USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 817 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 44 SER OG : rot 140:sc= -0.0202 USER MOD Set 1.2: A 90 THR OG1 : rot 58:sc= 0.565 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -147:sc= -4.57! (180deg=-3.55!) USER MOD Set 2.2: A 61 GLN : amide:sc= -2.58 K(o=-7.1,f=-9.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 45:sc= 0.664 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -5.73 K(o=-5.7,f=-8.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 129:sc= -1.19 (180deg=-2.77!) USER MOD Single : A 48 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-5.7!) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 THR OG1 : rot 14:sc= 0.199! USER MOD Single : A 51 ASN : amide:sc= -1.85! C(o=-1.9!,f=-3.8!) USER MOD Single : A 52 ASN : amide:sc= -2.81! C(o=-2.8!,f=-9.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -17:sc= 0.562 USER MOD Single : A 76 HIS :FLIP no HD1:sc= 0.125 F(o=-1.7!,f=0.13) USER MOD Single : A 77 MET CE :methyl -171:sc= -1.03 (180deg=-1.26) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 35:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.309 11.843 -18.616 1.00 0.00 N ATOM 2 CA GLY A 1 9.983 12.072 -17.352 1.00 0.00 C ATOM 3 C GLY A 1 9.648 13.423 -16.752 1.00 0.00 C ATOM 4 O GLY A 1 10.541 14.178 -16.368 1.00 0.00 O ATOM 0 H1 GLY A 1 9.571 10.906 -18.984 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.280 11.883 -18.473 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.592 12.575 -19.298 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.706 11.287 -16.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.061 12.001 -17.500 1.00 0.00 H new ATOM 8 N SER A 2 8.357 13.730 -16.673 1.00 0.00 N ATOM 9 CA SER A 2 7.907 15.002 -16.121 1.00 0.00 C ATOM 10 C SER A 2 6.472 14.896 -15.612 1.00 0.00 C ATOM 11 O SER A 2 5.597 14.364 -16.295 1.00 0.00 O ATOM 12 CB SER A 2 8.005 16.104 -17.178 1.00 0.00 C ATOM 13 OG SER A 2 7.334 17.278 -16.754 1.00 0.00 O ATOM 0 H SER A 2 7.605 13.115 -16.984 1.00 0.00 H new ATOM 0 HA SER A 2 8.554 15.255 -15.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.053 16.331 -17.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.573 15.753 -18.115 1.00 0.00 H new ATOM 0 HG SER A 2 7.413 17.968 -17.446 1.00 0.00 H new ATOM 19 N SER A 3 6.240 15.407 -14.407 1.00 0.00 N ATOM 20 CA SER A 3 4.913 15.367 -13.803 1.00 0.00 C ATOM 21 C SER A 3 4.128 16.634 -14.131 1.00 0.00 C ATOM 22 O SER A 3 4.694 17.629 -14.580 1.00 0.00 O ATOM 23 CB SER A 3 5.025 15.201 -12.286 1.00 0.00 C ATOM 24 OG SER A 3 5.320 16.437 -11.658 1.00 0.00 O ATOM 0 H SER A 3 6.953 15.853 -13.830 1.00 0.00 H new ATOM 0 HA SER A 3 4.378 14.512 -14.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.091 14.803 -11.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.805 14.476 -12.053 1.00 0.00 H new ATOM 0 HG SER A 3 5.385 16.304 -10.689 1.00 0.00 H new ATOM 30 N GLY A 4 2.819 16.588 -13.903 1.00 0.00 N ATOM 31 CA GLY A 4 1.977 17.736 -14.179 1.00 0.00 C ATOM 32 C GLY A 4 0.529 17.351 -14.412 1.00 0.00 C ATOM 33 O GLY A 4 -0.213 17.100 -13.463 1.00 0.00 O ATOM 0 H GLY A 4 2.327 15.775 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.034 18.434 -13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.357 18.258 -15.057 1.00 0.00 H new ATOM 37 N SER A 5 0.127 17.307 -15.678 1.00 0.00 N ATOM 38 CA SER A 5 -1.243 16.955 -16.032 1.00 0.00 C ATOM 39 C SER A 5 -1.655 15.642 -15.374 1.00 0.00 C ATOM 40 O SER A 5 -2.694 15.563 -14.718 1.00 0.00 O ATOM 41 CB SER A 5 -1.387 16.844 -17.551 1.00 0.00 C ATOM 42 OG SER A 5 -1.065 18.069 -18.186 1.00 0.00 O ATOM 0 H SER A 5 0.730 17.511 -16.475 1.00 0.00 H new ATOM 0 HA SER A 5 -1.900 17.745 -15.668 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.734 16.055 -17.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.408 16.558 -17.802 1.00 0.00 H new ATOM 0 HG SER A 5 -1.163 17.970 -19.156 1.00 0.00 H new ATOM 48 N SER A 6 -0.832 14.614 -15.553 1.00 0.00 N ATOM 49 CA SER A 6 -1.111 13.302 -14.980 1.00 0.00 C ATOM 50 C SER A 6 -1.150 13.373 -13.456 1.00 0.00 C ATOM 51 O SER A 6 -0.138 13.167 -12.788 1.00 0.00 O ATOM 52 CB SER A 6 -0.054 12.291 -15.428 1.00 0.00 C ATOM 53 OG SER A 6 1.248 12.721 -15.069 1.00 0.00 O ATOM 0 H SER A 6 0.034 14.664 -16.090 1.00 0.00 H new ATOM 0 HA SER A 6 -2.088 12.977 -15.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.258 11.321 -14.974 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.111 12.155 -16.508 1.00 0.00 H new ATOM 0 HG SER A 6 1.241 13.052 -14.146 1.00 0.00 H new ATOM 59 N GLY A 7 -2.329 13.665 -12.913 1.00 0.00 N ATOM 60 CA GLY A 7 -2.479 13.758 -11.473 1.00 0.00 C ATOM 61 C GLY A 7 -1.956 12.530 -10.755 1.00 0.00 C ATOM 62 O GLY A 7 -2.407 11.413 -11.012 1.00 0.00 O ATOM 0 H GLY A 7 -3.182 13.839 -13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.949 14.639 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.532 13.897 -11.229 1.00 0.00 H new ATOM 66 N ASP A 8 -1.002 12.735 -9.854 1.00 0.00 N ATOM 67 CA ASP A 8 -0.417 11.634 -9.097 1.00 0.00 C ATOM 68 C ASP A 8 -1.393 11.118 -8.044 1.00 0.00 C ATOM 69 O ASP A 8 -2.390 11.771 -7.734 1.00 0.00 O ATOM 70 CB ASP A 8 0.883 12.083 -8.428 1.00 0.00 C ATOM 71 CG ASP A 8 1.666 13.062 -9.281 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.213 12.637 -10.320 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.732 14.252 -8.909 1.00 0.00 O ATOM 0 H ASP A 8 -0.617 13.653 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.199 10.823 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.653 12.545 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.502 11.210 -8.221 1.00 0.00 H new ATOM 78 N VAL A 9 -1.101 9.942 -7.500 1.00 0.00 N ATOM 79 CA VAL A 9 -1.953 9.338 -6.482 1.00 0.00 C ATOM 80 C VAL A 9 -1.316 9.439 -5.101 1.00 0.00 C ATOM 81 O VAL A 9 -0.399 8.686 -4.772 1.00 0.00 O ATOM 82 CB VAL A 9 -2.239 7.857 -6.796 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.089 7.233 -5.700 1.00 0.00 C ATOM 84 CG2 VAL A 9 -2.918 7.722 -8.151 1.00 0.00 C ATOM 0 H VAL A 9 -0.281 9.388 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.892 9.891 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.290 7.322 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.281 6.187 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.560 7.297 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.036 7.767 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.113 6.670 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.860 8.270 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.268 8.129 -8.926 1.00 0.00 H new ATOM 94 N ARG A 10 -1.808 10.374 -4.295 1.00 0.00 N ATOM 95 CA ARG A 10 -1.287 10.575 -2.949 1.00 0.00 C ATOM 96 C ARG A 10 -1.516 9.337 -2.087 1.00 0.00 C ATOM 97 O ARG A 10 -2.632 9.081 -1.634 1.00 0.00 O ATOM 98 CB ARG A 10 -1.948 11.792 -2.299 1.00 0.00 C ATOM 99 CG ARG A 10 -1.099 12.441 -1.218 1.00 0.00 C ATOM 100 CD ARG A 10 -1.941 13.306 -0.293 1.00 0.00 C ATOM 101 NE ARG A 10 -1.266 13.570 0.975 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.714 14.433 1.880 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.832 15.110 1.659 1.00 0.00 N ATOM 104 NH2 ARG A 10 -1.043 14.618 3.010 1.00 0.00 N ATOM 0 H ARG A 10 -2.568 11.005 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.214 10.751 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.167 12.531 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.902 11.489 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.595 11.669 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.322 13.050 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.167 14.251 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.893 12.811 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.404 13.064 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.351 14.969 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.174 15.772 2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.183 14.097 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.387 15.281 3.705 1.00 0.00 H new ATOM 118 N VAL A 11 -0.452 8.572 -1.864 1.00 0.00 N ATOM 119 CA VAL A 11 -0.537 7.361 -1.056 1.00 0.00 C ATOM 120 C VAL A 11 0.198 7.532 0.269 1.00 0.00 C ATOM 121 O VAL A 11 1.345 7.978 0.302 1.00 0.00 O ATOM 122 CB VAL A 11 0.047 6.147 -1.802 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.134 4.943 -0.876 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.788 5.825 -3.032 1.00 0.00 C ATOM 0 H VAL A 11 0.479 8.769 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.595 7.184 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 11 1.056 6.396 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.549 4.095 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.778 5.181 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.862 4.690 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.361 4.965 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.809 5.596 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.793 6.684 -3.703 1.00 0.00 H new ATOM 134 N LYS A 12 -0.470 7.174 1.360 1.00 0.00 N ATOM 135 CA LYS A 12 0.118 7.285 2.689 1.00 0.00 C ATOM 136 C LYS A 12 0.657 5.938 3.160 1.00 0.00 C ATOM 137 O LYS A 12 -0.071 4.945 3.194 1.00 0.00 O ATOM 138 CB LYS A 12 -0.918 7.809 3.686 1.00 0.00 C ATOM 139 CG LYS A 12 -0.306 8.507 4.888 1.00 0.00 C ATOM 140 CD LYS A 12 -1.160 8.327 6.132 1.00 0.00 C ATOM 141 CE LYS A 12 -2.359 9.263 6.125 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.404 8.833 7.095 1.00 0.00 N ATOM 0 H LYS A 12 -1.420 6.804 1.350 1.00 0.00 H new ATOM 0 HA LYS A 12 0.948 7.989 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.584 8.503 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.530 6.976 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.693 8.110 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.193 9.570 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.504 7.294 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.556 8.514 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.032 10.274 6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.786 9.298 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.204 9.496 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.735 7.878 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.004 8.824 8.055 1.00 0.00 H new ATOM 156 N PHE A 13 1.934 5.911 3.524 1.00 0.00 N ATOM 157 CA PHE A 13 2.570 4.686 3.994 1.00 0.00 C ATOM 158 C PHE A 13 2.786 4.729 5.504 1.00 0.00 C ATOM 159 O PHE A 13 3.697 5.397 5.992 1.00 0.00 O ATOM 160 CB PHE A 13 3.908 4.474 3.282 1.00 0.00 C ATOM 161 CG PHE A 13 3.764 3.984 1.870 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.892 2.951 1.566 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.501 4.557 0.846 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.758 2.498 0.267 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.371 4.108 -0.455 1.00 0.00 C ATOM 166 CZ PHE A 13 3.498 3.078 -0.745 1.00 0.00 C ATOM 0 H PHE A 13 2.550 6.724 3.503 1.00 0.00 H new ATOM 0 HA PHE A 13 1.907 3.852 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.461 5.413 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.502 3.757 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.310 2.494 2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.185 5.363 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.075 1.691 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.952 4.562 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.394 2.727 -1.761 1.00 0.00 H new ATOM 176 N GLU A 14 1.939 4.013 6.238 1.00 0.00 N ATOM 177 CA GLU A 14 2.037 3.972 7.692 1.00 0.00 C ATOM 178 C GLU A 14 2.690 2.673 8.157 1.00 0.00 C ATOM 179 O GLU A 14 2.318 1.585 7.715 1.00 0.00 O ATOM 180 CB GLU A 14 0.650 4.112 8.323 1.00 0.00 C ATOM 181 CG GLU A 14 0.247 5.552 8.593 1.00 0.00 C ATOM 182 CD GLU A 14 -1.247 5.711 8.802 1.00 0.00 C ATOM 183 OE1 GLU A 14 -1.989 5.707 7.797 1.00 0.00 O ATOM 184 OE2 GLU A 14 -1.673 5.839 9.968 1.00 0.00 O ATOM 0 H GLU A 14 1.179 3.455 5.850 1.00 0.00 H new ATOM 0 HA GLU A 14 2.660 4.807 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.088 3.655 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.629 3.556 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.774 5.913 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.561 6.176 7.757 1.00 0.00 H new ATOM 191 N HIS A 15 3.666 2.795 9.051 1.00 0.00 N ATOM 192 CA HIS A 15 4.371 1.631 9.576 1.00 0.00 C ATOM 193 C HIS A 15 4.805 1.865 11.020 1.00 0.00 C ATOM 194 O HIS A 15 5.668 2.699 11.292 1.00 0.00 O ATOM 195 CB HIS A 15 5.590 1.314 8.710 1.00 0.00 C ATOM 196 CG HIS A 15 6.214 -0.013 9.016 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.492 -0.436 10.299 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.611 -1.015 8.197 1.00 0.00 C ATOM 199 CE1 HIS A 15 7.036 -1.639 10.256 1.00 0.00 C ATOM 200 NE2 HIS A 15 7.118 -2.013 8.992 1.00 0.00 N ATOM 0 H HIS A 15 3.987 3.687 9.427 1.00 0.00 H new ATOM 0 HA HIS A 15 3.688 0.782 9.553 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.295 1.334 7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.336 2.097 8.847 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.306 0.097 11.149 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.542 -1.027 7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.359 -2.218 11.109 1.00 0.00 H new ATOM 209 N ARG A 16 4.200 1.123 11.942 1.00 0.00 N ATOM 210 CA ARG A 16 4.522 1.251 13.358 1.00 0.00 C ATOM 211 C ARG A 16 4.390 2.701 13.817 1.00 0.00 C ATOM 212 O ARG A 16 5.307 3.258 14.417 1.00 0.00 O ATOM 213 CB ARG A 16 5.941 0.747 13.628 1.00 0.00 C ATOM 214 CG ARG A 16 6.093 -0.757 13.473 1.00 0.00 C ATOM 215 CD ARG A 16 7.551 -1.181 13.553 1.00 0.00 C ATOM 216 NE ARG A 16 8.434 -0.234 12.879 1.00 0.00 N ATOM 217 CZ ARG A 16 8.925 0.856 13.460 1.00 0.00 C ATOM 218 NH1 ARG A 16 8.620 1.133 14.720 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.723 1.670 12.781 1.00 0.00 N ATOM 0 H ARG A 16 3.484 0.427 11.734 1.00 0.00 H new ATOM 0 HA ARG A 16 3.814 0.643 13.922 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.630 1.245 12.946 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.232 1.031 14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.522 -1.264 14.251 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.674 -1.069 12.516 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.846 -1.270 14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.667 -2.167 13.104 1.00 0.00 H new ATOM 0 HE ARG A 16 8.688 -0.419 11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.008 0.509 15.245 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.998 1.970 15.164 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.961 1.460 11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.099 2.506 13.228 1.00 0.00 H new ATOM 233 N GLY A 17 3.241 3.305 13.529 1.00 0.00 N ATOM 234 CA GLY A 17 3.010 4.683 13.918 1.00 0.00 C ATOM 235 C GLY A 17 3.541 5.671 12.898 1.00 0.00 C ATOM 236 O GLY A 17 2.909 6.691 12.626 1.00 0.00 O ATOM 0 H GLY A 17 2.466 2.864 13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.941 4.845 14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.485 4.870 14.881 1.00 0.00 H new ATOM 240 N GLU A 18 4.706 5.368 12.335 1.00 0.00 N ATOM 241 CA GLU A 18 5.323 6.239 11.341 1.00 0.00 C ATOM 242 C GLU A 18 4.438 6.365 10.104 1.00 0.00 C ATOM 243 O GLU A 18 3.571 5.526 9.858 1.00 0.00 O ATOM 244 CB GLU A 18 6.699 5.702 10.944 1.00 0.00 C ATOM 245 CG GLU A 18 7.605 5.413 12.129 1.00 0.00 C ATOM 246 CD GLU A 18 7.489 6.459 13.221 1.00 0.00 C ATOM 247 OE1 GLU A 18 8.023 7.572 13.033 1.00 0.00 O ATOM 248 OE2 GLU A 18 6.867 6.164 14.262 1.00 0.00 O ATOM 0 H GLU A 18 5.241 4.527 12.550 1.00 0.00 H new ATOM 0 HA GLU A 18 5.441 7.228 11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.570 4.788 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.188 6.426 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.358 4.435 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.639 5.363 11.787 1.00 0.00 H new ATOM 255 N LYS A 19 4.661 7.421 9.329 1.00 0.00 N ATOM 256 CA LYS A 19 3.886 7.659 8.117 1.00 0.00 C ATOM 257 C LYS A 19 4.741 8.332 7.048 1.00 0.00 C ATOM 258 O LYS A 19 5.638 9.116 7.360 1.00 0.00 O ATOM 259 CB LYS A 19 2.666 8.527 8.430 1.00 0.00 C ATOM 260 CG LYS A 19 2.976 9.712 9.329 1.00 0.00 C ATOM 261 CD LYS A 19 3.363 10.939 8.520 1.00 0.00 C ATOM 262 CE LYS A 19 3.819 12.078 9.419 1.00 0.00 C ATOM 263 NZ LYS A 19 5.212 11.878 9.904 1.00 0.00 N ATOM 0 H LYS A 19 5.373 8.126 9.519 1.00 0.00 H new ATOM 0 HA LYS A 19 3.550 6.695 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.241 8.892 7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.904 7.910 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.106 9.940 9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.788 9.452 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.162 10.681 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.512 11.265 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.756 13.019 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.146 12.159 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.485 12.675 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.267 10.993 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.859 11.826 9.091 1.00 0.00 H new ATOM 277 N ARG A 20 4.457 8.022 5.788 1.00 0.00 N ATOM 278 CA ARG A 20 5.200 8.597 4.673 1.00 0.00 C ATOM 279 C ARG A 20 4.316 8.717 3.435 1.00 0.00 C ATOM 280 O ARG A 20 3.854 7.714 2.891 1.00 0.00 O ATOM 281 CB ARG A 20 6.428 7.742 4.355 1.00 0.00 C ATOM 282 CG ARG A 20 7.677 8.165 5.112 1.00 0.00 C ATOM 283 CD ARG A 20 8.282 9.430 4.524 1.00 0.00 C ATOM 284 NE ARG A 20 9.168 10.104 5.470 1.00 0.00 N ATOM 285 CZ ARG A 20 8.742 10.952 6.400 1.00 0.00 C ATOM 286 NH1 ARG A 20 7.450 11.228 6.508 1.00 0.00 N ATOM 287 NH2 ARG A 20 9.609 11.525 7.225 1.00 0.00 N ATOM 0 H ARG A 20 3.717 7.376 5.513 1.00 0.00 H new ATOM 0 HA ARG A 20 5.527 9.595 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.206 6.701 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.628 7.792 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.430 8.332 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.412 7.361 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.839 9.180 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.483 10.110 4.228 1.00 0.00 H new ATOM 0 HE ARG A 20 10.168 9.913 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.780 10.789 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.126 11.879 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.604 11.315 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.281 12.176 7.938 1.00 0.00 H new ATOM 301 N ILE A 21 4.086 9.950 2.996 1.00 0.00 N ATOM 302 CA ILE A 21 3.258 10.200 1.822 1.00 0.00 C ATOM 303 C ILE A 21 4.095 10.189 0.547 1.00 0.00 C ATOM 304 O ILE A 21 5.181 10.768 0.499 1.00 0.00 O ATOM 305 CB ILE A 21 2.524 11.550 1.929 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.284 11.411 2.814 1.00 0.00 C ATOM 307 CG2 ILE A 21 2.141 12.054 0.546 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.130 10.709 2.133 1.00 0.00 C ATOM 0 H ILE A 21 4.461 10.791 3.435 1.00 0.00 H new ATOM 0 HA ILE A 21 2.522 9.397 1.778 1.00 0.00 H new ATOM 0 HB ILE A 21 3.194 12.277 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.552 10.861 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.960 12.403 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.623 13.009 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.041 12.185 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.485 11.330 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.714 10.646 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.165 11.270 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.436 9.704 1.842 1.00 0.00 H new ATOM 320 N LEU A 22 3.582 9.527 -0.484 1.00 0.00 N ATOM 321 CA LEU A 22 4.281 9.441 -1.762 1.00 0.00 C ATOM 322 C LEU A 22 3.396 9.937 -2.901 1.00 0.00 C ATOM 323 O LEU A 22 2.265 10.368 -2.678 1.00 0.00 O ATOM 324 CB LEU A 22 4.718 8.000 -2.031 1.00 0.00 C ATOM 325 CG LEU A 22 5.913 7.499 -1.220 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.189 8.200 -1.661 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.675 7.709 0.268 1.00 0.00 C ATOM 0 H LEU A 22 2.685 9.042 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 22 5.164 10.078 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.871 7.342 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.958 7.906 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 22 6.028 6.430 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.029 7.831 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.369 7.998 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.085 9.274 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.536 7.346 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.533 8.771 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.785 7.160 0.575 1.00 0.00 H new ATOM 339 N GLN A 23 3.918 9.871 -4.121 1.00 0.00 N ATOM 340 CA GLN A 23 3.174 10.312 -5.295 1.00 0.00 C ATOM 341 C GLN A 23 3.379 9.352 -6.462 1.00 0.00 C ATOM 342 O GLN A 23 4.504 9.136 -6.911 1.00 0.00 O ATOM 343 CB GLN A 23 3.606 11.723 -5.698 1.00 0.00 C ATOM 344 CG GLN A 23 3.166 12.798 -4.718 1.00 0.00 C ATOM 345 CD GLN A 23 3.440 14.199 -5.226 1.00 0.00 C ATOM 346 OE1 GLN A 23 4.248 14.932 -4.655 1.00 0.00 O ATOM 347 NE2 GLN A 23 2.767 14.580 -6.306 1.00 0.00 N ATOM 0 H GLN A 23 4.853 9.517 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 23 2.114 10.323 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.692 11.749 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.198 11.952 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.100 12.690 -4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.682 12.652 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.107 13.940 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.910 15.512 -6.694 1.00 0.00 H new ATOM 356 N PHE A 24 2.283 8.778 -6.948 1.00 0.00 N ATOM 357 CA PHE A 24 2.343 7.839 -8.062 1.00 0.00 C ATOM 358 C PHE A 24 1.492 8.327 -9.231 1.00 0.00 C ATOM 359 O PHE A 24 0.263 8.365 -9.165 1.00 0.00 O ATOM 360 CB PHE A 24 1.869 6.454 -7.616 1.00 0.00 C ATOM 361 CG PHE A 24 2.660 5.890 -6.470 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.378 6.265 -5.166 1.00 0.00 C ATOM 363 CD2 PHE A 24 3.684 4.985 -6.697 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.105 5.749 -4.110 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.414 4.465 -5.645 1.00 0.00 C ATOM 366 CZ PHE A 24 4.123 4.847 -4.349 1.00 0.00 C ATOM 0 H PHE A 24 1.344 8.947 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 24 3.380 7.772 -8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.819 6.513 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.930 5.768 -8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.581 6.968 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.915 4.682 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.877 6.051 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.211 3.761 -5.835 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.691 4.441 -3.525 1.00 0.00 H new ATOM 376 N PRO A 25 2.161 8.712 -10.329 1.00 0.00 N ATOM 377 CA PRO A 25 1.487 9.205 -11.534 1.00 0.00 C ATOM 378 C PRO A 25 0.725 8.104 -12.264 1.00 0.00 C ATOM 379 O PRO A 25 1.326 7.181 -12.814 1.00 0.00 O ATOM 380 CB PRO A 25 2.640 9.722 -12.398 1.00 0.00 C ATOM 381 CG PRO A 25 3.829 8.946 -11.946 1.00 0.00 C ATOM 382 CD PRO A 25 3.625 8.694 -10.478 1.00 0.00 C ATOM 0 HA PRO A 25 0.738 9.962 -11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.443 9.563 -13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.790 10.793 -12.259 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.915 8.008 -12.495 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.749 9.503 -12.122 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.048 7.737 -10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.100 9.463 -9.869 1.00 0.00 H new ATOM 390 N ARG A 26 -0.599 8.209 -12.266 1.00 0.00 N ATOM 391 CA ARG A 26 -1.443 7.221 -12.928 1.00 0.00 C ATOM 392 C ARG A 26 -1.032 7.047 -14.387 1.00 0.00 C ATOM 393 O ARG A 26 -0.577 7.982 -15.046 1.00 0.00 O ATOM 394 CB ARG A 26 -2.913 7.637 -12.847 1.00 0.00 C ATOM 395 CG ARG A 26 -3.539 7.399 -11.482 1.00 0.00 C ATOM 396 CD ARG A 26 -4.994 7.839 -11.453 1.00 0.00 C ATOM 397 NE ARG A 26 -5.493 7.989 -10.088 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.524 8.761 -9.763 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.162 9.449 -10.700 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.918 8.845 -8.499 1.00 0.00 N ATOM 0 H ARG A 26 -1.111 8.968 -11.817 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.314 6.268 -12.415 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.997 8.695 -13.096 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.480 7.087 -13.598 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.473 6.341 -11.229 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.978 7.944 -10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.097 8.786 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.604 7.109 -11.984 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.024 7.473 -9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.861 9.386 -11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.953 10.041 -10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.429 8.317 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.710 9.438 -8.250 1.00 0.00 H new ATOM 414 N PRO A 27 -1.196 5.821 -14.906 1.00 0.00 N ATOM 415 CA PRO A 27 -1.737 4.699 -14.132 1.00 0.00 C ATOM 416 C PRO A 27 -0.771 4.221 -13.053 1.00 0.00 C ATOM 417 O PRO A 27 0.404 3.973 -13.323 1.00 0.00 O ATOM 418 CB PRO A 27 -1.945 3.609 -15.186 1.00 0.00 C ATOM 419 CG PRO A 27 -0.972 3.935 -16.266 1.00 0.00 C ATOM 420 CD PRO A 27 -0.866 5.435 -16.288 1.00 0.00 C ATOM 0 HA PRO A 27 -2.647 4.973 -13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.760 2.618 -14.772 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.968 3.611 -15.561 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.002 3.478 -16.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.314 3.554 -17.228 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.135 5.763 -16.569 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.559 5.876 -17.005 1.00 0.00 H new ATOM 428 N VAL A 28 -1.274 4.093 -11.829 1.00 0.00 N ATOM 429 CA VAL A 28 -0.456 3.642 -10.710 1.00 0.00 C ATOM 430 C VAL A 28 -0.138 2.156 -10.825 1.00 0.00 C ATOM 431 O VAL A 28 -1.017 1.342 -11.109 1.00 0.00 O ATOM 432 CB VAL A 28 -1.155 3.904 -9.363 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.284 3.435 -8.208 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.497 5.380 -9.218 1.00 0.00 C ATOM 0 H VAL A 28 -2.244 4.295 -11.588 1.00 0.00 H new ATOM 0 HA VAL A 28 0.472 4.212 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.084 3.335 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.795 3.629 -7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.095 2.366 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.663 3.974 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.990 5.547 -8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.583 5.971 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.163 5.680 -10.027 1.00 0.00 H new ATOM 444 N LYS A 29 1.124 1.807 -10.600 1.00 0.00 N ATOM 445 CA LYS A 29 1.560 0.418 -10.676 1.00 0.00 C ATOM 446 C LYS A 29 1.802 -0.153 -9.283 1.00 0.00 C ATOM 447 O LYS A 29 2.355 0.520 -8.412 1.00 0.00 O ATOM 448 CB LYS A 29 2.836 0.307 -11.514 1.00 0.00 C ATOM 449 CG LYS A 29 2.699 0.889 -12.910 1.00 0.00 C ATOM 450 CD LYS A 29 2.302 -0.175 -13.921 1.00 0.00 C ATOM 451 CE LYS A 29 0.797 -0.390 -13.940 1.00 0.00 C ATOM 452 NZ LYS A 29 0.385 -1.506 -13.045 1.00 0.00 N ATOM 0 H LYS A 29 1.864 2.468 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 29 0.768 -0.160 -11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.647 0.817 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.119 -0.743 -11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.952 1.682 -12.903 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.643 1.343 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.641 0.120 -14.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.802 -1.113 -13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.295 0.527 -13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.473 -0.603 -14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.442 -1.989 -13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.169 -2.183 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.140 -1.127 -12.108 1.00 0.00 H new ATOM 466 N LEU A 30 1.387 -1.399 -9.079 1.00 0.00 N ATOM 467 CA LEU A 30 1.561 -2.061 -7.791 1.00 0.00 C ATOM 468 C LEU A 30 3.037 -2.140 -7.414 1.00 0.00 C ATOM 469 O LEU A 30 3.409 -1.880 -6.270 1.00 0.00 O ATOM 470 CB LEU A 30 0.958 -3.467 -7.833 1.00 0.00 C ATOM 471 CG LEU A 30 1.066 -4.282 -6.544 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.239 -3.645 -5.438 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.624 -5.718 -6.783 1.00 0.00 C ATOM 0 H LEU A 30 0.928 -1.970 -9.789 1.00 0.00 H new ATOM 0 HA LEU A 30 1.043 -1.472 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.096 -3.381 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.443 -4.025 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 30 2.110 -4.291 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.328 -4.239 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.602 -2.635 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.807 -3.604 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.707 -6.284 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.412 -5.728 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.259 -6.172 -7.543 1.00 0.00 H new ATOM 485 N GLU A 31 3.872 -2.499 -8.384 1.00 0.00 N ATOM 486 CA GLU A 31 5.308 -2.609 -8.152 1.00 0.00 C ATOM 487 C GLU A 31 5.889 -1.276 -7.690 1.00 0.00 C ATOM 488 O GLU A 31 6.773 -1.236 -6.834 1.00 0.00 O ATOM 489 CB GLU A 31 6.017 -3.074 -9.426 1.00 0.00 C ATOM 490 CG GLU A 31 6.311 -1.948 -10.404 1.00 0.00 C ATOM 491 CD GLU A 31 6.455 -2.439 -11.831 1.00 0.00 C ATOM 492 OE1 GLU A 31 5.477 -2.998 -12.369 1.00 0.00 O ATOM 493 OE2 GLU A 31 7.547 -2.262 -12.411 1.00 0.00 O ATOM 0 H GLU A 31 3.580 -2.718 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 31 5.468 -3.346 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.953 -3.561 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.400 -3.823 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.509 -1.211 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.228 -1.441 -10.104 1.00 0.00 H new ATOM 500 N ASP A 32 5.386 -0.188 -8.263 1.00 0.00 N ATOM 501 CA ASP A 32 5.854 1.147 -7.910 1.00 0.00 C ATOM 502 C ASP A 32 5.602 1.439 -6.434 1.00 0.00 C ATOM 503 O ASP A 32 6.500 1.881 -5.716 1.00 0.00 O ATOM 504 CB ASP A 32 5.160 2.199 -8.777 1.00 0.00 C ATOM 505 CG ASP A 32 5.862 2.411 -10.104 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.467 1.445 -10.616 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.805 3.541 -10.631 1.00 0.00 O ATOM 0 H ASP A 32 4.654 -0.204 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 32 6.928 1.189 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.130 1.893 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.121 3.144 -8.235 1.00 0.00 H new ATOM 512 N LEU A 33 4.376 1.190 -5.988 1.00 0.00 N ATOM 513 CA LEU A 33 4.005 1.427 -4.597 1.00 0.00 C ATOM 514 C LEU A 33 4.986 0.746 -3.648 1.00 0.00 C ATOM 515 O LEU A 33 5.446 1.348 -2.678 1.00 0.00 O ATOM 516 CB LEU A 33 2.587 0.919 -4.334 1.00 0.00 C ATOM 517 CG LEU A 33 1.450 1.807 -4.842 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.196 0.982 -5.086 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.168 2.930 -3.854 1.00 0.00 C ATOM 0 H LEU A 33 3.622 0.824 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 33 4.039 2.501 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.485 -0.065 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.464 0.785 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 33 1.757 2.251 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.602 1.631 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.405 0.215 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.115 0.508 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.356 3.552 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.882 2.505 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.064 3.539 -3.730 1.00 0.00 H new ATOM 531 N ARG A 34 5.304 -0.512 -3.937 1.00 0.00 N ATOM 532 CA ARG A 34 6.231 -1.274 -3.110 1.00 0.00 C ATOM 533 C ARG A 34 7.633 -0.675 -3.171 1.00 0.00 C ATOM 534 O ARG A 34 8.289 -0.498 -2.145 1.00 0.00 O ATOM 535 CB ARG A 34 6.269 -2.735 -3.562 1.00 0.00 C ATOM 536 CG ARG A 34 4.900 -3.395 -3.606 1.00 0.00 C ATOM 537 CD ARG A 34 5.001 -4.863 -3.991 1.00 0.00 C ATOM 538 NE ARG A 34 5.561 -5.674 -2.913 1.00 0.00 N ATOM 539 CZ ARG A 34 5.560 -7.002 -2.917 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.033 -7.665 -3.937 1.00 0.00 N ATOM 541 NH2 ARG A 34 6.088 -7.670 -1.900 1.00 0.00 N ATOM 0 H ARG A 34 4.933 -1.024 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 34 5.880 -1.229 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.721 -2.788 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.913 -3.299 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.420 -3.306 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.266 -2.873 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.011 -5.239 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.623 -4.963 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 34 5.975 -5.194 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.627 -7.155 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.034 -8.685 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.495 -7.164 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.087 -8.690 -1.904 1.00 0.00 H new ATOM 555 N SER A 35 8.087 -0.367 -4.382 1.00 0.00 N ATOM 556 CA SER A 35 9.412 0.208 -4.578 1.00 0.00 C ATOM 557 C SER A 35 9.608 1.437 -3.695 1.00 0.00 C ATOM 558 O SER A 35 10.583 1.531 -2.949 1.00 0.00 O ATOM 559 CB SER A 35 9.616 0.585 -6.047 1.00 0.00 C ATOM 560 OG SER A 35 10.981 0.485 -6.415 1.00 0.00 O ATOM 0 H SER A 35 7.556 -0.506 -5.242 1.00 0.00 H new ATOM 0 HA SER A 35 10.151 -0.542 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.017 -0.069 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.264 1.603 -6.217 1.00 0.00 H new ATOM 0 HG SER A 35 11.084 0.729 -7.358 1.00 0.00 H new ATOM 566 N LYS A 36 8.673 2.377 -3.784 1.00 0.00 N ATOM 567 CA LYS A 36 8.739 3.600 -2.993 1.00 0.00 C ATOM 568 C LYS A 36 8.804 3.281 -1.503 1.00 0.00 C ATOM 569 O LYS A 36 9.763 3.646 -0.822 1.00 0.00 O ATOM 570 CB LYS A 36 7.526 4.486 -3.283 1.00 0.00 C ATOM 571 CG LYS A 36 7.406 4.894 -4.741 1.00 0.00 C ATOM 572 CD LYS A 36 8.514 5.853 -5.145 1.00 0.00 C ATOM 573 CE LYS A 36 8.104 7.301 -4.926 1.00 0.00 C ATOM 574 NZ LYS A 36 7.403 7.865 -6.113 1.00 0.00 N ATOM 0 H LYS A 36 7.860 2.315 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 36 9.647 4.135 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.621 3.956 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.586 5.383 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.444 4.006 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.437 5.364 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.413 5.637 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.765 5.699 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.452 7.366 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.988 7.900 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.140 8.853 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.033 7.827 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.545 7.309 -6.306 1.00 0.00 H new ATOM 588 N ALA A 37 7.780 2.598 -1.003 1.00 0.00 N ATOM 589 CA ALA A 37 7.723 2.228 0.406 1.00 0.00 C ATOM 590 C ALA A 37 9.018 1.556 0.849 1.00 0.00 C ATOM 591 O ALA A 37 9.444 1.699 1.996 1.00 0.00 O ATOM 592 CB ALA A 37 6.536 1.312 0.663 1.00 0.00 C ATOM 0 H ALA A 37 6.978 2.289 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 37 7.598 3.139 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.506 1.044 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.614 1.827 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.637 0.408 0.062 1.00 0.00 H new ATOM 598 N LYS A 38 9.641 0.820 -0.066 1.00 0.00 N ATOM 599 CA LYS A 38 10.889 0.126 0.230 1.00 0.00 C ATOM 600 C LYS A 38 12.058 1.104 0.280 1.00 0.00 C ATOM 601 O LYS A 38 12.977 0.947 1.084 1.00 0.00 O ATOM 602 CB LYS A 38 11.157 -0.953 -0.821 1.00 0.00 C ATOM 603 CG LYS A 38 12.403 -1.776 -0.544 1.00 0.00 C ATOM 604 CD LYS A 38 12.515 -2.957 -1.494 1.00 0.00 C ATOM 605 CE LYS A 38 13.966 -3.342 -1.736 1.00 0.00 C ATOM 606 NZ LYS A 38 14.082 -4.570 -2.571 1.00 0.00 N ATOM 0 H LYS A 38 9.302 0.689 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 38 10.791 -0.344 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.296 -1.619 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.254 -0.480 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.286 -1.145 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.381 -2.136 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.975 -3.809 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.040 -2.708 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.483 -2.518 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.463 -3.505 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.086 -4.799 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.611 -5.363 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.630 -4.407 -3.493 1.00 0.00 H new ATOM 620 N ILE A 39 12.015 2.114 -0.582 1.00 0.00 N ATOM 621 CA ILE A 39 13.070 3.119 -0.634 1.00 0.00 C ATOM 622 C ILE A 39 12.955 4.097 0.531 1.00 0.00 C ATOM 623 O ILE A 39 13.961 4.573 1.056 1.00 0.00 O ATOM 624 CB ILE A 39 13.032 3.907 -1.957 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.217 2.961 -3.145 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.105 4.986 -1.961 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.597 3.472 -4.426 1.00 0.00 C ATOM 0 H ILE A 39 11.261 2.258 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 39 14.018 2.586 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 39 12.058 4.389 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.283 2.798 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.780 1.993 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.066 5.534 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 39 13.933 5.674 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.086 4.524 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.767 2.751 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.525 3.609 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.051 4.426 -4.695 1.00 0.00 H new ATOM 639 N ALA A 40 11.722 4.390 0.931 1.00 0.00 N ATOM 640 CA ALA A 40 11.475 5.308 2.036 1.00 0.00 C ATOM 641 C ALA A 40 12.008 4.742 3.348 1.00 0.00 C ATOM 642 O ALA A 40 12.697 5.434 4.099 1.00 0.00 O ATOM 643 CB ALA A 40 9.988 5.605 2.153 1.00 0.00 C ATOM 0 H ALA A 40 10.878 4.005 0.506 1.00 0.00 H new ATOM 0 HA ALA A 40 12.005 6.238 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.818 6.292 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.634 6.059 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.445 4.677 2.333 1.00 0.00 H new ATOM 649 N PHE A 41 11.686 3.482 3.619 1.00 0.00 N ATOM 650 CA PHE A 41 12.131 2.825 4.842 1.00 0.00 C ATOM 651 C PHE A 41 13.437 2.071 4.609 1.00 0.00 C ATOM 652 O PHE A 41 14.317 2.052 5.469 1.00 0.00 O ATOM 653 CB PHE A 41 11.056 1.861 5.349 1.00 0.00 C ATOM 654 CG PHE A 41 9.813 2.551 5.833 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.001 3.245 4.951 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.457 2.506 7.172 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.856 3.880 5.394 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.313 3.139 7.620 1.00 0.00 C ATOM 659 CZ PHE A 41 7.512 3.828 6.731 1.00 0.00 C ATOM 0 H PHE A 41 11.118 2.895 3.008 1.00 0.00 H new ATOM 0 HA PHE A 41 12.304 3.593 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.791 1.171 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.469 1.263 6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.266 3.290 3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.080 1.970 7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.231 4.416 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.046 3.095 8.665 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.619 4.325 7.080 1.00 0.00 H new ATOM 669 N GLY A 42 13.555 1.449 3.440 1.00 0.00 N ATOM 670 CA GLY A 42 14.755 0.701 3.115 1.00 0.00 C ATOM 671 C GLY A 42 14.637 -0.768 3.469 1.00 0.00 C ATOM 672 O GLY A 42 15.632 -1.417 3.792 1.00 0.00 O ATOM 0 H GLY A 42 12.841 1.450 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.963 0.799 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.603 1.132 3.646 1.00 0.00 H new ATOM 676 N GLN A 43 13.417 -1.293 3.410 1.00 0.00 N ATOM 677 CA GLN A 43 13.173 -2.695 3.730 1.00 0.00 C ATOM 678 C GLN A 43 11.946 -3.216 2.990 1.00 0.00 C ATOM 679 O GLN A 43 11.059 -2.447 2.620 1.00 0.00 O ATOM 680 CB GLN A 43 12.987 -2.870 5.238 1.00 0.00 C ATOM 681 CG GLN A 43 14.283 -3.144 5.983 1.00 0.00 C ATOM 682 CD GLN A 43 14.061 -3.424 7.457 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.306 -2.568 8.307 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.594 -4.628 7.767 1.00 0.00 N ATOM 0 H GLN A 43 12.583 -0.769 3.144 1.00 0.00 H new ATOM 0 HA GLN A 43 14.040 -3.272 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.527 -1.970 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.294 -3.692 5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.787 -3.996 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.947 -2.287 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.405 -5.307 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.425 -4.874 8.742 1.00 0.00 H new ATOM 693 N SER A 44 11.903 -4.527 2.776 1.00 0.00 N ATOM 694 CA SER A 44 10.786 -5.151 2.076 1.00 0.00 C ATOM 695 C SER A 44 9.599 -5.350 3.014 1.00 0.00 C ATOM 696 O SER A 44 9.699 -6.056 4.018 1.00 0.00 O ATOM 697 CB SER A 44 11.214 -6.496 1.486 1.00 0.00 C ATOM 698 OG SER A 44 11.938 -6.317 0.281 1.00 0.00 O ATOM 0 H SER A 44 12.628 -5.178 3.077 1.00 0.00 H new ATOM 0 HA SER A 44 10.481 -4.487 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.829 -7.034 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.334 -7.111 1.297 1.00 0.00 H new ATOM 0 HG SER A 44 12.686 -6.950 0.251 1.00 0.00 H new ATOM 704 N MET A 45 8.477 -4.722 2.680 1.00 0.00 N ATOM 705 CA MET A 45 7.270 -4.830 3.491 1.00 0.00 C ATOM 706 C MET A 45 6.027 -4.903 2.610 1.00 0.00 C ATOM 707 O MET A 45 6.012 -4.375 1.497 1.00 0.00 O ATOM 708 CB MET A 45 7.163 -3.639 4.445 1.00 0.00 C ATOM 709 CG MET A 45 7.462 -2.303 3.786 1.00 0.00 C ATOM 710 SD MET A 45 7.996 -1.049 4.967 1.00 0.00 S ATOM 711 CE MET A 45 9.365 -1.891 5.759 1.00 0.00 C ATOM 0 H MET A 45 8.378 -4.133 1.853 1.00 0.00 H new ATOM 0 HA MET A 45 7.335 -5.749 4.074 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.158 -3.610 4.866 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.852 -3.787 5.276 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.237 -2.440 3.032 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.571 -1.951 3.267 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.243 -1.245 5.751 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.099 -2.129 6.789 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.587 -2.812 5.220 1.00 0.00 H new ATOM 721 N ASP A 46 4.988 -5.560 3.113 1.00 0.00 N ATOM 722 CA ASP A 46 3.741 -5.701 2.371 1.00 0.00 C ATOM 723 C ASP A 46 2.938 -4.404 2.406 1.00 0.00 C ATOM 724 O ASP A 46 3.196 -3.524 3.228 1.00 0.00 O ATOM 725 CB ASP A 46 2.907 -6.847 2.947 1.00 0.00 C ATOM 726 CG ASP A 46 3.362 -8.203 2.446 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.448 -8.657 2.863 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.631 -8.812 1.636 1.00 0.00 O ATOM 0 H ASP A 46 4.985 -6.003 4.032 1.00 0.00 H new ATOM 0 HA ASP A 46 3.988 -5.927 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.968 -6.826 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.860 -6.698 2.684 1.00 0.00 H new ATOM 733 N LEU A 47 1.966 -4.293 1.508 1.00 0.00 N ATOM 734 CA LEU A 47 1.125 -3.102 1.434 1.00 0.00 C ATOM 735 C LEU A 47 -0.335 -3.449 1.706 1.00 0.00 C ATOM 736 O LEU A 47 -0.983 -4.123 0.904 1.00 0.00 O ATOM 737 CB LEU A 47 1.258 -2.445 0.059 1.00 0.00 C ATOM 738 CG LEU A 47 2.421 -1.465 -0.107 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.752 -2.188 0.034 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.335 -0.759 -1.452 1.00 0.00 C ATOM 0 H LEU A 47 1.740 -5.012 0.821 1.00 0.00 H new ATOM 0 HA LEU A 47 1.461 -2.401 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.362 -3.231 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.330 -1.917 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 47 2.354 -0.714 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.568 -1.475 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.814 -2.647 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.829 -2.961 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.170 -0.066 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.377 -1.497 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.397 -0.208 -1.514 1.00 0.00 H new ATOM 752 N HIS A 48 -0.847 -2.983 2.840 1.00 0.00 N ATOM 753 CA HIS A 48 -2.233 -3.241 3.216 1.00 0.00 C ATOM 754 C HIS A 48 -3.027 -1.941 3.290 1.00 0.00 C ATOM 755 O HIS A 48 -2.810 -1.119 4.180 1.00 0.00 O ATOM 756 CB HIS A 48 -2.291 -3.965 4.562 1.00 0.00 C ATOM 757 CG HIS A 48 -1.797 -5.378 4.504 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.686 -5.757 3.781 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.269 -6.505 5.085 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.496 -7.057 3.919 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.443 -7.535 4.706 1.00 0.00 N ATOM 0 H HIS A 48 -0.324 -2.425 3.515 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.680 -3.875 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.697 -3.411 5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.320 -3.963 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.134 -6.581 5.727 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.298 -7.631 3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.544 -8.510 4.987 1.00 0.00 H new ATOM 770 N TYR A 49 -3.947 -1.761 2.349 1.00 0.00 N ATOM 771 CA TYR A 49 -4.772 -0.559 2.305 1.00 0.00 C ATOM 772 C TYR A 49 -6.191 -0.855 2.781 1.00 0.00 C ATOM 773 O TYR A 49 -6.787 -1.866 2.408 1.00 0.00 O ATOM 774 CB TYR A 49 -4.806 0.010 0.886 1.00 0.00 C ATOM 775 CG TYR A 49 -5.994 -0.457 0.075 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.031 -1.735 -0.468 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.080 0.381 -0.149 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.114 -2.166 -1.209 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.167 -0.041 -0.888 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.180 -1.315 -1.417 1.00 0.00 C ATOM 781 OH TYR A 49 -9.261 -1.739 -2.155 1.00 0.00 O ATOM 0 H TYR A 49 -4.141 -2.432 1.606 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.330 0.179 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.819 1.099 0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.889 -0.272 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.198 -2.404 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.073 1.380 0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.126 -3.163 -1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.003 0.623 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.015 -1.130 -2.011 1.00 0.00 H new ATOM 791 N THR A 50 -6.728 0.036 3.609 1.00 0.00 N ATOM 792 CA THR A 50 -8.076 -0.127 4.138 1.00 0.00 C ATOM 793 C THR A 50 -9.066 0.772 3.406 1.00 0.00 C ATOM 794 O THR A 50 -8.871 1.984 3.320 1.00 0.00 O ATOM 795 CB THR A 50 -8.130 0.187 5.645 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.039 1.601 5.854 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.001 -0.514 6.385 1.00 0.00 C ATOM 0 H THR A 50 -6.249 0.878 3.928 1.00 0.00 H new ATOM 0 HA THR A 50 -8.353 -1.170 3.982 1.00 0.00 H new ATOM 0 HB THR A 50 -9.080 -0.177 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.192 2.068 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.060 -0.277 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.090 -1.592 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.043 -0.176 5.991 1.00 0.00 H new ATOM 805 N ASN A 51 -10.129 0.171 2.882 1.00 0.00 N ATOM 806 CA ASN A 51 -11.151 0.919 2.158 1.00 0.00 C ATOM 807 C ASN A 51 -12.076 1.652 3.125 1.00 0.00 C ATOM 808 O ASN A 51 -12.153 2.880 3.115 1.00 0.00 O ATOM 809 CB ASN A 51 -11.966 -0.022 1.268 1.00 0.00 C ATOM 810 CG ASN A 51 -13.300 0.576 0.865 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.530 1.775 1.026 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.187 -0.259 0.337 1.00 0.00 N ATOM 0 H ASN A 51 -10.305 -0.832 2.945 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.651 1.658 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.392 -0.259 0.372 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.136 -0.961 1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.102 0.086 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.954 -1.245 0.222 1.00 0.00 H new ATOM 819 N ASN A 52 -12.776 0.889 3.958 1.00 0.00 N ATOM 820 CA ASN A 52 -13.696 1.466 4.932 1.00 0.00 C ATOM 821 C ASN A 52 -13.337 1.026 6.348 1.00 0.00 C ATOM 822 O ASN A 52 -12.774 1.797 7.124 1.00 0.00 O ATOM 823 CB ASN A 52 -15.135 1.059 4.608 1.00 0.00 C ATOM 824 CG ASN A 52 -15.232 -0.369 4.108 1.00 0.00 C ATOM 825 OD1 ASN A 52 -14.459 -0.792 3.249 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.187 -1.120 4.645 1.00 0.00 N ATOM 0 H ASN A 52 -12.724 -0.129 3.978 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.611 2.551 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.751 1.172 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.540 1.734 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.302 -2.089 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.806 -0.728 5.355 1.00 0.00 H new ATOM 833 N GLU A 53 -13.665 -0.220 6.675 1.00 0.00 N ATOM 834 CA GLU A 53 -13.377 -0.762 7.998 1.00 0.00 C ATOM 835 C GLU A 53 -12.603 -2.073 7.891 1.00 0.00 C ATOM 836 O GLU A 53 -12.188 -2.646 8.900 1.00 0.00 O ATOM 837 CB GLU A 53 -14.676 -0.987 8.775 1.00 0.00 C ATOM 838 CG GLU A 53 -15.682 0.141 8.619 1.00 0.00 C ATOM 839 CD GLU A 53 -16.652 0.223 9.781 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.932 -0.828 10.394 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.132 1.337 10.077 1.00 0.00 O ATOM 0 H GLU A 53 -14.130 -0.872 6.043 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.762 -0.039 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.133 -1.919 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.441 -1.109 9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.149 1.088 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.241 -0.001 7.694 1.00 0.00 H new ATOM 848 N LEU A 54 -12.412 -2.542 6.663 1.00 0.00 N ATOM 849 CA LEU A 54 -11.687 -3.785 6.423 1.00 0.00 C ATOM 850 C LEU A 54 -10.274 -3.504 5.923 1.00 0.00 C ATOM 851 O LEU A 54 -9.912 -2.356 5.666 1.00 0.00 O ATOM 852 CB LEU A 54 -12.438 -4.648 5.407 1.00 0.00 C ATOM 853 CG LEU A 54 -13.683 -5.367 5.927 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.697 -5.555 4.809 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.308 -6.708 6.539 1.00 0.00 C ATOM 0 H LEU A 54 -12.749 -2.081 5.818 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.617 -4.324 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.732 -4.015 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.748 -5.396 5.015 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.137 -4.750 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.576 -6.068 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.990 -4.581 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.253 -6.150 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.207 -7.206 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.829 -7.331 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.619 -6.549 7.369 1.00 0.00 H new ATOM 867 N VAL A 55 -9.479 -4.561 5.786 1.00 0.00 N ATOM 868 CA VAL A 55 -8.106 -4.429 5.314 1.00 0.00 C ATOM 869 C VAL A 55 -7.857 -5.311 4.096 1.00 0.00 C ATOM 870 O VAL A 55 -8.107 -6.516 4.129 1.00 0.00 O ATOM 871 CB VAL A 55 -7.095 -4.796 6.416 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.670 -4.612 5.917 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.344 -3.964 7.665 1.00 0.00 C ATOM 0 H VAL A 55 -9.763 -5.518 5.995 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.966 -3.384 5.037 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.230 -5.846 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.970 -4.876 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.501 -5.256 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.517 -3.572 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.621 -4.236 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.237 -2.906 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.353 -4.153 8.033 1.00 0.00 H new ATOM 883 N ILE A 56 -7.362 -4.703 3.023 1.00 0.00 N ATOM 884 CA ILE A 56 -7.077 -5.435 1.795 1.00 0.00 C ATOM 885 C ILE A 56 -5.584 -5.427 1.485 1.00 0.00 C ATOM 886 O ILE A 56 -5.010 -4.410 1.096 1.00 0.00 O ATOM 887 CB ILE A 56 -7.842 -4.842 0.596 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.316 -4.642 0.953 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.703 -5.745 -0.620 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.599 -3.323 1.637 1.00 0.00 C ATOM 0 H ILE A 56 -7.150 -3.706 2.979 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.407 -6.461 1.955 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.411 -3.871 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.913 -4.706 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.637 -5.456 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.249 -5.313 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.650 -5.841 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.111 -6.729 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.663 -3.250 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.029 -3.264 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.309 -2.503 0.980 1.00 0.00 H new ATOM 902 N PRO A 57 -4.938 -6.590 1.658 1.00 0.00 N ATOM 903 CA PRO A 57 -3.503 -6.745 1.400 1.00 0.00 C ATOM 904 C PRO A 57 -3.170 -6.669 -0.086 1.00 0.00 C ATOM 905 O PRO A 57 -3.279 -7.660 -0.809 1.00 0.00 O ATOM 906 CB PRO A 57 -3.193 -8.140 1.947 1.00 0.00 C ATOM 907 CG PRO A 57 -4.489 -8.872 1.876 1.00 0.00 C ATOM 908 CD PRO A 57 -5.559 -7.843 2.119 1.00 0.00 C ATOM 0 HA PRO A 57 -2.917 -5.951 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.425 -8.636 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.822 -8.090 2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.617 -9.346 0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.532 -9.664 2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.468 -8.069 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.835 -7.791 3.172 1.00 0.00 H new ATOM 916 N LEU A 58 -2.763 -5.487 -0.537 1.00 0.00 N ATOM 917 CA LEU A 58 -2.413 -5.282 -1.938 1.00 0.00 C ATOM 918 C LEU A 58 -1.302 -6.236 -2.367 1.00 0.00 C ATOM 919 O LEU A 58 -0.121 -5.972 -2.142 1.00 0.00 O ATOM 920 CB LEU A 58 -1.975 -3.834 -2.167 1.00 0.00 C ATOM 921 CG LEU A 58 -3.098 -2.803 -2.281 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.632 -1.449 -1.770 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.579 -2.695 -3.721 1.00 0.00 C ATOM 0 H LEU A 58 -2.667 -4.656 0.047 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.296 -5.488 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.321 -3.539 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.380 -3.796 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.933 -3.134 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.444 -0.727 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.337 -1.537 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.780 -1.111 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.378 -1.957 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.751 -2.388 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.953 -3.663 -4.053 1.00 0.00 H new ATOM 935 N THR A 59 -1.690 -7.345 -2.989 1.00 0.00 N ATOM 936 CA THR A 59 -0.728 -8.338 -3.451 1.00 0.00 C ATOM 937 C THR A 59 -0.659 -8.369 -4.973 1.00 0.00 C ATOM 938 O THR A 59 0.426 -8.395 -5.556 1.00 0.00 O ATOM 939 CB THR A 59 -1.082 -9.745 -2.935 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.351 -10.154 -3.457 1.00 0.00 O ATOM 941 CG2 THR A 59 -1.122 -9.770 -1.414 1.00 0.00 C ATOM 0 H THR A 59 -2.664 -7.578 -3.184 1.00 0.00 H new ATOM 0 HA THR A 59 0.244 -8.047 -3.052 1.00 0.00 H new ATOM 0 HB THR A 59 -0.310 -10.436 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.568 -11.050 -3.125 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.374 -10.774 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.146 -9.487 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.875 -9.066 -1.058 1.00 0.00 H new ATOM 949 N THR A 60 -1.824 -8.367 -5.614 1.00 0.00 N ATOM 950 CA THR A 60 -1.896 -8.396 -7.069 1.00 0.00 C ATOM 951 C THR A 60 -2.399 -7.067 -7.622 1.00 0.00 C ATOM 952 O THR A 60 -3.108 -6.330 -6.937 1.00 0.00 O ATOM 953 CB THR A 60 -2.817 -9.527 -7.564 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.148 -9.323 -7.077 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.304 -10.883 -7.103 1.00 0.00 C ATOM 0 H THR A 60 -2.731 -8.346 -5.147 1.00 0.00 H new ATOM 0 HA THR A 60 -0.884 -8.577 -7.431 1.00 0.00 H new ATOM 0 HB THR A 60 -2.823 -9.511 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.728 -10.045 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.970 -11.666 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.302 -11.047 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.271 -10.909 -6.014 1.00 0.00 H new ATOM 963 N GLN A 61 -2.030 -6.770 -8.863 1.00 0.00 N ATOM 964 CA GLN A 61 -2.446 -5.529 -9.507 1.00 0.00 C ATOM 965 C GLN A 61 -3.961 -5.364 -9.443 1.00 0.00 C ATOM 966 O GLN A 61 -4.464 -4.288 -9.117 1.00 0.00 O ATOM 967 CB GLN A 61 -1.979 -5.504 -10.963 1.00 0.00 C ATOM 968 CG GLN A 61 -2.314 -4.210 -11.687 1.00 0.00 C ATOM 969 CD GLN A 61 -1.440 -3.052 -11.248 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.301 -3.246 -10.823 1.00 0.00 O ATOM 971 NE2 GLN A 61 -1.970 -1.838 -11.349 1.00 0.00 N ATOM 0 H GLN A 61 -1.444 -7.371 -9.443 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.986 -4.699 -8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.900 -5.658 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.435 -6.338 -11.497 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.200 -4.359 -12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.360 -3.959 -11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.918 -1.724 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.429 -1.020 -11.069 1.00 0.00 H new ATOM 980 N ASP A 62 -4.681 -6.435 -9.756 1.00 0.00 N ATOM 981 CA ASP A 62 -6.139 -6.409 -9.733 1.00 0.00 C ATOM 982 C ASP A 62 -6.650 -5.623 -8.530 1.00 0.00 C ATOM 983 O ASP A 62 -7.558 -4.800 -8.653 1.00 0.00 O ATOM 984 CB ASP A 62 -6.696 -7.833 -9.702 1.00 0.00 C ATOM 985 CG ASP A 62 -6.611 -8.518 -11.052 1.00 0.00 C ATOM 986 OD1 ASP A 62 -6.606 -7.807 -12.078 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.551 -9.765 -11.082 1.00 0.00 O ATOM 0 H ASP A 62 -4.279 -7.332 -10.029 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.483 -5.913 -10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.146 -8.419 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.736 -7.806 -9.376 1.00 0.00 H new ATOM 992 N ASP A 63 -6.062 -5.882 -7.367 1.00 0.00 N ATOM 993 CA ASP A 63 -6.458 -5.199 -6.141 1.00 0.00 C ATOM 994 C ASP A 63 -6.157 -3.706 -6.229 1.00 0.00 C ATOM 995 O ASP A 63 -7.035 -2.871 -6.007 1.00 0.00 O ATOM 996 CB ASP A 63 -5.735 -5.807 -4.938 1.00 0.00 C ATOM 997 CG ASP A 63 -6.201 -7.218 -4.635 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.409 -7.992 -5.593 1.00 0.00 O ATOM 999 OD2 ASP A 63 -6.358 -7.548 -3.441 1.00 0.00 O ATOM 0 H ASP A 63 -5.309 -6.560 -7.248 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.533 -5.328 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.662 -5.815 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.899 -5.178 -4.063 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.912 -3.377 -6.555 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.495 -1.984 -6.672 1.00 0.00 C ATOM 1006 C LEU A 64 -5.441 -1.207 -7.581 1.00 0.00 C ATOM 1007 O LEU A 64 -5.977 -0.169 -7.193 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.067 -1.903 -7.213 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.637 -0.546 -7.773 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.681 0.517 -6.687 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.244 -0.635 -8.378 1.00 0.00 C ATOM 0 H LEU A 64 -4.174 -4.055 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.526 -1.536 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.380 -2.177 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.955 -2.650 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.335 -0.262 -8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.372 1.476 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.697 0.600 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.006 0.239 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.955 0.340 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.533 -0.942 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.244 -1.367 -9.186 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.642 -1.717 -8.791 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.526 -1.072 -9.755 1.00 0.00 C ATOM 1025 C ASP A 65 -7.887 -0.777 -9.131 1.00 0.00 C ATOM 1026 O ASP A 65 -8.495 0.259 -9.403 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.699 -1.956 -10.991 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.951 -1.149 -12.250 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.798 -0.232 -12.207 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.300 -1.434 -13.276 1.00 0.00 O ATOM 0 H ASP A 65 -5.205 -2.575 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.071 -0.128 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.805 -2.565 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.531 -2.642 -10.830 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.360 -1.694 -8.295 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.649 -1.533 -7.631 1.00 0.00 C ATOM 1037 C LYS A 66 -9.552 -0.524 -6.491 1.00 0.00 C ATOM 1038 O LYS A 66 -10.556 0.047 -6.068 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.141 -2.879 -7.095 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.981 -3.660 -8.091 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.826 -4.717 -7.400 1.00 0.00 C ATOM 1042 CE LYS A 66 -13.165 -4.152 -6.949 1.00 0.00 C ATOM 1043 NZ LYS A 66 -14.215 -5.206 -6.875 1.00 0.00 N ATOM 0 H LYS A 66 -7.870 -2.557 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.363 -1.158 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.280 -3.482 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.728 -2.709 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.629 -2.975 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.329 -4.136 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.993 -5.553 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.286 -5.110 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.051 -3.684 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.482 -3.372 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.112 -4.781 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.342 -5.636 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.925 -5.938 -6.196 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.336 -0.310 -5.999 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.108 0.632 -4.911 1.00 0.00 C ATOM 1059 C ALA A 67 -7.931 2.051 -5.440 1.00 0.00 C ATOM 1060 O ALA A 67 -8.361 3.018 -4.811 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.891 0.215 -4.098 1.00 0.00 C ATOM 0 H ALA A 67 -7.494 -0.776 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.985 0.620 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.733 0.928 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.056 -0.778 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.012 0.196 -4.742 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.296 2.170 -6.602 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.063 3.471 -7.217 1.00 0.00 C ATOM 1069 C VAL A 68 -8.335 4.011 -7.859 1.00 0.00 C ATOM 1070 O VAL A 68 -8.591 5.214 -7.837 1.00 0.00 O ATOM 1071 CB VAL A 68 -5.954 3.397 -8.283 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.696 4.772 -8.882 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.679 2.819 -7.687 1.00 0.00 C ATOM 0 H VAL A 68 -6.934 1.380 -7.136 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.747 4.145 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.287 2.735 -9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.909 4.700 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.609 5.143 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.384 5.459 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.906 2.774 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.340 3.453 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.876 1.815 -7.311 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.130 3.112 -8.432 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.377 3.499 -9.081 1.00 0.00 C ATOM 1085 C GLU A 69 -11.421 3.916 -8.049 1.00 0.00 C ATOM 1086 O GLU A 69 -12.129 4.908 -8.231 1.00 0.00 O ATOM 1087 CB GLU A 69 -10.916 2.346 -9.930 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.410 1.166 -9.110 1.00 0.00 C ATOM 1089 CD GLU A 69 -11.889 0.015 -9.974 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -11.215 -0.292 -10.979 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.939 -0.577 -9.646 1.00 0.00 O ATOM 0 H GLU A 69 -8.933 2.112 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.170 4.351 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.733 2.714 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.131 2.005 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.607 0.818 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.224 1.493 -8.463 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.512 3.153 -6.966 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.470 3.441 -5.904 1.00 0.00 C ATOM 1100 C LEU A 70 -12.123 4.749 -5.200 1.00 0.00 C ATOM 1101 O LEU A 70 -13.003 5.440 -4.683 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.499 2.295 -4.892 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.517 2.405 -3.725 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.086 3.294 -2.630 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.185 1.025 -3.175 1.00 0.00 C ATOM 0 H LEU A 70 -10.934 2.329 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.457 3.543 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.508 2.221 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.299 1.364 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.597 2.859 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.373 3.360 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.272 4.291 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.021 2.869 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.485 1.123 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.098 0.544 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.734 0.419 -3.961 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.838 5.084 -5.183 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.375 6.311 -4.544 1.00 0.00 C ATOM 1119 C LEU A 71 -10.758 7.534 -5.371 1.00 0.00 C ATOM 1120 O LEU A 71 -11.163 8.561 -4.827 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.858 6.267 -4.350 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.196 7.582 -3.936 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.633 7.981 -2.535 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.681 7.462 -4.011 1.00 0.00 C ATOM 0 H LEU A 71 -10.098 4.523 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.858 6.389 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.630 5.515 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.402 5.931 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.513 8.361 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.152 8.919 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.715 8.108 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.345 7.202 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.226 8.407 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.345 6.670 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.385 7.223 -5.032 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.630 7.415 -6.688 1.00 0.00 N ATOM 1137 CA ASP A 72 -10.965 8.510 -7.591 1.00 0.00 C ATOM 1138 C ASP A 72 -12.457 8.824 -7.533 1.00 0.00 C ATOM 1139 O ASP A 72 -12.863 9.981 -7.637 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.560 8.161 -9.023 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.403 9.390 -9.897 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -9.950 10.432 -9.378 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -10.731 9.309 -11.098 1.00 0.00 O ATOM 0 H ASP A 72 -10.297 6.571 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.413 9.394 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.621 7.608 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.311 7.502 -9.459 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.269 7.784 -7.368 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.716 7.949 -7.299 1.00 0.00 C ATOM 1150 C ARG A 73 -15.156 8.308 -5.883 1.00 0.00 C ATOM 1151 O ARG A 73 -16.132 9.032 -5.690 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.419 6.668 -7.753 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.288 5.519 -6.767 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.874 4.233 -7.328 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.320 4.160 -7.136 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.891 3.758 -6.006 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.143 3.395 -4.973 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.214 3.719 -5.907 1.00 0.00 N ATOM 0 H ARG A 73 -12.949 6.819 -7.280 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.995 8.765 -7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.476 6.881 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.008 6.359 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.237 5.365 -6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.796 5.776 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.646 4.165 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.401 3.378 -6.845 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.924 4.432 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.126 3.424 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.585 3.087 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.793 3.998 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.652 3.410 -5.039 1.00 0.00 H new ATOM 1172 N SER A 74 -14.428 7.796 -4.895 1.00 0.00 N ATOM 1173 CA SER A 74 -14.746 8.059 -3.497 1.00 0.00 C ATOM 1174 C SER A 74 -14.826 9.559 -3.230 1.00 0.00 C ATOM 1175 O SER A 74 -14.085 10.346 -3.820 1.00 0.00 O ATOM 1176 CB SER A 74 -13.694 7.423 -2.585 1.00 0.00 C ATOM 1177 OG SER A 74 -12.417 8.000 -2.800 1.00 0.00 O ATOM 0 H SER A 74 -13.615 7.197 -5.037 1.00 0.00 H new ATOM 0 HA SER A 74 -15.719 7.617 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.985 7.554 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.648 6.350 -2.771 1.00 0.00 H new ATOM 0 HG SER A 74 -12.413 8.475 -3.657 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.731 9.947 -2.339 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.909 11.352 -1.993 1.00 0.00 C ATOM 1185 C ILE A 75 -15.402 11.640 -0.584 1.00 0.00 C ATOM 1186 O ILE A 75 -14.635 12.580 -0.368 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.387 11.774 -2.091 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.915 11.536 -3.507 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.548 13.234 -1.698 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.424 11.555 -3.601 1.00 0.00 C ATOM 0 H ILE A 75 -16.353 9.308 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.327 11.929 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.970 11.166 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.508 12.299 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.549 10.574 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.598 13.517 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -17.206 13.375 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.956 13.858 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.726 11.380 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.838 10.774 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.797 12.526 -3.274 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.833 10.824 0.372 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.421 10.989 1.762 1.00 0.00 C ATOM 1204 C HIS A 76 -13.923 10.747 1.917 1.00 0.00 C ATOM 1205 O HIS A 76 -13.221 11.528 2.558 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.201 10.033 2.664 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.366 8.662 2.083 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.230 8.193 1.153 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.586 7.588 2.456 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.958 6.858 0.980 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.961 6.518 1.778 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.467 10.042 0.210 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.638 12.015 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.690 9.953 3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.186 10.456 2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.792 7.617 3.188 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.475 6.194 0.302 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.551 5.588 1.857 1.00 0.00 H new ATOM 1220 N MET A 77 -13.441 9.659 1.325 1.00 0.00 N ATOM 1221 CA MET A 77 -12.026 9.314 1.397 1.00 0.00 C ATOM 1222 C MET A 77 -11.171 10.375 0.712 1.00 0.00 C ATOM 1223 O MET A 77 -11.541 10.901 -0.338 1.00 0.00 O ATOM 1224 CB MET A 77 -11.778 7.949 0.753 1.00 0.00 C ATOM 1225 CG MET A 77 -10.395 7.385 1.037 1.00 0.00 C ATOM 1226 SD MET A 77 -10.372 5.582 1.063 1.00 0.00 S ATOM 1227 CE MET A 77 -9.684 5.229 -0.553 1.00 0.00 C ATOM 0 H MET A 77 -14.009 9.002 0.791 1.00 0.00 H new ATOM 0 HA MET A 77 -11.743 9.268 2.449 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.529 7.245 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.912 8.035 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.698 7.742 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.043 7.763 1.997 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.754 4.160 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.240 5.777 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.638 5.535 -0.578 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.028 10.687 1.312 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.120 11.685 0.759 1.00 0.00 C ATOM 1239 C LYS A 78 -7.999 11.021 -0.035 1.00 0.00 C ATOM 1240 O LYS A 78 -7.818 11.297 -1.220 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.527 12.541 1.881 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.541 13.450 2.553 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.620 14.803 1.865 1.00 0.00 C ATOM 1244 CE LYS A 78 -10.410 14.723 0.568 1.00 0.00 C ATOM 1245 NZ LYS A 78 -11.101 16.005 0.258 1.00 0.00 N ATOM 0 H LYS A 78 -9.708 10.263 2.183 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.689 12.324 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.085 11.886 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.719 13.150 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.522 12.976 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.270 13.588 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.088 15.526 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.613 15.166 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.738 14.466 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.146 13.922 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.628 15.909 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.761 16.238 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.397 16.765 0.164 1.00 0.00 H new ATOM 1259 N SER A 79 -7.251 10.144 0.627 1.00 0.00 N ATOM 1260 CA SER A 79 -6.147 9.442 -0.017 1.00 0.00 C ATOM 1261 C SER A 79 -6.205 7.947 0.281 1.00 0.00 C ATOM 1262 O SER A 79 -7.009 7.496 1.098 1.00 0.00 O ATOM 1263 CB SER A 79 -4.808 10.016 0.451 1.00 0.00 C ATOM 1264 OG SER A 79 -4.737 10.056 1.866 1.00 0.00 O ATOM 0 H SER A 79 -7.389 9.903 1.608 1.00 0.00 H new ATOM 0 HA SER A 79 -6.238 9.583 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.992 9.409 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.679 11.021 0.049 1.00 0.00 H new ATOM 0 HG SER A 79 -3.871 10.425 2.140 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.347 7.184 -0.386 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.300 5.738 -0.193 1.00 0.00 C ATOM 1272 C LEU A 80 -4.400 5.375 0.984 1.00 0.00 C ATOM 1273 O LEU A 80 -3.174 5.388 0.870 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.798 5.051 -1.465 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.991 3.535 -1.529 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.445 3.194 -1.815 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.080 2.926 -2.585 1.00 0.00 C ATOM 0 H LEU A 80 -4.675 7.541 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.310 5.392 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.305 5.498 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.735 5.267 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.724 3.112 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.563 2.111 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.076 3.598 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.739 3.628 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.230 1.847 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.315 3.354 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.041 3.140 -2.336 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.017 5.050 2.115 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.274 4.679 3.313 1.00 0.00 C ATOM 1291 C LYS A 81 -3.608 3.318 3.141 1.00 0.00 C ATOM 1292 O LYS A 81 -4.249 2.351 2.727 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.204 4.654 4.528 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.539 4.138 5.792 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.168 4.739 7.038 1.00 0.00 C ATOM 1296 CE LYS A 81 -6.338 3.901 7.531 1.00 0.00 C ATOM 1297 NZ LYS A 81 -7.206 4.661 8.473 1.00 0.00 N ATOM 0 H LYS A 81 -6.031 5.036 2.227 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.497 5.426 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.578 5.662 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.068 4.029 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.621 3.052 5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.476 4.377 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.417 4.816 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.509 5.751 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.931 3.568 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.961 3.006 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.992 4.056 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.647 4.957 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.587 5.501 7.993 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.321 3.249 3.462 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.570 2.004 3.345 1.00 0.00 C ATOM 1313 C ILE A 82 -0.950 1.609 4.681 1.00 0.00 C ATOM 1314 O ILE A 82 -0.553 2.466 5.472 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.456 2.116 2.288 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.027 2.634 0.966 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.221 0.768 2.087 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.116 1.754 0.393 1.00 0.00 C ATOM 0 H ILE A 82 -1.776 4.040 3.805 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.278 1.236 3.034 1.00 0.00 H new ATOM 0 HB ILE A 82 0.291 2.826 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.425 3.637 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.219 2.719 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.006 0.863 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.658 0.436 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.515 0.038 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.474 2.182 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.718 0.756 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.942 1.689 1.102 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.868 0.306 4.926 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.293 -0.205 6.166 1.00 0.00 C ATOM 1332 C LEU A 83 0.836 -1.189 5.878 1.00 0.00 C ATOM 1333 O LEU A 83 0.593 -2.335 5.498 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.374 -0.883 7.010 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.370 0.050 7.701 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.683 0.844 8.801 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.015 0.985 6.688 1.00 0.00 C ATOM 0 H LEU A 83 -1.192 -0.416 4.283 1.00 0.00 H new ATOM 0 HA LEU A 83 0.118 0.638 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.931 -1.567 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.885 -1.489 7.773 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.153 -0.557 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.407 1.502 9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.269 0.158 9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.879 1.441 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.721 1.642 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.244 1.585 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.543 0.398 5.936 1.00 0.00 H new ATOM 1349 N LEU A 84 2.071 -0.735 6.064 1.00 0.00 N ATOM 1350 CA LEU A 84 3.238 -1.577 5.827 1.00 0.00 C ATOM 1351 C LEU A 84 3.409 -2.599 6.946 1.00 0.00 C ATOM 1352 O LEU A 84 3.246 -2.279 8.123 1.00 0.00 O ATOM 1353 CB LEU A 84 4.497 -0.715 5.711 1.00 0.00 C ATOM 1354 CG LEU A 84 4.412 0.472 4.751 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.621 1.380 4.917 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.298 -0.011 3.313 1.00 0.00 C ATOM 0 H LEU A 84 2.290 0.211 6.378 1.00 0.00 H new ATOM 0 HA LEU A 84 3.084 -2.114 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.747 -0.337 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.322 -1.353 5.395 1.00 0.00 H new ATOM 0 HG LEU A 84 3.517 1.046 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.543 2.219 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.657 1.755 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.530 0.818 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.239 0.848 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.174 -0.608 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.400 -0.619 3.203 1.00 0.00 H new ATOM 1368 N VAL A 85 3.741 -3.830 6.570 1.00 0.00 N ATOM 1369 CA VAL A 85 3.938 -4.899 7.542 1.00 0.00 C ATOM 1370 C VAL A 85 5.206 -5.690 7.239 1.00 0.00 C ATOM 1371 O VAL A 85 5.284 -6.396 6.234 1.00 0.00 O ATOM 1372 CB VAL A 85 2.738 -5.864 7.566 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.961 -6.969 8.587 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.452 -5.106 7.860 1.00 0.00 C ATOM 0 H VAL A 85 3.879 -4.112 5.599 1.00 0.00 H new ATOM 0 HA VAL A 85 4.033 -4.425 8.519 1.00 0.00 H new ATOM 0 HB VAL A 85 2.645 -6.325 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.103 -7.641 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.859 -7.529 8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.081 -6.530 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.614 -5.803 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.532 -4.616 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.287 -4.355 7.087 1.00 0.00 H new ATOM 1384 N ILE A 86 6.196 -5.568 8.116 1.00 0.00 N ATOM 1385 CA ILE A 86 7.460 -6.273 7.944 1.00 0.00 C ATOM 1386 C ILE A 86 7.233 -7.695 7.443 1.00 0.00 C ATOM 1387 O ILE A 86 6.361 -8.407 7.940 1.00 0.00 O ATOM 1388 CB ILE A 86 8.260 -6.326 9.259 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.555 -4.910 9.759 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.552 -7.105 9.063 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.455 -4.119 8.836 1.00 0.00 C ATOM 0 H ILE A 86 6.147 -4.987 8.953 1.00 0.00 H new ATOM 0 HA ILE A 86 8.033 -5.716 7.203 1.00 0.00 H new ATOM 0 HB ILE A 86 7.661 -6.839 10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.614 -4.374 9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.020 -4.970 10.743 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.106 -7.133 10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.319 -8.122 8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.158 -6.618 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.621 -3.126 9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.410 -4.633 8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.983 -4.027 7.858 1.00 0.00 H new ATOM 1403 N ASN A 87 8.024 -8.103 6.456 1.00 0.00 N ATOM 1404 CA ASN A 87 7.910 -9.441 5.888 1.00 0.00 C ATOM 1405 C ASN A 87 9.266 -9.944 5.403 1.00 0.00 C ATOM 1406 O ASN A 87 10.008 -9.219 4.743 1.00 0.00 O ATOM 1407 CB ASN A 87 6.908 -9.443 4.731 1.00 0.00 C ATOM 1408 CG ASN A 87 6.302 -10.813 4.494 1.00 0.00 C ATOM 1409 OD1 ASN A 87 5.392 -11.233 5.208 1.00 0.00 O ATOM 1410 ND2 ASN A 87 6.805 -11.516 3.486 1.00 0.00 N ATOM 0 H ASN A 87 8.751 -7.526 6.033 1.00 0.00 H new ATOM 0 HA ASN A 87 7.553 -10.111 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.112 -8.728 4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.406 -9.107 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.437 -12.444 3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.560 -11.128 2.920 1.00 0.00 H new ATOM 1417 N GLY A 88 9.582 -11.192 5.735 1.00 0.00 N ATOM 1418 CA GLY A 88 10.848 -11.771 5.324 1.00 0.00 C ATOM 1419 C GLY A 88 10.864 -12.147 3.856 1.00 0.00 C ATOM 1420 O GLY A 88 11.433 -11.431 3.032 1.00 0.00 O ATOM 0 H GLY A 88 8.984 -11.812 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.650 -11.061 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.051 -12.657 5.925 1.00 0.00 H new ATOM 1424 N SER A 89 10.240 -13.273 3.528 1.00 0.00 N ATOM 1425 CA SER A 89 10.191 -13.746 2.149 1.00 0.00 C ATOM 1426 C SER A 89 9.804 -12.615 1.201 1.00 0.00 C ATOM 1427 O SER A 89 8.729 -12.027 1.321 1.00 0.00 O ATOM 1428 CB SER A 89 9.194 -14.899 2.019 1.00 0.00 C ATOM 1429 OG SER A 89 9.227 -15.457 0.716 1.00 0.00 O ATOM 0 H SER A 89 9.761 -13.875 4.198 1.00 0.00 H new ATOM 0 HA SER A 89 11.185 -14.102 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.426 -15.670 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.188 -14.541 2.239 1.00 0.00 H new ATOM 0 HG SER A 89 8.582 -16.193 0.659 1.00 0.00 H new ATOM 1435 N THR A 90 10.690 -12.315 0.256 1.00 0.00 N ATOM 1436 CA THR A 90 10.445 -11.254 -0.713 1.00 0.00 C ATOM 1437 C THR A 90 10.525 -11.784 -2.140 1.00 0.00 C ATOM 1438 O THR A 90 11.496 -12.441 -2.513 1.00 0.00 O ATOM 1439 CB THR A 90 11.451 -10.099 -0.548 1.00 0.00 C ATOM 1440 OG1 THR A 90 11.383 -9.576 0.783 1.00 0.00 O ATOM 1441 CG2 THR A 90 11.168 -8.989 -1.549 1.00 0.00 C ATOM 0 H THR A 90 11.584 -12.792 0.141 1.00 0.00 H new ATOM 0 HA THR A 90 9.439 -10.879 -0.524 1.00 0.00 H new ATOM 0 HB THR A 90 12.452 -10.489 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.568 -10.292 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.891 -8.184 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.249 -9.383 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.161 -8.603 -1.389 1.00 0.00 H new ATOM 1449 N GLN A 91 9.499 -11.492 -2.933 1.00 0.00 N ATOM 1450 CA GLN A 91 9.455 -11.940 -4.320 1.00 0.00 C ATOM 1451 C GLN A 91 8.512 -11.069 -5.143 1.00 0.00 C ATOM 1452 O GLN A 91 7.331 -10.940 -4.823 1.00 0.00 O ATOM 1453 CB GLN A 91 9.011 -13.402 -4.392 1.00 0.00 C ATOM 1454 CG GLN A 91 9.528 -14.135 -5.620 1.00 0.00 C ATOM 1455 CD GLN A 91 8.713 -15.370 -5.948 1.00 0.00 C ATOM 1456 OE1 GLN A 91 7.500 -15.293 -6.148 1.00 0.00 O ATOM 1457 NE2 GLN A 91 9.376 -16.519 -6.006 1.00 0.00 N ATOM 0 H GLN A 91 8.688 -10.948 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 91 10.459 -11.852 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.354 -13.922 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.922 -13.443 -4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.515 -13.458 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.567 -14.423 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.381 -16.537 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.880 -17.384 -6.223 1.00 0.00 H new ATOM 1466 N ALA A 92 9.042 -10.472 -6.206 1.00 0.00 N ATOM 1467 CA ALA A 92 8.247 -9.614 -7.076 1.00 0.00 C ATOM 1468 C ALA A 92 8.240 -10.141 -8.507 1.00 0.00 C ATOM 1469 O ALA A 92 9.214 -10.739 -8.966 1.00 0.00 O ATOM 1470 CB ALA A 92 8.777 -8.188 -7.039 1.00 0.00 C ATOM 0 H ALA A 92 10.018 -10.567 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 92 7.220 -9.617 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.174 -7.559 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.725 -7.807 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.813 -8.176 -7.378 1.00 0.00 H new ATOM 1476 N THR A 93 7.134 -9.915 -9.210 1.00 0.00 N ATOM 1477 CA THR A 93 6.999 -10.368 -10.589 1.00 0.00 C ATOM 1478 C THR A 93 5.875 -9.626 -11.304 1.00 0.00 C ATOM 1479 O THR A 93 4.803 -9.413 -10.740 1.00 0.00 O ATOM 1480 CB THR A 93 6.724 -11.882 -10.658 1.00 0.00 C ATOM 1481 OG1 THR A 93 6.669 -12.308 -12.024 1.00 0.00 O ATOM 1482 CG2 THR A 93 5.417 -12.228 -9.961 1.00 0.00 C ATOM 0 H THR A 93 6.319 -9.421 -8.847 1.00 0.00 H new ATOM 0 HA THR A 93 7.945 -10.155 -11.086 1.00 0.00 H new ATOM 0 HB THR A 93 7.537 -12.400 -10.148 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.496 -13.272 -12.059 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.245 -13.303 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.473 -11.929 -8.914 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.595 -11.700 -10.446 1.00 0.00 H new ATOM 1490 N ASN A 94 6.129 -9.236 -12.549 1.00 0.00 N ATOM 1491 CA ASN A 94 5.138 -8.518 -13.341 1.00 0.00 C ATOM 1492 C ASN A 94 4.665 -9.365 -14.519 1.00 0.00 C ATOM 1493 O ASN A 94 5.461 -9.765 -15.369 1.00 0.00 O ATOM 1494 CB ASN A 94 5.721 -7.198 -13.850 1.00 0.00 C ATOM 1495 CG ASN A 94 4.668 -6.304 -14.477 1.00 0.00 C ATOM 1496 OD1 ASN A 94 3.539 -6.220 -13.991 1.00 0.00 O ATOM 1497 ND2 ASN A 94 5.032 -5.632 -15.562 1.00 0.00 N ATOM 0 H ASN A 94 7.012 -9.405 -13.031 1.00 0.00 H new ATOM 0 HA ASN A 94 4.281 -8.307 -12.701 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.196 -6.671 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.500 -7.407 -14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.366 -5.016 -16.028 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.978 -5.732 -15.930 1.00 0.00 H new ATOM 1504 N LEU A 95 3.365 -9.634 -14.562 1.00 0.00 N ATOM 1505 CA LEU A 95 2.784 -10.433 -15.636 1.00 0.00 C ATOM 1506 C LEU A 95 2.360 -9.549 -16.804 1.00 0.00 C ATOM 1507 O LEU A 95 2.852 -9.703 -17.921 1.00 0.00 O ATOM 1508 CB LEU A 95 1.582 -11.224 -15.117 1.00 0.00 C ATOM 1509 CG LEU A 95 1.093 -12.365 -16.009 1.00 0.00 C ATOM 1510 CD1 LEU A 95 2.074 -13.527 -15.975 1.00 0.00 C ATOM 1511 CD2 LEU A 95 -0.293 -12.823 -15.579 1.00 0.00 C ATOM 0 H LEU A 95 2.693 -9.311 -13.866 1.00 0.00 H new ATOM 0 HA LEU A 95 3.544 -11.130 -15.989 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.838 -11.637 -14.141 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.755 -10.530 -14.963 1.00 0.00 H new ATOM 0 HG LEU A 95 1.031 -11.998 -17.033 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.709 -14.330 -16.616 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.048 -13.192 -16.332 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.169 -13.893 -14.953 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.624 -13.636 -16.225 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.257 -13.172 -14.547 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.992 -11.990 -15.656 1.00 0.00 H new ATOM 1523 N GLU A 96 1.445 -8.622 -16.537 1.00 0.00 N ATOM 1524 CA GLU A 96 0.956 -7.713 -17.567 1.00 0.00 C ATOM 1525 C GLU A 96 0.563 -8.479 -18.827 1.00 0.00 C ATOM 1526 O GLU A 96 1.039 -8.199 -19.928 1.00 0.00 O ATOM 1527 CB GLU A 96 2.022 -6.668 -17.903 1.00 0.00 C ATOM 1528 CG GLU A 96 1.447 -5.338 -18.361 1.00 0.00 C ATOM 1529 CD GLU A 96 1.195 -5.294 -19.856 1.00 0.00 C ATOM 1530 OE1 GLU A 96 2.172 -5.416 -20.625 1.00 0.00 O ATOM 1531 OE2 GLU A 96 0.023 -5.139 -20.256 1.00 0.00 O ATOM 0 H GLU A 96 1.028 -8.481 -15.617 1.00 0.00 H new ATOM 0 HA GLU A 96 0.071 -7.208 -17.180 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.645 -6.502 -17.024 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.671 -7.062 -18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.512 -5.150 -17.833 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.134 -4.537 -18.089 1.00 0.00 H new ATOM 1538 N PRO A 97 -0.326 -9.470 -18.663 1.00 0.00 N ATOM 1539 CA PRO A 97 -0.803 -10.297 -19.776 1.00 0.00 C ATOM 1540 C PRO A 97 -1.698 -9.519 -20.734 1.00 0.00 C ATOM 1541 O PRO A 97 -1.912 -8.319 -20.563 1.00 0.00 O ATOM 1542 CB PRO A 97 -1.598 -11.404 -19.079 1.00 0.00 C ATOM 1543 CG PRO A 97 -2.032 -10.803 -17.787 1.00 0.00 C ATOM 1544 CD PRO A 97 -0.934 -9.859 -17.380 1.00 0.00 C ATOM 0 HA PRO A 97 0.018 -10.666 -20.391 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.454 -11.714 -19.679 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.984 -12.290 -18.917 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.979 -10.275 -17.901 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.185 -11.573 -17.031 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.325 -8.995 -16.842 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.211 -10.343 -16.723 1.00 0.00 H new ATOM 1552 N SER A 98 -2.221 -10.211 -21.742 1.00 0.00 N ATOM 1553 CA SER A 98 -3.091 -9.584 -22.729 1.00 0.00 C ATOM 1554 C SER A 98 -4.557 -9.733 -22.334 1.00 0.00 C ATOM 1555 O SER A 98 -4.910 -10.592 -21.526 1.00 0.00 O ATOM 1556 CB SER A 98 -2.859 -10.200 -24.110 1.00 0.00 C ATOM 1557 OG SER A 98 -1.541 -9.947 -24.566 1.00 0.00 O ATOM 0 H SER A 98 -2.057 -11.206 -21.896 1.00 0.00 H new ATOM 0 HA SER A 98 -2.849 -8.522 -22.767 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.032 -11.275 -24.066 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.578 -9.791 -24.820 1.00 0.00 H new ATOM 0 HG SER A 98 -1.417 -10.352 -25.450 1.00 0.00 H new ATOM 1563 N GLY A 99 -5.408 -8.889 -22.910 1.00 0.00 N ATOM 1564 CA GLY A 99 -6.826 -8.943 -22.606 1.00 0.00 C ATOM 1565 C GLY A 99 -7.661 -8.156 -23.596 1.00 0.00 C ATOM 1566 O GLY A 99 -8.015 -7.000 -23.363 1.00 0.00 O ATOM 0 H GLY A 99 -5.141 -8.169 -23.581 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.155 -9.982 -22.603 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.994 -8.553 -21.602 1.00 0.00 H new ATOM 1570 N PRO A 100 -7.989 -8.788 -24.733 1.00 0.00 N ATOM 1571 CA PRO A 100 -8.791 -8.158 -25.787 1.00 0.00 C ATOM 1572 C PRO A 100 -10.242 -7.954 -25.367 1.00 0.00 C ATOM 1573 O PRO A 100 -11.081 -8.837 -25.551 1.00 0.00 O ATOM 1574 CB PRO A 100 -8.703 -9.156 -26.944 1.00 0.00 C ATOM 1575 CG PRO A 100 -8.436 -10.469 -26.293 1.00 0.00 C ATOM 1576 CD PRO A 100 -7.602 -10.166 -25.078 1.00 0.00 C ATOM 0 HA PRO A 100 -8.426 -7.162 -26.037 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.630 -9.180 -27.517 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -7.906 -8.889 -27.637 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.367 -10.963 -26.014 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.909 -11.141 -26.971 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.813 -10.858 -24.263 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.536 -10.242 -25.293 1.00 0.00 H new ATOM 1584 N SER A 101 -10.532 -6.787 -24.802 1.00 0.00 N ATOM 1585 CA SER A 101 -11.883 -6.469 -24.353 1.00 0.00 C ATOM 1586 C SER A 101 -12.852 -6.430 -25.530 1.00 0.00 C ATOM 1587 O SER A 101 -13.850 -7.150 -25.551 1.00 0.00 O ATOM 1588 CB SER A 101 -11.897 -5.125 -23.621 1.00 0.00 C ATOM 1589 OG SER A 101 -11.225 -5.215 -22.377 1.00 0.00 O ATOM 0 H SER A 101 -9.850 -6.045 -24.644 1.00 0.00 H new ATOM 0 HA SER A 101 -12.205 -7.252 -23.666 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.421 -4.365 -24.241 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.927 -4.806 -23.459 1.00 0.00 H new ATOM 0 HG SER A 101 -11.246 -4.343 -21.930 1.00 0.00 H new ATOM 1595 N SER A 102 -12.550 -5.584 -26.509 1.00 0.00 N ATOM 1596 CA SER A 102 -13.395 -5.447 -27.690 1.00 0.00 C ATOM 1597 C SER A 102 -12.699 -6.010 -28.925 1.00 0.00 C ATOM 1598 O SER A 102 -11.649 -5.519 -29.338 1.00 0.00 O ATOM 1599 CB SER A 102 -13.755 -3.977 -27.918 1.00 0.00 C ATOM 1600 OG SER A 102 -12.593 -3.197 -28.141 1.00 0.00 O ATOM 0 H SER A 102 -11.726 -4.983 -26.508 1.00 0.00 H new ATOM 0 HA SER A 102 -14.309 -6.015 -27.520 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.424 -3.892 -28.774 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.294 -3.593 -27.052 1.00 0.00 H new ATOM 0 HG SER A 102 -11.934 -3.726 -28.636 1.00 0.00 H new ATOM 1606 N GLY A 103 -13.293 -7.045 -29.511 1.00 0.00 N ATOM 1607 CA GLY A 103 -12.717 -7.659 -30.693 1.00 0.00 C ATOM 1608 C GLY A 103 -13.772 -8.133 -31.673 1.00 0.00 C ATOM 1609 O GLY A 103 -14.538 -9.049 -31.375 1.00 0.00 O ATOM 0 H GLY A 103 -14.163 -7.469 -29.188 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.062 -6.942 -31.188 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.097 -8.504 -30.394 1.00 0.00 H new TER 1613 GLY A 103