USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 906 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 106 THR OG1 : rot -10:sc= 0.629 USER MOD Set 1.2: A 108 SER OG : rot 3:sc= 1.18 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -0.365 K(o=1.4,f=-6.7!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= 0.0951 K(o=1.4,f=-6.3!) USER MOD Set 2.2: A 69 SER OG : rot -150:sc= 1.28 USER MOD Set 3.1: A 65 SER OG : rot 15:sc= 2.17 USER MOD Set 3.2: A 67 SER OG : rot -80:sc= 0.153 USER MOD Set 4.1: A 48 GLN : amide:sc= 0.787 K(o=2,f=-7.5!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0) USER MOD Set 5.1: A 20 GLN : amide:sc= 0 K(o=-0.01,f=-0.77) USER MOD Set 5.2: A 35 THR OG1 : rot 180:sc= -0.0105 USER MOD Set 6.1: A 2 SER OG : rot 162:sc= 0.367 USER MOD Set 6.2: A 3 HIS : no HE2:sc= 0.244 K(o=0.61,f=-3.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -164:sc= -0.066 (180deg=-0.399) USER MOD Single : A 11 CYS SG : rot -150:sc= -0.311 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= 0.363 (180deg=-0.307) USER MOD Single : A 18 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-2.5) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 25 SER OG : rot 2:sc= 0.635 USER MOD Single : A 26 SER OG : rot -30:sc= 0.899 USER MOD Single : A 29 GLN : amide:sc= 0.866 K(o=0.87,f=-7.1!) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0243 (180deg=-0.21) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.12) USER MOD Single : A 44 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 46 TYR OH : rot -85:sc= 0.464 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 74:sc= 1.25 USER MOD Single : A 59 SER OG : rot -160:sc= 0 USER MOD Single : A 62 SER OG : rot 118:sc= -1.98! USER MOD Single : A 63 GLN : amide:sc= -1.02 K(o=-1,f=-0.00077) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0269 (180deg=-0.184) USER MOD Single : A 80 SER OG : rot 102:sc= 1.35 USER MOD Single : A 83 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.79) USER MOD Single : A 84 MET CE :methyl -106:sc= -0.299 (180deg=-1.31) USER MOD Single : A 85 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.081) USER MOD Single : A 86 LYS NZ :NH3+ -129:sc= 1.31 (180deg=0.934) USER MOD Single : A 92 SER OG : rot 81:sc= 1.04 USER MOD Single : A 97 THR OG1 : rot -64:sc= 1.26 USER MOD Single : A 100 MET CE :methyl 169:sc= -0.243 (180deg=-0.53) USER MOD Single : A 101 SER OG : rot 180:sc= -0.586 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.635 28.747 -7.955 1.00 43.04 N ATOM 2 CA GLY A 1 7.561 27.305 -7.641 1.00 42.42 C ATOM 3 C GLY A 1 6.894 26.525 -8.750 1.00 73.11 C ATOM 4 O GLY A 1 5.705 26.212 -8.672 1.00 75.41 O ATOM 0 H1 GLY A 1 8.099 29.250 -7.171 1.00 43.04 H new ATOM 0 H2 GLY A 1 8.184 28.885 -8.828 1.00 43.04 H new ATOM 0 H3 GLY A 1 6.675 29.123 -8.087 1.00 43.04 H new ATOM 0 HA2 GLY A 1 8.566 26.916 -7.476 1.00 42.42 H new ATOM 0 HA3 GLY A 1 7.008 27.163 -6.712 1.00 42.42 H new ATOM 10 N SER A 2 7.660 26.214 -9.784 1.00 44.32 N ATOM 11 CA SER A 2 7.151 25.484 -10.932 1.00 53.23 C ATOM 12 C SER A 2 6.720 24.081 -10.532 1.00 64.33 C ATOM 13 O SER A 2 5.606 23.647 -10.828 1.00 60.02 O ATOM 14 CB SER A 2 8.229 25.418 -12.019 1.00 61.11 C ATOM 15 OG SER A 2 9.446 24.892 -11.500 1.00 45.33 O ATOM 0 H SER A 2 8.648 26.460 -9.850 1.00 44.32 H new ATOM 0 HA SER A 2 6.278 26.008 -11.321 1.00 53.23 H new ATOM 0 HB2 SER A 2 7.882 24.795 -12.843 1.00 61.11 H new ATOM 0 HB3 SER A 2 8.403 26.415 -12.424 1.00 61.11 H new ATOM 0 HG SER A 2 10.014 24.590 -12.240 1.00 45.33 H new ATOM 21 N HIS A 3 7.596 23.391 -9.842 1.00 22.23 N ATOM 22 CA HIS A 3 7.331 22.043 -9.407 1.00 21.13 C ATOM 23 C HIS A 3 7.249 21.984 -7.888 1.00 31.14 C ATOM 24 O HIS A 3 8.264 21.956 -7.195 1.00 74.34 O ATOM 25 CB HIS A 3 8.392 21.066 -9.966 1.00 24.21 C ATOM 26 CG HIS A 3 9.820 21.435 -9.656 1.00 24.44 C ATOM 27 ND1 HIS A 3 10.503 22.434 -10.319 1.00 62.35 N ATOM 28 CD2 HIS A 3 10.691 20.929 -8.752 1.00 24.23 C ATOM 29 CE1 HIS A 3 11.726 22.524 -9.838 1.00 44.51 C ATOM 30 NE2 HIS A 3 11.866 21.624 -8.886 1.00 41.34 N ATOM 0 H HIS A 3 8.511 23.748 -9.567 1.00 22.23 H new ATOM 0 HA HIS A 3 6.365 21.729 -9.803 1.00 21.13 H new ATOM 0 HB2 HIS A 3 8.194 20.071 -9.567 1.00 24.21 H new ATOM 0 HB3 HIS A 3 8.274 21.005 -11.048 1.00 24.21 H new ATOM 0 HD1 HIS A 3 10.120 23.013 -11.066 1.00 62.35 H new ATOM 0 HD2 HIS A 3 10.497 20.127 -8.055 1.00 24.23 H new ATOM 0 HE1 HIS A 3 12.485 23.218 -10.168 1.00 44.51 H new ATOM 39 N MET A 4 6.039 22.005 -7.379 1.00 24.22 N ATOM 40 CA MET A 4 5.819 21.965 -5.948 1.00 61.30 C ATOM 41 C MET A 4 4.796 20.904 -5.599 1.00 5.34 C ATOM 42 O MET A 4 3.629 20.999 -5.989 1.00 2.13 O ATOM 43 CB MET A 4 5.361 23.330 -5.426 1.00 74.33 C ATOM 44 CG MET A 4 5.118 23.355 -3.922 1.00 53.45 C ATOM 45 SD MET A 4 4.495 24.948 -3.332 1.00 35.34 S ATOM 46 CE MET A 4 5.878 26.021 -3.710 1.00 21.32 C ATOM 0 H MET A 4 5.186 22.050 -7.937 1.00 24.22 H new ATOM 0 HA MET A 4 6.765 21.714 -5.469 1.00 61.30 H new ATOM 0 HB2 MET A 4 6.114 24.077 -5.677 1.00 74.33 H new ATOM 0 HB3 MET A 4 4.443 23.617 -5.939 1.00 74.33 H new ATOM 0 HG2 MET A 4 4.404 22.573 -3.662 1.00 53.45 H new ATOM 0 HG3 MET A 4 6.049 23.121 -3.405 1.00 53.45 H new ATOM 0 HE1 MET A 4 5.773 26.957 -3.162 1.00 21.32 H new ATOM 0 HE2 MET A 4 6.808 25.532 -3.419 1.00 21.32 H new ATOM 0 HE3 MET A 4 5.897 26.227 -4.780 1.00 21.32 H new ATOM 56 N GLU A 5 5.243 19.898 -4.883 1.00 2.33 N ATOM 57 CA GLU A 5 4.391 18.811 -4.451 1.00 22.11 C ATOM 58 C GLU A 5 3.305 19.331 -3.503 1.00 73.51 C ATOM 59 O GLU A 5 3.562 20.231 -2.691 1.00 61.21 O ATOM 60 CB GLU A 5 5.223 17.725 -3.745 1.00 41.42 C ATOM 61 CG GLU A 5 6.505 17.323 -4.480 1.00 10.22 C ATOM 62 CD GLU A 5 7.681 18.234 -4.167 1.00 24.12 C ATOM 63 OE1 GLU A 5 7.814 19.299 -4.813 1.00 74.41 O ATOM 64 OE2 GLU A 5 8.481 17.891 -3.272 1.00 74.14 O ATOM 0 H GLU A 5 6.213 19.809 -4.582 1.00 2.33 H new ATOM 0 HA GLU A 5 3.916 18.376 -5.330 1.00 22.11 H new ATOM 0 HB2 GLU A 5 5.487 18.079 -2.749 1.00 41.42 H new ATOM 0 HB3 GLU A 5 4.602 16.839 -3.614 1.00 41.42 H new ATOM 0 HG2 GLU A 5 6.765 16.299 -4.212 1.00 10.22 H new ATOM 0 HG3 GLU A 5 6.320 17.334 -5.554 1.00 10.22 H new ATOM 71 N PRO A 6 2.079 18.794 -3.607 1.00 15.23 N ATOM 72 CA PRO A 6 0.962 19.198 -2.747 1.00 25.34 C ATOM 73 C PRO A 6 1.240 18.897 -1.275 1.00 55.22 C ATOM 74 O PRO A 6 1.699 17.809 -0.934 1.00 40.32 O ATOM 75 CB PRO A 6 -0.213 18.346 -3.253 1.00 5.53 C ATOM 76 CG PRO A 6 0.421 17.213 -3.983 1.00 63.44 C ATOM 77 CD PRO A 6 1.685 17.757 -4.573 1.00 42.41 C ATOM 0 HA PRO A 6 0.775 20.271 -2.797 1.00 25.34 H new ATOM 0 HB2 PRO A 6 -0.827 17.989 -2.426 1.00 5.53 H new ATOM 0 HB3 PRO A 6 -0.865 18.923 -3.909 1.00 5.53 H new ATOM 0 HG2 PRO A 6 0.631 16.383 -3.308 1.00 63.44 H new ATOM 0 HG3 PRO A 6 -0.240 16.832 -4.761 1.00 63.44 H new ATOM 0 HD2 PRO A 6 2.449 16.986 -4.672 1.00 42.41 H new ATOM 0 HD3 PRO A 6 1.521 18.173 -5.567 1.00 42.41 H new ATOM 85 N ALA A 7 0.971 19.870 -0.412 1.00 44.03 N ATOM 86 CA ALA A 7 1.201 19.709 1.019 1.00 51.31 C ATOM 87 C ALA A 7 0.246 18.683 1.602 1.00 0.33 C ATOM 88 O ALA A 7 0.653 17.792 2.340 1.00 62.45 O ATOM 89 CB ALA A 7 1.058 21.041 1.737 1.00 0.34 C ATOM 0 H ALA A 7 0.593 20.779 -0.678 1.00 44.03 H new ATOM 0 HA ALA A 7 2.220 19.349 1.163 1.00 51.31 H new ATOM 0 HB1 ALA A 7 1.233 20.900 2.804 1.00 0.34 H new ATOM 0 HB2 ALA A 7 1.786 21.748 1.340 1.00 0.34 H new ATOM 0 HB3 ALA A 7 0.052 21.431 1.583 1.00 0.34 H new ATOM 95 N ARG A 8 -1.026 18.819 1.273 1.00 23.13 N ATOM 96 CA ARG A 8 -2.033 17.879 1.718 1.00 43.24 C ATOM 97 C ARG A 8 -2.520 17.067 0.539 1.00 51.21 C ATOM 98 O ARG A 8 -3.388 17.511 -0.220 1.00 70.44 O ATOM 99 CB ARG A 8 -3.212 18.601 2.375 1.00 14.42 C ATOM 100 CG ARG A 8 -2.836 19.421 3.592 1.00 34.01 C ATOM 101 CD ARG A 8 -4.059 20.068 4.211 1.00 62.32 C ATOM 102 NE ARG A 8 -3.716 20.898 5.360 1.00 35.12 N ATOM 103 CZ ARG A 8 -4.555 21.205 6.347 1.00 73.00 C ATOM 104 NH1 ARG A 8 -5.800 20.731 6.340 1.00 43.42 N ATOM 105 NH2 ARG A 8 -4.149 21.983 7.344 1.00 10.53 N ATOM 0 H ARG A 8 -1.386 19.578 0.695 1.00 23.13 H new ATOM 0 HA ARG A 8 -1.585 17.219 2.461 1.00 43.24 H new ATOM 0 HB2 ARG A 8 -3.679 19.256 1.639 1.00 14.42 H new ATOM 0 HB3 ARG A 8 -3.960 17.863 2.665 1.00 14.42 H new ATOM 0 HG2 ARG A 8 -2.346 18.783 4.328 1.00 34.01 H new ATOM 0 HG3 ARG A 8 -2.118 20.190 3.309 1.00 34.01 H new ATOM 0 HD2 ARG A 8 -4.565 20.677 3.462 1.00 62.32 H new ATOM 0 HD3 ARG A 8 -4.761 19.294 4.520 1.00 62.32 H new ATOM 0 HE ARG A 8 -2.767 21.269 5.411 1.00 35.12 H new ATOM 0 HH11 ARG A 8 -6.113 20.131 5.577 1.00 43.42 H new ATOM 0 HH12 ARG A 8 -6.440 20.968 7.098 1.00 43.42 H new ATOM 0 HH21 ARG A 8 -3.195 22.345 7.353 1.00 10.53 H new ATOM 0 HH22 ARG A 8 -4.791 22.219 8.101 1.00 10.53 H new ATOM 119 N VAL A 9 -1.952 15.898 0.367 1.00 41.21 N ATOM 120 CA VAL A 9 -2.293 15.051 -0.753 1.00 51.31 C ATOM 121 C VAL A 9 -3.071 13.821 -0.286 1.00 51.02 C ATOM 122 O VAL A 9 -2.841 13.312 0.813 1.00 34.35 O ATOM 123 CB VAL A 9 -1.022 14.617 -1.538 1.00 42.13 C ATOM 124 CG1 VAL A 9 -0.096 13.775 -0.672 1.00 21.34 C ATOM 125 CG2 VAL A 9 -1.389 13.880 -2.817 1.00 44.12 C ATOM 0 H VAL A 9 -1.247 15.508 0.992 1.00 41.21 H new ATOM 0 HA VAL A 9 -2.927 15.631 -1.424 1.00 51.31 H new ATOM 0 HB VAL A 9 -0.484 15.524 -1.816 1.00 42.13 H new ATOM 0 HG11 VAL A 9 0.782 13.488 -1.250 1.00 21.34 H new ATOM 0 HG12 VAL A 9 0.215 14.354 0.197 1.00 21.34 H new ATOM 0 HG13 VAL A 9 -0.621 12.879 -0.342 1.00 21.34 H new ATOM 0 HG21 VAL A 9 -0.480 13.590 -3.343 1.00 44.12 H new ATOM 0 HG22 VAL A 9 -1.966 12.989 -2.571 1.00 44.12 H new ATOM 0 HG23 VAL A 9 -1.985 14.533 -3.455 1.00 44.12 H new ATOM 135 N ARG A 10 -4.004 13.376 -1.108 1.00 71.30 N ATOM 136 CA ARG A 10 -4.798 12.208 -0.798 1.00 14.44 C ATOM 137 C ARG A 10 -4.416 11.057 -1.709 1.00 51.34 C ATOM 138 O ARG A 10 -4.513 11.160 -2.939 1.00 13.55 O ATOM 139 CB ARG A 10 -6.286 12.517 -0.939 1.00 45.33 C ATOM 140 CG ARG A 10 -7.184 11.314 -0.715 1.00 33.33 C ATOM 141 CD ARG A 10 -8.647 11.678 -0.857 1.00 22.04 C ATOM 142 NE ARG A 10 -9.515 10.519 -0.663 1.00 74.52 N ATOM 143 CZ ARG A 10 -10.838 10.530 -0.837 1.00 55.14 C ATOM 144 NH1 ARG A 10 -11.459 11.655 -1.180 1.00 44.51 N ATOM 145 NH2 ARG A 10 -11.538 9.418 -0.654 1.00 10.20 N ATOM 0 H ARG A 10 -4.229 13.812 -2.002 1.00 71.30 H new ATOM 0 HA ARG A 10 -4.600 11.922 0.235 1.00 14.44 H new ATOM 0 HB2 ARG A 10 -6.555 13.297 -0.227 1.00 45.33 H new ATOM 0 HB3 ARG A 10 -6.472 12.917 -1.936 1.00 45.33 H new ATOM 0 HG2 ARG A 10 -6.932 10.532 -1.431 1.00 33.33 H new ATOM 0 HG3 ARG A 10 -7.005 10.905 0.279 1.00 33.33 H new ATOM 0 HD2 ARG A 10 -8.902 12.449 -0.130 1.00 22.04 H new ATOM 0 HD3 ARG A 10 -8.822 12.102 -1.846 1.00 22.04 H new ATOM 0 HE ARG A 10 -9.080 9.642 -0.375 1.00 74.52 H new ATOM 0 HH11 ARG A 10 -10.924 12.513 -1.311 1.00 44.51 H new ATOM 0 HH12 ARG A 10 -12.470 11.659 -1.312 1.00 44.51 H new ATOM 0 HH21 ARG A 10 -11.065 8.557 -0.381 1.00 10.20 H new ATOM 0 HH22 ARG A 10 -12.549 9.424 -0.786 1.00 10.20 H new ATOM 159 N CYS A 11 -3.974 9.974 -1.112 1.00 52.12 N ATOM 160 CA CYS A 11 -3.565 8.810 -1.863 1.00 22.10 C ATOM 161 C CYS A 11 -4.147 7.548 -1.244 1.00 50.31 C ATOM 162 O CYS A 11 -4.460 7.516 -0.054 1.00 32.32 O ATOM 163 CB CYS A 11 -2.035 8.709 -1.894 1.00 62.45 C ATOM 164 SG CYS A 11 -1.202 10.186 -2.526 1.00 23.13 S ATOM 0 H CYS A 11 -3.888 9.875 -0.100 1.00 52.12 H new ATOM 0 HA CYS A 11 -3.938 8.911 -2.882 1.00 22.10 H new ATOM 0 HB2 CYS A 11 -1.676 8.508 -0.885 1.00 62.45 H new ATOM 0 HB3 CYS A 11 -1.752 7.855 -2.510 1.00 62.45 H new ATOM 0 HG CYS A 11 -0.087 9.843 -3.100 1.00 23.13 H new ATOM 170 N SER A 12 -4.306 6.532 -2.052 1.00 43.41 N ATOM 171 CA SER A 12 -4.762 5.252 -1.580 1.00 62.34 C ATOM 172 C SER A 12 -3.548 4.355 -1.387 1.00 22.42 C ATOM 173 O SER A 12 -2.546 4.508 -2.091 1.00 24.53 O ATOM 174 CB SER A 12 -5.741 4.641 -2.579 1.00 41.01 C ATOM 175 OG SER A 12 -6.829 5.523 -2.818 1.00 63.53 O ATOM 0 H SER A 12 -4.123 6.569 -3.055 1.00 43.41 H new ATOM 0 HA SER A 12 -5.287 5.363 -0.631 1.00 62.34 H new ATOM 0 HB2 SER A 12 -5.227 4.427 -3.516 1.00 41.01 H new ATOM 0 HB3 SER A 12 -6.114 3.691 -2.196 1.00 41.01 H new ATOM 0 HG SER A 12 -7.445 5.115 -3.462 1.00 63.53 H new ATOM 181 N HIS A 13 -3.614 3.442 -0.441 1.00 31.23 N ATOM 182 CA HIS A 13 -2.468 2.601 -0.154 1.00 41.21 C ATOM 183 C HIS A 13 -2.868 1.215 0.318 1.00 34.02 C ATOM 184 O HIS A 13 -3.776 1.055 1.128 1.00 74.21 O ATOM 185 CB HIS A 13 -1.532 3.276 0.872 1.00 2.51 C ATOM 186 CG HIS A 13 -2.113 3.479 2.256 1.00 2.30 C ATOM 187 ND1 HIS A 13 -1.335 3.522 3.393 1.00 30.14 N ATOM 188 CD2 HIS A 13 -3.391 3.658 2.679 1.00 53.02 C ATOM 189 CE1 HIS A 13 -2.104 3.713 4.445 1.00 5.11 C ATOM 190 NE2 HIS A 13 -3.352 3.800 4.041 1.00 60.53 N ATOM 0 H HIS A 13 -4.436 3.263 0.136 1.00 31.23 H new ATOM 0 HA HIS A 13 -1.928 2.476 -1.092 1.00 41.21 H new ATOM 0 HB2 HIS A 13 -0.628 2.674 0.962 1.00 2.51 H new ATOM 0 HB3 HIS A 13 -1.231 4.247 0.478 1.00 2.51 H new ATOM 0 HD1 HIS A 13 -0.320 3.421 3.416 1.00 30.14 H new ATOM 0 HD2 HIS A 13 -4.274 3.684 2.057 1.00 53.02 H new ATOM 0 HE1 HIS A 13 -1.766 3.786 5.468 1.00 5.11 H new ATOM 199 N LEU A 14 -2.178 0.225 -0.201 1.00 52.32 N ATOM 200 CA LEU A 14 -2.398 -1.155 0.179 1.00 4.31 C ATOM 201 C LEU A 14 -1.233 -1.618 1.045 1.00 0.31 C ATOM 202 O LEU A 14 -0.088 -1.234 0.803 1.00 70.42 O ATOM 203 CB LEU A 14 -2.536 -2.033 -1.091 1.00 31.43 C ATOM 204 CG LEU A 14 -2.949 -3.508 -0.889 1.00 4.35 C ATOM 205 CD1 LEU A 14 -3.585 -4.048 -2.160 1.00 3.33 C ATOM 206 CD2 LEU A 14 -1.748 -4.370 -0.517 1.00 63.32 C ATOM 0 H LEU A 14 -1.446 0.353 -0.900 1.00 52.32 H new ATOM 0 HA LEU A 14 -3.321 -1.247 0.752 1.00 4.31 H new ATOM 0 HB2 LEU A 14 -3.269 -1.564 -1.748 1.00 31.43 H new ATOM 0 HB3 LEU A 14 -1.581 -2.019 -1.617 1.00 31.43 H new ATOM 0 HG LEU A 14 -3.669 -3.547 -0.072 1.00 4.35 H new ATOM 0 HD11 LEU A 14 -3.873 -5.088 -2.009 1.00 3.33 H new ATOM 0 HD12 LEU A 14 -4.469 -3.458 -2.404 1.00 3.33 H new ATOM 0 HD13 LEU A 14 -2.870 -3.985 -2.980 1.00 3.33 H new ATOM 0 HD21 LEU A 14 -2.069 -5.403 -0.381 1.00 63.32 H new ATOM 0 HD22 LEU A 14 -1.006 -4.323 -1.314 1.00 63.32 H new ATOM 0 HD23 LEU A 14 -1.309 -4.002 0.410 1.00 63.32 H new ATOM 218 N LEU A 15 -1.527 -2.395 2.066 1.00 44.42 N ATOM 219 CA LEU A 15 -0.503 -2.927 2.950 1.00 45.41 C ATOM 220 C LEU A 15 -0.727 -4.408 3.172 1.00 53.11 C ATOM 221 O LEU A 15 -1.823 -4.825 3.545 1.00 4.43 O ATOM 222 CB LEU A 15 -0.507 -2.166 4.303 1.00 61.04 C ATOM 223 CG LEU A 15 0.535 -2.596 5.378 1.00 14.01 C ATOM 224 CD1 LEU A 15 0.092 -3.841 6.131 1.00 52.22 C ATOM 225 CD2 LEU A 15 1.905 -2.818 4.753 1.00 55.04 C ATOM 0 H LEU A 15 -2.477 -2.677 2.309 1.00 44.42 H new ATOM 0 HA LEU A 15 0.472 -2.788 2.482 1.00 45.41 H new ATOM 0 HB2 LEU A 15 -0.355 -1.107 4.093 1.00 61.04 H new ATOM 0 HB3 LEU A 15 -1.500 -2.265 4.740 1.00 61.04 H new ATOM 0 HG LEU A 15 0.606 -1.779 6.096 1.00 14.01 H new ATOM 0 HD11 LEU A 15 0.847 -4.107 6.871 1.00 52.22 H new ATOM 0 HD12 LEU A 15 -0.855 -3.645 6.633 1.00 52.22 H new ATOM 0 HD13 LEU A 15 -0.034 -4.665 5.429 1.00 52.22 H new ATOM 0 HD21 LEU A 15 2.613 -3.117 5.526 1.00 55.04 H new ATOM 0 HD22 LEU A 15 1.838 -3.602 3.999 1.00 55.04 H new ATOM 0 HD23 LEU A 15 2.246 -1.894 4.286 1.00 55.04 H new ATOM 237 N VAL A 16 0.298 -5.194 2.936 1.00 21.04 N ATOM 238 CA VAL A 16 0.226 -6.616 3.171 1.00 1.14 C ATOM 239 C VAL A 16 1.316 -7.044 4.157 1.00 62.54 C ATOM 240 O VAL A 16 2.498 -6.697 3.995 1.00 45.20 O ATOM 241 CB VAL A 16 0.338 -7.431 1.849 1.00 63.23 C ATOM 242 CG1 VAL A 16 1.685 -7.215 1.176 1.00 45.41 C ATOM 243 CG2 VAL A 16 0.089 -8.913 2.100 1.00 71.41 C ATOM 0 H VAL A 16 1.197 -4.869 2.579 1.00 21.04 H new ATOM 0 HA VAL A 16 -0.752 -6.830 3.602 1.00 1.14 H new ATOM 0 HB VAL A 16 -0.434 -7.066 1.171 1.00 63.23 H new ATOM 0 HG11 VAL A 16 1.730 -7.798 0.256 1.00 45.41 H new ATOM 0 HG12 VAL A 16 1.809 -6.158 0.942 1.00 45.41 H new ATOM 0 HG13 VAL A 16 2.482 -7.534 1.847 1.00 45.41 H new ATOM 0 HG21 VAL A 16 0.173 -9.460 1.161 1.00 71.41 H new ATOM 0 HG22 VAL A 16 0.827 -9.291 2.808 1.00 71.41 H new ATOM 0 HG23 VAL A 16 -0.911 -9.049 2.511 1.00 71.41 H new ATOM 253 N LYS A 17 0.915 -7.744 5.194 1.00 30.45 N ATOM 254 CA LYS A 17 1.851 -8.234 6.182 1.00 3.12 C ATOM 255 C LYS A 17 2.331 -9.635 5.832 1.00 4.13 C ATOM 256 O LYS A 17 1.829 -10.269 4.901 1.00 30.41 O ATOM 257 CB LYS A 17 1.244 -8.213 7.587 1.00 52.41 C ATOM 258 CG LYS A 17 1.116 -6.820 8.184 1.00 51.20 C ATOM 259 CD LYS A 17 0.680 -6.882 9.638 1.00 5.11 C ATOM 260 CE LYS A 17 0.685 -5.505 10.290 1.00 3.42 C ATOM 261 NZ LYS A 17 -0.330 -4.599 9.696 1.00 4.12 N ATOM 0 H LYS A 17 -0.058 -7.988 5.376 1.00 30.45 H new ATOM 0 HA LYS A 17 2.710 -7.563 6.176 1.00 3.12 H new ATOM 0 HB2 LYS A 17 0.257 -8.675 7.552 1.00 52.41 H new ATOM 0 HB3 LYS A 17 1.859 -8.825 8.247 1.00 52.41 H new ATOM 0 HG2 LYS A 17 2.072 -6.301 8.110 1.00 51.20 H new ATOM 0 HG3 LYS A 17 0.393 -6.241 7.610 1.00 51.20 H new ATOM 0 HD2 LYS A 17 -0.321 -7.309 9.699 1.00 5.11 H new ATOM 0 HD3 LYS A 17 1.345 -7.547 10.189 1.00 5.11 H new ATOM 0 HE2 LYS A 17 0.495 -5.610 11.358 1.00 3.42 H new ATOM 0 HE3 LYS A 17 1.674 -5.059 10.185 1.00 3.42 H new ATOM 0 HZ1 LYS A 17 0.148 -3.844 9.164 1.00 4.12 H new ATOM 0 HZ2 LYS A 17 -0.944 -5.139 9.054 1.00 4.12 H new ATOM 0 HZ3 LYS A 17 -0.905 -4.178 10.453 1.00 4.12 H new ATOM 275 N HIS A 18 3.312 -10.109 6.574 1.00 32.22 N ATOM 276 CA HIS A 18 3.897 -11.412 6.340 1.00 72.55 C ATOM 277 C HIS A 18 4.451 -11.965 7.632 1.00 70.12 C ATOM 278 O HIS A 18 4.632 -11.224 8.587 1.00 21.20 O ATOM 279 CB HIS A 18 4.997 -11.346 5.250 1.00 45.21 C ATOM 280 CG HIS A 18 5.739 -10.029 5.164 1.00 64.22 C ATOM 281 ND1 HIS A 18 6.809 -9.698 5.966 1.00 73.12 N ATOM 282 CD2 HIS A 18 5.552 -8.964 4.341 1.00 73.13 C ATOM 283 CE1 HIS A 18 7.244 -8.494 5.643 1.00 70.31 C ATOM 284 NE2 HIS A 18 6.501 -8.028 4.661 1.00 52.35 N ATOM 0 H HIS A 18 3.725 -9.601 7.356 1.00 32.22 H new ATOM 0 HA HIS A 18 3.117 -12.081 5.976 1.00 72.55 H new ATOM 0 HB2 HIS A 18 5.719 -12.141 5.437 1.00 45.21 H new ATOM 0 HB3 HIS A 18 4.540 -11.552 4.282 1.00 45.21 H new ATOM 0 HD2 HIS A 18 4.795 -8.872 3.576 1.00 73.13 H new ATOM 0 HE1 HIS A 18 8.071 -7.978 6.107 1.00 70.31 H new ATOM 0 HE2 HIS A 18 6.613 -7.119 4.212 1.00 52.35 H new ATOM 293 N SER A 19 4.701 -13.269 7.661 1.00 74.35 N ATOM 294 CA SER A 19 5.231 -13.931 8.848 1.00 53.45 C ATOM 295 C SER A 19 6.517 -13.244 9.305 1.00 73.52 C ATOM 296 O SER A 19 6.728 -13.009 10.497 1.00 63.30 O ATOM 297 CB SER A 19 5.479 -15.419 8.557 1.00 52.44 C ATOM 298 OG SER A 19 5.792 -16.134 9.737 1.00 3.00 O ATOM 0 H SER A 19 4.544 -13.893 6.870 1.00 74.35 H new ATOM 0 HA SER A 19 4.500 -13.857 9.653 1.00 53.45 H new ATOM 0 HB2 SER A 19 4.593 -15.852 8.092 1.00 52.44 H new ATOM 0 HB3 SER A 19 6.296 -15.520 7.842 1.00 52.44 H new ATOM 0 HG SER A 19 5.942 -17.077 9.518 1.00 3.00 H new ATOM 304 N GLN A 20 7.358 -12.892 8.343 1.00 52.31 N ATOM 305 CA GLN A 20 8.593 -12.192 8.630 1.00 20.21 C ATOM 306 C GLN A 20 8.331 -10.688 8.746 1.00 73.54 C ATOM 307 O GLN A 20 8.805 -9.904 7.933 1.00 12.23 O ATOM 308 CB GLN A 20 9.624 -12.447 7.529 1.00 60.04 C ATOM 309 CG GLN A 20 9.914 -13.913 7.267 1.00 70.51 C ATOM 310 CD GLN A 20 10.963 -14.103 6.192 1.00 53.32 C ATOM 311 OE1 GLN A 20 10.646 -14.183 5.003 1.00 74.10 O ATOM 312 NE2 GLN A 20 12.213 -14.178 6.600 1.00 32.54 N ATOM 0 H GLN A 20 7.202 -13.083 7.353 1.00 52.31 H new ATOM 0 HA GLN A 20 8.986 -12.565 9.576 1.00 20.21 H new ATOM 0 HB2 GLN A 20 9.271 -11.989 6.605 1.00 60.04 H new ATOM 0 HB3 GLN A 20 10.555 -11.948 7.798 1.00 60.04 H new ATOM 0 HG2 GLN A 20 10.251 -14.386 8.189 1.00 70.51 H new ATOM 0 HG3 GLN A 20 8.994 -14.416 6.968 1.00 70.51 H new ATOM 0 HE21 GLN A 20 12.430 -14.107 7.594 1.00 32.54 H new ATOM 0 HE22 GLN A 20 12.964 -14.307 5.922 1.00 32.54 H new ATOM 321 N SER A 21 7.524 -10.306 9.712 1.00 50.54 N ATOM 322 CA SER A 21 7.225 -8.910 9.953 1.00 62.41 C ATOM 323 C SER A 21 7.302 -8.626 11.443 1.00 0.03 C ATOM 324 O SER A 21 7.312 -9.556 12.256 1.00 14.24 O ATOM 325 CB SER A 21 5.832 -8.562 9.410 1.00 40.41 C ATOM 326 OG SER A 21 5.556 -7.175 9.526 1.00 34.21 O ATOM 0 H SER A 21 7.058 -10.951 10.350 1.00 50.54 H new ATOM 0 HA SER A 21 7.957 -8.291 9.434 1.00 62.41 H new ATOM 0 HB2 SER A 21 5.764 -8.861 8.364 1.00 40.41 H new ATOM 0 HB3 SER A 21 5.077 -9.130 9.953 1.00 40.41 H new ATOM 0 HG SER A 21 4.662 -6.988 9.170 1.00 34.21 H new ATOM 332 N ARG A 22 7.355 -7.349 11.804 1.00 73.51 N ATOM 333 CA ARG A 22 7.427 -6.948 13.203 1.00 53.00 C ATOM 334 C ARG A 22 6.171 -7.385 13.937 1.00 4.42 C ATOM 335 O ARG A 22 6.212 -7.745 15.114 1.00 51.33 O ATOM 336 CB ARG A 22 7.596 -5.435 13.326 1.00 14.22 C ATOM 337 CG ARG A 22 8.782 -4.874 12.561 1.00 55.11 C ATOM 338 CD ARG A 22 8.950 -3.385 12.821 1.00 12.42 C ATOM 339 NE ARG A 22 7.725 -2.630 12.527 1.00 62.10 N ATOM 340 CZ ARG A 22 7.603 -1.307 12.672 1.00 61.44 C ATOM 341 NH1 ARG A 22 8.637 -0.576 13.084 1.00 73.34 N ATOM 342 NH2 ARG A 22 6.445 -0.715 12.400 1.00 31.23 N ATOM 0 H ARG A 22 7.349 -6.571 11.144 1.00 73.51 H new ATOM 0 HA ARG A 22 8.294 -7.432 13.652 1.00 53.00 H new ATOM 0 HB2 ARG A 22 6.687 -4.950 12.971 1.00 14.22 H new ATOM 0 HB3 ARG A 22 7.704 -5.178 14.380 1.00 14.22 H new ATOM 0 HG2 ARG A 22 9.690 -5.402 12.854 1.00 55.11 H new ATOM 0 HG3 ARG A 22 8.644 -5.046 11.494 1.00 55.11 H new ATOM 0 HD2 ARG A 22 9.230 -3.229 13.863 1.00 12.42 H new ATOM 0 HD3 ARG A 22 9.767 -3.001 12.210 1.00 12.42 H new ATOM 0 HE ARG A 22 6.914 -3.149 12.190 1.00 62.10 H new ATOM 0 HH11 ARG A 22 9.529 -1.025 13.291 1.00 73.34 H new ATOM 0 HH12 ARG A 22 8.537 0.433 13.193 1.00 73.34 H new ATOM 0 HH21 ARG A 22 5.651 -1.270 12.081 1.00 31.23 H new ATOM 0 HH22 ARG A 22 6.350 0.295 12.510 1.00 31.23 H new ATOM 356 N ARG A 23 5.056 -7.359 13.236 1.00 55.42 N ATOM 357 CA ARG A 23 3.796 -7.768 13.806 1.00 70.33 C ATOM 358 C ARG A 23 3.095 -8.765 12.890 1.00 12.42 C ATOM 359 O ARG A 23 2.342 -8.377 11.999 1.00 64.34 O ATOM 360 CB ARG A 23 2.895 -6.559 14.051 1.00 31.45 C ATOM 361 CG ARG A 23 1.593 -6.894 14.764 1.00 72.12 C ATOM 362 CD ARG A 23 0.703 -5.673 14.879 1.00 3.51 C ATOM 363 NE ARG A 23 1.355 -4.583 15.600 1.00 42.20 N ATOM 364 CZ ARG A 23 1.009 -3.299 15.495 1.00 4.10 C ATOM 365 NH1 ARG A 23 0.004 -2.938 14.702 1.00 25.01 N ATOM 366 NH2 ARG A 23 1.668 -2.379 16.183 1.00 74.52 N ATOM 0 H ARG A 23 5.001 -7.056 12.264 1.00 55.42 H new ATOM 0 HA ARG A 23 3.997 -8.250 14.763 1.00 70.33 H new ATOM 0 HB2 ARG A 23 3.442 -5.824 14.641 1.00 31.45 H new ATOM 0 HB3 ARG A 23 2.664 -6.091 13.094 1.00 31.45 H new ATOM 0 HG2 ARG A 23 1.069 -7.680 14.220 1.00 72.12 H new ATOM 0 HG3 ARG A 23 1.810 -7.285 15.758 1.00 72.12 H new ATOM 0 HD2 ARG A 23 0.425 -5.332 13.882 1.00 3.51 H new ATOM 0 HD3 ARG A 23 -0.220 -5.945 15.391 1.00 3.51 H new ATOM 0 HE ARG A 23 2.126 -4.819 16.225 1.00 42.20 H new ATOM 0 HH11 ARG A 23 -0.506 -3.644 14.171 1.00 25.01 H new ATOM 0 HH12 ARG A 23 -0.257 -1.955 14.625 1.00 25.01 H new ATOM 0 HH21 ARG A 23 2.439 -2.653 16.792 1.00 74.52 H new ATOM 0 HH22 ARG A 23 1.405 -1.397 16.104 1.00 74.52 H new ATOM 380 N PRO A 24 3.365 -10.060 13.074 1.00 21.33 N ATOM 381 CA PRO A 24 2.735 -11.111 12.293 1.00 24.44 C ATOM 382 C PRO A 24 1.312 -11.377 12.774 1.00 43.03 C ATOM 383 O PRO A 24 1.045 -12.382 13.435 1.00 53.31 O ATOM 384 CB PRO A 24 3.627 -12.346 12.538 1.00 41.10 C ATOM 385 CG PRO A 24 4.781 -11.856 13.363 1.00 2.34 C ATOM 386 CD PRO A 24 4.313 -10.606 14.041 1.00 23.55 C ATOM 0 HA PRO A 24 2.653 -10.849 11.238 1.00 24.44 H new ATOM 0 HB2 PRO A 24 3.077 -13.129 13.060 1.00 41.10 H new ATOM 0 HB3 PRO A 24 3.972 -12.773 11.596 1.00 41.10 H new ATOM 0 HG2 PRO A 24 5.082 -12.606 14.095 1.00 2.34 H new ATOM 0 HG3 PRO A 24 5.650 -11.656 12.736 1.00 2.34 H new ATOM 0 HD2 PRO A 24 3.839 -10.817 15.000 1.00 23.55 H new ATOM 0 HD3 PRO A 24 5.135 -9.918 14.237 1.00 23.55 H new ATOM 394 N SER A 25 0.416 -10.449 12.475 1.00 11.11 N ATOM 395 CA SER A 25 -0.990 -10.564 12.839 1.00 41.14 C ATOM 396 C SER A 25 -1.836 -9.691 11.924 1.00 60.23 C ATOM 397 O SER A 25 -1.410 -8.602 11.531 1.00 43.55 O ATOM 398 CB SER A 25 -1.205 -10.147 14.304 1.00 1.12 C ATOM 399 OG SER A 25 -0.503 -11.005 15.193 1.00 50.25 O ATOM 0 H SER A 25 0.643 -9.592 11.971 1.00 11.11 H new ATOM 0 HA SER A 25 -1.293 -11.605 12.725 1.00 41.14 H new ATOM 0 HB2 SER A 25 -0.869 -9.120 14.445 1.00 1.12 H new ATOM 0 HB3 SER A 25 -2.269 -10.169 14.538 1.00 1.12 H new ATOM 0 HG SER A 25 -0.002 -11.671 14.677 1.00 50.25 H new ATOM 405 N SER A 26 -3.020 -10.164 11.577 1.00 35.04 N ATOM 406 CA SER A 26 -3.905 -9.408 10.718 1.00 4.53 C ATOM 407 C SER A 26 -5.352 -9.627 11.119 1.00 25.11 C ATOM 408 O SER A 26 -5.647 -10.460 11.974 1.00 52.23 O ATOM 409 CB SER A 26 -3.704 -9.815 9.256 1.00 41.32 C ATOM 410 OG SER A 26 -4.107 -11.164 9.034 1.00 72.50 O ATOM 0 H SER A 26 -3.388 -11.067 11.878 1.00 35.04 H new ATOM 0 HA SER A 26 -3.666 -8.350 10.828 1.00 4.53 H new ATOM 0 HB2 SER A 26 -4.277 -9.151 8.609 1.00 41.32 H new ATOM 0 HB3 SER A 26 -2.655 -9.697 8.984 1.00 41.32 H new ATOM 0 HG SER A 26 -3.971 -11.685 9.853 1.00 72.50 H new ATOM 415 N TRP A 27 -6.250 -8.871 10.506 1.00 75.00 N ATOM 416 CA TRP A 27 -7.677 -9.017 10.753 1.00 1.12 C ATOM 417 C TRP A 27 -8.252 -10.053 9.800 1.00 24.15 C ATOM 418 O TRP A 27 -9.429 -10.423 9.884 1.00 72.32 O ATOM 419 CB TRP A 27 -8.397 -7.668 10.558 1.00 42.32 C ATOM 420 CG TRP A 27 -8.312 -7.123 9.150 1.00 41.41 C ATOM 421 CD1 TRP A 27 -7.298 -6.383 8.613 1.00 71.25 C ATOM 422 CD2 TRP A 27 -9.288 -7.274 8.105 1.00 73.33 C ATOM 423 NE1 TRP A 27 -7.581 -6.072 7.308 1.00 40.11 N ATOM 424 CE2 TRP A 27 -8.793 -6.603 6.972 1.00 35.22 C ATOM 425 CE3 TRP A 27 -10.529 -7.909 8.016 1.00 14.41 C ATOM 426 CZ2 TRP A 27 -9.494 -6.551 5.769 1.00 50.42 C ATOM 427 CZ3 TRP A 27 -11.222 -7.858 6.822 1.00 42.31 C ATOM 428 CH2 TRP A 27 -10.701 -7.183 5.713 1.00 64.45 C ATOM 0 H TRP A 27 -6.014 -8.145 9.829 1.00 75.00 H new ATOM 0 HA TRP A 27 -7.828 -9.345 11.782 1.00 1.12 H new ATOM 0 HB2 TRP A 27 -9.446 -7.786 10.828 1.00 42.32 H new ATOM 0 HB3 TRP A 27 -7.971 -6.938 11.246 1.00 42.32 H new ATOM 0 HD1 TRP A 27 -6.403 -6.086 9.140 1.00 71.25 H new ATOM 0 HE1 TRP A 27 -6.981 -5.530 6.687 1.00 40.11 H new ATOM 0 HE3 TRP A 27 -10.940 -8.432 8.867 1.00 14.41 H new ATOM 0 HZ2 TRP A 27 -9.096 -6.029 4.912 1.00 50.42 H new ATOM 0 HZ3 TRP A 27 -12.182 -8.347 6.743 1.00 42.31 H new ATOM 0 HH2 TRP A 27 -11.267 -7.162 4.793 1.00 64.45 H new ATOM 439 N ARG A 28 -7.404 -10.517 8.898 1.00 34.22 N ATOM 440 CA ARG A 28 -7.796 -11.453 7.868 1.00 64.55 C ATOM 441 C ARG A 28 -7.427 -12.873 8.252 1.00 55.40 C ATOM 442 O ARG A 28 -8.250 -13.785 8.163 1.00 70.14 O ATOM 443 CB ARG A 28 -7.097 -11.090 6.561 1.00 1.50 C ATOM 444 CG ARG A 28 -7.402 -9.689 6.063 1.00 35.43 C ATOM 445 CD ARG A 28 -6.429 -9.272 4.976 1.00 14.50 C ATOM 446 NE ARG A 28 -6.409 -10.224 3.870 1.00 75.24 N ATOM 447 CZ ARG A 28 -5.303 -10.764 3.356 1.00 3.22 C ATOM 448 NH1 ARG A 28 -4.107 -10.452 3.846 1.00 65.11 N ATOM 449 NH2 ARG A 28 -5.397 -11.625 2.354 1.00 31.11 N ATOM 0 H ARG A 28 -6.420 -10.251 8.863 1.00 34.22 H new ATOM 0 HA ARG A 28 -8.878 -11.396 7.747 1.00 64.55 H new ATOM 0 HB2 ARG A 28 -6.020 -11.189 6.698 1.00 1.50 H new ATOM 0 HB3 ARG A 28 -7.388 -11.808 5.794 1.00 1.50 H new ATOM 0 HG2 ARG A 28 -8.421 -9.650 5.678 1.00 35.43 H new ATOM 0 HG3 ARG A 28 -7.348 -8.985 6.893 1.00 35.43 H new ATOM 0 HD2 ARG A 28 -6.704 -8.286 4.601 1.00 14.50 H new ATOM 0 HD3 ARG A 28 -5.428 -9.185 5.398 1.00 14.50 H new ATOM 0 HE ARG A 28 -7.303 -10.495 3.462 1.00 75.24 H new ATOM 0 HH11 ARG A 28 -4.029 -9.794 4.622 1.00 65.11 H new ATOM 0 HH12 ARG A 28 -3.267 -10.870 3.446 1.00 65.11 H new ATOM 0 HH21 ARG A 28 -6.312 -11.873 1.979 1.00 31.11 H new ATOM 0 HH22 ARG A 28 -4.554 -12.040 1.958 1.00 31.11 H new ATOM 463 N GLN A 29 -6.197 -13.056 8.686 1.00 0.43 N ATOM 464 CA GLN A 29 -5.687 -14.371 9.002 1.00 61.13 C ATOM 465 C GLN A 29 -5.385 -14.485 10.497 1.00 73.35 C ATOM 466 O GLN A 29 -5.012 -13.501 11.138 1.00 14.14 O ATOM 467 CB GLN A 29 -4.435 -14.625 8.164 1.00 53.45 C ATOM 468 CG GLN A 29 -3.921 -16.047 8.198 1.00 54.25 C ATOM 469 CD GLN A 29 -2.819 -16.275 7.183 1.00 42.11 C ATOM 470 OE1 GLN A 29 -2.055 -15.363 6.856 1.00 71.33 O ATOM 471 NE2 GLN A 29 -2.729 -17.485 6.680 1.00 14.44 N ATOM 0 H GLN A 29 -5.527 -12.300 8.829 1.00 0.43 H new ATOM 0 HA GLN A 29 -6.436 -15.126 8.765 1.00 61.13 H new ATOM 0 HB2 GLN A 29 -4.648 -14.356 7.129 1.00 53.45 H new ATOM 0 HB3 GLN A 29 -3.644 -13.960 8.510 1.00 53.45 H new ATOM 0 HG2 GLN A 29 -3.547 -16.274 9.196 1.00 54.25 H new ATOM 0 HG3 GLN A 29 -4.743 -16.735 8.001 1.00 54.25 H new ATOM 0 HE21 GLN A 29 -3.381 -18.211 6.978 1.00 14.44 H new ATOM 0 HE22 GLN A 29 -2.007 -17.699 5.992 1.00 14.44 H new ATOM 480 N GLU A 30 -5.570 -15.676 11.052 1.00 12.14 N ATOM 481 CA GLU A 30 -5.330 -15.899 12.470 1.00 0.54 C ATOM 482 C GLU A 30 -3.855 -16.167 12.718 1.00 30.14 C ATOM 483 O GLU A 30 -3.253 -15.596 13.622 1.00 74.55 O ATOM 484 CB GLU A 30 -6.171 -17.070 12.990 1.00 3.24 C ATOM 485 CG GLU A 30 -7.647 -16.978 12.632 1.00 31.12 C ATOM 486 CD GLU A 30 -8.244 -15.628 12.956 1.00 34.22 C ATOM 487 OE1 GLU A 30 -8.317 -15.275 14.151 1.00 3.32 O ATOM 488 OE2 GLU A 30 -8.627 -14.907 12.016 1.00 72.40 O ATOM 0 H GLU A 30 -5.885 -16.501 10.542 1.00 12.14 H new ATOM 0 HA GLU A 30 -5.624 -14.999 13.010 1.00 0.54 H new ATOM 0 HB2 GLU A 30 -5.768 -18.000 12.589 1.00 3.24 H new ATOM 0 HB3 GLU A 30 -6.073 -17.121 14.074 1.00 3.24 H new ATOM 0 HG2 GLU A 30 -7.772 -17.180 11.568 1.00 31.12 H new ATOM 0 HG3 GLU A 30 -8.196 -17.751 13.169 1.00 31.12 H new ATOM 495 N LYS A 31 -3.286 -17.040 11.915 1.00 35.40 N ATOM 496 CA LYS A 31 -1.873 -17.352 12.000 1.00 51.34 C ATOM 497 C LYS A 31 -1.210 -17.051 10.669 1.00 41.33 C ATOM 498 O LYS A 31 -1.538 -17.654 9.651 1.00 44.15 O ATOM 499 CB LYS A 31 -1.653 -18.818 12.409 1.00 4.41 C ATOM 500 CG LYS A 31 -2.406 -19.830 11.559 1.00 24.45 C ATOM 501 CD LYS A 31 -2.062 -21.252 11.960 1.00 3.25 C ATOM 502 CE LYS A 31 -2.848 -22.263 11.144 1.00 42.14 C ATOM 503 NZ LYS A 31 -4.311 -22.165 11.386 1.00 22.41 N ATOM 0 H LYS A 31 -3.786 -17.552 11.188 1.00 35.40 H new ATOM 0 HA LYS A 31 -1.418 -16.731 12.772 1.00 51.34 H new ATOM 0 HB2 LYS A 31 -0.587 -19.040 12.357 1.00 4.41 H new ATOM 0 HB3 LYS A 31 -1.954 -18.941 13.449 1.00 4.41 H new ATOM 0 HG2 LYS A 31 -3.479 -19.670 11.664 1.00 24.45 H new ATOM 0 HG3 LYS A 31 -2.163 -19.678 10.508 1.00 24.45 H new ATOM 0 HD2 LYS A 31 -0.994 -21.422 11.822 1.00 3.25 H new ATOM 0 HD3 LYS A 31 -2.273 -21.394 13.020 1.00 3.25 H new ATOM 0 HE2 LYS A 31 -2.646 -22.108 10.084 1.00 42.14 H new ATOM 0 HE3 LYS A 31 -2.508 -23.269 11.390 1.00 42.14 H new ATOM 0 HZ1 LYS A 31 -4.785 -23.001 10.989 1.00 22.41 H new ATOM 0 HZ2 LYS A 31 -4.491 -22.118 12.409 1.00 22.41 H new ATOM 0 HZ3 LYS A 31 -4.682 -21.307 10.930 1.00 22.41 H new ATOM 517 N ILE A 32 -0.290 -16.115 10.679 1.00 10.33 N ATOM 518 CA ILE A 32 0.351 -15.670 9.457 1.00 12.51 C ATOM 519 C ILE A 32 1.385 -16.684 8.967 1.00 4.15 C ATOM 520 O ILE A 32 2.533 -16.684 9.412 1.00 0.13 O ATOM 521 CB ILE A 32 1.019 -14.287 9.643 1.00 72.24 C ATOM 522 CG1 ILE A 32 0.034 -13.292 10.269 1.00 24.42 C ATOM 523 CG2 ILE A 32 1.524 -13.758 8.312 1.00 21.31 C ATOM 524 CD1 ILE A 32 -1.214 -13.047 9.443 1.00 32.13 C ATOM 0 H ILE A 32 0.035 -15.643 11.523 1.00 10.33 H new ATOM 0 HA ILE A 32 -0.431 -15.581 8.703 1.00 12.51 H new ATOM 0 HB ILE A 32 1.868 -14.405 10.317 1.00 72.24 H new ATOM 0 HG12 ILE A 32 -0.261 -13.660 11.252 1.00 24.42 H new ATOM 0 HG13 ILE A 32 0.545 -12.342 10.425 1.00 24.42 H new ATOM 0 HG21 ILE A 32 1.991 -12.784 8.461 1.00 21.31 H new ATOM 0 HG22 ILE A 32 2.256 -14.452 7.899 1.00 21.31 H new ATOM 0 HG23 ILE A 32 0.688 -13.657 7.620 1.00 21.31 H new ATOM 0 HD11 ILE A 32 -1.856 -12.332 9.957 1.00 32.13 H new ATOM 0 HD12 ILE A 32 -0.933 -12.647 8.469 1.00 32.13 H new ATOM 0 HD13 ILE A 32 -1.751 -13.986 9.309 1.00 32.13 H new ATOM 536 N THR A 33 0.958 -17.567 8.077 1.00 22.10 N ATOM 537 CA THR A 33 1.847 -18.567 7.506 1.00 73.32 C ATOM 538 C THR A 33 2.554 -17.999 6.270 1.00 51.44 C ATOM 539 O THR A 33 3.646 -18.438 5.898 1.00 64.30 O ATOM 540 CB THR A 33 1.058 -19.829 7.103 1.00 23.21 C ATOM 541 OG1 THR A 33 0.097 -20.147 8.123 1.00 20.45 O ATOM 542 CG2 THR A 33 1.995 -21.013 6.914 1.00 34.13 C ATOM 0 H THR A 33 -0.002 -17.611 7.734 1.00 22.10 H new ATOM 0 HA THR A 33 2.587 -18.835 8.261 1.00 73.32 H new ATOM 0 HB THR A 33 0.548 -19.628 6.161 1.00 23.21 H new ATOM 0 HG1 THR A 33 -0.403 -20.948 7.863 1.00 20.45 H new ATOM 0 HG21 THR A 33 1.417 -21.893 6.630 1.00 34.13 H new ATOM 0 HG22 THR A 33 2.717 -20.784 6.130 1.00 34.13 H new ATOM 0 HG23 THR A 33 2.523 -21.211 7.847 1.00 34.13 H new ATOM 550 N ARG A 34 1.909 -17.022 5.645 1.00 61.22 N ATOM 551 CA ARG A 34 2.438 -16.358 4.457 1.00 41.40 C ATOM 552 C ARG A 34 3.774 -15.678 4.735 1.00 55.01 C ATOM 553 O ARG A 34 3.874 -14.785 5.581 1.00 3.02 O ATOM 554 CB ARG A 34 1.423 -15.338 3.925 1.00 40.33 C ATOM 555 CG ARG A 34 0.700 -14.568 5.018 1.00 73.33 C ATOM 556 CD ARG A 34 -0.235 -13.523 4.449 1.00 1.24 C ATOM 557 NE ARG A 34 -1.237 -13.099 5.431 1.00 42.42 N ATOM 558 CZ ARG A 34 -1.658 -11.842 5.596 1.00 61.03 C ATOM 559 NH1 ARG A 34 -1.098 -10.852 4.909 1.00 1.33 N ATOM 560 NH2 ARG A 34 -2.628 -11.573 6.463 1.00 10.34 N ATOM 0 H ARG A 34 1.002 -16.666 5.947 1.00 61.22 H new ATOM 0 HA ARG A 34 2.610 -17.123 3.700 1.00 41.40 H new ATOM 0 HB2 ARG A 34 1.938 -14.631 3.275 1.00 40.33 H new ATOM 0 HB3 ARG A 34 0.687 -15.857 3.311 1.00 40.33 H new ATOM 0 HG2 ARG A 34 0.133 -15.263 5.638 1.00 73.33 H new ATOM 0 HG3 ARG A 34 1.431 -14.086 5.667 1.00 73.33 H new ATOM 0 HD2 ARG A 34 0.342 -12.658 4.121 1.00 1.24 H new ATOM 0 HD3 ARG A 34 -0.736 -13.924 3.568 1.00 1.24 H new ATOM 0 HE ARG A 34 -1.643 -13.816 6.032 1.00 42.42 H new ATOM 0 HH11 ARG A 34 -0.343 -11.050 4.252 1.00 1.33 H new ATOM 0 HH12 ARG A 34 -1.423 -9.894 5.038 1.00 1.33 H new ATOM 0 HH21 ARG A 34 -3.052 -12.327 7.004 1.00 10.34 H new ATOM 0 HH22 ARG A 34 -2.948 -10.613 6.588 1.00 10.34 H new ATOM 574 N THR A 35 4.796 -16.106 4.023 1.00 3.12 N ATOM 575 CA THR A 35 6.121 -15.542 4.172 1.00 44.31 C ATOM 576 C THR A 35 6.241 -14.224 3.387 1.00 34.22 C ATOM 577 O THR A 35 5.271 -13.764 2.770 1.00 1.43 O ATOM 578 CB THR A 35 7.221 -16.544 3.713 1.00 42.32 C ATOM 579 OG1 THR A 35 8.525 -15.994 3.946 1.00 53.04 O ATOM 580 CG2 THR A 35 7.074 -16.883 2.237 1.00 55.22 C ATOM 0 H THR A 35 4.732 -16.850 3.329 1.00 3.12 H new ATOM 0 HA THR A 35 6.274 -15.336 5.231 1.00 44.31 H new ATOM 0 HB THR A 35 7.100 -17.457 4.296 1.00 42.32 H new ATOM 0 HG1 THR A 35 9.207 -16.635 3.655 1.00 53.04 H new ATOM 0 HG21 THR A 35 7.856 -17.584 1.945 1.00 55.22 H new ATOM 0 HG22 THR A 35 6.097 -17.335 2.063 1.00 55.22 H new ATOM 0 HG23 THR A 35 7.163 -15.973 1.644 1.00 55.22 H new ATOM 588 N LYS A 36 7.423 -13.627 3.413 1.00 75.12 N ATOM 589 CA LYS A 36 7.662 -12.366 2.737 1.00 0.31 C ATOM 590 C LYS A 36 7.576 -12.546 1.223 1.00 11.04 C ATOM 591 O LYS A 36 7.092 -11.666 0.515 1.00 3.54 O ATOM 592 CB LYS A 36 9.026 -11.786 3.161 1.00 24.14 C ATOM 593 CG LYS A 36 9.350 -10.415 2.571 1.00 52.32 C ATOM 594 CD LYS A 36 10.201 -10.521 1.310 1.00 52.43 C ATOM 595 CE LYS A 36 11.616 -10.985 1.632 1.00 1.11 C ATOM 596 NZ LYS A 36 12.451 -11.105 0.412 1.00 11.45 N ATOM 0 H LYS A 36 8.237 -14.002 3.900 1.00 75.12 H new ATOM 0 HA LYS A 36 6.889 -11.655 3.029 1.00 0.31 H new ATOM 0 HB2 LYS A 36 9.052 -11.713 4.248 1.00 24.14 H new ATOM 0 HB3 LYS A 36 9.809 -12.486 2.869 1.00 24.14 H new ATOM 0 HG2 LYS A 36 8.422 -9.892 2.339 1.00 52.32 H new ATOM 0 HG3 LYS A 36 9.876 -9.816 3.314 1.00 52.32 H new ATOM 0 HD2 LYS A 36 9.737 -11.220 0.614 1.00 52.43 H new ATOM 0 HD3 LYS A 36 10.239 -9.552 0.812 1.00 52.43 H new ATOM 0 HE2 LYS A 36 12.081 -10.281 2.322 1.00 1.11 H new ATOM 0 HE3 LYS A 36 11.575 -11.949 2.140 1.00 1.11 H new ATOM 0 HZ1 LYS A 36 13.453 -10.985 0.664 1.00 11.45 H new ATOM 0 HZ2 LYS A 36 12.311 -12.044 -0.013 1.00 11.45 H new ATOM 0 HZ3 LYS A 36 12.175 -10.371 -0.271 1.00 11.45 H new ATOM 610 N GLU A 37 8.023 -13.701 0.741 1.00 30.13 N ATOM 611 CA GLU A 37 7.977 -14.003 -0.686 1.00 33.13 C ATOM 612 C GLU A 37 6.539 -14.070 -1.183 1.00 62.31 C ATOM 613 O GLU A 37 6.216 -13.538 -2.236 1.00 12.45 O ATOM 614 CB GLU A 37 8.690 -15.319 -0.985 1.00 44.54 C ATOM 615 CG GLU A 37 10.174 -15.298 -0.681 1.00 2.34 C ATOM 616 CD GLU A 37 10.894 -14.176 -1.394 1.00 14.10 C ATOM 617 OE1 GLU A 37 10.927 -14.175 -2.639 1.00 45.55 O ATOM 618 OE2 GLU A 37 11.436 -13.286 -0.709 1.00 54.44 O ATOM 0 H GLU A 37 8.421 -14.443 1.317 1.00 30.13 H new ATOM 0 HA GLU A 37 8.490 -13.197 -1.211 1.00 33.13 H new ATOM 0 HB2 GLU A 37 8.222 -16.114 -0.405 1.00 44.54 H new ATOM 0 HB3 GLU A 37 8.548 -15.566 -2.037 1.00 44.54 H new ATOM 0 HG2 GLU A 37 10.320 -15.194 0.394 1.00 2.34 H new ATOM 0 HG3 GLU A 37 10.615 -16.251 -0.972 1.00 2.34 H new ATOM 625 N GLU A 38 5.677 -14.715 -0.404 1.00 70.31 N ATOM 626 CA GLU A 38 4.271 -14.846 -0.762 1.00 21.12 C ATOM 627 C GLU A 38 3.607 -13.482 -0.833 1.00 23.52 C ATOM 628 O GLU A 38 2.827 -13.213 -1.742 1.00 12.41 O ATOM 629 CB GLU A 38 3.542 -15.738 0.238 1.00 61.33 C ATOM 630 CG GLU A 38 4.005 -17.182 0.207 1.00 74.22 C ATOM 631 CD GLU A 38 3.383 -18.012 1.301 1.00 63.44 C ATOM 632 OE1 GLU A 38 2.300 -18.590 1.077 1.00 3.42 O ATOM 633 OE2 GLU A 38 3.977 -18.100 2.391 1.00 24.43 O ATOM 0 H GLU A 38 5.929 -15.156 0.481 1.00 70.31 H new ATOM 0 HA GLU A 38 4.213 -15.311 -1.746 1.00 21.12 H new ATOM 0 HB2 GLU A 38 3.687 -15.339 1.242 1.00 61.33 H new ATOM 0 HB3 GLU A 38 2.472 -15.703 0.032 1.00 61.33 H new ATOM 0 HG2 GLU A 38 3.758 -17.619 -0.761 1.00 74.22 H new ATOM 0 HG3 GLU A 38 5.090 -17.214 0.303 1.00 74.22 H new ATOM 640 N ALA A 39 3.937 -12.621 0.121 1.00 35.45 N ATOM 641 CA ALA A 39 3.403 -11.271 0.140 1.00 61.13 C ATOM 642 C ALA A 39 3.862 -10.506 -1.095 1.00 5.45 C ATOM 643 O ALA A 39 3.091 -9.770 -1.707 1.00 62.41 O ATOM 644 CB ALA A 39 3.835 -10.549 1.406 1.00 63.22 C ATOM 0 H ALA A 39 4.572 -12.836 0.890 1.00 35.45 H new ATOM 0 HA ALA A 39 2.314 -11.325 0.130 1.00 61.13 H new ATOM 0 HB1 ALA A 39 3.427 -9.538 1.406 1.00 63.22 H new ATOM 0 HB2 ALA A 39 3.465 -11.089 2.277 1.00 63.22 H new ATOM 0 HB3 ALA A 39 4.923 -10.501 1.444 1.00 63.22 H new ATOM 650 N LEU A 40 5.123 -10.710 -1.464 1.00 13.13 N ATOM 651 CA LEU A 40 5.700 -10.069 -2.637 1.00 11.12 C ATOM 652 C LEU A 40 5.009 -10.581 -3.907 1.00 53.14 C ATOM 653 O LEU A 40 4.685 -9.799 -4.810 1.00 50.04 O ATOM 654 CB LEU A 40 7.228 -10.327 -2.673 1.00 52.42 C ATOM 655 CG LEU A 40 8.057 -9.549 -3.720 1.00 15.01 C ATOM 656 CD1 LEU A 40 7.963 -10.194 -5.092 1.00 63.45 C ATOM 657 CD2 LEU A 40 7.623 -8.090 -3.781 1.00 15.13 C ATOM 0 H LEU A 40 5.768 -11.320 -0.962 1.00 13.13 H new ATOM 0 HA LEU A 40 5.541 -8.992 -2.585 1.00 11.12 H new ATOM 0 HB2 LEU A 40 7.631 -10.098 -1.687 1.00 52.42 H new ATOM 0 HB3 LEU A 40 7.386 -11.392 -2.843 1.00 52.42 H new ATOM 0 HG LEU A 40 9.100 -9.584 -3.406 1.00 15.01 H new ATOM 0 HD11 LEU A 40 8.557 -9.622 -5.804 1.00 63.45 H new ATOM 0 HD12 LEU A 40 8.341 -11.215 -5.041 1.00 63.45 H new ATOM 0 HD13 LEU A 40 6.923 -10.209 -5.417 1.00 63.45 H new ATOM 0 HD21 LEU A 40 8.221 -7.563 -4.525 1.00 15.13 H new ATOM 0 HD22 LEU A 40 6.570 -8.035 -4.057 1.00 15.13 H new ATOM 0 HD23 LEU A 40 7.767 -7.626 -2.805 1.00 15.13 H new ATOM 669 N GLU A 41 4.770 -11.896 -3.962 1.00 42.31 N ATOM 670 CA GLU A 41 4.071 -12.506 -5.091 1.00 44.15 C ATOM 671 C GLU A 41 2.682 -11.911 -5.244 1.00 42.42 C ATOM 672 O GLU A 41 2.233 -11.632 -6.361 1.00 43.24 O ATOM 673 CB GLU A 41 3.955 -14.022 -4.919 1.00 2.30 C ATOM 674 CG GLU A 41 5.261 -14.776 -5.075 1.00 35.43 C ATOM 675 CD GLU A 41 5.054 -16.274 -5.065 1.00 75.23 C ATOM 676 OE1 GLU A 41 4.419 -16.796 -6.013 1.00 31.02 O ATOM 677 OE2 GLU A 41 5.522 -16.944 -4.123 1.00 53.41 O ATOM 0 H GLU A 41 5.052 -12.555 -3.236 1.00 42.31 H new ATOM 0 HA GLU A 41 4.656 -12.299 -5.987 1.00 44.15 H new ATOM 0 HB2 GLU A 41 3.545 -14.232 -3.931 1.00 2.30 H new ATOM 0 HB3 GLU A 41 3.241 -14.404 -5.648 1.00 2.30 H new ATOM 0 HG2 GLU A 41 5.740 -14.482 -6.009 1.00 35.43 H new ATOM 0 HG3 GLU A 41 5.939 -14.498 -4.268 1.00 35.43 H new ATOM 684 N LEU A 42 2.003 -11.720 -4.117 1.00 12.43 N ATOM 685 CA LEU A 42 0.674 -11.134 -4.114 1.00 41.13 C ATOM 686 C LEU A 42 0.717 -9.721 -4.667 1.00 33.22 C ATOM 687 O LEU A 42 -0.101 -9.354 -5.504 1.00 72.13 O ATOM 688 CB LEU A 42 0.082 -11.126 -2.699 1.00 33.22 C ATOM 689 CG LEU A 42 -0.141 -12.497 -2.057 1.00 62.23 C ATOM 690 CD1 LEU A 42 -0.712 -12.345 -0.656 1.00 60.44 C ATOM 691 CD2 LEU A 42 -1.062 -13.352 -2.918 1.00 75.30 C ATOM 0 H LEU A 42 2.356 -11.965 -3.192 1.00 12.43 H new ATOM 0 HA LEU A 42 0.035 -11.745 -4.752 1.00 41.13 H new ATOM 0 HB2 LEU A 42 0.743 -10.548 -2.053 1.00 33.22 H new ATOM 0 HB3 LEU A 42 -0.873 -10.601 -2.729 1.00 33.22 H new ATOM 0 HG LEU A 42 0.824 -12.999 -1.984 1.00 62.23 H new ATOM 0 HD11 LEU A 42 -0.864 -13.331 -0.216 1.00 60.44 H new ATOM 0 HD12 LEU A 42 -0.017 -11.775 -0.039 1.00 60.44 H new ATOM 0 HD13 LEU A 42 -1.666 -11.820 -0.707 1.00 60.44 H new ATOM 0 HD21 LEU A 42 -1.207 -14.322 -2.443 1.00 75.30 H new ATOM 0 HD22 LEU A 42 -2.025 -12.853 -3.026 1.00 75.30 H new ATOM 0 HD23 LEU A 42 -0.614 -13.493 -3.901 1.00 75.30 H new ATOM 703 N ILE A 43 1.691 -8.940 -4.206 1.00 44.33 N ATOM 704 CA ILE A 43 1.860 -7.565 -4.665 1.00 5.35 C ATOM 705 C ILE A 43 2.004 -7.514 -6.182 1.00 74.04 C ATOM 706 O ILE A 43 1.264 -6.794 -6.857 1.00 73.41 O ATOM 707 CB ILE A 43 3.086 -6.886 -3.999 1.00 5.20 C ATOM 708 CG1 ILE A 43 2.881 -6.772 -2.485 1.00 21.41 C ATOM 709 CG2 ILE A 43 3.348 -5.513 -4.607 1.00 51.45 C ATOM 710 CD1 ILE A 43 1.697 -5.913 -2.086 1.00 32.31 C ATOM 0 H ILE A 43 2.377 -9.238 -3.513 1.00 44.33 H new ATOM 0 HA ILE A 43 0.965 -7.016 -4.372 1.00 5.35 H new ATOM 0 HB ILE A 43 3.960 -7.511 -4.185 1.00 5.20 H new ATOM 0 HG12 ILE A 43 2.748 -7.771 -2.070 1.00 21.41 H new ATOM 0 HG13 ILE A 43 3.784 -6.359 -2.036 1.00 21.41 H new ATOM 0 HG21 ILE A 43 4.212 -5.059 -4.122 1.00 51.45 H new ATOM 0 HG22 ILE A 43 3.545 -5.619 -5.674 1.00 51.45 H new ATOM 0 HG23 ILE A 43 2.475 -4.877 -4.460 1.00 51.45 H new ATOM 0 HD11 ILE A 43 1.620 -5.882 -0.999 1.00 32.31 H new ATOM 0 HD12 ILE A 43 1.836 -4.902 -2.469 1.00 32.31 H new ATOM 0 HD13 ILE A 43 0.783 -6.336 -2.503 1.00 32.31 H new ATOM 722 N ASN A 44 2.942 -8.292 -6.715 1.00 2.23 N ATOM 723 CA ASN A 44 3.152 -8.348 -8.161 1.00 14.33 C ATOM 724 C ASN A 44 1.890 -8.808 -8.866 1.00 23.11 C ATOM 725 O ASN A 44 1.494 -8.236 -9.881 1.00 31.33 O ATOM 726 CB ASN A 44 4.316 -9.279 -8.523 1.00 14.12 C ATOM 727 CG ASN A 44 5.676 -8.681 -8.222 1.00 12.22 C ATOM 728 OD1 ASN A 44 5.856 -7.464 -8.255 1.00 3.21 O ATOM 729 ND2 ASN A 44 6.644 -9.533 -7.944 1.00 74.45 N ATOM 0 H ASN A 44 3.566 -8.889 -6.173 1.00 2.23 H new ATOM 0 HA ASN A 44 3.402 -7.341 -8.494 1.00 14.33 H new ATOM 0 HB2 ASN A 44 4.208 -10.215 -7.974 1.00 14.12 H new ATOM 0 HB3 ASN A 44 4.261 -9.523 -9.584 1.00 14.12 H new ATOM 0 HD21 ASN A 44 7.584 -9.190 -7.746 1.00 74.45 H new ATOM 0 HD22 ASN A 44 6.452 -10.535 -7.927 1.00 74.45 H new ATOM 736 N GLY A 45 1.252 -9.832 -8.308 1.00 45.21 N ATOM 737 CA GLY A 45 0.032 -10.357 -8.884 1.00 2.42 C ATOM 738 C GLY A 45 -1.049 -9.304 -8.984 1.00 62.43 C ATOM 739 O GLY A 45 -1.642 -9.116 -10.048 1.00 65.13 O ATOM 0 H GLY A 45 1.563 -10.309 -7.461 1.00 45.21 H new ATOM 0 HA2 GLY A 45 0.242 -10.755 -9.877 1.00 2.42 H new ATOM 0 HA3 GLY A 45 -0.327 -11.188 -8.277 1.00 2.42 H new ATOM 743 N TYR A 46 -1.290 -8.603 -7.881 1.00 75.14 N ATOM 744 CA TYR A 46 -2.301 -7.555 -7.846 1.00 5.22 C ATOM 745 C TYR A 46 -1.970 -6.454 -8.837 1.00 41.13 C ATOM 746 O TYR A 46 -2.797 -6.100 -9.666 1.00 34.54 O ATOM 747 CB TYR A 46 -2.450 -6.966 -6.435 1.00 2.33 C ATOM 748 CG TYR A 46 -2.911 -7.962 -5.390 1.00 64.31 C ATOM 749 CD1 TYR A 46 -3.827 -8.957 -5.707 1.00 64.34 C ATOM 750 CD2 TYR A 46 -2.424 -7.910 -4.089 1.00 61.25 C ATOM 751 CE1 TYR A 46 -4.244 -9.868 -4.761 1.00 35.50 C ATOM 752 CE2 TYR A 46 -2.838 -8.820 -3.136 1.00 51.45 C ATOM 753 CZ TYR A 46 -3.748 -9.798 -3.479 1.00 71.40 C ATOM 754 OH TYR A 46 -4.164 -10.708 -2.531 1.00 41.43 O ATOM 0 H TYR A 46 -0.798 -8.743 -6.999 1.00 75.14 H new ATOM 0 HA TYR A 46 -3.251 -8.009 -8.128 1.00 5.22 H new ATOM 0 HB2 TYR A 46 -1.492 -6.549 -6.125 1.00 2.33 H new ATOM 0 HB3 TYR A 46 -3.160 -6.140 -6.472 1.00 2.33 H new ATOM 0 HD1 TYR A 46 -4.219 -9.018 -6.712 1.00 64.34 H new ATOM 0 HD2 TYR A 46 -1.710 -7.146 -3.819 1.00 61.25 H new ATOM 0 HE1 TYR A 46 -4.958 -10.634 -5.025 1.00 35.50 H new ATOM 0 HE2 TYR A 46 -2.452 -8.766 -2.129 1.00 51.45 H new ATOM 0 HH TYR A 46 -5.000 -10.398 -2.124 1.00 41.43 H new ATOM 764 N ILE A 47 -0.745 -5.935 -8.764 1.00 55.10 N ATOM 765 CA ILE A 47 -0.307 -4.866 -9.660 1.00 44.20 C ATOM 766 C ILE A 47 -0.498 -5.263 -11.128 1.00 31.32 C ATOM 767 O ILE A 47 -0.986 -4.470 -11.940 1.00 71.14 O ATOM 768 CB ILE A 47 1.176 -4.476 -9.402 1.00 22.13 C ATOM 769 CG1 ILE A 47 1.331 -3.868 -8.003 1.00 12.34 C ATOM 770 CG2 ILE A 47 1.680 -3.504 -10.466 1.00 0.54 C ATOM 771 CD1 ILE A 47 2.755 -3.488 -7.651 1.00 44.22 C ATOM 0 H ILE A 47 -0.038 -6.238 -8.094 1.00 55.10 H new ATOM 0 HA ILE A 47 -0.930 -3.996 -9.449 1.00 44.20 H new ATOM 0 HB ILE A 47 1.781 -5.381 -9.459 1.00 22.13 H new ATOM 0 HG12 ILE A 47 0.701 -2.981 -7.931 1.00 12.34 H new ATOM 0 HG13 ILE A 47 0.963 -4.581 -7.265 1.00 12.34 H new ATOM 0 HG21 ILE A 47 2.720 -3.248 -10.262 1.00 0.54 H new ATOM 0 HG22 ILE A 47 1.608 -3.970 -11.448 1.00 0.54 H new ATOM 0 HG23 ILE A 47 1.073 -2.599 -10.449 1.00 0.54 H new ATOM 0 HD11 ILE A 47 2.781 -3.065 -6.647 1.00 44.22 H new ATOM 0 HD12 ILE A 47 3.388 -4.375 -7.688 1.00 44.22 H new ATOM 0 HD13 ILE A 47 3.122 -2.750 -8.365 1.00 44.22 H new ATOM 783 N GLN A 48 -0.141 -6.496 -11.456 1.00 34.11 N ATOM 784 CA GLN A 48 -0.297 -6.995 -12.816 1.00 13.01 C ATOM 785 C GLN A 48 -1.771 -7.046 -13.219 1.00 23.44 C ATOM 786 O GLN A 48 -2.140 -6.600 -14.308 1.00 55.14 O ATOM 787 CB GLN A 48 0.345 -8.379 -12.975 1.00 3.05 C ATOM 788 CG GLN A 48 1.865 -8.377 -12.883 1.00 4.20 C ATOM 789 CD GLN A 48 2.511 -7.416 -13.864 1.00 33.11 C ATOM 790 OE1 GLN A 48 2.749 -6.255 -13.543 1.00 34.40 O ATOM 791 NE2 GLN A 48 2.793 -7.890 -15.061 1.00 3.11 N ATOM 0 H GLN A 48 0.258 -7.169 -10.801 1.00 34.11 H new ATOM 0 HA GLN A 48 0.217 -6.300 -13.480 1.00 13.01 H new ATOM 0 HB2 GLN A 48 -0.053 -9.042 -12.207 1.00 3.05 H new ATOM 0 HB3 GLN A 48 0.051 -8.795 -13.939 1.00 3.05 H new ATOM 0 HG2 GLN A 48 2.163 -8.109 -11.869 1.00 4.20 H new ATOM 0 HG3 GLN A 48 2.237 -9.384 -13.069 1.00 4.20 H new ATOM 0 HE21 GLN A 48 2.579 -8.861 -15.288 1.00 3.11 H new ATOM 0 HE22 GLN A 48 3.225 -7.286 -15.760 1.00 3.11 H new ATOM 800 N LYS A 49 -2.615 -7.563 -12.335 1.00 64.23 N ATOM 801 CA LYS A 49 -4.041 -7.688 -12.621 1.00 20.20 C ATOM 802 C LYS A 49 -4.730 -6.325 -12.684 1.00 22.33 C ATOM 803 O LYS A 49 -5.637 -6.117 -13.500 1.00 1.34 O ATOM 804 CB LYS A 49 -4.723 -8.600 -11.598 1.00 2.45 C ATOM 805 CG LYS A 49 -4.265 -10.046 -11.684 1.00 41.41 C ATOM 806 CD LYS A 49 -4.984 -10.932 -10.683 1.00 35.32 C ATOM 807 CE LYS A 49 -4.547 -12.383 -10.827 1.00 42.41 C ATOM 808 NZ LYS A 49 -5.264 -13.280 -9.889 1.00 3.12 N ATOM 0 H LYS A 49 -2.338 -7.903 -11.414 1.00 64.23 H new ATOM 0 HA LYS A 49 -4.137 -8.145 -13.606 1.00 20.20 H new ATOM 0 HB2 LYS A 49 -4.524 -8.222 -10.595 1.00 2.45 H new ATOM 0 HB3 LYS A 49 -5.802 -8.558 -11.746 1.00 2.45 H new ATOM 0 HG2 LYS A 49 -4.440 -10.422 -12.692 1.00 41.41 H new ATOM 0 HG3 LYS A 49 -3.191 -10.097 -11.507 1.00 41.41 H new ATOM 0 HD2 LYS A 49 -4.778 -10.585 -9.671 1.00 35.32 H new ATOM 0 HD3 LYS A 49 -6.061 -10.856 -10.833 1.00 35.32 H new ATOM 0 HE2 LYS A 49 -4.724 -12.714 -11.850 1.00 42.41 H new ATOM 0 HE3 LYS A 49 -3.474 -12.457 -10.649 1.00 42.41 H new ATOM 0 HZ1 LYS A 49 -4.934 -14.257 -10.023 1.00 3.12 H new ATOM 0 HZ2 LYS A 49 -5.075 -12.982 -8.911 1.00 3.12 H new ATOM 0 HZ3 LYS A 49 -6.286 -13.231 -10.075 1.00 3.12 H new ATOM 822 N ILE A 50 -4.299 -5.399 -11.834 1.00 64.20 N ATOM 823 CA ILE A 50 -4.859 -4.051 -11.818 1.00 44.33 C ATOM 824 C ILE A 50 -4.629 -3.353 -13.159 1.00 24.10 C ATOM 825 O ILE A 50 -5.563 -2.823 -13.760 1.00 61.52 O ATOM 826 CB ILE A 50 -4.256 -3.190 -10.670 1.00 24.54 C ATOM 827 CG1 ILE A 50 -4.665 -3.757 -9.305 1.00 62.11 C ATOM 828 CG2 ILE A 50 -4.694 -1.733 -10.795 1.00 2.14 C ATOM 829 CD1 ILE A 50 -4.028 -3.045 -8.129 1.00 24.13 C ATOM 0 H ILE A 50 -3.563 -5.557 -11.146 1.00 64.20 H new ATOM 0 HA ILE A 50 -5.930 -4.151 -11.643 1.00 44.33 H new ATOM 0 HB ILE A 50 -3.170 -3.226 -10.752 1.00 24.54 H new ATOM 0 HG12 ILE A 50 -5.749 -3.699 -9.208 1.00 62.11 H new ATOM 0 HG13 ILE A 50 -4.398 -4.813 -9.266 1.00 62.11 H new ATOM 0 HG21 ILE A 50 -4.260 -1.152 -9.982 1.00 2.14 H new ATOM 0 HG22 ILE A 50 -4.354 -1.332 -11.750 1.00 2.14 H new ATOM 0 HG23 ILE A 50 -5.781 -1.674 -10.743 1.00 2.14 H new ATOM 0 HD11 ILE A 50 -4.366 -3.503 -7.200 1.00 24.13 H new ATOM 0 HD12 ILE A 50 -2.943 -3.125 -8.199 1.00 24.13 H new ATOM 0 HD13 ILE A 50 -4.316 -1.994 -8.141 1.00 24.13 H new ATOM 841 N LYS A 51 -3.388 -3.387 -13.633 1.00 53.43 N ATOM 842 CA LYS A 51 -3.031 -2.752 -14.901 1.00 51.45 C ATOM 843 C LYS A 51 -3.737 -3.418 -16.077 1.00 55.12 C ATOM 844 O LYS A 51 -4.113 -2.756 -17.043 1.00 42.01 O ATOM 845 CB LYS A 51 -1.522 -2.799 -15.117 1.00 20.52 C ATOM 846 CG LYS A 51 -0.719 -2.043 -14.071 1.00 72.22 C ATOM 847 CD LYS A 51 0.774 -2.146 -14.338 1.00 44.43 C ATOM 848 CE LYS A 51 1.255 -3.585 -14.266 1.00 41.02 C ATOM 849 NZ LYS A 51 2.699 -3.708 -14.569 1.00 34.01 N ATOM 0 H LYS A 51 -2.611 -3.847 -13.159 1.00 53.43 H new ATOM 0 HA LYS A 51 -3.356 -1.713 -14.848 1.00 51.45 H new ATOM 0 HB2 LYS A 51 -1.199 -3.840 -15.124 1.00 20.52 H new ATOM 0 HB3 LYS A 51 -1.294 -2.388 -16.101 1.00 20.52 H new ATOM 0 HG2 LYS A 51 -1.018 -0.995 -14.068 1.00 72.22 H new ATOM 0 HG3 LYS A 51 -0.942 -2.441 -13.081 1.00 72.22 H new ATOM 0 HD2 LYS A 51 0.998 -1.735 -15.323 1.00 44.43 H new ATOM 0 HD3 LYS A 51 1.317 -1.543 -13.610 1.00 44.43 H new ATOM 0 HE2 LYS A 51 1.059 -3.982 -13.270 1.00 41.02 H new ATOM 0 HE3 LYS A 51 0.685 -4.192 -14.969 1.00 41.02 H new ATOM 0 HZ1 LYS A 51 3.054 -4.616 -14.206 1.00 34.01 H new ATOM 0 HZ2 LYS A 51 2.842 -3.667 -15.598 1.00 34.01 H new ATOM 0 HZ3 LYS A 51 3.216 -2.928 -14.116 1.00 34.01 H new ATOM 863 N SER A 52 -3.920 -4.727 -15.987 1.00 61.11 N ATOM 864 CA SER A 52 -4.571 -5.481 -17.048 1.00 53.44 C ATOM 865 C SER A 52 -6.036 -5.076 -17.205 1.00 72.00 C ATOM 866 O SER A 52 -6.581 -5.099 -18.310 1.00 42.14 O ATOM 867 CB SER A 52 -4.462 -6.980 -16.774 1.00 50.01 C ATOM 868 OG SER A 52 -3.106 -7.372 -16.658 1.00 63.24 O ATOM 0 H SER A 52 -3.626 -5.290 -15.189 1.00 61.11 H new ATOM 0 HA SER A 52 -4.060 -5.251 -17.983 1.00 53.44 H new ATOM 0 HB2 SER A 52 -4.996 -7.226 -15.857 1.00 50.01 H new ATOM 0 HB3 SER A 52 -4.939 -7.537 -17.580 1.00 50.01 H new ATOM 0 HG SER A 52 -2.750 -7.069 -15.797 1.00 63.24 H new ATOM 874 N GLY A 53 -6.657 -4.683 -16.107 1.00 3.54 N ATOM 875 CA GLY A 53 -8.052 -4.303 -16.147 1.00 63.15 C ATOM 876 C GLY A 53 -8.942 -5.369 -15.551 1.00 24.13 C ATOM 877 O GLY A 53 -10.120 -5.479 -15.903 1.00 31.45 O ATOM 0 H GLY A 53 -6.220 -4.620 -15.187 1.00 3.54 H new ATOM 0 HA2 GLY A 53 -8.190 -3.369 -15.603 1.00 63.15 H new ATOM 0 HA3 GLY A 53 -8.349 -4.117 -17.179 1.00 63.15 H new ATOM 881 N GLU A 54 -8.375 -6.164 -14.658 1.00 14.32 N ATOM 882 CA GLU A 54 -9.115 -7.225 -13.995 1.00 40.05 C ATOM 883 C GLU A 54 -9.765 -6.698 -12.726 1.00 14.40 C ATOM 884 O GLU A 54 -10.972 -6.450 -12.684 1.00 5.41 O ATOM 885 CB GLU A 54 -8.183 -8.388 -13.652 1.00 12.34 C ATOM 886 CG GLU A 54 -7.571 -9.078 -14.858 1.00 22.25 C ATOM 887 CD GLU A 54 -8.613 -9.718 -15.740 1.00 40.45 C ATOM 888 OE1 GLU A 54 -9.346 -10.601 -15.251 1.00 31.51 O ATOM 889 OE2 GLU A 54 -8.702 -9.347 -16.933 1.00 11.14 O ATOM 0 H GLU A 54 -7.398 -6.093 -14.374 1.00 14.32 H new ATOM 0 HA GLU A 54 -9.891 -7.580 -14.673 1.00 40.05 H new ATOM 0 HB2 GLU A 54 -7.380 -8.018 -13.014 1.00 12.34 H new ATOM 0 HB3 GLU A 54 -8.739 -9.124 -13.071 1.00 12.34 H new ATOM 0 HG2 GLU A 54 -7.002 -8.352 -15.439 1.00 22.25 H new ATOM 0 HG3 GLU A 54 -6.867 -9.839 -14.520 1.00 22.25 H new ATOM 896 N GLU A 55 -8.954 -6.511 -11.705 1.00 24.31 N ATOM 897 CA GLU A 55 -9.413 -6.006 -10.429 1.00 53.05 C ATOM 898 C GLU A 55 -8.894 -4.598 -10.225 1.00 43.55 C ATOM 899 O GLU A 55 -7.800 -4.265 -10.684 1.00 4.40 O ATOM 900 CB GLU A 55 -8.915 -6.910 -9.300 1.00 70.31 C ATOM 901 CG GLU A 55 -9.498 -8.313 -9.321 1.00 62.13 C ATOM 902 CD GLU A 55 -10.953 -8.347 -8.907 1.00 53.12 C ATOM 903 OE1 GLU A 55 -11.827 -8.071 -9.750 1.00 50.24 O ATOM 904 OE2 GLU A 55 -11.233 -8.665 -7.727 1.00 53.21 O ATOM 0 H GLU A 55 -7.953 -6.706 -11.738 1.00 24.31 H new ATOM 0 HA GLU A 55 -10.503 -5.995 -10.419 1.00 53.05 H new ATOM 0 HB2 GLU A 55 -7.829 -6.979 -9.358 1.00 70.31 H new ATOM 0 HB3 GLU A 55 -9.154 -6.444 -8.344 1.00 70.31 H new ATOM 0 HG2 GLU A 55 -9.400 -8.728 -10.324 1.00 62.13 H new ATOM 0 HG3 GLU A 55 -8.920 -8.952 -8.654 1.00 62.13 H new ATOM 911 N ASP A 56 -9.670 -3.770 -9.566 1.00 72.23 N ATOM 912 CA ASP A 56 -9.258 -2.400 -9.303 1.00 13.43 C ATOM 913 C ASP A 56 -8.486 -2.341 -7.997 1.00 22.24 C ATOM 914 O ASP A 56 -8.603 -3.237 -7.169 1.00 3.12 O ATOM 915 CB ASP A 56 -10.479 -1.472 -9.241 1.00 71.30 C ATOM 916 CG ASP A 56 -10.094 -0.017 -9.072 1.00 70.03 C ATOM 917 OD1 ASP A 56 -9.825 0.653 -10.090 1.00 74.35 O ATOM 918 OD2 ASP A 56 -10.050 0.463 -7.918 1.00 74.00 O ATOM 0 H ASP A 56 -10.590 -4.015 -9.200 1.00 72.23 H new ATOM 0 HA ASP A 56 -8.614 -2.063 -10.116 1.00 13.43 H new ATOM 0 HB2 ASP A 56 -11.064 -1.586 -10.153 1.00 71.30 H new ATOM 0 HB3 ASP A 56 -11.119 -1.774 -8.412 1.00 71.30 H new ATOM 923 N PHE A 57 -7.697 -1.292 -7.815 1.00 11.32 N ATOM 924 CA PHE A 57 -6.908 -1.122 -6.600 1.00 62.14 C ATOM 925 C PHE A 57 -7.791 -1.216 -5.350 1.00 22.54 C ATOM 926 O PHE A 57 -7.424 -1.872 -4.366 1.00 61.52 O ATOM 927 CB PHE A 57 -6.175 0.224 -6.630 1.00 14.11 C ATOM 928 CG PHE A 57 -5.235 0.432 -5.476 1.00 71.51 C ATOM 929 CD1 PHE A 57 -3.950 -0.081 -5.515 1.00 0.35 C ATOM 930 CD2 PHE A 57 -5.635 1.138 -4.353 1.00 33.14 C ATOM 931 CE1 PHE A 57 -3.084 0.104 -4.459 1.00 4.21 C ATOM 932 CE2 PHE A 57 -4.771 1.324 -3.293 1.00 24.52 C ATOM 933 CZ PHE A 57 -3.495 0.808 -3.346 1.00 61.01 C ATOM 0 H PHE A 57 -7.585 -0.541 -8.496 1.00 11.32 H new ATOM 0 HA PHE A 57 -6.174 -1.927 -6.557 1.00 62.14 H new ATOM 0 HB2 PHE A 57 -5.614 0.300 -7.561 1.00 14.11 H new ATOM 0 HB3 PHE A 57 -6.912 1.028 -6.635 1.00 14.11 H new ATOM 0 HD1 PHE A 57 -3.622 -0.633 -6.383 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -6.633 1.547 -4.307 1.00 33.14 H new ATOM 0 HE1 PHE A 57 -2.084 -0.302 -4.503 1.00 4.21 H new ATOM 0 HE2 PHE A 57 -5.095 1.874 -2.422 1.00 24.52 H new ATOM 0 HZ PHE A 57 -2.817 0.954 -2.518 1.00 61.01 H new ATOM 943 N GLU A 58 -8.970 -0.595 -5.409 1.00 24.24 N ATOM 944 CA GLU A 58 -9.890 -0.589 -4.273 1.00 34.30 C ATOM 945 C GLU A 58 -10.524 -1.966 -4.055 1.00 62.33 C ATOM 946 O GLU A 58 -11.137 -2.218 -3.018 1.00 74.51 O ATOM 947 CB GLU A 58 -10.981 0.468 -4.454 1.00 55.12 C ATOM 948 CG GLU A 58 -10.458 1.889 -4.590 1.00 73.40 C ATOM 949 CD GLU A 58 -11.564 2.919 -4.525 1.00 31.22 C ATOM 950 OE1 GLU A 58 -12.349 3.032 -5.495 1.00 64.20 O ATOM 951 OE2 GLU A 58 -11.664 3.625 -3.505 1.00 70.35 O ATOM 0 H GLU A 58 -9.309 -0.092 -6.229 1.00 24.24 H new ATOM 0 HA GLU A 58 -9.305 -0.340 -3.388 1.00 34.30 H new ATOM 0 HB2 GLU A 58 -11.566 0.222 -5.340 1.00 55.12 H new ATOM 0 HB3 GLU A 58 -11.659 0.423 -3.602 1.00 55.12 H new ATOM 0 HG2 GLU A 58 -9.736 2.085 -3.797 1.00 73.40 H new ATOM 0 HG3 GLU A 58 -9.927 1.989 -5.537 1.00 73.40 H new ATOM 958 N SER A 59 -10.375 -2.850 -5.027 1.00 12.44 N ATOM 959 CA SER A 59 -10.928 -4.185 -4.920 1.00 42.45 C ATOM 960 C SER A 59 -10.021 -5.068 -4.063 1.00 21.34 C ATOM 961 O SER A 59 -10.485 -5.987 -3.384 1.00 1.14 O ATOM 962 CB SER A 59 -11.101 -4.795 -6.312 1.00 24.01 C ATOM 963 OG SER A 59 -11.829 -3.919 -7.160 1.00 45.13 O ATOM 0 H SER A 59 -9.876 -2.666 -5.897 1.00 12.44 H new ATOM 0 HA SER A 59 -11.905 -4.123 -4.440 1.00 42.45 H new ATOM 0 HB2 SER A 59 -10.123 -5.001 -6.748 1.00 24.01 H new ATOM 0 HB3 SER A 59 -11.622 -5.749 -6.234 1.00 24.01 H new ATOM 0 HG SER A 59 -12.201 -4.426 -7.912 1.00 45.13 H new ATOM 969 N LEU A 60 -8.728 -4.774 -4.085 1.00 72.01 N ATOM 970 CA LEU A 60 -7.767 -5.551 -3.318 1.00 34.30 C ATOM 971 C LEU A 60 -7.483 -4.908 -1.969 1.00 45.33 C ATOM 972 O LEU A 60 -7.488 -5.581 -0.943 1.00 64.34 O ATOM 973 CB LEU A 60 -6.445 -5.746 -4.087 1.00 41.33 C ATOM 974 CG LEU A 60 -6.503 -6.582 -5.379 1.00 60.41 C ATOM 975 CD1 LEU A 60 -7.350 -7.831 -5.196 1.00 72.31 C ATOM 976 CD2 LEU A 60 -6.996 -5.755 -6.548 1.00 21.01 C ATOM 0 H LEU A 60 -8.323 -4.008 -4.623 1.00 72.01 H new ATOM 0 HA LEU A 60 -8.219 -6.529 -3.154 1.00 34.30 H new ATOM 0 HB2 LEU A 60 -6.051 -4.761 -4.338 1.00 41.33 H new ATOM 0 HB3 LEU A 60 -5.727 -6.214 -3.413 1.00 41.33 H new ATOM 0 HG LEU A 60 -5.486 -6.904 -5.605 1.00 60.41 H new ATOM 0 HD11 LEU A 60 -7.369 -8.397 -6.127 1.00 72.31 H new ATOM 0 HD12 LEU A 60 -6.923 -8.448 -4.405 1.00 72.31 H new ATOM 0 HD13 LEU A 60 -8.366 -7.545 -4.924 1.00 72.31 H new ATOM 0 HD21 LEU A 60 -7.025 -6.374 -7.445 1.00 21.01 H new ATOM 0 HD22 LEU A 60 -7.997 -5.381 -6.332 1.00 21.01 H new ATOM 0 HD23 LEU A 60 -6.321 -4.914 -6.709 1.00 21.01 H new ATOM 988 N ALA A 61 -7.261 -3.598 -1.974 1.00 72.43 N ATOM 989 CA ALA A 61 -6.896 -2.860 -0.760 1.00 64.42 C ATOM 990 C ALA A 61 -7.981 -2.922 0.319 1.00 35.25 C ATOM 991 O ALA A 61 -7.692 -2.793 1.503 1.00 64.22 O ATOM 992 CB ALA A 61 -6.577 -1.413 -1.102 1.00 51.23 C ATOM 0 H ALA A 61 -7.327 -3.017 -2.810 1.00 72.43 H new ATOM 0 HA ALA A 61 -6.010 -3.343 -0.348 1.00 64.42 H new ATOM 0 HB1 ALA A 61 -6.308 -0.875 -0.193 1.00 51.23 H new ATOM 0 HB2 ALA A 61 -5.744 -1.380 -1.804 1.00 51.23 H new ATOM 0 HB3 ALA A 61 -7.451 -0.945 -1.555 1.00 51.23 H new ATOM 998 N SER A 62 -9.212 -3.135 -0.091 1.00 11.32 N ATOM 999 CA SER A 62 -10.325 -3.165 0.847 1.00 64.54 C ATOM 1000 C SER A 62 -10.569 -4.566 1.415 1.00 34.32 C ATOM 1001 O SER A 62 -11.437 -4.751 2.271 1.00 3.55 O ATOM 1002 CB SER A 62 -11.583 -2.667 0.160 1.00 32.24 C ATOM 1003 OG SER A 62 -11.352 -1.427 -0.473 1.00 11.22 O ATOM 0 H SER A 62 -9.473 -3.290 -1.065 1.00 11.32 H new ATOM 0 HA SER A 62 -10.067 -2.514 1.682 1.00 64.54 H new ATOM 0 HB2 SER A 62 -11.915 -3.400 -0.576 1.00 32.24 H new ATOM 0 HB3 SER A 62 -12.385 -2.563 0.891 1.00 32.24 H new ATOM 0 HG SER A 62 -11.486 -1.523 -1.439 1.00 11.22 H new ATOM 1009 N GLN A 63 -9.812 -5.549 0.949 1.00 15.25 N ATOM 1010 CA GLN A 63 -10.026 -6.925 1.394 1.00 70.43 C ATOM 1011 C GLN A 63 -8.724 -7.622 1.767 1.00 53.44 C ATOM 1012 O GLN A 63 -8.623 -8.240 2.818 1.00 42.43 O ATOM 1013 CB GLN A 63 -10.737 -7.738 0.305 1.00 34.11 C ATOM 1014 CG GLN A 63 -12.126 -7.230 -0.056 1.00 70.51 C ATOM 1015 CD GLN A 63 -12.810 -8.090 -1.103 1.00 73.24 C ATOM 1016 OE1 GLN A 63 -14.034 -8.215 -1.122 1.00 34.14 O ATOM 1017 NE2 GLN A 63 -12.027 -8.688 -1.986 1.00 72.25 N ATOM 0 H GLN A 63 -9.056 -5.427 0.275 1.00 15.25 H new ATOM 0 HA GLN A 63 -10.649 -6.871 2.286 1.00 70.43 H new ATOM 0 HB2 GLN A 63 -10.119 -7.738 -0.593 1.00 34.11 H new ATOM 0 HB3 GLN A 63 -10.817 -8.773 0.636 1.00 34.11 H new ATOM 0 HG2 GLN A 63 -12.742 -7.200 0.843 1.00 70.51 H new ATOM 0 HG3 GLN A 63 -12.050 -6.207 -0.425 1.00 70.51 H new ATOM 0 HE21 GLN A 63 -11.016 -8.561 -1.939 1.00 72.25 H new ATOM 0 HE22 GLN A 63 -12.434 -9.276 -2.713 1.00 72.25 H new ATOM 1026 N PHE A 64 -7.730 -7.504 0.910 1.00 30.44 N ATOM 1027 CA PHE A 64 -6.473 -8.214 1.088 1.00 3.32 C ATOM 1028 C PHE A 64 -5.395 -7.328 1.698 1.00 44.42 C ATOM 1029 O PHE A 64 -4.206 -7.590 1.534 1.00 71.11 O ATOM 1030 CB PHE A 64 -5.997 -8.776 -0.255 1.00 61.20 C ATOM 1031 CG PHE A 64 -6.969 -9.732 -0.891 1.00 22.43 C ATOM 1032 CD1 PHE A 64 -6.942 -11.080 -0.578 1.00 30.04 C ATOM 1033 CD2 PHE A 64 -7.914 -9.280 -1.800 1.00 33.53 C ATOM 1034 CE1 PHE A 64 -7.835 -11.960 -1.158 1.00 32.40 C ATOM 1035 CE2 PHE A 64 -8.808 -10.155 -2.382 1.00 50.14 C ATOM 1036 CZ PHE A 64 -8.769 -11.496 -2.061 1.00 23.12 C ATOM 0 H PHE A 64 -7.767 -6.919 0.076 1.00 30.44 H new ATOM 0 HA PHE A 64 -6.653 -9.033 1.785 1.00 3.32 H new ATOM 0 HB2 PHE A 64 -5.814 -7.948 -0.940 1.00 61.20 H new ATOM 0 HB3 PHE A 64 -5.044 -9.285 -0.108 1.00 61.20 H new ATOM 0 HD1 PHE A 64 -6.213 -11.449 0.129 1.00 30.04 H new ATOM 0 HD2 PHE A 64 -7.950 -8.231 -2.055 1.00 33.53 H new ATOM 0 HE1 PHE A 64 -7.802 -13.009 -0.905 1.00 32.40 H new ATOM 0 HE2 PHE A 64 -9.538 -9.790 -3.089 1.00 50.14 H new ATOM 0 HZ PHE A 64 -9.469 -12.182 -2.516 1.00 23.12 H new ATOM 1046 N SER A 65 -5.801 -6.293 2.404 1.00 31.22 N ATOM 1047 CA SER A 65 -4.845 -5.422 3.047 1.00 10.42 C ATOM 1048 C SER A 65 -4.943 -5.552 4.555 1.00 13.33 C ATOM 1049 O SER A 65 -6.020 -5.422 5.135 1.00 32.11 O ATOM 1050 CB SER A 65 -5.044 -3.968 2.625 1.00 25.12 C ATOM 1051 OG SER A 65 -3.993 -3.155 3.125 1.00 15.01 O ATOM 0 H SER A 65 -6.778 -6.037 2.545 1.00 31.22 H new ATOM 0 HA SER A 65 -3.848 -5.728 2.730 1.00 10.42 H new ATOM 0 HB2 SER A 65 -5.078 -3.900 1.538 1.00 25.12 H new ATOM 0 HB3 SER A 65 -6.002 -3.603 2.997 1.00 25.12 H new ATOM 0 HG SER A 65 -3.253 -3.724 3.424 1.00 15.01 H new ATOM 1057 N ASP A 66 -3.817 -5.800 5.187 1.00 42.13 N ATOM 1058 CA ASP A 66 -3.767 -5.977 6.625 1.00 64.25 C ATOM 1059 C ASP A 66 -3.527 -4.641 7.312 1.00 45.14 C ATOM 1060 O ASP A 66 -2.472 -4.415 7.907 1.00 72.14 O ATOM 1061 CB ASP A 66 -2.660 -6.965 7.010 1.00 50.44 C ATOM 1062 CG ASP A 66 -2.634 -8.194 6.127 1.00 1.42 C ATOM 1063 OD1 ASP A 66 -3.539 -9.044 6.239 1.00 73.13 O ATOM 1064 OD2 ASP A 66 -1.699 -8.322 5.317 1.00 50.40 O ATOM 0 H ASP A 66 -2.913 -5.885 4.723 1.00 42.13 H new ATOM 0 HA ASP A 66 -4.725 -6.380 6.953 1.00 64.25 H new ATOM 0 HB2 ASP A 66 -1.695 -6.462 6.952 1.00 50.44 H new ATOM 0 HB3 ASP A 66 -2.798 -7.272 8.047 1.00 50.44 H new ATOM 1069 N SER A 67 -4.492 -3.750 7.202 1.00 22.54 N ATOM 1070 CA SER A 67 -4.395 -2.440 7.806 1.00 71.35 C ATOM 1071 C SER A 67 -5.788 -1.867 8.046 1.00 1.42 C ATOM 1072 O SER A 67 -6.779 -2.408 7.548 1.00 64.22 O ATOM 1073 CB SER A 67 -3.574 -1.500 6.910 1.00 42.33 C ATOM 1074 OG SER A 67 -4.135 -1.405 5.608 1.00 33.13 O ATOM 0 H SER A 67 -5.361 -3.914 6.694 1.00 22.54 H new ATOM 0 HA SER A 67 -3.887 -2.533 8.766 1.00 71.35 H new ATOM 0 HB2 SER A 67 -3.531 -0.509 7.362 1.00 42.33 H new ATOM 0 HB3 SER A 67 -2.549 -1.864 6.841 1.00 42.33 H new ATOM 0 HG SER A 67 -3.867 -2.185 5.079 1.00 33.13 H new ATOM 1080 N SER A 68 -5.859 -0.775 8.792 1.00 32.45 N ATOM 1081 CA SER A 68 -7.130 -0.137 9.098 1.00 50.22 C ATOM 1082 C SER A 68 -7.722 0.513 7.844 1.00 24.31 C ATOM 1083 O SER A 68 -8.942 0.699 7.737 1.00 13.43 O ATOM 1084 CB SER A 68 -6.930 0.911 10.189 1.00 74.12 C ATOM 1085 OG SER A 68 -6.185 0.378 11.274 1.00 13.53 O ATOM 0 H SER A 68 -5.047 -0.310 9.198 1.00 32.45 H new ATOM 0 HA SER A 68 -7.828 -0.896 9.453 1.00 50.22 H new ATOM 0 HB2 SER A 68 -6.411 1.776 9.777 1.00 74.12 H new ATOM 0 HB3 SER A 68 -7.899 1.260 10.545 1.00 74.12 H new ATOM 0 HG SER A 68 -6.068 1.068 11.960 1.00 13.53 H new ATOM 1091 N SER A 69 -6.854 0.830 6.890 1.00 4.43 N ATOM 1092 CA SER A 69 -7.268 1.456 5.647 1.00 43.31 C ATOM 1093 C SER A 69 -8.113 0.513 4.793 1.00 11.20 C ATOM 1094 O SER A 69 -8.792 0.950 3.872 1.00 23.24 O ATOM 1095 CB SER A 69 -6.052 1.928 4.865 1.00 4.33 C ATOM 1096 OG SER A 69 -5.284 2.841 5.632 1.00 70.24 O ATOM 0 H SER A 69 -5.851 0.660 6.959 1.00 4.43 H new ATOM 0 HA SER A 69 -7.887 2.316 5.900 1.00 43.31 H new ATOM 0 HB2 SER A 69 -5.437 1.072 4.588 1.00 4.33 H new ATOM 0 HB3 SER A 69 -6.372 2.404 3.938 1.00 4.33 H new ATOM 0 HG SER A 69 -4.838 3.477 5.034 1.00 70.24 H new ATOM 1102 N ALA A 70 -8.083 -0.778 5.115 1.00 3.41 N ATOM 1103 CA ALA A 70 -8.867 -1.767 4.381 1.00 44.31 C ATOM 1104 C ALA A 70 -10.358 -1.476 4.514 1.00 71.22 C ATOM 1105 O ALA A 70 -11.143 -1.757 3.614 1.00 2.10 O ATOM 1106 CB ALA A 70 -8.555 -3.169 4.877 1.00 71.14 C ATOM 0 H ALA A 70 -7.525 -1.163 5.878 1.00 3.41 H new ATOM 0 HA ALA A 70 -8.596 -1.704 3.327 1.00 44.31 H new ATOM 0 HB1 ALA A 70 -9.148 -3.893 4.319 1.00 71.14 H new ATOM 0 HB2 ALA A 70 -7.495 -3.379 4.731 1.00 71.14 H new ATOM 0 HB3 ALA A 70 -8.797 -3.242 5.937 1.00 71.14 H new ATOM 1112 N LYS A 71 -10.736 -0.889 5.642 1.00 13.24 N ATOM 1113 CA LYS A 71 -12.126 -0.534 5.894 1.00 32.30 C ATOM 1114 C LYS A 71 -12.442 0.818 5.260 1.00 4.15 C ATOM 1115 O LYS A 71 -13.593 1.244 5.208 1.00 20.31 O ATOM 1116 CB LYS A 71 -12.395 -0.476 7.403 1.00 54.54 C ATOM 1117 CG LYS A 71 -12.023 -1.747 8.154 1.00 72.22 C ATOM 1118 CD LYS A 71 -12.811 -2.948 7.654 1.00 35.23 C ATOM 1119 CE LYS A 71 -12.452 -4.211 8.426 1.00 44.24 C ATOM 1120 NZ LYS A 71 -12.825 -4.115 9.862 1.00 35.34 N ATOM 0 H LYS A 71 -10.097 -0.648 6.399 1.00 13.24 H new ATOM 0 HA LYS A 71 -12.767 -1.296 5.451 1.00 32.30 H new ATOM 0 HB2 LYS A 71 -11.838 0.359 7.828 1.00 54.54 H new ATOM 0 HB3 LYS A 71 -13.453 -0.269 7.564 1.00 54.54 H new ATOM 0 HG2 LYS A 71 -10.956 -1.938 8.039 1.00 72.22 H new ATOM 0 HG3 LYS A 71 -12.209 -1.608 9.219 1.00 72.22 H new ATOM 0 HD2 LYS A 71 -13.878 -2.751 7.753 1.00 35.23 H new ATOM 0 HD3 LYS A 71 -12.612 -3.100 6.593 1.00 35.23 H new ATOM 0 HE2 LYS A 71 -12.958 -5.066 7.977 1.00 44.24 H new ATOM 0 HE3 LYS A 71 -11.381 -4.394 8.342 1.00 44.24 H new ATOM 0 HZ1 LYS A 71 -12.754 -5.054 10.303 1.00 35.34 H new ATOM 0 HZ2 LYS A 71 -12.181 -3.456 10.345 1.00 35.34 H new ATOM 0 HZ3 LYS A 71 -13.802 -3.767 9.944 1.00 35.34 H new ATOM 1134 N ALA A 72 -11.406 1.473 4.767 1.00 62.40 N ATOM 1135 CA ALA A 72 -11.532 2.784 4.162 1.00 52.13 C ATOM 1136 C ALA A 72 -11.297 2.712 2.659 1.00 65.54 C ATOM 1137 O ALA A 72 -10.954 3.712 2.032 1.00 21.34 O ATOM 1138 CB ALA A 72 -10.542 3.743 4.805 1.00 63.42 C ATOM 0 H ALA A 72 -10.453 1.109 4.776 1.00 62.40 H new ATOM 0 HA ALA A 72 -12.545 3.149 4.329 1.00 52.13 H new ATOM 0 HB1 ALA A 72 -10.640 4.728 4.348 1.00 63.42 H new ATOM 0 HB2 ALA A 72 -10.748 3.817 5.873 1.00 63.42 H new ATOM 0 HB3 ALA A 72 -9.528 3.373 4.656 1.00 63.42 H new ATOM 1144 N ARG A 73 -11.472 1.507 2.093 1.00 60.44 N ATOM 1145 CA ARG A 73 -11.310 1.272 0.640 1.00 63.33 C ATOM 1146 C ARG A 73 -9.851 1.388 0.209 1.00 15.24 C ATOM 1147 O ARG A 73 -9.548 1.449 -0.982 1.00 0.51 O ATOM 1148 CB ARG A 73 -12.164 2.252 -0.173 1.00 22.51 C ATOM 1149 CG ARG A 73 -13.653 2.127 0.069 1.00 15.31 C ATOM 1150 CD ARG A 73 -14.409 3.265 -0.589 1.00 42.23 C ATOM 1151 NE ARG A 73 -14.136 3.357 -2.026 1.00 33.41 N ATOM 1152 CZ ARG A 73 -15.001 3.826 -2.924 1.00 42.24 C ATOM 1153 NH1 ARG A 73 -16.201 4.237 -2.540 1.00 74.03 N ATOM 1154 NH2 ARG A 73 -14.663 3.886 -4.202 1.00 41.50 N ATOM 0 H ARG A 73 -11.728 0.672 2.620 1.00 60.44 H new ATOM 0 HA ARG A 73 -11.648 0.254 0.444 1.00 63.33 H new ATOM 0 HB2 ARG A 73 -11.853 3.270 0.063 1.00 22.51 H new ATOM 0 HB3 ARG A 73 -11.965 2.096 -1.233 1.00 22.51 H new ATOM 0 HG2 ARG A 73 -14.010 1.174 -0.323 1.00 15.31 H new ATOM 0 HG3 ARG A 73 -13.852 2.126 1.141 1.00 15.31 H new ATOM 0 HD2 ARG A 73 -15.479 3.126 -0.433 1.00 42.23 H new ATOM 0 HD3 ARG A 73 -14.137 4.205 -0.109 1.00 42.23 H new ATOM 0 HE ARG A 73 -13.225 3.042 -2.360 1.00 33.41 H new ATOM 0 HH11 ARG A 73 -16.464 4.195 -1.555 1.00 74.03 H new ATOM 0 HH12 ARG A 73 -16.862 4.596 -3.229 1.00 74.03 H new ATOM 0 HH21 ARG A 73 -13.739 3.573 -4.500 1.00 41.50 H new ATOM 0 HH22 ARG A 73 -15.326 4.245 -4.889 1.00 41.50 H new ATOM 1168 N GLY A 74 -8.953 1.406 1.175 1.00 12.33 N ATOM 1169 CA GLY A 74 -7.551 1.564 0.875 1.00 53.14 C ATOM 1170 C GLY A 74 -7.159 3.022 0.848 1.00 71.05 C ATOM 1171 O GLY A 74 -5.975 3.361 0.805 1.00 61.31 O ATOM 0 H GLY A 74 -9.171 1.313 2.167 1.00 12.33 H new ATOM 0 HA2 GLY A 74 -6.955 1.038 1.621 1.00 53.14 H new ATOM 0 HA3 GLY A 74 -7.329 1.107 -0.089 1.00 53.14 H new ATOM 1175 N ASP A 75 -8.159 3.886 0.883 1.00 2.33 N ATOM 1176 CA ASP A 75 -7.945 5.321 0.865 1.00 32.55 C ATOM 1177 C ASP A 75 -7.368 5.795 2.186 1.00 54.02 C ATOM 1178 O ASP A 75 -7.879 5.458 3.255 1.00 22.35 O ATOM 1179 CB ASP A 75 -9.261 6.047 0.559 1.00 24.44 C ATOM 1180 CG ASP A 75 -9.194 7.540 0.805 1.00 44.30 C ATOM 1181 OD1 ASP A 75 -8.348 8.219 0.190 1.00 53.31 O ATOM 1182 OD2 ASP A 75 -10.018 8.048 1.599 1.00 32.31 O ATOM 0 H ASP A 75 -9.141 3.612 0.925 1.00 2.33 H new ATOM 0 HA ASP A 75 -7.226 5.555 0.079 1.00 32.55 H new ATOM 0 HB2 ASP A 75 -9.532 5.869 -0.482 1.00 24.44 H new ATOM 0 HB3 ASP A 75 -10.054 5.620 1.173 1.00 24.44 H new ATOM 1187 N LEU A 76 -6.291 6.550 2.108 1.00 61.31 N ATOM 1188 CA LEU A 76 -5.636 7.074 3.292 1.00 3.34 C ATOM 1189 C LEU A 76 -6.253 8.416 3.651 1.00 42.42 C ATOM 1190 O LEU A 76 -6.426 8.749 4.830 1.00 74.44 O ATOM 1191 CB LEU A 76 -4.119 7.232 3.011 1.00 23.52 C ATOM 1192 CG LEU A 76 -3.168 7.335 4.226 1.00 30.02 C ATOM 1193 CD1 LEU A 76 -1.726 7.264 3.758 1.00 14.32 C ATOM 1194 CD2 LEU A 76 -3.387 8.620 5.009 1.00 11.02 C ATOM 0 H LEU A 76 -5.847 6.817 1.229 1.00 61.31 H new ATOM 0 HA LEU A 76 -5.769 6.388 4.129 1.00 3.34 H new ATOM 0 HB2 LEU A 76 -3.800 6.383 2.407 1.00 23.52 H new ATOM 0 HB3 LEU A 76 -3.982 8.126 2.402 1.00 23.52 H new ATOM 0 HG LEU A 76 -3.387 6.498 4.889 1.00 30.02 H new ATOM 0 HD11 LEU A 76 -1.060 7.337 4.618 1.00 14.32 H new ATOM 0 HD12 LEU A 76 -1.556 6.317 3.247 1.00 14.32 H new ATOM 0 HD13 LEU A 76 -1.525 8.087 3.073 1.00 14.32 H new ATOM 0 HD21 LEU A 76 -2.699 8.653 5.854 1.00 11.02 H new ATOM 0 HD22 LEU A 76 -3.206 9.477 4.360 1.00 11.02 H new ATOM 0 HD23 LEU A 76 -4.413 8.653 5.375 1.00 11.02 H new ATOM 1206 N GLY A 77 -6.617 9.160 2.630 1.00 61.34 N ATOM 1207 CA GLY A 77 -7.127 10.483 2.831 1.00 22.40 C ATOM 1208 C GLY A 77 -6.032 11.502 2.652 1.00 44.13 C ATOM 1209 O GLY A 77 -4.899 11.143 2.314 1.00 22.40 O ATOM 0 H GLY A 77 -6.566 8.864 1.655 1.00 61.34 H new ATOM 0 HA2 GLY A 77 -7.934 10.679 2.125 1.00 22.40 H new ATOM 0 HA3 GLY A 77 -7.551 10.568 3.832 1.00 22.40 H new ATOM 1213 N ALA A 78 -6.353 12.761 2.848 1.00 51.23 N ATOM 1214 CA ALA A 78 -5.364 13.813 2.733 1.00 42.30 C ATOM 1215 C ALA A 78 -4.453 13.810 3.950 1.00 22.31 C ATOM 1216 O ALA A 78 -4.892 14.097 5.066 1.00 14.41 O ATOM 1217 CB ALA A 78 -6.040 15.163 2.572 1.00 62.41 C ATOM 0 H ALA A 78 -7.291 13.083 3.088 1.00 51.23 H new ATOM 0 HA ALA A 78 -4.758 13.629 1.846 1.00 42.30 H new ATOM 0 HB1 ALA A 78 -5.282 15.942 2.487 1.00 62.41 H new ATOM 0 HB2 ALA A 78 -6.656 15.157 1.673 1.00 62.41 H new ATOM 0 HB3 ALA A 78 -6.668 15.361 3.441 1.00 62.41 H new ATOM 1223 N PHE A 79 -3.194 13.478 3.743 1.00 64.33 N ATOM 1224 CA PHE A 79 -2.243 13.407 4.839 1.00 3.34 C ATOM 1225 C PHE A 79 -1.141 14.440 4.681 1.00 62.53 C ATOM 1226 O PHE A 79 -0.803 14.839 3.561 1.00 13.02 O ATOM 1227 CB PHE A 79 -1.642 11.992 4.953 1.00 40.43 C ATOM 1228 CG PHE A 79 -0.882 11.531 3.729 1.00 43.20 C ATOM 1229 CD1 PHE A 79 -1.545 10.948 2.660 1.00 25.24 C ATOM 1230 CD2 PHE A 79 0.496 11.677 3.655 1.00 15.41 C ATOM 1231 CE1 PHE A 79 -0.852 10.521 1.544 1.00 71.22 C ATOM 1232 CE2 PHE A 79 1.193 11.253 2.541 1.00 12.31 C ATOM 1233 CZ PHE A 79 0.519 10.674 1.485 1.00 1.31 C ATOM 0 H PHE A 79 -2.804 13.253 2.828 1.00 64.33 H new ATOM 0 HA PHE A 79 -2.784 13.629 5.759 1.00 3.34 H new ATOM 0 HB2 PHE A 79 -0.972 11.964 5.812 1.00 40.43 H new ATOM 0 HB3 PHE A 79 -2.447 11.285 5.153 1.00 40.43 H new ATOM 0 HD1 PHE A 79 -2.617 10.826 2.700 1.00 25.24 H new ATOM 0 HD2 PHE A 79 1.030 12.128 4.479 1.00 15.41 H new ATOM 0 HE1 PHE A 79 -1.382 10.068 0.719 1.00 71.22 H new ATOM 0 HE2 PHE A 79 2.265 11.374 2.496 1.00 12.31 H new ATOM 0 HZ PHE A 79 1.063 10.341 0.614 1.00 1.31 H new ATOM 1243 N SER A 80 -0.591 14.875 5.806 1.00 13.42 N ATOM 1244 CA SER A 80 0.477 15.854 5.823 1.00 4.14 C ATOM 1245 C SER A 80 1.058 15.943 7.236 1.00 23.14 C ATOM 1246 O SER A 80 0.755 15.099 8.089 1.00 11.20 O ATOM 1247 CB SER A 80 -0.064 17.223 5.383 1.00 32.22 C ATOM 1248 OG SER A 80 0.991 18.109 5.031 1.00 62.54 O ATOM 0 H SER A 80 -0.876 14.556 6.732 1.00 13.42 H new ATOM 0 HA SER A 80 1.263 15.551 5.131 1.00 4.14 H new ATOM 0 HB2 SER A 80 -0.733 17.095 4.532 1.00 32.22 H new ATOM 0 HB3 SER A 80 -0.654 17.659 6.189 1.00 32.22 H new ATOM 0 HG SER A 80 1.065 18.158 4.055 1.00 62.54 H new ATOM 1254 N ARG A 81 1.906 16.952 7.470 1.00 3.22 N ATOM 1255 CA ARG A 81 2.511 17.211 8.794 1.00 34.05 C ATOM 1256 C ARG A 81 3.408 16.067 9.261 1.00 64.25 C ATOM 1257 O ARG A 81 3.720 15.959 10.445 1.00 3.45 O ATOM 1258 CB ARG A 81 1.429 17.487 9.847 1.00 35.25 C ATOM 1259 CG ARG A 81 0.595 18.730 9.577 1.00 54.12 C ATOM 1260 CD ARG A 81 1.457 19.982 9.500 1.00 35.41 C ATOM 1261 NE ARG A 81 2.239 20.194 10.722 1.00 20.15 N ATOM 1262 CZ ARG A 81 2.991 21.270 10.956 1.00 33.11 C ATOM 1263 NH1 ARG A 81 3.072 22.238 10.049 1.00 74.44 N ATOM 1264 NH2 ARG A 81 3.666 21.373 12.095 1.00 54.14 N ATOM 0 H ARG A 81 2.196 17.615 6.751 1.00 3.22 H new ATOM 0 HA ARG A 81 3.137 18.096 8.679 1.00 34.05 H new ATOM 0 HB2 ARG A 81 0.766 16.624 9.904 1.00 35.25 H new ATOM 0 HB3 ARG A 81 1.905 17.588 10.822 1.00 35.25 H new ATOM 0 HG2 ARG A 81 0.050 18.606 8.641 1.00 54.12 H new ATOM 0 HG3 ARG A 81 -0.148 18.848 10.366 1.00 54.12 H new ATOM 0 HD2 ARG A 81 2.132 19.904 8.648 1.00 35.41 H new ATOM 0 HD3 ARG A 81 0.820 20.849 9.324 1.00 35.41 H new ATOM 0 HE ARG A 81 2.206 19.471 11.440 1.00 20.15 H new ATOM 0 HH11 ARG A 81 2.558 22.159 9.171 1.00 74.44 H new ATOM 0 HH12 ARG A 81 3.648 23.060 10.230 1.00 74.44 H new ATOM 0 HH21 ARG A 81 3.609 20.629 12.791 1.00 54.14 H new ATOM 0 HH22 ARG A 81 4.241 22.196 12.274 1.00 54.14 H new ATOM 1278 N GLY A 82 3.829 15.231 8.329 1.00 63.15 N ATOM 1279 CA GLY A 82 4.693 14.120 8.664 1.00 22.34 C ATOM 1280 C GLY A 82 4.012 13.094 9.542 1.00 72.51 C ATOM 1281 O GLY A 82 4.650 12.481 10.395 1.00 23.33 O ATOM 0 H GLY A 82 3.587 15.302 7.341 1.00 63.15 H new ATOM 0 HA2 GLY A 82 5.032 13.639 7.746 1.00 22.34 H new ATOM 0 HA3 GLY A 82 5.580 14.496 9.173 1.00 22.34 H new ATOM 1285 N GLN A 83 2.716 12.911 9.342 1.00 11.33 N ATOM 1286 CA GLN A 83 1.960 11.940 10.120 1.00 60.41 C ATOM 1287 C GLN A 83 2.103 10.546 9.538 1.00 41.11 C ATOM 1288 O GLN A 83 1.768 9.552 10.186 1.00 1.14 O ATOM 1289 CB GLN A 83 0.489 12.338 10.209 1.00 55.43 C ATOM 1290 CG GLN A 83 0.228 13.459 11.199 1.00 53.22 C ATOM 1291 CD GLN A 83 0.607 13.065 12.614 1.00 51.05 C ATOM 1292 OE1 GLN A 83 1.743 13.265 13.047 1.00 10.33 O ATOM 1293 NE2 GLN A 83 -0.333 12.497 13.339 1.00 64.13 N ATOM 0 H GLN A 83 2.166 13.420 8.650 1.00 11.33 H new ATOM 0 HA GLN A 83 2.371 11.929 11.129 1.00 60.41 H new ATOM 0 HB2 GLN A 83 0.143 12.646 9.222 1.00 55.43 H new ATOM 0 HB3 GLN A 83 -0.099 11.466 10.495 1.00 55.43 H new ATOM 0 HG2 GLN A 83 0.794 14.342 10.904 1.00 53.22 H new ATOM 0 HG3 GLN A 83 -0.827 13.732 11.168 1.00 53.22 H new ATOM 0 HE21 GLN A 83 -1.262 12.349 12.944 1.00 64.13 H new ATOM 0 HE22 GLN A 83 -0.133 12.205 14.296 1.00 64.13 H new ATOM 1302 N MET A 84 2.603 10.477 8.324 1.00 73.54 N ATOM 1303 CA MET A 84 2.819 9.210 7.668 1.00 72.21 C ATOM 1304 C MET A 84 4.311 9.005 7.431 1.00 10.32 C ATOM 1305 O MET A 84 5.061 9.976 7.349 1.00 11.31 O ATOM 1306 CB MET A 84 2.029 9.146 6.353 1.00 63.23 C ATOM 1307 CG MET A 84 2.135 7.818 5.616 1.00 14.13 C ATOM 1308 SD MET A 84 1.809 6.383 6.675 1.00 24.42 S ATOM 1309 CE MET A 84 0.157 6.748 7.275 1.00 64.24 C ATOM 0 H MET A 84 2.869 11.291 7.769 1.00 73.54 H new ATOM 0 HA MET A 84 2.458 8.405 8.308 1.00 72.21 H new ATOM 0 HB2 MET A 84 0.979 9.347 6.565 1.00 63.23 H new ATOM 0 HB3 MET A 84 2.379 9.941 5.695 1.00 63.23 H new ATOM 0 HG2 MET A 84 1.431 7.815 4.784 1.00 14.13 H new ATOM 0 HG3 MET A 84 3.133 7.726 5.189 1.00 14.13 H new ATOM 0 HE1 MET A 84 0.210 7.063 8.317 1.00 64.24 H new ATOM 0 HE2 MET A 84 -0.279 7.547 6.676 1.00 64.24 H new ATOM 0 HE3 MET A 84 -0.464 5.856 7.197 1.00 64.24 H new ATOM 1319 N GLN A 85 4.729 7.746 7.341 1.00 23.51 N ATOM 1320 CA GLN A 85 6.140 7.393 7.161 1.00 41.21 C ATOM 1321 C GLN A 85 6.766 8.150 5.992 1.00 21.43 C ATOM 1322 O GLN A 85 6.179 8.241 4.911 1.00 11.25 O ATOM 1323 CB GLN A 85 6.288 5.885 6.950 1.00 54.31 C ATOM 1324 CG GLN A 85 5.641 5.043 8.042 1.00 34.22 C ATOM 1325 CD GLN A 85 6.110 5.427 9.433 1.00 64.31 C ATOM 1326 OE1 GLN A 85 5.507 6.279 10.091 1.00 24.13 O ATOM 1327 NE2 GLN A 85 7.178 4.809 9.887 1.00 63.22 N ATOM 0 H GLN A 85 4.104 6.941 7.390 1.00 23.51 H new ATOM 0 HA GLN A 85 6.670 7.682 8.068 1.00 41.21 H new ATOM 0 HB2 GLN A 85 5.848 5.617 5.989 1.00 54.31 H new ATOM 0 HB3 GLN A 85 7.348 5.638 6.894 1.00 54.31 H new ATOM 0 HG2 GLN A 85 4.558 5.152 7.985 1.00 34.22 H new ATOM 0 HG3 GLN A 85 5.865 3.991 7.865 1.00 34.22 H new ATOM 0 HE21 GLN A 85 7.647 4.111 9.310 1.00 63.22 H new ATOM 0 HE22 GLN A 85 7.538 5.028 10.816 1.00 63.22 H new ATOM 1336 N LYS A 86 7.960 8.686 6.219 1.00 34.44 N ATOM 1337 CA LYS A 86 8.673 9.469 5.208 1.00 14.31 C ATOM 1338 C LYS A 86 8.894 8.688 3.890 1.00 13.54 C ATOM 1339 O LYS A 86 8.624 9.226 2.818 1.00 24.12 O ATOM 1340 CB LYS A 86 10.004 10.000 5.755 1.00 23.33 C ATOM 1341 CG LYS A 86 10.694 10.993 4.829 1.00 12.34 C ATOM 1342 CD LYS A 86 9.878 12.269 4.672 1.00 33.13 C ATOM 1343 CE LYS A 86 10.482 13.194 3.630 1.00 54.24 C ATOM 1344 NZ LYS A 86 9.711 14.451 3.487 1.00 32.20 N ATOM 0 H LYS A 86 8.461 8.593 7.102 1.00 34.44 H new ATOM 0 HA LYS A 86 8.032 10.318 4.968 1.00 14.31 H new ATOM 0 HB2 LYS A 86 9.826 10.478 6.718 1.00 23.33 H new ATOM 0 HB3 LYS A 86 10.674 9.159 5.936 1.00 23.33 H new ATOM 0 HG2 LYS A 86 11.680 11.237 5.225 1.00 12.34 H new ATOM 0 HG3 LYS A 86 10.847 10.535 3.852 1.00 12.34 H new ATOM 0 HD2 LYS A 86 8.857 12.016 4.387 1.00 33.13 H new ATOM 0 HD3 LYS A 86 9.822 12.786 5.630 1.00 33.13 H new ATOM 0 HE2 LYS A 86 11.510 13.429 3.907 1.00 54.24 H new ATOM 0 HE3 LYS A 86 10.520 12.681 2.669 1.00 54.24 H new ATOM 0 HZ1 LYS A 86 9.495 14.613 2.483 1.00 32.20 H new ATOM 0 HZ2 LYS A 86 8.824 14.377 4.024 1.00 32.20 H new ATOM 0 HZ3 LYS A 86 10.272 15.246 3.853 1.00 32.20 H new ATOM 1358 N PRO A 87 9.387 7.405 3.939 1.00 54.34 N ATOM 1359 CA PRO A 87 9.580 6.587 2.723 1.00 4.13 C ATOM 1360 C PRO A 87 8.295 6.477 1.896 1.00 73.40 C ATOM 1361 O PRO A 87 8.334 6.266 0.683 1.00 74.43 O ATOM 1362 CB PRO A 87 9.985 5.202 3.270 1.00 35.45 C ATOM 1363 CG PRO A 87 9.675 5.245 4.731 1.00 51.43 C ATOM 1364 CD PRO A 87 9.827 6.677 5.141 1.00 21.24 C ATOM 0 HA PRO A 87 10.322 7.023 2.054 1.00 4.13 H new ATOM 0 HB2 PRO A 87 9.429 4.406 2.774 1.00 35.45 H new ATOM 0 HB3 PRO A 87 11.044 5.006 3.099 1.00 35.45 H new ATOM 0 HG2 PRO A 87 8.664 4.888 4.926 1.00 51.43 H new ATOM 0 HG3 PRO A 87 10.354 4.604 5.293 1.00 51.43 H new ATOM 0 HD2 PRO A 87 9.212 6.918 6.008 1.00 21.24 H new ATOM 0 HD3 PRO A 87 10.857 6.916 5.405 1.00 21.24 H new ATOM 1372 N PHE A 88 7.169 6.632 2.565 1.00 24.33 N ATOM 1373 CA PHE A 88 5.874 6.598 1.922 1.00 22.51 C ATOM 1374 C PHE A 88 5.536 7.991 1.391 1.00 1.31 C ATOM 1375 O PHE A 88 5.055 8.145 0.267 1.00 55.32 O ATOM 1376 CB PHE A 88 4.810 6.134 2.934 1.00 50.24 C ATOM 1377 CG PHE A 88 3.410 6.044 2.384 1.00 23.22 C ATOM 1378 CD1 PHE A 88 2.605 7.171 2.309 1.00 3.24 C ATOM 1379 CD2 PHE A 88 2.901 4.833 1.954 1.00 74.31 C ATOM 1380 CE1 PHE A 88 1.322 7.090 1.815 1.00 21.24 C ATOM 1381 CE2 PHE A 88 1.616 4.747 1.458 1.00 22.30 C ATOM 1382 CZ PHE A 88 0.826 5.880 1.388 1.00 61.45 C ATOM 0 H PHE A 88 7.129 6.785 3.573 1.00 24.33 H new ATOM 0 HA PHE A 88 5.892 5.897 1.087 1.00 22.51 H new ATOM 0 HB2 PHE A 88 5.097 5.156 3.319 1.00 50.24 H new ATOM 0 HB3 PHE A 88 4.809 6.822 3.780 1.00 50.24 H new ATOM 0 HD1 PHE A 88 2.989 8.124 2.642 1.00 3.24 H new ATOM 0 HD2 PHE A 88 3.515 3.946 2.007 1.00 74.31 H new ATOM 0 HE1 PHE A 88 0.706 7.976 1.763 1.00 21.24 H new ATOM 0 HE2 PHE A 88 1.228 3.796 1.125 1.00 22.30 H new ATOM 0 HZ PHE A 88 -0.179 5.815 0.999 1.00 61.45 H new ATOM 1392 N GLU A 89 5.807 8.995 2.215 1.00 31.12 N ATOM 1393 CA GLU A 89 5.539 10.390 1.881 1.00 34.32 C ATOM 1394 C GLU A 89 6.298 10.816 0.625 1.00 50.12 C ATOM 1395 O GLU A 89 5.701 11.347 -0.312 1.00 64.21 O ATOM 1396 CB GLU A 89 5.920 11.289 3.061 1.00 24.43 C ATOM 1397 CG GLU A 89 5.614 12.761 2.851 1.00 73.45 C ATOM 1398 CD GLU A 89 6.012 13.605 4.037 1.00 40.12 C ATOM 1399 OE1 GLU A 89 5.232 13.680 5.011 1.00 1.32 O ATOM 1400 OE2 GLU A 89 7.115 14.194 4.014 1.00 51.00 O ATOM 0 H GLU A 89 6.221 8.865 3.138 1.00 31.12 H new ATOM 0 HA GLU A 89 4.473 10.493 1.678 1.00 34.32 H new ATOM 0 HB2 GLU A 89 5.393 10.944 3.950 1.00 24.43 H new ATOM 0 HB3 GLU A 89 6.986 11.176 3.259 1.00 24.43 H new ATOM 0 HG2 GLU A 89 6.138 13.116 1.964 1.00 73.45 H new ATOM 0 HG3 GLU A 89 4.548 12.884 2.662 1.00 73.45 H new ATOM 1407 N ASP A 90 7.611 10.568 0.608 1.00 3.43 N ATOM 1408 CA ASP A 90 8.455 10.927 -0.541 1.00 44.20 C ATOM 1409 C ASP A 90 7.911 10.334 -1.822 1.00 20.15 C ATOM 1410 O ASP A 90 7.797 11.024 -2.836 1.00 63.40 O ATOM 1411 CB ASP A 90 9.902 10.462 -0.347 1.00 71.40 C ATOM 1412 CG ASP A 90 10.723 11.410 0.494 1.00 54.14 C ATOM 1413 OD1 ASP A 90 10.936 12.564 0.061 1.00 13.52 O ATOM 1414 OD2 ASP A 90 11.170 11.009 1.585 1.00 71.23 O ATOM 0 H ASP A 90 8.114 10.121 1.374 1.00 3.43 H new ATOM 0 HA ASP A 90 8.443 12.015 -0.612 1.00 44.20 H new ATOM 0 HB2 ASP A 90 9.901 9.478 0.122 1.00 71.40 H new ATOM 0 HB3 ASP A 90 10.375 10.349 -1.323 1.00 71.40 H new ATOM 1419 N ALA A 91 7.563 9.062 -1.764 1.00 33.14 N ATOM 1420 CA ALA A 91 7.040 8.362 -2.921 1.00 4.24 C ATOM 1421 C ALA A 91 5.701 8.942 -3.362 1.00 14.24 C ATOM 1422 O ALA A 91 5.468 9.130 -4.551 1.00 43.31 O ATOM 1423 CB ALA A 91 6.907 6.876 -2.622 1.00 74.35 C ATOM 0 H ALA A 91 7.634 8.490 -0.922 1.00 33.14 H new ATOM 0 HA ALA A 91 7.745 8.494 -3.742 1.00 4.24 H new ATOM 0 HB1 ALA A 91 6.513 6.362 -3.499 1.00 74.35 H new ATOM 0 HB2 ALA A 91 7.885 6.467 -2.370 1.00 74.35 H new ATOM 0 HB3 ALA A 91 6.227 6.733 -1.782 1.00 74.35 H new ATOM 1429 N SER A 92 4.838 9.243 -2.397 1.00 13.23 N ATOM 1430 CA SER A 92 3.510 9.782 -2.684 1.00 43.13 C ATOM 1431 C SER A 92 3.600 11.171 -3.316 1.00 63.21 C ATOM 1432 O SER A 92 2.926 11.459 -4.302 1.00 11.13 O ATOM 1433 CB SER A 92 2.679 9.847 -1.405 1.00 54.24 C ATOM 1434 OG SER A 92 2.605 8.577 -0.784 1.00 71.34 O ATOM 0 H SER A 92 5.035 9.122 -1.403 1.00 13.23 H new ATOM 0 HA SER A 92 3.025 9.114 -3.396 1.00 43.13 H new ATOM 0 HB2 SER A 92 3.120 10.568 -0.716 1.00 54.24 H new ATOM 0 HB3 SER A 92 1.675 10.202 -1.637 1.00 54.24 H new ATOM 0 HG SER A 92 3.426 8.414 -0.274 1.00 71.34 H new ATOM 1440 N PHE A 93 4.448 12.018 -2.748 1.00 13.50 N ATOM 1441 CA PHE A 93 4.625 13.382 -3.237 1.00 33.04 C ATOM 1442 C PHE A 93 5.235 13.395 -4.636 1.00 32.11 C ATOM 1443 O PHE A 93 5.040 14.339 -5.397 1.00 35.04 O ATOM 1444 CB PHE A 93 5.498 14.194 -2.268 1.00 22.24 C ATOM 1445 CG PHE A 93 4.772 14.697 -1.039 1.00 22.31 C ATOM 1446 CD1 PHE A 93 3.865 13.895 -0.362 1.00 73.35 C ATOM 1447 CD2 PHE A 93 4.999 15.982 -0.568 1.00 64.33 C ATOM 1448 CE1 PHE A 93 3.203 14.363 0.757 1.00 60.13 C ATOM 1449 CE2 PHE A 93 4.339 16.454 0.550 1.00 42.31 C ATOM 1450 CZ PHE A 93 3.441 15.644 1.214 1.00 40.02 C ATOM 0 H PHE A 93 5.028 11.784 -1.943 1.00 13.50 H new ATOM 0 HA PHE A 93 3.640 13.844 -3.294 1.00 33.04 H new ATOM 0 HB2 PHE A 93 6.338 13.576 -1.951 1.00 22.24 H new ATOM 0 HB3 PHE A 93 5.915 15.047 -2.803 1.00 22.24 H new ATOM 0 HD1 PHE A 93 3.674 12.892 -0.714 1.00 73.35 H new ATOM 0 HD2 PHE A 93 5.701 16.622 -1.082 1.00 64.33 H new ATOM 0 HE1 PHE A 93 2.500 13.727 1.274 1.00 60.13 H new ATOM 0 HE2 PHE A 93 4.526 17.457 0.904 1.00 42.31 H new ATOM 0 HZ PHE A 93 2.925 16.011 2.089 1.00 40.02 H new ATOM 1460 N ALA A 94 5.956 12.332 -4.973 1.00 12.24 N ATOM 1461 CA ALA A 94 6.599 12.230 -6.276 1.00 12.21 C ATOM 1462 C ALA A 94 5.656 11.641 -7.323 1.00 41.31 C ATOM 1463 O ALA A 94 6.000 11.563 -8.507 1.00 11.42 O ATOM 1464 CB ALA A 94 7.865 11.396 -6.176 1.00 32.03 C ATOM 0 H ALA A 94 6.109 11.530 -4.362 1.00 12.24 H new ATOM 0 HA ALA A 94 6.862 13.238 -6.596 1.00 12.21 H new ATOM 0 HB1 ALA A 94 8.335 11.328 -7.157 1.00 32.03 H new ATOM 0 HB2 ALA A 94 8.555 11.865 -5.475 1.00 32.03 H new ATOM 0 HB3 ALA A 94 7.615 10.395 -5.824 1.00 32.03 H new ATOM 1470 N LEU A 95 4.481 11.220 -6.893 1.00 32.54 N ATOM 1471 CA LEU A 95 3.499 10.643 -7.800 1.00 35.24 C ATOM 1472 C LEU A 95 2.496 11.694 -8.230 1.00 64.24 C ATOM 1473 O LEU A 95 2.131 12.568 -7.450 1.00 24.32 O ATOM 1474 CB LEU A 95 2.748 9.484 -7.129 1.00 52.12 C ATOM 1475 CG LEU A 95 3.586 8.281 -6.706 1.00 4.13 C ATOM 1476 CD1 LEU A 95 2.713 7.246 -6.021 1.00 61.11 C ATOM 1477 CD2 LEU A 95 4.291 7.669 -7.903 1.00 72.44 C ATOM 0 H LEU A 95 4.180 11.266 -5.919 1.00 32.54 H new ATOM 0 HA LEU A 95 4.034 10.267 -8.672 1.00 35.24 H new ATOM 0 HB2 LEU A 95 2.240 9.873 -6.246 1.00 52.12 H new ATOM 0 HB3 LEU A 95 1.975 9.137 -7.814 1.00 52.12 H new ATOM 0 HG LEU A 95 4.344 8.622 -6.001 1.00 4.13 H new ATOM 0 HD11 LEU A 95 3.324 6.393 -5.725 1.00 61.11 H new ATOM 0 HD12 LEU A 95 2.252 7.687 -5.137 1.00 61.11 H new ATOM 0 HD13 LEU A 95 1.935 6.914 -6.709 1.00 61.11 H new ATOM 0 HD21 LEU A 95 4.883 6.813 -7.578 1.00 72.44 H new ATOM 0 HD22 LEU A 95 3.551 7.342 -8.633 1.00 72.44 H new ATOM 0 HD23 LEU A 95 4.947 8.412 -8.358 1.00 72.44 H new ATOM 1489 N ARG A 96 2.065 11.617 -9.472 1.00 72.42 N ATOM 1490 CA ARG A 96 1.044 12.518 -9.972 1.00 2.34 C ATOM 1491 C ARG A 96 -0.334 11.902 -9.794 1.00 61.42 C ATOM 1492 O ARG A 96 -0.469 10.788 -9.280 1.00 72.01 O ATOM 1493 CB ARG A 96 1.271 12.849 -11.446 1.00 21.41 C ATOM 1494 CG ARG A 96 2.417 13.808 -11.708 1.00 42.45 C ATOM 1495 CD ARG A 96 2.529 14.112 -13.188 1.00 0.22 C ATOM 1496 NE ARG A 96 3.568 15.097 -13.480 1.00 43.03 N ATOM 1497 CZ ARG A 96 3.664 15.757 -14.634 1.00 43.51 C ATOM 1498 NH1 ARG A 96 2.784 15.530 -15.609 1.00 52.21 N ATOM 1499 NH2 ARG A 96 4.642 16.637 -14.818 1.00 54.12 N ATOM 0 H ARG A 96 2.405 10.940 -10.155 1.00 72.42 H new ATOM 0 HA ARG A 96 1.106 13.442 -9.398 1.00 2.34 H new ATOM 0 HB2 ARG A 96 1.459 11.922 -11.988 1.00 21.41 H new ATOM 0 HB3 ARG A 96 0.355 13.277 -11.854 1.00 21.41 H new ATOM 0 HG2 ARG A 96 2.259 14.732 -11.152 1.00 42.45 H new ATOM 0 HG3 ARG A 96 3.350 13.375 -11.348 1.00 42.45 H new ATOM 0 HD2 ARG A 96 2.744 13.191 -13.730 1.00 0.22 H new ATOM 0 HD3 ARG A 96 1.571 14.481 -13.553 1.00 0.22 H new ATOM 0 HE ARG A 96 4.261 15.291 -12.757 1.00 43.03 H new ATOM 0 HH11 ARG A 96 2.036 14.850 -15.473 1.00 52.21 H new ATOM 0 HH12 ARG A 96 2.859 16.036 -16.492 1.00 52.21 H new ATOM 0 HH21 ARG A 96 5.320 16.808 -14.076 1.00 54.12 H new ATOM 0 HH22 ARG A 96 4.715 17.142 -15.702 1.00 54.12 H new ATOM 1513 N THR A 97 -1.344 12.624 -10.216 1.00 63.50 N ATOM 1514 CA THR A 97 -2.708 12.161 -10.136 1.00 74.41 C ATOM 1515 C THR A 97 -2.907 10.935 -11.032 1.00 63.11 C ATOM 1516 O THR A 97 -2.585 10.968 -12.224 1.00 0.31 O ATOM 1517 CB THR A 97 -3.669 13.276 -10.571 1.00 74.34 C ATOM 1518 OG1 THR A 97 -3.333 14.485 -9.876 1.00 55.40 O ATOM 1519 CG2 THR A 97 -5.109 12.903 -10.265 1.00 64.54 C ATOM 0 H THR A 97 -1.242 13.552 -10.626 1.00 63.50 H new ATOM 0 HA THR A 97 -2.920 11.885 -9.103 1.00 74.41 H new ATOM 0 HB THR A 97 -3.571 13.419 -11.647 1.00 74.34 H new ATOM 0 HG1 THR A 97 -3.470 14.358 -8.914 1.00 55.40 H new ATOM 0 HG21 THR A 97 -5.769 13.710 -10.583 1.00 64.54 H new ATOM 0 HG22 THR A 97 -5.369 11.989 -10.799 1.00 64.54 H new ATOM 0 HG23 THR A 97 -5.223 12.742 -9.193 1.00 64.54 H new ATOM 1527 N GLY A 98 -3.399 9.853 -10.446 1.00 55.14 N ATOM 1528 CA GLY A 98 -3.631 8.640 -11.200 1.00 62.33 C ATOM 1529 C GLY A 98 -2.362 7.847 -11.400 1.00 54.05 C ATOM 1530 O GLY A 98 -2.265 7.030 -12.318 1.00 1.02 O ATOM 0 H GLY A 98 -3.642 9.795 -9.457 1.00 55.14 H new ATOM 0 HA2 GLY A 98 -4.365 8.025 -10.680 1.00 62.33 H new ATOM 0 HA3 GLY A 98 -4.058 8.893 -12.171 1.00 62.33 H new ATOM 1534 N GLU A 99 -1.382 8.084 -10.550 1.00 72.11 N ATOM 1535 CA GLU A 99 -0.124 7.388 -10.658 1.00 45.34 C ATOM 1536 C GLU A 99 0.074 6.438 -9.485 1.00 71.21 C ATOM 1537 O GLU A 99 -0.323 6.734 -8.349 1.00 32.22 O ATOM 1538 CB GLU A 99 1.040 8.378 -10.759 1.00 54.42 C ATOM 1539 CG GLU A 99 2.369 7.722 -11.093 1.00 71.50 C ATOM 1540 CD GLU A 99 2.309 6.929 -12.378 1.00 22.12 C ATOM 1541 OE1 GLU A 99 1.865 5.762 -12.342 1.00 14.21 O ATOM 1542 OE2 GLU A 99 2.698 7.469 -13.433 1.00 44.40 O ATOM 0 H GLU A 99 -1.436 8.752 -9.781 1.00 72.11 H new ATOM 0 HA GLU A 99 -0.145 6.795 -11.573 1.00 45.34 H new ATOM 0 HB2 GLU A 99 0.809 9.121 -11.522 1.00 54.42 H new ATOM 0 HB3 GLU A 99 1.135 8.912 -9.813 1.00 54.42 H new ATOM 0 HG2 GLU A 99 3.139 8.489 -11.177 1.00 71.50 H new ATOM 0 HG3 GLU A 99 2.663 7.064 -10.275 1.00 71.50 H new ATOM 1549 N MET A 100 0.685 5.303 -9.771 1.00 13.42 N ATOM 1550 CA MET A 100 0.938 4.281 -8.776 1.00 24.21 C ATOM 1551 C MET A 100 2.423 3.949 -8.745 1.00 71.43 C ATOM 1552 O MET A 100 3.053 3.793 -9.791 1.00 31.04 O ATOM 1553 CB MET A 100 0.119 3.022 -9.094 1.00 33.11 C ATOM 1554 CG MET A 100 0.275 1.900 -8.078 1.00 34.14 C ATOM 1555 SD MET A 100 -0.763 0.467 -8.449 1.00 30.21 S ATOM 1556 CE MET A 100 -0.107 -0.032 -10.041 1.00 60.32 C ATOM 0 H MET A 100 1.021 5.065 -10.704 1.00 13.42 H new ATOM 0 HA MET A 100 0.638 4.654 -7.797 1.00 24.21 H new ATOM 0 HB2 MET A 100 -0.934 3.295 -9.158 1.00 33.11 H new ATOM 0 HB3 MET A 100 0.412 2.651 -10.076 1.00 33.11 H new ATOM 0 HG2 MET A 100 1.319 1.588 -8.046 1.00 34.14 H new ATOM 0 HG3 MET A 100 0.025 2.277 -7.086 1.00 34.14 H new ATOM 0 HE1 MET A 100 -0.507 -1.010 -10.309 1.00 60.32 H new ATOM 0 HE2 MET A 100 -0.394 0.698 -10.798 1.00 60.32 H new ATOM 0 HE3 MET A 100 0.980 -0.088 -9.985 1.00 60.32 H new ATOM 1566 N SER A 101 2.980 3.855 -7.554 1.00 45.12 N ATOM 1567 CA SER A 101 4.391 3.551 -7.400 1.00 34.31 C ATOM 1568 C SER A 101 4.649 2.052 -7.554 1.00 74.11 C ATOM 1569 O SER A 101 5.252 1.607 -8.538 1.00 70.23 O ATOM 1570 CB SER A 101 4.886 4.045 -6.036 1.00 4.22 C ATOM 1571 OG SER A 101 4.025 3.607 -4.991 1.00 13.35 O ATOM 0 H SER A 101 2.477 3.985 -6.676 1.00 45.12 H new ATOM 0 HA SER A 101 4.943 4.067 -8.185 1.00 34.31 H new ATOM 0 HB2 SER A 101 5.897 3.678 -5.857 1.00 4.22 H new ATOM 0 HB3 SER A 101 4.938 5.134 -6.037 1.00 4.22 H new ATOM 0 HG SER A 101 4.363 3.933 -4.131 1.00 13.35 H new ATOM 1577 N GLY A 102 4.185 1.290 -6.593 1.00 72.11 N ATOM 1578 CA GLY A 102 4.377 -0.132 -6.613 1.00 50.21 C ATOM 1579 C GLY A 102 4.700 -0.657 -5.239 1.00 3.33 C ATOM 1580 O GLY A 102 4.158 -0.161 -4.255 1.00 22.12 O ATOM 0 H GLY A 102 3.669 1.638 -5.785 1.00 72.11 H new ATOM 0 HA2 GLY A 102 3.476 -0.618 -6.989 1.00 50.21 H new ATOM 0 HA3 GLY A 102 5.185 -0.383 -7.300 1.00 50.21 H new ATOM 1584 N PRO A 103 5.586 -1.652 -5.137 1.00 75.24 N ATOM 1585 CA PRO A 103 5.968 -2.234 -3.856 1.00 73.25 C ATOM 1586 C PRO A 103 6.937 -1.347 -3.061 1.00 73.14 C ATOM 1587 O PRO A 103 8.142 -1.329 -3.322 1.00 61.34 O ATOM 1588 CB PRO A 103 6.649 -3.546 -4.250 1.00 51.30 C ATOM 1589 CG PRO A 103 7.198 -3.294 -5.614 1.00 41.31 C ATOM 1590 CD PRO A 103 6.278 -2.298 -6.271 1.00 74.50 C ATOM 0 HA PRO A 103 5.106 -2.360 -3.201 1.00 73.25 H new ATOM 0 HB2 PRO A 103 7.440 -3.808 -3.547 1.00 51.30 H new ATOM 0 HB3 PRO A 103 5.940 -4.374 -4.255 1.00 51.30 H new ATOM 0 HG2 PRO A 103 8.214 -2.904 -5.557 1.00 41.31 H new ATOM 0 HG3 PRO A 103 7.244 -4.218 -6.190 1.00 41.31 H new ATOM 0 HD2 PRO A 103 6.833 -1.573 -6.866 1.00 74.50 H new ATOM 0 HD3 PRO A 103 5.573 -2.788 -6.943 1.00 74.50 H new ATOM 1598 N VAL A 104 6.399 -0.594 -2.119 1.00 22.32 N ATOM 1599 CA VAL A 104 7.212 0.229 -1.244 1.00 42.32 C ATOM 1600 C VAL A 104 7.491 -0.534 0.048 1.00 42.43 C ATOM 1601 O VAL A 104 6.580 -0.776 0.849 1.00 64.44 O ATOM 1602 CB VAL A 104 6.526 1.579 -0.917 1.00 13.22 C ATOM 1603 CG1 VAL A 104 7.409 2.434 -0.017 1.00 52.42 C ATOM 1604 CG2 VAL A 104 6.184 2.327 -2.199 1.00 62.21 C ATOM 0 H VAL A 104 5.396 -0.536 -1.940 1.00 22.32 H new ATOM 0 HA VAL A 104 8.145 0.452 -1.761 1.00 42.32 H new ATOM 0 HB VAL A 104 5.600 1.369 -0.381 1.00 13.22 H new ATOM 0 HG11 VAL A 104 6.905 3.376 0.198 1.00 52.42 H new ATOM 0 HG12 VAL A 104 7.600 1.903 0.916 1.00 52.42 H new ATOM 0 HG13 VAL A 104 8.355 2.635 -0.520 1.00 52.42 H new ATOM 0 HG21 VAL A 104 5.703 3.273 -1.951 1.00 62.21 H new ATOM 0 HG22 VAL A 104 7.097 2.521 -2.762 1.00 62.21 H new ATOM 0 HG23 VAL A 104 5.507 1.723 -2.803 1.00 62.21 H new ATOM 1614 N PHE A 105 8.735 -0.922 0.235 1.00 73.01 N ATOM 1615 CA PHE A 105 9.129 -1.711 1.391 1.00 34.31 C ATOM 1616 C PHE A 105 9.368 -0.840 2.616 1.00 2.34 C ATOM 1617 O PHE A 105 10.190 0.083 2.591 1.00 52.12 O ATOM 1618 CB PHE A 105 10.378 -2.537 1.074 1.00 72.01 C ATOM 1619 CG PHE A 105 10.131 -3.651 0.093 1.00 5.02 C ATOM 1620 CD1 PHE A 105 10.045 -3.395 -1.264 1.00 75.02 C ATOM 1621 CD2 PHE A 105 9.983 -4.954 0.535 1.00 11.03 C ATOM 1622 CE1 PHE A 105 9.817 -4.416 -2.161 1.00 15.34 C ATOM 1623 CE2 PHE A 105 9.756 -5.982 -0.358 1.00 72.21 C ATOM 1624 CZ PHE A 105 9.672 -5.711 -1.708 1.00 23.33 C ATOM 0 H PHE A 105 9.500 -0.703 -0.403 1.00 73.01 H new ATOM 0 HA PHE A 105 8.305 -2.386 1.623 1.00 34.31 H new ATOM 0 HB2 PHE A 105 11.148 -1.877 0.675 1.00 72.01 H new ATOM 0 HB3 PHE A 105 10.769 -2.959 2.000 1.00 72.01 H new ATOM 0 HD1 PHE A 105 10.158 -2.383 -1.624 1.00 75.02 H new ATOM 0 HD2 PHE A 105 10.046 -5.169 1.591 1.00 11.03 H new ATOM 0 HE1 PHE A 105 9.752 -4.203 -3.218 1.00 15.34 H new ATOM 0 HE2 PHE A 105 9.645 -6.995 -0.001 1.00 72.21 H new ATOM 0 HZ PHE A 105 9.493 -6.512 -2.410 1.00 23.33 H new ATOM 1634 N THR A 106 8.645 -1.141 3.681 1.00 31.12 N ATOM 1635 CA THR A 106 8.767 -0.425 4.940 1.00 63.12 C ATOM 1636 C THR A 106 8.769 -1.418 6.097 1.00 1.11 C ATOM 1637 O THR A 106 8.550 -2.614 5.889 1.00 51.23 O ATOM 1638 CB THR A 106 7.596 0.560 5.142 1.00 42.51 C ATOM 1639 OG1 THR A 106 6.351 -0.153 5.077 1.00 14.41 O ATOM 1640 CG2 THR A 106 7.608 1.667 4.094 1.00 34.41 C ATOM 0 H THR A 106 7.954 -1.891 3.697 1.00 31.12 H new ATOM 0 HA THR A 106 9.701 0.136 4.914 1.00 63.12 H new ATOM 0 HB THR A 106 7.710 1.023 6.122 1.00 42.51 H new ATOM 0 HG1 THR A 106 6.512 -1.064 4.755 1.00 14.41 H new ATOM 0 HG21 THR A 106 6.769 2.341 4.268 1.00 34.41 H new ATOM 0 HG22 THR A 106 8.542 2.224 4.164 1.00 34.41 H new ATOM 0 HG23 THR A 106 7.521 1.228 3.100 1.00 34.41 H new ATOM 1648 N ASP A 107 8.989 -0.927 7.306 1.00 73.14 N ATOM 1649 CA ASP A 107 8.994 -1.784 8.497 1.00 62.21 C ATOM 1650 C ASP A 107 7.627 -2.421 8.716 1.00 53.05 C ATOM 1651 O ASP A 107 7.523 -3.536 9.228 1.00 3.34 O ATOM 1652 CB ASP A 107 9.383 -0.986 9.742 1.00 22.15 C ATOM 1653 CG ASP A 107 10.813 -0.501 9.723 1.00 40.53 C ATOM 1654 OD1 ASP A 107 11.712 -1.264 10.133 1.00 41.12 O ATOM 1655 OD2 ASP A 107 11.047 0.651 9.314 1.00 50.20 O ATOM 0 H ASP A 107 9.167 0.059 7.496 1.00 73.14 H new ATOM 0 HA ASP A 107 9.731 -2.569 8.330 1.00 62.21 H new ATOM 0 HB2 ASP A 107 8.718 -0.128 9.837 1.00 22.15 H new ATOM 0 HB3 ASP A 107 9.230 -1.607 10.625 1.00 22.15 H new ATOM 1660 N SER A 108 6.585 -1.708 8.317 1.00 24.10 N ATOM 1661 CA SER A 108 5.214 -2.183 8.476 1.00 23.04 C ATOM 1662 C SER A 108 4.830 -3.192 7.384 1.00 23.03 C ATOM 1663 O SER A 108 3.748 -3.774 7.417 1.00 13.24 O ATOM 1664 CB SER A 108 4.250 -0.993 8.458 1.00 71.51 C ATOM 1665 OG SER A 108 4.436 -0.199 7.286 1.00 14.41 O ATOM 0 H SER A 108 6.661 -0.791 7.877 1.00 24.10 H new ATOM 0 HA SER A 108 5.145 -2.696 9.435 1.00 23.04 H new ATOM 0 HB2 SER A 108 3.222 -1.353 8.498 1.00 71.51 H new ATOM 0 HB3 SER A 108 4.408 -0.380 9.345 1.00 71.51 H new ATOM 0 HG SER A 108 5.117 -0.613 6.715 1.00 14.41 H new ATOM 1671 N GLY A 109 5.718 -3.390 6.423 1.00 3.20 N ATOM 1672 CA GLY A 109 5.440 -4.302 5.340 1.00 15.14 C ATOM 1673 C GLY A 109 5.543 -3.625 3.993 1.00 63.30 C ATOM 1674 O GLY A 109 6.217 -2.596 3.860 1.00 0.02 O ATOM 0 H GLY A 109 6.629 -2.933 6.376 1.00 3.20 H new ATOM 0 HA2 GLY A 109 6.139 -5.138 5.381 1.00 15.14 H new ATOM 0 HA3 GLY A 109 4.439 -4.717 5.462 1.00 15.14 H new ATOM 1678 N ILE A 110 4.876 -4.183 3.002 1.00 15.33 N ATOM 1679 CA ILE A 110 4.913 -3.637 1.655 1.00 23.42 C ATOM 1680 C ILE A 110 3.689 -2.764 1.402 1.00 52.04 C ATOM 1681 O ILE A 110 2.555 -3.196 1.618 1.00 74.54 O ATOM 1682 CB ILE A 110 4.964 -4.761 0.593 1.00 70.22 C ATOM 1683 CG1 ILE A 110 6.097 -5.746 0.910 1.00 75.23 C ATOM 1684 CG2 ILE A 110 5.148 -4.166 -0.800 1.00 63.33 C ATOM 1685 CD1 ILE A 110 6.142 -6.949 -0.013 1.00 43.41 C ATOM 0 H ILE A 110 4.299 -5.018 3.103 1.00 15.33 H new ATOM 0 HA ILE A 110 5.818 -3.035 1.571 1.00 23.42 H new ATOM 0 HB ILE A 110 4.019 -5.304 0.616 1.00 70.22 H new ATOM 0 HG12 ILE A 110 7.050 -5.220 0.851 1.00 75.23 H new ATOM 0 HG13 ILE A 110 5.987 -6.093 1.938 1.00 75.23 H new ATOM 0 HG21 ILE A 110 5.182 -4.969 -1.537 1.00 63.33 H new ATOM 0 HG22 ILE A 110 4.313 -3.502 -1.025 1.00 63.33 H new ATOM 0 HG23 ILE A 110 6.080 -3.602 -0.835 1.00 63.33 H new ATOM 0 HD11 ILE A 110 6.969 -7.598 0.275 1.00 43.41 H new ATOM 0 HD12 ILE A 110 5.205 -7.501 0.062 1.00 43.41 H new ATOM 0 HD13 ILE A 110 6.284 -6.614 -1.040 1.00 43.41 H new ATOM 1697 N HIS A 111 3.919 -1.537 0.963 1.00 44.20 N ATOM 1698 CA HIS A 111 2.831 -0.611 0.678 1.00 14.54 C ATOM 1699 C HIS A 111 2.764 -0.283 -0.797 1.00 33.23 C ATOM 1700 O HIS A 111 3.782 -0.033 -1.423 1.00 23.42 O ATOM 1701 CB HIS A 111 2.998 0.705 1.451 1.00 75.34 C ATOM 1702 CG HIS A 111 2.804 0.608 2.928 1.00 12.51 C ATOM 1703 ND1 HIS A 111 1.564 0.648 3.533 1.00 23.53 N ATOM 1704 CD2 HIS A 111 3.702 0.522 3.930 1.00 13.44 C ATOM 1705 CE1 HIS A 111 1.717 0.597 4.845 1.00 73.33 C ATOM 1706 NE2 HIS A 111 3.001 0.518 5.108 1.00 11.31 N ATOM 0 H HIS A 111 4.851 -1.157 0.796 1.00 44.20 H new ATOM 0 HA HIS A 111 1.912 -1.107 0.991 1.00 14.54 H new ATOM 0 HB2 HIS A 111 3.997 1.096 1.258 1.00 75.34 H new ATOM 0 HB3 HIS A 111 2.289 1.432 1.055 1.00 75.34 H new ATOM 0 HD2 HIS A 111 4.775 0.467 3.824 1.00 13.44 H new ATOM 0 HE1 HIS A 111 0.922 0.617 5.576 1.00 73.33 H new ATOM 0 HE2 HIS A 111 3.411 0.463 6.040 1.00 11.31 H new ATOM 1715 N ILE A 112 1.567 -0.293 -1.343 1.00 71.50 N ATOM 1716 CA ILE A 112 1.351 0.135 -2.717 1.00 50.45 C ATOM 1717 C ILE A 112 0.686 1.503 -2.682 1.00 12.15 C ATOM 1718 O ILE A 112 -0.345 1.669 -2.029 1.00 14.22 O ATOM 1719 CB ILE A 112 0.447 -0.844 -3.503 1.00 62.24 C ATOM 1720 CG1 ILE A 112 0.965 -2.281 -3.383 1.00 41.32 C ATOM 1721 CG2 ILE A 112 0.377 -0.429 -4.970 1.00 33.23 C ATOM 1722 CD1 ILE A 112 0.094 -3.300 -4.094 1.00 52.24 C ATOM 0 H ILE A 112 0.722 -0.594 -0.857 1.00 71.50 H new ATOM 0 HA ILE A 112 2.315 0.166 -3.224 1.00 50.45 H new ATOM 0 HB ILE A 112 -0.555 -0.806 -3.075 1.00 62.24 H new ATOM 0 HG12 ILE A 112 1.975 -2.330 -3.791 1.00 41.32 H new ATOM 0 HG13 ILE A 112 1.034 -2.547 -2.328 1.00 41.32 H new ATOM 0 HG21 ILE A 112 -0.262 -1.124 -5.515 1.00 33.23 H new ATOM 0 HG22 ILE A 112 -0.036 0.577 -5.044 1.00 33.23 H new ATOM 0 HG23 ILE A 112 1.378 -0.443 -5.400 1.00 33.23 H new ATOM 0 HD11 ILE A 112 0.521 -4.295 -3.967 1.00 52.24 H new ATOM 0 HD12 ILE A 112 -0.910 -3.279 -3.670 1.00 52.24 H new ATOM 0 HD13 ILE A 112 0.045 -3.059 -5.156 1.00 52.24 H new ATOM 1734 N ILE A 113 1.274 2.477 -3.353 1.00 62.44 N ATOM 1735 CA ILE A 113 0.751 3.840 -3.313 1.00 31.21 C ATOM 1736 C ILE A 113 0.087 4.230 -4.629 1.00 35.55 C ATOM 1737 O ILE A 113 0.675 4.078 -5.702 1.00 12.10 O ATOM 1738 CB ILE A 113 1.867 4.861 -3.004 1.00 24.04 C ATOM 1739 CG1 ILE A 113 2.686 4.407 -1.794 1.00 23.10 C ATOM 1740 CG2 ILE A 113 1.268 6.243 -2.752 1.00 20.32 C ATOM 1741 CD1 ILE A 113 3.871 5.297 -1.490 1.00 65.31 C ATOM 0 H ILE A 113 2.107 2.356 -3.929 1.00 62.44 H new ATOM 0 HA ILE A 113 0.007 3.859 -2.517 1.00 31.21 H new ATOM 0 HB ILE A 113 2.529 4.922 -3.867 1.00 24.04 H new ATOM 0 HG12 ILE A 113 2.036 4.372 -0.920 1.00 23.10 H new ATOM 0 HG13 ILE A 113 3.041 3.391 -1.968 1.00 23.10 H new ATOM 0 HG21 ILE A 113 2.067 6.952 -2.536 1.00 20.32 H new ATOM 0 HG22 ILE A 113 0.723 6.570 -3.637 1.00 20.32 H new ATOM 0 HG23 ILE A 113 0.586 6.195 -1.903 1.00 20.32 H new ATOM 0 HD11 ILE A 113 4.402 4.911 -0.620 1.00 65.31 H new ATOM 0 HD12 ILE A 113 4.543 5.313 -2.348 1.00 65.31 H new ATOM 0 HD13 ILE A 113 3.522 6.309 -1.283 1.00 65.31 H new ATOM 1753 N LEU A 114 -1.132 4.733 -4.531 1.00 2.40 N ATOM 1754 CA LEU A 114 -1.876 5.216 -5.682 1.00 1.22 C ATOM 1755 C LEU A 114 -2.451 6.598 -5.377 1.00 41.13 C ATOM 1756 O LEU A 114 -3.367 6.729 -4.564 1.00 71.33 O ATOM 1757 CB LEU A 114 -3.012 4.244 -6.036 1.00 22.03 C ATOM 1758 CG LEU A 114 -3.953 4.695 -7.164 1.00 21.40 C ATOM 1759 CD1 LEU A 114 -3.218 4.766 -8.492 1.00 70.02 C ATOM 1760 CD2 LEU A 114 -5.149 3.763 -7.263 1.00 63.32 C ATOM 0 H LEU A 114 -1.635 4.818 -3.648 1.00 2.40 H new ATOM 0 HA LEU A 114 -1.200 5.284 -6.534 1.00 1.22 H new ATOM 0 HB2 LEU A 114 -2.571 3.287 -6.317 1.00 22.03 H new ATOM 0 HB3 LEU A 114 -3.608 4.070 -5.140 1.00 22.03 H new ATOM 0 HG LEU A 114 -4.313 5.696 -6.925 1.00 21.40 H new ATOM 0 HD11 LEU A 114 -3.907 5.088 -9.273 1.00 70.02 H new ATOM 0 HD12 LEU A 114 -2.397 5.479 -8.416 1.00 70.02 H new ATOM 0 HD13 LEU A 114 -2.821 3.782 -8.741 1.00 70.02 H new ATOM 0 HD21 LEU A 114 -5.805 4.097 -8.067 1.00 63.32 H new ATOM 0 HD22 LEU A 114 -4.805 2.750 -7.473 1.00 63.32 H new ATOM 0 HD23 LEU A 114 -5.696 3.772 -6.320 1.00 63.32 H new ATOM 1772 N ARG A 115 -1.905 7.624 -6.006 1.00 31.23 N ATOM 1773 CA ARG A 115 -2.376 8.984 -5.772 1.00 70.14 C ATOM 1774 C ARG A 115 -3.625 9.268 -6.591 1.00 32.44 C ATOM 1775 O ARG A 115 -3.604 9.187 -7.819 1.00 12.14 O ATOM 1776 CB ARG A 115 -1.291 10.015 -6.097 1.00 73.24 C ATOM 1777 CG ARG A 115 -1.774 11.450 -5.938 1.00 75.32 C ATOM 1778 CD ARG A 115 -0.705 12.459 -6.298 1.00 13.20 C ATOM 1779 NE ARG A 115 -1.248 13.816 -6.319 1.00 4.10 N ATOM 1780 CZ ARG A 115 -0.600 14.896 -6.745 1.00 71.43 C ATOM 1781 NH1 ARG A 115 0.662 14.812 -7.155 1.00 25.40 N ATOM 1782 NH2 ARG A 115 -1.222 16.065 -6.753 1.00 54.44 N ATOM 0 H ARG A 115 -1.141 7.546 -6.678 1.00 31.23 H new ATOM 0 HA ARG A 115 -2.620 9.069 -4.713 1.00 70.14 H new ATOM 0 HB2 ARG A 115 -0.433 9.851 -5.445 1.00 73.24 H new ATOM 0 HB3 ARG A 115 -0.947 9.864 -7.120 1.00 73.24 H new ATOM 0 HG2 ARG A 115 -2.648 11.609 -6.570 1.00 75.32 H new ATOM 0 HG3 ARG A 115 -2.091 11.612 -4.908 1.00 75.32 H new ATOM 0 HD2 ARG A 115 0.111 12.402 -5.578 1.00 13.20 H new ATOM 0 HD3 ARG A 115 -0.286 12.217 -7.275 1.00 13.20 H new ATOM 0 HE ARG A 115 -2.201 13.945 -5.979 1.00 4.10 H new ATOM 0 HH11 ARG A 115 1.143 13.912 -7.145 1.00 25.40 H new ATOM 0 HH12 ARG A 115 1.149 15.647 -7.480 1.00 25.40 H new ATOM 0 HH21 ARG A 115 -2.189 16.131 -6.434 1.00 54.44 H new ATOM 0 HH22 ARG A 115 -0.734 16.900 -7.078 1.00 54.44 H new ATOM 1796 N THR A 116 -4.705 9.607 -5.913 1.00 42.14 N ATOM 1797 CA THR A 116 -5.959 9.885 -6.581 1.00 22.14 C ATOM 1798 C THR A 116 -6.190 11.393 -6.725 1.00 64.30 C ATOM 1799 O THR A 116 -6.846 11.848 -7.671 1.00 25.44 O ATOM 1800 CB THR A 116 -7.135 9.249 -5.820 1.00 13.34 C ATOM 1801 OG1 THR A 116 -7.116 9.676 -4.451 1.00 53.42 O ATOM 1802 CG2 THR A 116 -7.050 7.730 -5.875 1.00 41.14 C ATOM 0 H THR A 116 -4.737 9.696 -4.897 1.00 42.14 H new ATOM 0 HA THR A 116 -5.902 9.447 -7.578 1.00 22.14 H new ATOM 0 HB THR A 116 -8.064 9.568 -6.292 1.00 13.34 H new ATOM 0 HG1 THR A 116 -7.868 9.270 -3.971 1.00 53.42 H new ATOM 0 HG21 THR A 116 -7.890 7.299 -5.331 1.00 41.14 H new ATOM 0 HG22 THR A 116 -7.083 7.401 -6.914 1.00 41.14 H new ATOM 0 HG23 THR A 116 -6.116 7.401 -5.420 1.00 41.14 H new ATOM 1810 N GLU A 117 -5.645 12.160 -5.790 1.00 33.15 N ATOM 1811 CA GLU A 117 -5.781 13.608 -5.805 1.00 3.23 C ATOM 1812 C GLU A 117 -4.473 14.268 -6.230 1.00 22.13 C ATOM 1813 O GLU A 117 -3.668 14.618 -5.344 1.00 0.00 O ATOM 1814 CB GLU A 117 -6.194 14.113 -4.422 1.00 52.41 C ATOM 1815 CG GLU A 117 -7.590 13.694 -3.996 1.00 52.14 C ATOM 1816 CD GLU A 117 -8.673 14.387 -4.786 1.00 42.23 C ATOM 1817 OE1 GLU A 117 -9.023 15.538 -4.435 1.00 23.23 O ATOM 1818 OE2 GLU A 117 -9.192 13.792 -5.744 1.00 31.45 O ATOM 1819 OXT GLU A 117 -4.253 14.435 -7.442 1.00 0.00 O ATOM 0 H GLU A 117 -5.101 11.799 -5.007 1.00 33.15 H new ATOM 0 HA GLU A 117 -6.554 13.872 -6.527 1.00 3.23 H new ATOM 0 HB2 GLU A 117 -5.477 13.749 -3.686 1.00 52.41 H new ATOM 0 HB3 GLU A 117 -6.135 15.201 -4.413 1.00 52.41 H new ATOM 0 HG2 GLU A 117 -7.693 12.615 -4.115 1.00 52.14 H new ATOM 0 HG3 GLU A 117 -7.723 13.912 -2.936 1.00 52.14 H new TER 1826 GLU A 117