USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 922 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 48 HIS : no HE2:sc= -2.65! K(o=-2!,f=-2.7) USER MOD Set 1.2: A 82 THR OG1 : rot 114:sc= 0.611 USER MOD Set 2.1: A 60 GLN : amide:sc= -0.727 K(o=-0.88,f=-0.38) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.154 K(o=-0.88,f=-6.4!) USER MOD Set 3.1: A 75 SER OG : rot 112:sc= -0.765 USER MOD Set 3.2: A 105 HIS : no HE2:sc= -1.35! C(o=-2.1!,f=-4.6!) USER MOD Set 4.1: A 73 TYR OH : rot 75:sc= 2.26 USER MOD Set 4.2: A 115 TYR OH : rot -141:sc= 1.02 USER MOD Set 5.1: A 30 MET CE :methyl 163:sc= -4.07! (180deg=-3.17!) USER MOD Set 5.2: A 44 ASN : amide:sc= -5.32! C(o=-9.4!,f=-9!) USER MOD Set 6.1: A 17 SER OG : rot -155:sc= 1.57 USER MOD Set 6.2: A 25 TYR OH : rot 49:sc= -1.91! USER MOD Set 7.1: A 24 THR OG1 : rot 180:sc= 0.0804 USER MOD Set 7.2: A 28 GLN : amide:sc= -0.304 X(o=-0.22,f=0.17) USER MOD Set 8.1: A 11 GLN : amide:sc= -1.94 K(o=-14,f=-18!) USER MOD Set 8.2: A 12 HIS : no HD1:sc= -11.7! C(o=-14!,f=-15!) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.0931 (180deg=-0.512) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -4.1 K(o=-4.1,f=-5.6!) USER MOD Single : A 13 MET CE :methyl 170:sc= -0.981 (180deg=-1.39) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -52:sc= 0.461 USER MOD Single : A 21 SER OG : rot -137:sc= 0.858 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -5.85! C(o=-5.8!,f=-9.3!) USER MOD Single : A 29 MET CE :methyl 150:sc= -0.36 (180deg=-1.72!) USER MOD Single : A 34 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.7!) USER MOD Single : A 35 MET CE :methyl -163:sc= -0.0147 (180deg=-0.251) USER MOD Single : A 36 THR OG1 : rot -25:sc= -2.32 USER MOD Single : A 37 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.035) USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= -1.57! (180deg=-3.63!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -3.02 K(o=-3,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -0.702! K(o=-0.7!,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.133 K(o=-0.13,f=-9.9!) USER MOD Single : A 69 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.0037) USER MOD Single : A 71 ASN : amide:sc= -6.37! C(o=-6.4!,f=-4.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 167:sc= 0 (180deg=-0.161) USER MOD Single : A 80 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-0.82) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.062 X(o=-0.062,f=-0.16) USER MOD Single : A 90 SER OG : rot 88:sc= 0.836 USER MOD Single : A 92 TYR OH : rot -167:sc= 0.888 USER MOD Single : A 94 ASN : amide:sc= -0.845 K(o=-0.85,f=-0.19) USER MOD Single : A 97 TYR OH : rot 65:sc= 0.224 USER MOD Single : A 99 THR OG1 : rot 148:sc= 1.54 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-1.5!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0261 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.472 -0.281 -7.087 1.00 24.21 N ATOM 50 CA ARG A 4 -5.788 -0.876 -7.282 1.00 53.13 C ATOM 51 C ARG A 4 -5.837 -1.674 -8.582 1.00 40.20 C ATOM 52 O ARG A 4 -6.042 -2.887 -8.570 1.00 24.23 O ATOM 53 CB ARG A 4 -6.865 0.211 -7.298 1.00 21.22 C ATOM 54 CG ARG A 4 -8.258 -0.316 -7.601 1.00 61.31 C ATOM 55 CD ARG A 4 -9.326 0.721 -7.292 1.00 3.24 C ATOM 56 NE ARG A 4 -10.509 0.556 -8.131 1.00 33.30 N ATOM 57 CZ ARG A 4 -11.417 -0.396 -7.942 1.00 41.32 C ATOM 58 NH1 ARG A 4 -11.277 -1.262 -6.948 1.00 53.21 N ATOM 59 NH2 ARG A 4 -12.467 -0.482 -8.748 1.00 53.34 N ATOM 0 HA ARG A 4 -5.979 -1.555 -6.451 1.00 53.13 H new ATOM 0 HB2 ARG A 4 -6.878 0.712 -6.330 1.00 21.22 H new ATOM 0 HB3 ARG A 4 -6.600 0.962 -8.042 1.00 21.22 H new ATOM 0 HG2 ARG A 4 -8.320 -0.601 -8.651 1.00 61.31 H new ATOM 0 HG3 ARG A 4 -8.443 -1.216 -7.015 1.00 61.31 H new ATOM 0 HD2 ARG A 4 -9.612 0.645 -6.243 1.00 3.24 H new ATOM 0 HD3 ARG A 4 -8.914 1.720 -7.438 1.00 3.24 H new ATOM 0 HE ARG A 4 -10.646 1.207 -8.904 1.00 33.30 H new ATOM 0 HH11 ARG A 4 -10.471 -1.199 -6.326 1.00 53.21 H new ATOM 0 HH12 ARG A 4 -11.975 -1.992 -6.805 1.00 53.21 H new ATOM 0 HH21 ARG A 4 -12.578 0.183 -9.514 1.00 53.34 H new ATOM 0 HH22 ARG A 4 -13.163 -1.213 -8.602 1.00 53.34 H new ATOM 73 N ALA A 5 -5.648 -0.983 -9.702 1.00 31.23 N ATOM 74 CA ALA A 5 -5.669 -1.627 -11.009 1.00 61.21 C ATOM 75 C ALA A 5 -4.867 -2.924 -10.995 1.00 63.01 C ATOM 76 O ALA A 5 -5.248 -3.909 -11.627 1.00 72.32 O ATOM 77 CB ALA A 5 -5.129 -0.682 -12.072 1.00 2.32 C ATOM 0 H ALA A 5 -5.479 0.022 -9.730 1.00 31.23 H new ATOM 0 HA ALA A 5 -6.704 -1.873 -11.249 1.00 61.21 H new ATOM 0 HB1 ALA A 5 -5.151 -1.176 -13.043 1.00 2.32 H new ATOM 0 HB2 ALA A 5 -5.746 0.216 -12.108 1.00 2.32 H new ATOM 0 HB3 ALA A 5 -4.103 -0.407 -11.827 1.00 2.32 H new ATOM 83 N LYS A 6 -3.753 -2.917 -10.271 1.00 23.41 N ATOM 84 CA LYS A 6 -2.896 -4.093 -10.174 1.00 21.05 C ATOM 85 C LYS A 6 -3.688 -5.305 -9.695 1.00 20.44 C ATOM 86 O LYS A 6 -3.480 -6.423 -10.168 1.00 5.22 O ATOM 87 CB LYS A 6 -1.730 -3.823 -9.219 1.00 55.52 C ATOM 88 CG LYS A 6 -0.563 -3.104 -9.873 1.00 61.23 C ATOM 89 CD LYS A 6 0.482 -4.084 -10.379 1.00 24.42 C ATOM 90 CE LYS A 6 0.252 -4.440 -11.840 1.00 24.35 C ATOM 91 NZ LYS A 6 0.439 -3.264 -12.733 1.00 52.31 N ATOM 0 H LYS A 6 -3.422 -2.110 -9.743 1.00 23.41 H new ATOM 0 HA LYS A 6 -2.502 -4.307 -11.167 1.00 21.05 H new ATOM 0 HB2 LYS A 6 -2.089 -3.227 -8.380 1.00 55.52 H new ATOM 0 HB3 LYS A 6 -1.379 -4.771 -8.810 1.00 55.52 H new ATOM 0 HG2 LYS A 6 -0.927 -2.498 -10.703 1.00 61.23 H new ATOM 0 HG3 LYS A 6 -0.107 -2.422 -9.156 1.00 61.23 H new ATOM 0 HD2 LYS A 6 1.475 -3.651 -10.261 1.00 24.42 H new ATOM 0 HD3 LYS A 6 0.455 -4.990 -9.774 1.00 24.42 H new ATOM 0 HE2 LYS A 6 0.941 -5.232 -12.134 1.00 24.35 H new ATOM 0 HE3 LYS A 6 -0.757 -4.833 -11.964 1.00 24.35 H new ATOM 0 HZ1 LYS A 6 0.711 -3.589 -13.683 1.00 52.31 H new ATOM 0 HZ2 LYS A 6 -0.450 -2.728 -12.792 1.00 52.31 H new ATOM 0 HZ3 LYS A 6 1.187 -2.652 -12.349 1.00 52.31 H new ATOM 105 N LYS A 7 -4.599 -5.078 -8.754 1.00 44.32 N ATOM 106 CA LYS A 7 -5.425 -6.150 -8.213 1.00 22.13 C ATOM 107 C LYS A 7 -6.204 -6.850 -9.322 1.00 4.11 C ATOM 108 O LYS A 7 -6.649 -7.986 -9.160 1.00 30.23 O ATOM 109 CB LYS A 7 -6.394 -5.596 -7.166 1.00 22.22 C ATOM 110 CG LYS A 7 -7.118 -6.674 -6.377 1.00 5.54 C ATOM 111 CD LYS A 7 -7.667 -6.132 -5.068 1.00 11.33 C ATOM 112 CE LYS A 7 -8.906 -6.895 -4.625 1.00 22.23 C ATOM 113 NZ LYS A 7 -8.589 -8.305 -4.264 1.00 0.33 N ATOM 0 H LYS A 7 -4.784 -4.160 -8.350 1.00 44.32 H new ATOM 0 HA LYS A 7 -4.766 -6.879 -7.740 1.00 22.13 H new ATOM 0 HB2 LYS A 7 -5.843 -4.959 -6.474 1.00 22.22 H new ATOM 0 HB3 LYS A 7 -7.131 -4.964 -7.663 1.00 22.22 H new ATOM 0 HG2 LYS A 7 -7.934 -7.078 -6.976 1.00 5.54 H new ATOM 0 HG3 LYS A 7 -6.434 -7.498 -6.173 1.00 5.54 H new ATOM 0 HD2 LYS A 7 -6.901 -6.199 -4.295 1.00 11.33 H new ATOM 0 HD3 LYS A 7 -7.911 -5.076 -5.184 1.00 11.33 H new ATOM 0 HE2 LYS A 7 -9.355 -6.393 -3.768 1.00 22.23 H new ATOM 0 HE3 LYS A 7 -9.646 -6.882 -5.425 1.00 22.23 H new ATOM 0 HZ1 LYS A 7 -9.459 -8.791 -3.967 1.00 0.33 H new ATOM 0 HZ2 LYS A 7 -8.184 -8.792 -5.089 1.00 0.33 H new ATOM 0 HZ3 LYS A 7 -7.902 -8.317 -3.483 1.00 0.33 H new ATOM 127 N PHE A 8 -6.363 -6.165 -10.449 1.00 52.15 N ATOM 128 CA PHE A 8 -7.088 -6.721 -11.586 1.00 62.40 C ATOM 129 C PHE A 8 -6.154 -7.526 -12.485 1.00 41.14 C ATOM 130 O PHE A 8 -6.332 -8.730 -12.663 1.00 35.53 O ATOM 131 CB PHE A 8 -7.752 -5.603 -12.392 1.00 1.13 C ATOM 132 CG PHE A 8 -7.931 -5.936 -13.845 1.00 72.42 C ATOM 133 CD1 PHE A 8 -6.935 -5.648 -14.764 1.00 21.12 C ATOM 134 CD2 PHE A 8 -9.097 -6.538 -14.293 1.00 5.31 C ATOM 135 CE1 PHE A 8 -7.097 -5.954 -16.102 1.00 45.11 C ATOM 136 CE2 PHE A 8 -9.264 -6.846 -15.630 1.00 24.23 C ATOM 137 CZ PHE A 8 -8.263 -6.553 -16.536 1.00 0.14 C ATOM 0 H PHE A 8 -6.000 -5.224 -10.600 1.00 52.15 H new ATOM 0 HA PHE A 8 -7.859 -7.389 -11.202 1.00 62.40 H new ATOM 0 HB2 PHE A 8 -8.726 -5.381 -11.956 1.00 1.13 H new ATOM 0 HB3 PHE A 8 -7.151 -4.698 -12.306 1.00 1.13 H new ATOM 0 HD1 PHE A 8 -6.021 -5.179 -14.431 1.00 21.12 H new ATOM 0 HD2 PHE A 8 -9.883 -6.769 -13.590 1.00 5.31 H new ATOM 0 HE1 PHE A 8 -6.312 -5.725 -16.808 1.00 45.11 H new ATOM 0 HE2 PHE A 8 -10.177 -7.316 -15.966 1.00 24.23 H new ATOM 0 HZ PHE A 8 -8.392 -6.792 -17.581 1.00 0.14 H new ATOM 147 N GLN A 9 -5.159 -6.850 -13.050 1.00 43.14 N ATOM 148 CA GLN A 9 -4.198 -7.501 -13.932 1.00 64.25 C ATOM 149 C GLN A 9 -3.791 -8.864 -13.383 1.00 21.43 C ATOM 150 O GLN A 9 -4.163 -9.902 -13.931 1.00 50.22 O ATOM 151 CB GLN A 9 -2.960 -6.620 -14.112 1.00 22.51 C ATOM 152 CG GLN A 9 -3.192 -5.422 -15.019 1.00 23.55 C ATOM 153 CD GLN A 9 -3.555 -4.169 -14.248 1.00 0.25 C ATOM 154 OE1 GLN A 9 -2.900 -3.818 -13.266 1.00 21.35 O ATOM 155 NE2 GLN A 9 -4.604 -3.485 -14.689 1.00 50.13 N ATOM 0 H GLN A 9 -4.997 -5.852 -12.913 1.00 43.14 H new ATOM 0 HA GLN A 9 -4.675 -7.648 -14.901 1.00 64.25 H new ATOM 0 HB2 GLN A 9 -2.630 -6.267 -13.135 1.00 22.51 H new ATOM 0 HB3 GLN A 9 -2.151 -7.224 -14.522 1.00 22.51 H new ATOM 0 HG2 GLN A 9 -2.292 -5.235 -15.606 1.00 23.55 H new ATOM 0 HG3 GLN A 9 -3.990 -5.654 -15.724 1.00 23.55 H new ATOM 0 HE21 GLN A 9 -5.119 -3.812 -15.507 1.00 50.13 H new ATOM 0 HE22 GLN A 9 -4.895 -2.633 -14.210 1.00 50.13 H new ATOM 164 N ARG A 10 -3.025 -8.854 -12.297 1.00 21.42 N ATOM 165 CA ARG A 10 -2.566 -10.090 -11.674 1.00 32.21 C ATOM 166 C ARG A 10 -3.725 -11.063 -11.479 1.00 32.41 C ATOM 167 O ARG A 10 -3.516 -12.257 -11.267 1.00 22.35 O ATOM 168 CB ARG A 10 -1.904 -9.793 -10.327 1.00 51.53 C ATOM 169 CG ARG A 10 -2.842 -9.157 -9.315 1.00 14.43 C ATOM 170 CD ARG A 10 -3.522 -10.206 -8.449 1.00 71.22 C ATOM 171 NE ARG A 10 -2.731 -10.537 -7.267 1.00 64.24 N ATOM 172 CZ ARG A 10 -2.734 -9.813 -6.154 1.00 40.40 C ATOM 173 NH1 ARG A 10 -3.484 -8.722 -6.071 1.00 63.30 N ATOM 174 NH2 ARG A 10 -1.987 -10.179 -5.120 1.00 44.45 N ATOM 0 H ARG A 10 -2.709 -8.004 -11.830 1.00 21.42 H new ATOM 0 HA ARG A 10 -1.834 -10.551 -12.337 1.00 32.21 H new ATOM 0 HB2 ARG A 10 -1.511 -10.721 -9.912 1.00 51.53 H new ATOM 0 HB3 ARG A 10 -1.053 -9.131 -10.488 1.00 51.53 H new ATOM 0 HG2 ARG A 10 -2.283 -8.468 -8.682 1.00 14.43 H new ATOM 0 HG3 ARG A 10 -3.597 -8.569 -9.837 1.00 14.43 H new ATOM 0 HD2 ARG A 10 -4.501 -9.841 -8.139 1.00 71.22 H new ATOM 0 HD3 ARG A 10 -3.690 -11.108 -9.037 1.00 71.22 H new ATOM 0 HE ARG A 10 -2.144 -11.370 -7.298 1.00 64.24 H new ATOM 0 HH11 ARG A 10 -4.060 -8.438 -6.863 1.00 63.30 H new ATOM 0 HH12 ARG A 10 -3.485 -8.167 -5.215 1.00 63.30 H new ATOM 0 HH21 ARG A 10 -1.409 -11.018 -5.180 1.00 44.45 H new ATOM 0 HH22 ARG A 10 -1.990 -9.622 -4.266 1.00 44.45 H new ATOM 188 N GLN A 11 -4.946 -10.544 -11.552 1.00 53.41 N ATOM 189 CA GLN A 11 -6.138 -11.367 -11.382 1.00 42.22 C ATOM 190 C GLN A 11 -6.403 -12.205 -12.629 1.00 1.43 C ATOM 191 O GLN A 11 -6.229 -13.424 -12.618 1.00 54.23 O ATOM 192 CB GLN A 11 -7.352 -10.487 -11.077 1.00 24.43 C ATOM 193 CG GLN A 11 -8.367 -11.150 -10.160 1.00 11.44 C ATOM 194 CD GLN A 11 -9.695 -10.419 -10.135 1.00 51.30 C ATOM 195 OE1 GLN A 11 -10.699 -10.913 -10.650 1.00 25.14 O ATOM 196 NE2 GLN A 11 -9.708 -9.234 -9.535 1.00 32.21 N ATOM 0 H GLN A 11 -5.136 -9.557 -11.728 1.00 53.41 H new ATOM 0 HA GLN A 11 -5.967 -12.041 -10.543 1.00 42.22 H new ATOM 0 HB2 GLN A 11 -7.012 -9.559 -10.618 1.00 24.43 H new ATOM 0 HB3 GLN A 11 -7.841 -10.219 -12.014 1.00 24.43 H new ATOM 0 HG2 GLN A 11 -8.528 -12.178 -10.485 1.00 11.44 H new ATOM 0 HG3 GLN A 11 -7.962 -11.196 -9.149 1.00 11.44 H new ATOM 0 HE21 GLN A 11 -8.853 -8.862 -9.121 1.00 32.21 H new ATOM 0 HE22 GLN A 11 -10.573 -8.696 -9.488 1.00 32.21 H new ATOM 205 N HIS A 12 -6.825 -11.543 -13.702 1.00 23.12 N ATOM 206 CA HIS A 12 -7.114 -12.227 -14.957 1.00 64.41 C ATOM 207 C HIS A 12 -5.933 -12.122 -15.918 1.00 11.42 C ATOM 208 O HIS A 12 -5.263 -13.113 -16.204 1.00 25.15 O ATOM 209 CB HIS A 12 -8.368 -11.641 -15.605 1.00 41.53 C ATOM 210 CG HIS A 12 -9.398 -11.190 -14.616 1.00 53.22 C ATOM 211 ND1 HIS A 12 -10.586 -11.859 -14.409 1.00 10.10 N ATOM 212 CD2 HIS A 12 -9.413 -10.131 -13.774 1.00 1.45 C ATOM 213 CE1 HIS A 12 -11.287 -11.230 -13.483 1.00 14.20 C ATOM 214 NE2 HIS A 12 -10.597 -10.178 -13.081 1.00 15.14 N ATOM 0 H HIS A 12 -6.974 -10.534 -13.727 1.00 23.12 H new ATOM 0 HA HIS A 12 -7.287 -13.280 -14.736 1.00 64.41 H new ATOM 0 HB2 HIS A 12 -8.082 -10.795 -16.231 1.00 41.53 H new ATOM 0 HB3 HIS A 12 -8.811 -12.389 -16.263 1.00 41.53 H new ATOM 0 HD2 HIS A 12 -8.638 -9.387 -13.667 1.00 1.45 H new ATOM 0 HE1 HIS A 12 -12.259 -11.526 -13.117 1.00 14.20 H new ATOM 0 HE2 HIS A 12 -10.895 -9.509 -12.371 1.00 15.14 H new ATOM 222 N MET A 13 -5.686 -10.913 -16.413 1.00 60.41 N ATOM 223 CA MET A 13 -4.586 -10.679 -17.341 1.00 51.25 C ATOM 224 C MET A 13 -3.277 -11.226 -16.782 1.00 64.13 C ATOM 225 O MET A 13 -2.938 -10.987 -15.623 1.00 61.30 O ATOM 226 CB MET A 13 -4.445 -9.183 -17.631 1.00 60.21 C ATOM 227 CG MET A 13 -3.428 -8.486 -16.743 1.00 4.41 C ATOM 228 SD MET A 13 -1.735 -8.695 -17.328 1.00 71.30 S ATOM 229 CE MET A 13 -1.781 -7.745 -18.846 1.00 34.23 C ATOM 0 H MET A 13 -6.232 -10.082 -16.187 1.00 60.41 H new ATOM 0 HA MET A 13 -4.810 -11.203 -18.270 1.00 51.25 H new ATOM 0 HB2 MET A 13 -4.157 -9.049 -18.674 1.00 60.21 H new ATOM 0 HB3 MET A 13 -5.416 -8.703 -17.504 1.00 60.21 H new ATOM 0 HG2 MET A 13 -3.663 -7.423 -16.694 1.00 4.41 H new ATOM 0 HG3 MET A 13 -3.509 -8.877 -15.729 1.00 4.41 H new ATOM 0 HE1 MET A 13 -0.769 -7.629 -19.233 1.00 34.23 H new ATOM 0 HE2 MET A 13 -2.394 -8.265 -19.582 1.00 34.23 H new ATOM 0 HE3 MET A 13 -2.208 -6.762 -18.647 1.00 34.23 H new ATOM 239 N ASP A 14 -2.545 -11.961 -17.613 1.00 11.31 N ATOM 240 CA ASP A 14 -1.272 -12.541 -17.201 1.00 72.23 C ATOM 241 C ASP A 14 -0.399 -12.851 -18.413 1.00 42.42 C ATOM 242 O ASP A 14 -0.609 -13.848 -19.104 1.00 11.50 O ATOM 243 CB ASP A 14 -1.508 -13.815 -16.388 1.00 65.01 C ATOM 244 CG ASP A 14 -0.212 -14.462 -15.937 1.00 55.43 C ATOM 245 OD1 ASP A 14 0.734 -13.721 -15.597 1.00 50.12 O ATOM 246 OD2 ASP A 14 -0.146 -15.708 -15.924 1.00 24.42 O ATOM 0 H ASP A 14 -2.812 -12.169 -18.575 1.00 11.31 H new ATOM 0 HA ASP A 14 -0.753 -11.812 -16.578 1.00 72.23 H new ATOM 0 HB2 ASP A 14 -2.116 -13.578 -15.515 1.00 65.01 H new ATOM 0 HB3 ASP A 14 -2.076 -14.526 -16.988 1.00 65.01 H new ATOM 251 N SER A 15 0.581 -11.989 -18.666 1.00 10.43 N ATOM 252 CA SER A 15 1.483 -12.167 -19.797 1.00 63.12 C ATOM 253 C SER A 15 2.630 -13.106 -19.435 1.00 2.33 C ATOM 254 O SER A 15 3.040 -13.942 -20.239 1.00 64.25 O ATOM 255 CB SER A 15 2.039 -10.816 -20.251 1.00 62.14 C ATOM 256 OG SER A 15 2.621 -10.113 -19.167 1.00 72.30 O ATOM 0 H SER A 15 0.770 -11.160 -18.102 1.00 10.43 H new ATOM 0 HA SER A 15 0.916 -12.612 -20.615 1.00 63.12 H new ATOM 0 HB2 SER A 15 2.785 -10.970 -21.031 1.00 62.14 H new ATOM 0 HB3 SER A 15 1.239 -10.219 -20.688 1.00 62.14 H new ATOM 0 HG SER A 15 2.970 -9.254 -19.484 1.00 72.30 H new ATOM 262 N ASP A 16 3.143 -12.960 -18.218 1.00 20.21 N ATOM 263 CA ASP A 16 4.242 -13.795 -17.747 1.00 1.24 C ATOM 264 C ASP A 16 4.138 -15.205 -18.319 1.00 35.13 C ATOM 265 O ASP A 16 5.077 -15.707 -18.935 1.00 44.12 O ATOM 266 CB ASP A 16 4.249 -13.850 -16.218 1.00 64.31 C ATOM 267 CG ASP A 16 4.552 -12.503 -15.591 1.00 73.53 C ATOM 268 OD1 ASP A 16 5.746 -12.164 -15.464 1.00 3.33 O ATOM 269 OD2 ASP A 16 3.594 -11.789 -15.227 1.00 75.55 O ATOM 0 H ASP A 16 2.816 -12.272 -17.540 1.00 20.21 H new ATOM 0 HA ASP A 16 5.176 -13.352 -18.091 1.00 1.24 H new ATOM 0 HB2 ASP A 16 3.279 -14.201 -15.866 1.00 64.31 H new ATOM 0 HB3 ASP A 16 4.991 -14.577 -15.887 1.00 64.31 H new ATOM 274 N SER A 17 2.988 -15.840 -18.109 1.00 45.41 N ATOM 275 CA SER A 17 2.763 -17.194 -18.600 1.00 33.24 C ATOM 276 C SER A 17 3.029 -17.280 -20.099 1.00 70.34 C ATOM 277 O SER A 17 3.247 -16.266 -20.762 1.00 0.24 O ATOM 278 CB SER A 17 1.329 -17.636 -18.298 1.00 64.14 C ATOM 279 OG SER A 17 1.171 -17.952 -16.926 1.00 52.20 O ATOM 0 H SER A 17 2.199 -15.438 -17.603 1.00 45.41 H new ATOM 0 HA SER A 17 3.457 -17.860 -18.088 1.00 33.24 H new ATOM 0 HB2 SER A 17 0.635 -16.842 -18.574 1.00 64.14 H new ATOM 0 HB3 SER A 17 1.077 -18.505 -18.906 1.00 64.14 H new ATOM 0 HG SER A 17 0.430 -18.585 -16.819 1.00 52.20 H new ATOM 285 N SER A 18 3.009 -18.499 -20.628 1.00 64.54 N ATOM 286 CA SER A 18 3.252 -18.720 -22.049 1.00 63.22 C ATOM 287 C SER A 18 2.103 -19.499 -22.682 1.00 40.33 C ATOM 288 O SER A 18 1.304 -20.141 -22.000 1.00 42.31 O ATOM 289 CB SER A 18 4.567 -19.475 -22.252 1.00 65.12 C ATOM 290 OG SER A 18 5.652 -18.577 -22.407 1.00 44.25 O ATOM 0 H SER A 18 2.827 -19.349 -20.094 1.00 64.54 H new ATOM 0 HA SER A 18 3.321 -17.747 -22.536 1.00 63.22 H new ATOM 0 HB2 SER A 18 4.750 -20.128 -21.399 1.00 65.12 H new ATOM 0 HB3 SER A 18 4.491 -20.114 -23.132 1.00 65.12 H new ATOM 0 HG SER A 18 6.481 -19.084 -22.533 1.00 44.25 H new ATOM 296 N PRO A 19 2.016 -19.441 -24.020 1.00 25.24 N ATOM 297 CA PRO A 19 0.969 -20.135 -24.776 1.00 5.14 C ATOM 298 C PRO A 19 1.146 -21.649 -24.754 1.00 73.32 C ATOM 299 O PRO A 19 2.035 -22.171 -24.082 1.00 3.20 O ATOM 300 CB PRO A 19 1.143 -19.596 -26.198 1.00 21.41 C ATOM 301 CG PRO A 19 2.571 -19.179 -26.273 1.00 62.12 C ATOM 302 CD PRO A 19 2.934 -18.695 -24.897 1.00 24.24 C ATOM 0 HA PRO A 19 -0.022 -19.959 -24.357 1.00 5.14 H new ATOM 0 HB2 PRO A 19 0.914 -20.359 -26.942 1.00 21.41 H new ATOM 0 HB3 PRO A 19 0.475 -18.756 -26.387 1.00 21.41 H new ATOM 0 HG2 PRO A 19 3.206 -20.013 -26.573 1.00 62.12 H new ATOM 0 HG3 PRO A 19 2.709 -18.391 -27.013 1.00 62.12 H new ATOM 0 HD2 PRO A 19 3.977 -18.905 -24.659 1.00 24.24 H new ATOM 0 HD3 PRO A 19 2.796 -17.618 -24.800 1.00 24.24 H new ATOM 310 N SER A 20 0.293 -22.350 -25.494 1.00 73.34 N ATOM 311 CA SER A 20 0.352 -23.806 -25.557 1.00 45.14 C ATOM 312 C SER A 20 0.111 -24.420 -24.182 1.00 3.44 C ATOM 313 O SER A 20 0.856 -25.295 -23.741 1.00 70.31 O ATOM 314 CB SER A 20 1.709 -24.259 -26.100 1.00 5.24 C ATOM 315 OG SER A 20 1.743 -25.664 -26.282 1.00 53.31 O ATOM 0 H SER A 20 -0.447 -21.933 -26.058 1.00 73.34 H new ATOM 0 HA SER A 20 -0.434 -24.148 -26.231 1.00 45.14 H new ATOM 0 HB2 SER A 20 1.909 -23.761 -27.049 1.00 5.24 H new ATOM 0 HB3 SER A 20 2.498 -23.959 -25.411 1.00 5.24 H new ATOM 0 HG SER A 20 1.461 -26.108 -25.455 1.00 53.31 H new ATOM 321 N SER A 21 -0.935 -23.953 -23.508 1.00 20.04 N ATOM 322 CA SER A 21 -1.273 -24.452 -22.180 1.00 34.21 C ATOM 323 C SER A 21 -2.542 -25.298 -22.225 1.00 32.32 C ATOM 324 O SER A 21 -3.644 -24.776 -22.391 1.00 53.13 O ATOM 325 CB SER A 21 -1.458 -23.287 -21.206 1.00 21.24 C ATOM 326 OG SER A 21 -0.352 -22.402 -21.254 1.00 33.12 O ATOM 0 H SER A 21 -1.563 -23.230 -23.859 1.00 20.04 H new ATOM 0 HA SER A 21 -0.451 -25.078 -21.834 1.00 34.21 H new ATOM 0 HB2 SER A 21 -2.372 -22.746 -21.451 1.00 21.24 H new ATOM 0 HB3 SER A 21 -1.577 -23.671 -20.193 1.00 21.24 H new ATOM 0 HG SER A 21 -0.106 -22.136 -20.343 1.00 33.12 H new ATOM 332 N SER A 22 -2.378 -26.609 -22.075 1.00 43.32 N ATOM 333 CA SER A 22 -3.508 -27.529 -22.102 1.00 74.12 C ATOM 334 C SER A 22 -3.645 -28.261 -20.771 1.00 21.24 C ATOM 335 O SER A 22 -4.754 -28.503 -20.293 1.00 45.51 O ATOM 336 CB SER A 22 -3.343 -28.540 -23.238 1.00 72.24 C ATOM 337 OG SER A 22 -4.539 -29.272 -23.448 1.00 5.12 O ATOM 0 H SER A 22 -1.473 -27.057 -21.934 1.00 43.32 H new ATOM 0 HA SER A 22 -4.414 -26.947 -22.272 1.00 74.12 H new ATOM 0 HB2 SER A 22 -3.066 -28.019 -24.155 1.00 72.24 H new ATOM 0 HB3 SER A 22 -2.530 -29.226 -23.003 1.00 72.24 H new ATOM 0 HG SER A 22 -4.408 -29.910 -24.180 1.00 5.12 H new ATOM 343 N SER A 23 -2.509 -28.612 -20.176 1.00 60.02 N ATOM 344 CA SER A 23 -2.500 -29.320 -18.901 1.00 72.05 C ATOM 345 C SER A 23 -3.214 -28.509 -17.824 1.00 51.35 C ATOM 346 O SER A 23 -3.866 -27.505 -18.115 1.00 71.35 O ATOM 347 CB SER A 23 -1.063 -29.613 -18.467 1.00 20.04 C ATOM 348 OG SER A 23 -0.337 -30.252 -19.502 1.00 60.03 O ATOM 0 H SER A 23 -1.583 -28.418 -20.557 1.00 60.02 H new ATOM 0 HA SER A 23 -3.031 -30.263 -19.033 1.00 72.05 H new ATOM 0 HB2 SER A 23 -0.566 -28.683 -18.191 1.00 20.04 H new ATOM 0 HB3 SER A 23 -1.070 -30.246 -17.579 1.00 20.04 H new ATOM 0 HG SER A 23 0.579 -30.427 -19.200 1.00 60.03 H new ATOM 354 N THR A 24 -3.086 -28.951 -16.577 1.00 52.32 N ATOM 355 CA THR A 24 -3.719 -28.268 -15.456 1.00 20.03 C ATOM 356 C THR A 24 -3.188 -26.847 -15.306 1.00 63.14 C ATOM 357 O THR A 24 -3.443 -26.181 -14.303 1.00 52.42 O ATOM 358 CB THR A 24 -3.494 -29.029 -14.136 1.00 35.34 C ATOM 359 OG1 THR A 24 -2.276 -29.779 -14.203 1.00 52.33 O ATOM 360 CG2 THR A 24 -4.657 -29.967 -13.847 1.00 52.21 C ATOM 0 H THR A 24 -2.550 -29.779 -16.318 1.00 52.32 H new ATOM 0 HA THR A 24 -4.787 -28.233 -15.670 1.00 20.03 H new ATOM 0 HB THR A 24 -3.427 -28.299 -13.329 1.00 35.34 H new ATOM 0 HG1 THR A 24 -2.140 -30.258 -13.359 1.00 52.33 H new ATOM 0 HG21 THR A 24 -4.476 -30.493 -12.910 1.00 52.21 H new ATOM 0 HG22 THR A 24 -5.578 -29.390 -13.767 1.00 52.21 H new ATOM 0 HG23 THR A 24 -4.751 -30.690 -14.657 1.00 52.21 H new ATOM 368 N TYR A 25 -2.448 -26.389 -16.310 1.00 52.41 N ATOM 369 CA TYR A 25 -1.879 -25.046 -16.289 1.00 73.32 C ATOM 370 C TYR A 25 -2.788 -24.081 -15.534 1.00 70.02 C ATOM 371 O TYR A 25 -2.339 -23.347 -14.653 1.00 50.14 O ATOM 372 CB TYR A 25 -1.655 -24.543 -17.716 1.00 3.41 C ATOM 373 CG TYR A 25 -1.469 -23.045 -17.807 1.00 41.21 C ATOM 374 CD1 TYR A 25 -2.546 -22.181 -17.653 1.00 53.11 C ATOM 375 CD2 TYR A 25 -0.217 -22.493 -18.048 1.00 64.51 C ATOM 376 CE1 TYR A 25 -2.382 -20.812 -17.736 1.00 44.23 C ATOM 377 CE2 TYR A 25 -0.042 -21.126 -18.131 1.00 53.33 C ATOM 378 CZ TYR A 25 -1.128 -20.289 -17.975 1.00 23.00 C ATOM 379 OH TYR A 25 -0.958 -18.926 -18.059 1.00 15.04 O ATOM 0 H TYR A 25 -2.228 -26.927 -17.148 1.00 52.41 H new ATOM 0 HA TYR A 25 -0.920 -25.092 -15.772 1.00 73.32 H new ATOM 0 HB2 TYR A 25 -0.777 -25.036 -18.132 1.00 3.41 H new ATOM 0 HB3 TYR A 25 -2.506 -24.833 -18.333 1.00 3.41 H new ATOM 0 HD1 TYR A 25 -3.529 -22.587 -17.465 1.00 53.11 H new ATOM 0 HD2 TYR A 25 0.635 -23.145 -18.173 1.00 64.51 H new ATOM 0 HE1 TYR A 25 -3.230 -20.155 -17.615 1.00 44.23 H new ATOM 0 HE2 TYR A 25 0.939 -20.714 -18.317 1.00 53.33 H new ATOM 0 HH TYR A 25 -1.392 -18.494 -17.294 1.00 15.04 H new ATOM 389 N CYS A 26 -4.070 -24.088 -15.885 1.00 64.25 N ATOM 390 CA CYS A 26 -5.044 -23.215 -15.243 1.00 10.22 C ATOM 391 C CYS A 26 -5.299 -23.651 -13.803 1.00 73.10 C ATOM 392 O CYS A 26 -5.092 -22.883 -12.865 1.00 11.21 O ATOM 393 CB CYS A 26 -6.357 -23.216 -16.028 1.00 51.11 C ATOM 394 SG CYS A 26 -6.283 -22.300 -17.601 1.00 15.20 S ATOM 0 H CYS A 26 -4.458 -24.690 -16.612 1.00 64.25 H new ATOM 0 HA CYS A 26 -4.637 -22.204 -15.231 1.00 10.22 H new ATOM 0 HB2 CYS A 26 -6.644 -24.247 -16.233 1.00 51.11 H new ATOM 0 HB3 CYS A 26 -7.141 -22.785 -15.405 1.00 51.11 H new ATOM 399 N ASN A 27 -5.750 -24.890 -13.637 1.00 74.33 N ATOM 400 CA ASN A 27 -6.034 -25.429 -12.312 1.00 74.53 C ATOM 401 C ASN A 27 -5.092 -24.836 -11.270 1.00 2.21 C ATOM 402 O ASN A 27 -5.529 -24.371 -10.218 1.00 2.14 O ATOM 403 CB ASN A 27 -5.908 -26.954 -12.321 1.00 64.23 C ATOM 404 CG ASN A 27 -5.999 -27.550 -10.930 1.00 21.21 C ATOM 405 OD1 ASN A 27 -5.833 -26.850 -9.931 1.00 33.43 O ATOM 406 ND2 ASN A 27 -6.263 -28.850 -10.859 1.00 54.32 N ATOM 0 H ASN A 27 -5.927 -25.540 -14.403 1.00 74.33 H new ATOM 0 HA ASN A 27 -7.056 -25.157 -12.048 1.00 74.53 H new ATOM 0 HB2 ASN A 27 -6.694 -27.377 -12.947 1.00 64.23 H new ATOM 0 HB3 ASN A 27 -4.956 -27.234 -12.772 1.00 64.23 H new ATOM 0 HD21 ASN A 27 -6.335 -29.307 -9.950 1.00 54.32 H new ATOM 0 HD22 ASN A 27 -6.393 -29.391 -11.714 1.00 54.32 H new ATOM 413 N GLN A 28 -3.797 -24.855 -11.571 1.00 74.13 N ATOM 414 CA GLN A 28 -2.793 -24.319 -10.660 1.00 54.31 C ATOM 415 C GLN A 28 -2.629 -22.815 -10.856 1.00 24.24 C ATOM 416 O GLN A 28 -2.822 -22.034 -9.925 1.00 12.31 O ATOM 417 CB GLN A 28 -1.452 -25.023 -10.874 1.00 13.33 C ATOM 418 CG GLN A 28 -1.368 -26.386 -10.207 1.00 21.31 C ATOM 419 CD GLN A 28 -0.406 -27.322 -10.911 1.00 45.05 C ATOM 420 OE1 GLN A 28 0.741 -27.484 -10.492 1.00 14.35 O ATOM 421 NE2 GLN A 28 -0.867 -27.945 -11.990 1.00 14.35 N ATOM 0 H GLN A 28 -3.419 -25.236 -12.439 1.00 74.13 H new ATOM 0 HA GLN A 28 -3.131 -24.499 -9.639 1.00 54.31 H new ATOM 0 HB2 GLN A 28 -1.279 -25.140 -11.944 1.00 13.33 H new ATOM 0 HB3 GLN A 28 -0.653 -24.389 -10.489 1.00 13.33 H new ATOM 0 HG2 GLN A 28 -1.054 -26.260 -9.171 1.00 21.31 H new ATOM 0 HG3 GLN A 28 -2.360 -26.838 -10.187 1.00 21.31 H new ATOM 0 HE21 GLN A 28 -1.824 -27.782 -12.303 1.00 14.35 H new ATOM 0 HE22 GLN A 28 -0.264 -28.586 -12.505 1.00 14.35 H new ATOM 430 N MET A 29 -2.270 -22.417 -12.072 1.00 24.51 N ATOM 431 CA MET A 29 -2.080 -21.007 -12.389 1.00 43.21 C ATOM 432 C MET A 29 -3.023 -20.133 -11.568 1.00 70.24 C ATOM 433 O MET A 29 -2.582 -19.302 -10.776 1.00 4.41 O ATOM 434 CB MET A 29 -2.309 -20.762 -13.882 1.00 24.51 C ATOM 435 CG MET A 29 -1.100 -21.091 -14.744 1.00 14.12 C ATOM 436 SD MET A 29 -0.024 -19.668 -15.002 1.00 4.24 S ATOM 437 CE MET A 29 1.027 -19.772 -13.555 1.00 24.10 C ATOM 0 H MET A 29 -2.105 -23.051 -12.854 1.00 24.51 H new ATOM 0 HA MET A 29 -1.054 -20.739 -12.138 1.00 43.21 H new ATOM 0 HB2 MET A 29 -3.156 -21.362 -14.215 1.00 24.51 H new ATOM 0 HB3 MET A 29 -2.579 -19.717 -14.033 1.00 24.51 H new ATOM 0 HG2 MET A 29 -0.530 -21.892 -14.273 1.00 14.12 H new ATOM 0 HG3 MET A 29 -1.438 -21.466 -15.710 1.00 14.12 H new ATOM 0 HE1 MET A 29 2.010 -19.364 -13.789 1.00 24.10 H new ATOM 0 HE2 MET A 29 0.582 -19.201 -12.740 1.00 24.10 H new ATOM 0 HE3 MET A 29 1.129 -20.815 -13.254 1.00 24.10 H new ATOM 447 N MET A 30 -4.323 -20.328 -11.764 1.00 51.42 N ATOM 448 CA MET A 30 -5.328 -19.557 -11.041 1.00 30.21 C ATOM 449 C MET A 30 -5.080 -19.617 -9.537 1.00 11.21 C ATOM 450 O MET A 30 -5.213 -18.613 -8.836 1.00 62.14 O ATOM 451 CB MET A 30 -6.730 -20.081 -11.360 1.00 2.34 C ATOM 452 CG MET A 30 -7.420 -19.325 -12.484 1.00 2.15 C ATOM 453 SD MET A 30 -8.414 -17.945 -11.885 1.00 2.14 S ATOM 454 CE MET A 30 -7.213 -16.616 -11.934 1.00 74.45 C ATOM 0 H MET A 30 -4.705 -21.013 -12.417 1.00 51.42 H new ATOM 0 HA MET A 30 -5.254 -18.518 -11.363 1.00 30.21 H new ATOM 0 HB2 MET A 30 -6.662 -21.135 -11.630 1.00 2.34 H new ATOM 0 HB3 MET A 30 -7.345 -20.021 -10.462 1.00 2.34 H new ATOM 0 HG2 MET A 30 -6.669 -18.952 -13.180 1.00 2.15 H new ATOM 0 HG3 MET A 30 -8.057 -20.012 -13.041 1.00 2.15 H new ATOM 0 HE1 MET A 30 -7.729 -15.657 -11.888 1.00 74.45 H new ATOM 0 HE2 MET A 30 -6.537 -16.705 -11.084 1.00 74.45 H new ATOM 0 HE3 MET A 30 -6.641 -16.676 -12.860 1.00 74.45 H new ATOM 464 N ARG A 31 -4.720 -20.799 -9.047 1.00 51.34 N ATOM 465 CA ARG A 31 -4.455 -20.989 -7.626 1.00 54.44 C ATOM 466 C ARG A 31 -3.240 -20.177 -7.186 1.00 73.15 C ATOM 467 O ARG A 31 -3.293 -19.451 -6.194 1.00 40.50 O ATOM 468 CB ARG A 31 -4.230 -22.471 -7.321 1.00 42.44 C ATOM 469 CG ARG A 31 -3.383 -22.716 -6.083 1.00 42.44 C ATOM 470 CD ARG A 31 -3.031 -24.187 -5.932 1.00 24.14 C ATOM 471 NE ARG A 31 -2.589 -24.507 -4.577 1.00 20.41 N ATOM 472 CZ ARG A 31 -3.420 -24.796 -3.582 1.00 14.32 C ATOM 473 NH1 ARG A 31 -4.730 -24.804 -3.789 1.00 61.41 N ATOM 474 NH2 ARG A 31 -2.942 -25.077 -2.376 1.00 51.24 N ATOM 0 H ARG A 31 -4.605 -21.639 -9.613 1.00 51.34 H new ATOM 0 HA ARG A 31 -5.325 -20.639 -7.070 1.00 54.44 H new ATOM 0 HB2 ARG A 31 -5.197 -22.957 -7.192 1.00 42.44 H new ATOM 0 HB3 ARG A 31 -3.749 -22.941 -8.179 1.00 42.44 H new ATOM 0 HG2 ARG A 31 -2.468 -22.126 -6.144 1.00 42.44 H new ATOM 0 HG3 ARG A 31 -3.923 -22.377 -5.199 1.00 42.44 H new ATOM 0 HD2 ARG A 31 -3.900 -24.795 -6.183 1.00 24.14 H new ATOM 0 HD3 ARG A 31 -2.245 -24.446 -6.641 1.00 24.14 H new ATOM 0 HE ARG A 31 -1.587 -24.509 -4.384 1.00 20.41 H new ATOM 0 HH11 ARG A 31 -5.101 -24.588 -4.714 1.00 61.41 H new ATOM 0 HH12 ARG A 31 -5.366 -25.026 -3.023 1.00 61.41 H new ATOM 0 HH21 ARG A 31 -1.935 -25.071 -2.212 1.00 51.24 H new ATOM 0 HH22 ARG A 31 -3.581 -25.299 -1.613 1.00 51.24 H new ATOM 488 N ARG A 32 -2.147 -20.307 -7.931 1.00 54.24 N ATOM 489 CA ARG A 32 -0.919 -19.587 -7.617 1.00 61.23 C ATOM 490 C ARG A 32 -1.204 -18.110 -7.362 1.00 33.24 C ATOM 491 O ARG A 32 -0.491 -17.452 -6.604 1.00 62.04 O ATOM 492 CB ARG A 32 0.089 -19.733 -8.759 1.00 53.32 C ATOM 493 CG ARG A 32 1.379 -18.962 -8.535 1.00 1.33 C ATOM 494 CD ARG A 32 2.225 -18.912 -9.797 1.00 64.41 C ATOM 495 NE ARG A 32 2.998 -20.137 -9.987 1.00 34.44 N ATOM 496 CZ ARG A 32 4.120 -20.197 -10.695 1.00 53.41 C ATOM 497 NH1 ARG A 32 4.598 -19.106 -11.278 1.00 2.14 N ATOM 498 NH2 ARG A 32 4.766 -21.349 -10.822 1.00 11.43 N ATOM 0 H ARG A 32 -2.087 -20.904 -8.756 1.00 54.24 H new ATOM 0 HA ARG A 32 -0.496 -20.019 -6.710 1.00 61.23 H new ATOM 0 HB2 ARG A 32 0.325 -20.789 -8.891 1.00 53.32 H new ATOM 0 HB3 ARG A 32 -0.372 -19.391 -9.685 1.00 53.32 H new ATOM 0 HG2 ARG A 32 1.146 -17.947 -8.211 1.00 1.33 H new ATOM 0 HG3 ARG A 32 1.949 -19.430 -7.732 1.00 1.33 H new ATOM 0 HD2 ARG A 32 1.579 -18.754 -10.660 1.00 64.41 H new ATOM 0 HD3 ARG A 32 2.903 -18.060 -9.745 1.00 64.41 H new ATOM 0 HE ARG A 32 2.657 -20.994 -9.552 1.00 34.44 H new ATOM 0 HH11 ARG A 32 4.104 -18.219 -11.183 1.00 2.14 H new ATOM 0 HH12 ARG A 32 5.460 -19.154 -11.821 1.00 2.14 H new ATOM 0 HH21 ARG A 32 4.401 -22.190 -10.376 1.00 11.43 H new ATOM 0 HH22 ARG A 32 5.628 -21.393 -11.366 1.00 11.43 H new ATOM 512 N ARG A 33 -2.251 -17.596 -7.999 1.00 32.13 N ATOM 513 CA ARG A 33 -2.630 -16.197 -7.842 1.00 4.02 C ATOM 514 C ARG A 33 -3.447 -15.994 -6.569 1.00 72.34 C ATOM 515 O ARG A 33 -4.129 -14.983 -6.413 1.00 12.42 O ATOM 516 CB ARG A 33 -3.431 -15.724 -9.056 1.00 44.22 C ATOM 517 CG ARG A 33 -2.846 -16.175 -10.385 1.00 1.33 C ATOM 518 CD ARG A 33 -1.749 -15.234 -10.859 1.00 12.14 C ATOM 519 NE ARG A 33 -1.106 -15.714 -12.079 1.00 3.14 N ATOM 520 CZ ARG A 33 0.127 -15.377 -12.440 1.00 63.44 C ATOM 521 NH1 ARG A 33 0.846 -14.564 -11.679 1.00 43.25 N ATOM 522 NH2 ARG A 33 0.644 -15.855 -13.565 1.00 72.43 N ATOM 0 H ARG A 33 -2.852 -18.128 -8.629 1.00 32.13 H new ATOM 0 HA ARG A 33 -1.717 -15.606 -7.765 1.00 4.02 H new ATOM 0 HB2 ARG A 33 -4.453 -16.095 -8.974 1.00 44.22 H new ATOM 0 HB3 ARG A 33 -3.485 -14.635 -9.043 1.00 44.22 H new ATOM 0 HG2 ARG A 33 -2.443 -17.183 -10.283 1.00 1.33 H new ATOM 0 HG3 ARG A 33 -3.636 -16.221 -11.135 1.00 1.33 H new ATOM 0 HD2 ARG A 33 -2.171 -14.245 -11.037 1.00 12.14 H new ATOM 0 HD3 ARG A 33 -1.001 -15.125 -10.074 1.00 12.14 H new ATOM 0 HE ARG A 33 -1.632 -16.342 -12.687 1.00 3.14 H new ATOM 0 HH11 ARG A 33 0.453 -14.195 -10.813 1.00 43.25 H new ATOM 0 HH12 ARG A 33 1.793 -14.307 -11.959 1.00 43.25 H new ATOM 0 HH21 ARG A 33 0.094 -16.482 -14.153 1.00 72.43 H new ATOM 0 HH22 ARG A 33 1.591 -15.596 -13.842 1.00 72.43 H new ATOM 536 N ASN A 34 -3.373 -16.964 -5.664 1.00 32.41 N ATOM 537 CA ASN A 34 -4.107 -16.893 -4.406 1.00 32.13 C ATOM 538 C ASN A 34 -5.603 -16.732 -4.657 1.00 74.11 C ATOM 539 O ASN A 34 -6.255 -15.877 -4.059 1.00 1.52 O ATOM 540 CB ASN A 34 -3.593 -15.729 -3.557 1.00 12.34 C ATOM 541 CG ASN A 34 -2.442 -16.134 -2.656 1.00 41.35 C ATOM 542 OD1 ASN A 34 -2.328 -17.293 -2.259 1.00 70.44 O ATOM 543 ND2 ASN A 34 -1.581 -15.176 -2.330 1.00 34.41 N ATOM 0 H ASN A 34 -2.812 -17.808 -5.778 1.00 32.41 H new ATOM 0 HA ASN A 34 -3.946 -17.827 -3.867 1.00 32.13 H new ATOM 0 HB2 ASN A 34 -3.270 -14.920 -4.212 1.00 12.34 H new ATOM 0 HB3 ASN A 34 -4.408 -15.340 -2.947 1.00 12.34 H new ATOM 0 HD21 ASN A 34 -0.786 -15.388 -1.727 1.00 34.41 H new ATOM 0 HD22 ASN A 34 -1.715 -14.228 -2.683 1.00 34.41 H new ATOM 550 N MET A 35 -6.141 -17.561 -5.546 1.00 31.11 N ATOM 551 CA MET A 35 -7.561 -17.512 -5.875 1.00 41.31 C ATOM 552 C MET A 35 -8.266 -18.790 -5.433 1.00 72.14 C ATOM 553 O MET A 35 -9.495 -18.867 -5.438 1.00 33.21 O ATOM 554 CB MET A 35 -7.751 -17.304 -7.379 1.00 23.21 C ATOM 555 CG MET A 35 -9.149 -16.844 -7.757 1.00 72.22 C ATOM 556 SD MET A 35 -9.674 -15.387 -6.834 1.00 54.13 S ATOM 557 CE MET A 35 -11.114 -16.027 -5.982 1.00 2.33 C ATOM 0 H MET A 35 -5.615 -18.274 -6.051 1.00 31.11 H new ATOM 0 HA MET A 35 -8.003 -16.671 -5.341 1.00 41.31 H new ATOM 0 HB2 MET A 35 -7.028 -16.568 -7.730 1.00 23.21 H new ATOM 0 HB3 MET A 35 -7.532 -18.238 -7.897 1.00 23.21 H new ATOM 0 HG2 MET A 35 -9.179 -16.623 -8.824 1.00 72.22 H new ATOM 0 HG3 MET A 35 -9.855 -17.656 -7.580 1.00 72.22 H new ATOM 0 HE1 MET A 35 -11.720 -15.197 -5.617 1.00 2.33 H new ATOM 0 HE2 MET A 35 -11.705 -16.632 -6.670 1.00 2.33 H new ATOM 0 HE3 MET A 35 -10.795 -16.641 -5.140 1.00 2.33 H new ATOM 567 N THR A 36 -7.481 -19.793 -5.052 1.00 43.31 N ATOM 568 CA THR A 36 -8.030 -21.068 -4.609 1.00 41.02 C ATOM 569 C THR A 36 -7.652 -21.356 -3.161 1.00 21.12 C ATOM 570 O THR A 36 -7.728 -22.497 -2.706 1.00 12.02 O ATOM 571 CB THR A 36 -7.541 -22.229 -5.496 1.00 41.51 C ATOM 572 OG1 THR A 36 -6.172 -22.527 -5.201 1.00 61.33 O ATOM 573 CG2 THR A 36 -7.683 -21.880 -6.970 1.00 72.31 C ATOM 0 H THR A 36 -6.462 -19.746 -5.041 1.00 43.31 H new ATOM 0 HA THR A 36 -9.114 -20.990 -4.690 1.00 41.02 H new ATOM 0 HB THR A 36 -8.157 -23.103 -5.285 1.00 41.51 H new ATOM 0 HG1 THR A 36 -5.736 -21.731 -4.832 1.00 61.33 H new ATOM 0 HG21 THR A 36 -7.332 -22.714 -7.577 1.00 72.31 H new ATOM 0 HG22 THR A 36 -8.730 -21.681 -7.198 1.00 72.31 H new ATOM 0 HG23 THR A 36 -7.089 -20.994 -7.193 1.00 72.31 H new ATOM 581 N GLN A 37 -7.245 -20.315 -2.442 1.00 0.11 N ATOM 582 CA GLN A 37 -6.855 -20.458 -1.044 1.00 52.22 C ATOM 583 C GLN A 37 -7.951 -21.151 -0.241 1.00 54.44 C ATOM 584 O GLN A 37 -7.743 -22.231 0.309 1.00 10.23 O ATOM 585 CB GLN A 37 -6.549 -19.088 -0.436 1.00 30.35 C ATOM 586 CG GLN A 37 -5.082 -18.699 -0.520 1.00 60.11 C ATOM 587 CD GLN A 37 -4.213 -19.487 0.440 1.00 62.53 C ATOM 588 OE1 GLN A 37 -4.208 -19.232 1.644 1.00 34.03 O ATOM 589 NE2 GLN A 37 -3.471 -20.453 -0.090 1.00 5.21 N ATOM 0 H GLN A 37 -7.177 -19.364 -2.804 1.00 0.11 H new ATOM 0 HA GLN A 37 -5.957 -21.074 -1.004 1.00 52.22 H new ATOM 0 HB2 GLN A 37 -7.146 -18.332 -0.946 1.00 30.35 H new ATOM 0 HB3 GLN A 37 -6.857 -19.087 0.609 1.00 30.35 H new ATOM 0 HG2 GLN A 37 -4.726 -18.856 -1.538 1.00 60.11 H new ATOM 0 HG3 GLN A 37 -4.980 -17.635 -0.307 1.00 60.11 H new ATOM 0 HE21 GLN A 37 -3.506 -20.630 -1.094 1.00 5.21 H new ATOM 0 HE22 GLN A 37 -2.866 -21.017 0.507 1.00 5.21 H new ATOM 598 N GLY A 38 -9.121 -20.521 -0.179 1.00 43.32 N ATOM 599 CA GLY A 38 -10.232 -21.091 0.559 1.00 33.20 C ATOM 600 C GLY A 38 -11.439 -21.353 -0.320 1.00 62.24 C ATOM 601 O GLY A 38 -12.169 -22.322 -0.112 1.00 24.52 O ATOM 0 H GLY A 38 -9.318 -19.626 -0.627 1.00 43.32 H new ATOM 0 HA2 GLY A 38 -9.915 -22.025 1.023 1.00 33.20 H new ATOM 0 HA3 GLY A 38 -10.514 -20.414 1.365 1.00 33.20 H new ATOM 605 N ARG A 39 -11.650 -20.487 -1.305 1.00 54.55 N ATOM 606 CA ARG A 39 -12.779 -20.628 -2.218 1.00 3.41 C ATOM 607 C ARG A 39 -12.311 -21.101 -3.591 1.00 75.22 C ATOM 608 O ARG A 39 -11.153 -20.914 -3.963 1.00 42.34 O ATOM 609 CB ARG A 39 -13.523 -19.298 -2.351 1.00 54.04 C ATOM 610 CG ARG A 39 -12.641 -18.081 -2.128 1.00 50.45 C ATOM 611 CD ARG A 39 -13.459 -16.799 -2.089 1.00 31.45 C ATOM 612 NE ARG A 39 -12.642 -15.620 -2.360 1.00 52.33 N ATOM 613 CZ ARG A 39 -12.957 -14.397 -1.947 1.00 42.03 C ATOM 614 NH1 ARG A 39 -14.064 -14.195 -1.247 1.00 53.41 N ATOM 615 NH2 ARG A 39 -12.162 -13.374 -2.234 1.00 54.43 N ATOM 0 H ARG A 39 -11.055 -19.680 -1.492 1.00 54.55 H new ATOM 0 HA ARG A 39 -13.457 -21.376 -1.806 1.00 3.41 H new ATOM 0 HB2 ARG A 39 -13.966 -19.237 -3.345 1.00 54.04 H new ATOM 0 HB3 ARG A 39 -14.344 -19.277 -1.634 1.00 54.04 H new ATOM 0 HG2 ARG A 39 -12.094 -18.193 -1.192 1.00 50.45 H new ATOM 0 HG3 ARG A 39 -11.900 -18.017 -2.925 1.00 50.45 H new ATOM 0 HD2 ARG A 39 -14.263 -16.859 -2.823 1.00 31.45 H new ATOM 0 HD3 ARG A 39 -13.928 -16.698 -1.110 1.00 31.45 H new ATOM 0 HE ARG A 39 -11.782 -15.742 -2.896 1.00 52.33 H new ATOM 0 HH11 ARG A 39 -14.677 -14.979 -1.024 1.00 53.41 H new ATOM 0 HH12 ARG A 39 -14.303 -13.255 -0.931 1.00 53.41 H new ATOM 0 HH21 ARG A 39 -11.309 -13.526 -2.772 1.00 54.43 H new ATOM 0 HH22 ARG A 39 -12.404 -12.435 -1.917 1.00 54.43 H new ATOM 629 N CYS A 40 -13.221 -21.716 -4.340 1.00 24.40 N ATOM 630 CA CYS A 40 -12.903 -22.218 -5.671 1.00 61.24 C ATOM 631 C CYS A 40 -13.392 -21.253 -6.747 1.00 73.35 C ATOM 632 O CYS A 40 -14.560 -20.864 -6.764 1.00 74.30 O ATOM 633 CB CYS A 40 -13.531 -23.597 -5.883 1.00 14.00 C ATOM 634 SG CYS A 40 -12.450 -24.783 -6.744 1.00 43.03 S ATOM 0 H CYS A 40 -14.184 -21.878 -4.047 1.00 24.40 H new ATOM 0 HA CYS A 40 -11.819 -22.304 -5.750 1.00 61.24 H new ATOM 0 HB2 CYS A 40 -13.807 -24.011 -4.913 1.00 14.00 H new ATOM 0 HB3 CYS A 40 -14.452 -23.481 -6.454 1.00 14.00 H new ATOM 639 N LYS A 41 -12.491 -20.871 -7.646 1.00 1.25 N ATOM 640 CA LYS A 41 -12.829 -19.953 -8.727 1.00 31.11 C ATOM 641 C LYS A 41 -13.744 -20.626 -9.745 1.00 42.24 C ATOM 642 O LYS A 41 -13.455 -21.709 -10.255 1.00 41.30 O ATOM 643 CB LYS A 41 -11.557 -19.456 -9.418 1.00 14.32 C ATOM 644 CG LYS A 41 -11.553 -17.960 -9.680 1.00 2.44 C ATOM 645 CD LYS A 41 -12.374 -17.606 -10.908 1.00 12.20 C ATOM 646 CE LYS A 41 -12.934 -16.195 -10.817 1.00 13.35 C ATOM 647 NZ LYS A 41 -14.278 -16.089 -11.449 1.00 35.42 N ATOM 0 H LYS A 41 -11.520 -21.184 -7.647 1.00 1.25 H new ATOM 0 HA LYS A 41 -13.357 -19.102 -8.297 1.00 31.11 H new ATOM 0 HB2 LYS A 41 -10.695 -19.711 -8.801 1.00 14.32 H new ATOM 0 HB3 LYS A 41 -11.438 -19.983 -10.365 1.00 14.32 H new ATOM 0 HG2 LYS A 41 -11.952 -17.437 -8.811 1.00 2.44 H new ATOM 0 HG3 LYS A 41 -10.528 -17.616 -9.816 1.00 2.44 H new ATOM 0 HD2 LYS A 41 -11.754 -17.695 -11.800 1.00 12.20 H new ATOM 0 HD3 LYS A 41 -13.193 -18.317 -11.017 1.00 12.20 H new ATOM 0 HE2 LYS A 41 -13.001 -15.898 -9.770 1.00 13.35 H new ATOM 0 HE3 LYS A 41 -12.249 -15.500 -11.303 1.00 13.35 H new ATOM 0 HZ1 LYS A 41 -14.444 -15.107 -11.750 1.00 35.42 H new ATOM 0 HZ2 LYS A 41 -14.323 -16.717 -12.277 1.00 35.42 H new ATOM 0 HZ3 LYS A 41 -15.007 -16.369 -10.762 1.00 35.42 H new ATOM 661 N PRO A 42 -14.873 -19.970 -10.051 1.00 74.44 N ATOM 662 CA PRO A 42 -15.852 -20.486 -11.013 1.00 70.22 C ATOM 663 C PRO A 42 -15.330 -20.454 -12.445 1.00 64.14 C ATOM 664 O PRO A 42 -15.472 -21.423 -13.191 1.00 31.52 O ATOM 665 CB PRO A 42 -17.040 -19.534 -10.856 1.00 1.31 C ATOM 666 CG PRO A 42 -16.445 -18.268 -10.344 1.00 0.52 C ATOM 667 CD PRO A 42 -15.282 -18.675 -9.482 1.00 61.23 C ATOM 0 HA PRO A 42 -16.098 -21.531 -10.823 1.00 70.22 H new ATOM 0 HB2 PRO A 42 -17.549 -19.376 -11.807 1.00 1.31 H new ATOM 0 HB3 PRO A 42 -17.779 -19.934 -10.161 1.00 1.31 H new ATOM 0 HG2 PRO A 42 -16.118 -17.631 -11.165 1.00 0.52 H new ATOM 0 HG3 PRO A 42 -17.175 -17.698 -9.770 1.00 0.52 H new ATOM 0 HD2 PRO A 42 -14.475 -17.944 -9.525 1.00 61.23 H new ATOM 0 HD3 PRO A 42 -15.571 -18.769 -8.435 1.00 61.23 H new ATOM 675 N VAL A 43 -14.723 -19.333 -12.824 1.00 73.55 N ATOM 676 CA VAL A 43 -14.178 -19.176 -14.167 1.00 42.14 C ATOM 677 C VAL A 43 -13.136 -18.064 -14.210 1.00 41.23 C ATOM 678 O VAL A 43 -13.130 -17.172 -13.363 1.00 22.22 O ATOM 679 CB VAL A 43 -15.286 -18.866 -15.191 1.00 15.54 C ATOM 680 CG1 VAL A 43 -14.752 -18.986 -16.610 1.00 13.53 C ATOM 681 CG2 VAL A 43 -16.478 -19.788 -14.981 1.00 1.32 C ATOM 0 H VAL A 43 -14.597 -18.521 -12.220 1.00 73.55 H new ATOM 0 HA VAL A 43 -13.707 -20.123 -14.430 1.00 42.14 H new ATOM 0 HB VAL A 43 -15.619 -17.839 -15.040 1.00 15.54 H new ATOM 0 HG11 VAL A 43 -15.549 -18.763 -17.319 1.00 13.53 H new ATOM 0 HG12 VAL A 43 -13.933 -18.281 -16.752 1.00 13.53 H new ATOM 0 HG13 VAL A 43 -14.390 -20.000 -16.778 1.00 13.53 H new ATOM 0 HG21 VAL A 43 -17.251 -19.555 -15.713 1.00 1.32 H new ATOM 0 HG22 VAL A 43 -16.163 -20.824 -15.103 1.00 1.32 H new ATOM 0 HG23 VAL A 43 -16.875 -19.646 -13.976 1.00 1.32 H new ATOM 691 N ASN A 44 -12.256 -18.123 -15.204 1.00 64.33 N ATOM 692 CA ASN A 44 -11.208 -17.121 -15.358 1.00 42.43 C ATOM 693 C ASN A 44 -10.660 -17.120 -16.782 1.00 73.34 C ATOM 694 O ASN A 44 -10.750 -18.121 -17.495 1.00 14.30 O ATOM 695 CB ASN A 44 -10.074 -17.381 -14.364 1.00 52.42 C ATOM 696 CG ASN A 44 -8.973 -16.342 -14.459 1.00 21.34 C ATOM 697 OD1 ASN A 44 -7.902 -16.605 -15.006 1.00 71.12 O ATOM 698 ND2 ASN A 44 -9.232 -15.155 -13.923 1.00 40.03 N ATOM 0 H ASN A 44 -12.248 -18.854 -15.915 1.00 64.33 H new ATOM 0 HA ASN A 44 -11.644 -16.143 -15.155 1.00 42.43 H new ATOM 0 HB2 ASN A 44 -10.477 -17.388 -13.351 1.00 52.42 H new ATOM 0 HB3 ASN A 44 -9.654 -18.370 -14.547 1.00 52.42 H new ATOM 0 HD21 ASN A 44 -8.529 -14.417 -13.955 1.00 40.03 H new ATOM 0 HD22 ASN A 44 -10.134 -14.982 -13.480 1.00 40.03 H new ATOM 705 N THR A 45 -10.091 -15.991 -17.192 1.00 13.54 N ATOM 706 CA THR A 45 -9.529 -15.859 -18.530 1.00 15.11 C ATOM 707 C THR A 45 -8.219 -15.081 -18.502 1.00 1.21 C ATOM 708 O THR A 45 -8.211 -13.864 -18.311 1.00 74.54 O ATOM 709 CB THR A 45 -10.511 -15.154 -19.485 1.00 15.04 C ATOM 710 OG1 THR A 45 -11.850 -15.589 -19.220 1.00 22.13 O ATOM 711 CG2 THR A 45 -10.157 -15.442 -20.936 1.00 22.55 C ATOM 0 H THR A 45 -10.007 -15.154 -16.616 1.00 13.54 H new ATOM 0 HA THR A 45 -9.341 -16.869 -18.894 1.00 15.11 H new ATOM 0 HB THR A 45 -10.438 -14.080 -19.317 1.00 15.04 H new ATOM 0 HG1 THR A 45 -12.468 -15.135 -19.830 1.00 22.13 H new ATOM 0 HG21 THR A 45 -10.864 -14.933 -21.591 1.00 22.55 H new ATOM 0 HG22 THR A 45 -9.149 -15.083 -21.143 1.00 22.55 H new ATOM 0 HG23 THR A 45 -10.204 -16.516 -21.116 1.00 22.55 H new ATOM 719 N PHE A 46 -7.111 -15.790 -18.694 1.00 12.53 N ATOM 720 CA PHE A 46 -5.794 -15.165 -18.690 1.00 44.41 C ATOM 721 C PHE A 46 -5.569 -14.362 -19.969 1.00 23.55 C ATOM 722 O PHE A 46 -6.439 -14.301 -20.837 1.00 43.24 O ATOM 723 CB PHE A 46 -4.702 -16.227 -18.543 1.00 14.05 C ATOM 724 CG PHE A 46 -4.364 -16.544 -17.114 1.00 20.30 C ATOM 725 CD1 PHE A 46 -5.268 -16.277 -16.098 1.00 63.13 C ATOM 726 CD2 PHE A 46 -3.142 -17.109 -16.787 1.00 22.32 C ATOM 727 CE1 PHE A 46 -4.960 -16.568 -14.783 1.00 24.23 C ATOM 728 CE2 PHE A 46 -2.828 -17.403 -15.473 1.00 54.12 C ATOM 729 CZ PHE A 46 -3.738 -17.131 -14.470 1.00 2.13 C ATOM 0 H PHE A 46 -7.099 -16.797 -18.854 1.00 12.53 H new ATOM 0 HA PHE A 46 -5.745 -14.484 -17.840 1.00 44.41 H new ATOM 0 HB2 PHE A 46 -5.025 -17.140 -19.043 1.00 14.05 H new ATOM 0 HB3 PHE A 46 -3.802 -15.885 -19.054 1.00 14.05 H new ATOM 0 HD1 PHE A 46 -6.225 -15.836 -16.337 1.00 63.13 H new ATOM 0 HD2 PHE A 46 -2.427 -17.322 -17.567 1.00 22.32 H new ATOM 0 HE1 PHE A 46 -5.674 -16.356 -14.001 1.00 24.23 H new ATOM 0 HE2 PHE A 46 -1.873 -17.845 -15.231 1.00 54.12 H new ATOM 0 HZ PHE A 46 -3.494 -17.358 -13.443 1.00 2.13 H new ATOM 739 N VAL A 47 -4.395 -13.748 -20.076 1.00 23.41 N ATOM 740 CA VAL A 47 -4.054 -12.950 -21.247 1.00 63.13 C ATOM 741 C VAL A 47 -2.545 -12.905 -21.462 1.00 30.23 C ATOM 742 O VAL A 47 -1.797 -12.448 -20.597 1.00 14.04 O ATOM 743 CB VAL A 47 -4.586 -11.510 -21.120 1.00 31.43 C ATOM 744 CG1 VAL A 47 -4.019 -10.631 -22.224 1.00 25.24 C ATOM 745 CG2 VAL A 47 -6.107 -11.501 -21.148 1.00 0.30 C ATOM 0 H VAL A 47 -3.664 -13.788 -19.366 1.00 23.41 H new ATOM 0 HA VAL A 47 -4.526 -13.430 -22.104 1.00 63.13 H new ATOM 0 HB VAL A 47 -4.260 -11.104 -20.163 1.00 31.43 H new ATOM 0 HG11 VAL A 47 -4.406 -9.618 -22.117 1.00 25.24 H new ATOM 0 HG12 VAL A 47 -2.931 -10.613 -22.152 1.00 25.24 H new ATOM 0 HG13 VAL A 47 -4.312 -11.031 -23.195 1.00 25.24 H new ATOM 0 HG21 VAL A 47 -6.467 -10.476 -21.057 1.00 0.30 H new ATOM 0 HG22 VAL A 47 -6.456 -11.926 -22.089 1.00 0.30 H new ATOM 0 HG23 VAL A 47 -6.490 -12.095 -20.318 1.00 0.30 H new ATOM 755 N HIS A 48 -2.103 -13.383 -22.621 1.00 11.40 N ATOM 756 CA HIS A 48 -0.682 -13.396 -22.950 1.00 72.14 C ATOM 757 C HIS A 48 -0.257 -12.071 -23.576 1.00 71.24 C ATOM 758 O HIS A 48 0.790 -11.985 -24.217 1.00 31.10 O ATOM 759 CB HIS A 48 -0.369 -14.548 -23.905 1.00 74.44 C ATOM 760 CG HIS A 48 -0.524 -15.902 -23.282 1.00 53.53 C ATOM 761 ND1 HIS A 48 0.367 -16.413 -22.362 1.00 54.15 N ATOM 762 CD2 HIS A 48 -1.475 -16.850 -23.450 1.00 52.04 C ATOM 763 CE1 HIS A 48 -0.029 -17.618 -21.993 1.00 64.10 C ATOM 764 NE2 HIS A 48 -1.144 -17.907 -22.638 1.00 53.24 N ATOM 0 H HIS A 48 -2.708 -13.766 -23.347 1.00 11.40 H new ATOM 0 HA HIS A 48 -0.122 -13.537 -22.026 1.00 72.14 H new ATOM 0 HB2 HIS A 48 -1.026 -14.479 -24.772 1.00 74.44 H new ATOM 0 HB3 HIS A 48 0.653 -14.440 -24.269 1.00 74.44 H new ATOM 0 HD1 HIS A 48 1.201 -15.936 -22.020 1.00 54.15 H new ATOM 0 HD2 HIS A 48 -2.334 -16.787 -24.101 1.00 52.04 H new ATOM 0 HE1 HIS A 48 0.474 -18.258 -21.284 1.00 64.10 H new ATOM 772 N GLU A 49 -1.077 -11.042 -23.387 1.00 33.33 N ATOM 773 CA GLU A 49 -0.786 -9.723 -23.935 1.00 2.23 C ATOM 774 C GLU A 49 -0.428 -8.739 -22.824 1.00 74.22 C ATOM 775 O GLU A 49 -0.949 -8.806 -21.710 1.00 42.43 O ATOM 776 CB GLU A 49 -1.985 -9.199 -24.728 1.00 61.52 C ATOM 777 CG GLU A 49 -2.176 -7.696 -24.621 1.00 50.13 C ATOM 778 CD GLU A 49 -3.122 -7.306 -23.502 1.00 23.12 C ATOM 779 OE1 GLU A 49 -3.410 -8.164 -22.642 1.00 61.50 O ATOM 780 OE2 GLU A 49 -3.573 -6.142 -23.486 1.00 13.20 O ATOM 0 H GLU A 49 -1.948 -11.097 -22.859 1.00 33.33 H new ATOM 0 HA GLU A 49 0.070 -9.817 -24.604 1.00 2.23 H new ATOM 0 HB2 GLU A 49 -1.861 -9.467 -25.777 1.00 61.52 H new ATOM 0 HB3 GLU A 49 -2.888 -9.697 -24.376 1.00 61.52 H new ATOM 0 HG2 GLU A 49 -1.209 -7.222 -24.456 1.00 50.13 H new ATOM 0 HG3 GLU A 49 -2.561 -7.314 -25.567 1.00 50.13 H new ATOM 787 N PRO A 50 0.482 -7.804 -23.133 1.00 41.01 N ATOM 788 CA PRO A 50 0.930 -6.789 -22.176 1.00 2.55 C ATOM 789 C PRO A 50 -0.157 -5.766 -21.863 1.00 75.40 C ATOM 790 O PRO A 50 -0.792 -5.223 -22.768 1.00 70.44 O ATOM 791 CB PRO A 50 2.104 -6.118 -22.893 1.00 41.32 C ATOM 792 CG PRO A 50 1.836 -6.334 -24.343 1.00 14.05 C ATOM 793 CD PRO A 50 1.144 -7.665 -24.441 1.00 72.53 C ATOM 0 HA PRO A 50 1.194 -7.226 -21.213 1.00 2.55 H new ATOM 0 HB2 PRO A 50 2.159 -5.056 -22.654 1.00 41.32 H new ATOM 0 HB3 PRO A 50 3.055 -6.561 -22.596 1.00 41.32 H new ATOM 0 HG2 PRO A 50 1.211 -5.538 -24.747 1.00 14.05 H new ATOM 0 HG3 PRO A 50 2.763 -6.333 -24.916 1.00 14.05 H new ATOM 0 HD2 PRO A 50 0.424 -7.684 -25.259 1.00 72.53 H new ATOM 0 HD3 PRO A 50 1.852 -8.474 -24.621 1.00 72.53 H new ATOM 801 N LEU A 51 -0.368 -5.508 -20.577 1.00 61.01 N ATOM 802 CA LEU A 51 -1.379 -4.550 -20.145 1.00 13.41 C ATOM 803 C LEU A 51 -1.420 -3.343 -21.077 1.00 5.21 C ATOM 804 O LEU A 51 -2.443 -3.060 -21.699 1.00 52.35 O ATOM 805 CB LEU A 51 -1.098 -4.093 -18.712 1.00 52.13 C ATOM 806 CG LEU A 51 -2.245 -3.374 -18.000 1.00 25.42 C ATOM 807 CD1 LEU A 51 -3.428 -4.311 -17.814 1.00 72.02 C ATOM 808 CD2 LEU A 51 -1.779 -2.828 -16.658 1.00 52.40 C ATOM 0 H LEU A 51 0.148 -5.949 -19.815 1.00 61.01 H new ATOM 0 HA LEU A 51 -2.350 -5.044 -20.178 1.00 13.41 H new ATOM 0 HB2 LEU A 51 -0.821 -4.966 -18.121 1.00 52.13 H new ATOM 0 HB3 LEU A 51 -0.233 -3.430 -18.726 1.00 52.13 H new ATOM 0 HG LEU A 51 -2.565 -2.537 -18.620 1.00 25.42 H new ATOM 0 HD11 LEU A 51 -4.234 -3.782 -17.306 1.00 72.02 H new ATOM 0 HD12 LEU A 51 -3.777 -4.655 -18.788 1.00 72.02 H new ATOM 0 HD13 LEU A 51 -3.122 -5.169 -17.215 1.00 72.02 H new ATOM 0 HD21 LEU A 51 -2.607 -2.319 -16.165 1.00 52.40 H new ATOM 0 HD22 LEU A 51 -1.433 -3.650 -16.031 1.00 52.40 H new ATOM 0 HD23 LEU A 51 -0.963 -2.123 -16.816 1.00 52.40 H new ATOM 820 N VAL A 52 -0.298 -2.636 -21.170 1.00 2.42 N ATOM 821 CA VAL A 52 -0.203 -1.461 -22.028 1.00 74.14 C ATOM 822 C VAL A 52 -1.087 -1.610 -23.262 1.00 42.20 C ATOM 823 O VAL A 52 -1.681 -0.640 -23.733 1.00 50.12 O ATOM 824 CB VAL A 52 1.248 -1.209 -22.477 1.00 63.34 C ATOM 825 CG1 VAL A 52 1.593 -2.075 -23.679 1.00 64.15 C ATOM 826 CG2 VAL A 52 1.460 0.264 -22.793 1.00 21.24 C ATOM 0 H VAL A 52 0.558 -2.857 -20.661 1.00 2.42 H new ATOM 0 HA VAL A 52 -0.545 -0.610 -21.439 1.00 74.14 H new ATOM 0 HB VAL A 52 1.915 -1.481 -21.659 1.00 63.34 H new ATOM 0 HG11 VAL A 52 2.622 -1.883 -23.982 1.00 64.15 H new ATOM 0 HG12 VAL A 52 1.483 -3.126 -23.414 1.00 64.15 H new ATOM 0 HG13 VAL A 52 0.921 -1.837 -24.504 1.00 64.15 H new ATOM 0 HG21 VAL A 52 2.491 0.424 -23.109 1.00 21.24 H new ATOM 0 HG22 VAL A 52 0.785 0.565 -23.594 1.00 21.24 H new ATOM 0 HG23 VAL A 52 1.257 0.860 -21.903 1.00 21.24 H new ATOM 836 N ASP A 53 -1.169 -2.830 -23.780 1.00 61.13 N ATOM 837 CA ASP A 53 -1.982 -3.107 -24.959 1.00 64.11 C ATOM 838 C ASP A 53 -3.467 -2.976 -24.638 1.00 31.00 C ATOM 839 O ASP A 53 -4.182 -2.196 -25.266 1.00 54.54 O ATOM 840 CB ASP A 53 -1.684 -4.510 -25.492 1.00 11.51 C ATOM 841 CG ASP A 53 -1.854 -4.606 -26.995 1.00 52.23 C ATOM 842 OD1 ASP A 53 -2.576 -3.761 -27.566 1.00 24.34 O ATOM 843 OD2 ASP A 53 -1.267 -5.526 -27.602 1.00 24.45 O ATOM 0 H ASP A 53 -0.683 -3.643 -23.402 1.00 61.13 H new ATOM 0 HA ASP A 53 -1.729 -2.374 -25.725 1.00 64.11 H new ATOM 0 HB2 ASP A 53 -0.664 -4.787 -25.226 1.00 11.51 H new ATOM 0 HB3 ASP A 53 -2.346 -5.228 -25.008 1.00 11.51 H new ATOM 848 N VAL A 54 -3.925 -3.746 -23.656 1.00 74.01 N ATOM 849 CA VAL A 54 -5.326 -3.716 -23.251 1.00 62.34 C ATOM 850 C VAL A 54 -5.747 -2.312 -22.833 1.00 74.13 C ATOM 851 O VAL A 54 -6.830 -1.848 -23.188 1.00 55.10 O ATOM 852 CB VAL A 54 -5.594 -4.689 -22.088 1.00 15.13 C ATOM 853 CG1 VAL A 54 -6.688 -4.147 -21.180 1.00 53.12 C ATOM 854 CG2 VAL A 54 -5.965 -6.065 -22.619 1.00 24.40 C ATOM 0 H VAL A 54 -3.347 -4.398 -23.126 1.00 74.01 H new ATOM 0 HA VAL A 54 -5.913 -4.025 -24.116 1.00 62.34 H new ATOM 0 HB VAL A 54 -4.681 -4.785 -21.500 1.00 15.13 H new ATOM 0 HG11 VAL A 54 -6.864 -4.848 -20.364 1.00 53.12 H new ATOM 0 HG12 VAL A 54 -6.379 -3.185 -20.772 1.00 53.12 H new ATOM 0 HG13 VAL A 54 -7.606 -4.020 -21.753 1.00 53.12 H new ATOM 0 HG21 VAL A 54 -6.151 -6.740 -21.783 1.00 24.40 H new ATOM 0 HG22 VAL A 54 -6.864 -5.989 -23.231 1.00 24.40 H new ATOM 0 HG23 VAL A 54 -5.146 -6.454 -23.224 1.00 24.40 H new ATOM 864 N GLN A 55 -4.884 -1.641 -22.078 1.00 22.20 N ATOM 865 CA GLN A 55 -5.167 -0.289 -21.612 1.00 33.15 C ATOM 866 C GLN A 55 -5.546 0.620 -22.776 1.00 3.21 C ATOM 867 O GLN A 55 -6.438 1.459 -22.657 1.00 20.35 O ATOM 868 CB GLN A 55 -3.955 0.284 -20.875 1.00 32.52 C ATOM 869 CG GLN A 55 -3.414 -0.633 -19.790 1.00 23.31 C ATOM 870 CD GLN A 55 -2.430 0.066 -18.873 1.00 24.43 C ATOM 871 OE1 GLN A 55 -2.697 1.160 -18.375 1.00 24.54 O ATOM 872 NE2 GLN A 55 -1.283 -0.564 -18.644 1.00 60.13 N ATOM 0 H GLN A 55 -3.983 -2.011 -21.776 1.00 22.20 H new ATOM 0 HA GLN A 55 -6.011 -0.339 -20.924 1.00 33.15 H new ATOM 0 HB2 GLN A 55 -3.163 0.486 -21.597 1.00 32.52 H new ATOM 0 HB3 GLN A 55 -4.230 1.239 -20.428 1.00 32.52 H new ATOM 0 HG2 GLN A 55 -4.244 -1.020 -19.199 1.00 23.31 H new ATOM 0 HG3 GLN A 55 -2.927 -1.490 -20.254 1.00 23.31 H new ATOM 0 HE21 GLN A 55 -1.103 -1.470 -19.078 1.00 60.13 H new ATOM 0 HE22 GLN A 55 -0.582 -0.142 -18.035 1.00 60.13 H new ATOM 881 N ASN A 56 -4.860 0.448 -23.902 1.00 15.13 N ATOM 882 CA ASN A 56 -5.124 1.254 -25.088 1.00 14.51 C ATOM 883 C ASN A 56 -6.566 1.078 -25.556 1.00 63.11 C ATOM 884 O ASN A 56 -7.135 1.962 -26.196 1.00 42.30 O ATOM 885 CB ASN A 56 -4.160 0.874 -26.214 1.00 34.15 C ATOM 886 CG ASN A 56 -2.820 1.572 -26.088 1.00 12.42 C ATOM 887 OD1 ASN A 56 -2.704 2.769 -26.352 1.00 13.22 O ATOM 888 ND2 ASN A 56 -1.800 0.825 -25.683 1.00 44.41 N ATOM 0 H ASN A 56 -4.118 -0.242 -24.017 1.00 15.13 H new ATOM 0 HA ASN A 56 -4.971 2.301 -24.826 1.00 14.51 H new ATOM 0 HB2 ASN A 56 -4.006 -0.205 -26.208 1.00 34.15 H new ATOM 0 HB3 ASN A 56 -4.609 1.127 -27.174 1.00 34.15 H new ATOM 0 HD21 ASN A 56 -0.874 1.239 -25.580 1.00 44.41 H new ATOM 0 HD22 ASN A 56 -1.943 -0.163 -25.475 1.00 44.41 H new ATOM 895 N VAL A 57 -7.151 -0.071 -25.232 1.00 1.20 N ATOM 896 CA VAL A 57 -8.526 -0.363 -25.617 1.00 73.53 C ATOM 897 C VAL A 57 -9.502 0.590 -24.937 1.00 73.11 C ATOM 898 O VAL A 57 -10.556 0.913 -25.486 1.00 41.52 O ATOM 899 CB VAL A 57 -8.912 -1.813 -25.265 1.00 44.42 C ATOM 900 CG1 VAL A 57 -10.375 -2.070 -25.589 1.00 15.35 C ATOM 901 CG2 VAL A 57 -8.014 -2.796 -26.001 1.00 2.11 C ATOM 0 H VAL A 57 -6.694 -0.814 -24.704 1.00 1.20 H new ATOM 0 HA VAL A 57 -8.587 -0.230 -26.697 1.00 73.53 H new ATOM 0 HB VAL A 57 -8.771 -1.958 -24.194 1.00 44.42 H new ATOM 0 HG11 VAL A 57 -10.629 -3.099 -25.334 1.00 15.35 H new ATOM 0 HG12 VAL A 57 -11.000 -1.388 -25.013 1.00 15.35 H new ATOM 0 HG13 VAL A 57 -10.546 -1.907 -26.653 1.00 15.35 H new ATOM 0 HG21 VAL A 57 -8.300 -3.815 -25.741 1.00 2.11 H new ATOM 0 HG22 VAL A 57 -8.121 -2.652 -27.076 1.00 2.11 H new ATOM 0 HG23 VAL A 57 -6.976 -2.626 -25.714 1.00 2.11 H new ATOM 911 N CYS A 58 -9.145 1.038 -23.738 1.00 60.42 N ATOM 912 CA CYS A 58 -9.988 1.955 -22.981 1.00 74.32 C ATOM 913 C CYS A 58 -10.088 3.306 -23.682 1.00 40.51 C ATOM 914 O CYS A 58 -11.007 4.085 -23.426 1.00 71.41 O ATOM 915 CB CYS A 58 -9.435 2.141 -21.567 1.00 64.41 C ATOM 916 SG CYS A 58 -10.714 2.378 -20.293 1.00 34.04 S ATOM 0 H CYS A 58 -8.276 0.780 -23.269 1.00 60.42 H new ATOM 0 HA CYS A 58 -10.987 1.523 -22.919 1.00 74.32 H new ATOM 0 HB2 CYS A 58 -8.835 1.270 -21.306 1.00 64.41 H new ATOM 0 HB3 CYS A 58 -8.767 3.002 -21.560 1.00 64.41 H new ATOM 921 N PHE A 59 -9.136 3.579 -24.568 1.00 24.10 N ATOM 922 CA PHE A 59 -9.115 4.836 -25.306 1.00 1.51 C ATOM 923 C PHE A 59 -9.448 4.609 -26.777 1.00 55.14 C ATOM 924 O PHE A 59 -9.506 5.554 -27.564 1.00 62.20 O ATOM 925 CB PHE A 59 -7.744 5.504 -25.179 1.00 50.13 C ATOM 926 CG PHE A 59 -7.211 5.517 -23.775 1.00 64.53 C ATOM 927 CD1 PHE A 59 -7.570 6.522 -22.893 1.00 3.54 C ATOM 928 CD2 PHE A 59 -6.351 4.522 -23.338 1.00 2.01 C ATOM 929 CE1 PHE A 59 -7.080 6.537 -21.600 1.00 64.55 C ATOM 930 CE2 PHE A 59 -5.858 4.531 -22.047 1.00 22.44 C ATOM 931 CZ PHE A 59 -6.224 5.539 -21.177 1.00 24.25 C ATOM 0 H PHE A 59 -8.368 2.946 -24.792 1.00 24.10 H new ATOM 0 HA PHE A 59 -9.872 5.492 -24.877 1.00 1.51 H new ATOM 0 HB2 PHE A 59 -7.035 4.985 -25.824 1.00 50.13 H new ATOM 0 HB3 PHE A 59 -7.813 6.529 -25.542 1.00 50.13 H new ATOM 0 HD1 PHE A 59 -8.241 7.303 -23.219 1.00 3.54 H new ATOM 0 HD2 PHE A 59 -6.063 3.731 -24.014 1.00 2.01 H new ATOM 0 HE1 PHE A 59 -7.366 7.328 -20.922 1.00 64.55 H new ATOM 0 HE2 PHE A 59 -5.187 3.751 -21.719 1.00 22.44 H new ATOM 0 HZ PHE A 59 -5.841 5.547 -20.167 1.00 24.25 H new ATOM 941 N GLN A 60 -9.667 3.349 -27.141 1.00 2.43 N ATOM 942 CA GLN A 60 -9.993 2.998 -28.518 1.00 33.44 C ATOM 943 C GLN A 60 -11.500 3.044 -28.749 1.00 32.05 C ATOM 944 O GLN A 60 -12.000 3.906 -29.470 1.00 12.52 O ATOM 945 CB GLN A 60 -9.457 1.604 -28.851 1.00 41.52 C ATOM 946 CG GLN A 60 -8.025 1.610 -29.360 1.00 64.14 C ATOM 947 CD GLN A 60 -7.943 1.663 -30.873 1.00 73.23 C ATOM 948 OE1 GLN A 60 -7.337 2.571 -31.443 1.00 22.35 O ATOM 949 NE2 GLN A 60 -8.556 0.687 -31.534 1.00 25.02 N ATOM 0 H GLN A 60 -9.625 2.555 -26.502 1.00 2.43 H new ATOM 0 HA GLN A 60 -9.520 3.728 -29.175 1.00 33.44 H new ATOM 0 HB2 GLN A 60 -9.515 0.979 -27.960 1.00 41.52 H new ATOM 0 HB3 GLN A 60 -10.100 1.147 -29.603 1.00 41.52 H new ATOM 0 HG2 GLN A 60 -7.498 2.468 -28.941 1.00 64.14 H new ATOM 0 HG3 GLN A 60 -7.513 0.716 -29.003 1.00 64.14 H new ATOM 0 HE21 GLN A 60 -9.047 -0.046 -31.022 1.00 25.02 H new ATOM 0 HE22 GLN A 60 -8.536 0.671 -32.554 1.00 25.02 H new ATOM 958 N GLU A 61 -12.218 2.110 -28.132 1.00 4.24 N ATOM 959 CA GLU A 61 -13.668 2.045 -28.272 1.00 65.21 C ATOM 960 C GLU A 61 -14.343 1.958 -26.906 1.00 50.54 C ATOM 961 O GLU A 61 -13.676 1.913 -25.873 1.00 11.05 O ATOM 962 CB GLU A 61 -14.066 0.840 -29.127 1.00 44.12 C ATOM 963 CG GLU A 61 -15.366 1.037 -29.888 1.00 32.42 C ATOM 964 CD GLU A 61 -15.432 0.206 -31.155 1.00 13.31 C ATOM 965 OE1 GLU A 61 -14.835 -0.890 -31.177 1.00 24.12 O ATOM 966 OE2 GLU A 61 -16.081 0.652 -32.124 1.00 42.51 O ATOM 0 H GLU A 61 -11.819 1.389 -27.531 1.00 4.24 H new ATOM 0 HA GLU A 61 -14.001 2.958 -28.765 1.00 65.21 H new ATOM 0 HB2 GLU A 61 -13.267 0.630 -29.838 1.00 44.12 H new ATOM 0 HB3 GLU A 61 -14.160 -0.036 -28.485 1.00 44.12 H new ATOM 0 HG2 GLU A 61 -16.204 0.775 -29.242 1.00 32.42 H new ATOM 0 HG3 GLU A 61 -15.477 2.091 -30.143 1.00 32.42 H new ATOM 973 N LYS A 62 -15.672 1.937 -26.911 1.00 24.15 N ATOM 974 CA LYS A 62 -16.440 1.855 -25.674 1.00 3.31 C ATOM 975 C LYS A 62 -17.613 0.893 -25.825 1.00 34.21 C ATOM 976 O LYS A 62 -18.130 0.696 -26.925 1.00 20.41 O ATOM 977 CB LYS A 62 -16.951 3.241 -25.275 1.00 12.33 C ATOM 978 CG LYS A 62 -15.871 4.151 -24.716 1.00 64.22 C ATOM 979 CD LYS A 62 -16.371 5.576 -24.554 1.00 3.43 C ATOM 980 CE LYS A 62 -16.427 6.303 -25.889 1.00 4.02 C ATOM 981 NZ LYS A 62 -16.721 7.753 -25.719 1.00 61.02 N ATOM 0 H LYS A 62 -16.239 1.976 -27.758 1.00 24.15 H new ATOM 0 HA LYS A 62 -15.782 1.478 -24.891 1.00 3.31 H new ATOM 0 HB2 LYS A 62 -17.401 3.718 -26.146 1.00 12.33 H new ATOM 0 HB3 LYS A 62 -17.740 3.128 -24.531 1.00 12.33 H new ATOM 0 HG2 LYS A 62 -15.537 3.770 -23.751 1.00 64.22 H new ATOM 0 HG3 LYS A 62 -15.006 4.141 -25.380 1.00 64.22 H new ATOM 0 HD2 LYS A 62 -17.363 5.565 -24.103 1.00 3.43 H new ATOM 0 HD3 LYS A 62 -15.716 6.117 -23.871 1.00 3.43 H new ATOM 0 HE2 LYS A 62 -15.476 6.184 -26.408 1.00 4.02 H new ATOM 0 HE3 LYS A 62 -17.192 5.849 -26.518 1.00 4.02 H new ATOM 0 HZ1 LYS A 62 -16.751 8.213 -26.651 1.00 61.02 H new ATOM 0 HZ2 LYS A 62 -17.641 7.868 -25.247 1.00 61.02 H new ATOM 0 HZ3 LYS A 62 -15.977 8.192 -25.140 1.00 61.02 H new ATOM 995 N VAL A 63 -18.031 0.297 -24.713 1.00 21.44 N ATOM 996 CA VAL A 63 -19.146 -0.643 -24.721 1.00 65.31 C ATOM 997 C VAL A 63 -20.004 -0.489 -23.471 1.00 12.21 C ATOM 998 O VAL A 63 -19.703 0.321 -22.593 1.00 33.31 O ATOM 999 CB VAL A 63 -18.651 -2.099 -24.815 1.00 34.14 C ATOM 1000 CG1 VAL A 63 -17.504 -2.211 -25.807 1.00 21.02 C ATOM 1001 CG2 VAL A 63 -18.233 -2.608 -23.443 1.00 71.35 C ATOM 0 H VAL A 63 -17.614 0.448 -23.794 1.00 21.44 H new ATOM 0 HA VAL A 63 -19.747 -0.414 -25.601 1.00 65.31 H new ATOM 0 HB VAL A 63 -19.471 -2.721 -25.174 1.00 34.14 H new ATOM 0 HG11 VAL A 63 -17.168 -3.247 -25.859 1.00 21.02 H new ATOM 0 HG12 VAL A 63 -17.842 -1.889 -26.792 1.00 21.02 H new ATOM 0 HG13 VAL A 63 -16.678 -1.578 -25.482 1.00 21.02 H new ATOM 0 HG21 VAL A 63 -17.886 -3.638 -23.527 1.00 71.35 H new ATOM 0 HG22 VAL A 63 -17.428 -1.985 -23.053 1.00 71.35 H new ATOM 0 HG23 VAL A 63 -19.085 -2.567 -22.764 1.00 71.35 H new ATOM 1011 N THR A 64 -21.076 -1.271 -23.395 1.00 73.44 N ATOM 1012 CA THR A 64 -21.980 -1.222 -22.253 1.00 41.21 C ATOM 1013 C THR A 64 -21.801 -2.442 -21.357 1.00 51.10 C ATOM 1014 O THR A 64 -20.992 -3.324 -21.646 1.00 42.00 O ATOM 1015 CB THR A 64 -23.451 -1.141 -22.703 1.00 42.14 C ATOM 1016 OG1 THR A 64 -23.540 -0.480 -23.971 1.00 5.15 O ATOM 1017 CG2 THR A 64 -24.291 -0.396 -21.677 1.00 43.41 C ATOM 0 H THR A 64 -21.340 -1.947 -24.112 1.00 73.44 H new ATOM 0 HA THR A 64 -21.730 -0.322 -21.691 1.00 41.21 H new ATOM 0 HB THR A 64 -23.836 -2.157 -22.795 1.00 42.14 H new ATOM 0 HG1 THR A 64 -24.478 -0.434 -24.251 1.00 5.15 H new ATOM 0 HG21 THR A 64 -25.326 -0.352 -22.017 1.00 43.41 H new ATOM 0 HG22 THR A 64 -24.245 -0.918 -20.721 1.00 43.41 H new ATOM 0 HG23 THR A 64 -23.905 0.616 -21.557 1.00 43.41 H new ATOM 1025 N CYS A 65 -22.561 -2.487 -20.268 1.00 75.33 N ATOM 1026 CA CYS A 65 -22.488 -3.600 -19.329 1.00 44.21 C ATOM 1027 C CYS A 65 -23.861 -3.904 -18.737 1.00 3.23 C ATOM 1028 O CYS A 65 -24.757 -3.060 -18.753 1.00 72.01 O ATOM 1029 CB CYS A 65 -21.495 -3.283 -18.208 1.00 72.44 C ATOM 1030 SG CYS A 65 -19.792 -3.834 -18.546 1.00 41.02 S ATOM 0 H CYS A 65 -23.235 -1.765 -20.014 1.00 75.33 H new ATOM 0 HA CYS A 65 -22.144 -4.480 -19.873 1.00 44.21 H new ATOM 0 HB2 CYS A 65 -21.490 -2.207 -18.035 1.00 72.44 H new ATOM 0 HB3 CYS A 65 -21.841 -3.752 -17.287 1.00 72.44 H new ATOM 1035 N LYS A 66 -24.018 -5.115 -18.214 1.00 11.15 N ATOM 1036 CA LYS A 66 -25.280 -5.532 -17.614 1.00 52.20 C ATOM 1037 C LYS A 66 -25.901 -4.396 -16.808 1.00 0.45 C ATOM 1038 O LYS A 66 -27.081 -4.085 -16.962 1.00 72.22 O ATOM 1039 CB LYS A 66 -25.063 -6.751 -16.714 1.00 52.35 C ATOM 1040 CG LYS A 66 -26.265 -7.677 -16.645 1.00 11.35 C ATOM 1041 CD LYS A 66 -27.242 -7.242 -15.565 1.00 23.24 C ATOM 1042 CE LYS A 66 -28.612 -7.871 -15.766 1.00 41.14 C ATOM 1043 NZ LYS A 66 -28.638 -9.295 -15.332 1.00 31.02 N ATOM 0 H LYS A 66 -23.287 -5.826 -18.193 1.00 11.15 H new ATOM 0 HA LYS A 66 -25.965 -5.800 -18.419 1.00 52.20 H new ATOM 0 HB2 LYS A 66 -24.203 -7.313 -17.078 1.00 52.35 H new ATOM 0 HB3 LYS A 66 -24.819 -6.411 -15.708 1.00 52.35 H new ATOM 0 HG2 LYS A 66 -26.771 -7.691 -17.610 1.00 11.35 H new ATOM 0 HG3 LYS A 66 -25.930 -8.695 -16.446 1.00 11.35 H new ATOM 0 HD2 LYS A 66 -26.852 -7.522 -14.586 1.00 23.24 H new ATOM 0 HD3 LYS A 66 -27.335 -6.156 -15.573 1.00 23.24 H new ATOM 0 HE2 LYS A 66 -29.357 -7.307 -15.204 1.00 41.14 H new ATOM 0 HE3 LYS A 66 -28.890 -7.807 -16.818 1.00 41.14 H new ATOM 0 HZ1 LYS A 66 -29.589 -9.687 -15.485 1.00 31.02 H new ATOM 0 HZ2 LYS A 66 -27.946 -9.839 -15.885 1.00 31.02 H new ATOM 0 HZ3 LYS A 66 -28.398 -9.355 -14.322 1.00 31.02 H new ATOM 1057 N ASN A 67 -25.097 -3.778 -15.948 1.00 30.21 N ATOM 1058 CA ASN A 67 -25.568 -2.675 -15.118 1.00 20.41 C ATOM 1059 C ASN A 67 -25.911 -1.459 -15.973 1.00 31.23 C ATOM 1060 O ASN A 67 -26.784 -0.666 -15.621 1.00 64.31 O ATOM 1061 CB ASN A 67 -24.507 -2.301 -14.081 1.00 11.01 C ATOM 1062 CG ASN A 67 -23.108 -2.279 -14.666 1.00 74.35 C ATOM 1063 OD1 ASN A 67 -22.809 -1.485 -15.558 1.00 0.10 O ATOM 1064 ND2 ASN A 67 -22.244 -3.155 -14.167 1.00 13.15 N ATOM 0 H ASN A 67 -24.117 -4.022 -15.808 1.00 30.21 H new ATOM 0 HA ASN A 67 -26.471 -3.001 -14.602 1.00 20.41 H new ATOM 0 HB2 ASN A 67 -24.739 -1.321 -13.665 1.00 11.01 H new ATOM 0 HB3 ASN A 67 -24.542 -3.013 -13.257 1.00 11.01 H new ATOM 0 HD21 ASN A 67 -21.289 -3.188 -14.523 1.00 13.15 H new ATOM 0 HD22 ASN A 67 -22.536 -3.795 -13.428 1.00 13.15 H new ATOM 1071 N GLY A 68 -25.218 -1.319 -17.099 1.00 21.33 N ATOM 1072 CA GLY A 68 -25.464 -0.198 -17.987 1.00 22.12 C ATOM 1073 C GLY A 68 -24.463 0.924 -17.795 1.00 12.15 C ATOM 1074 O GLY A 68 -24.767 2.086 -18.062 1.00 3.44 O ATOM 0 H GLY A 68 -24.491 -1.962 -17.412 1.00 21.33 H new ATOM 0 HA2 GLY A 68 -25.426 -0.542 -19.021 1.00 22.12 H new ATOM 0 HA3 GLY A 68 -26.470 0.184 -17.815 1.00 22.12 H new ATOM 1078 N GLN A 69 -23.268 0.576 -17.329 1.00 31.05 N ATOM 1079 CA GLN A 69 -22.221 1.564 -17.099 1.00 1.15 C ATOM 1080 C GLN A 69 -21.380 1.769 -18.355 1.00 34.15 C ATOM 1081 O GLN A 69 -21.386 0.936 -19.260 1.00 51.20 O ATOM 1082 CB GLN A 69 -21.326 1.129 -15.937 1.00 21.21 C ATOM 1083 CG GLN A 69 -22.014 1.191 -14.583 1.00 24.33 C ATOM 1084 CD GLN A 69 -22.127 2.605 -14.050 1.00 10.42 C ATOM 1085 OE1 GLN A 69 -21.286 3.058 -13.272 1.00 61.44 O ATOM 1086 NE2 GLN A 69 -23.170 3.313 -14.466 1.00 54.33 N ATOM 0 H GLN A 69 -23.001 -0.382 -17.103 1.00 31.05 H new ATOM 0 HA GLN A 69 -22.699 2.510 -16.846 1.00 1.15 H new ATOM 0 HB2 GLN A 69 -20.984 0.110 -16.115 1.00 21.21 H new ATOM 0 HB3 GLN A 69 -20.440 1.763 -15.914 1.00 21.21 H new ATOM 0 HG2 GLN A 69 -23.011 0.757 -14.666 1.00 24.33 H new ATOM 0 HG3 GLN A 69 -21.459 0.581 -13.870 1.00 24.33 H new ATOM 0 HE21 GLN A 69 -23.843 2.899 -15.111 1.00 54.33 H new ATOM 0 HE22 GLN A 69 -23.298 4.271 -14.141 1.00 54.33 H new ATOM 1095 N GLY A 70 -20.658 2.884 -18.402 1.00 50.31 N ATOM 1096 CA GLY A 70 -19.823 3.179 -19.552 1.00 23.42 C ATOM 1097 C GLY A 70 -18.353 2.925 -19.281 1.00 10.43 C ATOM 1098 O GLY A 70 -17.491 3.357 -20.045 1.00 1.35 O ATOM 0 H GLY A 70 -20.636 3.588 -17.665 1.00 50.31 H new ATOM 0 HA2 GLY A 70 -20.144 2.569 -20.397 1.00 23.42 H new ATOM 0 HA3 GLY A 70 -19.962 4.221 -19.840 1.00 23.42 H new ATOM 1102 N ASN A 71 -18.067 2.224 -18.188 1.00 44.54 N ATOM 1103 CA ASN A 71 -16.690 1.917 -17.817 1.00 33.51 C ATOM 1104 C ASN A 71 -16.220 0.630 -18.489 1.00 52.12 C ATOM 1105 O ASN A 71 -15.187 0.068 -18.125 1.00 43.23 O ATOM 1106 CB ASN A 71 -16.567 1.786 -16.298 1.00 33.45 C ATOM 1107 CG ASN A 71 -16.763 0.359 -15.822 1.00 64.35 C ATOM 1108 OD1 ASN A 71 -16.173 -0.062 -14.827 1.00 33.01 O ATOM 1109 ND2 ASN A 71 -17.593 -0.393 -16.535 1.00 73.40 N ATOM 0 H ASN A 71 -18.769 1.858 -17.545 1.00 44.54 H new ATOM 0 HA ASN A 71 -16.057 2.736 -18.157 1.00 33.51 H new ATOM 0 HB2 ASN A 71 -15.585 2.139 -15.984 1.00 33.45 H new ATOM 0 HB3 ASN A 71 -17.305 2.430 -15.820 1.00 33.45 H new ATOM 0 HD21 ASN A 71 -17.763 -1.362 -16.265 1.00 73.40 H new ATOM 0 HD22 ASN A 71 -18.061 -0.002 -17.353 1.00 73.40 H new ATOM 1116 N CYS A 72 -16.986 0.169 -19.472 1.00 41.05 N ATOM 1117 CA CYS A 72 -16.649 -1.051 -20.197 1.00 12.42 C ATOM 1118 C CYS A 72 -16.182 -0.730 -21.614 1.00 23.34 C ATOM 1119 O CYS A 72 -16.611 0.257 -22.212 1.00 23.40 O ATOM 1120 CB CYS A 72 -17.857 -1.989 -20.246 1.00 65.02 C ATOM 1121 SG CYS A 72 -18.692 -2.210 -18.643 1.00 34.42 S ATOM 0 H CYS A 72 -17.845 0.622 -19.785 1.00 41.05 H new ATOM 0 HA CYS A 72 -15.834 -1.546 -19.668 1.00 12.42 H new ATOM 0 HB2 CYS A 72 -18.576 -1.601 -20.968 1.00 65.02 H new ATOM 0 HB3 CYS A 72 -17.532 -2.963 -20.612 1.00 65.02 H new ATOM 1126 N TYR A 73 -15.301 -1.571 -22.144 1.00 24.01 N ATOM 1127 CA TYR A 73 -14.773 -1.377 -23.489 1.00 60.03 C ATOM 1128 C TYR A 73 -14.281 -2.696 -24.077 1.00 22.11 C ATOM 1129 O TYR A 73 -13.945 -3.629 -23.346 1.00 40.44 O ATOM 1130 CB TYR A 73 -13.633 -0.357 -23.470 1.00 60.45 C ATOM 1131 CG TYR A 73 -13.802 0.720 -22.424 1.00 2.45 C ATOM 1132 CD1 TYR A 73 -13.589 0.449 -21.078 1.00 25.02 C ATOM 1133 CD2 TYR A 73 -14.174 2.011 -22.781 1.00 23.24 C ATOM 1134 CE1 TYR A 73 -13.742 1.430 -20.118 1.00 54.50 C ATOM 1135 CE2 TYR A 73 -14.328 2.999 -21.828 1.00 14.03 C ATOM 1136 CZ TYR A 73 -14.112 2.704 -20.498 1.00 32.11 C ATOM 1137 OH TYR A 73 -14.265 3.685 -19.545 1.00 32.31 O ATOM 0 H TYR A 73 -14.937 -2.394 -21.663 1.00 24.01 H new ATOM 0 HA TYR A 73 -15.579 -0.999 -24.117 1.00 60.03 H new ATOM 0 HB2 TYR A 73 -12.693 -0.879 -23.293 1.00 60.45 H new ATOM 0 HB3 TYR A 73 -13.558 0.110 -24.452 1.00 60.45 H new ATOM 0 HD1 TYR A 73 -13.299 -0.547 -20.777 1.00 25.02 H new ATOM 0 HD2 TYR A 73 -14.346 2.245 -23.821 1.00 23.24 H new ATOM 0 HE1 TYR A 73 -13.573 1.201 -19.076 1.00 54.50 H new ATOM 0 HE2 TYR A 73 -14.616 3.997 -22.123 1.00 14.03 H new ATOM 0 HH TYR A 73 -13.383 3.980 -19.234 1.00 32.31 H new ATOM 1147 N LYS A 74 -14.240 -2.767 -25.403 1.00 52.21 N ATOM 1148 CA LYS A 74 -13.788 -3.969 -26.092 1.00 63.42 C ATOM 1149 C LYS A 74 -12.558 -3.677 -26.947 1.00 34.04 C ATOM 1150 O LYS A 74 -12.456 -2.615 -27.561 1.00 21.22 O ATOM 1151 CB LYS A 74 -14.909 -4.532 -26.969 1.00 21.13 C ATOM 1152 CG LYS A 74 -16.100 -5.045 -26.178 1.00 0.11 C ATOM 1153 CD LYS A 74 -17.283 -5.345 -27.083 1.00 61.21 C ATOM 1154 CE LYS A 74 -18.585 -5.399 -26.299 1.00 52.41 C ATOM 1155 NZ LYS A 74 -19.754 -5.013 -27.138 1.00 3.42 N ATOM 0 H LYS A 74 -14.515 -2.005 -26.023 1.00 52.21 H new ATOM 0 HA LYS A 74 -13.518 -4.709 -25.338 1.00 63.42 H new ATOM 0 HB2 LYS A 74 -15.247 -3.756 -27.656 1.00 21.13 H new ATOM 0 HB3 LYS A 74 -14.510 -5.344 -27.577 1.00 21.13 H new ATOM 0 HG2 LYS A 74 -15.817 -5.948 -25.637 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -16.389 -4.304 -25.433 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -17.354 -4.580 -27.856 1.00 61.21 H new ATOM 0 HD3 LYS A 74 -17.123 -6.297 -27.590 1.00 61.21 H new ATOM 0 HE2 LYS A 74 -18.734 -6.407 -25.911 1.00 52.41 H new ATOM 0 HE3 LYS A 74 -18.519 -4.732 -25.439 1.00 52.41 H new ATOM 0 HZ1 LYS A 74 -20.622 -5.062 -26.568 1.00 3.42 H new ATOM 0 HZ2 LYS A 74 -19.625 -4.042 -27.488 1.00 3.42 H new ATOM 0 HZ3 LYS A 74 -19.832 -5.664 -27.945 1.00 3.42 H new ATOM 1169 N SER A 75 -11.629 -4.626 -26.982 1.00 64.20 N ATOM 1170 CA SER A 75 -10.405 -4.469 -27.760 1.00 30.04 C ATOM 1171 C SER A 75 -10.692 -4.583 -29.254 1.00 15.24 C ATOM 1172 O SER A 75 -11.309 -5.546 -29.706 1.00 73.04 O ATOM 1173 CB SER A 75 -9.374 -5.521 -27.346 1.00 1.34 C ATOM 1174 OG SER A 75 -9.634 -6.764 -27.973 1.00 22.40 O ATOM 0 H SER A 75 -11.700 -5.512 -26.481 1.00 64.20 H new ATOM 0 HA SER A 75 -10.002 -3.476 -27.560 1.00 30.04 H new ATOM 0 HB2 SER A 75 -8.374 -5.179 -27.611 1.00 1.34 H new ATOM 0 HB3 SER A 75 -9.392 -5.646 -26.263 1.00 1.34 H new ATOM 0 HG SER A 75 -8.921 -6.962 -28.615 1.00 22.40 H new ATOM 1180 N ASN A 76 -10.240 -3.591 -30.014 1.00 11.10 N ATOM 1181 CA ASN A 76 -10.449 -3.578 -31.457 1.00 64.24 C ATOM 1182 C ASN A 76 -9.517 -4.568 -32.150 1.00 42.23 C ATOM 1183 O ASN A 76 -9.693 -4.883 -33.327 1.00 53.21 O ATOM 1184 CB ASN A 76 -10.222 -2.171 -32.014 1.00 24.20 C ATOM 1185 CG ASN A 76 -11.341 -1.216 -31.645 1.00 65.24 C ATOM 1186 OD1 ASN A 76 -11.154 -0.305 -30.839 1.00 24.44 O ATOM 1187 ND2 ASN A 76 -12.512 -1.421 -32.237 1.00 22.14 N ATOM 0 H ASN A 76 -9.727 -2.786 -29.655 1.00 11.10 H new ATOM 0 HA ASN A 76 -11.479 -3.877 -31.653 1.00 64.24 H new ATOM 0 HB2 ASN A 76 -9.276 -1.782 -31.636 1.00 24.20 H new ATOM 0 HB3 ASN A 76 -10.135 -2.222 -33.099 1.00 24.20 H new ATOM 0 HD21 ASN A 76 -13.302 -0.810 -32.030 1.00 22.14 H new ATOM 0 HD22 ASN A 76 -12.621 -2.189 -32.899 1.00 22.14 H new ATOM 1194 N SER A 77 -8.525 -5.055 -31.412 1.00 1.13 N ATOM 1195 CA SER A 77 -7.563 -6.006 -31.955 1.00 61.45 C ATOM 1196 C SER A 77 -7.482 -7.255 -31.083 1.00 64.40 C ATOM 1197 O SER A 77 -7.364 -7.166 -29.861 1.00 45.20 O ATOM 1198 CB SER A 77 -6.181 -5.359 -32.069 1.00 15.11 C ATOM 1199 OG SER A 77 -6.289 -3.961 -32.276 1.00 61.21 O ATOM 0 H SER A 77 -8.366 -4.806 -30.436 1.00 1.13 H new ATOM 0 HA SER A 77 -7.902 -6.299 -32.949 1.00 61.45 H new ATOM 0 HB2 SER A 77 -5.609 -5.553 -31.161 1.00 15.11 H new ATOM 0 HB3 SER A 77 -5.631 -5.811 -32.895 1.00 15.11 H new ATOM 0 HG SER A 77 -5.393 -3.570 -32.344 1.00 61.21 H new ATOM 1205 N SER A 78 -7.546 -8.420 -31.720 1.00 61.04 N ATOM 1206 CA SER A 78 -7.483 -9.688 -31.003 1.00 75.34 C ATOM 1207 C SER A 78 -6.269 -9.731 -30.081 1.00 33.53 C ATOM 1208 O SER A 78 -5.284 -9.028 -30.301 1.00 24.32 O ATOM 1209 CB SER A 78 -7.429 -10.855 -31.992 1.00 1.13 C ATOM 1210 OG SER A 78 -6.156 -10.942 -32.608 1.00 61.10 O ATOM 0 H SER A 78 -7.641 -8.512 -32.731 1.00 61.04 H new ATOM 0 HA SER A 78 -8.383 -9.778 -30.394 1.00 75.34 H new ATOM 0 HB2 SER A 78 -7.649 -11.787 -31.472 1.00 1.13 H new ATOM 0 HB3 SER A 78 -8.197 -10.726 -32.754 1.00 1.13 H new ATOM 0 HG SER A 78 -6.146 -11.696 -33.234 1.00 61.10 H new ATOM 1216 N MET A 79 -6.349 -10.562 -29.047 1.00 32.44 N ATOM 1217 CA MET A 79 -5.257 -10.699 -28.090 1.00 43.12 C ATOM 1218 C MET A 79 -5.162 -12.131 -27.574 1.00 20.11 C ATOM 1219 O MET A 79 -6.174 -12.754 -27.252 1.00 55.12 O ATOM 1220 CB MET A 79 -5.452 -9.734 -26.919 1.00 72.11 C ATOM 1221 CG MET A 79 -4.624 -8.464 -27.033 1.00 32.51 C ATOM 1222 SD MET A 79 -5.550 -7.093 -27.750 1.00 31.33 S ATOM 1223 CE MET A 79 -5.364 -5.854 -26.470 1.00 54.10 C ATOM 0 H MET A 79 -7.158 -11.151 -28.850 1.00 32.44 H new ATOM 0 HA MET A 79 -4.326 -10.454 -28.602 1.00 43.12 H new ATOM 0 HB2 MET A 79 -6.506 -9.466 -26.852 1.00 72.11 H new ATOM 0 HB3 MET A 79 -5.193 -10.244 -25.991 1.00 72.11 H new ATOM 0 HG2 MET A 79 -4.267 -8.178 -26.044 1.00 32.51 H new ATOM 0 HG3 MET A 79 -3.744 -8.662 -27.645 1.00 32.51 H new ATOM 0 HE1 MET A 79 -5.677 -4.883 -26.855 1.00 54.10 H new ATOM 0 HE2 MET A 79 -5.982 -6.121 -25.613 1.00 54.10 H new ATOM 0 HE3 MET A 79 -4.320 -5.803 -26.162 1.00 54.10 H new ATOM 1233 N HIS A 80 -3.940 -12.648 -27.497 1.00 62.35 N ATOM 1234 CA HIS A 80 -3.713 -14.008 -27.020 1.00 15.23 C ATOM 1235 C HIS A 80 -4.186 -14.162 -25.577 1.00 64.42 C ATOM 1236 O HIS A 80 -3.763 -13.417 -24.693 1.00 23.54 O ATOM 1237 CB HIS A 80 -2.231 -14.368 -27.125 1.00 12.32 C ATOM 1238 CG HIS A 80 -1.749 -14.514 -28.535 1.00 61.02 C ATOM 1239 ND1 HIS A 80 -1.027 -13.538 -29.189 1.00 3.13 N ATOM 1240 CD2 HIS A 80 -1.887 -15.531 -29.417 1.00 74.42 C ATOM 1241 CE1 HIS A 80 -0.743 -13.948 -30.412 1.00 55.22 C ATOM 1242 NE2 HIS A 80 -1.254 -15.155 -30.576 1.00 11.10 N ATOM 0 H HIS A 80 -3.092 -12.146 -27.759 1.00 62.35 H new ATOM 0 HA HIS A 80 -4.288 -14.688 -27.648 1.00 15.23 H new ATOM 0 HB2 HIS A 80 -1.642 -13.598 -26.626 1.00 12.32 H new ATOM 0 HB3 HIS A 80 -2.053 -15.301 -26.590 1.00 12.32 H new ATOM 0 HD2 HIS A 80 -2.400 -16.465 -29.242 1.00 74.42 H new ATOM 0 HE1 HIS A 80 -0.187 -13.391 -31.152 1.00 55.22 H new ATOM 0 HE2 HIS A 80 -1.189 -15.716 -31.425 1.00 11.10 H new ATOM 1250 N ILE A 81 -5.064 -15.133 -25.348 1.00 50.40 N ATOM 1251 CA ILE A 81 -5.593 -15.384 -24.013 1.00 63.12 C ATOM 1252 C ILE A 81 -5.695 -16.880 -23.735 1.00 71.04 C ATOM 1253 O ILE A 81 -5.528 -17.704 -24.636 1.00 1.53 O ATOM 1254 CB ILE A 81 -6.981 -14.743 -23.827 1.00 45.33 C ATOM 1255 CG1 ILE A 81 -8.034 -15.515 -24.624 1.00 52.32 C ATOM 1256 CG2 ILE A 81 -6.951 -13.283 -24.254 1.00 4.33 C ATOM 1257 CD1 ILE A 81 -7.945 -15.292 -26.118 1.00 21.33 C ATOM 0 H ILE A 81 -5.424 -15.758 -26.069 1.00 50.40 H new ATOM 0 HA ILE A 81 -4.896 -14.932 -23.307 1.00 63.12 H new ATOM 0 HB ILE A 81 -7.247 -14.787 -22.771 1.00 45.33 H new ATOM 0 HG12 ILE A 81 -7.926 -16.580 -24.417 1.00 52.32 H new ATOM 0 HG13 ILE A 81 -9.026 -15.222 -24.280 1.00 52.32 H new ATOM 0 HG21 ILE A 81 -7.939 -12.843 -24.117 1.00 4.33 H new ATOM 0 HG22 ILE A 81 -6.225 -12.741 -23.647 1.00 4.33 H new ATOM 0 HG23 ILE A 81 -6.667 -13.217 -25.304 1.00 4.33 H new ATOM 0 HD11 ILE A 81 -8.721 -15.870 -26.619 1.00 21.33 H new ATOM 0 HD12 ILE A 81 -8.083 -14.233 -26.337 1.00 21.33 H new ATOM 0 HD13 ILE A 81 -6.966 -15.612 -26.476 1.00 21.33 H new ATOM 1269 N THR A 82 -5.973 -17.226 -22.482 1.00 70.11 N ATOM 1270 CA THR A 82 -6.099 -18.623 -22.085 1.00 1.42 C ATOM 1271 C THR A 82 -7.333 -18.838 -21.216 1.00 24.02 C ATOM 1272 O THR A 82 -7.328 -18.523 -20.026 1.00 1.04 O ATOM 1273 CB THR A 82 -4.853 -19.102 -21.316 1.00 72.41 C ATOM 1274 OG1 THR A 82 -3.753 -19.263 -22.218 1.00 43.00 O ATOM 1275 CG2 THR A 82 -5.130 -20.419 -20.606 1.00 4.12 C ATOM 0 H THR A 82 -6.115 -16.558 -21.725 1.00 70.11 H new ATOM 0 HA THR A 82 -6.198 -19.205 -23.001 1.00 1.42 H new ATOM 0 HB THR A 82 -4.602 -18.349 -20.568 1.00 72.41 H new ATOM 0 HG1 THR A 82 -3.060 -18.602 -22.010 1.00 43.00 H new ATOM 0 HG21 THR A 82 -4.236 -20.738 -20.070 1.00 4.12 H new ATOM 0 HG22 THR A 82 -5.949 -20.286 -19.899 1.00 4.12 H new ATOM 0 HG23 THR A 82 -5.403 -21.177 -21.340 1.00 4.12 H new ATOM 1283 N ASP A 83 -8.387 -19.377 -21.817 1.00 53.22 N ATOM 1284 CA ASP A 83 -9.628 -19.636 -21.097 1.00 35.41 C ATOM 1285 C ASP A 83 -9.400 -20.627 -19.959 1.00 44.43 C ATOM 1286 O ASP A 83 -8.821 -21.695 -20.159 1.00 31.21 O ATOM 1287 CB ASP A 83 -10.694 -20.175 -22.052 1.00 74.52 C ATOM 1288 CG ASP A 83 -11.546 -19.073 -22.650 1.00 73.35 C ATOM 1289 OD1 ASP A 83 -11.060 -18.378 -23.567 1.00 62.21 O ATOM 1290 OD2 ASP A 83 -12.700 -18.906 -22.203 1.00 21.53 O ATOM 0 H ASP A 83 -8.407 -19.643 -22.801 1.00 53.22 H new ATOM 0 HA ASP A 83 -9.975 -18.694 -20.671 1.00 35.41 H new ATOM 0 HB2 ASP A 83 -10.210 -20.732 -22.854 1.00 74.52 H new ATOM 0 HB3 ASP A 83 -11.335 -20.876 -21.518 1.00 74.52 H new ATOM 1295 N CYS A 84 -9.856 -20.264 -18.765 1.00 74.13 N ATOM 1296 CA CYS A 84 -9.701 -21.119 -17.595 1.00 4.24 C ATOM 1297 C CYS A 84 -11.028 -21.281 -16.859 1.00 3.53 C ATOM 1298 O CYS A 84 -11.456 -20.389 -16.126 1.00 44.40 O ATOM 1299 CB CYS A 84 -8.648 -20.537 -16.649 1.00 31.12 C ATOM 1300 SG CYS A 84 -6.973 -20.457 -17.360 1.00 24.54 S ATOM 0 H CYS A 84 -10.336 -19.383 -18.582 1.00 74.13 H new ATOM 0 HA CYS A 84 -9.372 -22.101 -17.935 1.00 4.24 H new ATOM 0 HB2 CYS A 84 -8.955 -19.533 -16.355 1.00 31.12 H new ATOM 0 HB3 CYS A 84 -8.617 -21.140 -15.741 1.00 31.12 H new ATOM 1305 N ARG A 85 -11.674 -22.425 -17.059 1.00 45.44 N ATOM 1306 CA ARG A 85 -12.952 -22.703 -16.416 1.00 61.22 C ATOM 1307 C ARG A 85 -12.940 -24.079 -15.757 1.00 74.41 C ATOM 1308 O ARG A 85 -12.324 -25.017 -16.264 1.00 64.42 O ATOM 1309 CB ARG A 85 -14.089 -22.624 -17.437 1.00 25.30 C ATOM 1310 CG ARG A 85 -15.412 -23.162 -16.918 1.00 0.14 C ATOM 1311 CD ARG A 85 -16.423 -23.332 -18.040 1.00 53.14 C ATOM 1312 NE ARG A 85 -17.675 -23.917 -17.566 1.00 43.40 N ATOM 1313 CZ ARG A 85 -17.864 -25.222 -17.411 1.00 65.30 C ATOM 1314 NH1 ARG A 85 -16.887 -26.075 -17.691 1.00 12.50 N ATOM 1315 NH2 ARG A 85 -19.031 -25.678 -16.975 1.00 1.24 N ATOM 0 H ARG A 85 -11.333 -23.174 -17.661 1.00 45.44 H new ATOM 0 HA ARG A 85 -13.114 -21.951 -15.644 1.00 61.22 H new ATOM 0 HB2 ARG A 85 -14.223 -21.585 -17.740 1.00 25.30 H new ATOM 0 HB3 ARG A 85 -13.804 -23.182 -18.329 1.00 25.30 H new ATOM 0 HG2 ARG A 85 -15.248 -24.121 -16.426 1.00 0.14 H new ATOM 0 HG3 ARG A 85 -15.812 -22.482 -16.166 1.00 0.14 H new ATOM 0 HD2 ARG A 85 -16.626 -22.363 -18.495 1.00 53.14 H new ATOM 0 HD3 ARG A 85 -15.998 -23.967 -18.818 1.00 53.14 H new ATOM 0 HE ARG A 85 -18.446 -23.288 -17.342 1.00 43.40 H new ATOM 0 HH11 ARG A 85 -15.988 -25.729 -18.026 1.00 12.50 H new ATOM 0 HH12 ARG A 85 -17.035 -27.077 -17.571 1.00 12.50 H new ATOM 0 HH21 ARG A 85 -19.785 -25.026 -16.758 1.00 1.24 H new ATOM 0 HH22 ARG A 85 -19.175 -26.681 -16.856 1.00 1.24 H new ATOM 1329 N LEU A 86 -13.625 -24.193 -14.625 1.00 13.14 N ATOM 1330 CA LEU A 86 -13.694 -25.454 -13.895 1.00 70.41 C ATOM 1331 C LEU A 86 -14.134 -26.591 -14.813 1.00 2.33 C ATOM 1332 O LEU A 86 -14.897 -26.382 -15.756 1.00 73.02 O ATOM 1333 CB LEU A 86 -14.661 -25.332 -12.716 1.00 60.41 C ATOM 1334 CG LEU A 86 -14.058 -24.834 -11.402 1.00 60.13 C ATOM 1335 CD1 LEU A 86 -15.139 -24.676 -10.345 1.00 33.13 C ATOM 1336 CD2 LEU A 86 -12.972 -25.785 -10.920 1.00 0.54 C ATOM 0 H LEU A 86 -14.141 -23.427 -14.192 1.00 13.14 H new ATOM 0 HA LEU A 86 -12.697 -25.681 -13.517 1.00 70.41 H new ATOM 0 HB2 LEU A 86 -15.467 -24.656 -13.002 1.00 60.41 H new ATOM 0 HB3 LEU A 86 -15.111 -26.309 -12.539 1.00 60.41 H new ATOM 0 HG LEU A 86 -13.606 -23.858 -11.578 1.00 60.13 H new ATOM 0 HD11 LEU A 86 -14.691 -24.321 -9.417 1.00 33.13 H new ATOM 0 HD12 LEU A 86 -15.881 -23.956 -10.689 1.00 33.13 H new ATOM 0 HD13 LEU A 86 -15.621 -25.638 -10.171 1.00 33.13 H new ATOM 0 HD21 LEU A 86 -12.554 -25.415 -9.984 1.00 0.54 H new ATOM 0 HD22 LEU A 86 -13.400 -26.775 -10.760 1.00 0.54 H new ATOM 0 HD23 LEU A 86 -12.184 -25.847 -11.670 1.00 0.54 H new ATOM 1348 N THR A 87 -13.649 -27.795 -14.529 1.00 24.52 N ATOM 1349 CA THR A 87 -13.992 -28.965 -15.327 1.00 61.41 C ATOM 1350 C THR A 87 -14.675 -30.030 -14.477 1.00 31.23 C ATOM 1351 O THR A 87 -14.151 -30.443 -13.443 1.00 64.24 O ATOM 1352 CB THR A 87 -12.745 -29.578 -15.992 1.00 5.23 C ATOM 1353 OG1 THR A 87 -13.095 -30.790 -16.668 1.00 31.43 O ATOM 1354 CG2 THR A 87 -11.665 -29.861 -14.958 1.00 62.23 C ATOM 0 H THR A 87 -13.017 -27.986 -13.752 1.00 24.52 H new ATOM 0 HA THR A 87 -14.679 -28.627 -16.103 1.00 61.41 H new ATOM 0 HB THR A 87 -12.356 -28.860 -16.714 1.00 5.23 H new ATOM 0 HG1 THR A 87 -12.297 -31.172 -17.089 1.00 31.43 H new ATOM 0 HG21 THR A 87 -10.794 -30.293 -15.451 1.00 62.23 H new ATOM 0 HG22 THR A 87 -11.379 -28.931 -14.466 1.00 62.23 H new ATOM 0 HG23 THR A 87 -12.047 -30.562 -14.215 1.00 62.23 H new ATOM 1362 N ASN A 88 -15.848 -30.471 -14.919 1.00 33.20 N ATOM 1363 CA ASN A 88 -16.603 -31.489 -14.198 1.00 34.25 C ATOM 1364 C ASN A 88 -17.117 -30.945 -12.868 1.00 21.32 C ATOM 1365 O ASN A 88 -17.022 -31.608 -11.836 1.00 31.22 O ATOM 1366 CB ASN A 88 -15.732 -32.723 -13.954 1.00 73.33 C ATOM 1367 CG ASN A 88 -16.553 -33.951 -13.608 1.00 3.23 C ATOM 1368 OD1 ASN A 88 -16.618 -34.361 -12.449 1.00 5.23 O ATOM 1369 ND2 ASN A 88 -17.184 -34.544 -14.614 1.00 41.13 N ATOM 0 H ASN A 88 -16.296 -30.139 -15.773 1.00 33.20 H new ATOM 0 HA ASN A 88 -17.459 -31.772 -14.810 1.00 34.25 H new ATOM 0 HB2 ASN A 88 -15.137 -32.926 -14.844 1.00 73.33 H new ATOM 0 HB3 ASN A 88 -15.033 -32.516 -13.144 1.00 73.33 H new ATOM 0 HD21 ASN A 88 -17.751 -35.374 -14.442 1.00 41.13 H new ATOM 0 HD22 ASN A 88 -17.102 -34.169 -15.559 1.00 41.13 H new ATOM 1376 N GLY A 89 -17.662 -29.733 -12.901 1.00 50.12 N ATOM 1377 CA GLY A 89 -18.183 -29.120 -11.693 1.00 60.32 C ATOM 1378 C GLY A 89 -17.198 -29.178 -10.543 1.00 4.52 C ATOM 1379 O GLY A 89 -17.593 -29.179 -9.377 1.00 74.22 O ATOM 0 H GLY A 89 -17.752 -29.164 -13.743 1.00 50.12 H new ATOM 0 HA2 GLY A 89 -18.437 -28.080 -11.898 1.00 60.32 H new ATOM 0 HA3 GLY A 89 -19.106 -29.623 -11.403 1.00 60.32 H new ATOM 1383 N SER A 90 -15.910 -29.226 -10.870 1.00 73.31 N ATOM 1384 CA SER A 90 -14.865 -29.290 -9.855 1.00 14.31 C ATOM 1385 C SER A 90 -15.039 -28.176 -8.826 1.00 61.34 C ATOM 1386 O SER A 90 -15.251 -27.017 -9.181 1.00 12.52 O ATOM 1387 CB SER A 90 -13.485 -29.187 -10.507 1.00 0.04 C ATOM 1388 OG SER A 90 -12.994 -30.467 -10.866 1.00 0.15 O ATOM 0 H SER A 90 -15.565 -29.222 -11.830 1.00 73.31 H new ATOM 0 HA SER A 90 -14.947 -30.249 -9.344 1.00 14.31 H new ATOM 0 HB2 SER A 90 -13.544 -28.555 -11.393 1.00 0.04 H new ATOM 0 HB3 SER A 90 -12.789 -28.707 -9.819 1.00 0.04 H new ATOM 0 HG SER A 90 -13.301 -30.694 -11.768 1.00 0.15 H new ATOM 1394 N ARG A 91 -14.947 -28.538 -7.551 1.00 20.01 N ATOM 1395 CA ARG A 91 -15.095 -27.571 -6.470 1.00 3.00 C ATOM 1396 C ARG A 91 -13.990 -27.744 -5.431 1.00 53.44 C ATOM 1397 O ARG A 91 -13.338 -28.786 -5.371 1.00 61.13 O ATOM 1398 CB ARG A 91 -16.464 -27.723 -5.804 1.00 63.34 C ATOM 1399 CG ARG A 91 -17.542 -26.847 -6.421 1.00 62.44 C ATOM 1400 CD ARG A 91 -17.308 -25.377 -6.114 1.00 11.51 C ATOM 1401 NE ARG A 91 -17.819 -25.005 -4.797 1.00 41.11 N ATOM 1402 CZ ARG A 91 -19.080 -24.655 -4.570 1.00 31.10 C ATOM 1403 NH1 ARG A 91 -19.954 -24.630 -5.566 1.00 53.15 N ATOM 1404 NH2 ARG A 91 -19.469 -24.330 -3.344 1.00 32.23 N ATOM 0 H ARG A 91 -14.771 -29.494 -7.241 1.00 20.01 H new ATOM 0 HA ARG A 91 -15.016 -26.571 -6.897 1.00 3.00 H new ATOM 0 HB2 ARG A 91 -16.775 -28.766 -5.866 1.00 63.34 H new ATOM 0 HB3 ARG A 91 -16.373 -27.481 -4.745 1.00 63.34 H new ATOM 0 HG2 ARG A 91 -17.560 -26.996 -7.501 1.00 62.44 H new ATOM 0 HG3 ARG A 91 -18.518 -27.148 -6.042 1.00 62.44 H new ATOM 0 HD2 ARG A 91 -16.241 -25.162 -6.163 1.00 11.51 H new ATOM 0 HD3 ARG A 91 -17.791 -24.766 -6.876 1.00 11.51 H new ATOM 0 HE ARG A 91 -17.172 -25.015 -4.009 1.00 41.11 H new ATOM 0 HH11 ARG A 91 -19.659 -24.880 -6.510 1.00 53.15 H new ATOM 0 HH12 ARG A 91 -20.922 -24.361 -5.389 1.00 53.15 H new ATOM 0 HH21 ARG A 91 -18.799 -24.349 -2.575 1.00 32.23 H new ATOM 0 HH22 ARG A 91 -20.438 -24.061 -3.171 1.00 32.23 H new ATOM 1418 N TYR A 92 -13.786 -26.715 -4.616 1.00 51.22 N ATOM 1419 CA TYR A 92 -12.759 -26.751 -3.582 1.00 62.31 C ATOM 1420 C TYR A 92 -12.897 -28.003 -2.720 1.00 54.44 C ATOM 1421 O TYR A 92 -13.995 -28.400 -2.330 1.00 31.50 O ATOM 1422 CB TYR A 92 -12.845 -25.502 -2.704 1.00 0.20 C ATOM 1423 CG TYR A 92 -11.678 -25.347 -1.755 1.00 33.23 C ATOM 1424 CD1 TYR A 92 -11.423 -26.300 -0.776 1.00 13.24 C ATOM 1425 CD2 TYR A 92 -10.832 -24.249 -1.836 1.00 3.41 C ATOM 1426 CE1 TYR A 92 -10.359 -26.163 0.094 1.00 11.44 C ATOM 1427 CE2 TYR A 92 -9.764 -24.104 -0.971 1.00 53.01 C ATOM 1428 CZ TYR A 92 -9.532 -25.063 -0.008 1.00 32.34 C ATOM 1429 OH TYR A 92 -8.471 -24.922 0.857 1.00 62.13 O ATOM 0 H TYR A 92 -14.318 -25.846 -4.652 1.00 51.22 H new ATOM 0 HA TYR A 92 -11.786 -26.775 -4.073 1.00 62.31 H new ATOM 0 HB2 TYR A 92 -12.901 -24.621 -3.344 1.00 0.20 H new ATOM 0 HB3 TYR A 92 -13.769 -25.537 -2.127 1.00 0.20 H new ATOM 0 HD1 TYR A 92 -12.068 -27.162 -0.694 1.00 13.24 H new ATOM 0 HD2 TYR A 92 -11.012 -23.495 -2.588 1.00 3.41 H new ATOM 0 HE1 TYR A 92 -10.175 -26.912 0.850 1.00 11.44 H new ATOM 0 HE2 TYR A 92 -9.115 -23.244 -1.049 1.00 53.01 H new ATOM 0 HH TYR A 92 -8.117 -24.010 0.794 1.00 62.13 H new ATOM 1439 N PRO A 93 -11.757 -28.639 -2.415 1.00 44.15 N ATOM 1440 CA PRO A 93 -10.444 -28.175 -2.875 1.00 72.02 C ATOM 1441 C PRO A 93 -10.259 -28.357 -4.378 1.00 3.23 C ATOM 1442 O PRO A 93 -9.444 -27.676 -4.999 1.00 2.03 O ATOM 1443 CB PRO A 93 -9.464 -29.063 -2.104 1.00 52.31 C ATOM 1444 CG PRO A 93 -10.236 -30.299 -1.795 1.00 65.44 C ATOM 1445 CD PRO A 93 -11.660 -29.861 -1.599 1.00 13.51 C ATOM 0 HA PRO A 93 -10.304 -27.109 -2.699 1.00 72.02 H new ATOM 0 HB2 PRO A 93 -8.580 -29.287 -2.700 1.00 52.31 H new ATOM 0 HB3 PRO A 93 -9.119 -28.574 -1.193 1.00 52.31 H new ATOM 0 HG2 PRO A 93 -10.158 -31.021 -2.608 1.00 65.44 H new ATOM 0 HG3 PRO A 93 -9.851 -30.786 -0.899 1.00 65.44 H new ATOM 0 HD2 PRO A 93 -12.364 -30.623 -1.932 1.00 13.51 H new ATOM 0 HD3 PRO A 93 -11.878 -29.662 -0.550 1.00 13.51 H new ATOM 1453 N ASN A 94 -11.021 -29.280 -4.956 1.00 43.40 N ATOM 1454 CA ASN A 94 -10.940 -29.551 -6.387 1.00 3.33 C ATOM 1455 C ASN A 94 -11.217 -28.288 -7.196 1.00 54.33 C ATOM 1456 O ASN A 94 -12.369 -27.882 -7.359 1.00 45.11 O ATOM 1457 CB ASN A 94 -11.932 -30.648 -6.776 1.00 34.00 C ATOM 1458 CG ASN A 94 -12.271 -31.560 -5.613 1.00 33.21 C ATOM 1459 OD1 ASN A 94 -13.256 -31.344 -4.907 1.00 34.22 O ATOM 1460 ND2 ASN A 94 -11.454 -32.586 -5.408 1.00 62.43 N ATOM 0 H ASN A 94 -11.701 -29.853 -4.456 1.00 43.40 H new ATOM 0 HA ASN A 94 -9.928 -29.890 -6.611 1.00 3.33 H new ATOM 0 HB2 ASN A 94 -12.846 -30.190 -7.153 1.00 34.00 H new ATOM 0 HB3 ASN A 94 -11.513 -31.241 -7.589 1.00 34.00 H new ATOM 0 HD21 ASN A 94 -11.631 -33.234 -4.640 1.00 62.43 H new ATOM 0 HD22 ASN A 94 -10.649 -32.727 -6.018 1.00 62.43 H new ATOM 1467 N CYS A 95 -10.155 -27.671 -7.702 1.00 50.54 N ATOM 1468 CA CYS A 95 -10.283 -26.454 -8.495 1.00 44.15 C ATOM 1469 C CYS A 95 -9.761 -26.672 -9.913 1.00 54.41 C ATOM 1470 O CYS A 95 -9.473 -25.716 -10.633 1.00 21.01 O ATOM 1471 CB CYS A 95 -9.521 -25.305 -7.831 1.00 72.02 C ATOM 1472 SG CYS A 95 -10.515 -24.341 -6.648 1.00 11.52 S ATOM 0 H CYS A 95 -9.196 -27.994 -7.577 1.00 50.54 H new ATOM 0 HA CYS A 95 -11.340 -26.196 -8.551 1.00 44.15 H new ATOM 0 HB2 CYS A 95 -8.652 -25.711 -7.313 1.00 72.02 H new ATOM 0 HB3 CYS A 95 -9.147 -24.635 -8.606 1.00 72.02 H new ATOM 1477 N ALA A 96 -9.644 -27.935 -10.307 1.00 21.52 N ATOM 1478 CA ALA A 96 -9.160 -28.279 -11.638 1.00 72.02 C ATOM 1479 C ALA A 96 -9.942 -27.534 -12.715 1.00 62.43 C ATOM 1480 O ALA A 96 -11.150 -27.723 -12.861 1.00 43.44 O ATOM 1481 CB ALA A 96 -9.251 -29.781 -11.861 1.00 62.42 C ATOM 0 H ALA A 96 -9.878 -28.738 -9.723 1.00 21.52 H new ATOM 0 HA ALA A 96 -8.115 -27.975 -11.708 1.00 72.02 H new ATOM 0 HB1 ALA A 96 -8.886 -30.023 -12.859 1.00 62.42 H new ATOM 0 HB2 ALA A 96 -8.643 -30.297 -11.117 1.00 62.42 H new ATOM 0 HB3 ALA A 96 -10.289 -30.101 -11.766 1.00 62.42 H new ATOM 1487 N TYR A 97 -9.246 -26.688 -13.466 1.00 64.33 N ATOM 1488 CA TYR A 97 -9.875 -25.913 -14.528 1.00 55.22 C ATOM 1489 C TYR A 97 -9.532 -26.487 -15.899 1.00 74.33 C ATOM 1490 O TYR A 97 -8.815 -27.482 -16.006 1.00 41.10 O ATOM 1491 CB TYR A 97 -9.434 -24.450 -14.451 1.00 31.32 C ATOM 1492 CG TYR A 97 -9.581 -23.846 -13.073 1.00 12.52 C ATOM 1493 CD1 TYR A 97 -10.823 -23.773 -12.454 1.00 31.24 C ATOM 1494 CD2 TYR A 97 -8.479 -23.346 -12.390 1.00 51.34 C ATOM 1495 CE1 TYR A 97 -10.963 -23.221 -11.195 1.00 4.10 C ATOM 1496 CE2 TYR A 97 -8.609 -22.793 -11.131 1.00 61.11 C ATOM 1497 CZ TYR A 97 -9.853 -22.733 -10.538 1.00 4.23 C ATOM 1498 OH TYR A 97 -9.986 -22.182 -9.284 1.00 13.22 O ATOM 0 H TYR A 97 -8.245 -26.522 -13.359 1.00 64.33 H new ATOM 0 HA TYR A 97 -10.955 -25.968 -14.391 1.00 55.22 H new ATOM 0 HB2 TYR A 97 -8.392 -24.376 -14.762 1.00 31.32 H new ATOM 0 HB3 TYR A 97 -10.020 -23.865 -15.160 1.00 31.32 H new ATOM 0 HD1 TYR A 97 -11.694 -24.154 -12.966 1.00 31.24 H new ATOM 0 HD2 TYR A 97 -7.504 -23.391 -12.852 1.00 51.34 H new ATOM 0 HE1 TYR A 97 -11.936 -23.172 -10.728 1.00 4.10 H new ATOM 0 HE2 TYR A 97 -7.742 -22.410 -10.614 1.00 61.11 H new ATOM 0 HH TYR A 97 -10.273 -22.873 -8.652 1.00 13.22 H new ATOM 1508 N ARG A 98 -10.050 -25.853 -16.946 1.00 12.41 N ATOM 1509 CA ARG A 98 -9.800 -26.300 -18.311 1.00 12.42 C ATOM 1510 C ARG A 98 -9.032 -25.241 -19.097 1.00 74.34 C ATOM 1511 O ARG A 98 -9.588 -24.211 -19.479 1.00 42.43 O ATOM 1512 CB ARG A 98 -11.120 -26.617 -19.016 1.00 51.01 C ATOM 1513 CG ARG A 98 -11.475 -28.095 -19.008 1.00 12.23 C ATOM 1514 CD ARG A 98 -10.992 -28.791 -20.270 1.00 61.03 C ATOM 1515 NE ARG A 98 -11.454 -30.174 -20.344 1.00 30.54 N ATOM 1516 CZ ARG A 98 -10.826 -31.191 -19.763 1.00 43.14 C ATOM 1517 NH1 ARG A 98 -9.715 -30.980 -19.070 1.00 53.44 N ATOM 1518 NH2 ARG A 98 -11.308 -32.422 -19.875 1.00 54.23 N ATOM 0 H ARG A 98 -10.646 -25.028 -16.875 1.00 12.41 H new ATOM 0 HA ARG A 98 -9.194 -27.205 -18.266 1.00 12.42 H new ATOM 0 HB2 ARG A 98 -11.922 -26.057 -18.536 1.00 51.01 H new ATOM 0 HB3 ARG A 98 -11.063 -26.271 -20.048 1.00 51.01 H new ATOM 0 HG2 ARG A 98 -11.030 -28.572 -18.135 1.00 12.23 H new ATOM 0 HG3 ARG A 98 -12.555 -28.210 -18.918 1.00 12.23 H new ATOM 0 HD2 ARG A 98 -11.346 -28.244 -21.144 1.00 61.03 H new ATOM 0 HD3 ARG A 98 -9.903 -28.771 -20.301 1.00 61.03 H new ATOM 0 HE ARG A 98 -12.305 -30.370 -20.870 1.00 30.54 H new ATOM 0 HH11 ARG A 98 -9.341 -30.035 -18.982 1.00 53.44 H new ATOM 0 HH12 ARG A 98 -9.235 -31.762 -18.625 1.00 53.44 H new ATOM 0 HH21 ARG A 98 -12.162 -32.589 -20.408 1.00 54.23 H new ATOM 0 HH22 ARG A 98 -10.825 -33.201 -19.429 1.00 54.23 H new ATOM 1532 N THR A 99 -7.751 -25.503 -19.336 1.00 42.53 N ATOM 1533 CA THR A 99 -6.906 -24.573 -20.075 1.00 52.24 C ATOM 1534 C THR A 99 -7.227 -24.604 -21.565 1.00 62.23 C ATOM 1535 O THR A 99 -6.906 -25.569 -22.259 1.00 20.22 O ATOM 1536 CB THR A 99 -5.412 -24.891 -19.876 1.00 73.35 C ATOM 1537 OG1 THR A 99 -5.167 -25.257 -18.514 1.00 64.21 O ATOM 1538 CG2 THR A 99 -4.550 -23.695 -20.249 1.00 43.00 C ATOM 0 H THR A 99 -7.276 -26.352 -19.029 1.00 42.53 H new ATOM 0 HA THR A 99 -7.113 -23.578 -19.682 1.00 52.24 H new ATOM 0 HB THR A 99 -5.150 -25.724 -20.528 1.00 73.35 H new ATOM 0 HG1 THR A 99 -4.443 -25.916 -18.478 1.00 64.21 H new ATOM 0 HG21 THR A 99 -3.499 -23.943 -20.100 1.00 43.00 H new ATOM 0 HG22 THR A 99 -4.718 -23.438 -21.295 1.00 43.00 H new ATOM 0 HG23 THR A 99 -4.815 -22.845 -19.620 1.00 43.00 H new ATOM 1546 N SER A 100 -7.861 -23.542 -22.052 1.00 21.10 N ATOM 1547 CA SER A 100 -8.228 -23.450 -23.460 1.00 42.22 C ATOM 1548 C SER A 100 -7.463 -22.323 -24.148 1.00 62.22 C ATOM 1549 O SER A 100 -7.811 -21.147 -24.042 1.00 44.00 O ATOM 1550 CB SER A 100 -9.734 -23.220 -23.603 1.00 24.32 C ATOM 1551 OG SER A 100 -10.428 -24.450 -23.720 1.00 50.14 O ATOM 0 H SER A 100 -8.131 -22.733 -21.492 1.00 21.10 H new ATOM 0 HA SER A 100 -7.964 -24.392 -23.941 1.00 42.22 H new ATOM 0 HB2 SER A 100 -10.105 -22.670 -22.738 1.00 24.32 H new ATOM 0 HB3 SER A 100 -9.929 -22.603 -24.480 1.00 24.32 H new ATOM 0 HG SER A 100 -11.388 -24.277 -23.808 1.00 50.14 H new ATOM 1557 N PRO A 101 -6.394 -22.690 -24.871 1.00 74.24 N ATOM 1558 CA PRO A 101 -5.557 -21.726 -25.592 1.00 32.41 C ATOM 1559 C PRO A 101 -6.278 -21.112 -26.787 1.00 61.32 C ATOM 1560 O PRO A 101 -6.789 -21.825 -27.651 1.00 34.54 O ATOM 1561 CB PRO A 101 -4.368 -22.569 -26.060 1.00 33.43 C ATOM 1562 CG PRO A 101 -4.897 -23.960 -26.136 1.00 63.21 C ATOM 1563 CD PRO A 101 -5.922 -24.074 -25.042 1.00 23.42 C ATOM 0 HA PRO A 101 -5.277 -20.880 -24.964 1.00 32.41 H new ATOM 0 HB2 PRO A 101 -4.000 -22.232 -27.029 1.00 33.43 H new ATOM 0 HB3 PRO A 101 -3.534 -22.500 -25.361 1.00 33.43 H new ATOM 0 HG2 PRO A 101 -5.344 -24.155 -27.111 1.00 63.21 H new ATOM 0 HG3 PRO A 101 -4.098 -24.689 -26.000 1.00 63.21 H new ATOM 0 HD2 PRO A 101 -6.735 -24.744 -25.321 1.00 23.42 H new ATOM 0 HD3 PRO A 101 -5.487 -24.467 -24.123 1.00 23.42 H new ATOM 1571 N LYS A 102 -6.315 -19.785 -26.832 1.00 4.21 N ATOM 1572 CA LYS A 102 -6.971 -19.073 -27.922 1.00 71.42 C ATOM 1573 C LYS A 102 -6.510 -17.621 -27.980 1.00 2.43 C ATOM 1574 O LYS A 102 -5.902 -17.116 -27.036 1.00 40.24 O ATOM 1575 CB LYS A 102 -8.491 -19.131 -27.754 1.00 11.42 C ATOM 1576 CG LYS A 102 -9.050 -20.543 -27.755 1.00 14.24 C ATOM 1577 CD LYS A 102 -10.566 -20.542 -27.870 1.00 65.42 C ATOM 1578 CE LYS A 102 -11.153 -21.894 -27.496 1.00 74.41 C ATOM 1579 NZ LYS A 102 -12.589 -22.000 -27.877 1.00 51.51 N ATOM 0 H LYS A 102 -5.898 -19.180 -26.125 1.00 4.21 H new ATOM 0 HA LYS A 102 -6.696 -19.560 -28.858 1.00 71.42 H new ATOM 0 HB2 LYS A 102 -8.764 -18.642 -26.819 1.00 11.42 H new ATOM 0 HB3 LYS A 102 -8.959 -18.564 -28.558 1.00 11.42 H new ATOM 0 HG2 LYS A 102 -8.621 -21.104 -28.585 1.00 14.24 H new ATOM 0 HG3 LYS A 102 -8.754 -21.053 -26.838 1.00 14.24 H new ATOM 0 HD2 LYS A 102 -10.981 -19.771 -27.220 1.00 65.42 H new ATOM 0 HD3 LYS A 102 -10.855 -20.288 -28.890 1.00 65.42 H new ATOM 0 HE2 LYS A 102 -10.587 -22.684 -27.989 1.00 74.41 H new ATOM 0 HE3 LYS A 102 -11.050 -22.050 -26.422 1.00 74.41 H new ATOM 0 HZ1 LYS A 102 -12.952 -22.936 -27.605 1.00 51.51 H new ATOM 0 HZ2 LYS A 102 -13.134 -21.262 -27.387 1.00 51.51 H new ATOM 0 HZ3 LYS A 102 -12.685 -21.876 -28.905 1.00 51.51 H new ATOM 1593 N GLU A 103 -6.804 -16.954 -29.092 1.00 32.42 N ATOM 1594 CA GLU A 103 -6.419 -15.559 -29.270 1.00 73.32 C ATOM 1595 C GLU A 103 -7.559 -14.756 -29.891 1.00 4.33 C ATOM 1596 O GLU A 103 -7.854 -14.892 -31.078 1.00 65.11 O ATOM 1597 CB GLU A 103 -5.172 -15.460 -30.151 1.00 2.24 C ATOM 1598 CG GLU A 103 -5.221 -16.353 -31.379 1.00 23.45 C ATOM 1599 CD GLU A 103 -4.112 -16.048 -32.367 1.00 25.35 C ATOM 1600 OE1 GLU A 103 -3.801 -14.854 -32.558 1.00 43.12 O ATOM 1601 OE2 GLU A 103 -3.555 -17.003 -32.948 1.00 2.12 O ATOM 0 H GLU A 103 -7.307 -17.357 -29.882 1.00 32.42 H new ATOM 0 HA GLU A 103 -6.196 -15.141 -28.288 1.00 73.32 H new ATOM 0 HB2 GLU A 103 -5.044 -14.425 -30.470 1.00 2.24 H new ATOM 0 HB3 GLU A 103 -4.296 -15.721 -29.557 1.00 2.24 H new ATOM 0 HG2 GLU A 103 -5.149 -17.395 -31.069 1.00 23.45 H new ATOM 0 HG3 GLU A 103 -6.185 -16.233 -31.873 1.00 23.45 H new ATOM 1608 N ARG A 104 -8.195 -13.919 -29.078 1.00 53.42 N ATOM 1609 CA ARG A 104 -9.303 -13.094 -29.546 1.00 31.30 C ATOM 1610 C ARG A 104 -9.468 -11.856 -28.669 1.00 61.51 C ATOM 1611 O ARG A 104 -8.910 -11.780 -27.574 1.00 12.12 O ATOM 1612 CB ARG A 104 -10.601 -13.904 -29.553 1.00 53.44 C ATOM 1613 CG ARG A 104 -11.489 -13.620 -30.754 1.00 11.21 C ATOM 1614 CD ARG A 104 -10.988 -14.334 -31.999 1.00 64.21 C ATOM 1615 NE ARG A 104 -11.104 -15.785 -31.882 1.00 31.21 N ATOM 1616 CZ ARG A 104 -10.372 -16.641 -32.587 1.00 1.42 C ATOM 1617 NH1 ARG A 104 -9.475 -16.193 -33.454 1.00 41.53 N ATOM 1618 NH2 ARG A 104 -10.536 -17.947 -32.424 1.00 61.21 N ATOM 0 H ARG A 104 -7.962 -13.794 -28.093 1.00 53.42 H new ATOM 0 HA ARG A 104 -9.079 -12.770 -30.562 1.00 31.30 H new ATOM 0 HB2 ARG A 104 -10.357 -14.966 -29.535 1.00 53.44 H new ATOM 0 HB3 ARG A 104 -11.158 -13.690 -28.641 1.00 53.44 H new ATOM 0 HG2 ARG A 104 -12.509 -13.938 -30.537 1.00 11.21 H new ATOM 0 HG3 ARG A 104 -11.522 -12.546 -30.938 1.00 11.21 H new ATOM 0 HD2 ARG A 104 -11.556 -13.994 -32.865 1.00 64.21 H new ATOM 0 HD3 ARG A 104 -9.946 -14.067 -32.176 1.00 64.21 H new ATOM 0 HE ARG A 104 -11.785 -16.162 -31.223 1.00 31.21 H new ATOM 0 HH11 ARG A 104 -9.346 -15.189 -33.581 1.00 41.53 H new ATOM 0 HH12 ARG A 104 -8.914 -16.852 -33.994 1.00 41.53 H new ATOM 0 HH21 ARG A 104 -11.225 -18.295 -31.757 1.00 61.21 H new ATOM 0 HH22 ARG A 104 -9.974 -18.603 -32.966 1.00 61.21 H new ATOM 1632 N HIS A 105 -10.237 -10.889 -29.158 1.00 42.15 N ATOM 1633 CA HIS A 105 -10.475 -9.654 -28.419 1.00 71.24 C ATOM 1634 C HIS A 105 -10.955 -9.953 -27.002 1.00 74.34 C ATOM 1635 O HIS A 105 -11.281 -11.095 -26.675 1.00 52.14 O ATOM 1636 CB HIS A 105 -11.505 -8.790 -29.148 1.00 2.35 C ATOM 1637 CG HIS A 105 -11.284 -8.714 -30.627 1.00 13.10 C ATOM 1638 ND1 HIS A 105 -10.804 -7.587 -31.260 1.00 14.55 N ATOM 1639 CD2 HIS A 105 -11.479 -9.635 -31.600 1.00 14.15 C ATOM 1640 CE1 HIS A 105 -10.715 -7.817 -32.557 1.00 55.33 C ATOM 1641 NE2 HIS A 105 -11.119 -9.053 -32.790 1.00 3.22 N ATOM 0 H HIS A 105 -10.706 -10.936 -30.063 1.00 42.15 H new ATOM 0 HA HIS A 105 -9.533 -9.109 -28.357 1.00 71.24 H new ATOM 0 HB2 HIS A 105 -12.501 -9.189 -28.958 1.00 2.35 H new ATOM 0 HB3 HIS A 105 -11.481 -7.782 -28.733 1.00 2.35 H new ATOM 0 HD1 HIS A 105 -10.556 -6.712 -30.798 1.00 14.55 H new ATOM 0 HD2 HIS A 105 -11.849 -10.641 -31.465 1.00 14.15 H new ATOM 0 HE1 HIS A 105 -10.370 -7.114 -33.301 1.00 55.33 H new ATOM 1649 N ILE A 106 -10.996 -8.921 -26.166 1.00 64.34 N ATOM 1650 CA ILE A 106 -11.436 -9.074 -24.785 1.00 73.35 C ATOM 1651 C ILE A 106 -12.175 -7.831 -24.303 1.00 40.51 C ATOM 1652 O ILE A 106 -11.937 -6.726 -24.793 1.00 71.10 O ATOM 1653 CB ILE A 106 -10.250 -9.351 -23.843 1.00 42.33 C ATOM 1654 CG1 ILE A 106 -8.942 -8.883 -24.485 1.00 25.54 C ATOM 1655 CG2 ILE A 106 -10.179 -10.831 -23.501 1.00 20.40 C ATOM 1656 CD1 ILE A 106 -7.776 -8.845 -23.521 1.00 71.40 C ATOM 0 H ILE A 106 -10.730 -7.970 -26.421 1.00 64.34 H new ATOM 0 HA ILE A 106 -12.113 -9.928 -24.762 1.00 73.35 H new ATOM 0 HB ILE A 106 -10.400 -8.792 -22.919 1.00 42.33 H new ATOM 0 HG12 ILE A 106 -8.696 -9.546 -25.314 1.00 25.54 H new ATOM 0 HG13 ILE A 106 -9.088 -7.888 -24.905 1.00 25.54 H new ATOM 0 HG21 ILE A 106 -9.335 -11.010 -22.834 1.00 20.40 H new ATOM 0 HG22 ILE A 106 -11.102 -11.135 -23.008 1.00 20.40 H new ATOM 0 HG23 ILE A 106 -10.048 -11.410 -24.415 1.00 20.40 H new ATOM 0 HD11 ILE A 106 -6.882 -8.504 -24.044 1.00 71.40 H new ATOM 0 HD12 ILE A 106 -8.002 -8.160 -22.704 1.00 71.40 H new ATOM 0 HD13 ILE A 106 -7.603 -9.844 -23.120 1.00 71.40 H new ATOM 1668 N ILE A 107 -13.070 -8.017 -23.339 1.00 72.43 N ATOM 1669 CA ILE A 107 -13.841 -6.910 -22.788 1.00 55.05 C ATOM 1670 C ILE A 107 -13.565 -6.735 -21.299 1.00 51.31 C ATOM 1671 O ILE A 107 -13.869 -7.614 -20.493 1.00 3.24 O ATOM 1672 CB ILE A 107 -15.353 -7.118 -22.998 1.00 11.34 C ATOM 1673 CG1 ILE A 107 -15.601 -8.111 -24.135 1.00 50.52 C ATOM 1674 CG2 ILE A 107 -16.035 -5.789 -23.289 1.00 20.23 C ATOM 1675 CD1 ILE A 107 -17.064 -8.425 -24.355 1.00 13.41 C ATOM 0 H ILE A 107 -13.279 -8.925 -22.923 1.00 72.43 H new ATOM 0 HA ILE A 107 -13.529 -6.012 -23.321 1.00 55.05 H new ATOM 0 HB ILE A 107 -15.779 -7.530 -22.083 1.00 11.34 H new ATOM 0 HG12 ILE A 107 -15.182 -7.707 -25.057 1.00 50.52 H new ATOM 0 HG13 ILE A 107 -15.067 -9.037 -23.921 1.00 50.52 H new ATOM 0 HG21 ILE A 107 -17.103 -5.952 -23.435 1.00 20.23 H new ATOM 0 HG22 ILE A 107 -15.883 -5.111 -22.449 1.00 20.23 H new ATOM 0 HG23 ILE A 107 -15.608 -5.351 -24.191 1.00 20.23 H new ATOM 0 HD11 ILE A 107 -17.164 -9.135 -25.176 1.00 13.41 H new ATOM 0 HD12 ILE A 107 -17.484 -8.858 -23.447 1.00 13.41 H new ATOM 0 HD13 ILE A 107 -17.600 -7.508 -24.601 1.00 13.41 H new ATOM 1687 N VAL A 108 -12.988 -5.592 -20.940 1.00 73.03 N ATOM 1688 CA VAL A 108 -12.673 -5.299 -19.547 1.00 74.12 C ATOM 1689 C VAL A 108 -13.235 -3.945 -19.130 1.00 1.51 C ATOM 1690 O VAL A 108 -13.548 -3.105 -19.973 1.00 53.30 O ATOM 1691 CB VAL A 108 -11.153 -5.310 -19.301 1.00 60.12 C ATOM 1692 CG1 VAL A 108 -10.686 -6.703 -18.907 1.00 3.11 C ATOM 1693 CG2 VAL A 108 -10.411 -4.819 -20.535 1.00 4.13 C ATOM 0 H VAL A 108 -12.729 -4.854 -21.595 1.00 73.03 H new ATOM 0 HA VAL A 108 -13.136 -6.082 -18.946 1.00 74.12 H new ATOM 0 HB VAL A 108 -10.930 -4.632 -18.477 1.00 60.12 H new ATOM 0 HG11 VAL A 108 -9.609 -6.691 -18.737 1.00 3.11 H new ATOM 0 HG12 VAL A 108 -11.194 -7.012 -17.994 1.00 3.11 H new ATOM 0 HG13 VAL A 108 -10.919 -7.405 -19.707 1.00 3.11 H new ATOM 0 HG21 VAL A 108 -9.338 -4.833 -20.344 1.00 4.13 H new ATOM 0 HG22 VAL A 108 -10.638 -5.470 -21.379 1.00 4.13 H new ATOM 0 HG23 VAL A 108 -10.725 -3.801 -20.767 1.00 4.13 H new ATOM 1703 N ALA A 109 -13.359 -3.739 -17.823 1.00 10.22 N ATOM 1704 CA ALA A 109 -13.880 -2.485 -17.293 1.00 34.11 C ATOM 1705 C ALA A 109 -12.777 -1.668 -16.629 1.00 62.33 C ATOM 1706 O ALA A 109 -12.374 -1.952 -15.501 1.00 3.32 O ATOM 1707 CB ALA A 109 -15.005 -2.757 -16.305 1.00 53.20 C ATOM 0 H ALA A 109 -13.106 -4.425 -17.112 1.00 10.22 H new ATOM 0 HA ALA A 109 -14.275 -1.904 -18.126 1.00 34.11 H new ATOM 0 HB1 ALA A 109 -15.385 -1.812 -15.917 1.00 53.20 H new ATOM 0 HB2 ALA A 109 -15.810 -3.292 -16.809 1.00 53.20 H new ATOM 0 HB3 ALA A 109 -14.627 -3.362 -15.481 1.00 53.20 H new ATOM 1713 N CYS A 110 -12.291 -0.654 -17.337 1.00 11.12 N ATOM 1714 CA CYS A 110 -11.233 0.204 -16.817 1.00 62.15 C ATOM 1715 C CYS A 110 -11.816 1.464 -16.183 1.00 63.44 C ATOM 1716 O CYS A 110 -12.934 1.868 -16.499 1.00 33.03 O ATOM 1717 CB CYS A 110 -10.262 0.585 -17.936 1.00 43.54 C ATOM 1718 SG CYS A 110 -11.004 0.579 -19.600 1.00 33.11 S ATOM 0 H CYS A 110 -12.613 -0.406 -18.273 1.00 11.12 H new ATOM 0 HA CYS A 110 -10.693 -0.351 -16.049 1.00 62.15 H new ATOM 0 HB2 CYS A 110 -9.861 1.578 -17.732 1.00 43.54 H new ATOM 0 HB3 CYS A 110 -9.420 -0.107 -17.923 1.00 43.54 H new ATOM 1723 N GLU A 111 -11.049 2.078 -15.289 1.00 4.45 N ATOM 1724 CA GLU A 111 -11.490 3.292 -14.610 1.00 65.51 C ATOM 1725 C GLU A 111 -10.331 3.951 -13.867 1.00 52.01 C ATOM 1726 O GLU A 111 -9.244 3.385 -13.762 1.00 40.04 O ATOM 1727 CB GLU A 111 -12.622 2.972 -13.632 1.00 2.43 C ATOM 1728 CG GLU A 111 -13.607 4.115 -13.447 1.00 62.42 C ATOM 1729 CD GLU A 111 -13.258 5.000 -12.267 1.00 14.42 C ATOM 1730 OE1 GLU A 111 -12.945 4.454 -11.188 1.00 44.33 O ATOM 1731 OE2 GLU A 111 -13.300 6.239 -12.421 1.00 62.21 O ATOM 0 H GLU A 111 -10.120 1.756 -15.017 1.00 4.45 H new ATOM 0 HA GLU A 111 -11.857 3.988 -15.364 1.00 65.51 H new ATOM 0 HB2 GLU A 111 -13.160 2.093 -13.987 1.00 2.43 H new ATOM 0 HB3 GLU A 111 -12.193 2.713 -12.664 1.00 2.43 H new ATOM 0 HG2 GLU A 111 -13.632 4.719 -14.354 1.00 62.42 H new ATOM 0 HG3 GLU A 111 -14.608 3.708 -13.307 1.00 62.42 H new ATOM 1738 N GLY A 112 -10.573 5.153 -13.353 1.00 14.11 N ATOM 1739 CA GLY A 112 -9.542 5.871 -12.627 1.00 61.01 C ATOM 1740 C GLY A 112 -8.490 6.460 -13.546 1.00 1.13 C ATOM 1741 O GLY A 112 -8.450 6.148 -14.736 1.00 13.42 O ATOM 0 H GLY A 112 -11.465 5.642 -13.427 1.00 14.11 H new ATOM 0 HA2 GLY A 112 -10.001 6.671 -12.046 1.00 61.01 H new ATOM 0 HA3 GLY A 112 -9.064 5.195 -11.918 1.00 61.01 H new ATOM 1745 N SER A 113 -7.636 7.316 -12.993 1.00 20.21 N ATOM 1746 CA SER A 113 -6.582 7.955 -13.772 1.00 61.41 C ATOM 1747 C SER A 113 -5.207 7.450 -13.343 1.00 75.35 C ATOM 1748 O SER A 113 -4.843 7.486 -12.168 1.00 13.10 O ATOM 1749 CB SER A 113 -6.651 9.475 -13.614 1.00 34.32 C ATOM 1750 OG SER A 113 -5.666 10.116 -14.405 1.00 25.53 O ATOM 0 H SER A 113 -7.654 7.583 -12.009 1.00 20.21 H new ATOM 0 HA SER A 113 -6.734 7.699 -14.821 1.00 61.41 H new ATOM 0 HB2 SER A 113 -7.641 9.829 -13.903 1.00 34.32 H new ATOM 0 HB3 SER A 113 -6.510 9.741 -12.566 1.00 34.32 H new ATOM 0 HG SER A 113 -5.733 11.087 -14.287 1.00 25.53 H new ATOM 1756 N PRO A 114 -4.425 6.966 -14.320 1.00 2.44 N ATOM 1757 CA PRO A 114 -4.848 6.918 -15.722 1.00 63.43 C ATOM 1758 C PRO A 114 -5.948 5.889 -15.961 1.00 24.33 C ATOM 1759 O PRO A 114 -6.313 5.136 -15.058 1.00 21.33 O ATOM 1760 CB PRO A 114 -3.570 6.516 -16.464 1.00 53.43 C ATOM 1761 CG PRO A 114 -2.758 5.785 -15.452 1.00 32.00 C ATOM 1762 CD PRO A 114 -3.067 6.430 -14.129 1.00 62.30 C ATOM 0 HA PRO A 114 -5.270 7.867 -16.053 1.00 63.43 H new ATOM 0 HB2 PRO A 114 -3.794 5.884 -17.324 1.00 53.43 H new ATOM 0 HB3 PRO A 114 -3.039 7.390 -16.841 1.00 53.43 H new ATOM 0 HG2 PRO A 114 -3.013 4.725 -15.439 1.00 32.00 H new ATOM 0 HG3 PRO A 114 -1.695 5.854 -15.681 1.00 32.00 H new ATOM 0 HD2 PRO A 114 -3.031 5.709 -13.312 1.00 62.30 H new ATOM 0 HD3 PRO A 114 -2.354 7.219 -13.890 1.00 62.30 H new ATOM 1770 N TYR A 115 -6.471 5.862 -17.181 1.00 74.41 N ATOM 1771 CA TYR A 115 -7.531 4.926 -17.537 1.00 73.13 C ATOM 1772 C TYR A 115 -6.966 3.530 -17.781 1.00 73.23 C ATOM 1773 O TYR A 115 -6.397 3.253 -18.837 1.00 50.42 O ATOM 1774 CB TYR A 115 -8.273 5.413 -18.783 1.00 61.03 C ATOM 1775 CG TYR A 115 -9.768 5.531 -18.591 1.00 1.34 C ATOM 1776 CD1 TYR A 115 -10.301 5.940 -17.374 1.00 41.54 C ATOM 1777 CD2 TYR A 115 -10.647 5.233 -19.624 1.00 13.10 C ATOM 1778 CE1 TYR A 115 -11.666 6.049 -17.193 1.00 52.43 C ATOM 1779 CE2 TYR A 115 -12.014 5.341 -19.452 1.00 62.44 C ATOM 1780 CZ TYR A 115 -12.518 5.749 -18.235 1.00 74.14 C ATOM 1781 OH TYR A 115 -13.879 5.856 -18.060 1.00 70.11 O ATOM 0 H TYR A 115 -6.179 6.477 -17.940 1.00 74.41 H new ATOM 0 HA TYR A 115 -8.230 4.874 -16.703 1.00 73.13 H new ATOM 0 HB2 TYR A 115 -7.875 6.385 -19.076 1.00 61.03 H new ATOM 0 HB3 TYR A 115 -8.074 4.726 -19.606 1.00 61.03 H new ATOM 0 HD1 TYR A 115 -9.637 6.177 -16.556 1.00 41.54 H new ATOM 0 HD2 TYR A 115 -10.256 4.911 -20.578 1.00 13.10 H new ATOM 0 HE1 TYR A 115 -12.064 6.367 -16.241 1.00 52.43 H new ATOM 0 HE2 TYR A 115 -12.684 5.107 -20.266 1.00 62.44 H new ATOM 0 HH TYR A 115 -14.327 5.118 -18.523 1.00 70.11 H new ATOM 1791 N VAL A 116 -7.129 2.652 -16.796 1.00 42.31 N ATOM 1792 CA VAL A 116 -6.637 1.284 -16.902 1.00 73.25 C ATOM 1793 C VAL A 116 -7.705 0.282 -16.477 1.00 61.13 C ATOM 1794 O VAL A 116 -8.633 0.604 -15.735 1.00 20.50 O ATOM 1795 CB VAL A 116 -5.378 1.071 -16.042 1.00 44.30 C ATOM 1796 CG1 VAL A 116 -4.625 2.381 -15.865 1.00 3.03 C ATOM 1797 CG2 VAL A 116 -5.749 0.473 -14.693 1.00 42.34 C ATOM 0 H VAL A 116 -7.598 2.864 -15.916 1.00 42.31 H new ATOM 0 HA VAL A 116 -6.384 1.119 -17.949 1.00 73.25 H new ATOM 0 HB VAL A 116 -4.722 0.369 -16.556 1.00 44.30 H new ATOM 0 HG11 VAL A 116 -3.738 2.211 -15.255 1.00 3.03 H new ATOM 0 HG12 VAL A 116 -4.326 2.764 -16.841 1.00 3.03 H new ATOM 0 HG13 VAL A 116 -5.271 3.108 -15.373 1.00 3.03 H new ATOM 0 HG21 VAL A 116 -4.847 0.329 -14.098 1.00 42.34 H new ATOM 0 HG22 VAL A 116 -6.425 1.149 -14.169 1.00 42.34 H new ATOM 0 HG23 VAL A 116 -6.241 -0.488 -14.844 1.00 42.34 H new ATOM 1807 N PRO A 117 -7.572 -0.963 -16.957 1.00 72.54 N ATOM 1808 CA PRO A 117 -8.516 -2.039 -16.639 1.00 70.14 C ATOM 1809 C PRO A 117 -8.418 -2.485 -15.184 1.00 55.43 C ATOM 1810 O PRO A 117 -7.354 -2.894 -14.720 1.00 14.01 O ATOM 1811 CB PRO A 117 -8.090 -3.173 -17.575 1.00 51.15 C ATOM 1812 CG PRO A 117 -6.650 -2.913 -17.855 1.00 11.31 C ATOM 1813 CD PRO A 117 -6.490 -1.418 -17.847 1.00 54.42 C ATOM 0 HA PRO A 117 -9.551 -1.725 -16.771 1.00 70.14 H new ATOM 0 HB2 PRO A 117 -8.233 -4.147 -17.107 1.00 51.15 H new ATOM 0 HB3 PRO A 117 -8.678 -3.171 -18.493 1.00 51.15 H new ATOM 0 HG2 PRO A 117 -6.016 -3.377 -17.100 1.00 11.31 H new ATOM 0 HG3 PRO A 117 -6.358 -3.332 -18.818 1.00 11.31 H new ATOM 0 HD2 PRO A 117 -5.510 -1.121 -17.473 1.00 54.42 H new ATOM 0 HD3 PRO A 117 -6.590 -0.998 -18.848 1.00 54.42 H new ATOM 1821 N VAL A 118 -9.536 -2.403 -14.469 1.00 2.31 N ATOM 1822 CA VAL A 118 -9.576 -2.799 -13.066 1.00 74.14 C ATOM 1823 C VAL A 118 -10.542 -3.959 -12.851 1.00 10.01 C ATOM 1824 O VAL A 118 -10.768 -4.391 -11.720 1.00 62.21 O ATOM 1825 CB VAL A 118 -9.993 -1.624 -12.163 1.00 14.43 C ATOM 1826 CG1 VAL A 118 -9.045 -0.448 -12.343 1.00 63.52 C ATOM 1827 CG2 VAL A 118 -11.428 -1.211 -12.454 1.00 52.14 C ATOM 0 H VAL A 118 -10.425 -2.066 -14.838 1.00 2.31 H new ATOM 0 HA VAL A 118 -8.568 -3.114 -12.796 1.00 74.14 H new ATOM 0 HB VAL A 118 -9.936 -1.950 -11.124 1.00 14.43 H new ATOM 0 HG11 VAL A 118 -9.356 0.373 -11.697 1.00 63.52 H new ATOM 0 HG12 VAL A 118 -8.032 -0.753 -12.080 1.00 63.52 H new ATOM 0 HG13 VAL A 118 -9.066 -0.119 -13.382 1.00 63.52 H new ATOM 0 HG21 VAL A 118 -11.706 -0.379 -11.807 1.00 52.14 H new ATOM 0 HG22 VAL A 118 -11.514 -0.904 -13.496 1.00 52.14 H new ATOM 0 HG23 VAL A 118 -12.094 -2.054 -12.268 1.00 52.14 H new ATOM 1837 N HIS A 119 -11.110 -4.460 -13.943 1.00 42.05 N ATOM 1838 CA HIS A 119 -12.051 -5.572 -13.874 1.00 53.15 C ATOM 1839 C HIS A 119 -12.136 -6.296 -15.215 1.00 23.34 C ATOM 1840 O HIS A 119 -12.179 -5.666 -16.271 1.00 44.41 O ATOM 1841 CB HIS A 119 -13.436 -5.070 -13.465 1.00 33.34 C ATOM 1842 CG HIS A 119 -14.560 -5.814 -14.118 1.00 12.10 C ATOM 1843 ND1 HIS A 119 -15.508 -6.520 -13.408 1.00 72.53 N ATOM 1844 CD2 HIS A 119 -14.886 -5.957 -15.424 1.00 30.11 C ATOM 1845 CE1 HIS A 119 -16.367 -7.068 -14.250 1.00 14.55 C ATOM 1846 NE2 HIS A 119 -16.013 -6.740 -15.479 1.00 65.50 N ATOM 0 H HIS A 119 -10.935 -4.114 -14.886 1.00 42.05 H new ATOM 0 HA HIS A 119 -11.690 -6.275 -13.123 1.00 53.15 H new ATOM 0 HB2 HIS A 119 -13.538 -5.151 -12.383 1.00 33.34 H new ATOM 0 HB3 HIS A 119 -13.518 -4.012 -13.714 1.00 33.34 H new ATOM 0 HD2 HIS A 119 -14.358 -5.534 -16.266 1.00 30.11 H new ATOM 0 HE1 HIS A 119 -17.214 -7.680 -13.979 1.00 14.55 H new ATOM 0 HE2 HIS A 119 -16.498 -7.022 -16.331 1.00 65.50 H new ATOM 1854 N PHE A 120 -12.158 -7.624 -15.164 1.00 33.04 N ATOM 1855 CA PHE A 120 -12.236 -8.434 -16.374 1.00 24.34 C ATOM 1856 C PHE A 120 -13.632 -9.025 -16.544 1.00 52.23 C ATOM 1857 O PHE A 120 -14.197 -9.592 -15.609 1.00 1.34 O ATOM 1858 CB PHE A 120 -11.197 -9.557 -16.328 1.00 40.02 C ATOM 1859 CG PHE A 120 -10.673 -9.944 -17.682 1.00 3.54 C ATOM 1860 CD1 PHE A 120 -11.501 -10.548 -18.613 1.00 52.24 C ATOM 1861 CD2 PHE A 120 -9.352 -9.702 -18.022 1.00 64.23 C ATOM 1862 CE1 PHE A 120 -11.021 -10.905 -19.859 1.00 60.21 C ATOM 1863 CE2 PHE A 120 -8.866 -10.057 -19.267 1.00 3.03 C ATOM 1864 CZ PHE A 120 -9.702 -10.658 -20.187 1.00 30.44 C ATOM 0 H PHE A 120 -12.123 -8.162 -14.298 1.00 33.04 H new ATOM 0 HA PHE A 120 -12.027 -7.789 -17.228 1.00 24.34 H new ATOM 0 HB2 PHE A 120 -10.363 -9.244 -15.700 1.00 40.02 H new ATOM 0 HB3 PHE A 120 -11.641 -10.433 -15.855 1.00 40.02 H new ATOM 0 HD1 PHE A 120 -12.533 -10.742 -18.363 1.00 52.24 H new ATOM 0 HD2 PHE A 120 -8.694 -9.231 -17.307 1.00 64.23 H new ATOM 0 HE1 PHE A 120 -11.677 -11.377 -20.576 1.00 60.21 H new ATOM 0 HE2 PHE A 120 -7.834 -9.864 -19.519 1.00 3.03 H new ATOM 0 HZ PHE A 120 -9.326 -10.934 -21.161 1.00 30.44 H new ATOM 1874 N ASP A 121 -14.183 -8.887 -17.745 1.00 54.01 N ATOM 1875 CA ASP A 121 -15.514 -9.407 -18.040 1.00 44.21 C ATOM 1876 C ASP A 121 -15.426 -10.760 -18.738 1.00 24.51 C ATOM 1877 O ASP A 121 -15.682 -11.800 -18.132 1.00 21.15 O ATOM 1878 CB ASP A 121 -16.289 -8.418 -18.913 1.00 64.51 C ATOM 1879 CG ASP A 121 -17.741 -8.815 -19.087 1.00 35.15 C ATOM 1880 OD1 ASP A 121 -18.007 -9.793 -19.817 1.00 42.11 O ATOM 1881 OD2 ASP A 121 -18.613 -8.148 -18.491 1.00 72.31 O ATOM 0 H ASP A 121 -13.729 -8.420 -18.530 1.00 54.01 H new ATOM 0 HA ASP A 121 -16.043 -9.539 -17.096 1.00 44.21 H new ATOM 0 HB2 ASP A 121 -16.238 -7.425 -18.466 1.00 64.51 H new ATOM 0 HB3 ASP A 121 -15.814 -8.352 -19.892 1.00 64.51 H new ATOM 1886 N ALA A 122 -15.063 -10.739 -20.016 1.00 64.12 N ATOM 1887 CA ALA A 122 -14.940 -11.964 -20.796 1.00 60.41 C ATOM 1888 C ALA A 122 -14.330 -11.685 -22.165 1.00 42.24 C ATOM 1889 O ALA A 122 -14.231 -10.533 -22.588 1.00 3.11 O ATOM 1890 CB ALA A 122 -16.299 -12.632 -20.948 1.00 1.41 C ATOM 0 H ALA A 122 -14.849 -9.886 -20.533 1.00 64.12 H new ATOM 0 HA ALA A 122 -14.273 -12.640 -20.261 1.00 60.41 H new ATOM 0 HB1 ALA A 122 -16.192 -13.546 -21.533 1.00 1.41 H new ATOM 0 HB2 ALA A 122 -16.697 -12.876 -19.963 1.00 1.41 H new ATOM 0 HB3 ALA A 122 -16.983 -11.953 -21.457 1.00 1.41 H new ATOM 1896 N SER A 123 -13.922 -12.746 -22.854 1.00 44.10 N ATOM 1897 CA SER A 123 -13.317 -12.614 -24.174 1.00 43.13 C ATOM 1898 C SER A 123 -14.388 -12.534 -25.257 1.00 74.13 C ATOM 1899 O SER A 123 -15.524 -12.963 -25.056 1.00 34.43 O ATOM 1900 CB SER A 123 -12.383 -13.794 -24.451 1.00 2.41 C ATOM 1901 OG SER A 123 -12.975 -15.018 -24.052 1.00 53.50 O ATOM 0 H SER A 123 -13.999 -13.707 -22.520 1.00 44.10 H new ATOM 0 HA SER A 123 -12.739 -11.690 -24.190 1.00 43.13 H new ATOM 0 HB2 SER A 123 -12.145 -13.831 -25.514 1.00 2.41 H new ATOM 0 HB3 SER A 123 -11.443 -13.650 -23.918 1.00 2.41 H new ATOM 0 HG SER A 123 -12.359 -15.756 -24.241 1.00 53.50 H new ATOM 1907 N VAL A 124 -14.018 -11.981 -26.408 1.00 0.11 N ATOM 1908 CA VAL A 124 -14.946 -11.845 -27.524 1.00 43.24 C ATOM 1909 C VAL A 124 -14.622 -12.841 -28.632 1.00 52.12 C ATOM 1910 O VAL A 124 -13.589 -13.508 -28.598 1.00 4.41 O ATOM 1911 CB VAL A 124 -14.918 -10.419 -28.107 1.00 21.13 C ATOM 1912 CG1 VAL A 124 -16.212 -10.120 -28.849 1.00 4.13 C ATOM 1913 CG2 VAL A 124 -14.678 -9.399 -27.005 1.00 5.55 C ATOM 0 H VAL A 124 -13.082 -11.620 -26.592 1.00 0.11 H new ATOM 0 HA VAL A 124 -15.943 -12.051 -27.134 1.00 43.24 H new ATOM 0 HB VAL A 124 -14.095 -10.352 -28.819 1.00 21.13 H new ATOM 0 HG11 VAL A 124 -16.174 -9.109 -29.254 1.00 4.13 H new ATOM 0 HG12 VAL A 124 -16.337 -10.833 -29.664 1.00 4.13 H new ATOM 0 HG13 VAL A 124 -17.054 -10.204 -28.161 1.00 4.13 H new ATOM 0 HG21 VAL A 124 -14.661 -8.397 -27.434 1.00 5.55 H new ATOM 0 HG22 VAL A 124 -15.478 -9.465 -26.268 1.00 5.55 H new ATOM 0 HG23 VAL A 124 -13.722 -9.603 -26.522 1.00 5.55 H new ATOM 1923 N GLU A 125 -15.513 -12.936 -29.614 1.00 53.32 N ATOM 1924 CA GLU A 125 -15.322 -13.851 -30.733 1.00 21.32 C ATOM 1925 C GLU A 125 -14.744 -13.120 -31.941 1.00 74.45 C ATOM 1926 O GLU A 125 -13.598 -13.349 -32.329 1.00 54.32 O ATOM 1927 CB GLU A 125 -16.648 -14.515 -31.110 1.00 61.11 C ATOM 1928 CG GLU A 125 -16.953 -15.767 -30.304 1.00 40.43 C ATOM 1929 CD GLU A 125 -17.467 -15.453 -28.912 1.00 60.55 C ATOM 1930 OE1 GLU A 125 -18.080 -14.381 -28.733 1.00 40.42 O ATOM 1931 OE2 GLU A 125 -17.256 -16.283 -28.002 1.00 50.54 O ATOM 0 H GLU A 125 -16.374 -12.391 -29.657 1.00 53.32 H new ATOM 0 HA GLU A 125 -14.614 -14.620 -30.423 1.00 21.32 H new ATOM 0 HB2 GLU A 125 -17.457 -13.797 -30.970 1.00 61.11 H new ATOM 0 HB3 GLU A 125 -16.628 -14.771 -32.169 1.00 61.11 H new ATOM 0 HG2 GLU A 125 -17.694 -16.365 -30.835 1.00 40.43 H new ATOM 0 HG3 GLU A 125 -16.051 -16.373 -30.226 1.00 40.43 H new