USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 53 GLN : amide:sc= 0.735 X(o=-2.9,f=-2.7) USER MOD Set 1.2: A 69 GLN : amide:sc= -3.61! C(o=-2.9!,f=-2.7!) USER MOD Set 2.1: A 27 HIS : no HE2:sc= -5.64! C(o=-10!,f=-15!) USER MOD Set 2.2: A 106 MET CE :methyl -169:sc= -4.43! (180deg=-5.18!) USER MOD Single : A 0 SER N :NH3+ -176:sc= -1.32 (180deg=-1.44) USER MOD Single : A 0 SER OG : rot 60:sc= 0.899 USER MOD Single : A 1 MET CE :methyl -153:sc=-0.00553 (180deg=-1.45) USER MOD Single : A 5 SER OG : rot 92:sc= -0.296 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -6:sc= 0.672 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -0.0222 (180deg=-0.286) USER MOD Single : A 24 SER OG : rot -58:sc= -0.475 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.0448 (180deg=0.00208) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= 0.917 (180deg=-0.966!) USER MOD Single : A 34 CYS SG : rot 5:sc= -4.67! USER MOD Single : A 37 SER OG : rot 62:sc= 0.266 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -6.13! (180deg=-7.09!) USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -1.27 (180deg=-3.02!) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0.727 (180deg=0.539) USER MOD Single : A 56 SER OG : rot -83:sc= 0.357 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -18.9! C(o=-19!,f=-24!) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.424 (180deg=-1.34!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 83 THR OG1 : rot 96:sc= -4.29! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.212) USER MOD Single : A 92 SER OG : rot -36:sc= 0.603 USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= 0.0826 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 2.055 -0.343 -0.202 1.00 54.05 N ATOM 2 CA SER A 0 2.921 0.104 -1.280 1.00 61.50 C ATOM 3 C SER A 0 3.973 -0.965 -1.583 1.00 21.44 C ATOM 4 O SER A 0 5.170 -0.721 -1.441 1.00 43.15 O ATOM 5 CB SER A 0 3.598 1.430 -0.929 1.00 31.12 C ATOM 6 OG SER A 0 4.575 1.275 0.097 1.00 44.34 O ATOM 0 H1 SER A 0 1.302 0.358 -0.048 1.00 54.05 H new ATOM 0 H2 SER A 0 1.630 -1.258 -0.455 1.00 54.05 H new ATOM 0 H3 SER A 0 2.612 -0.450 0.670 1.00 54.05 H new ATOM 0 HA SER A 0 2.308 0.264 -2.167 1.00 61.50 H new ATOM 0 HB2 SER A 0 4.070 1.843 -1.820 1.00 31.12 H new ATOM 0 HB3 SER A 0 2.844 2.148 -0.606 1.00 31.12 H new ATOM 0 HG SER A 0 5.265 0.647 -0.201 1.00 44.34 H new ATOM 12 N MET A 1 3.488 -2.128 -1.993 1.00 51.02 N ATOM 13 CA MET A 1 4.371 -3.235 -2.317 1.00 24.21 C ATOM 14 C MET A 1 5.444 -3.414 -1.240 1.00 74.12 C ATOM 15 O MET A 1 6.615 -3.621 -1.554 1.00 11.22 O ATOM 16 CB MET A 1 5.042 -2.975 -3.667 1.00 60.43 C ATOM 17 CG MET A 1 5.509 -4.284 -4.308 1.00 42.11 C ATOM 18 SD MET A 1 6.825 -3.959 -5.469 1.00 65.22 S ATOM 19 CE MET A 1 5.992 -2.834 -6.576 1.00 52.10 C ATOM 0 H MET A 1 2.494 -2.327 -2.108 1.00 51.02 H new ATOM 0 HA MET A 1 3.776 -4.147 -2.366 1.00 24.21 H new ATOM 0 HB2 MET A 1 4.343 -2.469 -4.333 1.00 60.43 H new ATOM 0 HB3 MET A 1 5.893 -2.308 -3.532 1.00 60.43 H new ATOM 0 HG2 MET A 1 5.855 -4.973 -3.537 1.00 42.11 H new ATOM 0 HG3 MET A 1 4.675 -4.767 -4.817 1.00 42.11 H new ATOM 0 HE1 MET A 1 6.442 -2.898 -7.567 1.00 52.10 H new ATOM 0 HE2 MET A 1 4.937 -3.100 -6.639 1.00 52.10 H new ATOM 0 HE3 MET A 1 6.087 -1.816 -6.199 1.00 52.10 H new ATOM 29 N ALA A 2 5.005 -3.328 0.007 1.00 73.11 N ATOM 30 CA ALA A 2 5.912 -3.478 1.132 1.00 42.12 C ATOM 31 C ALA A 2 6.373 -4.934 1.219 1.00 64.10 C ATOM 32 O ALA A 2 7.479 -5.212 1.680 1.00 64.11 O ATOM 33 CB ALA A 2 5.220 -3.008 2.413 1.00 52.24 C ATOM 0 H ALA A 2 4.033 -3.156 0.263 1.00 73.11 H new ATOM 0 HA ALA A 2 6.799 -2.859 0.995 1.00 42.12 H new ATOM 0 HB1 ALA A 2 5.901 -3.121 3.257 1.00 52.24 H new ATOM 0 HB2 ALA A 2 4.939 -1.960 2.311 1.00 52.24 H new ATOM 0 HB3 ALA A 2 4.327 -3.608 2.585 1.00 52.24 H new ATOM 39 N PHE A 3 5.502 -5.825 0.769 1.00 63.20 N ATOM 40 CA PHE A 3 5.806 -7.246 0.790 1.00 4.14 C ATOM 41 C PHE A 3 6.949 -7.577 -0.172 1.00 51.31 C ATOM 42 O PHE A 3 7.453 -8.698 -0.180 1.00 64.51 O ATOM 43 CB PHE A 3 4.544 -7.980 0.336 1.00 74.42 C ATOM 44 CG PHE A 3 3.696 -8.531 1.485 1.00 65.22 C ATOM 45 CD1 PHE A 3 2.713 -7.767 2.031 1.00 31.23 C ATOM 46 CD2 PHE A 3 3.927 -9.785 1.960 1.00 41.54 C ATOM 47 CE1 PHE A 3 1.927 -8.278 3.098 1.00 72.34 C ATOM 48 CE2 PHE A 3 3.141 -10.296 3.026 1.00 50.40 C ATOM 49 CZ PHE A 3 2.157 -9.532 3.572 1.00 4.35 C ATOM 0 H PHE A 3 4.586 -5.591 0.388 1.00 63.20 H new ATOM 0 HA PHE A 3 6.113 -7.546 1.792 1.00 4.14 H new ATOM 0 HB2 PHE A 3 3.934 -7.299 -0.258 1.00 74.42 H new ATOM 0 HB3 PHE A 3 4.831 -8.804 -0.318 1.00 74.42 H new ATOM 0 HD1 PHE A 3 2.530 -6.772 1.654 1.00 31.23 H new ATOM 0 HD2 PHE A 3 4.708 -10.391 1.526 1.00 41.54 H new ATOM 0 HE1 PHE A 3 1.147 -7.671 3.533 1.00 72.34 H new ATOM 0 HE2 PHE A 3 3.324 -11.291 3.403 1.00 50.40 H new ATOM 0 HZ PHE A 3 1.558 -9.921 4.382 1.00 4.35 H new ATOM 59 N ALA A 4 7.323 -6.580 -0.960 1.00 45.22 N ATOM 60 CA ALA A 4 8.397 -6.751 -1.924 1.00 40.34 C ATOM 61 C ALA A 4 9.604 -7.384 -1.230 1.00 22.30 C ATOM 62 O ALA A 4 9.848 -7.134 -0.051 1.00 25.13 O ATOM 63 CB ALA A 4 8.733 -5.400 -2.560 1.00 34.01 C ATOM 0 H ALA A 4 6.902 -5.651 -0.951 1.00 45.22 H new ATOM 0 HA ALA A 4 8.089 -7.422 -2.726 1.00 40.34 H new ATOM 0 HB1 ALA A 4 9.539 -5.528 -3.283 1.00 34.01 H new ATOM 0 HB2 ALA A 4 7.851 -5.006 -3.065 1.00 34.01 H new ATOM 0 HB3 ALA A 4 9.049 -4.702 -1.785 1.00 34.01 H new ATOM 69 N SER A 5 10.327 -8.193 -1.991 1.00 3.31 N ATOM 70 CA SER A 5 11.503 -8.864 -1.464 1.00 21.15 C ATOM 71 C SER A 5 11.092 -10.147 -0.738 1.00 12.44 C ATOM 72 O SER A 5 11.941 -10.873 -0.224 1.00 61.45 O ATOM 73 CB SER A 5 12.284 -7.947 -0.520 1.00 30.20 C ATOM 74 OG SER A 5 12.220 -6.583 -0.927 1.00 61.11 O ATOM 0 H SER A 5 10.121 -8.399 -2.969 1.00 3.31 H new ATOM 0 HA SER A 5 12.154 -9.120 -2.300 1.00 21.15 H new ATOM 0 HB2 SER A 5 11.886 -8.043 0.490 1.00 30.20 H new ATOM 0 HB3 SER A 5 13.326 -8.266 -0.484 1.00 30.20 H new ATOM 0 HG SER A 5 11.466 -6.144 -0.482 1.00 61.11 H new ATOM 80 N VAL A 6 9.789 -10.385 -0.718 1.00 33.34 N ATOM 81 CA VAL A 6 9.254 -11.567 -0.063 1.00 63.41 C ATOM 82 C VAL A 6 8.644 -12.496 -1.115 1.00 41.32 C ATOM 83 O VAL A 6 9.092 -13.629 -1.283 1.00 1.10 O ATOM 84 CB VAL A 6 8.258 -11.159 1.024 1.00 52.55 C ATOM 85 CG1 VAL A 6 7.864 -12.359 1.886 1.00 22.13 C ATOM 86 CG2 VAL A 6 8.820 -10.025 1.884 1.00 34.22 C ATOM 0 H VAL A 6 9.088 -9.780 -1.145 1.00 33.34 H new ATOM 0 HA VAL A 6 10.050 -12.119 0.436 1.00 63.41 H new ATOM 0 HB VAL A 6 7.357 -10.791 0.532 1.00 52.55 H new ATOM 0 HG11 VAL A 6 7.155 -12.041 2.651 1.00 22.13 H new ATOM 0 HG12 VAL A 6 7.403 -13.122 1.259 1.00 22.13 H new ATOM 0 HG13 VAL A 6 8.753 -12.771 2.364 1.00 22.13 H new ATOM 0 HG21 VAL A 6 8.093 -9.754 2.649 1.00 34.22 H new ATOM 0 HG22 VAL A 6 9.743 -10.354 2.361 1.00 34.22 H new ATOM 0 HG23 VAL A 6 9.025 -9.159 1.255 1.00 34.22 H new ATOM 96 N LEU A 7 7.631 -11.981 -1.796 1.00 42.44 N ATOM 97 CA LEU A 7 6.955 -12.749 -2.828 1.00 20.34 C ATOM 98 C LEU A 7 6.886 -11.921 -4.112 1.00 64.33 C ATOM 99 O LEU A 7 7.421 -10.815 -4.172 1.00 23.25 O ATOM 100 CB LEU A 7 5.589 -13.228 -2.330 1.00 43.55 C ATOM 101 CG LEU A 7 5.519 -13.643 -0.860 1.00 13.35 C ATOM 102 CD1 LEU A 7 4.124 -13.388 -0.284 1.00 61.34 C ATOM 103 CD2 LEU A 7 5.957 -15.098 -0.679 1.00 14.41 C ATOM 0 H LEU A 7 7.262 -11.041 -1.653 1.00 42.44 H new ATOM 0 HA LEU A 7 7.519 -13.652 -3.062 1.00 20.34 H new ATOM 0 HB2 LEU A 7 4.864 -12.431 -2.497 1.00 43.55 H new ATOM 0 HB3 LEU A 7 5.278 -14.075 -2.941 1.00 43.55 H new ATOM 0 HG LEU A 7 6.218 -13.024 -0.297 1.00 13.35 H new ATOM 0 HD11 LEU A 7 4.101 -13.692 0.763 1.00 61.34 H new ATOM 0 HD12 LEU A 7 3.888 -12.327 -0.359 1.00 61.34 H new ATOM 0 HD13 LEU A 7 3.388 -13.964 -0.845 1.00 61.34 H new ATOM 0 HD21 LEU A 7 5.898 -15.367 0.376 1.00 14.41 H new ATOM 0 HD22 LEU A 7 5.302 -15.750 -1.257 1.00 14.41 H new ATOM 0 HD23 LEU A 7 6.984 -15.215 -1.026 1.00 14.41 H new ATOM 115 N LYS A 8 6.224 -12.489 -5.109 1.00 55.44 N ATOM 116 CA LYS A 8 6.078 -11.817 -6.390 1.00 0.35 C ATOM 117 C LYS A 8 4.967 -10.770 -6.288 1.00 2.44 C ATOM 118 O LYS A 8 3.817 -11.105 -6.009 1.00 51.30 O ATOM 119 CB LYS A 8 5.860 -12.837 -7.509 1.00 25.14 C ATOM 120 CG LYS A 8 6.428 -12.326 -8.834 1.00 65.43 C ATOM 121 CD LYS A 8 6.653 -13.479 -9.815 1.00 23.21 C ATOM 122 CE LYS A 8 7.630 -13.076 -10.921 1.00 4.42 C ATOM 123 NZ LYS A 8 7.502 -13.984 -12.083 1.00 1.45 N ATOM 0 H LYS A 8 5.783 -13.407 -5.056 1.00 55.44 H new ATOM 0 HA LYS A 8 6.995 -11.286 -6.648 1.00 0.35 H new ATOM 0 HB2 LYS A 8 6.337 -13.780 -7.244 1.00 25.14 H new ATOM 0 HB3 LYS A 8 4.795 -13.039 -7.620 1.00 25.14 H new ATOM 0 HG2 LYS A 8 5.743 -11.600 -9.272 1.00 65.43 H new ATOM 0 HG3 LYS A 8 7.370 -11.808 -8.654 1.00 65.43 H new ATOM 0 HD2 LYS A 8 7.041 -14.346 -9.280 1.00 23.21 H new ATOM 0 HD3 LYS A 8 5.702 -13.777 -10.256 1.00 23.21 H new ATOM 0 HE2 LYS A 8 7.434 -12.050 -11.231 1.00 4.42 H new ATOM 0 HE3 LYS A 8 8.651 -13.105 -10.540 1.00 4.42 H new ATOM 0 HZ1 LYS A 8 8.172 -13.696 -12.824 1.00 1.45 H new ATOM 0 HZ2 LYS A 8 7.711 -14.959 -11.787 1.00 1.45 H new ATOM 0 HZ3 LYS A 8 6.532 -13.936 -12.456 1.00 1.45 H new ATOM 136 N ASP A 9 5.350 -9.523 -6.519 1.00 3.53 N ATOM 137 CA ASP A 9 4.401 -8.424 -6.456 1.00 60.24 C ATOM 138 C ASP A 9 3.309 -8.639 -7.506 1.00 62.35 C ATOM 139 O ASP A 9 2.218 -8.083 -7.395 1.00 51.24 O ATOM 140 CB ASP A 9 5.085 -7.088 -6.752 1.00 53.13 C ATOM 141 CG ASP A 9 4.134 -5.931 -7.068 1.00 23.11 C ATOM 142 OD1 ASP A 9 4.348 -5.172 -8.025 1.00 33.20 O ATOM 143 OD2 ASP A 9 3.125 -5.823 -6.272 1.00 54.43 O ATOM 0 H ASP A 9 6.305 -9.249 -6.750 1.00 3.53 H new ATOM 0 HA ASP A 9 3.980 -8.399 -5.451 1.00 60.24 H new ATOM 0 HB2 ASP A 9 5.696 -6.812 -5.893 1.00 53.13 H new ATOM 0 HB3 ASP A 9 5.762 -7.223 -7.595 1.00 53.13 H new ATOM 149 N ALA A 10 3.641 -9.448 -8.502 1.00 4.00 N ATOM 150 CA ALA A 10 2.703 -9.744 -9.571 1.00 53.51 C ATOM 151 C ALA A 10 1.798 -10.901 -9.144 1.00 61.21 C ATOM 152 O ALA A 10 0.746 -11.124 -9.741 1.00 14.15 O ATOM 153 CB ALA A 10 3.473 -10.049 -10.857 1.00 62.31 C ATOM 0 H ALA A 10 4.547 -9.908 -8.591 1.00 4.00 H new ATOM 0 HA ALA A 10 2.065 -8.883 -9.771 1.00 53.51 H new ATOM 0 HB1 ALA A 10 2.769 -10.271 -11.659 1.00 62.31 H new ATOM 0 HB2 ALA A 10 4.077 -9.185 -11.133 1.00 62.31 H new ATOM 0 HB3 ALA A 10 4.123 -10.909 -10.697 1.00 62.31 H new ATOM 159 N GLU A 11 2.241 -11.608 -8.115 1.00 2.34 N ATOM 160 CA GLU A 11 1.485 -12.737 -7.601 1.00 12.01 C ATOM 161 C GLU A 11 0.479 -12.267 -6.548 1.00 20.21 C ATOM 162 O GLU A 11 -0.730 -12.383 -6.744 1.00 2.21 O ATOM 163 CB GLU A 11 2.417 -13.807 -7.030 1.00 21.15 C ATOM 164 CG GLU A 11 3.042 -14.644 -8.148 1.00 13.12 C ATOM 165 CD GLU A 11 2.145 -15.829 -8.512 1.00 21.12 C ATOM 166 OE1 GLU A 11 1.311 -16.249 -7.696 1.00 23.32 O ATOM 167 OE2 GLU A 11 2.337 -16.316 -9.691 1.00 21.12 O ATOM 0 H GLU A 11 3.115 -11.421 -7.623 1.00 2.34 H new ATOM 0 HA GLU A 11 0.934 -13.186 -8.427 1.00 12.01 H new ATOM 0 HB2 GLU A 11 3.204 -13.333 -6.443 1.00 21.15 H new ATOM 0 HB3 GLU A 11 1.860 -14.455 -6.353 1.00 21.15 H new ATOM 0 HG2 GLU A 11 3.202 -14.021 -9.028 1.00 13.12 H new ATOM 0 HG3 GLU A 11 4.020 -15.007 -7.832 1.00 13.12 H new ATOM 175 N VAL A 12 1.016 -11.747 -5.454 1.00 35.22 N ATOM 176 CA VAL A 12 0.180 -11.259 -4.370 1.00 30.43 C ATOM 177 C VAL A 12 -1.007 -10.491 -4.953 1.00 15.21 C ATOM 178 O VAL A 12 -2.082 -10.454 -4.355 1.00 4.44 O ATOM 179 CB VAL A 12 1.017 -10.422 -3.400 1.00 55.34 C ATOM 180 CG1 VAL A 12 2.171 -11.242 -2.822 1.00 61.33 C ATOM 181 CG2 VAL A 12 1.532 -9.151 -4.079 1.00 5.03 C ATOM 0 H VAL A 12 2.019 -11.653 -5.295 1.00 35.22 H new ATOM 0 HA VAL A 12 -0.224 -12.092 -3.794 1.00 30.43 H new ATOM 0 HB VAL A 12 0.373 -10.123 -2.573 1.00 55.34 H new ATOM 0 HG11 VAL A 12 2.749 -10.623 -2.136 1.00 61.33 H new ATOM 0 HG12 VAL A 12 1.773 -12.103 -2.286 1.00 61.33 H new ATOM 0 HG13 VAL A 12 2.815 -11.585 -3.632 1.00 61.33 H new ATOM 0 HG21 VAL A 12 2.124 -8.573 -3.369 1.00 5.03 H new ATOM 0 HG22 VAL A 12 2.152 -9.421 -4.934 1.00 5.03 H new ATOM 0 HG23 VAL A 12 0.687 -8.552 -4.419 1.00 5.03 H new ATOM 191 N THR A 13 -0.774 -9.896 -6.114 1.00 30.43 N ATOM 192 CA THR A 13 -1.811 -9.131 -6.784 1.00 50.23 C ATOM 193 C THR A 13 -3.105 -9.943 -6.866 1.00 61.12 C ATOM 194 O THR A 13 -4.171 -9.459 -6.490 1.00 11.33 O ATOM 195 CB THR A 13 -1.274 -8.704 -8.152 1.00 1.01 C ATOM 196 OG1 THR A 13 -1.919 -7.459 -8.405 1.00 52.01 O ATOM 197 CG2 THR A 13 -1.761 -9.613 -9.282 1.00 53.11 C ATOM 0 H THR A 13 0.118 -9.929 -6.607 1.00 30.43 H new ATOM 0 HA THR A 13 -2.064 -8.232 -6.222 1.00 50.23 H new ATOM 0 HB THR A 13 -0.184 -8.705 -8.130 1.00 1.01 H new ATOM 0 HG1 THR A 13 -1.626 -7.109 -9.273 1.00 52.01 H new ATOM 0 HG21 THR A 13 -1.351 -9.266 -10.230 1.00 53.11 H new ATOM 0 HG22 THR A 13 -1.430 -10.635 -9.096 1.00 53.11 H new ATOM 0 HG23 THR A 13 -2.850 -9.587 -9.326 1.00 53.11 H new ATOM 205 N ALA A 14 -2.969 -11.165 -7.361 1.00 3.34 N ATOM 206 CA ALA A 14 -4.114 -12.049 -7.497 1.00 3.03 C ATOM 207 C ALA A 14 -4.726 -12.300 -6.117 1.00 41.51 C ATOM 208 O ALA A 14 -5.944 -12.406 -5.985 1.00 11.23 O ATOM 209 CB ALA A 14 -3.680 -13.344 -8.186 1.00 25.11 C ATOM 0 H ALA A 14 -2.083 -11.563 -7.673 1.00 3.34 H new ATOM 0 HA ALA A 14 -4.882 -11.590 -8.120 1.00 3.03 H new ATOM 0 HB1 ALA A 14 -4.539 -14.007 -8.288 1.00 25.11 H new ATOM 0 HB2 ALA A 14 -3.280 -13.114 -9.173 1.00 25.11 H new ATOM 0 HB3 ALA A 14 -2.912 -13.834 -7.588 1.00 25.11 H new ATOM 215 N ALA A 15 -3.853 -12.387 -5.124 1.00 43.35 N ATOM 216 CA ALA A 15 -4.292 -12.623 -3.760 1.00 11.13 C ATOM 217 C ALA A 15 -5.123 -11.430 -3.283 1.00 31.14 C ATOM 218 O ALA A 15 -5.904 -11.550 -2.340 1.00 21.52 O ATOM 219 CB ALA A 15 -3.075 -12.879 -2.869 1.00 32.54 C ATOM 0 H ALA A 15 -2.843 -12.298 -5.238 1.00 43.35 H new ATOM 0 HA ALA A 15 -4.926 -13.508 -3.708 1.00 11.13 H new ATOM 0 HB1 ALA A 15 -3.404 -13.056 -1.845 1.00 32.54 H new ATOM 0 HB2 ALA A 15 -2.535 -13.753 -3.233 1.00 32.54 H new ATOM 0 HB3 ALA A 15 -2.417 -12.010 -2.893 1.00 32.54 H new ATOM 225 N LEU A 16 -4.927 -10.306 -3.955 1.00 44.24 N ATOM 226 CA LEU A 16 -5.648 -9.092 -3.612 1.00 32.20 C ATOM 227 C LEU A 16 -6.996 -9.083 -4.336 1.00 62.03 C ATOM 228 O LEU A 16 -8.039 -8.891 -3.713 1.00 25.54 O ATOM 229 CB LEU A 16 -4.788 -7.859 -3.897 1.00 35.03 C ATOM 230 CG LEU A 16 -3.582 -7.656 -2.978 1.00 65.34 C ATOM 231 CD1 LEU A 16 -2.476 -6.875 -3.691 1.00 1.23 C ATOM 232 CD2 LEU A 16 -3.998 -6.992 -1.665 1.00 3.15 C ATOM 0 H LEU A 16 -4.278 -10.210 -4.736 1.00 44.24 H new ATOM 0 HA LEU A 16 -5.860 -9.064 -2.543 1.00 32.20 H new ATOM 0 HB2 LEU A 16 -4.430 -7.920 -4.925 1.00 35.03 H new ATOM 0 HB3 LEU A 16 -5.422 -6.975 -3.832 1.00 35.03 H new ATOM 0 HG LEU A 16 -3.175 -8.635 -2.727 1.00 65.34 H new ATOM 0 HD11 LEU A 16 -1.630 -6.744 -3.016 1.00 1.23 H new ATOM 0 HD12 LEU A 16 -2.153 -7.426 -4.575 1.00 1.23 H new ATOM 0 HD13 LEU A 16 -2.856 -5.898 -3.991 1.00 1.23 H new ATOM 0 HD21 LEU A 16 -3.122 -6.860 -1.031 1.00 3.15 H new ATOM 0 HD22 LEU A 16 -4.445 -6.020 -1.874 1.00 3.15 H new ATOM 0 HD23 LEU A 16 -4.725 -7.622 -1.153 1.00 3.15 H new ATOM 244 N ASP A 17 -6.931 -9.292 -5.643 1.00 24.41 N ATOM 245 CA ASP A 17 -8.133 -9.311 -6.459 1.00 2.41 C ATOM 246 C ASP A 17 -8.902 -10.607 -6.198 1.00 24.33 C ATOM 247 O ASP A 17 -10.050 -10.748 -6.617 1.00 4.35 O ATOM 248 CB ASP A 17 -7.788 -9.257 -7.949 1.00 32.15 C ATOM 249 CG ASP A 17 -8.827 -8.558 -8.828 1.00 32.21 C ATOM 250 OD1 ASP A 17 -9.370 -7.505 -8.461 1.00 70.50 O ATOM 251 OD2 ASP A 17 -9.077 -9.146 -9.948 1.00 72.44 O ATOM 0 H ASP A 17 -6.064 -9.450 -6.157 1.00 24.41 H new ATOM 0 HA ASP A 17 -8.733 -8.440 -6.196 1.00 2.41 H new ATOM 0 HB2 ASP A 17 -6.832 -8.747 -8.067 1.00 32.15 H new ATOM 0 HB3 ASP A 17 -7.653 -10.276 -8.312 1.00 32.15 H new ATOM 257 N GLY A 18 -8.238 -11.522 -5.507 1.00 23.41 N ATOM 258 CA GLY A 18 -8.844 -12.803 -5.185 1.00 13.01 C ATOM 259 C GLY A 18 -10.066 -12.619 -4.283 1.00 35.41 C ATOM 260 O GLY A 18 -10.834 -13.558 -4.073 1.00 3.44 O ATOM 0 H GLY A 18 -7.286 -11.402 -5.161 1.00 23.41 H new ATOM 0 HA2 GLY A 18 -9.138 -13.311 -6.103 1.00 13.01 H new ATOM 0 HA3 GLY A 18 -8.113 -13.441 -4.688 1.00 13.01 H new ATOM 264 N CYS A 19 -10.210 -11.405 -3.774 1.00 45.51 N ATOM 265 CA CYS A 19 -11.325 -11.086 -2.900 1.00 14.04 C ATOM 266 C CYS A 19 -11.945 -9.769 -3.372 1.00 33.50 C ATOM 267 O CYS A 19 -12.620 -9.086 -2.604 1.00 35.24 O ATOM 268 CB CYS A 19 -10.894 -11.020 -1.433 1.00 42.12 C ATOM 269 SG CYS A 19 -9.480 -9.872 -1.248 1.00 74.40 S ATOM 0 H CYS A 19 -9.572 -10.629 -3.951 1.00 45.51 H new ATOM 0 HA CYS A 19 -12.071 -11.878 -2.956 1.00 14.04 H new ATOM 0 HB2 CYS A 19 -11.728 -10.686 -0.815 1.00 42.12 H new ATOM 0 HB3 CYS A 19 -10.615 -12.014 -1.082 1.00 42.12 H new ATOM 0 HG CYS A 19 -9.085 -9.477 -2.422 1.00 74.40 H new ATOM 275 N LYS A 20 -11.694 -9.453 -4.634 1.00 21.12 N ATOM 276 CA LYS A 20 -12.219 -8.230 -5.218 1.00 21.53 C ATOM 277 C LYS A 20 -13.683 -8.062 -4.806 1.00 42.50 C ATOM 278 O LYS A 20 -14.096 -6.976 -4.402 1.00 33.05 O ATOM 279 CB LYS A 20 -12.001 -8.223 -6.732 1.00 72.51 C ATOM 280 CG LYS A 20 -12.759 -9.372 -7.400 1.00 74.33 C ATOM 281 CD LYS A 20 -12.076 -9.796 -8.702 1.00 55.13 C ATOM 282 CE LYS A 20 -12.631 -9.011 -9.893 1.00 0.12 C ATOM 283 NZ LYS A 20 -14.011 -9.446 -10.203 1.00 71.41 N ATOM 0 H LYS A 20 -11.134 -10.023 -5.268 1.00 21.12 H new ATOM 0 HA LYS A 20 -11.679 -7.363 -4.838 1.00 21.53 H new ATOM 0 HB2 LYS A 20 -12.335 -7.272 -7.147 1.00 72.51 H new ATOM 0 HB3 LYS A 20 -10.937 -8.309 -6.950 1.00 72.51 H new ATOM 0 HG2 LYS A 20 -12.812 -10.222 -6.719 1.00 74.33 H new ATOM 0 HG3 LYS A 20 -13.784 -9.065 -7.606 1.00 74.33 H new ATOM 0 HD2 LYS A 20 -11.001 -9.632 -8.623 1.00 55.13 H new ATOM 0 HD3 LYS A 20 -12.225 -10.864 -8.864 1.00 55.13 H new ATOM 0 HE2 LYS A 20 -12.621 -7.944 -9.669 1.00 0.12 H new ATOM 0 HE3 LYS A 20 -11.992 -9.160 -10.764 1.00 0.12 H new ATOM 0 HZ1 LYS A 20 -14.232 -9.220 -11.194 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 -14.093 -10.472 -10.055 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 -14.679 -8.952 -9.578 1.00 71.41 H new ATOM 296 N ALA A 21 -14.427 -9.152 -4.923 1.00 42.53 N ATOM 297 CA ALA A 21 -15.836 -9.138 -4.568 1.00 42.34 C ATOM 298 C ALA A 21 -15.973 -9.036 -3.048 1.00 53.31 C ATOM 299 O ALA A 21 -15.457 -9.879 -2.317 1.00 35.35 O ATOM 300 CB ALA A 21 -16.517 -10.386 -5.133 1.00 22.00 C ATOM 0 H ALA A 21 -14.081 -10.051 -5.259 1.00 42.53 H new ATOM 0 HA ALA A 21 -16.333 -8.271 -5.003 1.00 42.34 H new ATOM 0 HB1 ALA A 21 -17.574 -10.376 -4.867 1.00 22.00 H new ATOM 0 HB2 ALA A 21 -16.416 -10.396 -6.218 1.00 22.00 H new ATOM 0 HB3 ALA A 21 -16.047 -11.277 -4.717 1.00 22.00 H new ATOM 306 N ALA A 22 -16.672 -7.995 -2.618 1.00 24.34 N ATOM 307 CA ALA A 22 -16.884 -7.772 -1.198 1.00 5.04 C ATOM 308 C ALA A 22 -17.846 -8.831 -0.657 1.00 60.51 C ATOM 309 O ALA A 22 -18.977 -8.945 -1.127 1.00 12.14 O ATOM 310 CB ALA A 22 -17.399 -6.349 -0.976 1.00 10.42 C ATOM 0 H ALA A 22 -17.098 -7.297 -3.228 1.00 24.34 H new ATOM 0 HA ALA A 22 -15.946 -7.869 -0.651 1.00 5.04 H new ATOM 0 HB1 ALA A 22 -17.558 -6.182 0.089 1.00 10.42 H new ATOM 0 HB2 ALA A 22 -16.666 -5.634 -1.350 1.00 10.42 H new ATOM 0 HB3 ALA A 22 -18.341 -6.216 -1.509 1.00 10.42 H new ATOM 316 N GLY A 23 -17.361 -9.581 0.322 1.00 15.54 N ATOM 317 CA GLY A 23 -18.165 -10.627 0.932 1.00 44.12 C ATOM 318 C GLY A 23 -17.767 -12.005 0.398 1.00 41.51 C ATOM 319 O GLY A 23 -18.459 -12.992 0.640 1.00 13.23 O ATOM 0 H GLY A 23 -16.422 -9.485 0.708 1.00 15.54 H new ATOM 0 HA2 GLY A 23 -18.040 -10.602 2.015 1.00 44.12 H new ATOM 0 HA3 GLY A 23 -19.220 -10.445 0.729 1.00 44.12 H new ATOM 323 N SER A 24 -16.653 -12.027 -0.319 1.00 2.01 N ATOM 324 CA SER A 24 -16.155 -13.267 -0.889 1.00 64.11 C ATOM 325 C SER A 24 -14.657 -13.407 -0.610 1.00 44.54 C ATOM 326 O SER A 24 -13.954 -14.126 -1.319 1.00 11.21 O ATOM 327 CB SER A 24 -16.422 -13.328 -2.394 1.00 54.01 C ATOM 328 OG SER A 24 -15.398 -12.683 -3.145 1.00 44.33 O ATOM 0 H SER A 24 -16.081 -11.206 -0.518 1.00 2.01 H new ATOM 0 HA SER A 24 -16.685 -14.096 -0.419 1.00 64.11 H new ATOM 0 HB2 SER A 24 -16.499 -14.369 -2.706 1.00 54.01 H new ATOM 0 HB3 SER A 24 -17.381 -12.858 -2.611 1.00 54.01 H new ATOM 0 HG SER A 24 -15.327 -11.747 -2.864 1.00 44.33 H new ATOM 334 N PHE A 25 -14.212 -12.707 0.423 1.00 0.01 N ATOM 335 CA PHE A 25 -12.810 -12.744 0.804 1.00 12.42 C ATOM 336 C PHE A 25 -12.486 -14.022 1.580 1.00 51.01 C ATOM 337 O PHE A 25 -13.271 -14.458 2.421 1.00 3.31 O ATOM 338 CB PHE A 25 -12.561 -11.535 1.709 1.00 70.21 C ATOM 339 CG PHE A 25 -11.255 -11.611 2.502 1.00 0.14 C ATOM 340 CD1 PHE A 25 -10.061 -11.531 1.856 1.00 30.30 C ATOM 341 CD2 PHE A 25 -11.288 -11.758 3.854 1.00 10.30 C ATOM 342 CE1 PHE A 25 -8.849 -11.602 2.592 1.00 0.44 C ATOM 343 CE2 PHE A 25 -10.076 -11.828 4.590 1.00 21.04 C ATOM 344 CZ PHE A 25 -8.882 -11.748 3.944 1.00 20.50 C ATOM 0 H PHE A 25 -14.797 -12.111 1.008 1.00 0.01 H new ATOM 0 HA PHE A 25 -12.182 -12.723 -0.086 1.00 12.42 H new ATOM 0 HB2 PHE A 25 -12.551 -10.632 1.098 1.00 70.21 H new ATOM 0 HB3 PHE A 25 -13.393 -11.439 2.407 1.00 70.21 H new ATOM 0 HD1 PHE A 25 -10.035 -11.413 0.783 1.00 30.30 H new ATOM 0 HD2 PHE A 25 -12.236 -11.821 4.367 1.00 10.30 H new ATOM 0 HE1 PHE A 25 -7.901 -11.540 2.078 1.00 0.44 H new ATOM 0 HE2 PHE A 25 -10.102 -11.945 5.663 1.00 21.04 H new ATOM 0 HZ PHE A 25 -7.960 -11.800 4.504 1.00 20.50 H new ATOM 354 N ASP A 26 -11.329 -14.587 1.269 1.00 22.22 N ATOM 355 CA ASP A 26 -10.891 -15.807 1.927 1.00 53.04 C ATOM 356 C ASP A 26 -9.424 -15.662 2.337 1.00 74.23 C ATOM 357 O ASP A 26 -8.531 -16.136 1.637 1.00 62.12 O ATOM 358 CB ASP A 26 -11.003 -17.009 0.987 1.00 31.43 C ATOM 359 CG ASP A 26 -12.369 -17.698 0.978 1.00 33.24 C ATOM 360 OD1 ASP A 26 -12.520 -18.824 1.475 1.00 30.24 O ATOM 361 OD2 ASP A 26 -13.318 -17.021 0.425 1.00 65.34 O ATOM 0 H ASP A 26 -10.681 -14.223 0.570 1.00 22.22 H new ATOM 0 HA ASP A 26 -11.527 -15.969 2.797 1.00 53.04 H new ATOM 0 HB2 ASP A 26 -10.772 -16.681 -0.026 1.00 31.43 H new ATOM 0 HB3 ASP A 26 -10.245 -17.741 1.266 1.00 31.43 H new ATOM 367 N HIS A 27 -9.222 -15.005 3.469 1.00 21.33 N ATOM 368 CA HIS A 27 -7.879 -14.792 3.981 1.00 63.11 C ATOM 369 C HIS A 27 -7.040 -16.053 3.763 1.00 34.42 C ATOM 370 O HIS A 27 -5.975 -15.997 3.152 1.00 65.11 O ATOM 371 CB HIS A 27 -7.919 -14.352 5.446 1.00 62.33 C ATOM 372 CG HIS A 27 -8.371 -15.433 6.399 1.00 2.31 C ATOM 373 ND1 HIS A 27 -9.662 -15.929 6.411 1.00 35.43 N ATOM 374 CD2 HIS A 27 -7.690 -16.106 7.370 1.00 20.24 C ATOM 375 CE1 HIS A 27 -9.744 -16.859 7.352 1.00 14.41 C ATOM 376 NE2 HIS A 27 -8.521 -16.966 7.946 1.00 70.43 N ATOM 0 H HIS A 27 -9.966 -14.613 4.046 1.00 21.33 H new ATOM 0 HA HIS A 27 -7.401 -13.981 3.432 1.00 63.11 H new ATOM 0 HB2 HIS A 27 -6.925 -14.014 5.741 1.00 62.33 H new ATOM 0 HB3 HIS A 27 -8.588 -13.496 5.540 1.00 62.33 H new ATOM 0 HD1 HIS A 27 -10.422 -15.630 5.800 1.00 35.43 H new ATOM 0 HD2 HIS A 27 -6.651 -15.963 7.627 1.00 20.24 H new ATOM 0 HE1 HIS A 27 -10.625 -17.431 7.604 1.00 14.41 H new ATOM 384 N LYS A 28 -7.554 -17.162 4.276 1.00 61.14 N ATOM 385 CA LYS A 28 -6.866 -18.435 4.145 1.00 31.41 C ATOM 386 C LYS A 28 -6.427 -18.626 2.692 1.00 61.20 C ATOM 387 O LYS A 28 -5.289 -19.012 2.429 1.00 2.33 O ATOM 388 CB LYS A 28 -7.739 -19.573 4.678 1.00 33.11 C ATOM 389 CG LYS A 28 -7.716 -19.612 6.207 1.00 23.05 C ATOM 390 CD LYS A 28 -6.557 -20.472 6.716 1.00 32.12 C ATOM 391 CE LYS A 28 -6.665 -20.699 8.225 1.00 23.54 C ATOM 392 NZ LYS A 28 -5.844 -21.861 8.634 1.00 31.42 N ATOM 0 H LYS A 28 -8.438 -17.205 4.783 1.00 61.14 H new ATOM 0 HA LYS A 28 -5.963 -18.444 4.755 1.00 31.41 H new ATOM 0 HB2 LYS A 28 -8.764 -19.444 4.329 1.00 33.11 H new ATOM 0 HB3 LYS A 28 -7.385 -20.524 4.281 1.00 33.11 H new ATOM 0 HG2 LYS A 28 -7.622 -18.599 6.599 1.00 23.05 H new ATOM 0 HG3 LYS A 28 -8.660 -20.011 6.578 1.00 23.05 H new ATOM 0 HD2 LYS A 28 -6.557 -21.432 6.199 1.00 32.12 H new ATOM 0 HD3 LYS A 28 -5.609 -19.986 6.485 1.00 32.12 H new ATOM 0 HE2 LYS A 28 -6.335 -19.807 8.758 1.00 23.54 H new ATOM 0 HE3 LYS A 28 -7.706 -20.867 8.500 1.00 23.54 H new ATOM 0 HZ1 LYS A 28 -6.206 -22.244 9.531 1.00 31.42 H new ATOM 0 HZ2 LYS A 28 -5.892 -22.596 7.899 1.00 31.42 H new ATOM 0 HZ3 LYS A 28 -4.856 -21.561 8.760 1.00 31.42 H new ATOM 405 N LYS A 29 -7.353 -18.347 1.786 1.00 23.50 N ATOM 406 CA LYS A 29 -7.075 -18.484 0.366 1.00 13.42 C ATOM 407 C LYS A 29 -5.946 -17.527 -0.022 1.00 60.34 C ATOM 408 O LYS A 29 -4.978 -17.932 -0.664 1.00 71.33 O ATOM 409 CB LYS A 29 -8.354 -18.289 -0.451 1.00 33.04 C ATOM 410 CG LYS A 29 -9.340 -19.433 -0.206 1.00 73.22 C ATOM 411 CD LYS A 29 -9.018 -20.634 -1.097 1.00 70.53 C ATOM 412 CE LYS A 29 -9.498 -21.938 -0.455 1.00 43.32 C ATOM 413 NZ LYS A 29 -10.956 -21.888 -0.210 1.00 35.32 N ATOM 0 H LYS A 29 -8.296 -18.027 2.007 1.00 23.50 H new ATOM 0 HA LYS A 29 -6.730 -19.493 0.140 1.00 13.42 H new ATOM 0 HB2 LYS A 29 -8.819 -17.340 -0.185 1.00 33.04 H new ATOM 0 HB3 LYS A 29 -8.108 -18.237 -1.512 1.00 33.04 H new ATOM 0 HG2 LYS A 29 -9.302 -19.732 0.841 1.00 73.22 H new ATOM 0 HG3 LYS A 29 -10.356 -19.091 -0.404 1.00 73.22 H new ATOM 0 HD2 LYS A 29 -9.493 -20.507 -2.070 1.00 70.53 H new ATOM 0 HD3 LYS A 29 -7.943 -20.684 -1.271 1.00 70.53 H new ATOM 0 HE2 LYS A 29 -9.261 -22.780 -1.106 1.00 43.32 H new ATOM 0 HE3 LYS A 29 -8.971 -22.103 0.485 1.00 43.32 H new ATOM 0 HZ1 LYS A 29 -11.294 -22.832 0.066 1.00 35.32 H new ATOM 0 HZ2 LYS A 29 -11.157 -21.212 0.554 1.00 35.32 H new ATOM 0 HZ3 LYS A 29 -11.444 -21.585 -1.077 1.00 35.32 H new ATOM 426 N PHE A 30 -6.107 -16.276 0.383 1.00 32.31 N ATOM 427 CA PHE A 30 -5.113 -15.259 0.085 1.00 33.14 C ATOM 428 C PHE A 30 -3.703 -15.760 0.404 1.00 33.24 C ATOM 429 O PHE A 30 -2.866 -15.879 -0.489 1.00 0.12 O ATOM 430 CB PHE A 30 -5.427 -14.054 0.974 1.00 4.13 C ATOM 431 CG PHE A 30 -4.712 -12.768 0.554 1.00 60.02 C ATOM 432 CD1 PHE A 30 -3.353 -12.708 0.571 1.00 74.42 C ATOM 433 CD2 PHE A 30 -5.435 -11.685 0.163 1.00 14.31 C ATOM 434 CE1 PHE A 30 -2.690 -11.515 0.181 1.00 72.04 C ATOM 435 CE2 PHE A 30 -4.772 -10.491 -0.227 1.00 71.20 C ATOM 436 CZ PHE A 30 -3.413 -10.432 -0.210 1.00 55.40 C ATOM 0 H PHE A 30 -6.911 -15.943 0.915 1.00 32.31 H new ATOM 0 HA PHE A 30 -5.147 -15.004 -0.974 1.00 33.14 H new ATOM 0 HB2 PHE A 30 -6.503 -13.879 0.965 1.00 4.13 H new ATOM 0 HB3 PHE A 30 -5.152 -14.292 2.001 1.00 4.13 H new ATOM 0 HD1 PHE A 30 -2.778 -13.568 0.881 1.00 74.42 H new ATOM 0 HD2 PHE A 30 -6.514 -11.733 0.149 1.00 14.31 H new ATOM 0 HE1 PHE A 30 -1.611 -11.468 0.195 1.00 72.04 H new ATOM 0 HE2 PHE A 30 -5.346 -9.630 -0.537 1.00 71.20 H new ATOM 0 HZ PHE A 30 -2.908 -9.525 -0.507 1.00 55.40 H new ATOM 446 N PHE A 31 -3.484 -16.041 1.681 1.00 51.25 N ATOM 447 CA PHE A 31 -2.190 -16.526 2.128 1.00 21.45 C ATOM 448 C PHE A 31 -1.812 -17.824 1.410 1.00 14.52 C ATOM 449 O PHE A 31 -0.668 -17.997 0.994 1.00 3.45 O ATOM 450 CB PHE A 31 -2.311 -16.804 3.628 1.00 31.41 C ATOM 451 CG PHE A 31 -2.378 -15.543 4.491 1.00 12.13 C ATOM 452 CD1 PHE A 31 -1.291 -14.732 4.596 1.00 53.11 C ATOM 453 CD2 PHE A 31 -3.524 -15.233 5.154 1.00 14.42 C ATOM 454 CE1 PHE A 31 -1.354 -13.561 5.397 1.00 25.21 C ATOM 455 CE2 PHE A 31 -3.587 -14.062 5.955 1.00 4.15 C ATOM 456 CZ PHE A 31 -2.500 -13.251 6.060 1.00 42.10 C ATOM 0 H PHE A 31 -4.181 -15.942 2.419 1.00 51.25 H new ATOM 0 HA PHE A 31 -1.420 -15.785 1.911 1.00 21.45 H new ATOM 0 HB2 PHE A 31 -3.205 -17.401 3.805 1.00 31.41 H new ATOM 0 HB3 PHE A 31 -1.459 -17.404 3.946 1.00 31.41 H new ATOM 0 HD1 PHE A 31 -0.380 -14.979 4.070 1.00 53.11 H new ATOM 0 HD2 PHE A 31 -4.387 -15.878 5.071 1.00 14.42 H new ATOM 0 HE1 PHE A 31 -0.491 -12.916 5.480 1.00 25.21 H new ATOM 0 HE2 PHE A 31 -4.498 -13.815 6.481 1.00 4.15 H new ATOM 0 HZ PHE A 31 -2.547 -12.361 6.670 1.00 42.10 H new ATOM 466 N LYS A 32 -2.797 -18.702 1.286 1.00 5.14 N ATOM 467 CA LYS A 32 -2.582 -19.978 0.626 1.00 60.13 C ATOM 468 C LYS A 32 -2.293 -19.737 -0.857 1.00 74.45 C ATOM 469 O LYS A 32 -1.775 -20.617 -1.543 1.00 44.13 O ATOM 470 CB LYS A 32 -3.763 -20.917 0.878 1.00 72.22 C ATOM 471 CG LYS A 32 -3.518 -22.288 0.245 1.00 74.45 C ATOM 472 CD LYS A 32 -4.032 -22.326 -1.196 1.00 71.52 C ATOM 473 CE LYS A 32 -3.318 -23.411 -2.005 1.00 24.35 C ATOM 474 NZ LYS A 32 -1.854 -23.190 -1.988 1.00 72.44 N ATOM 0 H LYS A 32 -3.745 -18.555 1.631 1.00 5.14 H new ATOM 0 HA LYS A 32 -1.710 -20.481 1.044 1.00 60.13 H new ATOM 0 HB2 LYS A 32 -3.920 -21.030 1.951 1.00 72.22 H new ATOM 0 HB3 LYS A 32 -4.673 -20.480 0.467 1.00 72.22 H new ATOM 0 HG2 LYS A 32 -2.452 -22.515 0.261 1.00 74.45 H new ATOM 0 HG3 LYS A 32 -4.016 -23.059 0.833 1.00 74.45 H new ATOM 0 HD2 LYS A 32 -5.106 -22.513 -1.198 1.00 71.52 H new ATOM 0 HD3 LYS A 32 -3.877 -21.355 -1.667 1.00 71.52 H new ATOM 0 HE2 LYS A 32 -3.549 -24.393 -1.591 1.00 24.35 H new ATOM 0 HE3 LYS A 32 -3.681 -23.405 -3.033 1.00 24.35 H new ATOM 0 HZ1 LYS A 32 -1.436 -23.567 -2.863 1.00 72.44 H new ATOM 0 HZ2 LYS A 32 -1.658 -22.171 -1.921 1.00 72.44 H new ATOM 0 HZ3 LYS A 32 -1.439 -23.677 -1.168 1.00 72.44 H new ATOM 487 N ALA A 33 -2.642 -18.542 -1.309 1.00 10.42 N ATOM 488 CA ALA A 33 -2.427 -18.174 -2.698 1.00 61.11 C ATOM 489 C ALA A 33 -0.960 -17.787 -2.897 1.00 53.34 C ATOM 490 O ALA A 33 -0.244 -18.428 -3.664 1.00 63.40 O ATOM 491 CB ALA A 33 -3.386 -17.045 -3.082 1.00 25.10 C ATOM 0 H ALA A 33 -3.073 -17.815 -0.737 1.00 10.42 H new ATOM 0 HA ALA A 33 -2.638 -19.017 -3.356 1.00 61.11 H new ATOM 0 HB1 ALA A 33 -3.225 -16.769 -4.124 1.00 25.10 H new ATOM 0 HB2 ALA A 33 -4.415 -17.381 -2.951 1.00 25.10 H new ATOM 0 HB3 ALA A 33 -3.203 -16.180 -2.445 1.00 25.10 H new ATOM 497 N CYS A 34 -0.557 -16.739 -2.194 1.00 14.20 N ATOM 498 CA CYS A 34 0.811 -16.258 -2.284 1.00 70.20 C ATOM 499 C CYS A 34 1.737 -17.336 -1.716 1.00 51.14 C ATOM 500 O CYS A 34 2.947 -17.298 -1.936 1.00 34.22 O ATOM 501 CB CYS A 34 0.988 -14.918 -1.567 1.00 62.13 C ATOM 502 SG CYS A 34 0.298 -15.017 0.125 1.00 71.44 S ATOM 0 H CYS A 34 -1.154 -16.209 -1.559 1.00 14.20 H new ATOM 0 HA CYS A 34 1.067 -16.073 -3.327 1.00 70.20 H new ATOM 0 HB2 CYS A 34 2.045 -14.657 -1.523 1.00 62.13 H new ATOM 0 HB3 CYS A 34 0.488 -14.128 -2.127 1.00 62.13 H new ATOM 0 HG CYS A 34 -0.098 -16.232 0.362 1.00 71.44 H new ATOM 508 N GLY A 35 1.133 -18.271 -0.998 1.00 22.11 N ATOM 509 CA GLY A 35 1.889 -19.357 -0.397 1.00 75.32 C ATOM 510 C GLY A 35 2.303 -19.011 1.034 1.00 0.04 C ATOM 511 O GLY A 35 2.867 -19.845 1.740 1.00 23.51 O ATOM 0 H GLY A 35 0.129 -18.299 -0.819 1.00 22.11 H new ATOM 0 HA2 GLY A 35 1.288 -20.266 -0.396 1.00 75.32 H new ATOM 0 HA3 GLY A 35 2.776 -19.563 -0.996 1.00 75.32 H new ATOM 515 N LEU A 36 2.007 -17.779 1.420 1.00 0.43 N ATOM 516 CA LEU A 36 2.342 -17.312 2.755 1.00 52.41 C ATOM 517 C LEU A 36 2.068 -18.428 3.765 1.00 41.12 C ATOM 518 O LEU A 36 2.732 -18.513 4.797 1.00 63.04 O ATOM 519 CB LEU A 36 1.606 -16.007 3.066 1.00 1.32 C ATOM 520 CG LEU A 36 2.364 -14.717 2.746 1.00 11.41 C ATOM 521 CD1 LEU A 36 1.434 -13.503 2.814 1.00 23.51 C ATOM 522 CD2 LEU A 36 3.583 -14.556 3.657 1.00 71.43 C ATOM 0 H LEU A 36 1.539 -17.090 0.832 1.00 0.43 H new ATOM 0 HA LEU A 36 3.404 -17.076 2.821 1.00 52.41 H new ATOM 0 HB2 LEU A 36 0.668 -16.001 2.511 1.00 1.32 H new ATOM 0 HB3 LEU A 36 1.350 -16.001 4.125 1.00 1.32 H new ATOM 0 HG LEU A 36 2.733 -14.783 1.723 1.00 11.41 H new ATOM 0 HD11 LEU A 36 1.998 -12.599 2.582 1.00 23.51 H new ATOM 0 HD12 LEU A 36 0.627 -13.622 2.091 1.00 23.51 H new ATOM 0 HD13 LEU A 36 1.014 -13.422 3.817 1.00 23.51 H new ATOM 0 HD21 LEU A 36 4.104 -13.631 3.408 1.00 71.43 H new ATOM 0 HD22 LEU A 36 3.258 -14.521 4.697 1.00 71.43 H new ATOM 0 HD23 LEU A 36 4.257 -15.401 3.516 1.00 71.43 H new ATOM 534 N SER A 37 1.089 -19.256 3.432 1.00 31.12 N ATOM 535 CA SER A 37 0.719 -20.364 4.297 1.00 2.52 C ATOM 536 C SER A 37 1.856 -21.386 4.353 1.00 1.12 C ATOM 537 O SER A 37 2.462 -21.588 5.404 1.00 24.41 O ATOM 538 CB SER A 37 -0.571 -21.031 3.817 1.00 52.52 C ATOM 539 OG SER A 37 -0.734 -22.336 4.365 1.00 3.34 O ATOM 0 H SER A 37 0.540 -19.182 2.575 1.00 31.12 H new ATOM 0 HA SER A 37 0.542 -19.972 5.298 1.00 2.52 H new ATOM 0 HB2 SER A 37 -1.424 -20.412 4.095 1.00 52.52 H new ATOM 0 HB3 SER A 37 -0.564 -21.093 2.729 1.00 52.52 H new ATOM 0 HG SER A 37 -0.804 -22.275 5.341 1.00 3.34 H new ATOM 545 N GLY A 38 2.111 -22.003 3.209 1.00 72.21 N ATOM 546 CA GLY A 38 3.164 -23.000 3.114 1.00 2.44 C ATOM 547 C GLY A 38 4.544 -22.353 3.252 1.00 22.31 C ATOM 548 O GLY A 38 5.554 -23.050 3.337 1.00 63.21 O ATOM 0 H GLY A 38 1.606 -21.832 2.339 1.00 72.21 H new ATOM 0 HA2 GLY A 38 3.031 -23.751 3.893 1.00 2.44 H new ATOM 0 HA3 GLY A 38 3.095 -23.518 2.157 1.00 2.44 H new ATOM 552 N LYS A 39 4.543 -21.029 3.270 1.00 12.40 N ATOM 553 CA LYS A 39 5.782 -20.280 3.396 1.00 62.50 C ATOM 554 C LYS A 39 6.428 -20.596 4.746 1.00 23.14 C ATOM 555 O LYS A 39 5.909 -21.406 5.513 1.00 63.22 O ATOM 556 CB LYS A 39 5.533 -18.788 3.167 1.00 31.32 C ATOM 557 CG LYS A 39 5.592 -18.445 1.677 1.00 2.44 C ATOM 558 CD LYS A 39 6.943 -18.839 1.077 1.00 4.53 C ATOM 559 CE LYS A 39 7.337 -17.889 -0.056 1.00 64.42 C ATOM 560 NZ LYS A 39 8.286 -18.551 -0.980 1.00 52.10 N ATOM 0 H LYS A 39 3.703 -20.455 3.199 1.00 12.40 H new ATOM 0 HA LYS A 39 6.490 -20.582 2.624 1.00 62.50 H new ATOM 0 HB2 LYS A 39 4.558 -18.512 3.569 1.00 31.32 H new ATOM 0 HB3 LYS A 39 6.278 -18.204 3.708 1.00 31.32 H new ATOM 0 HG2 LYS A 39 4.791 -18.962 1.149 1.00 2.44 H new ATOM 0 HG3 LYS A 39 5.427 -17.376 1.539 1.00 2.44 H new ATOM 0 HD2 LYS A 39 7.708 -18.823 1.853 1.00 4.53 H new ATOM 0 HD3 LYS A 39 6.893 -19.860 0.700 1.00 4.53 H new ATOM 0 HE2 LYS A 39 6.447 -17.576 -0.602 1.00 64.42 H new ATOM 0 HE3 LYS A 39 7.791 -16.988 0.358 1.00 64.42 H new ATOM 0 HZ1 LYS A 39 8.544 -17.893 -1.743 1.00 52.10 H new ATOM 0 HZ2 LYS A 39 9.142 -18.828 -0.458 1.00 52.10 H new ATOM 0 HZ3 LYS A 39 7.840 -19.397 -1.388 1.00 52.10 H new ATOM 573 N SER A 40 7.552 -19.940 4.997 1.00 53.33 N ATOM 574 CA SER A 40 8.274 -20.140 6.241 1.00 22.13 C ATOM 575 C SER A 40 7.809 -19.123 7.286 1.00 62.41 C ATOM 576 O SER A 40 7.505 -17.979 6.952 1.00 64.34 O ATOM 577 CB SER A 40 9.785 -20.027 6.026 1.00 54.43 C ATOM 578 OG SER A 40 10.228 -20.816 4.925 1.00 55.10 O ATOM 0 H SER A 40 7.980 -19.269 4.359 1.00 53.33 H new ATOM 0 HA SER A 40 8.060 -21.146 6.602 1.00 22.13 H new ATOM 0 HB2 SER A 40 10.050 -18.984 5.854 1.00 54.43 H new ATOM 0 HB3 SER A 40 10.305 -20.343 6.931 1.00 54.43 H new ATOM 0 HG SER A 40 11.197 -20.716 4.820 1.00 55.10 H new ATOM 584 N THR A 41 7.768 -19.578 8.530 1.00 43.42 N ATOM 585 CA THR A 41 7.346 -18.722 9.625 1.00 15.14 C ATOM 586 C THR A 41 8.316 -17.551 9.793 1.00 62.21 C ATOM 587 O THR A 41 8.022 -16.593 10.506 1.00 73.02 O ATOM 588 CB THR A 41 7.217 -19.589 10.880 1.00 53.44 C ATOM 589 OG1 THR A 41 6.089 -20.418 10.614 1.00 13.22 O ATOM 590 CG2 THR A 41 6.803 -18.780 12.111 1.00 51.54 C ATOM 0 H THR A 41 8.020 -20.528 8.803 1.00 43.42 H new ATOM 0 HA THR A 41 6.375 -18.271 9.422 1.00 15.14 H new ATOM 0 HB THR A 41 8.166 -20.087 11.076 1.00 53.44 H new ATOM 0 HG1 THR A 41 5.934 -21.014 11.376 1.00 13.22 H new ATOM 0 HG21 THR A 41 6.726 -19.443 12.973 1.00 51.54 H new ATOM 0 HG22 THR A 41 7.550 -18.012 12.310 1.00 51.54 H new ATOM 0 HG23 THR A 41 5.837 -18.308 11.929 1.00 51.54 H new ATOM 598 N ASP A 42 9.454 -17.667 9.124 1.00 72.11 N ATOM 599 CA ASP A 42 10.470 -16.630 9.190 1.00 73.24 C ATOM 600 C ASP A 42 9.987 -15.400 8.419 1.00 13.43 C ATOM 601 O ASP A 42 9.938 -14.300 8.967 1.00 11.55 O ATOM 602 CB ASP A 42 11.779 -17.101 8.555 1.00 64.44 C ATOM 603 CG ASP A 42 12.805 -15.997 8.292 1.00 10.32 C ATOM 604 OD1 ASP A 42 13.584 -16.064 7.330 1.00 51.13 O ATOM 605 OD2 ASP A 42 12.785 -15.022 9.137 1.00 55.00 O ATOM 0 H ASP A 42 9.695 -18.463 8.534 1.00 72.11 H new ATOM 0 HA ASP A 42 10.643 -16.393 10.240 1.00 73.24 H new ATOM 0 HB2 ASP A 42 12.232 -17.849 9.205 1.00 64.44 H new ATOM 0 HB3 ASP A 42 11.550 -17.596 7.611 1.00 64.44 H new ATOM 611 N GLU A 43 9.642 -15.627 7.160 1.00 1.34 N ATOM 612 CA GLU A 43 9.165 -14.550 6.309 1.00 33.13 C ATOM 613 C GLU A 43 7.880 -13.949 6.884 1.00 63.13 C ATOM 614 O GLU A 43 7.655 -12.744 6.782 1.00 20.11 O ATOM 615 CB GLU A 43 8.948 -15.039 4.876 1.00 72.40 C ATOM 616 CG GLU A 43 7.541 -15.614 4.700 1.00 54.54 C ATOM 617 CD GLU A 43 7.320 -16.093 3.264 1.00 62.25 C ATOM 618 OE1 GLU A 43 6.339 -15.692 2.620 1.00 62.33 O ATOM 619 OE2 GLU A 43 8.213 -16.911 2.819 1.00 60.41 O ATOM 0 H GLU A 43 9.683 -16.541 6.709 1.00 1.34 H new ATOM 0 HA GLU A 43 9.927 -13.771 6.281 1.00 33.13 H new ATOM 0 HB2 GLU A 43 9.097 -14.214 4.180 1.00 72.40 H new ATOM 0 HB3 GLU A 43 9.689 -15.800 4.632 1.00 72.40 H new ATOM 0 HG2 GLU A 43 7.395 -16.444 5.391 1.00 54.54 H new ATOM 0 HG3 GLU A 43 6.800 -14.855 4.952 1.00 54.54 H new ATOM 627 N VAL A 44 7.072 -14.816 7.475 1.00 73.43 N ATOM 628 CA VAL A 44 5.816 -14.386 8.065 1.00 33.34 C ATOM 629 C VAL A 44 6.074 -13.195 8.990 1.00 54.32 C ATOM 630 O VAL A 44 5.245 -12.291 9.089 1.00 20.14 O ATOM 631 CB VAL A 44 5.143 -15.561 8.778 1.00 21.32 C ATOM 632 CG1 VAL A 44 3.873 -15.109 9.502 1.00 25.13 C ATOM 633 CG2 VAL A 44 4.841 -16.697 7.798 1.00 13.41 C ATOM 0 H VAL A 44 7.263 -15.815 7.558 1.00 73.43 H new ATOM 0 HA VAL A 44 5.125 -14.054 7.291 1.00 33.34 H new ATOM 0 HB VAL A 44 5.838 -15.941 9.527 1.00 21.32 H new ATOM 0 HG11 VAL A 44 3.415 -15.963 10.000 1.00 25.13 H new ATOM 0 HG12 VAL A 44 4.127 -14.350 10.242 1.00 25.13 H new ATOM 0 HG13 VAL A 44 3.172 -14.691 8.780 1.00 25.13 H new ATOM 0 HG21 VAL A 44 4.363 -17.519 8.330 1.00 13.41 H new ATOM 0 HG22 VAL A 44 4.174 -16.335 7.016 1.00 13.41 H new ATOM 0 HG23 VAL A 44 5.771 -17.047 7.349 1.00 13.41 H new ATOM 643 N LYS A 45 7.226 -13.232 9.643 1.00 51.44 N ATOM 644 CA LYS A 45 7.603 -12.166 10.555 1.00 3.15 C ATOM 645 C LYS A 45 7.884 -10.892 9.757 1.00 42.43 C ATOM 646 O LYS A 45 7.660 -9.786 10.246 1.00 3.35 O ATOM 647 CB LYS A 45 8.771 -12.607 11.440 1.00 10.04 C ATOM 648 CG LYS A 45 8.349 -13.737 12.382 1.00 62.13 C ATOM 649 CD LYS A 45 9.570 -14.487 12.920 1.00 53.33 C ATOM 650 CE LYS A 45 9.148 -15.745 13.682 1.00 3.50 C ATOM 651 NZ LYS A 45 8.015 -16.409 13.000 1.00 10.41 N ATOM 0 H LYS A 45 7.911 -13.983 9.559 1.00 51.44 H new ATOM 0 HA LYS A 45 6.783 -11.941 11.237 1.00 3.15 H new ATOM 0 HB2 LYS A 45 9.600 -12.940 10.815 1.00 10.04 H new ATOM 0 HB3 LYS A 45 9.131 -11.759 12.022 1.00 10.04 H new ATOM 0 HG2 LYS A 45 7.774 -13.327 13.213 1.00 62.13 H new ATOM 0 HG3 LYS A 45 7.695 -14.431 11.854 1.00 62.13 H new ATOM 0 HD2 LYS A 45 10.226 -14.761 12.094 1.00 53.33 H new ATOM 0 HD3 LYS A 45 10.142 -13.833 13.578 1.00 53.33 H new ATOM 0 HE2 LYS A 45 9.990 -16.433 13.754 1.00 3.50 H new ATOM 0 HE3 LYS A 45 8.863 -15.482 14.701 1.00 3.50 H new ATOM 0 HZ1 LYS A 45 7.926 -17.386 13.345 1.00 10.41 H new ATOM 0 HZ2 LYS A 45 7.137 -15.890 13.200 1.00 10.41 H new ATOM 0 HZ3 LYS A 45 8.185 -16.419 11.974 1.00 10.41 H new ATOM 664 N LYS A 46 8.370 -11.089 8.540 1.00 24.02 N ATOM 665 CA LYS A 46 8.684 -9.969 7.669 1.00 62.42 C ATOM 666 C LYS A 46 7.424 -9.552 6.908 1.00 62.54 C ATOM 667 O LYS A 46 7.336 -8.429 6.414 1.00 60.43 O ATOM 668 CB LYS A 46 9.866 -10.313 6.760 1.00 3.51 C ATOM 669 CG LYS A 46 10.816 -11.297 7.445 1.00 64.32 C ATOM 670 CD LYS A 46 11.220 -10.795 8.833 1.00 51.14 C ATOM 671 CE LYS A 46 12.407 -9.833 8.744 1.00 74.41 C ATOM 672 NZ LYS A 46 12.012 -8.585 8.054 1.00 14.11 N ATOM 0 H LYS A 46 8.554 -12.008 8.137 1.00 24.02 H new ATOM 0 HA LYS A 46 9.003 -9.107 8.255 1.00 62.42 H new ATOM 0 HB2 LYS A 46 9.500 -10.744 5.829 1.00 3.51 H new ATOM 0 HB3 LYS A 46 10.406 -9.403 6.499 1.00 3.51 H new ATOM 0 HG2 LYS A 46 10.335 -12.271 7.533 1.00 64.32 H new ATOM 0 HG3 LYS A 46 11.706 -11.435 6.831 1.00 64.32 H new ATOM 0 HD2 LYS A 46 10.374 -10.292 9.302 1.00 51.14 H new ATOM 0 HD3 LYS A 46 11.480 -11.642 9.468 1.00 51.14 H new ATOM 0 HE2 LYS A 46 12.772 -9.602 9.745 1.00 74.41 H new ATOM 0 HE3 LYS A 46 13.228 -10.308 8.207 1.00 74.41 H new ATOM 0 HZ1 LYS A 46 12.567 -7.790 8.430 1.00 14.11 H new ATOM 0 HZ2 LYS A 46 12.191 -8.681 7.034 1.00 14.11 H new ATOM 0 HZ3 LYS A 46 11.000 -8.406 8.213 1.00 14.11 H new ATOM 685 N ALA A 47 6.480 -10.480 6.837 1.00 44.44 N ATOM 686 CA ALA A 47 5.229 -10.222 6.144 1.00 62.51 C ATOM 687 C ALA A 47 4.270 -9.494 7.087 1.00 53.22 C ATOM 688 O ALA A 47 3.425 -8.718 6.641 1.00 24.12 O ATOM 689 CB ALA A 47 4.650 -11.542 5.628 1.00 5.43 C ATOM 0 H ALA A 47 6.557 -11.411 7.248 1.00 44.44 H new ATOM 0 HA ALA A 47 5.394 -9.578 5.280 1.00 62.51 H new ATOM 0 HB1 ALA A 47 3.712 -11.349 5.108 1.00 5.43 H new ATOM 0 HB2 ALA A 47 5.357 -12.005 4.940 1.00 5.43 H new ATOM 0 HB3 ALA A 47 4.468 -12.213 6.468 1.00 5.43 H new ATOM 695 N PHE A 48 4.431 -9.769 8.373 1.00 64.13 N ATOM 696 CA PHE A 48 3.590 -9.149 9.382 1.00 20.43 C ATOM 697 C PHE A 48 3.896 -7.656 9.509 1.00 13.44 C ATOM 698 O PHE A 48 2.994 -6.851 9.736 1.00 15.13 O ATOM 699 CB PHE A 48 3.906 -9.837 10.712 1.00 62.43 C ATOM 700 CG PHE A 48 3.476 -9.039 11.944 1.00 54.44 C ATOM 701 CD1 PHE A 48 2.246 -9.239 12.488 1.00 33.45 C ATOM 702 CD2 PHE A 48 4.323 -8.128 12.494 1.00 54.13 C ATOM 703 CE1 PHE A 48 1.846 -8.498 13.632 1.00 61.13 C ATOM 704 CE2 PHE A 48 3.923 -7.386 13.637 1.00 31.50 C ATOM 705 CZ PHE A 48 2.693 -7.587 14.182 1.00 60.32 C ATOM 0 H PHE A 48 5.132 -10.413 8.739 1.00 64.13 H new ATOM 0 HA PHE A 48 2.540 -9.255 9.108 1.00 20.43 H new ATOM 0 HB2 PHE A 48 3.414 -10.809 10.732 1.00 62.43 H new ATOM 0 HB3 PHE A 48 4.979 -10.021 10.768 1.00 62.43 H new ATOM 0 HD1 PHE A 48 1.573 -9.961 12.050 1.00 33.45 H new ATOM 0 HD2 PHE A 48 5.300 -7.969 12.062 1.00 54.13 H new ATOM 0 HE1 PHE A 48 0.870 -8.658 14.065 1.00 61.13 H new ATOM 0 HE2 PHE A 48 4.595 -6.662 14.073 1.00 31.50 H new ATOM 0 HZ PHE A 48 2.389 -7.023 15.052 1.00 60.32 H new ATOM 715 N ALA A 49 5.171 -7.330 9.357 1.00 30.15 N ATOM 716 CA ALA A 49 5.607 -5.947 9.452 1.00 32.24 C ATOM 717 C ALA A 49 5.049 -5.159 8.266 1.00 42.33 C ATOM 718 O ALA A 49 5.067 -3.929 8.270 1.00 51.23 O ATOM 719 CB ALA A 49 7.135 -5.897 9.520 1.00 55.23 C ATOM 0 H ALA A 49 5.917 -8.000 9.169 1.00 30.15 H new ATOM 0 HA ALA A 49 5.226 -5.485 10.363 1.00 32.24 H new ATOM 0 HB1 ALA A 49 7.462 -4.860 9.591 1.00 55.23 H new ATOM 0 HB2 ALA A 49 7.478 -6.447 10.396 1.00 55.23 H new ATOM 0 HB3 ALA A 49 7.554 -6.349 8.621 1.00 55.23 H new ATOM 725 N ILE A 50 4.567 -5.899 7.278 1.00 21.04 N ATOM 726 CA ILE A 50 4.005 -5.284 6.088 1.00 62.44 C ATOM 727 C ILE A 50 2.693 -4.586 6.450 1.00 31.51 C ATOM 728 O ILE A 50 2.576 -3.369 6.318 1.00 21.12 O ATOM 729 CB ILE A 50 3.864 -6.317 4.968 1.00 74.14 C ATOM 730 CG1 ILE A 50 5.166 -7.097 4.773 1.00 52.54 C ATOM 731 CG2 ILE A 50 3.390 -5.658 3.671 1.00 45.25 C ATOM 732 CD1 ILE A 50 6.310 -6.162 4.377 1.00 4.50 C ATOM 0 H ILE A 50 4.554 -6.919 7.278 1.00 21.04 H new ATOM 0 HA ILE A 50 4.677 -4.518 5.701 1.00 62.44 H new ATOM 0 HB ILE A 50 3.100 -7.037 5.262 1.00 74.14 H new ATOM 0 HG12 ILE A 50 5.422 -7.621 5.694 1.00 52.54 H new ATOM 0 HG13 ILE A 50 5.028 -7.856 4.002 1.00 52.54 H new ATOM 0 HG21 ILE A 50 3.298 -6.414 2.891 1.00 45.25 H new ATOM 0 HG22 ILE A 50 2.421 -5.187 3.835 1.00 45.25 H new ATOM 0 HG23 ILE A 50 4.113 -4.903 3.361 1.00 45.25 H new ATOM 0 HD11 ILE A 50 7.224 -6.741 4.245 1.00 4.50 H new ATOM 0 HD12 ILE A 50 6.061 -5.658 3.443 1.00 4.50 H new ATOM 0 HD13 ILE A 50 6.461 -5.420 5.161 1.00 4.50 H new ATOM 744 N ILE A 51 1.738 -5.388 6.900 1.00 42.43 N ATOM 745 CA ILE A 51 0.439 -4.862 7.282 1.00 33.02 C ATOM 746 C ILE A 51 0.632 -3.623 8.158 1.00 3.32 C ATOM 747 O ILE A 51 0.169 -2.536 7.814 1.00 63.30 O ATOM 748 CB ILE A 51 -0.408 -5.954 7.940 1.00 54.54 C ATOM 749 CG1 ILE A 51 -0.333 -7.259 7.145 1.00 54.12 C ATOM 750 CG2 ILE A 51 -1.851 -5.484 8.136 1.00 73.00 C ATOM 751 CD1 ILE A 51 0.482 -8.312 7.897 1.00 64.53 C ATOM 0 H ILE A 51 1.839 -6.397 7.008 1.00 42.43 H new ATOM 0 HA ILE A 51 -0.118 -4.545 6.400 1.00 33.02 H new ATOM 0 HB ILE A 51 0.002 -6.156 8.929 1.00 54.54 H new ATOM 0 HG12 ILE A 51 -1.339 -7.636 6.961 1.00 54.12 H new ATOM 0 HG13 ILE A 51 0.119 -7.071 6.171 1.00 54.12 H new ATOM 0 HG21 ILE A 51 -2.432 -6.278 8.605 1.00 73.00 H new ATOM 0 HG22 ILE A 51 -1.862 -4.601 8.774 1.00 73.00 H new ATOM 0 HG23 ILE A 51 -2.288 -5.238 7.168 1.00 73.00 H new ATOM 0 HD11 ILE A 51 0.520 -9.230 7.310 1.00 64.53 H new ATOM 0 HD12 ILE A 51 1.495 -7.942 8.058 1.00 64.53 H new ATOM 0 HD13 ILE A 51 0.013 -8.516 8.860 1.00 64.53 H new ATOM 763 N ASP A 52 1.317 -3.827 9.274 1.00 42.02 N ATOM 764 CA ASP A 52 1.578 -2.740 10.202 1.00 52.43 C ATOM 765 C ASP A 52 1.923 -1.474 9.414 1.00 72.21 C ATOM 766 O ASP A 52 3.033 -1.341 8.902 1.00 42.20 O ATOM 767 CB ASP A 52 2.762 -3.066 11.114 1.00 12.01 C ATOM 768 CG ASP A 52 2.575 -4.299 12.000 1.00 33.31 C ATOM 769 OD1 ASP A 52 1.869 -4.253 13.019 1.00 50.14 O ATOM 770 OD2 ASP A 52 3.199 -5.356 11.602 1.00 35.02 O ATOM 0 H ASP A 52 1.699 -4.730 9.556 1.00 42.02 H new ATOM 0 HA ASP A 52 0.685 -2.594 10.809 1.00 52.43 H new ATOM 0 HB2 ASP A 52 3.648 -3.212 10.496 1.00 12.01 H new ATOM 0 HB3 ASP A 52 2.957 -2.205 11.753 1.00 12.01 H new ATOM 776 N GLN A 53 0.950 -0.577 9.342 1.00 64.25 N ATOM 777 CA GLN A 53 1.137 0.673 8.625 1.00 62.23 C ATOM 778 C GLN A 53 1.711 1.740 9.559 1.00 22.21 C ATOM 779 O GLN A 53 2.287 2.736 9.169 1.00 0.42 O ATOM 780 CB GLN A 53 -0.175 1.145 7.994 1.00 25.42 C ATOM 781 CG GLN A 53 -0.806 0.037 7.149 1.00 33.40 C ATOM 782 CD GLN A 53 -1.903 0.597 6.242 1.00 52.25 C ATOM 783 OE1 GLN A 53 -1.668 1.430 5.381 1.00 22.05 O ATOM 784 NE2 GLN A 53 -3.112 0.096 6.480 1.00 24.42 N ATOM 0 H GLN A 53 0.030 -0.691 9.768 1.00 64.25 H new ATOM 0 HA GLN A 53 1.850 0.503 7.818 1.00 62.23 H new ATOM 0 HB2 GLN A 53 -0.870 1.451 8.776 1.00 25.42 H new ATOM 0 HB3 GLN A 53 0.011 2.021 7.372 1.00 25.42 H new ATOM 0 HG2 GLN A 53 -0.039 -0.445 6.543 1.00 33.40 H new ATOM 0 HG3 GLN A 53 -1.225 -0.729 7.801 1.00 33.40 H new ATOM 0 HE21 GLN A 53 -3.240 -0.599 7.216 1.00 24.42 H new ATOM 0 HE22 GLN A 53 -3.911 0.406 5.927 1.00 24.42 H new ATOM 793 N ASP A 54 1.540 1.508 10.831 1.00 4.23 N ATOM 794 CA ASP A 54 2.060 2.470 11.844 1.00 53.22 C ATOM 795 C ASP A 54 3.110 1.787 12.725 1.00 23.41 C ATOM 796 O ASP A 54 3.784 2.495 13.472 1.00 62.33 O ATOM 797 CB ASP A 54 0.839 2.868 12.674 1.00 11.22 C ATOM 798 CG ASP A 54 0.355 1.663 13.483 1.00 43.43 C ATOM 799 OD1 ASP A 54 -0.662 1.097 13.116 1.00 43.35 O ATOM 800 OD2 ASP A 54 1.008 1.326 14.457 1.00 11.51 O ATOM 0 H ASP A 54 1.062 0.692 11.214 1.00 4.23 H new ATOM 0 HA ASP A 54 2.541 3.335 11.387 1.00 53.22 H new ATOM 0 HB2 ASP A 54 1.094 3.690 13.343 1.00 11.22 H new ATOM 0 HB3 ASP A 54 0.043 3.224 12.021 1.00 11.22 H new ATOM 805 N LYS A 55 3.226 0.470 12.633 1.00 43.14 N ATOM 806 CA LYS A 55 4.195 -0.254 13.438 1.00 71.31 C ATOM 807 C LYS A 55 3.919 0.009 14.919 1.00 11.55 C ATOM 808 O LYS A 55 4.794 0.482 15.643 1.00 23.42 O ATOM 809 CB LYS A 55 5.620 0.096 13.006 1.00 41.32 C ATOM 810 CG LYS A 55 5.677 0.412 11.510 1.00 45.41 C ATOM 811 CD LYS A 55 5.248 -0.797 10.677 1.00 23.11 C ATOM 812 CE LYS A 55 5.603 -0.600 9.202 1.00 75.53 C ATOM 813 NZ LYS A 55 4.838 0.532 8.632 1.00 63.43 N ATOM 0 H LYS A 55 2.665 -0.114 12.013 1.00 43.14 H new ATOM 0 HA LYS A 55 4.094 -1.328 13.280 1.00 71.31 H new ATOM 0 HB2 LYS A 55 5.977 0.954 13.576 1.00 41.32 H new ATOM 0 HB3 LYS A 55 6.287 -0.736 13.231 1.00 41.32 H new ATOM 0 HG2 LYS A 55 5.028 1.259 11.289 1.00 45.41 H new ATOM 0 HG3 LYS A 55 6.690 0.706 11.235 1.00 45.41 H new ATOM 0 HD2 LYS A 55 5.736 -1.695 11.055 1.00 23.11 H new ATOM 0 HD3 LYS A 55 4.174 -0.951 10.779 1.00 23.11 H new ATOM 0 HE2 LYS A 55 6.672 -0.412 9.101 1.00 75.53 H new ATOM 0 HE3 LYS A 55 5.386 -1.511 8.645 1.00 75.53 H new ATOM 0 HZ1 LYS A 55 5.209 0.761 7.688 1.00 63.43 H new ATOM 0 HZ2 LYS A 55 3.835 0.269 8.555 1.00 63.43 H new ATOM 0 HZ3 LYS A 55 4.932 1.362 9.252 1.00 63.43 H new ATOM 826 N SER A 56 2.698 -0.307 15.327 1.00 45.13 N ATOM 827 CA SER A 56 2.296 -0.110 16.709 1.00 42.00 C ATOM 828 C SER A 56 2.788 -1.276 17.568 1.00 23.34 C ATOM 829 O SER A 56 2.985 -1.125 18.773 1.00 1.41 O ATOM 830 CB SER A 56 0.777 0.031 16.826 1.00 43.43 C ATOM 831 OG SER A 56 0.090 -0.840 15.931 1.00 12.55 O ATOM 0 H SER A 56 1.974 -0.698 14.724 1.00 45.13 H new ATOM 0 HA SER A 56 2.748 0.814 17.068 1.00 42.00 H new ATOM 0 HB2 SER A 56 0.470 -0.185 17.849 1.00 43.43 H new ATOM 0 HB3 SER A 56 0.491 1.062 16.619 1.00 43.43 H new ATOM 0 HG SER A 56 0.041 -0.425 15.044 1.00 12.55 H new ATOM 837 N GLY A 57 2.973 -2.414 16.915 1.00 30.12 N ATOM 838 CA GLY A 57 3.438 -3.606 17.604 1.00 3.34 C ATOM 839 C GLY A 57 2.517 -4.795 17.326 1.00 31.04 C ATOM 840 O GLY A 57 2.974 -5.935 17.252 1.00 13.33 O ATOM 0 H GLY A 57 2.809 -2.536 15.916 1.00 30.12 H new ATOM 0 HA2 GLY A 57 4.452 -3.844 17.282 1.00 3.34 H new ATOM 0 HA3 GLY A 57 3.480 -3.417 18.677 1.00 3.34 H new ATOM 844 N PHE A 58 1.236 -4.489 17.180 1.00 42.11 N ATOM 845 CA PHE A 58 0.247 -5.518 16.912 1.00 75.54 C ATOM 846 C PHE A 58 -0.633 -5.136 15.719 1.00 30.24 C ATOM 847 O PHE A 58 -0.476 -4.058 15.148 1.00 34.13 O ATOM 848 CB PHE A 58 -0.630 -5.633 18.161 1.00 44.14 C ATOM 849 CG PHE A 58 0.026 -6.396 19.313 1.00 24.21 C ATOM 850 CD1 PHE A 58 1.085 -5.854 19.972 1.00 23.02 C ATOM 851 CD2 PHE A 58 -0.449 -7.617 19.678 1.00 13.22 C ATOM 852 CE1 PHE A 58 1.694 -6.562 21.042 1.00 61.43 C ATOM 853 CE2 PHE A 58 0.160 -8.325 20.748 1.00 74.33 C ATOM 854 CZ PHE A 58 1.218 -7.783 21.407 1.00 65.11 C ATOM 0 H PHE A 58 0.861 -3.543 17.242 1.00 42.11 H new ATOM 0 HA PHE A 58 0.744 -6.459 16.676 1.00 75.54 H new ATOM 0 HB2 PHE A 58 -0.890 -4.631 18.503 1.00 44.14 H new ATOM 0 HB3 PHE A 58 -1.562 -6.130 17.893 1.00 44.14 H new ATOM 0 HD1 PHE A 58 1.463 -4.885 19.682 1.00 23.02 H new ATOM 0 HD2 PHE A 58 -1.289 -8.048 19.154 1.00 13.22 H new ATOM 0 HE1 PHE A 58 2.535 -6.131 21.566 1.00 61.43 H new ATOM 0 HE2 PHE A 58 -0.218 -9.294 21.038 1.00 74.33 H new ATOM 0 HZ PHE A 58 1.681 -8.322 22.221 1.00 65.11 H new ATOM 864 N ILE A 59 -1.539 -6.041 15.379 1.00 21.10 N ATOM 865 CA ILE A 59 -2.443 -5.812 14.265 1.00 35.31 C ATOM 866 C ILE A 59 -3.882 -5.768 14.783 1.00 14.12 C ATOM 867 O ILE A 59 -4.611 -6.754 14.688 1.00 71.24 O ATOM 868 CB ILE A 59 -2.217 -6.854 13.168 1.00 23.30 C ATOM 869 CG1 ILE A 59 -1.007 -6.488 12.306 1.00 63.50 C ATOM 870 CG2 ILE A 59 -3.481 -7.050 12.328 1.00 24.22 C ATOM 871 CD1 ILE A 59 -0.671 -7.614 11.326 1.00 74.33 C ATOM 0 H ILE A 59 -1.666 -6.934 15.855 1.00 21.10 H new ATOM 0 HA ILE A 59 -2.240 -4.846 13.802 1.00 35.31 H new ATOM 0 HB ILE A 59 -1.996 -7.809 13.644 1.00 23.30 H new ATOM 0 HG12 ILE A 59 -1.213 -5.571 11.755 1.00 63.50 H new ATOM 0 HG13 ILE A 59 -0.147 -6.289 12.946 1.00 63.50 H new ATOM 0 HG21 ILE A 59 -3.293 -7.796 11.556 1.00 24.22 H new ATOM 0 HG22 ILE A 59 -4.295 -7.389 12.969 1.00 24.22 H new ATOM 0 HG23 ILE A 59 -3.757 -6.105 11.860 1.00 24.22 H new ATOM 0 HD11 ILE A 59 0.193 -7.328 10.726 1.00 74.33 H new ATOM 0 HD12 ILE A 59 -0.442 -8.523 11.881 1.00 74.33 H new ATOM 0 HD13 ILE A 59 -1.524 -7.794 10.672 1.00 74.33 H new ATOM 883 N GLU A 60 -4.249 -4.614 15.321 1.00 43.44 N ATOM 884 CA GLU A 60 -5.587 -4.428 15.854 1.00 55.42 C ATOM 885 C GLU A 60 -6.629 -4.980 14.879 1.00 62.15 C ATOM 886 O GLU A 60 -6.299 -5.332 13.747 1.00 54.11 O ATOM 887 CB GLU A 60 -5.854 -2.953 16.164 1.00 73.43 C ATOM 888 CG GLU A 60 -4.973 -2.467 17.316 1.00 34.13 C ATOM 889 CD GLU A 60 -3.651 -1.901 16.795 1.00 53.44 C ATOM 890 OE1 GLU A 60 -3.651 -0.898 16.065 1.00 73.11 O ATOM 891 OE2 GLU A 60 -2.597 -2.540 17.174 1.00 41.31 O ATOM 0 H GLU A 60 -3.642 -3.798 15.399 1.00 43.44 H new ATOM 0 HA GLU A 60 -5.664 -4.982 16.790 1.00 55.42 H new ATOM 0 HB2 GLU A 60 -5.663 -2.351 15.276 1.00 73.43 H new ATOM 0 HB3 GLU A 60 -6.904 -2.816 16.422 1.00 73.43 H new ATOM 0 HG2 GLU A 60 -5.501 -1.702 17.884 1.00 34.13 H new ATOM 0 HG3 GLU A 60 -4.775 -3.292 18.000 1.00 34.13 H new ATOM 899 N GLU A 61 -7.864 -5.039 15.353 1.00 75.11 N ATOM 900 CA GLU A 61 -8.956 -5.543 14.537 1.00 51.12 C ATOM 901 C GLU A 61 -9.231 -4.591 13.371 1.00 3.41 C ATOM 902 O GLU A 61 -9.507 -5.032 12.257 1.00 43.45 O ATOM 903 CB GLU A 61 -10.216 -5.757 15.378 1.00 21.10 C ATOM 904 CG GLU A 61 -11.354 -6.324 14.527 1.00 62.32 C ATOM 905 CD GLU A 61 -12.666 -6.352 15.314 1.00 63.43 C ATOM 906 OE1 GLU A 61 -12.725 -5.834 16.439 1.00 51.15 O ATOM 907 OE2 GLU A 61 -13.647 -6.938 14.716 1.00 34.32 O ATOM 0 H GLU A 61 -8.133 -4.746 16.292 1.00 75.11 H new ATOM 0 HA GLU A 61 -8.662 -6.510 14.130 1.00 51.12 H new ATOM 0 HB2 GLU A 61 -9.997 -6.439 16.200 1.00 21.10 H new ATOM 0 HB3 GLU A 61 -10.526 -4.811 15.822 1.00 21.10 H new ATOM 0 HG2 GLU A 61 -11.477 -5.719 13.629 1.00 62.32 H new ATOM 0 HG3 GLU A 61 -11.101 -7.332 14.200 1.00 62.32 H new ATOM 915 N GLU A 62 -9.145 -3.302 13.668 1.00 33.34 N ATOM 916 CA GLU A 62 -9.381 -2.284 12.659 1.00 71.10 C ATOM 917 C GLU A 62 -8.325 -2.376 11.555 1.00 35.24 C ATOM 918 O GLU A 62 -8.527 -1.865 10.455 1.00 45.21 O ATOM 919 CB GLU A 62 -9.401 -0.887 13.283 1.00 32.53 C ATOM 920 CG GLU A 62 -10.384 -0.824 14.454 1.00 30.32 C ATOM 921 CD GLU A 62 -10.957 0.585 14.614 1.00 42.42 C ATOM 922 OE1 GLU A 62 -12.017 0.891 14.049 1.00 54.32 O ATOM 923 OE2 GLU A 62 -10.260 1.376 15.357 1.00 3.32 O ATOM 0 H GLU A 62 -8.915 -2.940 14.593 1.00 33.34 H new ATOM 0 HA GLU A 62 -10.360 -2.461 12.214 1.00 71.10 H new ATOM 0 HB2 GLU A 62 -8.401 -0.625 13.628 1.00 32.53 H new ATOM 0 HB3 GLU A 62 -9.681 -0.152 12.529 1.00 32.53 H new ATOM 0 HG2 GLU A 62 -11.195 -1.534 14.291 1.00 30.32 H new ATOM 0 HG3 GLU A 62 -9.880 -1.122 15.373 1.00 30.32 H new ATOM 931 N GLU A 63 -7.223 -3.032 11.888 1.00 13.11 N ATOM 932 CA GLU A 63 -6.136 -3.198 10.939 1.00 43.41 C ATOM 933 C GLU A 63 -6.334 -4.476 10.122 1.00 30.12 C ATOM 934 O GLU A 63 -5.899 -4.558 8.975 1.00 43.43 O ATOM 935 CB GLU A 63 -4.782 -3.207 11.652 1.00 32.01 C ATOM 936 CG GLU A 63 -4.322 -1.784 11.974 1.00 42.24 C ATOM 937 CD GLU A 63 -2.849 -1.764 12.388 1.00 32.54 C ATOM 938 OE1 GLU A 63 -2.596 -1.433 13.567 1.00 41.13 O ATOM 939 OE2 GLU A 63 -2.010 -2.082 11.518 1.00 51.22 O ATOM 0 H GLU A 63 -7.060 -3.455 12.802 1.00 13.11 H new ATOM 0 HA GLU A 63 -6.144 -2.349 10.256 1.00 43.41 H new ATOM 0 HB2 GLU A 63 -4.856 -3.786 12.572 1.00 32.01 H new ATOM 0 HB3 GLU A 63 -4.040 -3.700 11.024 1.00 32.01 H new ATOM 0 HG2 GLU A 63 -4.467 -1.145 11.103 1.00 42.24 H new ATOM 0 HG3 GLU A 63 -4.935 -1.373 12.776 1.00 42.24 H new ATOM 946 N LEU A 64 -6.992 -5.443 10.746 1.00 45.42 N ATOM 947 CA LEU A 64 -7.253 -6.713 10.091 1.00 22.21 C ATOM 948 C LEU A 64 -7.959 -6.459 8.758 1.00 64.24 C ATOM 949 O LEU A 64 -7.446 -6.824 7.701 1.00 41.55 O ATOM 950 CB LEU A 64 -8.022 -7.649 11.026 1.00 70.25 C ATOM 951 CG LEU A 64 -7.176 -8.454 12.014 1.00 62.21 C ATOM 952 CD1 LEU A 64 -8.060 -9.162 13.043 1.00 4.51 C ATOM 953 CD2 LEU A 64 -6.257 -9.432 11.279 1.00 5.13 C ATOM 0 H LEU A 64 -7.352 -5.372 11.698 1.00 45.42 H new ATOM 0 HA LEU A 64 -6.318 -7.224 9.864 1.00 22.21 H new ATOM 0 HB2 LEU A 64 -8.740 -7.055 11.592 1.00 70.25 H new ATOM 0 HB3 LEU A 64 -8.596 -8.347 10.417 1.00 70.25 H new ATOM 0 HG LEU A 64 -6.537 -7.760 12.561 1.00 62.21 H new ATOM 0 HD11 LEU A 64 -7.434 -9.727 13.733 1.00 4.51 H new ATOM 0 HD12 LEU A 64 -8.636 -8.422 13.598 1.00 4.51 H new ATOM 0 HD13 LEU A 64 -8.741 -9.842 12.531 1.00 4.51 H new ATOM 0 HD21 LEU A 64 -5.667 -9.992 12.004 1.00 5.13 H new ATOM 0 HD22 LEU A 64 -6.859 -10.124 10.690 1.00 5.13 H new ATOM 0 HD23 LEU A 64 -5.590 -8.878 10.618 1.00 5.13 H new ATOM 965 N LYS A 65 -9.124 -5.836 8.851 1.00 71.03 N ATOM 966 CA LYS A 65 -9.905 -5.529 7.665 1.00 75.03 C ATOM 967 C LYS A 65 -9.020 -4.802 6.650 1.00 33.41 C ATOM 968 O LYS A 65 -9.311 -4.803 5.455 1.00 41.02 O ATOM 969 CB LYS A 65 -11.171 -4.756 8.042 1.00 43.10 C ATOM 970 CG LYS A 65 -10.854 -3.282 8.306 1.00 35.31 C ATOM 971 CD LYS A 65 -11.880 -2.664 9.258 1.00 0.42 C ATOM 972 CE LYS A 65 -13.206 -2.402 8.541 1.00 21.01 C ATOM 973 NZ LYS A 65 -14.056 -1.490 9.339 1.00 22.32 N ATOM 0 H LYS A 65 -9.546 -5.535 9.729 1.00 71.03 H new ATOM 0 HA LYS A 65 -10.250 -6.447 7.188 1.00 75.03 H new ATOM 0 HB2 LYS A 65 -11.903 -4.836 7.239 1.00 43.10 H new ATOM 0 HB3 LYS A 65 -11.622 -5.200 8.930 1.00 43.10 H new ATOM 0 HG2 LYS A 65 -9.855 -3.192 8.733 1.00 35.31 H new ATOM 0 HG3 LYS A 65 -10.849 -2.733 7.364 1.00 35.31 H new ATOM 0 HD2 LYS A 65 -12.045 -3.332 10.103 1.00 0.42 H new ATOM 0 HD3 LYS A 65 -11.490 -1.730 9.662 1.00 0.42 H new ATOM 0 HE2 LYS A 65 -13.016 -1.966 7.560 1.00 21.01 H new ATOM 0 HE3 LYS A 65 -13.729 -3.344 8.375 1.00 21.01 H new ATOM 0 HZ1 LYS A 65 -14.952 -1.323 8.838 1.00 22.32 H new ATOM 0 HZ2 LYS A 65 -14.252 -1.920 10.265 1.00 22.32 H new ATOM 0 HZ3 LYS A 65 -13.562 -0.585 9.475 1.00 22.32 H new ATOM 986 N LEU A 66 -7.958 -4.200 7.164 1.00 70.01 N ATOM 987 CA LEU A 66 -7.029 -3.471 6.318 1.00 64.25 C ATOM 988 C LEU A 66 -5.892 -4.404 5.895 1.00 42.23 C ATOM 989 O LEU A 66 -4.780 -3.951 5.625 1.00 13.03 O ATOM 990 CB LEU A 66 -6.551 -2.198 7.019 1.00 40.14 C ATOM 991 CG LEU A 66 -7.643 -1.323 7.638 1.00 71.31 C ATOM 992 CD1 LEU A 66 -7.043 -0.294 8.598 1.00 62.33 C ATOM 993 CD2 LEU A 66 -8.499 -0.665 6.554 1.00 62.03 C ATOM 0 H LEU A 66 -7.720 -4.202 8.156 1.00 70.01 H new ATOM 0 HA LEU A 66 -7.525 -3.138 5.406 1.00 64.25 H new ATOM 0 HB2 LEU A 66 -5.851 -2.481 7.805 1.00 40.14 H new ATOM 0 HB3 LEU A 66 -5.996 -1.597 6.299 1.00 40.14 H new ATOM 0 HG LEU A 66 -8.302 -1.964 8.224 1.00 71.31 H new ATOM 0 HD11 LEU A 66 -7.841 0.315 9.024 1.00 62.33 H new ATOM 0 HD12 LEU A 66 -6.513 -0.809 9.399 1.00 62.33 H new ATOM 0 HD13 LEU A 66 -6.347 0.347 8.056 1.00 62.33 H new ATOM 0 HD21 LEU A 66 -9.267 -0.049 7.021 1.00 62.03 H new ATOM 0 HD22 LEU A 66 -7.868 -0.041 5.921 1.00 62.03 H new ATOM 0 HD23 LEU A 66 -8.972 -1.436 5.946 1.00 62.03 H new ATOM 1005 N PHE A 67 -6.209 -5.689 5.850 1.00 75.24 N ATOM 1006 CA PHE A 67 -5.229 -6.690 5.464 1.00 4.52 C ATOM 1007 C PHE A 67 -4.884 -6.575 3.978 1.00 63.11 C ATOM 1008 O PHE A 67 -3.993 -7.268 3.488 1.00 33.44 O ATOM 1009 CB PHE A 67 -5.860 -8.059 5.725 1.00 4.42 C ATOM 1010 CG PHE A 67 -5.152 -9.215 5.017 1.00 62.33 C ATOM 1011 CD1 PHE A 67 -3.913 -9.605 5.422 1.00 53.03 C ATOM 1012 CD2 PHE A 67 -5.761 -9.854 3.982 1.00 41.21 C ATOM 1013 CE1 PHE A 67 -3.256 -10.678 4.764 1.00 33.42 C ATOM 1014 CE2 PHE A 67 -5.104 -10.927 3.324 1.00 21.33 C ATOM 1015 CZ PHE A 67 -3.865 -11.317 3.729 1.00 14.13 C ATOM 0 H PHE A 67 -7.132 -6.061 6.075 1.00 75.24 H new ATOM 0 HA PHE A 67 -4.311 -6.551 6.034 1.00 4.52 H new ATOM 0 HB2 PHE A 67 -5.860 -8.249 6.798 1.00 4.42 H new ATOM 0 HB3 PHE A 67 -6.902 -8.034 5.406 1.00 4.42 H new ATOM 0 HD1 PHE A 67 -3.429 -9.098 6.244 1.00 53.03 H new ATOM 0 HD2 PHE A 67 -6.745 -9.545 3.661 1.00 41.21 H new ATOM 0 HE1 PHE A 67 -2.272 -10.987 5.085 1.00 33.42 H new ATOM 0 HE2 PHE A 67 -5.588 -11.434 2.502 1.00 21.33 H new ATOM 0 HZ PHE A 67 -3.365 -12.133 3.229 1.00 14.13 H new ATOM 1025 N LEU A 68 -5.607 -5.695 3.301 1.00 1.14 N ATOM 1026 CA LEU A 68 -5.389 -5.481 1.881 1.00 43.31 C ATOM 1027 C LEU A 68 -4.524 -4.234 1.684 1.00 22.15 C ATOM 1028 O LEU A 68 -3.947 -4.036 0.616 1.00 21.42 O ATOM 1029 CB LEU A 68 -6.724 -5.427 1.136 1.00 41.51 C ATOM 1030 CG LEU A 68 -7.520 -6.732 1.090 1.00 61.50 C ATOM 1031 CD1 LEU A 68 -8.800 -6.565 0.270 1.00 75.42 C ATOM 1032 CD2 LEU A 68 -6.655 -7.884 0.574 1.00 43.02 C ATOM 0 H LEU A 68 -6.345 -5.122 3.710 1.00 1.14 H new ATOM 0 HA LEU A 68 -4.843 -6.320 1.449 1.00 43.31 H new ATOM 0 HB2 LEU A 68 -7.346 -4.662 1.600 1.00 41.51 H new ATOM 0 HB3 LEU A 68 -6.533 -5.105 0.112 1.00 41.51 H new ATOM 0 HG LEU A 68 -7.820 -6.985 2.107 1.00 61.50 H new ATOM 0 HD11 LEU A 68 -9.347 -7.508 0.253 1.00 75.42 H new ATOM 0 HD12 LEU A 68 -9.423 -5.792 0.721 1.00 75.42 H new ATOM 0 HD13 LEU A 68 -8.544 -6.276 -0.749 1.00 75.42 H new ATOM 0 HD21 LEU A 68 -7.245 -8.800 0.551 1.00 43.02 H new ATOM 0 HD22 LEU A 68 -6.304 -7.653 -0.432 1.00 43.02 H new ATOM 0 HD23 LEU A 68 -5.799 -8.020 1.235 1.00 43.02 H new ATOM 1044 N GLN A 69 -4.461 -3.425 2.732 1.00 21.41 N ATOM 1045 CA GLN A 69 -3.676 -2.203 2.688 1.00 31.32 C ATOM 1046 C GLN A 69 -2.205 -2.506 2.981 1.00 72.31 C ATOM 1047 O GLN A 69 -1.377 -1.598 3.020 1.00 64.01 O ATOM 1048 CB GLN A 69 -4.227 -1.163 3.666 1.00 44.25 C ATOM 1049 CG GLN A 69 -5.470 -0.478 3.094 1.00 5.52 C ATOM 1050 CD GLN A 69 -6.156 0.386 4.155 1.00 61.32 C ATOM 1051 OE1 GLN A 69 -5.530 0.930 5.049 1.00 0.33 O ATOM 1052 NE2 GLN A 69 -7.474 0.480 4.006 1.00 71.25 N ATOM 0 H GLN A 69 -4.941 -3.592 3.616 1.00 21.41 H new ATOM 0 HA GLN A 69 -3.747 -1.784 1.684 1.00 31.32 H new ATOM 0 HB2 GLN A 69 -4.475 -1.644 4.612 1.00 44.25 H new ATOM 0 HB3 GLN A 69 -3.461 -0.417 3.879 1.00 44.25 H new ATOM 0 HG2 GLN A 69 -5.189 0.141 2.242 1.00 5.52 H new ATOM 0 HG3 GLN A 69 -6.167 -1.230 2.726 1.00 5.52 H new ATOM 0 HE21 GLN A 69 -7.936 -0.001 3.234 1.00 71.25 H new ATOM 0 HE22 GLN A 69 -8.023 1.034 4.663 1.00 71.25 H new ATOM 1061 N ASN A 70 -1.926 -3.786 3.179 1.00 22.10 N ATOM 1062 CA ASN A 70 -0.569 -4.220 3.467 1.00 73.10 C ATOM 1063 C ASN A 70 0.208 -4.354 2.156 1.00 73.32 C ATOM 1064 O ASN A 70 1.320 -3.844 2.034 1.00 1.52 O ATOM 1065 CB ASN A 70 -0.563 -5.583 4.162 1.00 42.00 C ATOM 1066 CG ASN A 70 -1.808 -5.760 5.034 1.00 43.23 C ATOM 1067 OD1 ASN A 70 -2.348 -6.844 5.178 1.00 64.44 O ATOM 1068 ND2 ASN A 70 -2.232 -4.636 5.605 1.00 22.45 N ATOM 0 H ASN A 70 -2.616 -4.536 3.146 1.00 22.10 H new ATOM 0 HA ASN A 70 -0.110 -3.479 4.122 1.00 73.10 H new ATOM 0 HB2 ASN A 70 -0.522 -6.376 3.415 1.00 42.00 H new ATOM 0 HB3 ASN A 70 0.332 -5.678 4.777 1.00 42.00 H new ATOM 0 HD21 ASN A 70 -3.056 -4.649 6.206 1.00 22.45 H new ATOM 0 HD22 ASN A 70 -1.733 -3.762 5.442 1.00 22.45 H new ATOM 1075 N PHE A 71 -0.409 -5.044 1.208 1.00 60.34 N ATOM 1076 CA PHE A 71 0.211 -5.252 -0.090 1.00 71.20 C ATOM 1077 C PHE A 71 -0.019 -4.049 -1.007 1.00 3.35 C ATOM 1078 O PHE A 71 0.250 -4.116 -2.205 1.00 21.41 O ATOM 1079 CB PHE A 71 -0.452 -6.484 -0.710 1.00 24.01 C ATOM 1080 CG PHE A 71 -0.328 -7.751 0.139 1.00 2.23 C ATOM 1081 CD1 PHE A 71 -1.216 -7.987 1.142 1.00 51.22 C ATOM 1082 CD2 PHE A 71 0.670 -8.641 -0.108 1.00 44.44 C ATOM 1083 CE1 PHE A 71 -1.101 -9.162 1.930 1.00 71.41 C ATOM 1084 CE2 PHE A 71 0.785 -9.816 0.680 1.00 63.22 C ATOM 1085 CZ PHE A 71 -0.103 -10.052 1.682 1.00 21.33 C ATOM 0 H PHE A 71 -1.332 -5.466 1.313 1.00 60.34 H new ATOM 0 HA PHE A 71 1.286 -5.384 0.029 1.00 71.20 H new ATOM 0 HB2 PHE A 71 -1.508 -6.271 -0.875 1.00 24.01 H new ATOM 0 HB3 PHE A 71 -0.008 -6.669 -1.688 1.00 24.01 H new ATOM 0 HD1 PHE A 71 -2.009 -7.280 1.339 1.00 51.22 H new ATOM 0 HD2 PHE A 71 1.375 -8.454 -0.904 1.00 44.44 H new ATOM 0 HE1 PHE A 71 -1.806 -9.349 2.726 1.00 71.41 H new ATOM 0 HE2 PHE A 71 1.578 -10.522 0.484 1.00 63.22 H new ATOM 0 HZ PHE A 71 -0.016 -10.946 2.281 1.00 21.33 H new ATOM 1095 N LYS A 72 -0.513 -2.975 -0.408 1.00 34.32 N ATOM 1096 CA LYS A 72 -0.782 -1.759 -1.155 1.00 52.42 C ATOM 1097 C LYS A 72 -1.281 -0.676 -0.196 1.00 44.32 C ATOM 1098 O LYS A 72 -1.964 -0.974 0.782 1.00 22.41 O ATOM 1099 CB LYS A 72 -1.740 -2.042 -2.314 1.00 72.20 C ATOM 1100 CG LYS A 72 -1.455 -1.119 -3.500 1.00 45.21 C ATOM 1101 CD LYS A 72 -1.938 -1.744 -4.810 1.00 43.14 C ATOM 1102 CE LYS A 72 -1.927 -0.717 -5.945 1.00 23.15 C ATOM 1103 NZ LYS A 72 -2.474 0.576 -5.478 1.00 10.41 N ATOM 0 H LYS A 72 -0.734 -2.922 0.586 1.00 34.32 H new ATOM 0 HA LYS A 72 0.133 -1.384 -1.613 1.00 52.42 H new ATOM 0 HB2 LYS A 72 -1.641 -3.082 -2.626 1.00 72.20 H new ATOM 0 HB3 LYS A 72 -2.769 -1.905 -1.981 1.00 72.20 H new ATOM 0 HG2 LYS A 72 -1.950 -0.160 -3.346 1.00 45.21 H new ATOM 0 HG3 LYS A 72 -0.385 -0.919 -3.561 1.00 45.21 H new ATOM 0 HD2 LYS A 72 -1.299 -2.587 -5.072 1.00 43.14 H new ATOM 0 HD3 LYS A 72 -2.947 -2.136 -4.680 1.00 43.14 H new ATOM 0 HE2 LYS A 72 -0.909 -0.578 -6.308 1.00 23.15 H new ATOM 0 HE3 LYS A 72 -2.517 -1.087 -6.784 1.00 23.15 H new ATOM 0 HZ1 LYS A 72 -2.760 1.148 -6.298 1.00 10.41 H new ATOM 0 HZ2 LYS A 72 -3.300 0.404 -4.870 1.00 10.41 H new ATOM 0 HZ3 LYS A 72 -1.746 1.086 -4.937 1.00 10.41 H new ATOM 1116 N ALA A 73 -0.919 0.560 -0.510 1.00 74.22 N ATOM 1117 CA ALA A 73 -1.321 1.689 0.311 1.00 34.35 C ATOM 1118 C ALA A 73 -2.555 2.350 -0.307 1.00 1.24 C ATOM 1119 O ALA A 73 -2.461 3.435 -0.878 1.00 41.24 O ATOM 1120 CB ALA A 73 -0.148 2.660 0.453 1.00 12.53 C ATOM 0 H ALA A 73 -0.352 0.804 -1.322 1.00 74.22 H new ATOM 0 HA ALA A 73 -1.592 1.358 1.313 1.00 34.35 H new ATOM 0 HB1 ALA A 73 -0.450 3.507 1.069 1.00 12.53 H new ATOM 0 HB2 ALA A 73 0.692 2.149 0.924 1.00 12.53 H new ATOM 0 HB3 ALA A 73 0.151 3.016 -0.533 1.00 12.53 H new ATOM 1126 N GLY A 74 -3.683 1.669 -0.171 1.00 20.24 N ATOM 1127 CA GLY A 74 -4.934 2.177 -0.708 1.00 64.35 C ATOM 1128 C GLY A 74 -5.975 1.062 -0.820 1.00 74.32 C ATOM 1129 O GLY A 74 -7.176 1.322 -0.769 1.00 55.23 O ATOM 0 H GLY A 74 -3.757 0.769 0.304 1.00 20.24 H new ATOM 0 HA2 GLY A 74 -5.314 2.971 -0.065 1.00 64.35 H new ATOM 0 HA3 GLY A 74 -4.760 2.617 -1.690 1.00 64.35 H new ATOM 1133 N ALA A 75 -5.478 -0.157 -0.970 1.00 45.13 N ATOM 1134 CA ALA A 75 -6.350 -1.312 -1.090 1.00 33.54 C ATOM 1135 C ALA A 75 -7.526 -1.160 -0.122 1.00 62.41 C ATOM 1136 O ALA A 75 -7.364 -0.637 0.979 1.00 14.50 O ATOM 1137 CB ALA A 75 -5.546 -2.589 -0.834 1.00 1.54 C ATOM 0 H ALA A 75 -4.481 -0.370 -1.011 1.00 45.13 H new ATOM 0 HA ALA A 75 -6.759 -1.381 -2.098 1.00 33.54 H new ATOM 0 HB1 ALA A 75 -6.201 -3.456 -0.924 1.00 1.54 H new ATOM 0 HB2 ALA A 75 -4.741 -2.665 -1.565 1.00 1.54 H new ATOM 0 HB3 ALA A 75 -5.123 -2.557 0.170 1.00 1.54 H new ATOM 1143 N ARG A 76 -8.682 -1.628 -0.568 1.00 54.25 N ATOM 1144 CA ARG A 76 -9.885 -1.550 0.244 1.00 24.40 C ATOM 1145 C ARG A 76 -9.670 -2.265 1.580 1.00 45.03 C ATOM 1146 O ARG A 76 -8.559 -2.698 1.884 1.00 34.32 O ATOM 1147 CB ARG A 76 -11.078 -2.180 -0.477 1.00 51.10 C ATOM 1148 CG ARG A 76 -10.873 -3.684 -0.666 1.00 71.33 C ATOM 1149 CD ARG A 76 -12.211 -4.426 -0.655 1.00 54.21 C ATOM 1150 NE ARG A 76 -11.983 -5.881 -0.509 1.00 43.33 N ATOM 1151 CZ ARG A 76 -12.910 -6.751 -0.057 1.00 32.03 C ATOM 1152 NH1 ARG A 76 -12.597 -8.030 0.033 1.00 35.33 N ATOM 1153 NH2 ARG A 76 -14.139 -6.319 0.299 1.00 70.54 N ATOM 0 H ARG A 76 -8.812 -2.063 -1.482 1.00 54.25 H new ATOM 0 HA ARG A 76 -10.098 -0.496 0.422 1.00 24.40 H new ATOM 0 HB2 ARG A 76 -11.988 -2.003 0.096 1.00 51.10 H new ATOM 0 HB3 ARG A 76 -11.214 -1.703 -1.448 1.00 51.10 H new ATOM 0 HG2 ARG A 76 -10.359 -3.869 -1.609 1.00 71.33 H new ATOM 0 HG3 ARG A 76 -10.233 -4.070 0.127 1.00 71.33 H new ATOM 0 HD2 ARG A 76 -12.831 -4.063 0.165 1.00 54.21 H new ATOM 0 HD3 ARG A 76 -12.755 -4.226 -1.578 1.00 54.21 H new ATOM 0 HE ARG A 76 -11.067 -6.249 -0.766 1.00 43.33 H new ATOM 0 HH11 ARG A 76 -11.666 -8.347 -0.237 1.00 35.33 H new ATOM 0 HH12 ARG A 76 -13.286 -8.701 0.373 1.00 35.33 H new ATOM 0 HH21 ARG A 76 -14.372 -5.329 0.227 1.00 70.54 H new ATOM 0 HH22 ARG A 76 -14.834 -6.983 0.640 1.00 70.54 H new ATOM 1166 N ALA A 77 -10.749 -2.366 2.341 1.00 52.01 N ATOM 1167 CA ALA A 77 -10.693 -3.021 3.637 1.00 44.41 C ATOM 1168 C ALA A 77 -11.833 -4.035 3.741 1.00 13.14 C ATOM 1169 O ALA A 77 -12.998 -3.687 3.550 1.00 5.12 O ATOM 1170 CB ALA A 77 -10.747 -1.966 4.744 1.00 25.44 C ATOM 0 H ALA A 77 -11.668 -2.005 2.085 1.00 52.01 H new ATOM 0 HA ALA A 77 -9.756 -3.566 3.752 1.00 44.41 H new ATOM 0 HB1 ALA A 77 -10.705 -2.457 5.716 1.00 25.44 H new ATOM 0 HB2 ALA A 77 -9.899 -1.288 4.643 1.00 25.44 H new ATOM 0 HB3 ALA A 77 -11.675 -1.400 4.663 1.00 25.44 H new ATOM 1176 N LEU A 78 -11.459 -5.269 4.044 1.00 31.24 N ATOM 1177 CA LEU A 78 -12.436 -6.336 4.177 1.00 74.34 C ATOM 1178 C LEU A 78 -13.676 -5.801 4.896 1.00 41.31 C ATOM 1179 O LEU A 78 -13.604 -4.791 5.595 1.00 35.33 O ATOM 1180 CB LEU A 78 -11.810 -7.556 4.856 1.00 2.52 C ATOM 1181 CG LEU A 78 -10.687 -8.251 4.083 1.00 32.05 C ATOM 1182 CD1 LEU A 78 -10.998 -8.296 2.586 1.00 13.32 C ATOM 1183 CD2 LEU A 78 -9.336 -7.593 4.369 1.00 42.23 C ATOM 0 H LEU A 78 -10.492 -5.554 4.201 1.00 31.24 H new ATOM 0 HA LEU A 78 -12.760 -6.679 3.194 1.00 74.34 H new ATOM 0 HB2 LEU A 78 -11.420 -7.247 5.826 1.00 2.52 H new ATOM 0 HB3 LEU A 78 -12.598 -8.285 5.047 1.00 2.52 H new ATOM 0 HG LEU A 78 -10.622 -9.283 4.429 1.00 32.05 H new ATOM 0 HD11 LEU A 78 -10.184 -8.795 2.060 1.00 13.32 H new ATOM 0 HD12 LEU A 78 -11.925 -8.845 2.423 1.00 13.32 H new ATOM 0 HD13 LEU A 78 -11.106 -7.280 2.206 1.00 13.32 H new ATOM 0 HD21 LEU A 78 -8.555 -8.106 3.807 1.00 42.23 H new ATOM 0 HD22 LEU A 78 -9.371 -6.546 4.069 1.00 42.23 H new ATOM 0 HD23 LEU A 78 -9.118 -7.658 5.435 1.00 42.23 H new ATOM 1195 N SER A 79 -14.784 -6.501 4.699 1.00 4.44 N ATOM 1196 CA SER A 79 -16.037 -6.108 5.321 1.00 51.03 C ATOM 1197 C SER A 79 -15.980 -6.371 6.827 1.00 63.33 C ATOM 1198 O SER A 79 -14.927 -6.716 7.361 1.00 64.34 O ATOM 1199 CB SER A 79 -17.218 -6.853 4.696 1.00 34.22 C ATOM 1200 OG SER A 79 -18.465 -6.432 5.243 1.00 1.24 O ATOM 0 H SER A 79 -14.840 -7.337 4.118 1.00 4.44 H new ATOM 0 HA SER A 79 -16.183 -5.041 5.151 1.00 51.03 H new ATOM 0 HB2 SER A 79 -17.221 -6.689 3.618 1.00 34.22 H new ATOM 0 HB3 SER A 79 -17.096 -7.924 4.855 1.00 34.22 H new ATOM 0 HG SER A 79 -19.194 -6.930 4.817 1.00 1.24 H new ATOM 1206 N ASP A 80 -17.125 -6.199 7.469 1.00 14.54 N ATOM 1207 CA ASP A 80 -17.219 -6.413 8.903 1.00 22.24 C ATOM 1208 C ASP A 80 -17.275 -7.916 9.187 1.00 3.53 C ATOM 1209 O ASP A 80 -16.789 -8.374 10.220 1.00 20.30 O ATOM 1210 CB ASP A 80 -18.488 -5.777 9.474 1.00 3.30 C ATOM 1211 CG ASP A 80 -18.725 -4.323 9.060 1.00 63.15 C ATOM 1212 OD1 ASP A 80 -19.874 -3.873 8.937 1.00 24.03 O ATOM 1213 OD2 ASP A 80 -17.654 -3.633 8.856 1.00 51.21 O ATOM 0 H ASP A 80 -17.997 -5.914 7.023 1.00 14.54 H new ATOM 0 HA ASP A 80 -16.346 -5.957 9.370 1.00 22.24 H new ATOM 0 HB2 ASP A 80 -19.346 -6.372 9.163 1.00 3.30 H new ATOM 0 HB3 ASP A 80 -18.443 -5.827 10.562 1.00 3.30 H new ATOM 1219 N ALA A 81 -17.871 -8.640 8.252 1.00 34.23 N ATOM 1220 CA ALA A 81 -17.997 -10.081 8.389 1.00 71.30 C ATOM 1221 C ALA A 81 -16.695 -10.747 7.939 1.00 33.41 C ATOM 1222 O ALA A 81 -16.254 -11.725 8.541 1.00 61.21 O ATOM 1223 CB ALA A 81 -19.207 -10.567 7.588 1.00 13.43 C ATOM 0 H ALA A 81 -18.272 -8.256 7.396 1.00 34.23 H new ATOM 0 HA ALA A 81 -18.165 -10.354 9.431 1.00 71.30 H new ATOM 0 HB1 ALA A 81 -19.301 -11.648 7.691 1.00 13.43 H new ATOM 0 HB2 ALA A 81 -20.110 -10.087 7.965 1.00 13.43 H new ATOM 0 HB3 ALA A 81 -19.073 -10.313 6.536 1.00 13.43 H new ATOM 1229 N GLU A 82 -16.117 -10.191 6.885 1.00 70.32 N ATOM 1230 CA GLU A 82 -14.875 -10.719 6.347 1.00 25.23 C ATOM 1231 C GLU A 82 -13.761 -10.622 7.392 1.00 63.03 C ATOM 1232 O GLU A 82 -13.022 -11.581 7.607 1.00 25.31 O ATOM 1233 CB GLU A 82 -14.482 -9.994 5.059 1.00 55.44 C ATOM 1234 CG GLU A 82 -15.431 -10.357 3.914 1.00 23.53 C ATOM 1235 CD GLU A 82 -15.399 -9.292 2.816 1.00 20.43 C ATOM 1236 OE1 GLU A 82 -16.439 -8.694 2.502 1.00 20.54 O ATOM 1237 OE2 GLU A 82 -14.241 -9.093 2.283 1.00 33.13 O ATOM 0 H GLU A 82 -16.486 -9.380 6.389 1.00 70.32 H new ATOM 0 HA GLU A 82 -15.027 -11.770 6.101 1.00 25.23 H new ATOM 0 HB2 GLU A 82 -14.500 -8.917 5.224 1.00 55.44 H new ATOM 0 HB3 GLU A 82 -13.460 -10.257 4.786 1.00 55.44 H new ATOM 0 HG2 GLU A 82 -15.149 -11.324 3.496 1.00 23.53 H new ATOM 0 HG3 GLU A 82 -16.446 -10.459 4.297 1.00 23.53 H new ATOM 1245 N THR A 83 -13.676 -9.455 8.013 1.00 43.22 N ATOM 1246 CA THR A 83 -12.664 -9.220 9.030 1.00 55.05 C ATOM 1247 C THR A 83 -12.976 -10.030 10.289 1.00 35.31 C ATOM 1248 O THR A 83 -12.084 -10.310 11.089 1.00 55.43 O ATOM 1249 CB THR A 83 -12.587 -7.713 9.280 1.00 13.33 C ATOM 1250 OG1 THR A 83 -12.148 -7.176 8.036 1.00 40.34 O ATOM 1251 CG2 THR A 83 -11.474 -7.338 10.261 1.00 33.41 C ATOM 0 H THR A 83 -14.291 -8.662 7.832 1.00 43.22 H new ATOM 0 HA THR A 83 -11.683 -9.559 8.698 1.00 55.05 H new ATOM 0 HB THR A 83 -13.544 -7.360 9.664 1.00 13.33 H new ATOM 0 HG1 THR A 83 -12.924 -6.882 7.515 1.00 40.34 H new ATOM 0 HG21 THR A 83 -11.463 -6.257 10.403 1.00 33.41 H new ATOM 0 HG22 THR A 83 -11.652 -7.828 11.218 1.00 33.41 H new ATOM 0 HG23 THR A 83 -10.513 -7.661 9.861 1.00 33.41 H new ATOM 1259 N LYS A 84 -14.246 -10.385 10.426 1.00 24.15 N ATOM 1260 CA LYS A 84 -14.686 -11.158 11.575 1.00 15.13 C ATOM 1261 C LYS A 84 -14.026 -12.537 11.540 1.00 23.45 C ATOM 1262 O LYS A 84 -13.317 -12.914 12.472 1.00 3.25 O ATOM 1263 CB LYS A 84 -16.215 -11.209 11.632 1.00 24.20 C ATOM 1264 CG LYS A 84 -16.768 -10.097 12.525 1.00 3.14 C ATOM 1265 CD LYS A 84 -18.270 -9.911 12.303 1.00 41.24 C ATOM 1266 CE LYS A 84 -18.938 -9.312 13.542 1.00 21.31 C ATOM 1267 NZ LYS A 84 -20.383 -9.103 13.302 1.00 52.23 N ATOM 0 H LYS A 84 -14.983 -10.152 9.761 1.00 24.15 H new ATOM 0 HA LYS A 84 -14.371 -10.677 12.501 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -16.623 -11.110 10.626 1.00 24.20 H new ATOM 0 HB3 LYS A 84 -16.536 -12.179 12.012 1.00 24.20 H new ATOM 0 HG2 LYS A 84 -16.579 -10.338 13.571 1.00 3.14 H new ATOM 0 HG3 LYS A 84 -16.247 -9.163 12.314 1.00 3.14 H new ATOM 0 HD2 LYS A 84 -18.436 -9.259 11.445 1.00 41.24 H new ATOM 0 HD3 LYS A 84 -18.728 -10.872 12.067 1.00 41.24 H new ATOM 0 HE2 LYS A 84 -18.797 -9.976 14.395 1.00 21.31 H new ATOM 0 HE3 LYS A 84 -18.464 -8.363 13.795 1.00 21.31 H new ATOM 0 HZ1 LYS A 84 -20.821 -8.696 14.153 1.00 52.23 H new ATOM 0 HZ2 LYS A 84 -20.511 -8.452 12.501 1.00 52.23 H new ATOM 0 HZ3 LYS A 84 -20.834 -10.014 13.083 1.00 52.23 H new ATOM 1280 N ALA A 85 -14.282 -13.254 10.456 1.00 42.33 N ATOM 1281 CA ALA A 85 -13.721 -14.583 10.287 1.00 23.41 C ATOM 1282 C ALA A 85 -12.196 -14.483 10.215 1.00 63.33 C ATOM 1283 O ALA A 85 -11.496 -15.480 10.389 1.00 3.43 O ATOM 1284 CB ALA A 85 -14.322 -15.237 9.041 1.00 20.24 C ATOM 0 H ALA A 85 -14.871 -12.939 9.685 1.00 42.33 H new ATOM 0 HA ALA A 85 -13.970 -15.215 11.139 1.00 23.41 H new ATOM 0 HB1 ALA A 85 -13.901 -16.234 8.914 1.00 20.24 H new ATOM 0 HB2 ALA A 85 -15.403 -15.312 9.155 1.00 20.24 H new ATOM 0 HB3 ALA A 85 -14.090 -14.632 8.165 1.00 20.24 H new ATOM 1290 N PHE A 86 -11.726 -13.272 9.957 1.00 43.31 N ATOM 1291 CA PHE A 86 -10.297 -13.029 9.859 1.00 5.52 C ATOM 1292 C PHE A 86 -9.677 -12.834 11.245 1.00 74.02 C ATOM 1293 O PHE A 86 -8.579 -13.319 11.511 1.00 3.43 O ATOM 1294 CB PHE A 86 -10.116 -11.744 9.048 1.00 1.10 C ATOM 1295 CG PHE A 86 -8.812 -11.691 8.248 1.00 34.14 C ATOM 1296 CD1 PHE A 86 -7.813 -12.574 8.517 1.00 14.25 C ATOM 1297 CD2 PHE A 86 -8.653 -10.761 7.269 1.00 61.32 C ATOM 1298 CE1 PHE A 86 -6.604 -12.525 7.775 1.00 3.34 C ATOM 1299 CE2 PHE A 86 -7.443 -10.712 6.527 1.00 72.22 C ATOM 1300 CZ PHE A 86 -6.444 -11.595 6.796 1.00 51.12 C ATOM 0 H PHE A 86 -12.310 -12.448 9.813 1.00 43.31 H new ATOM 0 HA PHE A 86 -9.807 -13.881 9.387 1.00 5.52 H new ATOM 0 HB2 PHE A 86 -10.956 -11.639 8.361 1.00 1.10 H new ATOM 0 HB3 PHE A 86 -10.149 -10.891 9.726 1.00 1.10 H new ATOM 0 HD1 PHE A 86 -7.940 -13.312 9.295 1.00 14.25 H new ATOM 0 HD2 PHE A 86 -9.446 -10.060 7.056 1.00 61.32 H new ATOM 0 HE1 PHE A 86 -5.811 -13.227 7.988 1.00 3.34 H new ATOM 0 HE2 PHE A 86 -7.316 -9.974 5.749 1.00 72.22 H new ATOM 0 HZ PHE A 86 -5.524 -11.557 6.232 1.00 51.12 H new ATOM 1310 N LEU A 87 -10.409 -12.124 12.090 1.00 15.15 N ATOM 1311 CA LEU A 87 -9.946 -11.859 13.442 1.00 70.40 C ATOM 1312 C LEU A 87 -9.740 -13.187 14.175 1.00 43.43 C ATOM 1313 O LEU A 87 -8.618 -13.527 14.546 1.00 45.20 O ATOM 1314 CB LEU A 87 -10.902 -10.903 14.159 1.00 62.44 C ATOM 1315 CG LEU A 87 -10.597 -10.630 15.633 1.00 43.02 C ATOM 1316 CD1 LEU A 87 -9.224 -9.974 15.796 1.00 32.12 C ATOM 1317 CD2 LEU A 87 -11.709 -9.801 16.278 1.00 3.32 C ATOM 0 H LEU A 87 -11.320 -11.724 11.865 1.00 15.15 H new ATOM 0 HA LEU A 87 -8.981 -11.352 13.422 1.00 70.40 H new ATOM 0 HB2 LEU A 87 -10.901 -9.952 13.626 1.00 62.44 H new ATOM 0 HB3 LEU A 87 -11.911 -11.308 14.086 1.00 62.44 H new ATOM 0 HG LEU A 87 -10.562 -11.585 16.158 1.00 43.02 H new ATOM 0 HD11 LEU A 87 -9.032 -9.791 16.853 1.00 32.12 H new ATOM 0 HD12 LEU A 87 -8.455 -10.635 15.397 1.00 32.12 H new ATOM 0 HD13 LEU A 87 -9.206 -9.028 15.254 1.00 32.12 H new ATOM 0 HD21 LEU A 87 -11.468 -9.621 17.326 1.00 3.32 H new ATOM 0 HD22 LEU A 87 -11.801 -8.848 15.758 1.00 3.32 H new ATOM 0 HD23 LEU A 87 -12.652 -10.343 16.211 1.00 3.32 H new ATOM 1329 N LYS A 88 -10.840 -13.900 14.361 1.00 73.32 N ATOM 1330 CA LYS A 88 -10.794 -15.183 15.043 1.00 52.25 C ATOM 1331 C LYS A 88 -9.801 -16.100 14.327 1.00 61.41 C ATOM 1332 O LYS A 88 -9.044 -16.825 14.972 1.00 52.14 O ATOM 1333 CB LYS A 88 -12.200 -15.775 15.166 1.00 44.23 C ATOM 1334 CG LYS A 88 -12.743 -15.606 16.586 1.00 53.41 C ATOM 1335 CD LYS A 88 -12.853 -16.957 17.296 1.00 51.44 C ATOM 1336 CE LYS A 88 -13.963 -16.934 18.349 1.00 64.02 C ATOM 1337 NZ LYS A 88 -13.774 -15.796 19.276 1.00 22.12 N ATOM 0 H LYS A 88 -11.769 -13.614 14.052 1.00 73.32 H new ATOM 0 HA LYS A 88 -10.435 -15.059 16.065 1.00 52.25 H new ATOM 0 HB2 LYS A 88 -12.868 -15.286 14.457 1.00 44.23 H new ATOM 0 HB3 LYS A 88 -12.177 -16.833 14.905 1.00 44.23 H new ATOM 0 HG2 LYS A 88 -12.088 -14.945 17.153 1.00 53.41 H new ATOM 0 HG3 LYS A 88 -13.723 -15.129 16.550 1.00 53.41 H new ATOM 0 HD2 LYS A 88 -13.056 -17.740 16.566 1.00 51.44 H new ATOM 0 HD3 LYS A 88 -11.902 -17.201 17.770 1.00 51.44 H new ATOM 0 HE2 LYS A 88 -14.934 -16.855 17.861 1.00 64.02 H new ATOM 0 HE3 LYS A 88 -13.962 -17.870 18.908 1.00 64.02 H new ATOM 0 HZ1 LYS A 88 -14.405 -15.907 20.095 1.00 22.12 H new ATOM 0 HZ2 LYS A 88 -12.786 -15.773 19.600 1.00 22.12 H new ATOM 0 HZ3 LYS A 88 -13.998 -14.907 18.785 1.00 22.12 H new ATOM 1350 N ALA A 89 -9.835 -16.040 13.004 1.00 54.41 N ATOM 1351 CA ALA A 89 -8.947 -16.856 12.194 1.00 75.13 C ATOM 1352 C ALA A 89 -7.558 -16.881 12.834 1.00 33.24 C ATOM 1353 O ALA A 89 -6.959 -17.945 12.984 1.00 0.22 O ATOM 1354 CB ALA A 89 -8.920 -16.315 10.763 1.00 61.22 C ATOM 0 H ALA A 89 -10.464 -15.438 12.472 1.00 54.41 H new ATOM 0 HA ALA A 89 -9.307 -17.884 12.147 1.00 75.13 H new ATOM 0 HB1 ALA A 89 -8.254 -16.927 10.155 1.00 61.22 H new ATOM 0 HB2 ALA A 89 -9.925 -16.346 10.343 1.00 61.22 H new ATOM 0 HB3 ALA A 89 -8.562 -15.286 10.770 1.00 61.22 H new ATOM 1360 N GLY A 90 -7.087 -15.697 13.195 1.00 2.25 N ATOM 1361 CA GLY A 90 -5.779 -15.569 13.817 1.00 74.54 C ATOM 1362 C GLY A 90 -5.902 -15.474 15.339 1.00 75.12 C ATOM 1363 O GLY A 90 -5.457 -16.367 16.058 1.00 10.22 O ATOM 0 H GLY A 90 -7.587 -14.817 13.069 1.00 2.25 H new ATOM 0 HA2 GLY A 90 -5.161 -16.427 13.551 1.00 74.54 H new ATOM 0 HA3 GLY A 90 -5.275 -14.682 13.433 1.00 74.54 H new ATOM 1367 N ASP A 91 -6.509 -14.384 15.784 1.00 10.33 N ATOM 1368 CA ASP A 91 -6.696 -14.160 17.208 1.00 73.22 C ATOM 1369 C ASP A 91 -7.648 -15.220 17.765 1.00 32.42 C ATOM 1370 O ASP A 91 -8.866 -15.052 17.720 1.00 3.24 O ATOM 1371 CB ASP A 91 -7.313 -12.785 17.473 1.00 64.21 C ATOM 1372 CG ASP A 91 -6.828 -12.095 18.750 1.00 54.25 C ATOM 1373 OD1 ASP A 91 -5.712 -12.346 19.227 1.00 31.24 O ATOM 1374 OD2 ASP A 91 -7.661 -11.255 19.265 1.00 73.32 O ATOM 0 H ASP A 91 -6.878 -13.646 15.184 1.00 10.33 H new ATOM 0 HA ASP A 91 -5.720 -14.216 17.690 1.00 73.22 H new ATOM 0 HB2 ASP A 91 -7.098 -12.137 16.623 1.00 64.21 H new ATOM 0 HB3 ASP A 91 -8.396 -12.893 17.525 1.00 64.21 H new ATOM 1380 N SER A 92 -7.057 -16.290 18.278 1.00 50.42 N ATOM 1381 CA SER A 92 -7.837 -17.377 18.843 1.00 32.24 C ATOM 1382 C SER A 92 -7.854 -17.271 20.370 1.00 44.24 C ATOM 1383 O SER A 92 -8.354 -18.105 21.097 1.00 35.42 O ATOM 1384 CB SER A 92 -7.282 -18.736 18.412 1.00 4.20 C ATOM 1385 OG SER A 92 -8.018 -19.817 18.977 1.00 62.41 O ATOM 0 H SER A 92 -6.047 -16.427 18.314 1.00 50.42 H new ATOM 0 HA SER A 92 -8.857 -17.296 18.468 1.00 32.24 H new ATOM 0 HB2 SER A 92 -7.307 -18.809 17.325 1.00 4.20 H new ATOM 0 HB3 SER A 92 -6.237 -18.813 18.713 1.00 4.20 H new ATOM 0 HG SER A 92 -8.308 -19.577 19.882 1.00 62.41 H new ATOM 1391 N ASP A 93 -7.283 -16.203 20.854 1.00 43.41 N ATOM 1392 CA ASP A 93 -7.238 -15.980 22.327 1.00 55.45 C ATOM 1393 C ASP A 93 -8.295 -14.946 22.732 1.00 61.35 C ATOM 1394 O ASP A 93 -8.481 -14.753 23.932 1.00 24.10 O ATOM 1395 CB ASP A 93 -5.832 -15.447 22.604 1.00 33.11 C ATOM 1396 CG ASP A 93 -5.746 -13.981 22.175 1.00 34.44 C ATOM 1397 OD1 ASP A 93 -5.115 -13.213 22.883 1.00 62.12 O ATOM 1398 OD2 ASP A 93 -6.315 -13.650 21.148 1.00 44.42 O ATOM 0 H ASP A 93 -6.845 -15.473 20.292 1.00 43.41 H new ATOM 0 HA ASP A 93 -7.446 -16.889 22.892 1.00 55.45 H new ATOM 0 HB2 ASP A 93 -5.599 -15.540 23.665 1.00 33.11 H new ATOM 0 HB3 ASP A 93 -5.094 -16.039 22.062 1.00 33.11 H new ATOM 1403 N GLY A 94 -8.943 -14.318 21.761 1.00 22.44 N ATOM 1404 CA GLY A 94 -9.956 -13.321 22.062 1.00 43.35 C ATOM 1405 C GLY A 94 -9.342 -12.113 22.773 1.00 70.02 C ATOM 1406 O GLY A 94 -9.828 -11.693 23.821 1.00 14.44 O ATOM 0 H GLY A 94 -8.786 -14.480 20.766 1.00 22.44 H new ATOM 0 HA2 GLY A 94 -10.439 -12.998 21.140 1.00 43.35 H new ATOM 0 HA3 GLY A 94 -10.730 -13.762 22.690 1.00 43.35 H new ATOM 1410 N ASP A 95 -8.283 -11.589 22.174 1.00 62.23 N ATOM 1411 CA ASP A 95 -7.598 -10.438 22.737 1.00 65.22 C ATOM 1412 C ASP A 95 -7.973 -9.187 21.941 1.00 53.31 C ATOM 1413 O ASP A 95 -7.751 -8.066 22.397 1.00 23.42 O ATOM 1414 CB ASP A 95 -6.079 -10.609 22.660 1.00 71.22 C ATOM 1415 CG ASP A 95 -5.281 -9.304 22.641 1.00 55.31 C ATOM 1416 OD1 ASP A 95 -4.352 -9.135 21.838 1.00 4.02 O ATOM 1417 OD2 ASP A 95 -5.654 -8.425 23.509 1.00 41.34 O ATOM 0 H ASP A 95 -7.882 -11.940 21.304 1.00 62.23 H new ATOM 0 HA ASP A 95 -7.898 -10.344 23.781 1.00 65.22 H new ATOM 0 HB2 ASP A 95 -5.752 -11.205 23.512 1.00 71.22 H new ATOM 0 HB3 ASP A 95 -5.838 -11.178 21.762 1.00 71.22 H new ATOM 1423 N GLY A 96 -8.537 -9.420 20.765 1.00 42.54 N ATOM 1424 CA GLY A 96 -8.946 -8.325 19.901 1.00 44.12 C ATOM 1425 C GLY A 96 -7.809 -7.913 18.962 1.00 34.24 C ATOM 1426 O GLY A 96 -8.055 -7.394 17.875 1.00 72.35 O ATOM 0 H GLY A 96 -8.720 -10.351 20.390 1.00 42.54 H new ATOM 0 HA2 GLY A 96 -9.815 -8.624 19.316 1.00 44.12 H new ATOM 0 HA3 GLY A 96 -9.249 -7.472 20.508 1.00 44.12 H new ATOM 1430 N LYS A 97 -6.590 -8.160 19.418 1.00 41.13 N ATOM 1431 CA LYS A 97 -5.415 -7.821 18.632 1.00 31.34 C ATOM 1432 C LYS A 97 -4.772 -9.106 18.105 1.00 1.43 C ATOM 1433 O LYS A 97 -4.869 -10.157 18.736 1.00 31.01 O ATOM 1434 CB LYS A 97 -4.461 -6.945 19.446 1.00 10.13 C ATOM 1435 CG LYS A 97 -5.202 -5.762 20.072 1.00 54.52 C ATOM 1436 CD LYS A 97 -4.363 -5.108 21.171 1.00 0.14 C ATOM 1437 CE LYS A 97 -4.458 -5.900 22.477 1.00 5.21 C ATOM 1438 NZ LYS A 97 -5.594 -5.418 23.294 1.00 22.31 N ATOM 0 H LYS A 97 -6.390 -8.590 20.321 1.00 41.13 H new ATOM 0 HA LYS A 97 -5.696 -7.225 17.764 1.00 31.34 H new ATOM 0 HB2 LYS A 97 -3.993 -7.541 20.229 1.00 10.13 H new ATOM 0 HB3 LYS A 97 -3.661 -6.578 18.803 1.00 10.13 H new ATOM 0 HG2 LYS A 97 -5.436 -5.027 19.302 1.00 54.52 H new ATOM 0 HG3 LYS A 97 -6.151 -6.101 20.488 1.00 54.52 H new ATOM 0 HD2 LYS A 97 -3.322 -5.048 20.852 1.00 0.14 H new ATOM 0 HD3 LYS A 97 -4.705 -4.086 21.335 1.00 0.14 H new ATOM 0 HE2 LYS A 97 -4.584 -6.960 22.258 1.00 5.21 H new ATOM 0 HE3 LYS A 97 -3.529 -5.799 23.039 1.00 5.21 H new ATOM 0 HZ1 LYS A 97 -6.094 -6.231 23.707 1.00 22.31 H new ATOM 0 HZ2 LYS A 97 -5.238 -4.807 24.057 1.00 22.31 H new ATOM 0 HZ3 LYS A 97 -6.249 -4.877 22.694 1.00 22.31 H new ATOM 1451 N ILE A 98 -4.129 -8.978 16.954 1.00 41.01 N ATOM 1452 CA ILE A 98 -3.470 -10.115 16.335 1.00 62.33 C ATOM 1453 C ILE A 98 -1.962 -9.860 16.284 1.00 31.13 C ATOM 1454 O ILE A 98 -1.518 -8.848 15.745 1.00 41.04 O ATOM 1455 CB ILE A 98 -4.089 -10.415 14.968 1.00 40.51 C ATOM 1456 CG1 ILE A 98 -5.397 -11.195 15.117 1.00 3.34 C ATOM 1457 CG2 ILE A 98 -3.091 -11.137 14.060 1.00 12.43 C ATOM 1458 CD1 ILE A 98 -5.856 -11.758 13.771 1.00 23.51 C ATOM 0 H ILE A 98 -4.050 -8.104 16.434 1.00 41.01 H new ATOM 0 HA ILE A 98 -3.622 -11.014 16.932 1.00 62.33 H new ATOM 0 HB ILE A 98 -4.333 -9.467 14.488 1.00 40.51 H new ATOM 0 HG12 ILE A 98 -5.260 -12.010 15.828 1.00 3.34 H new ATOM 0 HG13 ILE A 98 -6.169 -10.543 15.525 1.00 3.34 H new ATOM 0 HG21 ILE A 98 -3.556 -11.338 13.095 1.00 12.43 H new ATOM 0 HG22 ILE A 98 -2.211 -10.510 13.915 1.00 12.43 H new ATOM 0 HG23 ILE A 98 -2.793 -12.078 14.522 1.00 12.43 H new ATOM 0 HD11 ILE A 98 -6.788 -12.308 13.905 1.00 23.51 H new ATOM 0 HD12 ILE A 98 -6.016 -10.939 13.070 1.00 23.51 H new ATOM 0 HD13 ILE A 98 -5.092 -12.429 13.378 1.00 23.51 H new ATOM 1470 N GLY A 99 -1.217 -10.796 16.854 1.00 44.41 N ATOM 1471 CA GLY A 99 0.232 -10.685 16.881 1.00 50.23 C ATOM 1472 C GLY A 99 0.866 -11.506 15.756 1.00 54.54 C ATOM 1473 O GLY A 99 0.190 -11.879 14.798 1.00 14.41 O ATOM 0 H GLY A 99 -1.589 -11.634 17.300 1.00 44.41 H new ATOM 0 HA2 GLY A 99 0.522 -9.639 16.781 1.00 50.23 H new ATOM 0 HA3 GLY A 99 0.609 -11.029 17.844 1.00 50.23 H new ATOM 1477 N ILE A 100 2.156 -11.763 15.909 1.00 43.34 N ATOM 1478 CA ILE A 100 2.889 -12.532 14.917 1.00 33.55 C ATOM 1479 C ILE A 100 2.632 -14.024 15.144 1.00 11.44 C ATOM 1480 O ILE A 100 2.398 -14.769 14.194 1.00 42.41 O ATOM 1481 CB ILE A 100 4.371 -12.154 14.934 1.00 61.33 C ATOM 1482 CG1 ILE A 100 5.003 -12.354 13.555 1.00 40.24 C ATOM 1483 CG2 ILE A 100 5.121 -12.922 16.024 1.00 31.13 C ATOM 1484 CD1 ILE A 100 5.259 -13.837 13.278 1.00 1.41 C ATOM 0 H ILE A 100 2.713 -11.453 16.705 1.00 43.34 H new ATOM 0 HA ILE A 100 2.535 -12.296 13.913 1.00 33.55 H new ATOM 0 HB ILE A 100 4.450 -11.094 15.175 1.00 61.33 H new ATOM 0 HG12 ILE A 100 4.346 -11.945 12.787 1.00 40.24 H new ATOM 0 HG13 ILE A 100 5.941 -11.803 13.498 1.00 40.24 H new ATOM 0 HG21 ILE A 100 6.172 -12.634 16.014 1.00 31.13 H new ATOM 0 HG22 ILE A 100 4.690 -12.687 16.997 1.00 31.13 H new ATOM 0 HG23 ILE A 100 5.036 -13.993 15.839 1.00 31.13 H new ATOM 0 HD11 ILE A 100 5.708 -13.951 12.291 1.00 1.41 H new ATOM 0 HD12 ILE A 100 5.936 -14.237 14.033 1.00 1.41 H new ATOM 0 HD13 ILE A 100 4.315 -14.382 13.312 1.00 1.41 H new ATOM 1496 N ASP A 101 2.684 -14.415 16.409 1.00 11.42 N ATOM 1497 CA ASP A 101 2.460 -15.803 16.773 1.00 32.40 C ATOM 1498 C ASP A 101 1.064 -16.228 16.311 1.00 24.32 C ATOM 1499 O ASP A 101 0.846 -17.390 15.972 1.00 31.33 O ATOM 1500 CB ASP A 101 2.535 -15.994 18.289 1.00 34.51 C ATOM 1501 CG ASP A 101 2.027 -14.811 19.116 1.00 61.31 C ATOM 1502 OD1 ASP A 101 2.818 -14.034 19.670 1.00 10.43 O ATOM 1503 OD2 ASP A 101 0.743 -14.702 19.180 1.00 4.22 O ATOM 0 H ASP A 101 2.878 -13.794 17.195 1.00 11.42 H new ATOM 0 HA ASP A 101 3.232 -16.406 16.295 1.00 32.40 H new ATOM 0 HB2 ASP A 101 1.959 -16.880 18.557 1.00 34.51 H new ATOM 0 HB3 ASP A 101 3.571 -16.192 18.564 1.00 34.51 H new ATOM 1509 N GLU A 102 0.156 -15.264 16.313 1.00 42.42 N ATOM 1510 CA GLU A 102 -1.212 -15.523 15.898 1.00 30.22 C ATOM 1511 C GLU A 102 -1.350 -15.350 14.384 1.00 22.22 C ATOM 1512 O GLU A 102 -1.936 -16.196 13.710 1.00 1.31 O ATOM 1513 CB GLU A 102 -2.193 -14.617 16.645 1.00 4.11 C ATOM 1514 CG GLU A 102 -2.653 -15.266 17.952 1.00 71.34 C ATOM 1515 CD GLU A 102 -2.869 -14.214 19.041 1.00 42.42 C ATOM 1516 OE1 GLU A 102 -4.038 -14.054 19.452 1.00 14.00 O ATOM 1517 OE2 GLU A 102 -1.859 -13.593 19.438 1.00 52.53 O ATOM 0 H GLU A 102 0.341 -14.302 16.596 1.00 42.42 H new ATOM 0 HA GLU A 102 -1.458 -16.555 16.150 1.00 30.22 H new ATOM 0 HB2 GLU A 102 -1.719 -13.659 16.858 1.00 4.11 H new ATOM 0 HB3 GLU A 102 -3.057 -14.412 16.013 1.00 4.11 H new ATOM 0 HG2 GLU A 102 -3.579 -15.815 17.783 1.00 71.34 H new ATOM 0 HG3 GLU A 102 -1.909 -15.990 18.284 1.00 71.34 H new ATOM 1524 N PHE A 103 -0.800 -14.249 13.894 1.00 1.11 N ATOM 1525 CA PHE A 103 -0.854 -13.954 12.472 1.00 31.23 C ATOM 1526 C PHE A 103 -0.187 -15.064 11.657 1.00 51.44 C ATOM 1527 O PHE A 103 -0.583 -15.329 10.523 1.00 50.24 O ATOM 1528 CB PHE A 103 -0.088 -12.648 12.257 1.00 45.22 C ATOM 1529 CG PHE A 103 0.278 -12.375 10.796 1.00 3.45 C ATOM 1530 CD1 PHE A 103 -0.678 -11.961 9.922 1.00 63.21 C ATOM 1531 CD2 PHE A 103 1.559 -12.545 10.373 1.00 63.20 C ATOM 1532 CE1 PHE A 103 -0.338 -11.708 8.567 1.00 53.34 C ATOM 1533 CE2 PHE A 103 1.899 -12.292 9.018 1.00 52.24 C ATOM 1534 CZ PHE A 103 0.943 -11.878 8.143 1.00 32.40 C ATOM 0 H PHE A 103 -0.315 -13.550 14.456 1.00 1.11 H new ATOM 0 HA PHE A 103 -1.891 -13.875 12.147 1.00 31.23 H new ATOM 0 HB2 PHE A 103 -0.690 -11.820 12.631 1.00 45.22 H new ATOM 0 HB3 PHE A 103 0.825 -12.672 12.851 1.00 45.22 H new ATOM 0 HD1 PHE A 103 -1.695 -11.825 10.258 1.00 63.21 H new ATOM 0 HD2 PHE A 103 2.318 -12.873 11.068 1.00 63.20 H new ATOM 0 HE1 PHE A 103 -1.097 -11.380 7.872 1.00 53.34 H new ATOM 0 HE2 PHE A 103 2.916 -12.428 8.682 1.00 52.24 H new ATOM 0 HZ PHE A 103 1.201 -11.684 7.112 1.00 32.40 H new ATOM 1544 N ALA A 104 0.814 -15.682 12.266 1.00 50.23 N ATOM 1545 CA ALA A 104 1.540 -16.756 11.610 1.00 33.50 C ATOM 1546 C ALA A 104 0.816 -18.081 11.860 1.00 63.21 C ATOM 1547 O ALA A 104 1.210 -19.118 11.328 1.00 44.10 O ATOM 1548 CB ALA A 104 2.985 -16.777 12.112 1.00 32.53 C ATOM 0 H ALA A 104 1.139 -15.460 13.207 1.00 50.23 H new ATOM 0 HA ALA A 104 1.572 -16.596 10.532 1.00 33.50 H new ATOM 0 HB1 ALA A 104 3.530 -17.583 11.620 1.00 32.53 H new ATOM 0 HB2 ALA A 104 3.463 -15.824 11.885 1.00 32.53 H new ATOM 0 HB3 ALA A 104 2.993 -16.939 13.190 1.00 32.53 H new ATOM 1554 N ALA A 105 -0.230 -18.004 12.670 1.00 64.03 N ATOM 1555 CA ALA A 105 -1.012 -19.184 12.997 1.00 63.24 C ATOM 1556 C ALA A 105 -2.062 -19.413 11.907 1.00 5.23 C ATOM 1557 O ALA A 105 -2.135 -20.496 11.328 1.00 0.45 O ATOM 1558 CB ALA A 105 -1.637 -19.015 14.383 1.00 50.54 C ATOM 0 H ALA A 105 -0.554 -17.142 13.109 1.00 64.03 H new ATOM 0 HA ALA A 105 -0.376 -20.068 13.033 1.00 63.24 H new ATOM 0 HB1 ALA A 105 -2.224 -19.900 14.628 1.00 50.54 H new ATOM 0 HB2 ALA A 105 -0.849 -18.886 15.124 1.00 50.54 H new ATOM 0 HB3 ALA A 105 -2.285 -18.138 14.386 1.00 50.54 H new ATOM 1564 N MET A 106 -2.848 -18.375 11.661 1.00 62.31 N ATOM 1565 CA MET A 106 -3.890 -18.449 10.651 1.00 32.33 C ATOM 1566 C MET A 106 -3.327 -18.940 9.316 1.00 4.21 C ATOM 1567 O MET A 106 -4.069 -19.436 8.470 1.00 44.13 O ATOM 1568 CB MET A 106 -4.518 -17.067 10.464 1.00 54.14 C ATOM 1569 CG MET A 106 -3.450 -16.017 10.151 1.00 30.21 C ATOM 1570 SD MET A 106 -4.007 -14.405 10.676 1.00 4.44 S ATOM 1571 CE MET A 106 -5.682 -14.440 10.063 1.00 54.13 C ATOM 0 H MET A 106 -2.784 -17.479 12.143 1.00 62.31 H new ATOM 0 HA MET A 106 -4.646 -19.159 10.987 1.00 32.33 H new ATOM 0 HB2 MET A 106 -5.247 -17.102 9.655 1.00 54.14 H new ATOM 0 HB3 MET A 106 -5.058 -16.784 11.368 1.00 54.14 H new ATOM 0 HG2 MET A 106 -2.519 -16.272 10.657 1.00 30.21 H new ATOM 0 HG3 MET A 106 -3.240 -16.008 9.082 1.00 30.21 H new ATOM 0 HE1 MET A 106 -6.115 -13.442 10.130 1.00 54.13 H new ATOM 0 HE2 MET A 106 -5.682 -14.766 9.023 1.00 54.13 H new ATOM 0 HE3 MET A 106 -6.274 -15.133 10.661 1.00 54.13 H new ATOM 1581 N ILE A 107 -2.019 -18.784 9.169 1.00 11.12 N ATOM 1582 CA ILE A 107 -1.347 -19.205 7.951 1.00 14.33 C ATOM 1583 C ILE A 107 -0.737 -20.591 8.164 1.00 60.52 C ATOM 1584 O ILE A 107 -0.831 -21.455 7.293 1.00 43.01 O ATOM 1585 CB ILE A 107 -0.334 -18.148 7.506 1.00 72.41 C ATOM 1586 CG1 ILE A 107 0.546 -17.705 8.676 1.00 14.55 C ATOM 1587 CG2 ILE A 107 -1.035 -16.965 6.835 1.00 63.44 C ATOM 1588 CD1 ILE A 107 1.741 -16.886 8.184 1.00 30.24 C ATOM 0 H ILE A 107 -1.407 -18.372 9.873 1.00 11.12 H new ATOM 0 HA ILE A 107 -2.061 -19.293 7.132 1.00 14.33 H new ATOM 0 HB ILE A 107 0.323 -18.597 6.761 1.00 72.41 H new ATOM 0 HG12 ILE A 107 -0.043 -17.111 9.375 1.00 14.55 H new ATOM 0 HG13 ILE A 107 0.900 -18.580 9.221 1.00 14.55 H new ATOM 0 HG21 ILE A 107 -0.292 -16.228 6.528 1.00 63.44 H new ATOM 0 HG22 ILE A 107 -1.582 -17.315 5.960 1.00 63.44 H new ATOM 0 HG23 ILE A 107 -1.731 -16.508 7.538 1.00 63.44 H new ATOM 0 HD11 ILE A 107 2.350 -16.584 9.036 1.00 30.24 H new ATOM 0 HD12 ILE A 107 2.342 -17.491 7.505 1.00 30.24 H new ATOM 0 HD13 ILE A 107 1.384 -15.999 7.661 1.00 30.24 H new ATOM 1600 N LYS A 108 -0.125 -20.762 9.327 1.00 52.34 N ATOM 1601 CA LYS A 108 0.501 -22.029 9.665 1.00 55.24 C ATOM 1602 C LYS A 108 -0.580 -23.101 9.821 1.00 50.34 C ATOM 1603 O LYS A 108 -0.282 -24.294 9.812 1.00 44.11 O ATOM 1604 CB LYS A 108 1.395 -21.873 10.896 1.00 33.13 C ATOM 1605 CG LYS A 108 1.932 -23.229 11.359 1.00 34.11 C ATOM 1606 CD LYS A 108 3.353 -23.097 11.909 1.00 64.33 C ATOM 1607 CE LYS A 108 4.077 -24.445 11.886 1.00 30.21 C ATOM 1608 NZ LYS A 108 4.645 -24.706 10.545 1.00 44.23 N ATOM 0 H LYS A 108 -0.049 -20.044 10.047 1.00 52.34 H new ATOM 0 HA LYS A 108 1.160 -22.355 8.861 1.00 55.24 H new ATOM 0 HB2 LYS A 108 2.227 -21.208 10.664 1.00 33.13 H new ATOM 0 HB3 LYS A 108 0.830 -21.407 11.703 1.00 33.13 H new ATOM 0 HG2 LYS A 108 1.277 -23.640 12.128 1.00 34.11 H new ATOM 0 HG3 LYS A 108 1.925 -23.931 10.525 1.00 34.11 H new ATOM 0 HD2 LYS A 108 3.910 -22.371 11.317 1.00 64.33 H new ATOM 0 HD3 LYS A 108 3.318 -22.716 12.930 1.00 64.33 H new ATOM 0 HE2 LYS A 108 4.872 -24.450 12.631 1.00 30.21 H new ATOM 0 HE3 LYS A 108 3.383 -25.242 12.155 1.00 30.21 H new ATOM 0 HZ1 LYS A 108 5.133 -25.625 10.547 1.00 44.23 H new ATOM 0 HZ2 LYS A 108 3.880 -24.722 9.841 1.00 44.23 H new ATOM 0 HZ3 LYS A 108 5.323 -23.955 10.303 1.00 44.23 H new ATOM 1621 N GLY A 109 -1.813 -22.637 9.960 1.00 51.52 N ATOM 1622 CA GLY A 109 -2.940 -23.541 10.118 1.00 43.44 C ATOM 1623 C GLY A 109 -3.317 -24.185 8.782 1.00 52.40 C ATOM 1624 O GLY A 109 -2.903 -23.715 7.723 1.00 12.33 O ATOM 0 H GLY A 109 -2.057 -21.647 9.967 1.00 51.52 H new ATOM 0 HA2 GLY A 109 -2.690 -24.316 10.842 1.00 43.44 H new ATOM 0 HA3 GLY A 109 -3.795 -22.996 10.517 1.00 43.44 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 0.188 -1.975 13.324 1.00 62.20 CA HETATM 1630 CA CA A 202 -3.414 -11.584 20.724 1.00 54.01 CA