.623 -15.568 -3.706 1.00 0.00 O ATOM 1618 CB SER A 100 117.136 -18.161 -1.884 1.00 0.00 C ATOM 1619 OG SER A 100 117.181 -19.571 -1.963 1.00 0.00 O ATOM 0 H SER A 100 119.571 -18.451 -2.250 1.00 0.00 H new ATOM 0 HA SER A 100 117.437 -17.976 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.603 -17.823 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.101 -17.820 -1.862 1.00 0.00 H new ATOM 0 HG SER A 100 116.493 -19.886 -2.586 1.00 0.00 H new ATOM 1625 N PHE A 101 118.608 -15.246 -2.740 1.00 0.00 N ATOM 1626 CA PHE A 101 118.481 -13.793 -2.777 1.00 0.00 C ATOM 1627 C PHE A 101 119.513 -13.200 -3.741 1.00 0.00 C ATOM 1628 O PHE A 101 119.853 -12.024 -3.657 1.00 0.00 O ATOM 1629 CB PHE A 101 118.696 -13.205 -1.375 1.00 0.00 C ATOM 1630 CG PHE A 101 117.880 -13.857 -0.296 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.499 -13.763 -0.285 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.503 -14.567 0.711 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.761 -14.369 0.713 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.769 -15.167 1.703 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.400 -15.067 1.700 1.00 0.00 C ATOM 0 H PHE A 101 119.485 -15.588 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 101 117.478 -13.542 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.752 -13.290 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.459 -12.141 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.994 -13.211 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.580 -14.651 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.684 -14.292 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.268 -15.718 2.486 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.825 -15.542 2.481 1.00 0.00 H new ATOM 1645 N ASP A 102 119.959 -14.009 -4.693 1.00 0.00 N ATOM 1646 CA ASP A 102 121.025 -13.603 -5.625 1.00 0.00 C ATOM 1647 C ASP A 102 120.593 -12.468 -6.531 1.00 0.00 C ATOM 1648 O ASP A 102 121.325 -11.493 -6.708 1.00 0.00 O ATOM 1649 CB ASP A 102 121.490 -14.769 -6.481 1.00 0.00 C ATOM 1650 CG ASP A 102 122.712 -14.429 -7.293 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.816 -14.442 -6.722 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.591 -14.149 -8.508 1.00 0.00 O ATOM 0 H ASP A 102 119.604 -14.953 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 102 121.851 -13.257 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.708 -15.623 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.684 -15.070 -7.150 1.00 0.00 H new ATOM 1657 N ALA A 103 119.397 -12.574 -7.078 1.00 0.00 N ATOM 1658 CA ALA A 103 118.887 -11.552 -7.975 1.00 0.00 C ATOM 1659 C ALA A 103 118.569 -10.320 -7.178 1.00 0.00 C ATOM 1660 O ALA A 103 118.800 -9.188 -7.613 1.00 0.00 O ATOM 1661 CB ALA A 103 117.639 -12.037 -8.694 1.00 0.00 C ATOM 0 H ALA A 103 118.761 -13.355 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 103 119.645 -11.327 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.276 -11.254 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.877 -12.927 -9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.868 -12.278 -7.962 1.00 0.00 H new ATOM 1667 N ALA A 104 118.095 -10.562 -5.976 1.00 0.00 N ATOM 1668 CA ALA A 104 117.705 -9.527 -5.066 1.00 0.00 C ATOM 1669 C ALA A 104 118.895 -8.669 -4.663 1.00 0.00 C ATOM 1670 O ALA A 104 118.769 -7.450 -4.526 1.00 0.00 O ATOM 1671 CB ALA A 104 116.987 -10.133 -3.877 1.00 0.00 C ATOM 0 H ALA A 104 117.970 -11.504 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 104 117.006 -8.855 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.692 -9.342 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.099 -10.664 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.652 -10.830 -3.367 1.00 0.00 H new ATOM 1677 N GLN A 105 120.043 -9.308 -4.515 1.00 0.00 N ATOM 1678 CA GLN A 105 121.307 -8.635 -4.242 1.00 0.00 C ATOM 1679 C GLN A 105 121.578 -7.559 -5.301 1.00 0.00 C ATOM 1680 O GLN A 105 121.793 -6.386 -4.979 1.00 0.00 O ATOM 1681 CB GLN A 105 122.431 -9.669 -4.248 1.00 0.00 C ATOM 1682 CG GLN A 105 123.818 -9.085 -4.123 1.00 0.00 C ATOM 1683 CD GLN A 105 124.897 -10.132 -4.129 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.700 -11.260 -3.669 1.00 0.00 O ATOM 1685 NE2 GLN A 105 126.040 -9.781 -4.645 1.00 0.00 N ATOM 0 H GLN A 105 120.127 -10.322 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 105 121.257 -8.151 -3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.269 -10.368 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.374 -10.244 -5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.989 -8.390 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 105 123.882 -8.509 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 105 126.164 -8.839 -5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 105 126.811 -10.448 -4.679 1.00 0.00 H new ATOM 1694 N SER A 106 121.519 -7.973 -6.556 1.00 0.00 N ATOM 1695 CA SER A 106 121.732 -7.096 -7.689 1.00 0.00 C ATOM 1696 C SER A 106 120.704 -5.963 -7.689 1.00 0.00 C ATOM 1697 O SER A 106 121.055 -4.795 -7.911 1.00 0.00 O ATOM 1698 CB SER A 106 121.653 -7.916 -8.990 1.00 0.00 C ATOM 1699 OG SER A 106 121.703 -7.100 -10.165 1.00 0.00 O ATOM 0 H SER A 106 121.319 -8.939 -6.817 1.00 0.00 H new ATOM 0 HA SER A 106 122.721 -6.644 -7.618 1.00 0.00 H new ATOM 0 HB2 SER A 106 122.476 -8.630 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.729 -8.494 -8.994 1.00 0.00 H new ATOM 0 HG SER A 106 121.651 -7.669 -10.961 1.00 0.00 H new ATOM 1705 N ARG A 107 119.453 -6.310 -7.383 1.00 0.00 N ATOM 1706 CA ARG A 107 118.361 -5.350 -7.360 1.00 0.00 C ATOM 1707 C ARG A 107 118.596 -4.256 -6.364 1.00 0.00 C ATOM 1708 O ARG A 107 118.430 -3.111 -6.680 1.00 0.00 O ATOM 1709 CB ARG A 107 117.024 -6.026 -7.098 1.00 0.00 C ATOM 1710 CG ARG A 107 116.620 -6.999 -8.172 1.00 0.00 C ATOM 1711 CD ARG A 107 116.551 -6.307 -9.518 1.00 0.00 C ATOM 1712 NE ARG A 107 116.382 -7.247 -10.618 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.981 -6.922 -11.844 1.00 0.00 C ATOM 1714 NH1 ARG A 107 115.564 -5.694 -12.112 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.977 -7.840 -12.794 1.00 0.00 N ATOM 0 H ARG A 107 119.174 -7.262 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 107 118.326 -4.898 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.072 -6.551 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.253 -5.262 -7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.336 -7.820 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.650 -7.434 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.722 -5.600 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.462 -5.730 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 107 116.587 -8.229 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 107 115.549 -4.989 -11.375 1.00 0.00 H new ATOM 0 HH12 ARG A 107 115.258 -5.454 -13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 107 116.280 -8.791 -12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 107 115.671 -7.598 -13.736 1.00 0.00 H new ATOM 1729 N VAL A 108 119.007 -4.610 -5.177 1.00 0.00 N ATOM 1730 CA VAL A 108 119.254 -3.623 -4.148 1.00 0.00 C ATOM 1731 C VAL A 108 120.499 -2.799 -4.438 1.00 0.00 C ATOM 1732 O VAL A 108 120.517 -1.580 -4.202 1.00 0.00 O ATOM 1733 CB VAL A 108 119.305 -4.261 -2.756 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.765 -3.267 -1.711 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.925 -4.755 -2.410 1.00 0.00 C ATOM 0 H VAL A 108 119.180 -5.574 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 108 118.410 -2.933 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 108 120.019 -5.085 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.790 -3.751 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.763 -2.908 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 108 119.074 -2.425 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.940 -5.213 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.228 -3.917 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.607 -5.493 -3.147 1.00 0.00 H new ATOM 1745 N TYR A 109 121.518 -3.447 -4.971 1.00 0.00 N ATOM 1746 CA TYR A 109 122.731 -2.756 -5.351 1.00 0.00 C ATOM 1747 C TYR A 109 122.424 -1.636 -6.359 1.00 0.00 C ATOM 1748 O TYR A 109 122.757 -0.481 -6.126 1.00 0.00 O ATOM 1749 CB TYR A 109 123.789 -3.746 -5.908 1.00 0.00 C ATOM 1750 CG TYR A 109 124.938 -3.061 -6.624 1.00 0.00 C ATOM 1751 CD1 TYR A 109 126.065 -2.628 -5.945 1.00 0.00 C ATOM 1752 CD2 TYR A 109 124.856 -2.803 -7.987 1.00 0.00 C ATOM 1753 CE1 TYR A 109 127.067 -1.947 -6.611 1.00 0.00 C ATOM 1754 CE2 TYR A 109 125.847 -2.144 -8.646 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.947 -1.712 -7.964 1.00 0.00 C ATOM 1756 OH TYR A 109 127.912 -0.994 -8.633 1.00 0.00 O ATOM 0 H TYR A 109 121.528 -4.451 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 109 123.154 -2.296 -4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.186 -4.342 -5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.302 -4.437 -6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 109 126.162 -2.824 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.986 -3.133 -8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.938 -1.601 -6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.763 -1.963 -9.707 1.00 0.00 H new ATOM 0 HH TYR A 109 127.494 -0.240 -9.099 1.00 0.00 H new ATOM 1766 N GLN A 110 121.747 -1.985 -7.451 1.00 0.00 N ATOM 1767 CA GLN A 110 121.441 -1.021 -8.509 1.00 0.00 C ATOM 1768 C GLN A 110 120.483 0.043 -8.000 1.00 0.00 C ATOM 1769 O GLN A 110 120.580 1.220 -8.367 1.00 0.00 O ATOM 1770 CB GLN A 110 120.879 -1.754 -9.752 1.00 0.00 C ATOM 1771 CG GLN A 110 119.543 -2.475 -9.554 1.00 0.00 C ATOM 1772 CD GLN A 110 118.313 -1.616 -9.815 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.273 -1.817 -9.205 1.00 0.00 O ATOM 1774 NE2 GLN A 110 118.411 -0.687 -10.725 1.00 0.00 N ATOM 0 H GLN A 110 121.399 -2.928 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 110 122.359 -0.515 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.762 -1.028 -10.557 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.618 -2.483 -10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.512 -3.341 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.497 -2.852 -8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 110 119.294 -0.545 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 110 117.605 -0.102 -10.946 1.00 0.00 H new ATOM 1783 N LEU A 111 119.605 -0.400 -7.121 1.00 0.00 N ATOM 1784 CA LEU A 111 118.570 0.385 -6.501 1.00 0.00 C ATOM 1785 C LEU A 111 119.141 1.591 -5.781 1.00 0.00 C ATOM 1786 O LEU A 111 118.859 2.736 -6.150 1.00 0.00 O ATOM 1787 CB LEU A 111 117.846 -0.509 -5.514 1.00 0.00 C ATOM 1788 CG LEU A 111 116.764 0.094 -4.687 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.545 0.435 -5.536 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.424 -0.830 -3.536 1.00 0.00 C ATOM 0 H LEU A 111 119.600 -1.371 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 111 117.890 0.759 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.416 -1.341 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.589 -0.929 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 111 117.118 1.036 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 111 114.773 0.873 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 111 115.829 1.148 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.161 -0.472 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.632 -0.385 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 111 116.086 -1.790 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.309 -0.981 -2.917 1.00 0.00 H new ATOM 1802 N MET A 112 119.960 1.354 -4.776 1.00 0.00 N ATOM 1803 CA MET A 112 120.507 2.457 -4.032 1.00 0.00 C ATOM 1804 C MET A 112 121.730 3.088 -4.684 1.00 0.00 C ATOM 1805 O MET A 112 122.170 4.150 -4.271 1.00 0.00 O ATOM 1806 CB MET A 112 120.632 2.219 -2.494 1.00 0.00 C ATOM 1807 CG MET A 112 121.151 0.868 -2.032 1.00 0.00 C ATOM 1808 SD MET A 112 122.782 0.512 -2.618 1.00 0.00 S ATOM 1809 CE MET A 112 123.142 -1.010 -1.768 1.00 0.00 C ATOM 0 H MET A 112 120.253 0.428 -4.465 1.00 0.00 H new ATOM 0 HA MET A 112 119.739 3.228 -4.093 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.288 2.988 -2.087 1.00 0.00 H new ATOM 0 HB3 MET A 112 119.649 2.371 -2.049 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.149 0.838 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.471 0.088 -2.374 1.00 0.00 H new ATOM 0 HE1 MET A 112 124.153 -1.334 -2.014 1.00 0.00 H new ATOM 0 HE2 MET A 112 123.063 -0.853 -0.692 1.00 0.00 H new ATOM 0 HE3 MET A 112 122.431 -1.776 -2.076 1.00 0.00 H new ATOM 1819 N GLU A 113 122.242 2.456 -5.737 1.00 0.00 N ATOM 1820 CA GLU A 113 123.314 3.040 -6.541 1.00 0.00 C ATOM 1821 C GLU A 113 122.806 4.316 -7.218 1.00 0.00 C ATOM 1822 O GLU A 113 123.223 5.425 -6.882 1.00 0.00 O ATOM 1823 CB GLU A 113 123.799 2.042 -7.615 1.00 0.00 C ATOM 1824 CG GLU A 113 124.886 2.577 -8.546 1.00 0.00 C ATOM 1825 CD GLU A 113 125.298 1.571 -9.599 1.00 0.00 C ATOM 1826 OE1 GLU A 113 124.500 1.301 -10.522 1.00 0.00 O ATOM 1827 OE2 GLU A 113 126.437 1.051 -9.555 1.00 0.00 O ATOM 0 H GLU A 113 121.932 1.538 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 113 124.152 3.277 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.175 1.149 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.944 1.735 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.527 3.483 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.758 2.858 -7.956 1.00 0.00 H new ATOM 1834 N GLN A 114 121.826 4.152 -8.094 1.00 0.00 N ATOM 1835 CA GLN A 114 121.280 5.254 -8.906 1.00 0.00 C ATOM 1836 C GLN A 114 120.634 6.353 -8.065 1.00 0.00 C ATOM 1837 O GLN A 114 120.387 7.457 -8.554 1.00 0.00 O ATOM 1838 CB GLN A 114 120.304 4.708 -9.949 1.00 0.00 C ATOM 1839 CG GLN A 114 119.196 3.853 -9.359 1.00 0.00 C ATOM 1840 CD GLN A 114 118.350 3.163 -10.403 1.00 0.00 C ATOM 1841 OE1 GLN A 114 118.812 2.861 -11.508 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.137 2.864 -10.061 1.00 0.00 N ATOM 0 H GLN A 114 121.379 3.252 -8.270 1.00 0.00 H new ATOM 0 HA GLN A 114 122.121 5.723 -9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.858 5.543 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.858 4.117 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.637 3.101 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.555 4.479 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 114 116.787 3.128 -9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.532 2.364 -10.712 1.00 0.00 H new ATOM 1851 N ASP A 115 120.356 6.057 -6.824 1.00 0.00 N ATOM 1852 CA ASP A 115 119.795 7.043 -5.934 1.00 0.00 C ATOM 1853 C ASP A 115 120.780 7.473 -4.876 1.00 0.00 C ATOM 1854 O ASP A 115 121.463 8.482 -5.031 1.00 0.00 O ATOM 1855 CB ASP A 115 118.479 6.581 -5.289 1.00 0.00 C ATOM 1856 CG ASP A 115 117.295 6.697 -6.213 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.776 7.810 -6.377 1.00 0.00 O ATOM 1858 OD2 ASP A 115 116.835 5.686 -6.765 1.00 0.00 O ATOM 0 H ASP A 115 120.508 5.140 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 115 119.565 7.907 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 115 118.582 5.544 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.293 7.174 -4.393 1.00 0.00 H new ATOM 1863 N SER A 116 120.930 6.657 -3.869 1.00 0.00 N ATOM 1864 CA SER A 116 121.695 6.982 -2.692 1.00 0.00 C ATOM 1865 C SER A 116 123.193 7.230 -2.964 1.00 0.00 C ATOM 1866 O SER A 116 123.799 8.055 -2.298 1.00 0.00 O ATOM 1867 CB SER A 116 121.480 5.890 -1.656 1.00 0.00 C ATOM 1868 OG SER A 116 120.081 5.706 -1.438 1.00 0.00 O ATOM 0 H SER A 116 120.515 5.726 -3.841 1.00 0.00 H new ATOM 0 HA SER A 116 121.331 7.936 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 116 121.931 4.958 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 116 121.972 6.159 -0.721 1.00 0.00 H new ATOM 0 HG SER A 116 119.944 5.001 -0.771 1.00 0.00 H new ATOM 1874 N TYR A 117 123.770 6.574 -3.970 1.00 0.00 N ATOM 1875 CA TYR A 117 125.198 6.735 -4.258 1.00 0.00 C ATOM 1876 C TYR A 117 125.525 8.157 -4.710 1.00 0.00 C ATOM 1877 O TYR A 117 126.559 8.706 -4.344 1.00 0.00 O ATOM 1878 CB TYR A 117 125.637 5.691 -5.279 1.00 0.00 C ATOM 1879 CG TYR A 117 127.038 5.810 -5.844 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.161 5.881 -5.025 1.00 0.00 C ATOM 1881 CD2 TYR A 117 127.228 5.826 -7.217 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.426 5.967 -5.570 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.484 5.907 -7.761 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.575 5.975 -6.939 1.00 0.00 C ATOM 1885 OH TYR A 117 130.817 6.059 -7.485 1.00 0.00 O ATOM 0 H TYR A 117 123.279 5.933 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 117 125.762 6.572 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.543 4.708 -4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.935 5.720 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.041 5.869 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.370 5.774 -7.871 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.292 6.028 -4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.611 5.917 -8.833 1.00 0.00 H new ATOM 0 HH TYR A 117 131.465 5.626 -6.891 1.00 0.00 H new ATOM 1895 N THR A 118 124.624 8.761 -5.451 1.00 0.00 N ATOM 1896 CA THR A 118 124.840 10.121 -5.930 1.00 0.00 C ATOM 1897 C THR A 118 124.825 11.113 -4.736 1.00 0.00 C ATOM 1898 O THR A 118 125.735 11.961 -4.570 1.00 0.00 O ATOM 1899 CB THR A 118 123.788 10.519 -7.008 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.454 10.469 -6.462 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.869 9.579 -8.212 1.00 0.00 C ATOM 0 H THR A 118 123.739 8.342 -5.737 1.00 0.00 H new ATOM 0 HA THR A 118 125.819 10.166 -6.407 1.00 0.00 H new ATOM 0 HB THR A 118 124.009 11.537 -7.327 1.00 0.00 H new ATOM 0 HG1 THR A 118 122.265 9.562 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 118 123.127 9.873 -8.954 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.864 9.637 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.674 8.556 -7.889 1.00 0.00 H new ATOM 1909 N ARG A 119 123.823 10.949 -3.879 1.00 0.00 N ATOM 1910 CA ARG A 119 123.687 11.730 -2.659 1.00 0.00 C ATOM 1911 C ARG A 119 124.896 11.494 -1.763 1.00 0.00 C ATOM 1912 O ARG A 119 125.433 12.428 -1.181 1.00 0.00 O ATOM 1913 CB ARG A 119 122.398 11.348 -1.930 1.00 0.00 C ATOM 1914 CG ARG A 119 121.123 11.654 -2.695 1.00 0.00 C ATOM 1915 CD ARG A 119 120.638 13.101 -2.539 1.00 0.00 C ATOM 1916 NE ARG A 119 121.638 14.134 -2.875 1.00 0.00 N ATOM 1917 CZ ARG A 119 121.538 15.001 -3.897 1.00 0.00 C ATOM 1918 NH1 ARG A 119 120.617 14.832 -4.852 1.00 0.00 N ATOM 1919 NH2 ARG A 119 122.364 16.039 -3.960 1.00 0.00 N ATOM 0 H ARG A 119 123.078 10.265 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 119 123.637 12.789 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.425 10.281 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.368 11.872 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.287 11.448 -3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 119 120.337 10.979 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.762 13.245 -3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.315 13.251 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 119 122.469 14.194 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.979 14.037 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 119 120.552 15.498 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 119 123.069 16.174 -3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 119 122.293 16.701 -4.733 1.00 0.00 H new ATOM 1933 N PHE A 120 125.333 10.239 -1.693 1.00 0.00 N ATOM 1934 CA PHE A 120 126.527 9.859 -0.958 1.00 0.00 C ATOM 1935 C PHE A 120 127.730 10.629 -1.455 1.00 0.00 C ATOM 1936 O PHE A 120 128.485 11.162 -0.668 1.00 0.00 O ATOM 1937 CB PHE A 120 126.783 8.344 -1.054 1.00 0.00 C ATOM 1938 CG PHE A 120 128.152 7.916 -0.586 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.470 7.856 0.762 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.130 7.592 -1.512 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.738 7.478 1.168 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.387 7.220 -1.108 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.692 7.162 0.232 1.00 0.00 C ATOM 0 H PHE A 120 124.863 9.456 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 120 126.364 10.108 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.030 7.822 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.651 8.030 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.723 8.106 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.900 7.633 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.977 7.432 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.138 6.972 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.682 6.868 0.548 1.00 0.00 H new ATOM 1953 N LEU A 121 127.878 10.724 -2.755 1.00 0.00 N ATOM 1954 CA LEU A 121 128.997 11.442 -3.335 1.00 0.00 C ATOM 1955 C LEU A 121 128.993 12.914 -2.944 1.00 0.00 C ATOM 1956 O LEU A 121 130.039 13.550 -2.886 1.00 0.00 O ATOM 1957 CB LEU A 121 129.050 11.266 -4.854 1.00 0.00 C ATOM 1958 CG LEU A 121 129.320 9.838 -5.329 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.325 9.765 -6.847 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.639 9.337 -4.765 1.00 0.00 C ATOM 0 H LEU A 121 127.238 10.314 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 121 129.906 11.004 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.103 11.601 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.826 11.919 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 121 128.518 9.196 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.519 8.740 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.356 10.085 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.104 10.418 -7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.819 8.319 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.448 9.984 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.597 9.348 -3.676 1.00 0.00 H new ATOM 1972 N LYS A 122 127.834 13.448 -2.652 1.00 0.00 N ATOM 1973 CA LYS A 122 127.767 14.827 -2.225 1.00 0.00 C ATOM 1974 C LYS A 122 127.456 14.942 -0.698 1.00 0.00 C ATOM 1975 O LYS A 122 127.196 16.033 -0.179 1.00 0.00 O ATOM 1976 CB LYS A 122 126.746 15.580 -3.092 1.00 0.00 C ATOM 1977 CG LYS A 122 126.881 17.095 -3.045 1.00 0.00 C ATOM 1978 CD LYS A 122 128.280 17.544 -3.463 1.00 0.00 C ATOM 1979 CE LYS A 122 128.605 17.130 -4.887 1.00 0.00 C ATOM 1980 NZ LYS A 122 129.947 17.577 -5.309 1.00 0.00 N ATOM 0 H LYS A 122 126.938 12.962 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 122 128.742 15.293 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.851 15.250 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.741 15.306 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.140 17.548 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.670 17.449 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.355 18.628 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.017 17.116 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.543 16.045 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 122 127.857 17.545 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.123 17.271 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 130.000 18.614 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 130.665 17.161 -4.682 1.00 0.00 H new ATOM 1994 N SER A 123 127.496 13.820 0.004 1.00 0.00 N ATOM 1995 CA SER A 123 127.265 13.801 1.450 1.00 0.00 C ATOM 1996 C SER A 123 128.523 14.245 2.188 1.00 0.00 C ATOM 1997 O SER A 123 129.635 14.177 1.637 1.00 0.00 O ATOM 1998 CB SER A 123 126.911 12.389 1.930 1.00 0.00 C ATOM 1999 OG SER A 123 128.049 11.522 1.849 1.00 0.00 O ATOM 0 H SER A 123 127.687 12.904 -0.402 1.00 0.00 H new ATOM 0 HA SER A 123 126.438 14.480 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.552 12.429 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.099 11.987 1.324 1.00 0.00 H new ATOM 0 HG SER A 123 128.038 11.047 0.992 1.00 0.00 H new ATOM 2005 N ASP A 124 128.362 14.622 3.444 1.00 0.00 N ATOM 2006 CA ASP A 124 129.488 15.055 4.265 1.00 0.00 C ATOM 2007 C ASP A 124 130.465 13.918 4.543 1.00 0.00 C ATOM 2008 O ASP A 124 131.646 14.173 4.759 1.00 0.00 O ATOM 2009 CB ASP A 124 129.059 15.746 5.586 1.00 0.00 C ATOM 2010 CG ASP A 124 128.244 14.874 6.529 1.00 0.00 C ATOM 2011 OD1 ASP A 124 128.795 13.928 7.125 1.00 0.00 O ATOM 2012 OD2 ASP A 124 127.022 15.121 6.692 1.00 0.00 O ATOM 0 H ASP A 124 127.461 14.638 3.922 1.00 0.00 H new ATOM 0 HA ASP A 124 130.003 15.809 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.953 16.084 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 124 128.477 16.635 5.342 1.00 0.00 H new ATOM 2017 N ILE A 125 130.001 12.659 4.504 1.00 0.00 N ATOM 2018 CA ILE A 125 130.911 11.553 4.741 1.00 0.00 C ATOM 2019 C ILE A 125 131.863 11.390 3.566 1.00 0.00 C ATOM 2020 O ILE A 125 133.081 11.344 3.755 1.00 0.00 O ATOM 2021 CB ILE A 125 130.216 10.177 5.133 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.267 9.102 5.441 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.304 9.649 4.044 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.206 9.450 6.559 1.00 0.00 C ATOM 0 H ILE A 125 129.033 12.397 4.317 1.00 0.00 H new ATOM 0 HA ILE A 125 131.477 11.825 5.632 1.00 0.00 H new ATOM 0 HB ILE A 125 129.615 10.390 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 125 130.755 8.172 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 125 131.850 8.913 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 125 128.858 8.709 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 125 128.516 10.375 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 125 129.881 9.483 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 125 132.914 8.634 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 125 132.750 10.361 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 125 131.638 9.608 7.476 1.00 0.00 H new ATOM 2036 N TYR A 126 131.333 11.384 2.349 1.00 0.00 N ATOM 2037 CA TYR A 126 132.192 11.204 1.198 1.00 0.00 C ATOM 2038 C TYR A 126 133.031 12.447 0.946 1.00 0.00 C ATOM 2039 O TYR A 126 134.194 12.349 0.555 1.00 0.00 O ATOM 2040 CB TYR A 126 131.415 10.782 -0.048 1.00 0.00 C ATOM 2041 CG TYR A 126 132.287 10.564 -1.269 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.073 9.425 -1.396 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.348 11.511 -2.268 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.881 9.240 -2.496 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.148 11.343 -3.360 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.910 10.210 -3.479 1.00 0.00 C ATOM 2047 OH TYR A 126 134.720 10.055 -4.579 1.00 0.00 O ATOM 0 H TYR A 126 130.341 11.499 2.142 1.00 0.00 H new ATOM 0 HA TYR A 126 132.871 10.383 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.872 9.862 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.671 11.545 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.050 8.674 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.749 12.406 -2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.484 8.349 -2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.181 12.101 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 126 135.300 9.275 -4.451 1.00 0.00 H new ATOM 2057 N LEU A 127 132.463 13.609 1.205 1.00 0.00 N ATOM 2058 CA LEU A 127 133.191 14.850 1.034 1.00 0.00 C ATOM 2059 C LEU A 127 134.343 14.957 2.043 1.00 0.00 C ATOM 2060 O LEU A 127 135.401 15.483 1.722 1.00 0.00 O ATOM 2061 CB LEU A 127 132.251 16.067 1.066 1.00 0.00 C ATOM 2062 CG LEU A 127 131.244 16.149 -0.090 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.323 17.336 0.076 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.952 16.217 -1.431 1.00 0.00 C ATOM 0 H LEU A 127 131.504 13.719 1.533 1.00 0.00 H new ATOM 0 HA LEU A 127 133.643 14.844 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.700 16.055 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.857 16.973 1.063 1.00 0.00 H new ATOM 0 HG LEU A 127 130.643 15.240 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.620 17.370 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.773 17.241 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 127 130.911 18.254 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.213 16.274 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.589 17.101 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.563 15.325 -1.565 1.00 0.00 H new ATOM 2076 N ASP A 128 134.166 14.388 3.235 1.00 0.00 N ATOM 2077 CA ASP A 128 135.258 14.353 4.219 1.00 0.00 C ATOM 2078 C ASP A 128 136.380 13.453 3.735 1.00 0.00 C ATOM 2079 O ASP A 128 137.557 13.722 3.979 1.00 0.00 O ATOM 2080 CB ASP A 128 134.788 13.878 5.588 1.00 0.00 C ATOM 2081 CG ASP A 128 135.925 13.814 6.591 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.447 14.869 6.997 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.333 12.708 6.977 1.00 0.00 O ATOM 0 H ASP A 128 133.297 13.952 3.543 1.00 0.00 H new ATOM 0 HA ASP A 128 135.620 15.376 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.015 14.551 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.333 12.892 5.493 1.00 0.00 H new ATOM 2088 N LEU A 129 136.010 12.390 3.027 1.00 0.00 N ATOM 2089 CA LEU A 129 136.997 11.472 2.462 1.00 0.00 C ATOM 2090 C LEU A 129 137.786 12.216 1.387 1.00 0.00 C ATOM 2091 O LEU A 129 138.977 11.981 1.199 1.00 0.00 O ATOM 2092 CB LEU A 129 136.322 10.243 1.830 1.00 0.00 C ATOM 2093 CG LEU A 129 135.245 9.545 2.667 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.588 8.450 1.868 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.811 8.983 3.965 1.00 0.00 C ATOM 0 H LEU A 129 135.040 12.143 2.831 1.00 0.00 H new ATOM 0 HA LEU A 129 137.652 11.125 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.874 10.549 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.096 9.513 1.594 1.00 0.00 H new ATOM 0 HG LEU A 129 134.498 10.294 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.825 7.963 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.125 8.877 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.338 7.717 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.015 8.497 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.591 8.256 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.233 9.794 4.559 1.00 0.00 H new ATOM 2107 N MET A 130 137.091 13.124 0.703 1.00 0.00 N ATOM 2108 CA MET A 130 137.673 13.971 -0.337 1.00 0.00 C ATOM 2109 C MET A 130 138.666 14.934 0.269 1.00 0.00 C ATOM 2110 O MET A 130 139.734 15.166 -0.287 1.00 0.00 O ATOM 2111 CB MET A 130 136.585 14.792 -1.063 1.00 0.00 C ATOM 2112 CG MET A 130 135.504 14.022 -1.832 1.00 0.00 C ATOM 2113 SD MET A 130 136.116 13.102 -3.256 1.00 0.00 S ATOM 2114 CE MET A 130 136.949 11.738 -2.460 1.00 0.00 C ATOM 0 H MET A 130 136.097 13.294 0.857 1.00 0.00 H new ATOM 0 HA MET A 130 138.168 13.314 -1.052 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.088 15.418 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.083 15.462 -1.764 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.015 13.328 -1.149 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.744 14.727 -2.169 1.00 0.00 H new ATOM 0 HE1 MET A 130 136.729 10.815 -2.996 1.00 0.00 H new ATOM 0 HE2 MET A 130 138.025 11.914 -2.467 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.602 11.651 -1.430 1.00 0.00 H new