USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=36 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 97 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 SER OG : rot -110:sc= 1.02 USER MOD Set 2.1: A 73 THR OG1 : rot -158:sc= 0.841 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 179:sc= 0.952 (180deg=0) USER MOD Set 3.1: A 47 CYS SG : rot -134:sc= -0.544 USER MOD Set 3.2: A 99 HIS : +bothHN:sc= 1.17 K(o=1.1,f=-7.9!) USER MOD Set 3.3: A 105 GLN : amide:sc= 0.497 K(o=1.1,f=-7.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.191 USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= -0.0142 (180deg=-0.212) USER MOD Single : A 20 SER OG : rot 101:sc= 1.26 USER MOD Single : A 21 HIS : no HE2:sc= 0.262 K(o=0.26,f=-2.4!) USER MOD Single : A 29 THR OG1 : rot -178:sc= -0.932 USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= 2.29 (180deg=-0.476) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00867 K(o=-0.0087,f=-0.98) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.81) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 85:sc= 0.685 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.51 K(o=-1.5,f=-4.4!) USER MOD Single : A 58 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.106 F(o=-1.8,f=0.11) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.14) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.542) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.865 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0364 K(o=-0.036,f=-0.7) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.07) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -100:sc= 0.724 USER MOD Single : A 90 THR OG1 : rot -16:sc= 0.771 USER MOD Single : A 91 ASN : amide:sc=-0.00512 X(o=-0.0051,f=-0.41) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 106 SER OG : rot 75:sc= 0.099 USER MOD Single : A 109 TYR OH : rot 120:sc= -1.26 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 112 MET CE :methyl -165:sc= -1.4 (180deg=-1.91) USER MOD Single : A 114 GLN : amide:sc=-0.00635 K(o=-0.0063,f=-0.93) USER MOD Single : A 116 SER OG : rot 9:sc= 0.949 USER MOD Single : A 117 TYR OH : rot -140:sc= 0.72 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.011) USER MOD Single : A 123 SER OG : rot -98:sc= 0.933 USER MOD Single : A 126 TYR OH : rot 46:sc= -0.515! USER MOD Single : A 130 MET CE :methyl 158:sc= -5.28! (180deg=-7.07!) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.599 7.083 3.052 1.00 0.00 N ATOM 32 CA VAL A 3 141.322 7.165 1.643 1.00 0.00 C ATOM 33 C VAL A 3 141.712 8.522 1.114 1.00 0.00 C ATOM 34 O VAL A 3 141.156 9.543 1.509 1.00 0.00 O ATOM 35 CB VAL A 3 139.842 6.774 1.262 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.828 7.545 2.055 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.574 7.001 -0.215 1.00 0.00 C ATOM 0 HA VAL A 3 141.938 6.412 1.153 1.00 0.00 H new ATOM 0 HB VAL A 3 139.742 5.715 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.825 7.241 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.967 7.344 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.954 8.611 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.546 6.722 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.727 8.053 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.257 6.391 -0.807 1.00 0.00 H new ATOM 47 N SER A 4 142.728 8.533 0.299 1.00 0.00 N ATOM 48 CA SER A 4 143.178 9.730 -0.343 1.00 0.00 C ATOM 49 C SER A 4 142.144 10.158 -1.388 1.00 0.00 C ATOM 50 O SER A 4 141.365 9.320 -1.873 1.00 0.00 O ATOM 51 CB SER A 4 144.542 9.469 -0.985 1.00 0.00 C ATOM 52 OG SER A 4 145.464 8.978 -0.016 1.00 0.00 O ATOM 0 H SER A 4 143.271 7.703 0.061 1.00 0.00 H new ATOM 0 HA SER A 4 143.287 10.537 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.437 8.747 -1.795 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.925 10.389 -1.426 1.00 0.00 H new ATOM 0 HG SER A 4 146.331 8.814 -0.443 1.00 0.00 H new ATOM 58 N PRO A 5 142.102 11.463 -1.736 1.00 0.00 N ATOM 59 CA PRO A 5 141.174 12.014 -2.734 1.00 0.00 C ATOM 60 C PRO A 5 141.196 11.239 -4.042 1.00 0.00 C ATOM 61 O PRO A 5 140.187 11.136 -4.709 1.00 0.00 O ATOM 62 CB PRO A 5 141.678 13.447 -2.955 1.00 0.00 C ATOM 63 CG PRO A 5 143.010 13.492 -2.288 1.00 0.00 C ATOM 64 CD PRO A 5 142.932 12.522 -1.166 1.00 0.00 C ATOM 0 HA PRO A 5 140.141 11.962 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 5 141.760 13.678 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 5 140.994 14.177 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.805 13.223 -2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.231 14.495 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 5 143.916 12.156 -0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 5 142.479 12.962 -0.277 1.00 0.00 H new ATOM 72 N GLU A 6 142.343 10.661 -4.360 1.00 0.00 N ATOM 73 CA GLU A 6 142.514 9.853 -5.567 1.00 0.00 C ATOM 74 C GLU A 6 141.610 8.622 -5.539 1.00 0.00 C ATOM 75 O GLU A 6 140.822 8.380 -6.468 1.00 0.00 O ATOM 76 CB GLU A 6 143.969 9.433 -5.706 1.00 0.00 C ATOM 77 CG GLU A 6 144.900 10.579 -6.017 1.00 0.00 C ATOM 78 CD GLU A 6 144.562 11.224 -7.335 1.00 0.00 C ATOM 79 OE1 GLU A 6 144.835 10.609 -8.389 1.00 0.00 O ATOM 80 OE2 GLU A 6 144.040 12.353 -7.348 1.00 0.00 O ATOM 0 H GLU A 6 143.186 10.736 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 6 142.230 10.459 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.291 8.955 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.049 8.686 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.842 11.322 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 6 145.928 10.218 -6.041 1.00 0.00 H new ATOM 87 N GLU A 7 141.701 7.878 -4.461 1.00 0.00 N ATOM 88 CA GLU A 7 140.896 6.700 -4.271 1.00 0.00 C ATOM 89 C GLU A 7 139.429 7.119 -4.140 1.00 0.00 C ATOM 90 O GLU A 7 138.555 6.521 -4.742 1.00 0.00 O ATOM 91 CB GLU A 7 141.387 5.949 -3.023 1.00 0.00 C ATOM 92 CG GLU A 7 140.700 4.621 -2.725 1.00 0.00 C ATOM 93 CD GLU A 7 140.840 3.595 -3.829 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.916 3.520 -4.468 1.00 0.00 O ATOM 95 OE2 GLU A 7 139.879 2.843 -4.071 1.00 0.00 O ATOM 0 H GLU A 7 142.339 8.076 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 7 140.984 6.027 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.456 5.765 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.262 6.601 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.113 4.208 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.641 4.804 -2.545 1.00 0.00 H new ATOM 102 N ALA A 8 139.188 8.209 -3.409 1.00 0.00 N ATOM 103 CA ALA A 8 137.841 8.702 -3.211 1.00 0.00 C ATOM 104 C ALA A 8 137.179 9.127 -4.542 1.00 0.00 C ATOM 105 O ALA A 8 136.104 8.674 -4.830 1.00 0.00 O ATOM 106 CB ALA A 8 137.778 9.794 -2.133 1.00 0.00 C ATOM 0 H ALA A 8 139.912 8.760 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 8 137.247 7.871 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 8 136.749 10.134 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.134 9.391 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.406 10.634 -2.429 1.00 0.00 H new ATOM 112 N VAL A 9 137.811 9.998 -5.353 1.00 0.00 N ATOM 113 CA VAL A 9 137.259 10.341 -6.697 1.00 0.00 C ATOM 114 C VAL A 9 137.029 9.093 -7.562 1.00 0.00 C ATOM 115 O VAL A 9 136.142 9.080 -8.418 1.00 0.00 O ATOM 116 CB VAL A 9 138.121 11.370 -7.525 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.310 12.686 -6.797 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.462 10.794 -7.969 1.00 0.00 C ATOM 0 H VAL A 9 138.683 10.472 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 9 136.310 10.824 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 9 137.544 11.574 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 9 138.910 13.358 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.337 13.140 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 9 138.819 12.508 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.012 11.546 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.041 10.504 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.292 9.920 -8.598 1.00 0.00 H new ATOM 128 N LYS A 10 137.813 8.055 -7.329 1.00 0.00 N ATOM 129 CA LYS A 10 137.705 6.836 -8.095 1.00 0.00 C ATOM 130 C LYS A 10 136.452 6.042 -7.693 1.00 0.00 C ATOM 131 O LYS A 10 135.892 5.308 -8.499 1.00 0.00 O ATOM 132 CB LYS A 10 138.971 5.995 -7.932 1.00 0.00 C ATOM 133 CG LYS A 10 139.412 5.303 -9.212 1.00 0.00 C ATOM 134 CD LYS A 10 139.719 6.332 -10.303 1.00 0.00 C ATOM 135 CE LYS A 10 140.843 7.281 -9.891 1.00 0.00 C ATOM 136 NZ LYS A 10 141.065 8.336 -10.899 1.00 0.00 N ATOM 0 H LYS A 10 138.535 8.037 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 10 137.602 7.097 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.779 6.635 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.800 5.242 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.296 4.696 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 10 138.630 4.625 -9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.998 5.815 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 10 138.820 6.908 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 10 140.599 7.739 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.763 6.715 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 141.835 8.960 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 141.322 7.900 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 140.194 8.893 -11.017 1.00 0.00 H new ATOM 150 N TRP A 11 136.002 6.215 -6.452 1.00 0.00 N ATOM 151 CA TRP A 11 134.767 5.563 -5.983 1.00 0.00 C ATOM 152 C TRP A 11 133.569 6.224 -6.636 1.00 0.00 C ATOM 153 O TRP A 11 132.560 5.586 -6.898 1.00 0.00 O ATOM 154 CB TRP A 11 134.580 5.683 -4.461 1.00 0.00 C ATOM 155 CG TRP A 11 135.636 5.074 -3.601 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.648 4.259 -3.987 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.747 5.215 -2.179 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.409 3.911 -2.911 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.869 4.479 -1.779 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.001 5.909 -1.206 1.00 0.00 C ATOM 161 CZ2 TRP A 11 137.271 4.407 -0.450 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.394 5.832 0.119 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.522 5.085 0.482 1.00 0.00 C ATOM 0 H TRP A 11 136.465 6.795 -5.753 1.00 0.00 H new ATOM 0 HA TRP A 11 134.848 4.509 -6.248 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.507 6.741 -4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.625 5.227 -4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.826 3.932 -5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 11 138.243 3.325 -2.940 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.137 6.491 -1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 138.142 3.838 -0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.827 6.351 0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.811 5.041 1.522 1.00 0.00 H new ATOM 174 N GLY A 12 133.730 7.507 -6.941 1.00 0.00 N ATOM 175 CA GLY A 12 132.662 8.323 -7.489 1.00 0.00 C ATOM 176 C GLY A 12 132.195 7.883 -8.853 1.00 0.00 C ATOM 177 O GLY A 12 131.100 8.255 -9.296 1.00 0.00 O ATOM 0 H GLY A 12 134.609 8.008 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 12 131.815 8.305 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.002 9.357 -7.548 1.00 0.00 H new ATOM 181 N GLU A 13 132.988 7.088 -9.507 1.00 0.00 N ATOM 182 CA GLU A 13 132.637 6.584 -10.805 1.00 0.00 C ATOM 183 C GLU A 13 132.363 5.081 -10.756 1.00 0.00 C ATOM 184 O GLU A 13 132.080 4.463 -11.787 1.00 0.00 O ATOM 185 CB GLU A 13 133.748 6.880 -11.808 1.00 0.00 C ATOM 186 CG GLU A 13 135.111 6.379 -11.372 1.00 0.00 C ATOM 187 CD GLU A 13 136.152 6.537 -12.431 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.615 7.666 -12.664 1.00 0.00 O ATOM 189 OE2 GLU A 13 136.537 5.526 -13.050 1.00 0.00 O ATOM 0 H GLU A 13 133.893 6.770 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 13 131.725 7.088 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 13 133.492 6.425 -12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 13 133.801 7.956 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.423 6.920 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.035 5.327 -11.097 1.00 0.00 H new ATOM 196 N SER A 14 132.446 4.479 -9.583 1.00 0.00 N ATOM 197 CA SER A 14 132.274 3.043 -9.467 1.00 0.00 C ATOM 198 C SER A 14 131.782 2.635 -8.060 1.00 0.00 C ATOM 199 O SER A 14 132.582 2.479 -7.128 1.00 0.00 O ATOM 200 CB SER A 14 133.595 2.317 -9.811 1.00 0.00 C ATOM 201 OG SER A 14 134.068 2.677 -11.121 1.00 0.00 O ATOM 0 H SER A 14 132.630 4.959 -8.702 1.00 0.00 H new ATOM 0 HA SER A 14 131.506 2.743 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.353 2.566 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.443 1.239 -9.761 1.00 0.00 H new ATOM 0 HG SER A 14 134.905 2.203 -11.308 1.00 0.00 H new ATOM 207 N PHE A 15 130.469 2.478 -7.922 1.00 0.00 N ATOM 208 CA PHE A 15 129.832 2.054 -6.672 1.00 0.00 C ATOM 209 C PHE A 15 130.375 0.707 -6.201 1.00 0.00 C ATOM 210 O PHE A 15 130.533 0.487 -5.005 1.00 0.00 O ATOM 211 CB PHE A 15 128.292 2.000 -6.832 1.00 0.00 C ATOM 212 CG PHE A 15 127.524 1.573 -5.588 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.692 2.232 -4.381 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.624 0.528 -5.639 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.981 1.854 -3.254 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.914 0.149 -4.513 1.00 0.00 C ATOM 217 CZ PHE A 15 126.094 0.813 -3.327 1.00 0.00 C ATOM 0 H PHE A 15 129.807 2.642 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 15 130.072 2.794 -5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.940 2.986 -7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 15 128.051 1.312 -7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.389 3.054 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.472 -0.000 -6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.126 2.378 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 15 125.216 -0.673 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.537 0.515 -2.451 1.00 0.00 H new ATOM 227 N ASP A 16 130.699 -0.181 -7.137 1.00 0.00 N ATOM 228 CA ASP A 16 131.241 -1.485 -6.757 1.00 0.00 C ATOM 229 C ASP A 16 132.621 -1.328 -6.145 1.00 0.00 C ATOM 230 O ASP A 16 132.961 -2.037 -5.220 1.00 0.00 O ATOM 231 CB ASP A 16 131.277 -2.517 -7.915 1.00 0.00 C ATOM 232 CG ASP A 16 132.337 -2.266 -8.975 1.00 0.00 C ATOM 233 OD1 ASP A 16 133.497 -2.699 -8.784 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.016 -1.674 -10.026 1.00 0.00 O ATOM 0 H ASP A 16 130.600 -0.029 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 16 130.551 -1.890 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 16 131.438 -3.508 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.300 -2.531 -8.398 1.00 0.00 H new ATOM 239 N LYS A 17 133.385 -0.354 -6.626 1.00 0.00 N ATOM 240 CA LYS A 17 134.721 -0.077 -6.097 1.00 0.00 C ATOM 241 C LYS A 17 134.597 0.428 -4.676 1.00 0.00 C ATOM 242 O LYS A 17 135.272 -0.047 -3.763 1.00 0.00 O ATOM 243 CB LYS A 17 135.429 0.968 -6.963 1.00 0.00 C ATOM 244 CG LYS A 17 136.714 1.495 -6.355 1.00 0.00 C ATOM 245 CD LYS A 17 137.401 2.514 -7.247 1.00 0.00 C ATOM 246 CE LYS A 17 137.848 1.918 -8.575 1.00 0.00 C ATOM 247 NZ LYS A 17 138.776 0.781 -8.394 1.00 0.00 N ATOM 0 H LYS A 17 133.102 0.263 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 17 135.311 -0.993 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.651 0.530 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.750 1.803 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.496 1.950 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.393 0.663 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.721 3.344 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.267 2.923 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.974 1.585 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.334 2.690 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.574 0.876 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 139.133 0.777 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.274 -0.110 -8.583 1.00 0.00 H new ATOM 261 N LEU A 18 133.688 1.360 -4.518 1.00 0.00 N ATOM 262 CA LEU A 18 133.346 1.970 -3.258 1.00 0.00 C ATOM 263 C LEU A 18 132.985 0.901 -2.239 1.00 0.00 C ATOM 264 O LEU A 18 133.529 0.844 -1.145 1.00 0.00 O ATOM 265 CB LEU A 18 132.127 2.860 -3.525 1.00 0.00 C ATOM 266 CG LEU A 18 131.343 3.385 -2.332 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.158 4.343 -1.520 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.093 4.047 -2.813 1.00 0.00 C ATOM 0 H LEU A 18 133.144 1.729 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 18 134.183 2.544 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.463 3.719 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.437 2.299 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 18 131.088 2.543 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.567 4.699 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 18 133.051 3.839 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.450 5.190 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.529 4.424 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.351 4.876 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.486 3.325 -3.358 1.00 0.00 H new ATOM 280 N LEU A 19 132.123 0.032 -2.661 1.00 0.00 N ATOM 281 CA LEU A 19 131.536 -0.980 -1.839 1.00 0.00 C ATOM 282 C LEU A 19 132.517 -2.138 -1.557 1.00 0.00 C ATOM 283 O LEU A 19 132.402 -2.829 -0.543 1.00 0.00 O ATOM 284 CB LEU A 19 130.305 -1.463 -2.571 1.00 0.00 C ATOM 285 CG LEU A 19 129.156 -1.980 -1.749 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.740 -0.928 -0.715 1.00 0.00 C ATOM 287 CD2 LEU A 19 128.009 -2.262 -2.694 1.00 0.00 C ATOM 0 H LEU A 19 131.795 0.006 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 19 131.277 -0.576 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.935 -0.640 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.611 -2.255 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 19 129.442 -2.887 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.908 -1.309 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 19 129.582 -0.710 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 19 128.434 -0.016 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 19 127.157 -2.640 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.726 -1.343 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 128.317 -3.007 -3.428 1.00 0.00 H new ATOM 299 N SER A 20 133.487 -2.334 -2.441 1.00 0.00 N ATOM 300 CA SER A 20 134.479 -3.391 -2.260 1.00 0.00 C ATOM 301 C SER A 20 135.668 -2.870 -1.451 1.00 0.00 C ATOM 302 O SER A 20 136.612 -3.602 -1.150 1.00 0.00 O ATOM 303 CB SER A 20 134.952 -3.928 -3.610 1.00 0.00 C ATOM 304 OG SER A 20 133.848 -4.368 -4.402 1.00 0.00 O ATOM 0 H SER A 20 133.610 -1.779 -3.288 1.00 0.00 H new ATOM 0 HA SER A 20 134.011 -4.208 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 20 135.499 -3.150 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 20 135.644 -4.755 -3.454 1.00 0.00 H new ATOM 0 HG SER A 20 133.625 -3.680 -5.063 1.00 0.00 H new ATOM 310 N HIS A 21 135.621 -1.614 -1.121 1.00 0.00 N ATOM 311 CA HIS A 21 136.629 -1.000 -0.315 1.00 0.00 C ATOM 312 C HIS A 21 135.999 -0.884 1.046 1.00 0.00 C ATOM 313 O HIS A 21 134.892 -0.377 1.136 1.00 0.00 O ATOM 314 CB HIS A 21 136.930 0.403 -0.857 1.00 0.00 C ATOM 315 CG HIS A 21 138.368 0.834 -0.778 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.950 1.438 0.321 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.328 0.796 -1.717 1.00 0.00 C ATOM 318 CE1 HIS A 21 140.188 1.761 0.034 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.443 1.375 -1.190 1.00 0.00 N ATOM 0 H HIS A 21 134.874 -0.982 -1.408 1.00 0.00 H new ATOM 0 HA HIS A 21 137.561 -1.565 -0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.613 0.446 -1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 21 136.323 1.123 -0.309 1.00 0.00 H new ATOM 0 HD1 HIS A 21 138.489 1.606 1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.233 0.382 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.880 2.261 0.696 1.00 0.00 H new ATOM 328 N ARG A 22 136.659 -1.343 2.090 1.00 0.00 N ATOM 329 CA ARG A 22 136.059 -1.307 3.439 1.00 0.00 C ATOM 330 C ARG A 22 135.716 0.106 3.807 1.00 0.00 C ATOM 331 O ARG A 22 134.645 0.378 4.275 1.00 0.00 O ATOM 332 CB ARG A 22 136.983 -1.865 4.509 1.00 0.00 C ATOM 333 CG ARG A 22 137.403 -3.303 4.331 1.00 0.00 C ATOM 334 CD ARG A 22 138.182 -3.761 5.549 1.00 0.00 C ATOM 335 NE ARG A 22 139.342 -2.898 5.822 1.00 0.00 N ATOM 336 CZ ARG A 22 139.753 -2.525 7.050 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.010 -2.799 8.121 1.00 0.00 N ATOM 338 NH2 ARG A 22 140.872 -1.835 7.193 1.00 0.00 N ATOM 0 H ARG A 22 137.597 -1.742 2.049 1.00 0.00 H new ATOM 0 HA ARG A 22 135.167 -1.932 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.880 -1.247 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.489 -1.768 5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.525 -3.934 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 22 138.016 -3.405 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.524 -3.768 6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 22 138.521 -4.786 5.397 1.00 0.00 H new ATOM 0 HE ARG A 22 139.875 -2.557 5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 22 138.124 -3.294 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 22 139.327 -2.514 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 22 141.425 -1.585 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 22 141.182 -1.553 8.123 1.00 0.00 H new ATOM 352 N ASP A 23 136.638 0.997 3.517 1.00 0.00 N ATOM 353 CA ASP A 23 136.513 2.430 3.794 1.00 0.00 C ATOM 354 C ASP A 23 135.312 3.010 3.070 1.00 0.00 C ATOM 355 O ASP A 23 134.654 3.910 3.565 1.00 0.00 O ATOM 356 CB ASP A 23 137.762 3.161 3.297 1.00 0.00 C ATOM 357 CG ASP A 23 139.031 2.455 3.668 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.340 1.435 3.016 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.731 2.878 4.597 1.00 0.00 O ATOM 0 H ASP A 23 137.521 0.750 3.071 1.00 0.00 H new ATOM 0 HA ASP A 23 136.393 2.558 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.711 3.263 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.777 4.169 3.712 1.00 0.00 H new ATOM 364 N GLY A 24 135.021 2.469 1.906 1.00 0.00 N ATOM 365 CA GLY A 24 133.937 2.970 1.108 1.00 0.00 C ATOM 366 C GLY A 24 132.646 2.392 1.532 1.00 0.00 C ATOM 367 O GLY A 24 131.652 3.096 1.637 1.00 0.00 O ATOM 0 H GLY A 24 135.524 1.682 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.895 4.056 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.116 2.735 0.059 1.00 0.00 H new ATOM 371 N LEU A 25 132.664 1.102 1.772 1.00 0.00 N ATOM 372 CA LEU A 25 131.550 0.395 2.333 1.00 0.00 C ATOM 373 C LEU A 25 131.137 1.067 3.624 1.00 0.00 C ATOM 374 O LEU A 25 129.973 1.334 3.840 1.00 0.00 O ATOM 375 CB LEU A 25 131.931 -1.101 2.515 1.00 0.00 C ATOM 376 CG LEU A 25 131.277 -1.896 3.661 1.00 0.00 C ATOM 377 CD1 LEU A 25 131.192 -3.363 3.272 1.00 0.00 C ATOM 378 CD2 LEU A 25 132.141 -1.778 4.929 1.00 0.00 C ATOM 0 H LEU A 25 133.471 0.509 1.577 1.00 0.00 H new ATOM 0 HA LEU A 25 130.688 0.424 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.702 -1.616 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 133.011 -1.153 2.651 1.00 0.00 H new ATOM 0 HG LEU A 25 130.280 -1.497 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.730 -3.928 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 25 130.591 -3.466 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 132.194 -3.749 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.677 -2.341 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 25 133.135 -2.179 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.224 -0.730 5.217 1.00 0.00 H new ATOM 390 N GLU A 26 132.132 1.400 4.417 1.00 0.00 N ATOM 391 CA GLU A 26 131.975 2.068 5.675 1.00 0.00 C ATOM 392 C GLU A 26 131.455 3.489 5.456 1.00 0.00 C ATOM 393 O GLU A 26 130.561 3.938 6.183 1.00 0.00 O ATOM 394 CB GLU A 26 133.321 2.063 6.385 1.00 0.00 C ATOM 395 CG GLU A 26 133.345 2.638 7.788 1.00 0.00 C ATOM 396 CD GLU A 26 132.540 1.834 8.763 1.00 0.00 C ATOM 397 OE1 GLU A 26 132.983 0.728 9.151 1.00 0.00 O ATOM 398 OE2 GLU A 26 131.460 2.283 9.180 1.00 0.00 O ATOM 0 H GLU A 26 133.106 1.202 4.188 1.00 0.00 H new ATOM 0 HA GLU A 26 131.242 1.553 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.679 1.035 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 26 134.031 2.621 5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 26 134.377 2.693 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.962 3.658 7.763 1.00 0.00 H new ATOM 405 N ALA A 27 131.956 4.174 4.407 1.00 0.00 N ATOM 406 CA ALA A 27 131.498 5.531 4.126 1.00 0.00 C ATOM 407 C ALA A 27 130.022 5.493 3.738 1.00 0.00 C ATOM 408 O ALA A 27 129.200 6.249 4.275 1.00 0.00 O ATOM 409 CB ALA A 27 132.343 6.219 3.018 1.00 0.00 C ATOM 0 H ALA A 27 132.659 3.813 3.762 1.00 0.00 H new ATOM 0 HA ALA A 27 131.625 6.128 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.964 7.226 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.384 6.273 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.274 5.641 2.096 1.00 0.00 H new ATOM 415 N PHE A 28 129.681 4.570 2.850 1.00 0.00 N ATOM 416 CA PHE A 28 128.327 4.447 2.353 1.00 0.00 C ATOM 417 C PHE A 28 127.396 3.954 3.446 1.00 0.00 C ATOM 418 O PHE A 28 126.301 4.491 3.619 1.00 0.00 O ATOM 419 CB PHE A 28 128.267 3.515 1.130 1.00 0.00 C ATOM 420 CG PHE A 28 126.930 3.513 0.432 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.606 4.529 -0.444 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.005 2.511 0.648 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.394 4.554 -1.091 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.786 2.528 0.003 1.00 0.00 C ATOM 425 CZ PHE A 28 124.482 3.555 -0.868 1.00 0.00 C ATOM 0 H PHE A 28 130.334 3.891 2.459 1.00 0.00 H new ATOM 0 HA PHE A 28 127.996 5.437 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.037 3.814 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.503 2.499 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.319 5.320 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.238 1.706 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.161 5.358 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.070 1.739 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.527 3.571 -1.373 1.00 0.00 H new ATOM 435 N THR A 29 127.834 2.960 4.202 1.00 0.00 N ATOM 436 CA THR A 29 127.006 2.413 5.238 1.00 0.00 C ATOM 437 C THR A 29 126.757 3.439 6.351 1.00 0.00 C ATOM 438 O THR A 29 125.667 3.514 6.834 1.00 0.00 O ATOM 439 CB THR A 29 127.503 1.018 5.803 1.00 0.00 C ATOM 440 OG1 THR A 29 126.493 0.411 6.630 1.00 0.00 O ATOM 441 CG2 THR A 29 128.766 1.149 6.633 1.00 0.00 C ATOM 0 H THR A 29 128.752 2.526 4.111 1.00 0.00 H new ATOM 0 HA THR A 29 126.049 2.190 4.765 1.00 0.00 H new ATOM 0 HB THR A 29 127.711 0.397 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.832 -0.434 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 29 129.066 0.166 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.563 1.567 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.578 1.808 7.481 1.00 0.00 H new ATOM 449 N ARG A 30 127.742 4.299 6.692 1.00 0.00 N ATOM 450 CA ARG A 30 127.504 5.293 7.756 1.00 0.00 C ATOM 451 C ARG A 30 126.464 6.322 7.296 1.00 0.00 C ATOM 452 O ARG A 30 125.629 6.776 8.081 1.00 0.00 O ATOM 453 CB ARG A 30 128.827 5.947 8.281 1.00 0.00 C ATOM 454 CG ARG A 30 129.549 6.944 7.358 1.00 0.00 C ATOM 455 CD ARG A 30 128.962 8.357 7.459 1.00 0.00 C ATOM 456 NE ARG A 30 129.132 8.930 8.805 1.00 0.00 N ATOM 457 CZ ARG A 30 128.310 9.822 9.384 1.00 0.00 C ATOM 458 NH1 ARG A 30 127.267 10.312 8.718 1.00 0.00 N ATOM 459 NH2 ARG A 30 128.543 10.237 10.629 1.00 0.00 N ATOM 0 H ARG A 30 128.669 4.326 6.267 1.00 0.00 H new ATOM 0 HA ARG A 30 127.091 4.771 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.599 6.460 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 30 129.526 5.145 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 30 130.608 6.973 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.481 6.597 6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 30 129.445 9.003 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 30 127.902 8.328 7.209 1.00 0.00 H new ATOM 0 HE ARG A 30 129.942 8.624 9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 30 127.086 10.011 7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 30 126.648 10.989 9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 30 129.346 9.878 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 30 127.918 10.914 11.066 1.00 0.00 H new ATOM 473 N PHE A 31 126.499 6.632 6.005 1.00 0.00 N ATOM 474 CA PHE A 31 125.531 7.520 5.384 1.00 0.00 C ATOM 475 C PHE A 31 124.151 6.881 5.459 1.00 0.00 C ATOM 476 O PHE A 31 123.170 7.502 5.864 1.00 0.00 O ATOM 477 CB PHE A 31 125.935 7.761 3.910 1.00 0.00 C ATOM 478 CG PHE A 31 124.934 8.526 3.075 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.907 9.906 3.090 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.029 7.852 2.263 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.999 10.603 2.318 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.119 8.543 1.492 1.00 0.00 C ATOM 483 CZ PHE A 31 123.105 9.920 1.519 1.00 0.00 C ATOM 0 H PHE A 31 127.203 6.272 5.360 1.00 0.00 H new ATOM 0 HA PHE A 31 125.508 8.477 5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.882 8.301 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.112 6.795 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.604 10.447 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.039 6.772 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.988 11.683 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.419 8.006 0.869 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.395 10.465 0.915 1.00 0.00 H new ATOM 493 N LEU A 32 124.113 5.632 5.112 1.00 0.00 N ATOM 494 CA LEU A 32 122.903 4.866 5.059 1.00 0.00 C ATOM 495 C LEU A 32 122.345 4.622 6.492 1.00 0.00 C ATOM 496 O LEU A 32 121.136 4.701 6.726 1.00 0.00 O ATOM 497 CB LEU A 32 123.229 3.554 4.346 1.00 0.00 C ATOM 498 CG LEU A 32 122.083 2.811 3.692 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.429 3.681 2.628 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.595 1.528 3.068 1.00 0.00 C ATOM 0 H LEU A 32 124.944 5.101 4.851 1.00 0.00 H new ATOM 0 HA LEU A 32 122.125 5.400 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.975 3.764 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.695 2.885 5.069 1.00 0.00 H new ATOM 0 HG LEU A 32 121.339 2.570 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.607 3.134 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.046 4.592 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.165 3.940 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.767 0.996 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.348 1.764 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 32 123.039 0.900 3.840 1.00 0.00 H new ATOM 512 N LYS A 33 123.241 4.365 7.442 1.00 0.00 N ATOM 513 CA LYS A 33 122.874 4.116 8.843 1.00 0.00 C ATOM 514 C LYS A 33 122.353 5.357 9.525 1.00 0.00 C ATOM 515 O LYS A 33 121.411 5.275 10.312 1.00 0.00 O ATOM 516 CB LYS A 33 124.051 3.576 9.677 1.00 0.00 C ATOM 517 CG LYS A 33 124.569 2.209 9.284 1.00 0.00 C ATOM 518 CD LYS A 33 125.650 1.755 10.240 1.00 0.00 C ATOM 519 CE LYS A 33 126.226 0.399 9.858 1.00 0.00 C ATOM 520 NZ LYS A 33 125.189 -0.648 9.722 1.00 0.00 N ATOM 0 H LYS A 33 124.245 4.322 7.267 1.00 0.00 H new ATOM 0 HA LYS A 33 122.088 3.362 8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.874 4.288 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.744 3.540 10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.750 1.490 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.964 2.242 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.450 2.495 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.241 1.702 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.768 0.492 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.950 0.091 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.581 -1.565 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.375 -0.411 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 124.880 -0.704 8.730 1.00 0.00 H new ATOM 534 N THR A 34 122.936 6.508 9.214 1.00 0.00 N ATOM 535 CA THR A 34 122.563 7.743 9.880 1.00 0.00 C ATOM 536 C THR A 34 121.120 8.169 9.495 1.00 0.00 C ATOM 537 O THR A 34 120.458 8.900 10.230 1.00 0.00 O ATOM 538 CB THR A 34 123.624 8.887 9.630 1.00 0.00 C ATOM 539 OG1 THR A 34 123.481 9.956 10.591 1.00 0.00 O ATOM 540 CG2 THR A 34 123.514 9.468 8.231 1.00 0.00 C ATOM 0 H THR A 34 123.665 6.609 8.508 1.00 0.00 H new ATOM 0 HA THR A 34 122.564 7.560 10.954 1.00 0.00 H new ATOM 0 HB THR A 34 124.604 8.424 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 34 124.151 10.648 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.262 10.251 8.102 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.682 8.681 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.519 9.890 8.089 1.00 0.00 H new ATOM 548 N GLU A 35 120.628 7.677 8.356 1.00 0.00 N ATOM 549 CA GLU A 35 119.251 7.944 7.962 1.00 0.00 C ATOM 550 C GLU A 35 118.371 6.715 8.218 1.00 0.00 C ATOM 551 O GLU A 35 117.207 6.677 7.830 1.00 0.00 O ATOM 552 CB GLU A 35 119.153 8.425 6.506 1.00 0.00 C ATOM 553 CG GLU A 35 119.681 7.462 5.458 1.00 0.00 C ATOM 554 CD GLU A 35 119.565 8.038 4.070 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.411 8.831 3.684 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.597 7.711 3.337 1.00 0.00 O ATOM 0 H GLU A 35 121.157 7.100 7.701 1.00 0.00 H new ATOM 0 HA GLU A 35 118.878 8.760 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.108 8.639 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.697 9.365 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.724 7.228 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.127 6.525 5.512 1.00 0.00 H new ATOM 563 N PHE A 36 118.962 5.725 8.900 1.00 0.00 N ATOM 564 CA PHE A 36 118.297 4.471 9.317 1.00 0.00 C ATOM 565 C PHE A 36 117.882 3.574 8.146 1.00 0.00 C ATOM 566 O PHE A 36 117.101 2.643 8.313 1.00 0.00 O ATOM 567 CB PHE A 36 117.104 4.743 10.258 1.00 0.00 C ATOM 568 CG PHE A 36 117.499 5.318 11.593 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.655 6.684 11.765 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.715 4.484 12.678 1.00 0.00 C ATOM 571 CE1 PHE A 36 118.020 7.206 12.990 1.00 0.00 C ATOM 572 CE2 PHE A 36 118.080 4.999 13.906 1.00 0.00 C ATOM 573 CZ PHE A 36 118.232 6.362 14.062 1.00 0.00 C ATOM 0 H PHE A 36 119.940 5.769 9.187 1.00 0.00 H new ATOM 0 HA PHE A 36 119.052 3.914 9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.416 5.430 9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.562 3.811 10.421 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.489 7.349 10.930 1.00 0.00 H new ATOM 0 HD2 PHE A 36 117.596 3.417 12.562 1.00 0.00 H new ATOM 0 HE1 PHE A 36 118.139 8.273 13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 36 118.246 4.337 14.743 1.00 0.00 H new ATOM 0 HZ PHE A 36 118.516 6.768 15.022 1.00 0.00 H new ATOM 583 N SER A 37 118.459 3.790 7.002 1.00 0.00 N ATOM 584 CA SER A 37 118.123 3.013 5.829 1.00 0.00 C ATOM 585 C SER A 37 119.247 2.018 5.497 1.00 0.00 C ATOM 586 O SER A 37 119.333 1.490 4.388 1.00 0.00 O ATOM 587 CB SER A 37 117.840 3.962 4.675 1.00 0.00 C ATOM 588 OG SER A 37 116.797 4.865 5.044 1.00 0.00 O ATOM 0 H SER A 37 119.172 4.503 6.847 1.00 0.00 H new ATOM 0 HA SER A 37 117.228 2.421 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.742 4.517 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.550 3.397 3.789 1.00 0.00 H new ATOM 0 HG SER A 37 116.616 5.477 4.301 1.00 0.00 H new ATOM 594 N GLU A 38 120.050 1.696 6.529 1.00 0.00 N ATOM 595 CA GLU A 38 121.211 0.772 6.438 1.00 0.00 C ATOM 596 C GLU A 38 120.764 -0.636 6.034 1.00 0.00 C ATOM 597 O GLU A 38 121.557 -1.453 5.574 1.00 0.00 O ATOM 598 CB GLU A 38 121.910 0.713 7.796 1.00 0.00 C ATOM 599 CG GLU A 38 121.063 0.095 8.899 1.00 0.00 C ATOM 600 CD GLU A 38 121.657 0.225 10.277 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.675 -0.423 10.584 1.00 0.00 O ATOM 602 OE2 GLU A 38 121.091 0.980 11.087 1.00 0.00 O ATOM 0 H GLU A 38 119.913 2.073 7.467 1.00 0.00 H new ATOM 0 HA GLU A 38 121.895 1.146 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.832 0.140 7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.194 1.723 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.079 0.565 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 38 120.913 -0.962 8.678 1.00 0.00 H new ATOM 609 N GLU A 39 119.474 -0.846 6.168 1.00 0.00 N ATOM 610 CA GLU A 39 118.763 -2.085 5.927 1.00 0.00 C ATOM 611 C GLU A 39 119.125 -2.701 4.577 1.00 0.00 C ATOM 612 O GLU A 39 119.192 -3.891 4.459 1.00 0.00 O ATOM 613 CB GLU A 39 117.273 -1.780 5.950 1.00 0.00 C ATOM 614 CG GLU A 39 116.835 -0.907 7.125 1.00 0.00 C ATOM 615 CD GLU A 39 117.014 -1.563 8.467 1.00 0.00 C ATOM 616 OE1 GLU A 39 118.125 -1.544 9.015 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.023 -2.087 9.010 1.00 0.00 O ATOM 0 H GLU A 39 118.846 -0.101 6.471 1.00 0.00 H new ATOM 0 HA GLU A 39 119.040 -2.803 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 39 117.000 -1.282 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.721 -2.719 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 39 117.403 0.023 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 39 115.785 -0.642 6.997 1.00 0.00 H new ATOM 624 N ASN A 40 119.383 -1.861 3.583 1.00 0.00 N ATOM 625 CA ASN A 40 119.715 -2.327 2.227 1.00 0.00 C ATOM 626 C ASN A 40 121.143 -2.887 2.130 1.00 0.00 C ATOM 627 O ASN A 40 121.392 -3.978 1.540 1.00 0.00 O ATOM 628 CB ASN A 40 119.517 -1.203 1.200 1.00 0.00 C ATOM 629 CG ASN A 40 118.061 -0.890 0.915 1.00 0.00 C ATOM 630 OD1 ASN A 40 117.196 -1.759 1.001 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.774 0.337 0.571 1.00 0.00 N ATOM 0 H ASN A 40 119.371 -0.846 3.683 1.00 0.00 H new ATOM 0 HA ASN A 40 119.029 -3.144 2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 40 120.010 -0.301 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 40 120.009 -1.483 0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.809 0.596 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.515 1.036 0.509 1.00 0.00 H new ATOM 638 N ILE A 41 122.077 -2.199 2.731 1.00 0.00 N ATOM 639 CA ILE A 41 123.457 -2.616 2.643 1.00 0.00 C ATOM 640 C ILE A 41 123.640 -3.854 3.524 1.00 0.00 C ATOM 641 O ILE A 41 124.297 -4.823 3.152 1.00 0.00 O ATOM 642 CB ILE A 41 124.427 -1.447 3.024 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.735 -1.572 2.226 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.717 -1.387 4.538 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.710 -0.440 2.445 1.00 0.00 C ATOM 0 H ILE A 41 121.914 -1.356 3.282 1.00 0.00 H new ATOM 0 HA ILE A 41 123.710 -2.880 1.616 1.00 0.00 H new ATOM 0 HB ILE A 41 123.930 -0.512 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 41 126.221 -2.511 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.495 -1.628 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.394 -0.559 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.784 -1.238 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.178 -2.322 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.604 -0.608 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.247 0.501 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.984 -0.395 3.499 1.00 0.00 H new ATOM 657 N GLU A 42 122.940 -3.840 4.634 1.00 0.00 N ATOM 658 CA GLU A 42 122.913 -4.918 5.568 1.00 0.00 C ATOM 659 C GLU A 42 122.049 -6.074 5.032 1.00 0.00 C ATOM 660 O GLU A 42 122.134 -7.209 5.514 1.00 0.00 O ATOM 661 CB GLU A 42 122.376 -4.396 6.884 1.00 0.00 C ATOM 662 CG GLU A 42 123.414 -3.870 7.888 1.00 0.00 C ATOM 663 CD GLU A 42 124.468 -2.921 7.427 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.246 -1.690 7.488 1.00 0.00 O ATOM 665 OE2 GLU A 42 125.576 -3.370 7.140 1.00 0.00 O ATOM 0 H GLU A 42 122.359 -3.049 4.912 1.00 0.00 H new ATOM 0 HA GLU A 42 123.919 -5.310 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.671 -3.593 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.812 -5.196 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 42 122.869 -3.384 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.919 -4.735 8.318 1.00 0.00 H new ATOM 672 N PHE A 43 121.228 -5.768 4.037 1.00 0.00 N ATOM 673 CA PHE A 43 120.386 -6.741 3.351 1.00 0.00 C ATOM 674 C PHE A 43 121.249 -7.731 2.643 1.00 0.00 C ATOM 675 O PHE A 43 121.146 -8.936 2.877 1.00 0.00 O ATOM 676 CB PHE A 43 119.460 -6.033 2.347 1.00 0.00 C ATOM 677 CG PHE A 43 118.679 -6.917 1.430 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.438 -7.358 1.784 1.00 0.00 C ATOM 679 CD2 PHE A 43 119.190 -7.276 0.187 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.709 -8.141 0.932 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.469 -8.064 -0.667 1.00 0.00 C ATOM 682 CZ PHE A 43 117.225 -8.497 -0.296 1.00 0.00 C ATOM 0 H PHE A 43 121.126 -4.819 3.677 1.00 0.00 H new ATOM 0 HA PHE A 43 119.768 -7.259 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.758 -5.415 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 43 120.065 -5.359 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 43 117.027 -7.087 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 43 120.169 -6.928 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.726 -8.482 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.878 -8.342 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.647 -9.118 -0.965 1.00 0.00 H new ATOM 692 N TRP A 44 122.124 -7.259 1.771 1.00 0.00 N ATOM 693 CA TRP A 44 122.972 -8.234 1.120 1.00 0.00 C ATOM 694 C TRP A 44 124.089 -8.747 1.996 1.00 0.00 C ATOM 695 O TRP A 44 124.654 -9.804 1.736 1.00 0.00 O ATOM 696 CB TRP A 44 123.369 -7.947 -0.325 1.00 0.00 C ATOM 697 CG TRP A 44 123.928 -6.612 -0.631 1.00 0.00 C ATOM 698 CD1 TRP A 44 123.381 -5.698 -1.469 1.00 0.00 C ATOM 699 CD2 TRP A 44 125.139 -6.038 -0.135 1.00 0.00 C ATOM 700 NE1 TRP A 44 124.174 -4.605 -1.552 1.00 0.00 N ATOM 701 CE2 TRP A 44 125.256 -4.777 -0.719 1.00 0.00 C ATOM 702 CE3 TRP A 44 126.134 -6.466 0.751 1.00 0.00 C ATOM 703 CZ2 TRP A 44 126.320 -3.941 -0.449 1.00 0.00 C ATOM 704 CZ3 TRP A 44 127.191 -5.631 1.017 1.00 0.00 C ATOM 705 CH2 TRP A 44 127.278 -4.381 0.422 1.00 0.00 C ATOM 0 H TRP A 44 122.260 -6.282 1.513 1.00 0.00 H new ATOM 0 HA TRP A 44 122.300 -9.081 0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 44 124.102 -8.695 -0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.488 -8.094 -0.950 1.00 0.00 H new ATOM 0 HD1 TRP A 44 122.446 -5.824 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.999 -3.787 -2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 44 126.072 -7.438 1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 126.394 -2.968 -0.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.965 -5.952 1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 44 128.119 -3.743 0.651 1.00 0.00 H new ATOM 716 N ILE A 45 124.382 -8.020 3.059 1.00 0.00 N ATOM 717 CA ILE A 45 125.273 -8.521 4.085 1.00 0.00 C ATOM 718 C ILE A 45 124.651 -9.778 4.711 1.00 0.00 C ATOM 719 O ILE A 45 125.351 -10.772 4.977 1.00 0.00 O ATOM 720 CB ILE A 45 125.606 -7.420 5.144 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.663 -6.467 4.559 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.032 -7.990 6.503 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.136 -5.385 5.497 1.00 0.00 C ATOM 0 H ILE A 45 124.016 -7.084 3.233 1.00 0.00 H new ATOM 0 HA ILE A 45 126.229 -8.795 3.639 1.00 0.00 H new ATOM 0 HB ILE A 45 124.692 -6.865 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.525 -7.055 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.252 -5.998 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.248 -7.171 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.227 -8.602 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.925 -8.603 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.879 -4.766 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.290 -4.766 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.582 -5.840 6.381 1.00 0.00 H new ATOM 735 N ALA A 46 123.327 -9.750 4.859 1.00 0.00 N ATOM 736 CA ALA A 46 122.572 -10.894 5.334 1.00 0.00 C ATOM 737 C ALA A 46 122.620 -12.018 4.302 1.00 0.00 C ATOM 738 O ALA A 46 122.693 -13.174 4.668 1.00 0.00 O ATOM 739 CB ALA A 46 121.121 -10.518 5.624 1.00 0.00 C ATOM 0 H ALA A 46 122.754 -8.932 4.652 1.00 0.00 H new ATOM 0 HA ALA A 46 123.027 -11.235 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.581 -11.396 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.092 -9.742 6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.652 -10.147 4.713 1.00 0.00 H new ATOM 745 N CYS A 47 122.603 -11.655 3.019 1.00 0.00 N ATOM 746 CA CYS A 47 122.666 -12.628 1.910 1.00 0.00 C ATOM 747 C CYS A 47 124.014 -13.368 1.909 1.00 0.00 C ATOM 748 O CYS A 47 124.096 -14.560 1.591 1.00 0.00 O ATOM 749 CB CYS A 47 122.431 -11.918 0.556 1.00 0.00 C ATOM 750 SG CYS A 47 122.477 -12.992 -0.910 1.00 0.00 S ATOM 0 H CYS A 47 122.546 -10.684 2.712 1.00 0.00 H new ATOM 0 HA CYS A 47 121.876 -13.365 2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 47 121.462 -11.421 0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 47 123.185 -11.140 0.438 1.00 0.00 H new ATOM 0 HG CYS A 47 123.201 -12.434 -1.834 1.00 0.00 H new ATOM 756 N GLU A 48 125.058 -12.678 2.289 1.00 0.00 N ATOM 757 CA GLU A 48 126.359 -13.293 2.357 1.00 0.00 C ATOM 758 C GLU A 48 126.472 -14.147 3.616 1.00 0.00 C ATOM 759 O GLU A 48 127.002 -15.264 3.581 1.00 0.00 O ATOM 760 CB GLU A 48 127.452 -12.246 2.266 1.00 0.00 C ATOM 761 CG GLU A 48 127.400 -11.454 0.965 1.00 0.00 C ATOM 762 CD GLU A 48 127.541 -12.332 -0.263 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.676 -12.555 -0.712 1.00 0.00 O ATOM 764 OE2 GLU A 48 126.526 -12.813 -0.808 1.00 0.00 O ATOM 0 H GLU A 48 125.034 -11.694 2.555 1.00 0.00 H new ATOM 0 HA GLU A 48 126.488 -13.957 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.363 -11.560 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.424 -12.732 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.456 -10.912 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.195 -10.709 0.967 1.00 0.00 H new ATOM 771 N ASP A 49 125.921 -13.644 4.720 1.00 0.00 N ATOM 772 CA ASP A 49 125.845 -14.411 5.985 1.00 0.00 C ATOM 773 C ASP A 49 125.045 -15.687 5.742 1.00 0.00 C ATOM 774 O ASP A 49 125.318 -16.750 6.306 1.00 0.00 O ATOM 775 CB ASP A 49 125.176 -13.567 7.086 1.00 0.00 C ATOM 776 CG ASP A 49 124.936 -14.332 8.384 1.00 0.00 C ATOM 777 OD1 ASP A 49 125.883 -14.480 9.189 1.00 0.00 O ATOM 778 OD2 ASP A 49 123.790 -14.783 8.620 1.00 0.00 O ATOM 0 H ASP A 49 125.517 -12.709 4.775 1.00 0.00 H new ATOM 0 HA ASP A 49 126.852 -14.665 6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 49 125.801 -12.699 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.223 -13.191 6.715 1.00 0.00 H new ATOM 783 N PHE A 50 124.098 -15.554 4.859 1.00 0.00 N ATOM 784 CA PHE A 50 123.250 -16.609 4.408 1.00 0.00 C ATOM 785 C PHE A 50 124.051 -17.666 3.626 1.00 0.00 C ATOM 786 O PHE A 50 123.963 -18.855 3.944 1.00 0.00 O ATOM 787 CB PHE A 50 122.126 -15.990 3.565 1.00 0.00 C ATOM 788 CG PHE A 50 121.192 -16.940 2.930 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.340 -17.689 3.691 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.170 -17.081 1.561 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.475 -18.569 3.106 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.306 -17.958 0.967 1.00 0.00 C ATOM 793 CZ PHE A 50 119.456 -18.706 1.743 1.00 0.00 C ATOM 0 H PHE A 50 123.889 -14.660 4.414 1.00 0.00 H new ATOM 0 HA PHE A 50 122.811 -17.132 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.551 -15.317 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.579 -15.380 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.351 -17.584 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.841 -16.494 0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 50 118.806 -19.157 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.292 -18.062 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 50 118.773 -19.402 1.279 1.00 0.00 H new ATOM 803 N LYS A 51 124.889 -17.228 2.657 1.00 0.00 N ATOM 804 CA LYS A 51 125.660 -18.182 1.830 1.00 0.00 C ATOM 805 C LYS A 51 126.741 -18.898 2.652 1.00 0.00 C ATOM 806 O LYS A 51 127.327 -19.887 2.214 1.00 0.00 O ATOM 807 CB LYS A 51 126.292 -17.534 0.562 1.00 0.00 C ATOM 808 CG LYS A 51 127.613 -16.775 0.761 1.00 0.00 C ATOM 809 CD LYS A 51 128.200 -16.361 -0.592 1.00 0.00 C ATOM 810 CE LYS A 51 129.664 -15.907 -0.502 1.00 0.00 C ATOM 811 NZ LYS A 51 129.854 -14.685 0.289 1.00 0.00 N ATOM 0 H LYS A 51 125.046 -16.245 2.433 1.00 0.00 H new ATOM 0 HA LYS A 51 124.933 -18.916 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.459 -18.320 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.565 -16.845 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 51 127.443 -15.892 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 51 128.324 -17.404 1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.128 -17.200 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.600 -15.552 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 51 130.258 -16.709 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 51 130.046 -15.741 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.818 -14.670 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 129.714 -13.853 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 129.165 -14.665 1.068 1.00 0.00 H new ATOM 825 N LYS A 52 127.016 -18.382 3.832 1.00 0.00 N ATOM 826 CA LYS A 52 127.971 -19.008 4.743 1.00 0.00 C ATOM 827 C LYS A 52 127.428 -20.330 5.299 1.00 0.00 C ATOM 828 O LYS A 52 128.201 -21.176 5.766 1.00 0.00 O ATOM 829 CB LYS A 52 128.264 -18.100 5.919 1.00 0.00 C ATOM 830 CG LYS A 52 128.867 -16.760 5.584 1.00 0.00 C ATOM 831 CD LYS A 52 129.036 -15.931 6.845 1.00 0.00 C ATOM 832 CE LYS A 52 129.925 -16.642 7.843 1.00 0.00 C ATOM 833 NZ LYS A 52 130.016 -15.940 9.133 1.00 0.00 N ATOM 0 H LYS A 52 126.593 -17.526 4.190 1.00 0.00 H new ATOM 0 HA LYS A 52 128.879 -19.193 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 52 127.335 -17.932 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 52 128.940 -18.622 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 52 129.833 -16.899 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.228 -16.232 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.467 -14.962 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 52 128.061 -15.739 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 52 129.542 -17.649 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 130.925 -16.747 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.637 -16.473 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 130.407 -14.988 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 129.068 -15.862 9.554 1.00 0.00 H new ATOM 847 N SER A 53 126.129 -20.497 5.253 1.00 0.00 N ATOM 848 CA SER A 53 125.477 -21.655 5.833 1.00 0.00 C ATOM 849 C SER A 53 125.683 -22.897 4.946 1.00 0.00 C ATOM 850 O SER A 53 125.323 -22.902 3.781 1.00 0.00 O ATOM 851 CB SER A 53 123.986 -21.357 5.977 1.00 0.00 C ATOM 852 OG SER A 53 123.781 -20.052 6.526 1.00 0.00 O ATOM 0 H SER A 53 125.490 -19.835 4.813 1.00 0.00 H new ATOM 0 HA SER A 53 125.912 -21.863 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 53 123.500 -21.428 5.004 1.00 0.00 H new ATOM 0 HB3 SER A 53 123.521 -22.104 6.620 1.00 0.00 H new ATOM 0 HG SER A 53 123.798 -19.388 5.806 1.00 0.00 H new ATOM 858 N LYS A 54 126.283 -23.930 5.483 1.00 0.00 N ATOM 859 CA LYS A 54 126.470 -25.150 4.713 1.00 0.00 C ATOM 860 C LYS A 54 125.413 -26.208 5.043 1.00 0.00 C ATOM 861 O LYS A 54 125.476 -27.346 4.577 1.00 0.00 O ATOM 862 CB LYS A 54 127.925 -25.682 4.806 1.00 0.00 C ATOM 863 CG LYS A 54 128.506 -25.914 6.211 1.00 0.00 C ATOM 864 CD LYS A 54 127.850 -27.061 6.952 1.00 0.00 C ATOM 865 CE LYS A 54 128.573 -27.361 8.248 1.00 0.00 C ATOM 866 NZ LYS A 54 127.947 -28.487 8.964 1.00 0.00 N ATOM 0 H LYS A 54 126.648 -23.959 6.435 1.00 0.00 H new ATOM 0 HA LYS A 54 126.315 -24.896 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 54 127.974 -26.625 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 54 128.575 -24.979 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 54 129.575 -26.110 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 54 128.395 -25.002 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 54 126.809 -26.814 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 54 127.845 -27.950 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 54 129.617 -27.596 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 128.567 -26.475 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 128.465 -28.668 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 126.958 -28.252 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 127.975 -29.337 8.366 1.00 0.00 H new ATOM 880 N GLY A 55 124.443 -25.820 5.828 1.00 0.00 N ATOM 881 CA GLY A 55 123.385 -26.716 6.189 1.00 0.00 C ATOM 882 C GLY A 55 122.148 -26.364 5.417 1.00 0.00 C ATOM 883 O GLY A 55 121.667 -25.252 5.537 1.00 0.00 O ATOM 0 H GLY A 55 124.367 -24.885 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 55 123.677 -27.745 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 55 123.189 -26.652 7.259 1.00 0.00 H new ATOM 887 N PRO A 56 121.605 -27.276 4.605 1.00 0.00 N ATOM 888 CA PRO A 56 120.452 -26.977 3.758 1.00 0.00 C ATOM 889 C PRO A 56 119.179 -26.665 4.552 1.00 0.00 C ATOM 890 O PRO A 56 118.355 -25.860 4.121 1.00 0.00 O ATOM 891 CB PRO A 56 120.293 -28.218 2.888 1.00 0.00 C ATOM 892 CG PRO A 56 120.956 -29.307 3.652 1.00 0.00 C ATOM 893 CD PRO A 56 122.069 -28.664 4.430 1.00 0.00 C ATOM 0 HA PRO A 56 120.614 -26.072 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 56 119.242 -28.444 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 56 120.759 -28.079 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 56 120.249 -29.799 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 56 121.344 -30.072 2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 56 122.227 -29.159 5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 56 123.014 -28.707 3.889 1.00 0.00 H new ATOM 901 N GLN A 57 119.047 -27.253 5.735 1.00 0.00 N ATOM 902 CA GLN A 57 117.896 -26.997 6.590 1.00 0.00 C ATOM 903 C GLN A 57 118.043 -25.572 7.120 1.00 0.00 C ATOM 904 O GLN A 57 117.092 -24.792 7.129 1.00 0.00 O ATOM 905 CB GLN A 57 117.866 -28.026 7.739 1.00 0.00 C ATOM 906 CG GLN A 57 116.491 -28.299 8.344 1.00 0.00 C ATOM 907 CD GLN A 57 116.005 -27.222 9.273 1.00 0.00 C ATOM 908 OE1 GLN A 57 116.789 -26.564 9.941 1.00 0.00 O ATOM 909 NE2 GLN A 57 114.721 -27.032 9.323 1.00 0.00 N ATOM 0 H GLN A 57 119.723 -27.910 6.123 1.00 0.00 H new ATOM 0 HA GLN A 57 116.958 -27.095 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 57 118.275 -28.967 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.529 -27.679 8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 57 115.769 -28.421 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 57 116.526 -29.244 8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 57 114.098 -27.602 8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 57 114.335 -26.313 9.935 1.00 0.00 H new ATOM 918 N GLN A 58 119.285 -25.235 7.463 1.00 0.00 N ATOM 919 CA GLN A 58 119.682 -23.913 7.944 1.00 0.00 C ATOM 920 C GLN A 58 119.400 -22.855 6.877 1.00 0.00 C ATOM 921 O GLN A 58 119.038 -21.719 7.197 1.00 0.00 O ATOM 922 CB GLN A 58 121.176 -23.933 8.305 1.00 0.00 C ATOM 923 CG GLN A 58 121.732 -22.648 8.897 1.00 0.00 C ATOM 924 CD GLN A 58 121.098 -22.271 10.219 1.00 0.00 C ATOM 925 OE1 GLN A 58 120.647 -23.128 10.983 1.00 0.00 O ATOM 926 NE2 GLN A 58 121.108 -21.007 10.525 1.00 0.00 N ATOM 0 H GLN A 58 120.064 -25.892 7.413 1.00 0.00 H new ATOM 0 HA GLN A 58 119.103 -23.660 8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 58 121.348 -24.742 9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 58 121.744 -24.172 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 58 122.808 -22.757 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 58 121.583 -21.835 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 58 121.489 -20.326 9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 58 120.735 -20.696 11.422 1.00 0.00 H new ATOM 935 N ILE A 59 119.561 -23.248 5.612 1.00 0.00 N ATOM 936 CA ILE A 59 119.260 -22.387 4.468 1.00 0.00 C ATOM 937 C ILE A 59 117.807 -21.954 4.539 1.00 0.00 C ATOM 938 O ILE A 59 117.505 -20.787 4.408 1.00 0.00 O ATOM 939 CB ILE A 59 119.496 -23.110 3.104 1.00 0.00 C ATOM 940 CG1 ILE A 59 120.916 -23.674 3.011 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.205 -22.190 1.932 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.011 -22.681 3.263 1.00 0.00 C ATOM 0 H ILE A 59 119.904 -24.173 5.352 1.00 0.00 H new ATOM 0 HA ILE A 59 119.932 -21.530 4.518 1.00 0.00 H new ATOM 0 HB ILE A 59 118.798 -23.946 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.014 -24.490 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.056 -24.102 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.379 -22.724 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.166 -21.864 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 59 119.861 -21.321 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 59 122.978 -23.176 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 59 121.947 -21.876 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 59 121.905 -22.269 4.266 1.00 0.00 H new ATOM 954 N HIS A 60 116.923 -22.919 4.784 1.00 0.00 N ATOM 955 CA HIS A 60 115.477 -22.651 4.920 1.00 0.00 C ATOM 956 C HIS A 60 115.224 -21.625 5.993 1.00 0.00 C ATOM 957 O HIS A 60 114.542 -20.641 5.762 1.00 0.00 O ATOM 958 CB HIS A 60 114.678 -23.907 5.291 1.00 0.00 C ATOM 959 CG HIS A 60 114.568 -24.942 4.235 1.00 0.00 C ATOM 960 ND1 HIS A 60 115.398 -25.930 3.884 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 113.468 -25.071 3.435 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 114.793 -26.634 2.894 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 113.630 -26.099 2.640 1.00 0.00 N flip ATOM 0 H HIS A 60 117.176 -23.901 4.894 1.00 0.00 H new ATOM 0 HA HIS A 60 115.149 -22.290 3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.138 -24.360 6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 60 113.672 -23.602 5.579 1.00 0.00 H new ATOM 0 HD1 HIS A 60 116.316 -26.119 4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 60 112.601 -24.427 3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 60 115.207 -27.498 2.396 1.00 0.00 H new ATOM 972 N LEU A 61 115.815 -21.867 7.146 1.00 0.00 N ATOM 973 CA LEU A 61 115.654 -21.035 8.334 1.00 0.00 C ATOM 974 C LEU A 61 116.070 -19.619 8.027 1.00 0.00 C ATOM 975 O LEU A 61 115.266 -18.681 8.116 1.00 0.00 O ATOM 976 CB LEU A 61 116.553 -21.570 9.433 1.00 0.00 C ATOM 977 CG LEU A 61 116.535 -23.070 9.616 1.00 0.00 C ATOM 978 CD1 LEU A 61 117.524 -23.475 10.654 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.158 -23.559 9.959 1.00 0.00 C ATOM 0 H LEU A 61 116.435 -22.664 7.292 1.00 0.00 H new ATOM 0 HA LEU A 61 114.610 -21.053 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 61 117.577 -21.259 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.264 -21.103 10.375 1.00 0.00 H new ATOM 0 HG LEU A 61 116.819 -23.534 8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 61 117.501 -24.558 10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.523 -23.166 10.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.273 -22.998 11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.177 -24.642 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 61 114.827 -23.092 10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.469 -23.299 9.155 1.00 0.00 H new ATOM 991 N LYS A 62 117.323 -19.488 7.656 1.00 0.00 N ATOM 992 CA LYS A 62 117.912 -18.209 7.273 1.00 0.00 C ATOM 993 C LYS A 62 117.136 -17.502 6.163 1.00 0.00 C ATOM 994 O LYS A 62 116.798 -16.329 6.304 1.00 0.00 O ATOM 995 CB LYS A 62 119.381 -18.384 6.888 1.00 0.00 C ATOM 996 CG LYS A 62 120.336 -18.371 8.064 1.00 0.00 C ATOM 997 CD LYS A 62 120.517 -16.951 8.586 1.00 0.00 C ATOM 998 CE LYS A 62 121.400 -16.908 9.817 1.00 0.00 C ATOM 999 NZ LYS A 62 121.757 -15.519 10.189 1.00 0.00 N ATOM 0 H LYS A 62 117.976 -20.270 7.609 1.00 0.00 H new ATOM 0 HA LYS A 62 117.852 -17.563 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.495 -19.326 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.661 -17.589 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.953 -19.011 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.300 -18.780 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.954 -16.330 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.542 -16.525 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 62 120.886 -17.387 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.309 -17.480 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.305 -15.526 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.328 -15.093 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 120.889 -14.962 10.324 1.00 0.00 H new ATOM 1013 N ALA A 63 116.826 -18.216 5.090 1.00 0.00 N ATOM 1014 CA ALA A 63 116.122 -17.623 3.962 1.00 0.00 C ATOM 1015 C ALA A 63 114.753 -17.149 4.358 1.00 0.00 C ATOM 1016 O ALA A 63 114.417 -16.016 4.120 1.00 0.00 O ATOM 1017 CB ALA A 63 116.012 -18.583 2.790 1.00 0.00 C ATOM 0 H ALA A 63 117.050 -19.205 4.977 1.00 0.00 H new ATOM 0 HA ALA A 63 116.715 -16.765 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.480 -18.098 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.010 -18.866 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.467 -19.475 3.100 1.00 0.00 H new ATOM 1023 N LYS A 64 113.988 -18.011 5.002 1.00 0.00 N ATOM 1024 CA LYS A 64 112.612 -17.703 5.389 1.00 0.00 C ATOM 1025 C LYS A 64 112.578 -16.509 6.354 1.00 0.00 C ATOM 1026 O LYS A 64 111.666 -15.670 6.300 1.00 0.00 O ATOM 1027 CB LYS A 64 111.958 -18.951 6.004 1.00 0.00 C ATOM 1028 CG LYS A 64 110.440 -18.914 6.141 1.00 0.00 C ATOM 1029 CD LYS A 64 109.772 -18.617 4.801 1.00 0.00 C ATOM 1030 CE LYS A 64 108.322 -19.068 4.765 1.00 0.00 C ATOM 1031 NZ LYS A 64 107.533 -18.593 5.912 1.00 0.00 N ATOM 0 H LYS A 64 114.297 -18.944 5.274 1.00 0.00 H new ATOM 0 HA LYS A 64 112.041 -17.420 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.227 -19.814 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.388 -19.112 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.083 -19.870 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.156 -18.153 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 64 109.822 -17.546 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.325 -19.115 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.861 -18.711 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.289 -20.157 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.530 -18.535 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 107.641 -19.256 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.870 -17.652 6.199 1.00 0.00 H new ATOM 1045 N ALA A 65 113.604 -16.416 7.186 1.00 0.00 N ATOM 1046 CA ALA A 65 113.746 -15.323 8.118 1.00 0.00 C ATOM 1047 C ALA A 65 114.000 -14.015 7.369 1.00 0.00 C ATOM 1048 O ALA A 65 113.239 -13.060 7.514 1.00 0.00 O ATOM 1049 CB ALA A 65 114.869 -15.607 9.100 1.00 0.00 C ATOM 0 H ALA A 65 114.359 -17.100 7.229 1.00 0.00 H new ATOM 0 HA ALA A 65 112.818 -15.221 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 65 114.963 -14.773 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 65 114.646 -16.519 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 115.805 -15.733 8.556 1.00 0.00 H new ATOM 1055 N ILE A 66 115.030 -14.011 6.525 1.00 0.00 N ATOM 1056 CA ILE A 66 115.419 -12.833 5.730 1.00 0.00 C ATOM 1057 C ILE A 66 114.286 -12.439 4.765 1.00 0.00 C ATOM 1058 O ILE A 66 114.005 -11.258 4.548 1.00 0.00 O ATOM 1059 CB ILE A 66 116.746 -13.115 4.950 1.00 0.00 C ATOM 1060 CG1 ILE A 66 117.899 -13.372 5.944 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.096 -11.981 3.985 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.231 -13.722 5.301 1.00 0.00 C ATOM 0 H ILE A 66 115.625 -14.825 6.368 1.00 0.00 H new ATOM 0 HA ILE A 66 115.595 -11.997 6.407 1.00 0.00 H new ATOM 0 HB ILE A 66 116.595 -14.009 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.032 -12.484 6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.610 -14.184 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.024 -12.219 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.293 -11.861 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.221 -11.053 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 66 119.978 -13.885 6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.121 -14.630 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.550 -12.903 4.656 1.00 0.00 H new ATOM 1074 N TYR A 67 113.631 -13.445 4.232 1.00 0.00 N ATOM 1075 CA TYR A 67 112.483 -13.301 3.360 1.00 0.00 C ATOM 1076 C TYR A 67 111.392 -12.483 4.035 1.00 0.00 C ATOM 1077 O TYR A 67 111.068 -11.404 3.590 1.00 0.00 O ATOM 1078 CB TYR A 67 111.962 -14.697 3.008 1.00 0.00 C ATOM 1079 CG TYR A 67 110.691 -14.742 2.226 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.604 -14.159 0.992 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.576 -15.372 2.737 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.443 -14.188 0.270 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.404 -15.421 2.032 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.332 -14.826 0.799 1.00 0.00 C ATOM 1085 OH TYR A 67 107.159 -14.880 0.085 1.00 0.00 O ATOM 0 H TYR A 67 113.889 -14.418 4.397 1.00 0.00 H new ATOM 0 HA TYR A 67 112.778 -12.774 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.733 -15.219 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.816 -15.253 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.471 -13.665 0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.628 -15.835 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.392 -13.719 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.542 -15.925 2.444 1.00 0.00 H new ATOM 0 HH TYR A 67 106.483 -15.365 0.603 1.00 0.00 H new ATOM 1095 N GLU A 68 110.893 -12.959 5.142 1.00 0.00 N ATOM 1096 CA GLU A 68 109.791 -12.289 5.807 1.00 0.00 C ATOM 1097 C GLU A 68 110.211 -11.031 6.551 1.00 0.00 C ATOM 1098 O GLU A 68 109.367 -10.252 6.987 1.00 0.00 O ATOM 1099 CB GLU A 68 109.055 -13.239 6.716 1.00 0.00 C ATOM 1100 CG GLU A 68 108.352 -14.349 5.967 1.00 0.00 C ATOM 1101 CD GLU A 68 107.604 -15.266 6.872 1.00 0.00 C ATOM 1102 OE1 GLU A 68 106.474 -14.933 7.276 1.00 0.00 O ATOM 1103 OE2 GLU A 68 108.126 -16.338 7.201 1.00 0.00 O ATOM 0 H GLU A 68 111.224 -13.804 5.607 1.00 0.00 H new ATOM 0 HA GLU A 68 109.112 -11.960 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 68 109.760 -13.675 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.322 -12.681 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 68 107.661 -13.914 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.086 -14.922 5.401 1.00 0.00 H new ATOM 1110 N LYS A 69 111.491 -10.838 6.702 1.00 0.00 N ATOM 1111 CA LYS A 69 112.005 -9.656 7.364 1.00 0.00 C ATOM 1112 C LYS A 69 112.223 -8.516 6.367 1.00 0.00 C ATOM 1113 O LYS A 69 112.107 -7.344 6.729 1.00 0.00 O ATOM 1114 CB LYS A 69 113.329 -9.976 8.089 1.00 0.00 C ATOM 1115 CG LYS A 69 113.933 -8.801 8.851 1.00 0.00 C ATOM 1116 CD LYS A 69 115.262 -9.161 9.492 1.00 0.00 C ATOM 1117 CE LYS A 69 115.850 -7.973 10.235 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.186 -8.264 10.785 1.00 0.00 N ATOM 0 H LYS A 69 112.208 -11.485 6.375 1.00 0.00 H new ATOM 0 HA LYS A 69 111.264 -9.337 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.157 -10.796 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.054 -10.328 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.075 -7.962 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.236 -8.472 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.123 -9.993 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 69 115.960 -9.496 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 69 115.915 -7.120 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.180 -7.686 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 117.547 -7.425 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.121 -9.060 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 117.834 -8.512 10.010 1.00 0.00 H new ATOM 1132 N PHE A 70 112.460 -8.864 5.109 1.00 0.00 N ATOM 1133 CA PHE A 70 112.884 -7.880 4.119 1.00 0.00 C ATOM 1134 C PHE A 70 112.153 -8.040 2.803 1.00 0.00 C ATOM 1135 O PHE A 70 111.553 -7.104 2.287 1.00 0.00 O ATOM 1136 CB PHE A 70 114.390 -8.014 3.830 1.00 0.00 C ATOM 1137 CG PHE A 70 115.331 -7.589 4.917 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.493 -6.248 5.225 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.093 -8.524 5.593 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.391 -5.849 6.189 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.989 -8.132 6.563 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.138 -6.793 6.860 1.00 0.00 C ATOM 0 H PHE A 70 112.367 -9.814 4.750 1.00 0.00 H new ATOM 0 HA PHE A 70 112.653 -6.904 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.598 -9.057 3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.617 -7.431 2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.907 -5.506 4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.985 -9.573 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.510 -4.800 6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.574 -8.871 7.090 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.841 -6.484 7.619 1.00 0.00 H new ATOM 1152 N ILE A 71 112.229 -9.234 2.261 1.00 0.00 N ATOM 1153 CA ILE A 71 111.684 -9.547 0.942 1.00 0.00 C ATOM 1154 C ILE A 71 110.169 -9.403 0.934 1.00 0.00 C ATOM 1155 O ILE A 71 109.564 -9.048 -0.091 1.00 0.00 O ATOM 1156 CB ILE A 71 112.105 -10.994 0.510 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.625 -11.128 0.502 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.520 -11.419 -0.845 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.314 -10.162 -0.425 1.00 0.00 C ATOM 0 H ILE A 71 112.673 -10.029 2.721 1.00 0.00 H new ATOM 0 HA ILE A 71 112.093 -8.837 0.223 1.00 0.00 H new ATOM 0 HB ILE A 71 111.684 -11.672 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.999 -10.976 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.889 -12.145 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.851 -12.430 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.431 -11.396 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.862 -10.733 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.392 -10.317 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.969 -10.328 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 71 114.081 -9.140 -0.125 1.00 0.00 H new ATOM 1171 N GLN A 72 109.578 -9.657 2.080 1.00 0.00 N ATOM 1172 CA GLN A 72 108.149 -9.562 2.246 1.00 0.00 C ATOM 1173 C GLN A 72 107.709 -8.111 2.112 1.00 0.00 C ATOM 1174 O GLN A 72 108.383 -7.200 2.584 1.00 0.00 O ATOM 1175 CB GLN A 72 107.731 -10.078 3.626 1.00 0.00 C ATOM 1176 CG GLN A 72 106.219 -10.192 3.808 1.00 0.00 C ATOM 1177 CD GLN A 72 105.594 -11.276 2.945 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.224 -12.294 2.633 1.00 0.00 O ATOM 1179 NE2 GLN A 72 104.364 -11.081 2.552 1.00 0.00 N ATOM 0 H GLN A 72 110.078 -9.936 2.924 1.00 0.00 H new ATOM 0 HA GLN A 72 107.675 -10.170 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.182 -11.057 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.130 -9.411 4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.000 -10.399 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.757 -9.234 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 72 103.870 -10.232 2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 72 103.897 -11.778 1.972 1.00 0.00 H new ATOM 1188 N THR A 73 106.599 -7.904 1.482 1.00 0.00 N ATOM 1189 CA THR A 73 106.055 -6.585 1.371 1.00 0.00 C ATOM 1190 C THR A 73 105.247 -6.363 2.640 1.00 0.00 C ATOM 1191 O THR A 73 104.497 -7.259 3.037 1.00 0.00 O ATOM 1192 CB THR A 73 105.170 -6.464 0.116 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.921 -6.932 -1.037 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.757 -5.016 -0.113 1.00 0.00 C ATOM 0 H THR A 73 106.046 -8.634 1.033 1.00 0.00 H new ATOM 0 HA THR A 73 106.837 -5.833 1.266 1.00 0.00 H new ATOM 0 HB THR A 73 104.272 -7.066 0.257 1.00 0.00 H new ATOM 0 HG1 THR A 73 105.536 -6.552 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 73 104.133 -4.952 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.196 -4.657 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.647 -4.401 -0.249 1.00 0.00 H new ATOM 1202 N ASP A 74 105.418 -5.208 3.275 1.00 0.00 N ATOM 1203 CA ASP A 74 104.857 -4.933 4.608 1.00 0.00 C ATOM 1204 C ASP A 74 105.493 -5.905 5.597 1.00 0.00 C ATOM 1205 O ASP A 74 104.901 -6.898 6.026 1.00 0.00 O ATOM 1206 CB ASP A 74 103.304 -4.989 4.649 1.00 0.00 C ATOM 1207 CG ASP A 74 102.715 -4.540 5.978 1.00 0.00 C ATOM 1208 OD1 ASP A 74 102.424 -3.336 6.135 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.496 -5.377 6.870 1.00 0.00 O ATOM 0 H ASP A 74 105.950 -4.430 2.885 1.00 0.00 H new ATOM 0 HA ASP A 74 105.097 -3.906 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.905 -4.361 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.980 -6.009 4.443 1.00 0.00 H new ATOM 1214 N ALA A 75 106.745 -5.661 5.858 1.00 0.00 N ATOM 1215 CA ALA A 75 107.572 -6.520 6.686 1.00 0.00 C ATOM 1216 C ALA A 75 108.138 -5.689 7.822 1.00 0.00 C ATOM 1217 O ALA A 75 107.743 -4.520 7.966 1.00 0.00 O ATOM 1218 CB ALA A 75 108.721 -7.063 5.822 1.00 0.00 C ATOM 0 H ALA A 75 107.239 -4.844 5.498 1.00 0.00 H new ATOM 0 HA ALA A 75 106.991 -7.349 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.355 -7.712 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.311 -7.631 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.313 -6.231 5.439 1.00 0.00 H new ATOM 1224 N PRO A 76 108.993 -6.282 8.719 1.00 0.00 N ATOM 1225 CA PRO A 76 109.796 -5.505 9.653 1.00 0.00 C ATOM 1226 C PRO A 76 110.487 -4.381 8.892 1.00 0.00 C ATOM 1227 O PRO A 76 110.490 -3.225 9.326 1.00 0.00 O ATOM 1228 CB PRO A 76 110.836 -6.503 10.158 1.00 0.00 C ATOM 1229 CG PRO A 76 110.213 -7.847 9.996 1.00 0.00 C ATOM 1230 CD PRO A 76 109.138 -7.732 8.959 1.00 0.00 C ATOM 0 HA PRO A 76 109.215 -5.058 10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 76 111.761 -6.428 9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 76 111.089 -6.311 11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.960 -8.580 9.692 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.796 -8.191 10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.413 -8.258 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.203 -8.170 9.309 1.00 0.00 H new ATOM 1238 N LYS A 77 111.028 -4.717 7.729 1.00 0.00 N ATOM 1239 CA LYS A 77 111.605 -3.729 6.875 1.00 0.00 C ATOM 1240 C LYS A 77 111.539 -4.200 5.445 1.00 0.00 C ATOM 1241 O LYS A 77 112.425 -4.910 4.975 1.00 0.00 O ATOM 1242 CB LYS A 77 113.043 -3.400 7.271 1.00 0.00 C ATOM 1243 CG LYS A 77 113.557 -2.117 6.640 1.00 0.00 C ATOM 1244 CD LYS A 77 112.676 -0.920 7.007 1.00 0.00 C ATOM 1245 CE LYS A 77 112.624 -0.687 8.515 1.00 0.00 C ATOM 1246 NZ LYS A 77 113.946 -0.354 9.076 1.00 0.00 N ATOM 0 H LYS A 77 111.072 -5.670 7.369 1.00 0.00 H new ATOM 0 HA LYS A 77 111.030 -2.809 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.104 -3.314 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.692 -4.226 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 77 114.579 -1.932 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 77 113.587 -2.230 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 77 113.057 -0.025 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 77 111.666 -1.085 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 77 111.926 0.122 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 77 112.238 -1.581 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 113.844 -0.106 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.579 -1.174 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 114.349 0.453 8.559 1.00 0.00 H new ATOM 1260 N GLU A 78 110.474 -3.833 4.772 1.00 0.00 N ATOM 1261 CA GLU A 78 110.268 -4.262 3.411 1.00 0.00 C ATOM 1262 C GLU A 78 111.299 -3.633 2.487 1.00 0.00 C ATOM 1263 O GLU A 78 111.689 -2.458 2.651 1.00 0.00 O ATOM 1264 CB GLU A 78 108.854 -3.953 2.912 1.00 0.00 C ATOM 1265 CG GLU A 78 108.494 -2.481 2.892 1.00 0.00 C ATOM 1266 CD GLU A 78 107.180 -2.238 2.227 1.00 0.00 C ATOM 1267 OE1 GLU A 78 106.130 -2.400 2.880 1.00 0.00 O ATOM 1268 OE2 GLU A 78 107.160 -1.891 1.036 1.00 0.00 O ATOM 0 H GLU A 78 109.736 -3.237 5.147 1.00 0.00 H new ATOM 0 HA GLU A 78 110.390 -5.345 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.744 -4.353 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.138 -4.479 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 78 108.460 -2.102 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 78 109.273 -1.924 2.371 1.00 0.00 H new ATOM 1275 N VAL A 79 111.774 -4.409 1.577 1.00 0.00 N ATOM 1276 CA VAL A 79 112.733 -3.958 0.611 1.00 0.00 C ATOM 1277 C VAL A 79 112.009 -3.510 -0.636 1.00 0.00 C ATOM 1278 O VAL A 79 111.044 -4.155 -1.074 1.00 0.00 O ATOM 1279 CB VAL A 79 113.737 -5.094 0.250 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.790 -4.634 -0.747 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.401 -5.610 1.492 1.00 0.00 C ATOM 0 H VAL A 79 111.509 -5.389 1.475 1.00 0.00 H new ATOM 0 HA VAL A 79 113.294 -3.127 1.038 1.00 0.00 H new ATOM 0 HB VAL A 79 113.166 -5.894 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.467 -5.459 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.303 -4.308 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.356 -3.805 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 79 115.100 -6.403 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.940 -4.798 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.645 -6.004 2.172 1.00 0.00 H new ATOM 1291 N ASN A 80 112.474 -2.431 -1.216 1.00 0.00 N ATOM 1292 CA ASN A 80 111.927 -1.905 -2.451 1.00 0.00 C ATOM 1293 C ASN A 80 112.580 -2.634 -3.612 1.00 0.00 C ATOM 1294 O ASN A 80 113.200 -2.044 -4.498 1.00 0.00 O ATOM 1295 CB ASN A 80 112.117 -0.374 -2.555 1.00 0.00 C ATOM 1296 CG ASN A 80 111.358 0.385 -1.473 1.00 0.00 C ATOM 1297 OD1 ASN A 80 110.175 0.701 -1.635 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.028 0.723 -0.388 1.00 0.00 N ATOM 0 H ASN A 80 113.251 -1.885 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 80 110.851 -2.075 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.179 -0.138 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 80 111.781 -0.035 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 80 111.570 1.261 0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.004 0.446 -0.285 1.00 0.00 H new ATOM 1305 N LEU A 81 112.447 -3.926 -3.554 1.00 0.00 N ATOM 1306 CA LEU A 81 113.006 -4.872 -4.471 1.00 0.00 C ATOM 1307 C LEU A 81 112.116 -5.043 -5.699 1.00 0.00 C ATOM 1308 O LEU A 81 110.893 -4.878 -5.618 1.00 0.00 O ATOM 1309 CB LEU A 81 113.149 -6.199 -3.710 1.00 0.00 C ATOM 1310 CG LEU A 81 113.568 -7.434 -4.478 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.971 -7.303 -4.916 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.394 -8.677 -3.630 1.00 0.00 C ATOM 0 H LEU A 81 111.908 -4.376 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 81 113.973 -4.526 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.873 -6.045 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.191 -6.413 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 81 112.930 -7.530 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.265 -8.196 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.071 -6.429 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.615 -7.187 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.701 -9.553 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 81 114.009 -8.595 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.347 -8.779 -3.344 1.00 0.00 H new ATOM 1324 N ASP A 82 112.754 -5.344 -6.825 1.00 0.00 N ATOM 1325 CA ASP A 82 112.081 -5.614 -8.099 1.00 0.00 C ATOM 1326 C ASP A 82 111.053 -6.716 -7.919 1.00 0.00 C ATOM 1327 O ASP A 82 111.339 -7.744 -7.278 1.00 0.00 O ATOM 1328 CB ASP A 82 113.104 -6.032 -9.163 1.00 0.00 C ATOM 1329 CG ASP A 82 112.494 -6.267 -10.539 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.889 -7.344 -10.773 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.653 -5.408 -11.428 1.00 0.00 O ATOM 0 H ASP A 82 113.770 -5.409 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 82 111.580 -4.704 -8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.870 -5.260 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.603 -6.944 -8.836 1.00 0.00 H new ATOM 1336 N PHE A 83 109.880 -6.512 -8.481 1.00 0.00 N ATOM 1337 CA PHE A 83 108.761 -7.432 -8.319 1.00 0.00 C ATOM 1338 C PHE A 83 109.062 -8.856 -8.812 1.00 0.00 C ATOM 1339 O PHE A 83 108.598 -9.826 -8.209 1.00 0.00 O ATOM 1340 CB PHE A 83 107.457 -6.875 -8.938 1.00 0.00 C ATOM 1341 CG PHE A 83 107.469 -6.687 -10.437 1.00 0.00 C ATOM 1342 CD1 PHE A 83 108.046 -5.567 -11.011 1.00 0.00 C ATOM 1343 CD2 PHE A 83 106.887 -7.630 -11.266 1.00 0.00 C ATOM 1344 CE1 PHE A 83 108.045 -5.395 -12.380 1.00 0.00 C ATOM 1345 CE2 PHE A 83 106.881 -7.462 -12.635 1.00 0.00 C ATOM 1346 CZ PHE A 83 107.462 -6.342 -13.192 1.00 0.00 C ATOM 0 H PHE A 83 109.670 -5.703 -9.066 1.00 0.00 H new ATOM 0 HA PHE A 83 108.605 -7.515 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.639 -7.548 -8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.237 -5.914 -8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 83 108.502 -4.819 -10.380 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.431 -8.509 -10.835 1.00 0.00 H new ATOM 0 HE1 PHE A 83 108.501 -4.518 -12.815 1.00 0.00 H new ATOM 0 HE2 PHE A 83 106.422 -8.206 -13.269 1.00 0.00 H new ATOM 0 HZ PHE A 83 107.460 -6.208 -14.264 1.00 0.00 H new ATOM 1356 N HIS A 84 109.871 -8.993 -9.857 1.00 0.00 N ATOM 1357 CA HIS A 84 110.196 -10.319 -10.372 1.00 0.00 C ATOM 1358 C HIS A 84 111.211 -10.984 -9.470 1.00 0.00 C ATOM 1359 O HIS A 84 111.166 -12.190 -9.267 1.00 0.00 O ATOM 1360 CB HIS A 84 110.679 -10.286 -11.848 1.00 0.00 C ATOM 1361 CG HIS A 84 111.201 -11.614 -12.375 1.00 0.00 C ATOM 1362 ND1 HIS A 84 110.393 -12.640 -12.806 1.00 0.00 N ATOM 1363 CD2 HIS A 84 112.468 -12.079 -12.483 1.00 0.00 C ATOM 1364 CE1 HIS A 84 111.143 -13.672 -13.139 1.00 0.00 C ATOM 1365 NE2 HIS A 84 112.403 -13.352 -12.959 1.00 0.00 N ATOM 0 H HIS A 84 110.307 -8.218 -10.357 1.00 0.00 H new ATOM 0 HA HIS A 84 109.280 -10.910 -10.371 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.853 -9.959 -12.479 1.00 0.00 H new ATOM 0 HB3 HIS A 84 111.467 -9.538 -11.942 1.00 0.00 H new ATOM 0 HD2 HIS A 84 113.369 -11.537 -12.236 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.781 -14.623 -13.500 1.00 0.00 H new ATOM 0 HE2 HIS A 84 113.202 -13.958 -13.145 1.00 0.00 H new ATOM 1374 N THR A 85 112.099 -10.199 -8.912 1.00 0.00 N ATOM 1375 CA THR A 85 113.071 -10.722 -8.006 1.00 0.00 C ATOM 1376 C THR A 85 112.376 -11.185 -6.730 1.00 0.00 C ATOM 1377 O THR A 85 112.648 -12.279 -6.234 1.00 0.00 O ATOM 1378 CB THR A 85 114.145 -9.689 -7.698 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.760 -9.271 -8.928 1.00 0.00 O ATOM 1380 CG2 THR A 85 115.187 -10.281 -6.777 1.00 0.00 C ATOM 0 H THR A 85 112.163 -9.194 -9.075 1.00 0.00 H new ATOM 0 HA THR A 85 113.566 -11.574 -8.471 1.00 0.00 H new ATOM 0 HB THR A 85 113.692 -8.830 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 85 115.613 -9.740 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.951 -9.533 -6.563 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.714 -10.593 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.649 -11.144 -7.257 1.00 0.00 H new ATOM 1388 N LYS A 86 111.456 -10.350 -6.225 1.00 0.00 N ATOM 1389 CA LYS A 86 110.620 -10.732 -5.093 1.00 0.00 C ATOM 1390 C LYS A 86 109.925 -12.047 -5.407 1.00 0.00 C ATOM 1391 O LYS A 86 109.951 -12.969 -4.612 1.00 0.00 O ATOM 1392 CB LYS A 86 109.533 -9.692 -4.774 1.00 0.00 C ATOM 1393 CG LYS A 86 109.983 -8.355 -4.218 1.00 0.00 C ATOM 1394 CD LYS A 86 108.761 -7.547 -3.784 1.00 0.00 C ATOM 1395 CE LYS A 86 109.129 -6.278 -3.035 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.919 -5.566 -2.551 1.00 0.00 N ATOM 0 H LYS A 86 111.278 -9.412 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 86 111.279 -10.814 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.970 -9.503 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 86 108.841 -10.137 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 86 110.651 -8.508 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.546 -7.806 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 86 108.173 -7.286 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 86 108.128 -8.167 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.770 -6.526 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 86 109.703 -5.621 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.204 -4.713 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.328 -5.294 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.376 -6.192 -1.922 1.00 0.00 H new ATOM 1410 N GLU A 87 109.354 -12.120 -6.609 1.00 0.00 N ATOM 1411 CA GLU A 87 108.637 -13.290 -7.101 1.00 0.00 C ATOM 1412 C GLU A 87 109.459 -14.566 -6.964 1.00 0.00 C ATOM 1413 O GLU A 87 109.010 -15.528 -6.340 1.00 0.00 O ATOM 1414 CB GLU A 87 108.242 -13.079 -8.552 1.00 0.00 C ATOM 1415 CG GLU A 87 107.620 -14.281 -9.199 1.00 0.00 C ATOM 1416 CD GLU A 87 107.255 -14.026 -10.611 1.00 0.00 C ATOM 1417 OE1 GLU A 87 106.278 -13.296 -10.854 1.00 0.00 O ATOM 1418 OE2 GLU A 87 107.941 -14.542 -11.510 1.00 0.00 O ATOM 0 H GLU A 87 109.379 -11.351 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 87 107.743 -13.411 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.542 -12.246 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 87 109.127 -12.791 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 87 108.315 -15.119 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.730 -14.572 -8.642 1.00 0.00 H new ATOM 1425 N VAL A 88 110.655 -14.550 -7.509 1.00 0.00 N ATOM 1426 CA VAL A 88 111.552 -15.698 -7.472 1.00 0.00 C ATOM 1427 C VAL A 88 111.753 -16.191 -6.033 1.00 0.00 C ATOM 1428 O VAL A 88 111.619 -17.387 -5.745 1.00 0.00 O ATOM 1429 CB VAL A 88 112.913 -15.345 -8.125 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.892 -16.498 -8.012 1.00 0.00 C ATOM 1431 CG2 VAL A 88 112.701 -14.967 -9.587 1.00 0.00 C ATOM 0 H VAL A 88 111.040 -13.740 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 88 111.094 -16.505 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 88 113.340 -14.495 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 88 114.837 -16.220 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 88 114.061 -16.730 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 88 113.482 -17.374 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 88 113.660 -14.720 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 88 112.253 -15.807 -10.119 1.00 0.00 H new ATOM 0 HG23 VAL A 88 112.038 -14.104 -9.647 1.00 0.00 H new ATOM 1441 N ILE A 89 111.975 -15.258 -5.136 1.00 0.00 N ATOM 1442 CA ILE A 89 112.193 -15.570 -3.738 1.00 0.00 C ATOM 1443 C ILE A 89 110.898 -16.096 -3.102 1.00 0.00 C ATOM 1444 O ILE A 89 110.912 -17.103 -2.407 1.00 0.00 O ATOM 1445 CB ILE A 89 112.672 -14.325 -2.968 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.871 -13.701 -3.685 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.042 -14.697 -1.531 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.328 -12.399 -3.086 1.00 0.00 C ATOM 0 H ILE A 89 112.010 -14.262 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 89 112.964 -16.339 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 89 111.863 -13.596 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.700 -14.408 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.612 -13.538 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.379 -13.807 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.170 -15.112 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.842 -15.437 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.181 -12.019 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.515 -11.674 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.620 -12.559 -2.048 1.00 0.00 H new ATOM 1460 N THR A 90 109.771 -15.438 -3.399 1.00 0.00 N ATOM 1461 CA THR A 90 108.470 -15.825 -2.838 1.00 0.00 C ATOM 1462 C THR A 90 108.071 -17.244 -3.257 1.00 0.00 C ATOM 1463 O THR A 90 107.253 -17.901 -2.600 1.00 0.00 O ATOM 1464 CB THR A 90 107.330 -14.816 -3.212 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.168 -14.717 -4.636 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.631 -13.440 -2.681 1.00 0.00 C ATOM 0 H THR A 90 109.733 -14.634 -4.025 1.00 0.00 H new ATOM 0 HA THR A 90 108.593 -15.802 -1.755 1.00 0.00 H new ATOM 0 HB THR A 90 106.414 -15.198 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.959 -15.087 -5.082 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.824 -12.760 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.719 -13.480 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.568 -13.082 -3.108 1.00 0.00 H new ATOM 1474 N ASN A 91 108.657 -17.706 -4.343 1.00 0.00 N ATOM 1475 CA ASN A 91 108.377 -19.020 -4.857 1.00 0.00 C ATOM 1476 C ASN A 91 109.386 -20.017 -4.324 1.00 0.00 C ATOM 1477 O ASN A 91 109.014 -20.961 -3.637 1.00 0.00 O ATOM 1478 CB ASN A 91 108.383 -19.026 -6.394 1.00 0.00 C ATOM 1479 CG ASN A 91 107.348 -18.093 -6.996 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.274 -17.862 -6.427 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.657 -17.532 -8.125 1.00 0.00 N ATOM 0 H ASN A 91 109.338 -17.178 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 91 107.381 -19.310 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.373 -18.739 -6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.199 -20.040 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 91 107.007 -16.882 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 91 108.550 -17.742 -8.571 1.00 0.00 H new ATOM 1488 N SER A 92 110.667 -19.748 -4.563 1.00 0.00 N ATOM 1489 CA SER A 92 111.761 -20.663 -4.211 1.00 0.00 C ATOM 1490 C SER A 92 112.104 -20.662 -2.712 1.00 0.00 C ATOM 1491 O SER A 92 113.009 -21.356 -2.289 1.00 0.00 O ATOM 1492 CB SER A 92 113.014 -20.314 -5.028 1.00 0.00 C ATOM 1493 OG SER A 92 112.767 -20.395 -6.440 1.00 0.00 O ATOM 0 H SER A 92 110.982 -18.886 -5.008 1.00 0.00 H new ATOM 0 HA SER A 92 111.414 -21.668 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 92 113.345 -19.307 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.824 -20.993 -4.761 1.00 0.00 H new ATOM 0 HG SER A 92 113.585 -20.165 -6.929 1.00 0.00 H new ATOM 1499 N ILE A 93 111.363 -19.925 -1.914 1.00 0.00 N ATOM 1500 CA ILE A 93 111.650 -19.828 -0.484 1.00 0.00 C ATOM 1501 C ILE A 93 111.290 -21.163 0.219 1.00 0.00 C ATOM 1502 O ILE A 93 111.764 -21.463 1.326 1.00 0.00 O ATOM 1503 CB ILE A 93 110.875 -18.642 0.157 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.502 -18.241 1.491 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.393 -18.965 0.315 1.00 0.00 C ATOM 1506 CD1 ILE A 93 112.883 -17.611 1.342 1.00 0.00 C ATOM 0 H ILE A 93 110.557 -19.382 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 93 112.716 -19.639 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 93 110.950 -17.790 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 93 110.842 -17.537 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.579 -19.122 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 93 108.881 -18.115 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 93 108.959 -19.172 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.277 -19.839 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.272 -17.349 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.557 -18.321 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 93 112.809 -16.712 0.731 1.00 0.00 H new ATOM 1518 N THR A 94 110.440 -21.932 -0.449 1.00 0.00 N ATOM 1519 CA THR A 94 110.031 -23.261 -0.012 1.00 0.00 C ATOM 1520 C THR A 94 111.238 -24.223 0.047 1.00 0.00 C ATOM 1521 O THR A 94 111.309 -25.095 0.918 1.00 0.00 O ATOM 1522 CB THR A 94 108.915 -23.829 -0.949 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.597 -25.189 -0.628 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.322 -23.738 -2.407 1.00 0.00 C ATOM 0 H THR A 94 110.007 -21.644 -1.327 1.00 0.00 H new ATOM 0 HA THR A 94 109.623 -23.174 0.995 1.00 0.00 H new ATOM 0 HB THR A 94 108.028 -23.216 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.895 -25.512 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.526 -24.141 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.499 -22.695 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.234 -24.313 -2.567 1.00 0.00 H new ATOM 1532 N GLN A 95 112.183 -24.034 -0.855 1.00 0.00 N ATOM 1533 CA GLN A 95 113.395 -24.815 -0.899 1.00 0.00 C ATOM 1534 C GLN A 95 114.526 -23.935 -1.423 1.00 0.00 C ATOM 1535 O GLN A 95 114.893 -23.976 -2.607 1.00 0.00 O ATOM 1536 CB GLN A 95 113.234 -26.107 -1.714 1.00 0.00 C ATOM 1537 CG GLN A 95 112.715 -25.908 -3.127 1.00 0.00 C ATOM 1538 CD GLN A 95 112.695 -27.181 -3.920 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.526 -28.265 -3.377 1.00 0.00 O ATOM 1540 NE2 GLN A 95 112.905 -27.075 -5.194 1.00 0.00 N ATOM 0 H GLN A 95 112.125 -23.324 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 95 113.639 -25.146 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 95 114.199 -26.611 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 95 112.554 -26.773 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 95 111.707 -25.495 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 95 113.339 -25.175 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 95 113.042 -26.155 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 95 112.933 -27.911 -5.777 1.00 0.00 H new ATOM 1549 N PRO A 96 115.038 -23.069 -0.562 1.00 0.00 N ATOM 1550 CA PRO A 96 116.033 -22.100 -0.946 1.00 0.00 C ATOM 1551 C PRO A 96 117.402 -22.712 -1.181 1.00 0.00 C ATOM 1552 O PRO A 96 117.686 -23.854 -0.777 1.00 0.00 O ATOM 1553 CB PRO A 96 116.063 -21.132 0.232 1.00 0.00 C ATOM 1554 CG PRO A 96 115.629 -21.940 1.395 1.00 0.00 C ATOM 1555 CD PRO A 96 114.684 -22.963 0.863 1.00 0.00 C ATOM 0 HA PRO A 96 115.785 -21.626 -1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.062 -20.724 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.396 -20.286 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.483 -22.414 1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.144 -21.314 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.800 -23.918 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.647 -22.655 0.995 1.00 0.00 H new ATOM 1563 N THR A 97 118.220 -21.952 -1.817 1.00 0.00 N ATOM 1564 CA THR A 97 119.551 -22.296 -2.139 1.00 0.00 C ATOM 1565 C THR A 97 120.466 -21.293 -1.499 1.00 0.00 C ATOM 1566 O THR A 97 119.999 -20.314 -0.921 1.00 0.00 O ATOM 1567 CB THR A 97 119.739 -22.323 -3.667 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.105 -21.171 -4.260 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.147 -23.580 -4.250 1.00 0.00 C ATOM 0 H THR A 97 117.960 -21.021 -2.143 1.00 0.00 H new ATOM 0 HA THR A 97 119.786 -23.292 -1.763 1.00 0.00 H new ATOM 0 HB THR A 97 120.807 -22.303 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.229 -21.193 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.289 -23.582 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.642 -24.450 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.081 -23.619 -4.024 1.00 0.00 H new ATOM 1577 N LEU A 98 121.744 -21.514 -1.626 1.00 0.00 N ATOM 1578 CA LEU A 98 122.760 -20.720 -0.968 1.00 0.00 C ATOM 1579 C LEU A 98 122.717 -19.230 -1.327 1.00 0.00 C ATOM 1580 O LEU A 98 123.219 -18.389 -0.589 1.00 0.00 O ATOM 1581 CB LEU A 98 124.119 -21.287 -1.282 1.00 0.00 C ATOM 1582 CG LEU A 98 125.128 -21.080 -0.200 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.616 -21.743 1.052 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.450 -21.665 -0.602 1.00 0.00 C ATOM 0 H LEU A 98 122.124 -22.266 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 98 122.554 -20.776 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.020 -22.356 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.488 -20.832 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 98 125.276 -20.015 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.337 -21.605 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 98 123.664 -21.296 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.476 -22.808 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.176 -21.507 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.335 -22.734 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 98 126.801 -21.180 -1.513 1.00 0.00 H new ATOM 1596 N HIS A 99 122.141 -18.906 -2.445 1.00 0.00 N ATOM 1597 CA HIS A 99 122.019 -17.532 -2.838 1.00 0.00 C ATOM 1598 C HIS A 99 120.618 -17.239 -3.351 1.00 0.00 C ATOM 1599 O HIS A 99 120.451 -16.684 -4.414 1.00 0.00 O ATOM 1600 CB HIS A 99 123.090 -17.162 -3.880 1.00 0.00 C ATOM 1601 CG HIS A 99 124.077 -16.115 -3.413 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.698 -15.235 -4.270 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.580 -15.834 -2.177 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.528 -14.470 -3.600 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.481 -14.800 -2.331 1.00 0.00 N ATOM 0 H HIS A 99 121.746 -19.576 -3.105 1.00 0.00 H new ATOM 0 HA HIS A 99 122.186 -16.909 -1.959 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.638 -18.063 -4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.594 -16.801 -4.781 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.537 -15.185 -5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.322 -16.328 -1.252 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.149 -13.695 -4.024 1.00 0.00 H new ATOM 0 HE2 HIS A 99 126.021 -14.365 -1.583 1.00 0.00 H new ATOM 1614 N SER A 100 119.604 -17.595 -2.569 1.00 0.00 N ATOM 1615 CA SER A 100 118.203 -17.295 -2.927 1.00 0.00 C ATOM 1616 C SER A 100 117.889 -15.795 -2.940 1.00 0.00 C ATOM 1617 O SER A 100 116.805 -15.384 -3.326 1.00 0.00 O ATOM 1618 CB SER A 100 117.227 -18.050 -2.022 1.00 0.00 C ATOM 1619 OG SER A 100 117.317 -19.428 -2.284 1.00 0.00 O ATOM 0 H SER A 100 119.715 -18.090 -1.684 1.00 0.00 H new ATOM 0 HA SER A 100 118.072 -17.645 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.457 -17.852 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.209 -17.701 -2.196 1.00 0.00 H new ATOM 0 HG SER A 100 116.498 -19.731 -2.729 1.00 0.00 H new ATOM 1625 N PHE A 101 118.836 -14.990 -2.526 1.00 0.00 N ATOM 1626 CA PHE A 101 118.660 -13.566 -2.542 1.00 0.00 C ATOM 1627 C PHE A 101 119.698 -12.953 -3.473 1.00 0.00 C ATOM 1628 O PHE A 101 119.941 -11.767 -3.429 1.00 0.00 O ATOM 1629 CB PHE A 101 118.805 -12.987 -1.121 1.00 0.00 C ATOM 1630 CG PHE A 101 117.928 -13.654 -0.090 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.549 -13.499 -0.112 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.488 -14.449 0.895 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.755 -14.127 0.832 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.694 -15.074 1.832 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.331 -14.910 1.798 1.00 0.00 C ATOM 0 H PHE A 101 119.740 -15.303 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 101 117.659 -13.327 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.846 -13.076 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.570 -11.923 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.092 -12.883 -0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.559 -14.581 0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.683 -14.000 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.144 -15.693 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.711 -15.399 2.535 1.00 0.00 H new ATOM 1645 N ASP A 102 120.261 -13.783 -4.359 1.00 0.00 N ATOM 1646 CA ASP A 102 121.338 -13.370 -5.295 1.00 0.00 C ATOM 1647 C ASP A 102 120.909 -12.214 -6.171 1.00 0.00 C ATOM 1648 O ASP A 102 121.597 -11.195 -6.258 1.00 0.00 O ATOM 1649 CB ASP A 102 121.759 -14.540 -6.194 1.00 0.00 C ATOM 1650 CG ASP A 102 122.873 -14.186 -7.155 1.00 0.00 C ATOM 1651 OD1 ASP A 102 124.072 -14.339 -6.777 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.589 -13.762 -8.299 1.00 0.00 O ATOM 0 H ASP A 102 119.990 -14.762 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 102 122.181 -13.053 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.079 -15.373 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.894 -14.882 -6.762 1.00 0.00 H new ATOM 1657 N ALA A 103 119.756 -12.357 -6.787 1.00 0.00 N ATOM 1658 CA ALA A 103 119.248 -11.337 -7.681 1.00 0.00 C ATOM 1659 C ALA A 103 118.858 -10.105 -6.896 1.00 0.00 C ATOM 1660 O ALA A 103 119.082 -8.985 -7.328 1.00 0.00 O ATOM 1661 CB ALA A 103 118.066 -11.855 -8.479 1.00 0.00 C ATOM 0 H ALA A 103 119.150 -13.171 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 103 120.038 -11.071 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.703 -11.070 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.376 -12.716 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.269 -12.151 -7.797 1.00 0.00 H new ATOM 1667 N ALA A 104 118.339 -10.324 -5.707 1.00 0.00 N ATOM 1668 CA ALA A 104 117.887 -9.249 -4.852 1.00 0.00 C ATOM 1669 C ALA A 104 119.063 -8.449 -4.330 1.00 0.00 C ATOM 1670 O ALA A 104 118.986 -7.236 -4.179 1.00 0.00 O ATOM 1671 CB ALA A 104 117.024 -9.797 -3.737 1.00 0.00 C ATOM 0 H ALA A 104 118.219 -11.254 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 104 117.272 -8.563 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.690 -8.978 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.157 -10.303 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.602 -10.505 -3.144 1.00 0.00 H new ATOM 1677 N GLN A 105 120.147 -9.145 -4.100 1.00 0.00 N ATOM 1678 CA GLN A 105 121.421 -8.575 -3.715 1.00 0.00 C ATOM 1679 C GLN A 105 121.894 -7.607 -4.794 1.00 0.00 C ATOM 1680 O GLN A 105 122.327 -6.487 -4.501 1.00 0.00 O ATOM 1681 CB GLN A 105 122.398 -9.736 -3.522 1.00 0.00 C ATOM 1682 CG GLN A 105 123.858 -9.397 -3.312 1.00 0.00 C ATOM 1683 CD GLN A 105 124.627 -10.638 -2.936 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.259 -11.744 -3.335 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.684 -10.492 -2.202 1.00 0.00 N ATOM 0 H GLN A 105 120.172 -10.162 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 105 121.345 -8.008 -2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.062 -10.319 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.326 -10.384 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 105 124.274 -8.963 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 105 123.956 -8.647 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.962 -9.562 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 105 126.238 -11.307 -1.938 1.00 0.00 H new ATOM 1694 N SER A 106 121.767 -8.024 -6.030 1.00 0.00 N ATOM 1695 CA SER A 106 122.115 -7.199 -7.155 1.00 0.00 C ATOM 1696 C SER A 106 121.113 -6.040 -7.323 1.00 0.00 C ATOM 1697 O SER A 106 121.498 -4.927 -7.710 1.00 0.00 O ATOM 1698 CB SER A 106 122.195 -8.068 -8.404 1.00 0.00 C ATOM 1699 OG SER A 106 123.117 -9.135 -8.185 1.00 0.00 O ATOM 0 H SER A 106 121.418 -8.949 -6.282 1.00 0.00 H new ATOM 0 HA SER A 106 123.091 -6.743 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 106 121.210 -8.468 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 106 122.513 -7.468 -9.257 1.00 0.00 H new ATOM 0 HG SER A 106 122.709 -9.804 -7.596 1.00 0.00 H new ATOM 1705 N ARG A 107 119.836 -6.297 -7.019 1.00 0.00 N ATOM 1706 CA ARG A 107 118.800 -5.262 -7.092 1.00 0.00 C ATOM 1707 C ARG A 107 119.082 -4.166 -6.112 1.00 0.00 C ATOM 1708 O ARG A 107 119.137 -3.017 -6.473 1.00 0.00 O ATOM 1709 CB ARG A 107 117.400 -5.809 -6.824 1.00 0.00 C ATOM 1710 CG ARG A 107 116.921 -6.852 -7.806 1.00 0.00 C ATOM 1711 CD ARG A 107 117.003 -6.360 -9.230 1.00 0.00 C ATOM 1712 NE ARG A 107 116.519 -7.362 -10.165 1.00 0.00 N ATOM 1713 CZ ARG A 107 117.037 -7.592 -11.371 1.00 0.00 C ATOM 1714 NH1 ARG A 107 118.215 -7.072 -11.713 1.00 0.00 N ATOM 1715 NH2 ARG A 107 116.404 -8.393 -12.205 1.00 0.00 N ATOM 0 H ARG A 107 119.496 -7.211 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 107 118.826 -4.877 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.380 -6.239 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.695 -4.978 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.521 -7.755 -7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.891 -7.124 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 107 116.416 -5.448 -9.336 1.00 0.00 H new ATOM 0 HD3 ARG A 107 118.035 -6.105 -9.470 1.00 0.00 H new ATOM 0 HE ARG A 107 115.724 -7.932 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 107 118.729 -6.492 -11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 107 118.603 -7.254 -12.639 1.00 0.00 H new ATOM 0 HH21 ARG A 107 115.526 -8.830 -11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 107 116.792 -8.576 -13.130 1.00 0.00 H new ATOM 1729 N VAL A 108 119.301 -4.539 -4.883 1.00 0.00 N ATOM 1730 CA VAL A 108 119.553 -3.593 -3.821 1.00 0.00 C ATOM 1731 C VAL A 108 120.851 -2.827 -4.043 1.00 0.00 C ATOM 1732 O VAL A 108 120.942 -1.633 -3.742 1.00 0.00 O ATOM 1733 CB VAL A 108 119.532 -4.299 -2.466 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.941 -3.361 -1.356 1.00 0.00 C ATOM 1735 CG2 VAL A 108 118.133 -4.802 -2.231 1.00 0.00 C ATOM 0 H VAL A 108 119.311 -5.514 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 108 118.753 -2.853 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 108 120.243 -5.125 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.917 -3.891 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.951 -2.996 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 108 119.251 -2.518 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 108 118.087 -5.312 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.439 -3.961 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.858 -5.498 -3.024 1.00 0.00 H new ATOM 1745 N TYR A 109 121.830 -3.501 -4.586 1.00 0.00 N ATOM 1746 CA TYR A 109 123.073 -2.875 -4.964 1.00 0.00 C ATOM 1747 C TYR A 109 122.821 -1.705 -5.947 1.00 0.00 C ATOM 1748 O TYR A 109 123.222 -0.574 -5.687 1.00 0.00 O ATOM 1749 CB TYR A 109 124.019 -3.946 -5.538 1.00 0.00 C ATOM 1750 CG TYR A 109 125.148 -3.444 -6.404 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.949 -3.220 -7.758 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.400 -3.197 -5.880 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.948 -2.764 -8.560 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.422 -2.737 -6.680 1.00 0.00 C ATOM 1755 CZ TYR A 109 127.189 -2.521 -8.019 1.00 0.00 C ATOM 1756 OH TYR A 109 128.204 -2.066 -8.818 1.00 0.00 O ATOM 0 H TYR A 109 121.790 -4.502 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 109 123.554 -2.436 -4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.448 -4.505 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.426 -4.649 -6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.976 -3.413 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.581 -3.367 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.769 -2.594 -9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.399 -2.547 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 109 128.514 -1.196 -8.489 1.00 0.00 H new ATOM 1766 N GLN A 110 122.095 -1.965 -7.027 1.00 0.00 N ATOM 1767 CA GLN A 110 121.836 -0.920 -8.014 1.00 0.00 C ATOM 1768 C GLN A 110 120.840 0.099 -7.479 1.00 0.00 C ATOM 1769 O GLN A 110 120.914 1.285 -7.808 1.00 0.00 O ATOM 1770 CB GLN A 110 121.371 -1.494 -9.351 1.00 0.00 C ATOM 1771 CG GLN A 110 120.175 -2.417 -9.252 1.00 0.00 C ATOM 1772 CD GLN A 110 119.603 -2.784 -10.602 1.00 0.00 C ATOM 1773 OE1 GLN A 110 120.326 -2.854 -11.597 1.00 0.00 O ATOM 1774 NE2 GLN A 110 118.325 -3.025 -10.660 1.00 0.00 N ATOM 0 H GLN A 110 121.681 -2.872 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 110 122.781 -0.410 -8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 110 121.124 -0.670 -10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 110 122.198 -2.038 -9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 110 120.467 -3.327 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.401 -1.938 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.755 -2.958 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 110 117.894 -3.281 -11.548 1.00 0.00 H new ATOM 1783 N LEU A 111 119.931 -0.387 -6.649 1.00 0.00 N ATOM 1784 CA LEU A 111 118.926 0.411 -5.964 1.00 0.00 C ATOM 1785 C LEU A 111 119.609 1.506 -5.152 1.00 0.00 C ATOM 1786 O LEU A 111 119.337 2.690 -5.336 1.00 0.00 O ATOM 1787 CB LEU A 111 118.144 -0.510 -5.024 1.00 0.00 C ATOM 1788 CG LEU A 111 117.023 0.101 -4.215 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.869 0.498 -5.114 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.575 -0.866 -3.134 1.00 0.00 C ATOM 0 H LEU A 111 119.870 -1.380 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 111 118.254 0.873 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.724 -1.320 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.853 -0.960 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 111 117.389 1.007 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.073 0.936 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.213 1.228 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.490 -0.384 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.767 -0.417 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 111 116.222 -1.789 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.413 -1.088 -2.474 1.00 0.00 H new ATOM 1802 N MET A 112 120.536 1.095 -4.287 1.00 0.00 N ATOM 1803 CA MET A 112 121.284 2.024 -3.446 1.00 0.00 C ATOM 1804 C MET A 112 122.096 2.979 -4.284 1.00 0.00 C ATOM 1805 O MET A 112 122.230 4.140 -3.939 1.00 0.00 O ATOM 1806 CB MET A 112 122.208 1.297 -2.468 1.00 0.00 C ATOM 1807 CG MET A 112 121.503 0.543 -1.360 1.00 0.00 C ATOM 1808 SD MET A 112 122.660 -0.289 -0.250 1.00 0.00 S ATOM 1809 CE MET A 112 123.466 -1.405 -1.386 1.00 0.00 C ATOM 0 H MET A 112 120.787 0.116 -4.151 1.00 0.00 H new ATOM 0 HA MET A 112 120.547 2.584 -2.870 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.825 0.595 -3.029 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.882 2.026 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.888 1.236 -0.786 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.829 -0.194 -1.797 1.00 0.00 H new ATOM 0 HE1 MET A 112 124.009 -2.166 -0.825 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.718 -1.884 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.164 -0.847 -2.010 1.00 0.00 H new ATOM 1819 N GLU A 113 122.628 2.486 -5.381 1.00 0.00 N ATOM 1820 CA GLU A 113 123.407 3.294 -6.296 1.00 0.00 C ATOM 1821 C GLU A 113 122.558 4.464 -6.841 1.00 0.00 C ATOM 1822 O GLU A 113 122.790 5.628 -6.501 1.00 0.00 O ATOM 1823 CB GLU A 113 123.964 2.387 -7.418 1.00 0.00 C ATOM 1824 CG GLU A 113 124.974 3.020 -8.386 1.00 0.00 C ATOM 1825 CD GLU A 113 124.358 3.906 -9.440 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.775 3.373 -10.404 1.00 0.00 O ATOM 1827 OE2 GLU A 113 124.460 5.134 -9.344 1.00 0.00 O ATOM 0 H GLU A 113 122.533 1.511 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 113 124.253 3.744 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.437 1.522 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.122 2.014 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 113 125.692 3.605 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.533 2.225 -8.879 1.00 0.00 H new ATOM 1834 N GLN A 114 121.514 4.139 -7.564 1.00 0.00 N ATOM 1835 CA GLN A 114 120.701 5.149 -8.250 1.00 0.00 C ATOM 1836 C GLN A 114 119.897 6.034 -7.292 1.00 0.00 C ATOM 1837 O GLN A 114 119.329 7.044 -7.701 1.00 0.00 O ATOM 1838 CB GLN A 114 119.788 4.481 -9.274 1.00 0.00 C ATOM 1839 CG GLN A 114 118.850 3.438 -8.686 1.00 0.00 C ATOM 1840 CD GLN A 114 118.101 2.659 -9.747 1.00 0.00 C ATOM 1841 OE1 GLN A 114 118.594 2.460 -10.855 1.00 0.00 O ATOM 1842 NE2 GLN A 114 116.926 2.209 -9.427 1.00 0.00 N ATOM 0 H GLN A 114 121.195 3.180 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 114 121.393 5.817 -8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.194 5.249 -9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.404 4.009 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.424 2.745 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.133 3.930 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 114 116.545 2.392 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.383 1.673 -10.104 1.00 0.00 H new ATOM 1851 N ASP A 115 119.845 5.669 -6.046 1.00 0.00 N ATOM 1852 CA ASP A 115 119.099 6.440 -5.070 1.00 0.00 C ATOM 1853 C ASP A 115 119.992 7.127 -4.032 1.00 0.00 C ATOM 1854 O ASP A 115 119.968 8.349 -3.884 1.00 0.00 O ATOM 1855 CB ASP A 115 118.057 5.561 -4.377 1.00 0.00 C ATOM 1856 CG ASP A 115 117.420 6.245 -3.195 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.429 6.980 -3.369 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.912 6.055 -2.069 1.00 0.00 O ATOM 0 H ASP A 115 120.308 4.841 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 115 118.597 7.234 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.283 5.286 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.529 4.636 -4.047 1.00 0.00 H new ATOM 1863 N SER A 116 120.782 6.354 -3.332 1.00 0.00 N ATOM 1864 CA SER A 116 121.551 6.871 -2.223 1.00 0.00 C ATOM 1865 C SER A 116 122.996 7.245 -2.605 1.00 0.00 C ATOM 1866 O SER A 116 123.559 8.145 -2.020 1.00 0.00 O ATOM 1867 CB SER A 116 121.545 5.854 -1.078 1.00 0.00 C ATOM 1868 OG SER A 116 120.212 5.518 -0.693 1.00 0.00 O ATOM 0 H SER A 116 120.912 5.358 -3.510 1.00 0.00 H new ATOM 0 HA SER A 116 121.073 7.798 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.076 4.953 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.081 6.263 -0.222 1.00 0.00 H new ATOM 0 HG SER A 116 119.579 5.904 -1.334 1.00 0.00 H new ATOM 1874 N TYR A 117 123.561 6.589 -3.614 1.00 0.00 N ATOM 1875 CA TYR A 117 124.972 6.779 -4.002 1.00 0.00 C ATOM 1876 C TYR A 117 125.259 8.194 -4.469 1.00 0.00 C ATOM 1877 O TYR A 117 126.282 8.760 -4.129 1.00 0.00 O ATOM 1878 CB TYR A 117 125.314 5.737 -5.052 1.00 0.00 C ATOM 1879 CG TYR A 117 126.568 5.889 -5.882 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.799 5.444 -5.437 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.480 6.391 -7.173 1.00 0.00 C ATOM 1882 CE1 TYR A 117 128.906 5.492 -6.263 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.578 6.461 -7.987 1.00 0.00 C ATOM 1884 CZ TYR A 117 128.784 6.003 -7.533 1.00 0.00 C ATOM 1885 OH TYR A 117 129.866 6.021 -8.366 1.00 0.00 O ATOM 0 H TYR A 117 123.063 5.910 -4.190 1.00 0.00 H new ATOM 0 HA TYR A 117 125.613 6.640 -3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.374 4.773 -4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.472 5.683 -5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.896 5.055 -4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.525 6.734 -7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 117 129.861 5.130 -5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.493 6.875 -8.981 1.00 0.00 H new ATOM 0 HH TYR A 117 129.877 6.862 -8.870 1.00 0.00 H new ATOM 1895 N THR A 118 124.336 8.760 -5.190 1.00 0.00 N ATOM 1896 CA THR A 118 124.467 10.115 -5.701 1.00 0.00 C ATOM 1897 C THR A 118 124.581 11.136 -4.539 1.00 0.00 C ATOM 1898 O THR A 118 125.585 11.880 -4.404 1.00 0.00 O ATOM 1899 CB THR A 118 123.249 10.422 -6.583 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.054 10.027 -5.868 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.332 9.648 -7.888 1.00 0.00 C ATOM 0 H THR A 118 123.462 8.302 -5.448 1.00 0.00 H new ATOM 0 HA THR A 118 125.379 10.198 -6.293 1.00 0.00 H new ATOM 0 HB THR A 118 123.224 11.488 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.266 10.218 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.461 9.876 -8.502 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.238 9.933 -8.423 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.356 8.579 -7.676 1.00 0.00 H new ATOM 1909 N ARG A 119 123.591 11.123 -3.679 1.00 0.00 N ATOM 1910 CA ARG A 119 123.565 11.979 -2.511 1.00 0.00 C ATOM 1911 C ARG A 119 124.679 11.615 -1.516 1.00 0.00 C ATOM 1912 O ARG A 119 125.189 12.470 -0.798 1.00 0.00 O ATOM 1913 CB ARG A 119 122.161 12.020 -1.887 1.00 0.00 C ATOM 1914 CG ARG A 119 121.491 10.667 -1.737 1.00 0.00 C ATOM 1915 CD ARG A 119 120.086 10.808 -1.185 1.00 0.00 C ATOM 1916 NE ARG A 119 119.379 9.523 -1.139 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.015 8.891 -0.013 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.336 9.401 1.169 1.00 0.00 N ATOM 1919 NH2 ARG A 119 118.334 7.749 -0.077 1.00 0.00 N ATOM 0 H ARG A 119 122.776 10.517 -3.768 1.00 0.00 H new ATOM 0 HA ARG A 119 123.783 13.000 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.229 12.487 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 119 121.525 12.659 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.456 10.167 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 119 122.083 10.037 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.132 11.232 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.523 11.509 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 119 119.148 9.078 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.860 10.274 1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.059 8.920 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.088 7.352 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 119 118.059 7.271 0.781 1.00 0.00 H new ATOM 1933 N PHE A 120 125.087 10.357 -1.519 1.00 0.00 N ATOM 1934 CA PHE A 120 126.226 9.920 -0.736 1.00 0.00 C ATOM 1935 C PHE A 120 127.510 10.556 -1.248 1.00 0.00 C ATOM 1936 O PHE A 120 128.344 10.956 -0.469 1.00 0.00 O ATOM 1937 CB PHE A 120 126.339 8.391 -0.703 1.00 0.00 C ATOM 1938 CG PHE A 120 127.685 7.886 -0.280 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.181 8.106 1.000 1.00 0.00 C ATOM 1940 CD2 PHE A 120 128.470 7.210 -1.184 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.434 7.647 1.346 1.00 0.00 C ATOM 1942 CE2 PHE A 120 129.706 6.758 -0.837 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.189 6.974 0.424 1.00 0.00 C ATOM 0 H PHE A 120 124.641 9.617 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 120 126.068 10.253 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 120 125.584 7.996 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.111 7.999 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.583 8.638 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.101 7.035 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.818 7.818 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 120 130.307 6.227 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.170 6.612 0.693 1.00 0.00 H new ATOM 1953 N LEU A 121 127.654 10.676 -2.547 1.00 0.00 N ATOM 1954 CA LEU A 121 128.832 11.336 -3.111 1.00 0.00 C ATOM 1955 C LEU A 121 128.859 12.804 -2.697 1.00 0.00 C ATOM 1956 O LEU A 121 129.919 13.422 -2.606 1.00 0.00 O ATOM 1957 CB LEU A 121 128.864 11.221 -4.637 1.00 0.00 C ATOM 1958 CG LEU A 121 128.957 9.812 -5.214 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.009 9.866 -6.720 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.172 9.096 -4.677 1.00 0.00 C ATOM 0 H LEU A 121 126.984 10.333 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 121 129.716 10.833 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.965 11.693 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.714 11.796 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 121 128.068 9.258 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.075 8.854 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.107 10.346 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.883 10.437 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.220 8.093 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.071 9.649 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.104 9.028 -3.591 1.00 0.00 H new ATOM 1972 N LYS A 122 127.685 13.337 -2.440 1.00 0.00 N ATOM 1973 CA LYS A 122 127.524 14.712 -1.994 1.00 0.00 C ATOM 1974 C LYS A 122 127.524 14.813 -0.438 1.00 0.00 C ATOM 1975 O LYS A 122 127.491 15.912 0.115 1.00 0.00 O ATOM 1976 CB LYS A 122 126.205 15.247 -2.579 1.00 0.00 C ATOM 1977 CG LYS A 122 125.909 16.736 -2.367 1.00 0.00 C ATOM 1978 CD LYS A 122 126.973 17.639 -2.993 1.00 0.00 C ATOM 1979 CE LYS A 122 127.173 17.365 -4.488 1.00 0.00 C ATOM 1980 NZ LYS A 122 125.936 17.515 -5.284 1.00 0.00 N ATOM 0 H LYS A 122 126.806 12.828 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 122 128.364 15.312 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.204 15.050 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.385 14.673 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 122 124.936 16.975 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 122 125.845 16.942 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 122 126.687 18.682 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 122 127.919 17.495 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 122 127.931 18.046 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 122 127.558 16.353 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 126.147 17.349 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 125.229 16.824 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 125.560 18.477 -5.163 1.00 0.00 H new ATOM 1994 N SER A 123 127.535 13.677 0.254 1.00 0.00 N ATOM 1995 CA SER A 123 127.536 13.678 1.724 1.00 0.00 C ATOM 1996 C SER A 123 128.812 14.307 2.283 1.00 0.00 C ATOM 1997 O SER A 123 129.878 14.262 1.651 1.00 0.00 O ATOM 1998 CB SER A 123 127.385 12.263 2.295 1.00 0.00 C ATOM 1999 OG SER A 123 128.549 11.483 2.060 1.00 0.00 O ATOM 0 H SER A 123 127.543 12.749 -0.169 1.00 0.00 H new ATOM 0 HA SER A 123 126.677 14.276 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.193 12.320 3.367 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.521 11.776 1.842 1.00 0.00 H new ATOM 0 HG SER A 123 128.408 10.914 1.275 1.00 0.00 H new ATOM 2005 N ASP A 124 128.706 14.843 3.482 1.00 0.00 N ATOM 2006 CA ASP A 124 129.824 15.497 4.156 1.00 0.00 C ATOM 2007 C ASP A 124 130.948 14.524 4.413 1.00 0.00 C ATOM 2008 O ASP A 124 132.112 14.898 4.342 1.00 0.00 O ATOM 2009 CB ASP A 124 129.395 16.129 5.488 1.00 0.00 C ATOM 2010 CG ASP A 124 128.386 17.231 5.328 1.00 0.00 C ATOM 2011 OD1 ASP A 124 128.775 18.384 5.072 1.00 0.00 O ATOM 2012 OD2 ASP A 124 127.176 16.963 5.448 1.00 0.00 O ATOM 0 H ASP A 124 127.842 14.840 4.023 1.00 0.00 H new ATOM 0 HA ASP A 124 130.171 16.286 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 124 128.977 15.355 6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 124 130.276 16.524 5.995 1.00 0.00 H new ATOM 2017 N ILE A 125 130.602 13.274 4.697 1.00 0.00 N ATOM 2018 CA ILE A 125 131.600 12.255 4.958 1.00 0.00 C ATOM 2019 C ILE A 125 132.404 12.001 3.674 1.00 0.00 C ATOM 2020 O ILE A 125 133.627 11.928 3.706 1.00 0.00 O ATOM 2021 CB ILE A 125 130.949 10.927 5.564 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.996 9.967 6.208 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.100 10.164 4.541 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.892 9.201 5.246 1.00 0.00 C ATOM 0 H ILE A 125 129.638 12.946 4.751 1.00 0.00 H new ATOM 0 HA ILE A 125 132.289 12.608 5.725 1.00 0.00 H new ATOM 0 HB ILE A 125 130.291 11.281 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 125 132.631 10.551 6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 125 131.463 9.245 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.683 9.271 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 125 129.289 10.803 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.723 9.874 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 125 133.576 8.568 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 125 132.278 8.580 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 125 133.464 9.906 4.643 1.00 0.00 H new ATOM 2036 N TYR A 126 131.726 11.968 2.537 1.00 0.00 N ATOM 2037 CA TYR A 126 132.403 11.724 1.290 1.00 0.00 C ATOM 2038 C TYR A 126 133.221 12.953 0.904 1.00 0.00 C ATOM 2039 O TYR A 126 134.367 12.851 0.434 1.00 0.00 O ATOM 2040 CB TYR A 126 131.408 11.398 0.194 1.00 0.00 C ATOM 2041 CG TYR A 126 132.026 10.685 -0.971 1.00 0.00 C ATOM 2042 CD1 TYR A 126 132.909 11.314 -1.821 1.00 0.00 C ATOM 2043 CD2 TYR A 126 131.746 9.367 -1.199 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.475 10.644 -2.858 1.00 0.00 C ATOM 2045 CE2 TYR A 126 132.301 8.692 -2.236 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.162 9.331 -3.060 1.00 0.00 C ATOM 2047 OH TYR A 126 133.666 8.671 -4.119 1.00 0.00 O ATOM 0 H TYR A 126 130.718 12.106 2.460 1.00 0.00 H new ATOM 0 HA TYR A 126 133.068 10.869 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.610 10.781 0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.947 12.322 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.154 12.353 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.066 8.851 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.167 11.146 -3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.057 7.653 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 126 134.624 8.860 -4.196 1.00 0.00 H new ATOM 2057 N LEU A 127 132.655 14.109 1.144 1.00 0.00 N ATOM 2058 CA LEU A 127 133.310 15.366 0.836 1.00 0.00 C ATOM 2059 C LEU A 127 134.493 15.625 1.772 1.00 0.00 C ATOM 2060 O LEU A 127 135.278 16.538 1.559 1.00 0.00 O ATOM 2061 CB LEU A 127 132.311 16.515 0.867 1.00 0.00 C ATOM 2062 CG LEU A 127 131.151 16.419 -0.138 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.283 17.656 -0.080 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.648 16.167 -1.563 1.00 0.00 C ATOM 0 H LEU A 127 131.728 14.211 1.558 1.00 0.00 H new ATOM 0 HA LEU A 127 133.711 15.298 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.892 16.581 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.849 17.445 0.684 1.00 0.00 H new ATOM 0 HG LEU A 127 130.545 15.560 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.470 17.564 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.869 17.764 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 127 130.883 18.533 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 127 130.796 16.106 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.299 16.985 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.204 15.230 -1.594 1.00 0.00 H new ATOM 2076 N ASP A 128 134.585 14.827 2.801 1.00 0.00 N ATOM 2077 CA ASP A 128 135.711 14.830 3.730 1.00 0.00 C ATOM 2078 C ASP A 128 136.833 13.944 3.189 1.00 0.00 C ATOM 2079 O ASP A 128 138.027 14.278 3.303 1.00 0.00 O ATOM 2080 CB ASP A 128 135.249 14.314 5.095 1.00 0.00 C ATOM 2081 CG ASP A 128 136.368 14.148 6.092 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.780 15.153 6.710 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.830 13.001 6.300 1.00 0.00 O ATOM 0 H ASP A 128 133.870 14.137 3.033 1.00 0.00 H new ATOM 0 HA ASP A 128 136.087 15.847 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.510 15.004 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.749 13.355 4.960 1.00 0.00 H new ATOM 2088 N LEU A 129 136.433 12.828 2.562 1.00 0.00 N ATOM 2089 CA LEU A 129 137.372 11.850 1.980 1.00 0.00 C ATOM 2090 C LEU A 129 138.224 12.527 0.916 1.00 0.00 C ATOM 2091 O LEU A 129 139.432 12.356 0.855 1.00 0.00 O ATOM 2092 CB LEU A 129 136.619 10.696 1.290 1.00 0.00 C ATOM 2093 CG LEU A 129 135.493 10.012 2.067 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.784 9.024 1.172 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.013 9.313 3.311 1.00 0.00 C ATOM 0 H LEU A 129 135.452 12.576 2.443 1.00 0.00 H new ATOM 0 HA LEU A 129 137.984 11.462 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.199 11.079 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.350 9.934 1.020 1.00 0.00 H new ATOM 0 HG LEU A 129 134.792 10.781 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.983 8.539 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.364 9.547 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.493 8.272 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.183 8.839 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.742 8.555 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.488 10.043 3.967 1.00 0.00 H new ATOM 2107 N MET A 130 137.574 13.288 0.074 1.00 0.00 N ATOM 2108 CA MET A 130 138.265 13.979 -0.999 1.00 0.00 C ATOM 2109 C MET A 130 138.646 15.404 -0.665 1.00 0.00 C ATOM 2110 O MET A 130 139.725 15.864 -1.038 1.00 0.00 O ATOM 2111 CB MET A 130 137.499 13.929 -2.308 1.00 0.00 C ATOM 2112 CG MET A 130 135.981 14.045 -2.240 1.00 0.00 C ATOM 2113 SD MET A 130 135.256 14.021 -3.875 1.00 0.00 S ATOM 2114 CE MET A 130 135.806 12.411 -4.447 1.00 0.00 C ATOM 0 H MET A 130 136.567 13.449 0.105 1.00 0.00 H new ATOM 0 HA MET A 130 139.196 13.426 -1.124 1.00 0.00 H new ATOM 0 HB2 MET A 130 137.869 14.732 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.743 12.990 -2.805 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.577 13.224 -1.648 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.707 14.969 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 130 135.153 12.067 -5.249 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.828 12.486 -4.819 1.00 0.00 H new ATOM 0 HE3 MET A 130 135.772 11.700 -3.621 1.00 0.00 H new