USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 983 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 95 SER OG : rot 63:sc= 1.3 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.04! C(o=-0.74!,f=-2.7!) USER MOD Set 2.1: A 54 ASN : amide:sc= -1.47 K(o=-10,f=-11!) USER MOD Set 2.2: A 85 MET CE :methyl -150:sc= -3.8! (180deg=-3.23!) USER MOD Set 2.3: A 112 MET CE :methyl 149:sc= -4.72! (180deg=-3.6!) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= 0.982 USER MOD Set 3.2: A 43 GLN : amide:sc= 2 K(o=3,f=-5.8!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.95! C(o=-3.9!,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 28:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 100:sc= 0.722 USER MOD Single : A 26 CYS SG : rot 47:sc= -0.113 USER MOD Single : A 29 ASN : amide:sc= 0.381 K(o=0.38,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.227 K(o=-0.23,f=-6.8!) USER MOD Single : A 64 THR OG1 : rot 121:sc= 0.512 USER MOD Single : A 71 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.6) USER MOD Single : A 74 THR OG1 : rot -6:sc= 1.21 USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.0815 (180deg=-0.386) USER MOD Single : A 90 GLN : amide:sc= -0.996! K(o=-1!,f=-0.46) USER MOD Single : A 100 SER OG : rot -13:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.918 K(o=-0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -14.192 -3.403 6.556 1.00 31.53 N ATOM 51 CA ILE A 4 -13.239 -2.437 5.983 1.00 44.44 C ATOM 52 C ILE A 4 -13.585 -0.982 6.342 1.00 51.42 C ATOM 53 O ILE A 4 -14.366 -0.720 7.259 1.00 54.40 O ATOM 54 CB ILE A 4 -13.058 -2.597 4.443 1.00 41.11 C ATOM 55 CG1 ILE A 4 -14.344 -2.309 3.663 1.00 62.51 C ATOM 56 CG2 ILE A 4 -12.573 -4.003 4.122 1.00 41.12 C ATOM 57 CD1 ILE A 4 -14.147 -2.272 2.161 1.00 1.41 C ATOM 0 HA ILE A 4 -12.281 -2.675 6.446 1.00 44.44 H new ATOM 0 HB ILE A 4 -12.317 -1.861 4.132 1.00 41.11 H new ATOM 0 HG12 ILE A 4 -15.084 -3.071 3.905 1.00 62.51 H new ATOM 0 HG13 ILE A 4 -14.752 -1.353 3.991 1.00 62.51 H new ATOM 0 HG21 ILE A 4 -12.449 -4.108 3.044 1.00 41.12 H new ATOM 0 HG22 ILE A 4 -11.618 -4.180 4.616 1.00 41.12 H new ATOM 0 HG23 ILE A 4 -13.305 -4.730 4.475 1.00 41.12 H new ATOM 0 HD11 ILE A 4 -15.100 -2.063 1.674 1.00 1.41 H new ATOM 0 HD12 ILE A 4 -13.431 -1.491 1.907 1.00 1.41 H new ATOM 0 HD13 ILE A 4 -13.769 -3.236 1.820 1.00 1.41 H new ATOM 69 N ASP A 5 -12.959 -0.038 5.650 1.00 53.25 N ATOM 70 CA ASP A 5 -13.190 1.385 5.910 1.00 4.01 C ATOM 71 C ASP A 5 -13.674 2.068 4.633 1.00 51.04 C ATOM 72 O ASP A 5 -13.638 3.293 4.508 1.00 61.35 O ATOM 73 CB ASP A 5 -11.899 2.042 6.420 1.00 64.34 C ATOM 74 CG ASP A 5 -12.126 3.417 7.030 1.00 72.21 C ATOM 75 OD1 ASP A 5 -12.640 3.489 8.169 1.00 13.32 O ATOM 76 OD2 ASP A 5 -11.765 4.430 6.393 1.00 33.40 O ATOM 0 H ASP A 5 -12.288 -0.227 4.905 1.00 53.25 H new ATOM 0 HA ASP A 5 -13.957 1.493 6.677 1.00 4.01 H new ATOM 0 HB2 ASP A 5 -11.439 1.393 7.165 1.00 64.34 H new ATOM 0 HB3 ASP A 5 -11.193 2.130 5.594 1.00 64.34 H new ATOM 81 N ASP A 6 -14.141 1.243 3.696 1.00 44.42 N ATOM 82 CA ASP A 6 -14.614 1.699 2.385 1.00 11.22 C ATOM 83 C ASP A 6 -13.443 2.260 1.573 1.00 54.22 C ATOM 84 O ASP A 6 -12.289 1.915 1.833 1.00 74.50 O ATOM 85 CB ASP A 6 -15.737 2.738 2.547 1.00 14.44 C ATOM 86 CG ASP A 6 -16.595 2.878 1.305 1.00 23.53 C ATOM 87 OD1 ASP A 6 -17.581 2.123 1.171 1.00 23.13 O ATOM 88 OD2 ASP A 6 -16.290 3.735 0.454 1.00 54.20 O ATOM 0 H ASP A 6 -14.203 0.233 3.824 1.00 44.42 H new ATOM 0 HA ASP A 6 -15.029 0.851 1.840 1.00 11.22 H new ATOM 0 HB2 ASP A 6 -16.369 2.454 3.389 1.00 14.44 H new ATOM 0 HB3 ASP A 6 -15.298 3.706 2.790 1.00 14.44 H new ATOM 93 N TYR A 7 -13.740 3.084 0.574 1.00 3.32 N ATOM 94 CA TYR A 7 -12.717 3.743 -0.235 1.00 4.00 C ATOM 95 C TYR A 7 -13.361 4.833 -1.101 1.00 35.25 C ATOM 96 O TYR A 7 -13.482 4.706 -2.316 1.00 71.40 O ATOM 97 CB TYR A 7 -11.933 2.723 -1.094 1.00 72.32 C ATOM 98 CG TYR A 7 -12.769 1.928 -2.088 1.00 23.33 C ATOM 99 CD1 TYR A 7 -13.705 0.994 -1.659 1.00 41.22 C ATOM 100 CD2 TYR A 7 -12.605 2.107 -3.458 1.00 72.15 C ATOM 101 CE1 TYR A 7 -14.459 0.272 -2.563 1.00 4.44 C ATOM 102 CE2 TYR A 7 -13.356 1.389 -4.368 1.00 11.02 C ATOM 103 CZ TYR A 7 -14.279 0.473 -3.915 1.00 61.22 C ATOM 104 OH TYR A 7 -15.036 -0.240 -4.818 1.00 50.25 O ATOM 0 H TYR A 7 -14.695 3.315 0.301 1.00 3.32 H new ATOM 0 HA TYR A 7 -11.995 4.214 0.432 1.00 4.00 H new ATOM 0 HB2 TYR A 7 -11.157 3.256 -1.643 1.00 72.32 H new ATOM 0 HB3 TYR A 7 -11.429 2.023 -0.427 1.00 72.32 H new ATOM 0 HD1 TYR A 7 -13.845 0.830 -0.601 1.00 41.22 H new ATOM 0 HD2 TYR A 7 -11.877 2.820 -3.816 1.00 72.15 H new ATOM 0 HE1 TYR A 7 -15.186 -0.446 -2.213 1.00 4.44 H new ATOM 0 HE2 TYR A 7 -13.220 1.545 -5.428 1.00 11.02 H new ATOM 0 HH TYR A 7 -14.788 0.020 -5.730 1.00 50.25 H new ATOM 114 N PRO A 8 -13.804 5.930 -0.467 1.00 2.54 N ATOM 115 CA PRO A 8 -14.554 6.992 -1.143 1.00 62.02 C ATOM 116 C PRO A 8 -13.657 8.037 -1.804 1.00 12.23 C ATOM 117 O PRO A 8 -14.075 9.173 -2.031 1.00 43.23 O ATOM 118 CB PRO A 8 -15.347 7.615 0.006 1.00 31.11 C ATOM 119 CG PRO A 8 -14.457 7.484 1.194 1.00 70.23 C ATOM 120 CD PRO A 8 -13.614 6.224 0.966 1.00 2.10 C ATOM 0 HA PRO A 8 -15.163 6.607 -1.961 1.00 62.02 H new ATOM 0 HB2 PRO A 8 -15.585 8.659 -0.197 1.00 31.11 H new ATOM 0 HB3 PRO A 8 -16.293 7.097 0.161 1.00 31.11 H new ATOM 0 HG2 PRO A 8 -13.821 8.363 1.302 1.00 70.23 H new ATOM 0 HG3 PRO A 8 -15.042 7.400 2.110 1.00 70.23 H new ATOM 0 HD2 PRO A 8 -12.564 6.396 1.204 1.00 2.10 H new ATOM 0 HD3 PRO A 8 -13.951 5.398 1.592 1.00 2.10 H new ATOM 128 N GLN A 9 -12.438 7.648 -2.130 1.00 0.25 N ATOM 129 CA GLN A 9 -11.485 8.568 -2.726 1.00 0.14 C ATOM 130 C GLN A 9 -10.912 7.985 -4.012 1.00 3.23 C ATOM 131 O GLN A 9 -10.165 7.008 -3.982 1.00 64.31 O ATOM 132 CB GLN A 9 -10.361 8.878 -1.737 1.00 53.13 C ATOM 133 CG GLN A 9 -9.371 9.916 -2.238 1.00 53.22 C ATOM 134 CD GLN A 9 -8.269 10.199 -1.236 1.00 0.30 C ATOM 135 OE1 GLN A 9 -7.745 11.312 -1.171 1.00 53.03 O ATOM 136 NE2 GLN A 9 -7.886 9.189 -0.466 1.00 11.32 N ATOM 0 H GLN A 9 -12.084 6.701 -1.992 1.00 0.25 H new ATOM 0 HA GLN A 9 -12.004 9.495 -2.969 1.00 0.14 H new ATOM 0 HB2 GLN A 9 -10.799 9.229 -0.802 1.00 53.13 H new ATOM 0 HB3 GLN A 9 -9.824 7.957 -1.512 1.00 53.13 H new ATOM 0 HG2 GLN A 9 -8.928 9.570 -3.172 1.00 53.22 H new ATOM 0 HG3 GLN A 9 -9.902 10.842 -2.461 1.00 53.22 H new ATOM 0 HE21 GLN A 9 -8.345 8.282 -0.549 1.00 11.32 H new ATOM 0 HE22 GLN A 9 -7.133 9.320 0.209 1.00 11.32 H new ATOM 145 N ALA A 10 -11.273 8.586 -5.135 1.00 1.35 N ATOM 146 CA ALA A 10 -10.802 8.129 -6.436 1.00 50.35 C ATOM 147 C ALA A 10 -10.074 9.253 -7.162 1.00 51.24 C ATOM 148 O ALA A 10 -10.152 9.377 -8.384 1.00 25.10 O ATOM 149 CB ALA A 10 -11.965 7.608 -7.263 1.00 62.22 C ATOM 0 H ALA A 10 -11.893 9.395 -5.173 1.00 1.35 H new ATOM 0 HA ALA A 10 -10.097 7.311 -6.288 1.00 50.35 H new ATOM 0 HB1 ALA A 10 -11.599 7.270 -8.233 1.00 62.22 H new ATOM 0 HB2 ALA A 10 -12.437 6.775 -6.742 1.00 62.22 H new ATOM 0 HB3 ALA A 10 -12.694 8.405 -7.408 1.00 62.22 H new ATOM 155 N LYS A 11 -9.368 10.069 -6.394 1.00 71.23 N ATOM 156 CA LYS A 11 -8.573 11.154 -6.949 1.00 3.42 C ATOM 157 C LYS A 11 -7.299 10.573 -7.526 1.00 2.11 C ATOM 158 O LYS A 11 -6.615 9.830 -6.844 1.00 15.00 O ATOM 159 CB LYS A 11 -8.268 12.179 -5.850 1.00 70.21 C ATOM 160 CG LYS A 11 -7.491 13.397 -6.327 1.00 60.15 C ATOM 161 CD LYS A 11 -7.358 14.446 -5.230 1.00 15.21 C ATOM 162 CE LYS A 11 -6.621 13.907 -4.015 1.00 3.41 C ATOM 163 NZ LYS A 11 -6.534 14.907 -2.923 1.00 43.34 N ATOM 0 H LYS A 11 -9.330 9.999 -5.377 1.00 71.23 H new ATOM 0 HA LYS A 11 -9.119 11.664 -7.742 1.00 3.42 H new ATOM 0 HB2 LYS A 11 -9.208 12.512 -5.409 1.00 70.21 H new ATOM 0 HB3 LYS A 11 -7.701 11.688 -5.059 1.00 70.21 H new ATOM 0 HG2 LYS A 11 -6.499 13.089 -6.658 1.00 60.15 H new ATOM 0 HG3 LYS A 11 -7.994 13.834 -7.190 1.00 60.15 H new ATOM 0 HD2 LYS A 11 -6.827 15.314 -5.621 1.00 15.21 H new ATOM 0 HD3 LYS A 11 -8.349 14.786 -4.931 1.00 15.21 H new ATOM 0 HE2 LYS A 11 -7.130 13.016 -3.649 1.00 3.41 H new ATOM 0 HE3 LYS A 11 -5.616 13.602 -4.307 1.00 3.41 H new ATOM 0 HZ1 LYS A 11 -6.024 14.496 -2.116 1.00 43.34 H new ATOM 0 HZ2 LYS A 11 -6.025 15.748 -3.262 1.00 43.34 H new ATOM 0 HZ3 LYS A 11 -7.492 15.179 -2.624 1.00 43.34 H new ATOM 177 N ARG A 12 -6.997 10.879 -8.780 1.00 22.32 N ATOM 178 CA ARG A 12 -5.869 10.245 -9.454 1.00 5.32 C ATOM 179 C ARG A 12 -4.702 11.209 -9.665 1.00 51.23 C ATOM 180 O ARG A 12 -3.576 10.914 -9.277 1.00 42.42 O ATOM 181 CB ARG A 12 -6.301 9.631 -10.799 1.00 52.22 C ATOM 182 CG ARG A 12 -7.038 10.594 -11.718 1.00 4.01 C ATOM 183 CD ARG A 12 -7.166 10.051 -13.136 1.00 21.04 C ATOM 184 NE ARG A 12 -7.916 8.796 -13.193 1.00 71.22 N ATOM 185 CZ ARG A 12 -9.089 8.661 -13.813 1.00 63.52 C ATOM 186 NH1 ARG A 12 -9.646 9.706 -14.411 1.00 5.32 N ATOM 187 NH2 ARG A 12 -9.694 7.480 -13.851 1.00 64.12 N ATOM 0 H ARG A 12 -7.510 11.554 -9.347 1.00 22.32 H new ATOM 0 HA ARG A 12 -5.522 9.447 -8.797 1.00 5.32 H new ATOM 0 HB2 ARG A 12 -5.417 9.259 -11.316 1.00 52.22 H new ATOM 0 HB3 ARG A 12 -6.942 8.771 -10.604 1.00 52.22 H new ATOM 0 HG2 ARG A 12 -8.031 10.790 -11.315 1.00 4.01 H new ATOM 0 HG3 ARG A 12 -6.510 11.547 -11.742 1.00 4.01 H new ATOM 0 HD2 ARG A 12 -7.660 10.794 -13.762 1.00 21.04 H new ATOM 0 HD3 ARG A 12 -6.171 9.894 -13.552 1.00 21.04 H new ATOM 0 HE ARG A 12 -7.519 7.977 -12.732 1.00 71.22 H new ATOM 0 HH11 ARG A 12 -9.177 10.612 -14.396 1.00 5.32 H new ATOM 0 HH12 ARG A 12 -10.543 9.604 -14.885 1.00 5.32 H new ATOM 0 HH21 ARG A 12 -9.262 6.671 -13.405 1.00 64.12 H new ATOM 0 HH22 ARG A 12 -10.591 7.382 -14.326 1.00 64.12 H new ATOM 201 N VAL A 13 -4.972 12.368 -10.249 1.00 71.23 N ATOM 202 CA VAL A 13 -3.899 13.267 -10.659 1.00 32.40 C ATOM 203 C VAL A 13 -3.233 13.972 -9.468 1.00 64.20 C ATOM 204 O VAL A 13 -2.018 13.870 -9.305 1.00 70.45 O ATOM 205 CB VAL A 13 -4.376 14.310 -11.695 1.00 20.30 C ATOM 206 CG1 VAL A 13 -3.228 15.201 -12.142 1.00 41.44 C ATOM 207 CG2 VAL A 13 -5.009 13.614 -12.889 1.00 12.22 C ATOM 0 H VAL A 13 -5.913 12.707 -10.449 1.00 71.23 H new ATOM 0 HA VAL A 13 -3.150 12.632 -11.133 1.00 32.40 H new ATOM 0 HB VAL A 13 -5.126 14.943 -11.221 1.00 20.30 H new ATOM 0 HG11 VAL A 13 -3.592 15.925 -12.871 1.00 41.44 H new ATOM 0 HG12 VAL A 13 -2.819 15.728 -11.280 1.00 41.44 H new ATOM 0 HG13 VAL A 13 -2.449 14.590 -12.597 1.00 41.44 H new ATOM 0 HG21 VAL A 13 -5.341 14.360 -13.611 1.00 12.22 H new ATOM 0 HG22 VAL A 13 -4.277 12.956 -13.357 1.00 12.22 H new ATOM 0 HG23 VAL A 13 -5.864 13.026 -12.556 1.00 12.22 H new ATOM 217 N PRO A 14 -3.992 14.686 -8.613 1.00 14.54 N ATOM 218 CA PRO A 14 -3.417 15.430 -7.500 1.00 52.41 C ATOM 219 C PRO A 14 -3.396 14.637 -6.192 1.00 41.43 C ATOM 220 O PRO A 14 -3.597 15.196 -5.114 1.00 42.50 O ATOM 221 CB PRO A 14 -4.352 16.638 -7.385 1.00 64.22 C ATOM 222 CG PRO A 14 -5.676 16.187 -7.922 1.00 4.12 C ATOM 223 CD PRO A 14 -5.451 14.855 -8.648 1.00 50.03 C ATOM 0 HA PRO A 14 -2.372 15.684 -7.675 1.00 52.41 H new ATOM 0 HB2 PRO A 14 -4.442 16.965 -6.349 1.00 64.22 H new ATOM 0 HB3 PRO A 14 -3.968 17.485 -7.954 1.00 64.22 H new ATOM 0 HG2 PRO A 14 -6.396 16.066 -7.113 1.00 4.12 H new ATOM 0 HG3 PRO A 14 -6.086 16.931 -8.605 1.00 4.12 H new ATOM 0 HD2 PRO A 14 -5.962 14.033 -8.146 1.00 50.03 H new ATOM 0 HD3 PRO A 14 -5.827 14.887 -9.671 1.00 50.03 H new ATOM 231 N GLY A 15 -3.151 13.337 -6.285 1.00 21.04 N ATOM 232 CA GLY A 15 -2.985 12.544 -5.083 1.00 42.35 C ATOM 233 C GLY A 15 -3.935 11.368 -4.987 1.00 25.51 C ATOM 234 O GLY A 15 -4.974 11.449 -4.333 1.00 12.35 O ATOM 0 H GLY A 15 -3.065 12.822 -7.161 1.00 21.04 H new ATOM 0 HA2 GLY A 15 -1.960 12.175 -5.042 1.00 42.35 H new ATOM 0 HA3 GLY A 15 -3.128 13.186 -4.214 1.00 42.35 H new ATOM 238 N LEU A 16 -3.580 10.278 -5.639 1.00 34.32 N ATOM 239 CA LEU A 16 -4.305 9.030 -5.486 1.00 73.33 C ATOM 240 C LEU A 16 -3.783 8.291 -4.266 1.00 21.33 C ATOM 241 O LEU A 16 -2.582 8.137 -4.093 1.00 24.32 O ATOM 242 CB LEU A 16 -4.170 8.168 -6.754 1.00 4.13 C ATOM 243 CG LEU A 16 -4.566 6.691 -6.610 1.00 42.01 C ATOM 244 CD1 LEU A 16 -5.980 6.555 -6.084 1.00 73.05 C ATOM 245 CD2 LEU A 16 -4.421 5.973 -7.941 1.00 55.13 C ATOM 0 H LEU A 16 -2.790 10.231 -6.283 1.00 34.32 H new ATOM 0 HA LEU A 16 -5.364 9.242 -5.343 1.00 73.33 H new ATOM 0 HB2 LEU A 16 -4.782 8.613 -7.538 1.00 4.13 H new ATOM 0 HB3 LEU A 16 -3.135 8.215 -7.092 1.00 4.13 H new ATOM 0 HG LEU A 16 -3.893 6.228 -5.888 1.00 42.01 H new ATOM 0 HD11 LEU A 16 -6.234 5.499 -5.992 1.00 73.05 H new ATOM 0 HD12 LEU A 16 -6.052 7.032 -5.107 1.00 73.05 H new ATOM 0 HD13 LEU A 16 -6.673 7.036 -6.774 1.00 73.05 H new ATOM 0 HD21 LEU A 16 -4.705 4.927 -7.823 1.00 55.13 H new ATOM 0 HD22 LEU A 16 -5.068 6.444 -8.681 1.00 55.13 H new ATOM 0 HD23 LEU A 16 -3.385 6.032 -8.275 1.00 55.13 H new ATOM 257 N VAL A 17 -4.681 7.863 -3.406 1.00 51.11 N ATOM 258 CA VAL A 17 -4.288 7.161 -2.206 1.00 61.45 C ATOM 259 C VAL A 17 -5.366 6.189 -1.752 1.00 41.04 C ATOM 260 O VAL A 17 -6.516 6.568 -1.514 1.00 34.01 O ATOM 261 CB VAL A 17 -3.914 8.139 -1.064 1.00 43.44 C ATOM 262 CG1 VAL A 17 -4.761 9.400 -1.124 1.00 40.11 C ATOM 263 CG2 VAL A 17 -4.043 7.471 0.298 1.00 71.42 C ATOM 0 H VAL A 17 -5.687 7.989 -3.516 1.00 51.11 H new ATOM 0 HA VAL A 17 -3.396 6.585 -2.453 1.00 61.45 H new ATOM 0 HB VAL A 17 -2.871 8.423 -1.203 1.00 43.44 H new ATOM 0 HG11 VAL A 17 -4.477 10.068 -0.311 1.00 40.11 H new ATOM 0 HG12 VAL A 17 -4.600 9.901 -2.078 1.00 40.11 H new ATOM 0 HG13 VAL A 17 -5.814 9.136 -1.026 1.00 40.11 H new ATOM 0 HG21 VAL A 17 -3.774 8.182 1.079 1.00 71.42 H new ATOM 0 HG22 VAL A 17 -5.071 7.142 0.446 1.00 71.42 H new ATOM 0 HG23 VAL A 17 -3.376 6.610 0.346 1.00 71.42 H new ATOM 273 N VAL A 18 -4.981 4.929 -1.660 1.00 23.55 N ATOM 274 CA VAL A 18 -5.879 3.882 -1.198 1.00 21.40 C ATOM 275 C VAL A 18 -5.314 3.250 0.062 1.00 44.03 C ATOM 276 O VAL A 18 -4.152 2.837 0.090 1.00 62.13 O ATOM 277 CB VAL A 18 -6.093 2.795 -2.275 1.00 40.42 C ATOM 278 CG1 VAL A 18 -7.051 1.717 -1.781 1.00 72.42 C ATOM 279 CG2 VAL A 18 -6.605 3.410 -3.569 1.00 14.21 C ATOM 0 H VAL A 18 -4.045 4.603 -1.901 1.00 23.55 H new ATOM 0 HA VAL A 18 -6.847 4.337 -0.988 1.00 21.40 H new ATOM 0 HB VAL A 18 -5.129 2.328 -2.474 1.00 40.42 H new ATOM 0 HG11 VAL A 18 -7.184 0.965 -2.558 1.00 72.42 H new ATOM 0 HG12 VAL A 18 -6.640 1.247 -0.887 1.00 72.42 H new ATOM 0 HG13 VAL A 18 -8.015 2.168 -1.544 1.00 72.42 H new ATOM 0 HG21 VAL A 18 -6.748 2.626 -4.313 1.00 14.21 H new ATOM 0 HG22 VAL A 18 -7.555 3.911 -3.383 1.00 14.21 H new ATOM 0 HG23 VAL A 18 -5.879 4.134 -3.940 1.00 14.21 H new ATOM 289 N TYR A 19 -6.121 3.188 1.108 1.00 22.30 N ATOM 290 CA TYR A 19 -5.654 2.696 2.390 1.00 70.13 C ATOM 291 C TYR A 19 -5.921 1.205 2.569 1.00 73.24 C ATOM 292 O TYR A 19 -6.719 0.603 1.847 1.00 53.43 O ATOM 293 CB TYR A 19 -6.267 3.497 3.549 1.00 74.34 C ATOM 294 CG TYR A 19 -7.743 3.785 3.403 1.00 1.14 C ATOM 295 CD1 TYR A 19 -8.695 2.812 3.674 1.00 3.34 C ATOM 296 CD2 TYR A 19 -8.182 5.041 2.999 1.00 50.55 C ATOM 297 CE1 TYR A 19 -10.041 3.081 3.543 1.00 1.22 C ATOM 298 CE2 TYR A 19 -9.526 5.317 2.865 1.00 43.54 C ATOM 299 CZ TYR A 19 -10.451 4.334 3.138 1.00 2.11 C ATOM 300 OH TYR A 19 -11.792 4.604 3.010 1.00 13.33 O ATOM 0 H TYR A 19 -7.101 3.472 1.093 1.00 22.30 H new ATOM 0 HA TYR A 19 -4.573 2.837 2.405 1.00 70.13 H new ATOM 0 HB2 TYR A 19 -6.107 2.948 4.477 1.00 74.34 H new ATOM 0 HB3 TYR A 19 -5.733 4.443 3.642 1.00 74.34 H new ATOM 0 HD1 TYR A 19 -8.377 1.830 3.992 1.00 3.34 H new ATOM 0 HD2 TYR A 19 -7.458 5.813 2.787 1.00 50.55 H new ATOM 0 HE1 TYR A 19 -10.771 2.314 3.757 1.00 1.22 H new ATOM 0 HE2 TYR A 19 -9.851 6.297 2.548 1.00 43.54 H new ATOM 0 HH TYR A 19 -12.300 4.035 3.625 1.00 13.33 H new ATOM 310 N ARG A 20 -5.212 0.625 3.526 1.00 71.13 N ATOM 311 CA ARG A 20 -5.341 -0.784 3.867 1.00 65.34 C ATOM 312 C ARG A 20 -6.768 -1.090 4.316 1.00 43.10 C ATOM 313 O ARG A 20 -7.370 -0.322 5.062 1.00 53.03 O ATOM 314 CB ARG A 20 -4.354 -1.131 4.984 1.00 42.41 C ATOM 315 CG ARG A 20 -2.930 -0.667 4.712 1.00 23.14 C ATOM 316 CD ARG A 20 -2.081 -1.743 4.054 1.00 41.34 C ATOM 317 NE ARG A 20 -1.368 -2.561 5.043 1.00 35.22 N ATOM 318 CZ ARG A 20 -1.103 -3.864 4.904 1.00 43.12 C ATOM 319 NH1 ARG A 20 -1.524 -4.524 3.834 1.00 30.25 N ATOM 320 NH2 ARG A 20 -0.404 -4.500 5.836 1.00 22.25 N ATOM 0 H ARG A 20 -4.525 1.123 4.092 1.00 71.13 H new ATOM 0 HA ARG A 20 -5.117 -1.387 2.987 1.00 65.34 H new ATOM 0 HB2 ARG A 20 -4.701 -0.682 5.915 1.00 42.41 H new ATOM 0 HB3 ARG A 20 -4.352 -2.211 5.132 1.00 42.41 H new ATOM 0 HG2 ARG A 20 -2.955 0.214 4.071 1.00 23.14 H new ATOM 0 HG3 ARG A 20 -2.465 -0.365 5.650 1.00 23.14 H new ATOM 0 HD2 ARG A 20 -2.717 -2.384 3.444 1.00 41.34 H new ATOM 0 HD3 ARG A 20 -1.361 -1.276 3.382 1.00 41.34 H new ATOM 0 HE ARG A 20 -1.052 -2.102 5.897 1.00 35.22 H new ATOM 0 HH11 ARG A 20 -2.054 -4.038 3.110 1.00 30.25 H new ATOM 0 HH12 ARG A 20 -1.318 -5.518 3.734 1.00 30.25 H new ATOM 0 HH21 ARG A 20 -0.070 -3.995 6.657 1.00 22.25 H new ATOM 0 HH22 ARG A 20 -0.201 -5.494 5.732 1.00 22.25 H new ATOM 334 N TYR A 21 -7.298 -2.211 3.865 1.00 0.20 N ATOM 335 CA TYR A 21 -8.673 -2.577 4.168 1.00 60.11 C ATOM 336 C TYR A 21 -8.742 -3.311 5.500 1.00 73.13 C ATOM 337 O TYR A 21 -7.962 -4.229 5.741 1.00 21.14 O ATOM 338 CB TYR A 21 -9.234 -3.473 3.059 1.00 41.10 C ATOM 339 CG TYR A 21 -8.783 -3.078 1.672 1.00 54.14 C ATOM 340 CD1 TYR A 21 -9.452 -2.100 0.944 1.00 5.23 C ATOM 341 CD2 TYR A 21 -7.680 -3.689 1.092 1.00 14.54 C ATOM 342 CE1 TYR A 21 -9.028 -1.747 -0.325 1.00 20.52 C ATOM 343 CE2 TYR A 21 -7.253 -3.342 -0.169 1.00 22.42 C ATOM 344 CZ TYR A 21 -7.928 -2.373 -0.876 1.00 23.10 C ATOM 345 OH TYR A 21 -7.496 -2.035 -2.139 1.00 2.33 O ATOM 0 H TYR A 21 -6.798 -2.886 3.287 1.00 0.20 H new ATOM 0 HA TYR A 21 -9.269 -1.667 4.232 1.00 60.11 H new ATOM 0 HB2 TYR A 21 -8.933 -4.503 3.250 1.00 41.10 H new ATOM 0 HB3 TYR A 21 -10.323 -3.446 3.099 1.00 41.10 H new ATOM 0 HD1 TYR A 21 -10.313 -1.610 1.374 1.00 5.23 H new ATOM 0 HD2 TYR A 21 -7.147 -4.451 1.641 1.00 14.54 H new ATOM 0 HE1 TYR A 21 -9.555 -0.986 -0.881 1.00 20.52 H new ATOM 0 HE2 TYR A 21 -6.391 -3.828 -0.602 1.00 22.42 H new ATOM 0 HH TYR A 21 -6.734 -1.423 -2.071 1.00 2.33 H new ATOM 355 N ASP A 22 -9.662 -2.896 6.366 1.00 54.01 N ATOM 356 CA ASP A 22 -9.880 -3.584 7.635 1.00 71.41 C ATOM 357 C ASP A 22 -10.628 -4.894 7.402 1.00 12.23 C ATOM 358 O ASP A 22 -11.847 -4.978 7.575 1.00 70.53 O ATOM 359 CB ASP A 22 -10.646 -2.692 8.622 1.00 51.21 C ATOM 360 CG ASP A 22 -11.023 -3.412 9.910 1.00 43.11 C ATOM 361 OD1 ASP A 22 -10.119 -3.887 10.629 1.00 63.33 O ATOM 362 OD2 ASP A 22 -12.233 -3.483 10.222 1.00 44.13 O ATOM 0 H ASP A 22 -10.267 -2.089 6.213 1.00 54.01 H new ATOM 0 HA ASP A 22 -8.908 -3.809 8.074 1.00 71.41 H new ATOM 0 HB2 ASP A 22 -10.036 -1.822 8.865 1.00 51.21 H new ATOM 0 HB3 ASP A 22 -11.552 -2.323 8.141 1.00 51.21 H new ATOM 367 N ALA A 23 -9.887 -5.890 6.937 1.00 21.14 N ATOM 368 CA ALA A 23 -10.429 -7.213 6.686 1.00 73.24 C ATOM 369 C ALA A 23 -9.323 -8.215 6.426 1.00 64.15 C ATOM 370 O ALA A 23 -8.482 -7.998 5.555 1.00 52.42 O ATOM 371 CB ALA A 23 -11.352 -7.183 5.486 1.00 74.13 C ATOM 0 H ALA A 23 -8.893 -5.801 6.724 1.00 21.14 H new ATOM 0 HA ALA A 23 -10.983 -7.516 7.574 1.00 73.24 H new ATOM 0 HB1 ALA A 23 -11.751 -8.182 5.309 1.00 74.13 H new ATOM 0 HB2 ALA A 23 -12.173 -6.492 5.676 1.00 74.13 H new ATOM 0 HB3 ALA A 23 -10.797 -6.854 4.608 1.00 74.13 H new ATOM 377 N PRO A 24 -9.304 -9.321 7.180 1.00 52.54 N ATOM 378 CA PRO A 24 -8.368 -10.425 6.954 1.00 42.45 C ATOM 379 C PRO A 24 -8.616 -11.136 5.628 1.00 34.02 C ATOM 380 O PRO A 24 -9.189 -12.226 5.589 1.00 20.10 O ATOM 381 CB PRO A 24 -8.623 -11.386 8.126 1.00 3.11 C ATOM 382 CG PRO A 24 -9.332 -10.565 9.144 1.00 2.35 C ATOM 383 CD PRO A 24 -10.165 -9.571 8.342 1.00 53.34 C ATOM 0 HA PRO A 24 -7.340 -10.066 6.904 1.00 42.45 H new ATOM 0 HB2 PRO A 24 -9.227 -12.238 7.814 1.00 3.11 H new ATOM 0 HB3 PRO A 24 -7.689 -11.785 8.521 1.00 3.11 H new ATOM 0 HG2 PRO A 24 -9.963 -11.185 9.781 1.00 2.35 H new ATOM 0 HG3 PRO A 24 -8.627 -10.052 9.797 1.00 2.35 H new ATOM 0 HD2 PRO A 24 -11.130 -9.987 8.053 1.00 53.34 H new ATOM 0 HD3 PRO A 24 -10.366 -8.659 8.905 1.00 53.34 H new ATOM 391 N LEU A 25 -8.205 -10.508 4.534 1.00 24.12 N ATOM 392 CA LEU A 25 -8.292 -11.143 3.231 1.00 34.33 C ATOM 393 C LEU A 25 -7.155 -12.144 3.076 1.00 62.13 C ATOM 394 O LEU A 25 -7.164 -12.975 2.162 1.00 32.14 O ATOM 395 CB LEU A 25 -8.338 -10.109 2.066 1.00 11.20 C ATOM 396 CG LEU A 25 -7.101 -9.214 1.772 1.00 33.13 C ATOM 397 CD1 LEU A 25 -6.655 -8.418 2.985 1.00 54.42 C ATOM 398 CD2 LEU A 25 -5.943 -10.018 1.201 1.00 50.33 C ATOM 0 H LEU A 25 -7.811 -9.567 4.525 1.00 24.12 H new ATOM 0 HA LEU A 25 -9.237 -11.682 3.173 1.00 34.33 H new ATOM 0 HB2 LEU A 25 -8.564 -10.659 1.153 1.00 11.20 H new ATOM 0 HB3 LEU A 25 -9.181 -9.445 2.255 1.00 11.20 H new ATOM 0 HG LEU A 25 -7.422 -8.498 1.015 1.00 33.13 H new ATOM 0 HD11 LEU A 25 -5.788 -7.811 2.723 1.00 54.42 H new ATOM 0 HD12 LEU A 25 -7.467 -7.769 3.313 1.00 54.42 H new ATOM 0 HD13 LEU A 25 -6.389 -9.102 3.791 1.00 54.42 H new ATOM 0 HD21 LEU A 25 -5.099 -9.355 1.010 1.00 50.33 H new ATOM 0 HD22 LEU A 25 -5.646 -10.786 1.915 1.00 50.33 H new ATOM 0 HD23 LEU A 25 -6.252 -10.490 0.268 1.00 50.33 H new ATOM 410 N CYS A 26 -6.186 -12.051 3.997 1.00 2.14 N ATOM 411 CA CYS A 26 -5.053 -12.971 4.060 1.00 34.20 C ATOM 412 C CYS A 26 -4.170 -12.811 2.830 1.00 45.11 C ATOM 413 O CYS A 26 -3.136 -12.134 2.893 1.00 35.40 O ATOM 414 CB CYS A 26 -5.544 -14.416 4.200 1.00 62.30 C ATOM 415 SG CYS A 26 -6.715 -14.662 5.559 1.00 41.13 S ATOM 0 H CYS A 26 -6.170 -11.331 4.720 1.00 2.14 H new ATOM 0 HA CYS A 26 -4.456 -12.730 4.939 1.00 34.20 H new ATOM 0 HB2 CYS A 26 -6.016 -14.721 3.266 1.00 62.30 H new ATOM 0 HB3 CYS A 26 -4.684 -15.069 4.351 1.00 62.30 H new ATOM 0 HG CYS A 26 -7.617 -13.727 5.529 1.00 41.13 H new ATOM 421 N PHE A 27 -4.586 -13.441 1.728 1.00 12.54 N ATOM 422 CA PHE A 27 -3.994 -13.235 0.406 1.00 3.30 C ATOM 423 C PHE A 27 -4.659 -14.148 -0.624 1.00 61.22 C ATOM 424 O PHE A 27 -4.130 -14.347 -1.717 1.00 4.15 O ATOM 425 CB PHE A 27 -2.478 -13.474 0.403 1.00 71.42 C ATOM 426 CG PHE A 27 -2.064 -14.911 0.597 1.00 52.20 C ATOM 427 CD1 PHE A 27 -2.311 -15.571 1.793 1.00 72.01 C ATOM 428 CD2 PHE A 27 -1.424 -15.599 -0.421 1.00 50.53 C ATOM 429 CE1 PHE A 27 -1.924 -16.888 1.965 1.00 5.43 C ATOM 430 CE2 PHE A 27 -1.035 -16.913 -0.252 1.00 43.44 C ATOM 431 CZ PHE A 27 -1.287 -17.559 0.942 1.00 53.12 C ATOM 0 H PHE A 27 -5.351 -14.115 1.730 1.00 12.54 H new ATOM 0 HA PHE A 27 -4.167 -12.192 0.140 1.00 3.30 H new ATOM 0 HB2 PHE A 27 -2.070 -13.118 -0.543 1.00 71.42 H new ATOM 0 HB3 PHE A 27 -2.028 -12.871 1.192 1.00 71.42 H new ATOM 0 HD1 PHE A 27 -2.810 -15.051 2.597 1.00 72.01 H new ATOM 0 HD2 PHE A 27 -1.227 -15.101 -1.359 1.00 50.53 H new ATOM 0 HE1 PHE A 27 -2.121 -17.391 2.900 1.00 5.43 H new ATOM 0 HE2 PHE A 27 -0.534 -17.435 -1.053 1.00 43.44 H new ATOM 0 HZ PHE A 27 -0.986 -18.588 1.075 1.00 53.12 H new ATOM 441 N ALA A 28 -5.850 -14.646 -0.285 1.00 32.41 N ATOM 442 CA ALA A 28 -6.534 -15.662 -1.090 1.00 61.23 C ATOM 443 C ALA A 28 -6.649 -15.248 -2.552 1.00 52.55 C ATOM 444 O ALA A 28 -6.092 -15.897 -3.436 1.00 13.01 O ATOM 445 CB ALA A 28 -7.911 -15.941 -0.512 1.00 52.21 C ATOM 0 H ALA A 28 -6.365 -14.360 0.548 1.00 32.41 H new ATOM 0 HA ALA A 28 -5.934 -16.572 -1.055 1.00 61.23 H new ATOM 0 HB1 ALA A 28 -8.413 -16.697 -1.116 1.00 52.21 H new ATOM 0 HB2 ALA A 28 -7.810 -16.303 0.511 1.00 52.21 H new ATOM 0 HB3 ALA A 28 -8.500 -15.024 -0.516 1.00 52.21 H new ATOM 451 N ASN A 29 -7.362 -14.169 -2.801 1.00 74.24 N ATOM 452 CA ASN A 29 -7.498 -13.637 -4.148 1.00 34.22 C ATOM 453 C ASN A 29 -6.686 -12.361 -4.276 1.00 4.10 C ATOM 454 O ASN A 29 -6.840 -11.607 -5.232 1.00 53.52 O ATOM 455 CB ASN A 29 -8.975 -13.355 -4.477 1.00 15.24 C ATOM 456 CG ASN A 29 -9.602 -12.308 -3.565 1.00 65.30 C ATOM 457 OD1 ASN A 29 -9.232 -12.177 -2.397 1.00 15.21 O ATOM 458 ND2 ASN A 29 -10.559 -11.555 -4.090 1.00 40.44 N ATOM 0 H ASN A 29 -7.860 -13.638 -2.086 1.00 74.24 H new ATOM 0 HA ASN A 29 -7.125 -14.378 -4.855 1.00 34.22 H new ATOM 0 HB2 ASN A 29 -9.053 -13.020 -5.511 1.00 15.24 H new ATOM 0 HB3 ASN A 29 -9.542 -14.283 -4.398 1.00 15.24 H new ATOM 0 HD21 ASN A 29 -11.014 -10.840 -3.523 1.00 40.44 H new ATOM 0 HD22 ASN A 29 -10.840 -11.691 -5.061 1.00 40.44 H new ATOM 465 N ALA A 30 -5.788 -12.153 -3.321 1.00 2.22 N ATOM 466 CA ALA A 30 -5.100 -10.880 -3.187 1.00 55.41 C ATOM 467 C ALA A 30 -4.216 -10.567 -4.381 1.00 53.12 C ATOM 468 O ALA A 30 -4.216 -9.444 -4.856 1.00 63.03 O ATOM 469 CB ALA A 30 -4.279 -10.845 -1.916 1.00 52.01 C ATOM 0 H ALA A 30 -5.521 -12.852 -2.628 1.00 2.22 H new ATOM 0 HA ALA A 30 -5.873 -10.113 -3.141 1.00 55.41 H new ATOM 0 HB1 ALA A 30 -3.773 -9.883 -1.836 1.00 52.01 H new ATOM 0 HB2 ALA A 30 -4.934 -10.983 -1.056 1.00 52.01 H new ATOM 0 HB3 ALA A 30 -3.538 -11.644 -1.939 1.00 52.01 H new ATOM 475 N GLU A 31 -3.471 -11.549 -4.866 1.00 31.23 N ATOM 476 CA GLU A 31 -2.511 -11.304 -5.937 1.00 43.53 C ATOM 477 C GLU A 31 -3.222 -10.944 -7.240 1.00 72.43 C ATOM 478 O GLU A 31 -2.976 -9.881 -7.823 1.00 61.33 O ATOM 479 CB GLU A 31 -1.617 -12.525 -6.147 1.00 12.23 C ATOM 480 CG GLU A 31 -0.534 -12.296 -7.191 1.00 3.42 C ATOM 481 CD GLU A 31 0.273 -13.539 -7.487 1.00 13.14 C ATOM 482 OE1 GLU A 31 -0.266 -14.462 -8.136 1.00 24.22 O ATOM 483 OE2 GLU A 31 1.454 -13.596 -7.088 1.00 21.24 O ATOM 0 H GLU A 31 -3.510 -12.515 -4.540 1.00 31.23 H new ATOM 0 HA GLU A 31 -1.889 -10.459 -5.641 1.00 43.53 H new ATOM 0 HB2 GLU A 31 -1.150 -12.794 -5.200 1.00 12.23 H new ATOM 0 HB3 GLU A 31 -2.233 -13.372 -6.450 1.00 12.23 H new ATOM 0 HG2 GLU A 31 -0.995 -11.941 -8.113 1.00 3.42 H new ATOM 0 HG3 GLU A 31 0.136 -11.509 -6.845 1.00 3.42 H new ATOM 490 N ASP A 32 -4.108 -11.833 -7.677 1.00 34.00 N ATOM 491 CA ASP A 32 -4.845 -11.649 -8.927 1.00 30.22 C ATOM 492 C ASP A 32 -5.661 -10.360 -8.891 1.00 14.52 C ATOM 493 O ASP A 32 -5.646 -9.566 -9.837 1.00 52.33 O ATOM 494 CB ASP A 32 -5.761 -12.858 -9.168 1.00 61.21 C ATOM 495 CG ASP A 32 -6.572 -12.751 -10.448 1.00 41.23 C ATOM 496 OD1 ASP A 32 -5.996 -12.943 -11.543 1.00 72.23 O ATOM 497 OD2 ASP A 32 -7.796 -12.514 -10.360 1.00 55.24 O ATOM 0 H ASP A 32 -4.336 -12.695 -7.181 1.00 34.00 H new ATOM 0 HA ASP A 32 -4.132 -11.571 -9.747 1.00 30.22 H new ATOM 0 HB2 ASP A 32 -5.155 -13.763 -9.205 1.00 61.21 H new ATOM 0 HB3 ASP A 32 -6.441 -12.964 -8.323 1.00 61.21 H new ATOM 502 N PHE A 33 -6.345 -10.143 -7.777 1.00 41.22 N ATOM 503 CA PHE A 33 -7.176 -8.962 -7.602 1.00 21.25 C ATOM 504 C PHE A 33 -6.328 -7.691 -7.500 1.00 2.05 C ATOM 505 O PHE A 33 -6.693 -6.651 -8.056 1.00 42.42 O ATOM 506 CB PHE A 33 -8.072 -9.142 -6.365 1.00 72.12 C ATOM 507 CG PHE A 33 -8.098 -7.963 -5.427 1.00 54.02 C ATOM 508 CD1 PHE A 33 -8.878 -6.852 -5.711 1.00 10.33 C ATOM 509 CD2 PHE A 33 -7.330 -7.964 -4.266 1.00 32.10 C ATOM 510 CE1 PHE A 33 -8.899 -5.766 -4.862 1.00 14.42 C ATOM 511 CE2 PHE A 33 -7.349 -6.875 -3.416 1.00 12.21 C ATOM 512 CZ PHE A 33 -8.132 -5.778 -3.717 1.00 1.31 C ATOM 0 H PHE A 33 -6.340 -10.775 -6.976 1.00 41.22 H new ATOM 0 HA PHE A 33 -7.811 -8.846 -8.480 1.00 21.25 H new ATOM 0 HB2 PHE A 33 -9.090 -9.346 -6.698 1.00 72.12 H new ATOM 0 HB3 PHE A 33 -7.734 -10.020 -5.814 1.00 72.12 H new ATOM 0 HD1 PHE A 33 -9.477 -6.837 -6.609 1.00 10.33 H new ATOM 0 HD2 PHE A 33 -6.716 -8.820 -4.029 1.00 32.10 H new ATOM 0 HE1 PHE A 33 -9.514 -4.909 -5.093 1.00 14.42 H new ATOM 0 HE2 PHE A 33 -6.752 -6.882 -2.516 1.00 12.21 H new ATOM 0 HZ PHE A 33 -8.143 -4.926 -3.053 1.00 1.31 H new ATOM 522 N ARG A 34 -5.194 -7.775 -6.808 1.00 44.51 N ATOM 523 CA ARG A 34 -4.358 -6.601 -6.574 1.00 62.42 C ATOM 524 C ARG A 34 -3.836 -6.037 -7.882 1.00 73.33 C ATOM 525 O ARG A 34 -3.909 -4.827 -8.113 1.00 31.22 O ATOM 526 CB ARG A 34 -3.179 -6.925 -5.657 1.00 75.23 C ATOM 527 CG ARG A 34 -2.328 -5.714 -5.308 1.00 52.20 C ATOM 528 CD ARG A 34 -3.116 -4.688 -4.507 1.00 4.42 C ATOM 529 NE ARG A 34 -3.648 -5.242 -3.262 1.00 44.13 N ATOM 530 CZ ARG A 34 -4.679 -4.720 -2.598 1.00 34.42 C ATOM 531 NH1 ARG A 34 -5.294 -3.634 -3.061 1.00 14.24 N ATOM 532 NH2 ARG A 34 -5.094 -5.288 -1.469 1.00 70.33 N ATOM 0 H ARG A 34 -4.835 -8.639 -6.402 1.00 44.51 H new ATOM 0 HA ARG A 34 -4.986 -5.856 -6.085 1.00 62.42 H new ATOM 0 HB2 ARG A 34 -3.557 -7.370 -4.737 1.00 75.23 H new ATOM 0 HB3 ARG A 34 -2.550 -7.674 -6.139 1.00 75.23 H new ATOM 0 HG2 ARG A 34 -1.457 -6.033 -4.735 1.00 52.20 H new ATOM 0 HG3 ARG A 34 -1.956 -5.254 -6.223 1.00 52.20 H new ATOM 0 HD2 ARG A 34 -2.473 -3.838 -4.278 1.00 4.42 H new ATOM 0 HD3 ARG A 34 -3.939 -4.311 -5.114 1.00 4.42 H new ATOM 0 HE ARG A 34 -3.204 -6.077 -2.880 1.00 44.13 H new ATOM 0 HH11 ARG A 34 -4.977 -3.198 -3.927 1.00 14.24 H new ATOM 0 HH12 ARG A 34 -6.083 -3.238 -2.550 1.00 14.24 H new ATOM 0 HH21 ARG A 34 -4.623 -6.120 -1.114 1.00 70.33 H new ATOM 0 HH22 ARG A 34 -5.883 -4.891 -0.958 1.00 70.33 H new ATOM 546 N ARG A 35 -3.305 -6.907 -8.735 1.00 41.11 N ATOM 547 CA ARG A 35 -2.757 -6.450 -9.995 1.00 30.53 C ATOM 548 C ARG A 35 -3.876 -5.945 -10.897 1.00 10.21 C ATOM 549 O ARG A 35 -3.748 -4.900 -11.499 1.00 31.31 O ATOM 550 CB ARG A 35 -1.921 -7.525 -10.702 1.00 61.30 C ATOM 551 CG ARG A 35 -2.708 -8.714 -11.230 1.00 30.53 C ATOM 552 CD ARG A 35 -1.944 -9.421 -12.341 1.00 65.50 C ATOM 553 NE ARG A 35 -0.669 -9.972 -11.880 1.00 15.21 N ATOM 554 CZ ARG A 35 0.506 -9.710 -12.455 1.00 64.24 C ATOM 555 NH1 ARG A 35 0.570 -8.894 -13.502 1.00 31.33 N ATOM 556 NH2 ARG A 35 1.613 -10.264 -11.985 1.00 43.24 N ATOM 0 H ARG A 35 -3.245 -7.913 -8.577 1.00 41.11 H new ATOM 0 HA ARG A 35 -2.075 -5.628 -9.776 1.00 30.53 H new ATOM 0 HB2 ARG A 35 -1.392 -7.062 -11.534 1.00 61.30 H new ATOM 0 HB3 ARG A 35 -1.165 -7.890 -10.007 1.00 61.30 H new ATOM 0 HG2 ARG A 35 -2.907 -9.413 -10.418 1.00 30.53 H new ATOM 0 HG3 ARG A 35 -3.675 -8.378 -11.605 1.00 30.53 H new ATOM 0 HD2 ARG A 35 -2.559 -10.225 -12.746 1.00 65.50 H new ATOM 0 HD3 ARG A 35 -1.760 -8.720 -13.155 1.00 65.50 H new ATOM 0 HE ARG A 35 -0.679 -10.593 -11.071 1.00 15.21 H new ATOM 0 HH11 ARG A 35 -0.281 -8.466 -13.868 1.00 31.33 H new ATOM 0 HH12 ARG A 35 1.470 -8.695 -13.940 1.00 31.33 H new ATOM 0 HH21 ARG A 35 1.568 -10.892 -11.182 1.00 43.24 H new ATOM 0 HH22 ARG A 35 2.511 -10.063 -12.426 1.00 43.24 H new ATOM 570 N ARG A 36 -4.991 -6.654 -10.958 1.00 70.34 N ATOM 571 CA ARG A 36 -6.100 -6.196 -11.784 1.00 5.55 C ATOM 572 C ARG A 36 -6.535 -4.796 -11.375 1.00 65.01 C ATOM 573 O ARG A 36 -6.597 -3.892 -12.203 1.00 24.33 O ATOM 574 CB ARG A 36 -7.280 -7.159 -11.707 1.00 34.11 C ATOM 575 CG ARG A 36 -7.090 -8.408 -12.549 1.00 32.02 C ATOM 576 CD ARG A 36 -8.324 -9.291 -12.527 1.00 75.52 C ATOM 577 NE ARG A 36 -8.212 -10.396 -13.475 1.00 53.54 N ATOM 578 CZ ARG A 36 -9.093 -11.385 -13.578 1.00 61.11 C ATOM 579 NH1 ARG A 36 -10.178 -11.399 -12.815 1.00 64.25 N ATOM 580 NH2 ARG A 36 -8.896 -12.353 -14.461 1.00 64.11 N ATOM 0 H ARG A 36 -5.153 -7.529 -10.459 1.00 70.34 H new ATOM 0 HA ARG A 36 -5.752 -6.166 -12.817 1.00 5.55 H new ATOM 0 HB2 ARG A 36 -7.436 -7.450 -10.668 1.00 34.11 H new ATOM 0 HB3 ARG A 36 -8.183 -6.643 -12.033 1.00 34.11 H new ATOM 0 HG2 ARG A 36 -6.864 -8.124 -13.577 1.00 32.02 H new ATOM 0 HG3 ARG A 36 -6.233 -8.970 -12.178 1.00 32.02 H new ATOM 0 HD2 ARG A 36 -8.471 -9.687 -11.522 1.00 75.52 H new ATOM 0 HD3 ARG A 36 -9.204 -8.694 -12.766 1.00 75.52 H new ATOM 0 HE ARG A 36 -7.405 -10.409 -14.099 1.00 53.54 H new ATOM 0 HH11 ARG A 36 -10.340 -10.648 -12.144 1.00 64.25 H new ATOM 0 HH12 ARG A 36 -10.851 -12.161 -12.899 1.00 64.25 H new ATOM 0 HH21 ARG A 36 -8.070 -12.337 -15.059 1.00 64.11 H new ATOM 0 HH22 ARG A 36 -9.570 -13.114 -14.543 1.00 64.11 H new ATOM 594 N ALA A 37 -6.760 -4.604 -10.082 1.00 72.30 N ATOM 595 CA ALA A 37 -7.337 -3.364 -9.585 1.00 51.45 C ATOM 596 C ALA A 37 -6.364 -2.196 -9.706 1.00 11.22 C ATOM 597 O ALA A 37 -6.613 -1.244 -10.445 1.00 15.24 O ATOM 598 CB ALA A 37 -7.782 -3.530 -8.138 1.00 74.23 C ATOM 0 H ALA A 37 -6.551 -5.292 -9.359 1.00 72.30 H new ATOM 0 HA ALA A 37 -8.205 -3.136 -10.204 1.00 51.45 H new ATOM 0 HB1 ALA A 37 -8.212 -2.594 -7.780 1.00 74.23 H new ATOM 0 HB2 ALA A 37 -8.530 -4.320 -8.076 1.00 74.23 H new ATOM 0 HB3 ALA A 37 -6.923 -3.794 -7.521 1.00 74.23 H new ATOM 604 N LEU A 38 -5.245 -2.280 -8.995 1.00 33.14 N ATOM 605 CA LEU A 38 -4.316 -1.154 -8.897 1.00 71.42 C ATOM 606 C LEU A 38 -3.547 -0.942 -10.195 1.00 42.40 C ATOM 607 O LEU A 38 -3.263 0.194 -10.580 1.00 3.44 O ATOM 608 CB LEU A 38 -3.337 -1.352 -7.731 1.00 23.35 C ATOM 609 CG LEU A 38 -3.857 -0.929 -6.351 1.00 22.24 C ATOM 610 CD1 LEU A 38 -5.114 -1.693 -5.970 1.00 75.15 C ATOM 611 CD2 LEU A 38 -2.777 -1.122 -5.300 1.00 70.13 C ATOM 0 H LEU A 38 -4.958 -3.112 -8.479 1.00 33.14 H new ATOM 0 HA LEU A 38 -4.913 -0.261 -8.709 1.00 71.42 H new ATOM 0 HB2 LEU A 38 -3.059 -2.405 -7.688 1.00 23.35 H new ATOM 0 HB3 LEU A 38 -2.427 -0.791 -7.944 1.00 23.35 H new ATOM 0 HG LEU A 38 -4.117 0.128 -6.401 1.00 22.24 H new ATOM 0 HD11 LEU A 38 -5.454 -1.367 -4.987 1.00 75.15 H new ATOM 0 HD12 LEU A 38 -5.894 -1.500 -6.706 1.00 75.15 H new ATOM 0 HD13 LEU A 38 -4.897 -2.761 -5.943 1.00 75.15 H new ATOM 0 HD21 LEU A 38 -3.159 -0.818 -4.326 1.00 70.13 H new ATOM 0 HD22 LEU A 38 -2.487 -2.172 -5.265 1.00 70.13 H new ATOM 0 HD23 LEU A 38 -1.909 -0.514 -5.555 1.00 70.13 H new ATOM 623 N THR A 39 -3.226 -2.024 -10.878 1.00 44.45 N ATOM 624 CA THR A 39 -2.482 -1.926 -12.116 1.00 44.34 C ATOM 625 C THR A 39 -3.332 -1.293 -13.217 1.00 71.25 C ATOM 626 O THR A 39 -2.830 -0.475 -13.990 1.00 41.35 O ATOM 627 CB THR A 39 -1.957 -3.305 -12.557 1.00 43.31 C ATOM 628 OG1 THR A 39 -0.985 -3.780 -11.613 1.00 21.54 O ATOM 629 CG2 THR A 39 -1.352 -3.270 -13.940 1.00 3.54 C ATOM 0 H THR A 39 -3.467 -2.975 -10.598 1.00 44.45 H new ATOM 0 HA THR A 39 -1.623 -1.279 -11.937 1.00 44.34 H new ATOM 0 HB THR A 39 -2.809 -3.984 -12.589 1.00 43.31 H new ATOM 0 HG1 THR A 39 -0.655 -4.658 -11.897 1.00 21.54 H new ATOM 0 HG21 THR A 39 -0.996 -4.265 -14.207 1.00 3.54 H new ATOM 0 HG22 THR A 39 -2.106 -2.950 -14.659 1.00 3.54 H new ATOM 0 HG23 THR A 39 -0.517 -2.570 -13.954 1.00 3.54 H new ATOM 637 N VAL A 40 -4.621 -1.633 -13.272 1.00 32.34 N ATOM 638 CA VAL A 40 -5.470 -1.119 -14.336 1.00 1.31 C ATOM 639 C VAL A 40 -5.912 0.321 -14.061 1.00 64.31 C ATOM 640 O VAL A 40 -6.099 1.098 -14.998 1.00 43.14 O ATOM 641 CB VAL A 40 -6.704 -2.015 -14.589 1.00 73.10 C ATOM 642 CG1 VAL A 40 -7.864 -1.668 -13.664 1.00 73.10 C ATOM 643 CG2 VAL A 40 -7.135 -1.933 -16.046 1.00 42.32 C ATOM 0 H VAL A 40 -5.088 -2.249 -12.606 1.00 32.34 H new ATOM 0 HA VAL A 40 -4.861 -1.128 -15.240 1.00 1.31 H new ATOM 0 HB VAL A 40 -6.411 -3.041 -14.366 1.00 73.10 H new ATOM 0 HG11 VAL A 40 -8.709 -2.323 -13.878 1.00 73.10 H new ATOM 0 HG12 VAL A 40 -7.555 -1.801 -12.627 1.00 73.10 H new ATOM 0 HG13 VAL A 40 -8.159 -0.631 -13.824 1.00 73.10 H new ATOM 0 HG21 VAL A 40 -8.005 -2.570 -16.205 1.00 42.32 H new ATOM 0 HG22 VAL A 40 -7.391 -0.902 -16.292 1.00 42.32 H new ATOM 0 HG23 VAL A 40 -6.319 -2.267 -16.686 1.00 42.32 H new ATOM 653 N VAL A 41 -6.072 0.689 -12.785 1.00 41.45 N ATOM 654 CA VAL A 41 -6.455 2.058 -12.468 1.00 2.42 C ATOM 655 C VAL A 41 -5.340 3.013 -12.865 1.00 21.13 C ATOM 656 O VAL A 41 -5.608 4.018 -13.516 1.00 62.45 O ATOM 657 CB VAL A 41 -6.852 2.275 -10.983 1.00 34.20 C ATOM 658 CG1 VAL A 41 -8.108 1.488 -10.649 1.00 74.13 C ATOM 659 CG2 VAL A 41 -5.727 1.909 -10.030 1.00 44.13 C ATOM 0 H VAL A 41 -5.946 0.075 -11.981 1.00 41.45 H new ATOM 0 HA VAL A 41 -7.354 2.267 -13.048 1.00 2.42 H new ATOM 0 HB VAL A 41 -7.053 3.339 -10.854 1.00 34.20 H new ATOM 0 HG11 VAL A 41 -8.373 1.651 -9.604 1.00 74.13 H new ATOM 0 HG12 VAL A 41 -8.927 1.821 -11.287 1.00 74.13 H new ATOM 0 HG13 VAL A 41 -7.927 0.426 -10.816 1.00 74.13 H new ATOM 0 HG21 VAL A 41 -6.051 2.077 -9.003 1.00 44.13 H new ATOM 0 HG22 VAL A 41 -5.466 0.859 -10.161 1.00 44.13 H new ATOM 0 HG23 VAL A 41 -4.855 2.528 -10.241 1.00 44.13 H new ATOM 669 N ASP A 42 -4.099 2.664 -12.485 1.00 25.12 N ATOM 670 CA ASP A 42 -2.875 3.367 -12.915 1.00 54.32 C ATOM 671 C ASP A 42 -1.709 3.008 -12.008 1.00 10.22 C ATOM 672 O ASP A 42 -1.578 3.555 -10.916 1.00 0.00 O ATOM 673 CB ASP A 42 -3.018 4.899 -12.921 1.00 11.22 C ATOM 674 CG ASP A 42 -3.316 5.465 -14.300 1.00 12.24 C ATOM 675 OD1 ASP A 42 -2.829 4.901 -15.303 1.00 32.24 O ATOM 676 OD2 ASP A 42 -4.042 6.482 -14.382 1.00 72.43 O ATOM 0 H ASP A 42 -3.914 1.877 -11.863 1.00 25.12 H new ATOM 0 HA ASP A 42 -2.695 3.039 -13.939 1.00 54.32 H new ATOM 0 HB2 ASP A 42 -3.816 5.186 -12.237 1.00 11.22 H new ATOM 0 HB3 ASP A 42 -2.098 5.345 -12.543 1.00 11.22 H new ATOM 681 N GLN A 43 -0.883 2.061 -12.436 1.00 41.33 N ATOM 682 CA GLN A 43 0.363 1.784 -11.721 1.00 3.12 C ATOM 683 C GLN A 43 1.416 1.149 -12.635 1.00 53.33 C ATOM 684 O GLN A 43 2.611 1.207 -12.343 1.00 32.12 O ATOM 685 CB GLN A 43 0.121 0.916 -10.474 1.00 52.21 C ATOM 686 CG GLN A 43 0.209 -0.587 -10.693 1.00 1.20 C ATOM 687 CD GLN A 43 0.260 -1.346 -9.376 1.00 51.21 C ATOM 688 OE1 GLN A 43 0.744 -0.831 -8.364 1.00 63.02 O ATOM 689 NE2 GLN A 43 -0.219 -2.576 -9.377 1.00 54.54 N ATOM 0 H GLN A 43 -1.046 1.480 -13.258 1.00 41.33 H new ATOM 0 HA GLN A 43 0.755 2.745 -11.387 1.00 3.12 H new ATOM 0 HB2 GLN A 43 0.847 1.197 -9.711 1.00 52.21 H new ATOM 0 HB3 GLN A 43 -0.866 1.150 -10.076 1.00 52.21 H new ATOM 0 HG2 GLN A 43 -0.652 -0.921 -11.272 1.00 1.20 H new ATOM 0 HG3 GLN A 43 1.098 -0.818 -11.280 1.00 1.20 H new ATOM 0 HE21 GLN A 43 -0.612 -2.970 -10.232 1.00 54.54 H new ATOM 0 HE22 GLN A 43 -0.196 -3.133 -8.523 1.00 54.54 H new ATOM 698 N ASP A 44 0.984 0.549 -13.742 1.00 0.54 N ATOM 699 CA ASP A 44 1.921 -0.031 -14.701 1.00 63.12 C ATOM 700 C ASP A 44 1.759 0.575 -16.105 1.00 54.55 C ATOM 701 O ASP A 44 2.716 1.142 -16.631 1.00 63.44 O ATOM 702 CB ASP A 44 1.800 -1.557 -14.747 1.00 1.41 C ATOM 703 CG ASP A 44 2.686 -2.169 -15.813 1.00 11.20 C ATOM 704 OD1 ASP A 44 3.900 -2.306 -15.576 1.00 55.12 O ATOM 705 OD2 ASP A 44 2.167 -2.523 -16.895 1.00 60.23 O ATOM 0 H ASP A 44 0.001 0.452 -13.996 1.00 0.54 H new ATOM 0 HA ASP A 44 2.923 0.218 -14.353 1.00 63.12 H new ATOM 0 HB2 ASP A 44 2.066 -1.970 -13.774 1.00 1.41 H new ATOM 0 HB3 ASP A 44 0.763 -1.832 -14.937 1.00 1.41 H new ATOM 710 N PRO A 45 0.566 0.485 -16.749 1.00 41.24 N ATOM 711 CA PRO A 45 0.367 1.078 -18.081 1.00 62.13 C ATOM 712 C PRO A 45 0.344 2.606 -18.035 1.00 53.44 C ATOM 713 O PRO A 45 0.465 3.273 -19.062 1.00 32.34 O ATOM 714 CB PRO A 45 -0.989 0.531 -18.541 1.00 61.52 C ATOM 715 CG PRO A 45 -1.717 0.201 -17.288 1.00 10.53 C ATOM 716 CD PRO A 45 -0.652 -0.208 -16.274 1.00 64.33 C ATOM 0 HA PRO A 45 1.182 0.823 -18.758 1.00 62.13 H new ATOM 0 HB2 PRO A 45 -1.533 1.269 -19.130 1.00 61.52 H new ATOM 0 HB3 PRO A 45 -0.866 -0.351 -19.170 1.00 61.52 H new ATOM 0 HG2 PRO A 45 -2.286 1.059 -16.931 1.00 10.53 H new ATOM 0 HG3 PRO A 45 -2.429 -0.608 -17.453 1.00 10.53 H new ATOM 0 HD2 PRO A 45 -0.921 0.101 -15.264 1.00 64.33 H new ATOM 0 HD3 PRO A 45 -0.515 -1.289 -16.251 1.00 64.33 H new ATOM 724 N GLY A 46 0.203 3.151 -16.834 1.00 51.51 N ATOM 725 CA GLY A 46 0.170 4.587 -16.670 1.00 75.40 C ATOM 726 C GLY A 46 0.972 5.036 -15.467 1.00 53.11 C ATOM 727 O GLY A 46 1.051 4.324 -14.464 1.00 45.05 O ATOM 0 H GLY A 46 0.111 2.620 -15.968 1.00 51.51 H new ATOM 0 HA2 GLY A 46 0.564 5.064 -17.567 1.00 75.40 H new ATOM 0 HA3 GLY A 46 -0.863 4.916 -16.561 1.00 75.40 H new ATOM 731 N GLN A 47 1.584 6.206 -15.579 1.00 71.41 N ATOM 732 CA GLN A 47 2.370 6.776 -14.495 1.00 2.03 C ATOM 733 C GLN A 47 1.574 7.878 -13.805 1.00 64.35 C ATOM 734 O GLN A 47 1.171 8.855 -14.441 1.00 25.40 O ATOM 735 CB GLN A 47 3.683 7.328 -15.046 1.00 54.33 C ATOM 736 CG GLN A 47 4.599 7.923 -13.991 1.00 73.43 C ATOM 737 CD GLN A 47 5.815 8.587 -14.601 1.00 65.41 C ATOM 738 OE1 GLN A 47 5.783 9.768 -14.937 1.00 12.51 O ATOM 739 NE2 GLN A 47 6.894 7.838 -14.748 1.00 64.32 N ATOM 0 H GLN A 47 1.550 6.784 -16.419 1.00 71.41 H new ATOM 0 HA GLN A 47 2.597 6.000 -13.764 1.00 2.03 H new ATOM 0 HB2 GLN A 47 4.213 6.527 -15.562 1.00 54.33 H new ATOM 0 HB3 GLN A 47 3.459 8.093 -15.790 1.00 54.33 H new ATOM 0 HG2 GLN A 47 4.045 8.654 -13.401 1.00 73.43 H new ATOM 0 HG3 GLN A 47 4.920 7.138 -13.306 1.00 73.43 H new ATOM 0 HE21 GLN A 47 6.880 6.861 -14.456 1.00 64.32 H new ATOM 0 HE22 GLN A 47 7.741 8.237 -15.153 1.00 64.32 H new ATOM 748 N VAL A 48 1.362 7.731 -12.508 1.00 23.13 N ATOM 749 CA VAL A 48 0.454 8.609 -11.787 1.00 21.23 C ATOM 750 C VAL A 48 1.013 8.992 -10.413 1.00 42.32 C ATOM 751 O VAL A 48 1.842 8.278 -9.853 1.00 42.12 O ATOM 752 CB VAL A 48 -0.923 7.919 -11.627 1.00 23.02 C ATOM 753 CG1 VAL A 48 -0.784 6.643 -10.816 1.00 22.21 C ATOM 754 CG2 VAL A 48 -1.950 8.849 -11.002 1.00 25.41 C ATOM 0 H VAL A 48 1.805 7.014 -11.933 1.00 23.13 H new ATOM 0 HA VAL A 48 0.339 9.526 -12.366 1.00 21.23 H new ATOM 0 HB VAL A 48 -1.284 7.662 -12.623 1.00 23.02 H new ATOM 0 HG11 VAL A 48 -1.760 6.170 -10.712 1.00 22.21 H new ATOM 0 HG12 VAL A 48 -0.102 5.961 -11.324 1.00 22.21 H new ATOM 0 HG13 VAL A 48 -0.389 6.881 -9.828 1.00 22.21 H new ATOM 0 HG21 VAL A 48 -2.903 8.328 -10.907 1.00 25.41 H new ATOM 0 HG22 VAL A 48 -1.606 9.160 -10.015 1.00 25.41 H new ATOM 0 HG23 VAL A 48 -2.079 9.727 -11.635 1.00 25.41 H new ATOM 764 N GLU A 49 0.564 10.132 -9.897 1.00 13.41 N ATOM 765 CA GLU A 49 0.944 10.597 -8.567 1.00 72.53 C ATOM 766 C GLU A 49 0.032 9.957 -7.521 1.00 72.13 C ATOM 767 O GLU A 49 -1.110 10.389 -7.341 1.00 41.13 O ATOM 768 CB GLU A 49 0.822 12.125 -8.504 1.00 50.53 C ATOM 769 CG GLU A 49 1.286 12.744 -7.195 1.00 54.01 C ATOM 770 CD GLU A 49 0.958 14.221 -7.111 1.00 75.04 C ATOM 771 OE1 GLU A 49 1.513 15.011 -7.911 1.00 2.24 O ATOM 772 OE2 GLU A 49 0.141 14.605 -6.253 1.00 72.22 O ATOM 0 H GLU A 49 -0.073 10.759 -10.388 1.00 13.41 H new ATOM 0 HA GLU A 49 1.976 10.312 -8.362 1.00 72.53 H new ATOM 0 HB2 GLU A 49 1.401 12.556 -9.320 1.00 50.53 H new ATOM 0 HB3 GLU A 49 -0.219 12.400 -8.672 1.00 50.53 H new ATOM 0 HG2 GLU A 49 0.816 12.222 -6.362 1.00 54.01 H new ATOM 0 HG3 GLU A 49 2.362 12.606 -7.092 1.00 54.01 H new ATOM 779 N TRP A 50 0.519 8.927 -6.836 1.00 30.24 N ATOM 780 CA TRP A 50 -0.336 8.183 -5.922 1.00 24.21 C ATOM 781 C TRP A 50 0.458 7.479 -4.828 1.00 65.04 C ATOM 782 O TRP A 50 1.683 7.588 -4.766 1.00 33.05 O ATOM 783 CB TRP A 50 -1.184 7.168 -6.699 1.00 62.32 C ATOM 784 CG TRP A 50 -0.466 5.932 -7.150 1.00 32.20 C ATOM 785 CD1 TRP A 50 0.576 5.849 -8.023 1.00 42.41 C ATOM 786 CD2 TRP A 50 -0.777 4.589 -6.768 1.00 61.22 C ATOM 787 NE1 TRP A 50 0.940 4.537 -8.201 1.00 30.43 N ATOM 788 CE2 TRP A 50 0.123 3.744 -7.439 1.00 50.21 C ATOM 789 CE3 TRP A 50 -1.729 4.021 -5.916 1.00 13.12 C ATOM 790 CZ2 TRP A 50 0.100 2.361 -7.284 1.00 64.33 C ATOM 791 CZ3 TRP A 50 -1.751 2.649 -5.766 1.00 11.23 C ATOM 792 CH2 TRP A 50 -0.843 1.832 -6.445 1.00 1.03 C ATOM 0 H TRP A 50 1.482 8.594 -6.895 1.00 30.24 H new ATOM 0 HA TRP A 50 -0.990 8.904 -5.432 1.00 24.21 H new ATOM 0 HB2 TRP A 50 -2.025 6.870 -6.073 1.00 62.32 H new ATOM 0 HB3 TRP A 50 -1.600 7.665 -7.576 1.00 62.32 H new ATOM 0 HD1 TRP A 50 1.048 6.693 -8.505 1.00 42.41 H new ATOM 0 HE1 TRP A 50 1.695 4.207 -8.802 1.00 30.43 H new ATOM 0 HE3 TRP A 50 -2.434 4.644 -5.385 1.00 13.12 H new ATOM 0 HZ2 TRP A 50 0.801 1.728 -7.807 1.00 64.33 H new ATOM 0 HZ3 TRP A 50 -2.483 2.199 -5.112 1.00 11.23 H new ATOM 0 HH2 TRP A 50 -0.886 0.762 -6.305 1.00 1.03 H new ATOM 803 N PHE A 51 -0.257 6.779 -3.953 1.00 2.12 N ATOM 804 CA PHE A 51 0.364 6.010 -2.894 1.00 53.42 C ATOM 805 C PHE A 51 -0.661 5.163 -2.154 1.00 43.33 C ATOM 806 O PHE A 51 -1.872 5.372 -2.285 1.00 13.41 O ATOM 807 CB PHE A 51 1.104 6.929 -1.919 1.00 14.13 C ATOM 808 CG PHE A 51 0.244 7.821 -1.067 1.00 64.13 C ATOM 809 CD1 PHE A 51 -0.267 9.004 -1.573 1.00 21.05 C ATOM 810 CD2 PHE A 51 -0.003 7.496 0.257 1.00 24.12 C ATOM 811 CE1 PHE A 51 -1.014 9.847 -0.774 1.00 74.22 C ATOM 812 CE2 PHE A 51 -0.753 8.330 1.057 1.00 35.02 C ATOM 813 CZ PHE A 51 -1.259 9.509 0.544 1.00 45.11 C ATOM 0 H PHE A 51 -1.276 6.732 -3.962 1.00 2.12 H new ATOM 0 HA PHE A 51 1.088 5.337 -3.353 1.00 53.42 H new ATOM 0 HB2 PHE A 51 1.714 6.310 -1.261 1.00 14.13 H new ATOM 0 HB3 PHE A 51 1.788 7.556 -2.491 1.00 14.13 H new ATOM 0 HD1 PHE A 51 -0.080 9.270 -2.603 1.00 21.05 H new ATOM 0 HD2 PHE A 51 0.396 6.580 0.666 1.00 24.12 H new ATOM 0 HE1 PHE A 51 -1.406 10.769 -1.178 1.00 74.22 H new ATOM 0 HE2 PHE A 51 -0.945 8.062 2.085 1.00 35.02 H new ATOM 0 HZ PHE A 51 -1.845 10.165 1.171 1.00 45.11 H new ATOM 823 N VAL A 52 -0.176 4.194 -1.396 1.00 13.35 N ATOM 824 CA VAL A 52 -1.057 3.386 -0.569 1.00 25.33 C ATOM 825 C VAL A 52 -0.873 3.736 0.898 1.00 60.41 C ATOM 826 O VAL A 52 0.245 3.959 1.376 1.00 31.14 O ATOM 827 CB VAL A 52 -0.885 1.866 -0.788 1.00 71.54 C ATOM 828 CG1 VAL A 52 -1.225 1.489 -2.221 1.00 42.13 C ATOM 829 CG2 VAL A 52 0.517 1.406 -0.439 1.00 5.34 C ATOM 0 H VAL A 52 0.812 3.949 -1.336 1.00 13.35 H new ATOM 0 HA VAL A 52 -2.074 3.626 -0.878 1.00 25.33 H new ATOM 0 HB VAL A 52 -1.578 1.358 -0.117 1.00 71.54 H new ATOM 0 HG11 VAL A 52 -1.098 0.415 -2.355 1.00 42.13 H new ATOM 0 HG12 VAL A 52 -2.259 1.761 -2.433 1.00 42.13 H new ATOM 0 HG13 VAL A 52 -0.563 2.021 -2.904 1.00 42.13 H new ATOM 0 HG21 VAL A 52 0.600 0.332 -0.606 1.00 5.34 H new ATOM 0 HG22 VAL A 52 1.238 1.927 -1.068 1.00 5.34 H new ATOM 0 HG23 VAL A 52 0.722 1.627 0.608 1.00 5.34 H new ATOM 839 N LEU A 53 -1.986 3.779 1.596 1.00 21.11 N ATOM 840 CA LEU A 53 -2.035 4.291 2.950 1.00 35.15 C ATOM 841 C LEU A 53 -2.381 3.175 3.925 1.00 43.43 C ATOM 842 O LEU A 53 -3.016 2.197 3.550 1.00 54.43 O ATOM 843 CB LEU A 53 -3.110 5.379 3.014 1.00 52.25 C ATOM 844 CG LEU A 53 -3.140 6.216 4.288 1.00 52.23 C ATOM 845 CD1 LEU A 53 -2.045 7.261 4.253 1.00 70.31 C ATOM 846 CD2 LEU A 53 -4.503 6.866 4.465 1.00 62.33 C ATOM 0 H LEU A 53 -2.887 3.459 1.240 1.00 21.11 H new ATOM 0 HA LEU A 53 -1.062 4.699 3.224 1.00 35.15 H new ATOM 0 HB2 LEU A 53 -2.971 6.049 2.166 1.00 52.25 H new ATOM 0 HB3 LEU A 53 -4.085 4.907 2.890 1.00 52.25 H new ATOM 0 HG LEU A 53 -2.963 5.562 5.142 1.00 52.23 H new ATOM 0 HD11 LEU A 53 -2.077 7.852 5.168 1.00 70.31 H new ATOM 0 HD12 LEU A 53 -1.075 6.770 4.172 1.00 70.31 H new ATOM 0 HD13 LEU A 53 -2.193 7.915 3.393 1.00 70.31 H new ATOM 0 HD21 LEU A 53 -4.507 7.460 5.379 1.00 62.33 H new ATOM 0 HD22 LEU A 53 -4.712 7.512 3.612 1.00 62.33 H new ATOM 0 HD23 LEU A 53 -5.269 6.093 4.531 1.00 62.33 H new ATOM 858 N ASN A 54 -1.927 3.292 5.160 1.00 51.54 N ATOM 859 CA ASN A 54 -2.450 2.450 6.228 1.00 12.41 C ATOM 860 C ASN A 54 -3.791 2.998 6.702 1.00 23.32 C ATOM 861 O ASN A 54 -4.110 4.159 6.465 1.00 20.11 O ATOM 862 CB ASN A 54 -1.483 2.376 7.410 1.00 45.42 C ATOM 863 CG ASN A 54 -1.288 3.716 8.093 1.00 64.52 C ATOM 864 OD1 ASN A 54 -2.065 4.102 8.961 1.00 72.34 O ATOM 865 ND2 ASN A 54 -0.231 4.418 7.730 1.00 71.25 N ATOM 0 H ASN A 54 -1.206 3.953 5.449 1.00 51.54 H new ATOM 0 HA ASN A 54 -2.576 1.443 5.830 1.00 12.41 H new ATOM 0 HB2 ASN A 54 -1.858 1.654 8.136 1.00 45.42 H new ATOM 0 HB3 ASN A 54 -0.518 2.007 7.062 1.00 45.42 H new ATOM 0 HD21 ASN A 54 -0.037 5.315 8.175 1.00 71.25 H new ATOM 0 HD22 ASN A 54 0.392 4.064 7.004 1.00 71.25 H new ATOM 872 N ALA A 55 -4.571 2.162 7.370 1.00 0.11 N ATOM 873 CA ALA A 55 -5.859 2.591 7.902 1.00 40.40 C ATOM 874 C ALA A 55 -5.934 2.312 9.395 1.00 15.42 C ATOM 875 O ALA A 55 -7.017 2.298 9.980 1.00 41.42 O ATOM 876 CB ALA A 55 -6.995 1.897 7.169 1.00 21.32 C ATOM 0 H ALA A 55 -4.338 1.187 7.557 1.00 0.11 H new ATOM 0 HA ALA A 55 -5.958 3.665 7.747 1.00 40.40 H new ATOM 0 HB1 ALA A 55 -7.949 2.229 7.579 1.00 21.32 H new ATOM 0 HB2 ALA A 55 -6.949 2.146 6.109 1.00 21.32 H new ATOM 0 HB3 ALA A 55 -6.903 0.818 7.293 1.00 21.32 H new ATOM 882 N GLU A 56 -4.764 2.077 9.988 1.00 72.43 N ATOM 883 CA GLU A 56 -4.620 1.783 11.421 1.00 50.53 C ATOM 884 C GLU A 56 -5.119 0.379 11.759 1.00 51.01 C ATOM 885 O GLU A 56 -4.437 -0.380 12.447 1.00 30.03 O ATOM 886 CB GLU A 56 -5.340 2.829 12.282 1.00 73.42 C ATOM 887 CG GLU A 56 -5.117 2.641 13.773 1.00 71.41 C ATOM 888 CD GLU A 56 -5.753 3.734 14.605 1.00 55.13 C ATOM 889 OE1 GLU A 56 -5.141 4.816 14.739 1.00 2.35 O ATOM 890 OE2 GLU A 56 -6.864 3.512 15.132 1.00 43.33 O ATOM 0 H GLU A 56 -3.877 2.085 9.485 1.00 72.43 H new ATOM 0 HA GLU A 56 -3.555 1.827 11.650 1.00 50.53 H new ATOM 0 HB2 GLU A 56 -4.999 3.823 11.994 1.00 73.42 H new ATOM 0 HB3 GLU A 56 -6.409 2.786 12.074 1.00 73.42 H new ATOM 0 HG2 GLU A 56 -5.523 1.676 14.077 1.00 71.41 H new ATOM 0 HG3 GLU A 56 -4.046 2.614 13.975 1.00 71.41 H new ATOM 897 N SER A 57 -6.287 0.036 11.254 1.00 45.21 N ATOM 898 CA SER A 57 -6.920 -1.238 11.553 1.00 15.33 C ATOM 899 C SER A 57 -6.346 -2.376 10.699 1.00 52.42 C ATOM 900 O SER A 57 -6.904 -3.473 10.656 1.00 43.30 O ATOM 901 CB SER A 57 -8.421 -1.104 11.310 1.00 44.34 C ATOM 902 OG SER A 57 -8.919 0.096 11.887 1.00 72.41 O ATOM 0 H SER A 57 -6.826 0.631 10.625 1.00 45.21 H new ATOM 0 HA SER A 57 -6.723 -1.490 12.595 1.00 15.33 H new ATOM 0 HB2 SER A 57 -8.623 -1.109 10.239 1.00 44.34 H new ATOM 0 HB3 SER A 57 -8.941 -1.962 11.737 1.00 44.34 H new ATOM 0 HG SER A 57 -9.882 0.165 11.719 1.00 72.41 H new ATOM 908 N ASN A 58 -5.223 -2.124 10.037 1.00 13.12 N ATOM 909 CA ASN A 58 -4.611 -3.123 9.164 1.00 74.15 C ATOM 910 C ASN A 58 -3.671 -4.047 9.936 1.00 44.00 C ATOM 911 O ASN A 58 -2.454 -3.946 9.827 1.00 64.14 O ATOM 912 CB ASN A 58 -3.873 -2.459 7.989 1.00 31.41 C ATOM 913 CG ASN A 58 -2.928 -1.334 8.402 1.00 34.14 C ATOM 914 OD1 ASN A 58 -3.339 -0.179 8.517 1.00 41.34 O ATOM 915 ND2 ASN A 58 -1.658 -1.653 8.597 1.00 64.34 N ATOM 0 H ASN A 58 -4.717 -1.239 10.087 1.00 13.12 H new ATOM 0 HA ASN A 58 -5.419 -3.733 8.759 1.00 74.15 H new ATOM 0 HB2 ASN A 58 -3.303 -3.220 7.455 1.00 31.41 H new ATOM 0 HB3 ASN A 58 -4.609 -2.062 7.289 1.00 31.41 H new ATOM 0 HD21 ASN A 58 -0.984 -0.931 8.851 1.00 64.34 H new ATOM 0 HD22 ASN A 58 -1.353 -2.621 8.493 1.00 64.34 H new ATOM 922 N VAL A 59 -4.243 -4.948 10.717 1.00 51.50 N ATOM 923 CA VAL A 59 -3.449 -5.868 11.522 1.00 43.33 C ATOM 924 C VAL A 59 -3.769 -7.318 11.174 1.00 72.30 C ATOM 925 O VAL A 59 -2.908 -8.056 10.702 1.00 22.00 O ATOM 926 CB VAL A 59 -3.715 -5.661 13.020 1.00 42.24 C ATOM 927 CG1 VAL A 59 -2.771 -6.506 13.864 1.00 35.03 C ATOM 928 CG2 VAL A 59 -3.611 -4.189 13.396 1.00 70.35 C ATOM 0 H VAL A 59 -5.252 -5.064 10.812 1.00 51.50 H new ATOM 0 HA VAL A 59 -2.402 -5.659 11.302 1.00 43.33 H new ATOM 0 HB VAL A 59 -4.734 -5.988 13.226 1.00 42.24 H new ATOM 0 HG11 VAL A 59 -2.981 -6.340 14.921 1.00 35.03 H new ATOM 0 HG12 VAL A 59 -2.915 -7.560 13.626 1.00 35.03 H new ATOM 0 HG13 VAL A 59 -1.740 -6.223 13.650 1.00 35.03 H new ATOM 0 HG21 VAL A 59 -3.804 -4.071 14.462 1.00 70.35 H new ATOM 0 HG22 VAL A 59 -2.610 -3.825 13.166 1.00 70.35 H new ATOM 0 HG23 VAL A 59 -4.345 -3.616 12.829 1.00 70.35 H new ATOM 938 N GLU A 60 -5.023 -7.712 11.382 1.00 23.50 N ATOM 939 CA GLU A 60 -5.437 -9.095 11.182 1.00 12.12 C ATOM 940 C GLU A 60 -5.704 -9.311 9.710 1.00 13.04 C ATOM 941 O GLU A 60 -5.852 -10.435 9.233 1.00 41.20 O ATOM 942 CB GLU A 60 -6.718 -9.375 11.965 1.00 4.31 C ATOM 943 CG GLU A 60 -6.678 -8.887 13.400 1.00 34.12 C ATOM 944 CD GLU A 60 -8.064 -8.741 13.990 1.00 72.43 C ATOM 945 OE1 GLU A 60 -8.776 -7.794 13.600 1.00 2.20 O ATOM 946 OE2 GLU A 60 -8.448 -9.564 14.849 1.00 23.15 O ATOM 0 H GLU A 60 -5.770 -7.090 11.690 1.00 23.50 H new ATOM 0 HA GLU A 60 -4.651 -9.765 11.530 1.00 12.12 H new ATOM 0 HB2 GLU A 60 -7.556 -8.902 11.453 1.00 4.31 H new ATOM 0 HB3 GLU A 60 -6.908 -10.448 11.961 1.00 4.31 H new ATOM 0 HG2 GLU A 60 -6.099 -9.586 14.004 1.00 34.12 H new ATOM 0 HG3 GLU A 60 -6.164 -7.927 13.442 1.00 34.12 H new ATOM 953 N VAL A 61 -5.733 -8.193 9.008 1.00 41.41 N ATOM 954 CA VAL A 61 -6.180 -8.120 7.636 1.00 11.42 C ATOM 955 C VAL A 61 -5.235 -8.848 6.684 1.00 2.23 C ATOM 956 O VAL A 61 -5.657 -9.404 5.670 1.00 45.14 O ATOM 957 CB VAL A 61 -6.320 -6.635 7.205 1.00 53.31 C ATOM 958 CG1 VAL A 61 -7.084 -5.846 8.259 1.00 35.21 C ATOM 959 CG2 VAL A 61 -4.964 -5.983 6.955 1.00 23.24 C ATOM 0 H VAL A 61 -5.439 -7.293 9.387 1.00 41.41 H new ATOM 0 HA VAL A 61 -7.149 -8.616 7.580 1.00 11.42 H new ATOM 0 HB VAL A 61 -6.875 -6.623 6.267 1.00 53.31 H new ATOM 0 HG11 VAL A 61 -7.174 -4.807 7.942 1.00 35.21 H new ATOM 0 HG12 VAL A 61 -8.079 -6.274 8.384 1.00 35.21 H new ATOM 0 HG13 VAL A 61 -6.548 -5.891 9.207 1.00 35.21 H new ATOM 0 HG21 VAL A 61 -5.109 -4.945 6.656 1.00 23.24 H new ATOM 0 HG22 VAL A 61 -4.370 -6.018 7.868 1.00 23.24 H new ATOM 0 HG23 VAL A 61 -4.443 -6.520 6.162 1.00 23.24 H new ATOM 969 N ASP A 62 -3.974 -8.898 7.053 1.00 22.23 N ATOM 970 CA ASP A 62 -2.934 -9.229 6.104 1.00 14.52 C ATOM 971 C ASP A 62 -2.072 -10.383 6.602 1.00 53.00 C ATOM 972 O ASP A 62 -1.565 -10.355 7.724 1.00 24.54 O ATOM 973 CB ASP A 62 -2.105 -7.967 5.879 1.00 51.22 C ATOM 974 CG ASP A 62 -1.113 -8.067 4.728 1.00 40.13 C ATOM 975 OD1 ASP A 62 -0.501 -9.140 4.534 1.00 32.31 O ATOM 976 OD2 ASP A 62 -0.957 -7.063 4.000 1.00 35.31 O ATOM 0 H ASP A 62 -3.645 -8.714 8.001 1.00 22.23 H new ATOM 0 HA ASP A 62 -3.372 -9.565 5.164 1.00 14.52 H new ATOM 0 HB2 ASP A 62 -2.780 -7.132 5.691 1.00 51.22 H new ATOM 0 HB3 ASP A 62 -1.560 -7.736 6.794 1.00 51.22 H new ATOM 981 N LEU A 63 -1.932 -11.413 5.770 1.00 10.10 N ATOM 982 CA LEU A 63 -1.146 -12.588 6.135 1.00 74.51 C ATOM 983 C LEU A 63 0.044 -12.757 5.193 1.00 21.22 C ATOM 984 O LEU A 63 1.191 -12.824 5.633 1.00 21.15 O ATOM 985 CB LEU A 63 -2.016 -13.854 6.129 1.00 13.31 C ATOM 986 CG LEU A 63 -2.857 -14.099 7.392 1.00 13.41 C ATOM 987 CD1 LEU A 63 -3.889 -13.000 7.602 1.00 21.40 C ATOM 988 CD2 LEU A 63 -3.536 -15.456 7.315 1.00 63.23 C ATOM 0 H LEU A 63 -2.352 -11.457 4.841 1.00 10.10 H new ATOM 0 HA LEU A 63 -0.768 -12.437 7.146 1.00 74.51 H new ATOM 0 HB2 LEU A 63 -2.688 -13.805 5.273 1.00 13.31 H new ATOM 0 HB3 LEU A 63 -1.367 -14.716 5.976 1.00 13.31 H new ATOM 0 HG LEU A 63 -2.183 -14.085 8.249 1.00 13.41 H new ATOM 0 HD11 LEU A 63 -4.464 -13.208 8.504 1.00 21.40 H new ATOM 0 HD12 LEU A 63 -3.382 -12.041 7.708 1.00 21.40 H new ATOM 0 HD13 LEU A 63 -4.561 -12.963 6.744 1.00 21.40 H new ATOM 0 HD21 LEU A 63 -4.129 -15.618 8.215 1.00 63.23 H new ATOM 0 HD22 LEU A 63 -4.187 -15.488 6.441 1.00 63.23 H new ATOM 0 HD23 LEU A 63 -2.780 -16.237 7.233 1.00 63.23 H new ATOM 1000 N THR A 64 -0.229 -12.833 3.899 1.00 14.42 N ATOM 1001 CA THR A 64 0.826 -12.935 2.899 1.00 65.52 C ATOM 1002 C THR A 64 0.591 -11.886 1.812 1.00 1.22 C ATOM 1003 O THR A 64 1.228 -11.876 0.742 1.00 51.13 O ATOM 1004 CB THR A 64 0.864 -14.350 2.284 1.00 60.22 C ATOM 1005 OG1 THR A 64 0.691 -15.325 3.321 1.00 21.41 O ATOM 1006 CG2 THR A 64 2.184 -14.620 1.575 1.00 2.12 C ATOM 0 H THR A 64 -1.174 -12.826 3.515 1.00 14.42 H new ATOM 0 HA THR A 64 1.789 -12.754 3.377 1.00 65.52 H new ATOM 0 HB THR A 64 0.059 -14.416 1.552 1.00 60.22 H new ATOM 0 HG1 THR A 64 -0.104 -15.866 3.132 1.00 21.41 H new ATOM 0 HG21 THR A 64 2.172 -15.626 1.155 1.00 2.12 H new ATOM 0 HG22 THR A 64 2.322 -13.894 0.774 1.00 2.12 H new ATOM 0 HG23 THR A 64 3.004 -14.534 2.288 1.00 2.12 H new ATOM 1014 N ALA A 65 -0.318 -10.971 2.116 1.00 73.23 N ATOM 1015 CA ALA A 65 -0.661 -9.919 1.192 1.00 74.20 C ATOM 1016 C ALA A 65 0.506 -8.961 1.053 1.00 23.13 C ATOM 1017 O ALA A 65 0.713 -8.402 -0.015 1.00 42.12 O ATOM 1018 CB ALA A 65 -1.920 -9.188 1.632 1.00 51.51 C ATOM 0 H ALA A 65 -0.828 -10.943 2.999 1.00 73.23 H new ATOM 0 HA ALA A 65 -0.870 -10.363 0.219 1.00 74.20 H new ATOM 0 HB1 ALA A 65 -2.153 -8.401 0.915 1.00 51.51 H new ATOM 0 HB2 ALA A 65 -2.751 -9.892 1.681 1.00 51.51 H new ATOM 0 HB3 ALA A 65 -1.760 -8.747 2.616 1.00 51.51 H new ATOM 1024 N LEU A 66 1.280 -8.783 2.131 1.00 61.44 N ATOM 1025 CA LEU A 66 2.488 -7.966 2.051 1.00 51.12 C ATOM 1026 C LEU A 66 3.502 -8.582 1.107 1.00 43.14 C ATOM 1027 O LEU A 66 4.305 -7.874 0.524 1.00 2.22 O ATOM 1028 CB LEU A 66 3.148 -7.661 3.422 1.00 71.35 C ATOM 1029 CG LEU A 66 3.702 -8.824 4.293 1.00 1.33 C ATOM 1030 CD1 LEU A 66 2.621 -9.825 4.657 1.00 30.43 C ATOM 1031 CD2 LEU A 66 4.872 -9.534 3.629 1.00 14.44 C ATOM 0 H LEU A 66 1.094 -9.186 3.049 1.00 61.44 H new ATOM 0 HA LEU A 66 2.155 -7.006 1.657 1.00 51.12 H new ATOM 0 HB2 LEU A 66 3.972 -6.972 3.239 1.00 71.35 H new ATOM 0 HB3 LEU A 66 2.413 -7.126 4.024 1.00 71.35 H new ATOM 0 HG LEU A 66 4.066 -8.364 5.212 1.00 1.33 H new ATOM 0 HD11 LEU A 66 3.052 -10.620 5.265 1.00 30.43 H new ATOM 0 HD12 LEU A 66 1.835 -9.323 5.220 1.00 30.43 H new ATOM 0 HD13 LEU A 66 2.199 -10.252 3.747 1.00 30.43 H new ATOM 0 HD21 LEU A 66 5.224 -10.338 4.275 1.00 14.44 H new ATOM 0 HD22 LEU A 66 4.551 -9.950 2.674 1.00 14.44 H new ATOM 0 HD23 LEU A 66 5.681 -8.823 3.461 1.00 14.44 H new ATOM 1043 N ASP A 67 3.476 -9.902 0.959 1.00 30.51 N ATOM 1044 CA ASP A 67 4.379 -10.556 0.026 1.00 63.25 C ATOM 1045 C ASP A 67 4.047 -10.069 -1.365 1.00 44.22 C ATOM 1046 O ASP A 67 4.833 -9.343 -1.990 1.00 20.33 O ATOM 1047 CB ASP A 67 4.253 -12.084 0.098 1.00 14.33 C ATOM 1048 CG ASP A 67 5.197 -12.807 -0.852 1.00 72.12 C ATOM 1049 OD1 ASP A 67 4.918 -12.843 -2.068 1.00 45.01 O ATOM 1050 OD2 ASP A 67 6.218 -13.353 -0.379 1.00 43.50 O ATOM 0 H ASP A 67 2.850 -10.529 1.465 1.00 30.51 H new ATOM 0 HA ASP A 67 5.408 -10.307 0.285 1.00 63.25 H new ATOM 0 HB2 ASP A 67 4.453 -12.411 1.118 1.00 14.33 H new ATOM 0 HB3 ASP A 67 3.227 -12.369 -0.133 1.00 14.33 H new ATOM 1055 N ALA A 68 2.837 -10.406 -1.804 1.00 20.43 N ATOM 1056 CA ALA A 68 2.363 -9.995 -3.123 1.00 30.01 C ATOM 1057 C ALA A 68 2.482 -8.482 -3.290 1.00 25.01 C ATOM 1058 O ALA A 68 3.002 -7.992 -4.299 1.00 22.13 O ATOM 1059 CB ALA A 68 0.923 -10.441 -3.332 1.00 33.15 C ATOM 0 H ALA A 68 2.169 -10.960 -1.268 1.00 20.43 H new ATOM 0 HA ALA A 68 2.988 -10.474 -3.877 1.00 30.01 H new ATOM 0 HB1 ALA A 68 0.585 -10.127 -4.319 1.00 33.15 H new ATOM 0 HB2 ALA A 68 0.864 -11.527 -3.256 1.00 33.15 H new ATOM 0 HB3 ALA A 68 0.288 -9.989 -2.570 1.00 33.15 H new ATOM 1065 N LEU A 69 2.033 -7.756 -2.270 1.00 11.34 N ATOM 1066 CA LEU A 69 2.055 -6.299 -2.277 1.00 23.22 C ATOM 1067 C LEU A 69 3.465 -5.761 -2.438 1.00 33.22 C ATOM 1068 O LEU A 69 3.703 -4.950 -3.309 1.00 0.43 O ATOM 1069 CB LEU A 69 1.448 -5.744 -0.987 1.00 42.13 C ATOM 1070 CG LEU A 69 1.578 -4.233 -0.807 1.00 2.33 C ATOM 1071 CD1 LEU A 69 0.833 -3.498 -1.907 1.00 64.12 C ATOM 1072 CD2 LEU A 69 1.073 -3.813 0.562 1.00 23.52 C ATOM 0 H LEU A 69 1.645 -8.161 -1.418 1.00 11.34 H new ATOM 0 HA LEU A 69 1.460 -5.974 -3.130 1.00 23.22 H new ATOM 0 HB2 LEU A 69 0.391 -6.008 -0.958 1.00 42.13 H new ATOM 0 HB3 LEU A 69 1.923 -6.237 -0.139 1.00 42.13 H new ATOM 0 HG LEU A 69 2.633 -3.967 -0.876 1.00 2.33 H new ATOM 0 HD11 LEU A 69 0.937 -2.423 -1.761 1.00 64.12 H new ATOM 0 HD12 LEU A 69 1.249 -3.775 -2.876 1.00 64.12 H new ATOM 0 HD13 LEU A 69 -0.223 -3.768 -1.875 1.00 64.12 H new ATOM 0 HD21 LEU A 69 1.174 -2.733 0.671 1.00 23.52 H new ATOM 0 HD22 LEU A 69 0.024 -4.092 0.664 1.00 23.52 H new ATOM 0 HD23 LEU A 69 1.658 -4.312 1.334 1.00 23.52 H new ATOM 1084 N ASP A 70 4.382 -6.219 -1.597 1.00 11.43 N ATOM 1085 CA ASP A 70 5.758 -5.720 -1.597 1.00 24.12 C ATOM 1086 C ASP A 70 6.357 -5.761 -2.986 1.00 41.21 C ATOM 1087 O ASP A 70 6.883 -4.765 -3.468 1.00 14.44 O ATOM 1088 CB ASP A 70 6.632 -6.548 -0.663 1.00 20.14 C ATOM 1089 CG ASP A 70 7.223 -5.727 0.466 1.00 11.52 C ATOM 1090 OD1 ASP A 70 6.471 -5.343 1.382 1.00 24.43 O ATOM 1091 OD2 ASP A 70 8.443 -5.463 0.437 1.00 23.25 O ATOM 0 H ASP A 70 4.200 -6.941 -0.900 1.00 11.43 H new ATOM 0 HA ASP A 70 5.725 -4.687 -1.251 1.00 24.12 H new ATOM 0 HB2 ASP A 70 6.040 -7.361 -0.244 1.00 20.14 H new ATOM 0 HB3 ASP A 70 7.439 -7.004 -1.236 1.00 20.14 H new ATOM 1096 N GLN A 71 6.261 -6.915 -3.630 1.00 4.15 N ATOM 1097 CA GLN A 71 6.833 -7.089 -4.959 1.00 42.13 C ATOM 1098 C GLN A 71 6.237 -6.113 -5.959 1.00 64.25 C ATOM 1099 O GLN A 71 6.966 -5.367 -6.602 1.00 62.00 O ATOM 1100 CB GLN A 71 6.644 -8.516 -5.444 1.00 63.22 C ATOM 1101 CG GLN A 71 7.570 -9.494 -4.750 1.00 10.13 C ATOM 1102 CD GLN A 71 6.903 -10.807 -4.415 1.00 74.10 C ATOM 1103 OE1 GLN A 71 7.526 -11.865 -4.460 1.00 23.10 O ATOM 1104 NE2 GLN A 71 5.648 -10.738 -4.022 1.00 4.32 N ATOM 0 H GLN A 71 5.795 -7.742 -3.257 1.00 4.15 H new ATOM 0 HA GLN A 71 7.900 -6.881 -4.882 1.00 42.13 H new ATOM 0 HB2 GLN A 71 5.610 -8.819 -5.277 1.00 63.22 H new ATOM 0 HB3 GLN A 71 6.818 -8.557 -6.519 1.00 63.22 H new ATOM 0 HG2 GLN A 71 8.432 -9.684 -5.389 1.00 10.13 H new ATOM 0 HG3 GLN A 71 7.946 -9.040 -3.833 1.00 10.13 H new ATOM 0 HE21 GLN A 71 5.169 -9.838 -4.000 1.00 4.32 H new ATOM 0 HE22 GLN A 71 5.155 -11.585 -3.739 1.00 4.32 H new ATOM 1113 N LEU A 72 4.917 -6.100 -6.080 1.00 71.41 N ATOM 1114 CA LEU A 72 4.278 -5.242 -7.069 1.00 4.30 C ATOM 1115 C LEU A 72 4.347 -3.774 -6.656 1.00 3.23 C ATOM 1116 O LEU A 72 4.313 -2.884 -7.494 1.00 74.51 O ATOM 1117 CB LEU A 72 2.833 -5.686 -7.335 1.00 43.52 C ATOM 1118 CG LEU A 72 1.908 -5.776 -6.117 1.00 60.53 C ATOM 1119 CD1 LEU A 72 1.367 -4.404 -5.730 1.00 73.23 C ATOM 1120 CD2 LEU A 72 0.773 -6.746 -6.396 1.00 2.24 C ATOM 0 H LEU A 72 4.278 -6.662 -5.518 1.00 71.41 H new ATOM 0 HA LEU A 72 4.829 -5.343 -8.004 1.00 4.30 H new ATOM 0 HB2 LEU A 72 2.389 -4.992 -8.049 1.00 43.52 H new ATOM 0 HB3 LEU A 72 2.860 -6.664 -7.815 1.00 43.52 H new ATOM 0 HG LEU A 72 2.488 -6.149 -5.273 1.00 60.53 H new ATOM 0 HD11 LEU A 72 0.714 -4.502 -4.863 1.00 73.23 H new ATOM 0 HD12 LEU A 72 2.197 -3.741 -5.486 1.00 73.23 H new ATOM 0 HD13 LEU A 72 0.802 -3.987 -6.564 1.00 73.23 H new ATOM 0 HD21 LEU A 72 0.121 -6.803 -5.525 1.00 2.24 H new ATOM 0 HD22 LEU A 72 0.200 -6.398 -7.256 1.00 2.24 H new ATOM 0 HD23 LEU A 72 1.182 -7.734 -6.608 1.00 2.24 H new ATOM 1132 N ARG A 73 4.461 -3.516 -5.366 1.00 23.21 N ATOM 1133 CA ARG A 73 4.623 -2.158 -4.895 1.00 11.12 C ATOM 1134 C ARG A 73 6.008 -1.687 -5.267 1.00 2.11 C ATOM 1135 O ARG A 73 6.157 -0.796 -6.077 1.00 0.21 O ATOM 1136 CB ARG A 73 4.405 -2.045 -3.382 1.00 63.13 C ATOM 1137 CG ARG A 73 4.378 -0.610 -2.864 1.00 43.01 C ATOM 1138 CD ARG A 73 3.249 0.202 -3.492 1.00 33.14 C ATOM 1139 NE ARG A 73 3.505 0.516 -4.899 1.00 62.12 N ATOM 1140 CZ ARG A 73 2.665 0.240 -5.899 1.00 53.21 C ATOM 1141 NH1 ARG A 73 1.494 -0.331 -5.653 1.00 2.22 N ATOM 1142 NH2 ARG A 73 2.999 0.532 -7.149 1.00 42.42 N ATOM 0 H ARG A 73 4.444 -4.225 -4.633 1.00 23.21 H new ATOM 0 HA ARG A 73 3.868 -1.529 -5.367 1.00 11.12 H new ATOM 0 HB2 ARG A 73 3.464 -2.531 -3.124 1.00 63.13 H new ATOM 0 HB3 ARG A 73 5.197 -2.591 -2.869 1.00 63.13 H new ATOM 0 HG2 ARG A 73 4.260 -0.618 -1.780 1.00 43.01 H new ATOM 0 HG3 ARG A 73 5.333 -0.129 -3.077 1.00 43.01 H new ATOM 0 HD2 ARG A 73 2.315 -0.355 -3.411 1.00 33.14 H new ATOM 0 HD3 ARG A 73 3.117 1.129 -2.934 1.00 33.14 H new ATOM 0 HE ARG A 73 4.385 0.977 -5.131 1.00 62.12 H new ATOM 0 HH11 ARG A 73 1.230 -0.562 -4.695 1.00 2.22 H new ATOM 0 HH12 ARG A 73 0.857 -0.539 -6.422 1.00 2.22 H new ATOM 0 HH21 ARG A 73 3.899 0.968 -7.348 1.00 42.42 H new ATOM 0 HH22 ARG A 73 2.356 0.320 -7.912 1.00 42.42 H new ATOM 1156 N THR A 74 7.000 -2.346 -4.709 1.00 52.44 N ATOM 1157 CA THR A 74 8.395 -2.092 -5.016 1.00 11.32 C ATOM 1158 C THR A 74 8.634 -1.955 -6.529 1.00 2.35 C ATOM 1159 O THR A 74 9.127 -0.926 -7.012 1.00 1.15 O ATOM 1160 CB THR A 74 9.232 -3.251 -4.433 1.00 54.42 C ATOM 1161 OG1 THR A 74 9.486 -3.023 -3.044 1.00 64.34 O ATOM 1162 CG2 THR A 74 10.533 -3.465 -5.180 1.00 31.25 C ATOM 0 H THR A 74 6.861 -3.084 -4.019 1.00 52.44 H new ATOM 0 HA THR A 74 8.694 -1.144 -4.569 1.00 11.32 H new ATOM 0 HB THR A 74 8.646 -4.163 -4.552 1.00 54.42 H new ATOM 0 HG1 THR A 74 9.156 -2.135 -2.792 1.00 64.34 H new ATOM 0 HG21 THR A 74 11.081 -4.292 -4.727 1.00 31.25 H new ATOM 0 HG22 THR A 74 10.319 -3.699 -6.223 1.00 31.25 H new ATOM 0 HG23 THR A 74 11.136 -2.558 -5.128 1.00 31.25 H new ATOM 1170 N GLU A 75 8.224 -2.974 -7.267 1.00 74.41 N ATOM 1171 CA GLU A 75 8.495 -3.064 -8.692 1.00 33.23 C ATOM 1172 C GLU A 75 7.756 -1.991 -9.494 1.00 41.52 C ATOM 1173 O GLU A 75 8.285 -1.464 -10.475 1.00 61.55 O ATOM 1174 CB GLU A 75 8.112 -4.464 -9.180 1.00 4.11 C ATOM 1175 CG GLU A 75 8.225 -4.662 -10.679 1.00 31.32 C ATOM 1176 CD GLU A 75 8.042 -6.108 -11.083 1.00 74.22 C ATOM 1177 OE1 GLU A 75 6.944 -6.660 -10.874 1.00 71.15 O ATOM 1178 OE2 GLU A 75 9.010 -6.707 -11.599 1.00 12.14 O ATOM 0 H GLU A 75 7.694 -3.762 -6.895 1.00 74.41 H new ATOM 0 HA GLU A 75 9.559 -2.889 -8.851 1.00 33.23 H new ATOM 0 HB2 GLU A 75 8.748 -5.195 -8.681 1.00 4.11 H new ATOM 0 HB3 GLU A 75 7.087 -4.673 -8.875 1.00 4.11 H new ATOM 0 HG2 GLU A 75 7.477 -4.049 -11.181 1.00 31.32 H new ATOM 0 HG3 GLU A 75 9.201 -4.314 -11.017 1.00 31.32 H new ATOM 1185 N LEU A 76 6.551 -1.647 -9.067 1.00 20.34 N ATOM 1186 CA LEU A 76 5.698 -0.766 -9.854 1.00 4.41 C ATOM 1187 C LEU A 76 5.568 0.622 -9.217 1.00 74.34 C ATOM 1188 O LEU A 76 4.823 1.469 -9.702 1.00 13.05 O ATOM 1189 CB LEU A 76 4.328 -1.416 -10.019 1.00 5.03 C ATOM 1190 CG LEU A 76 4.366 -2.844 -10.583 1.00 4.21 C ATOM 1191 CD1 LEU A 76 3.070 -3.583 -10.292 1.00 71.22 C ATOM 1192 CD2 LEU A 76 4.640 -2.819 -12.075 1.00 72.31 C ATOM 0 H LEU A 76 6.143 -1.961 -8.187 1.00 20.34 H new ATOM 0 HA LEU A 76 6.157 -0.622 -10.832 1.00 4.41 H new ATOM 0 HB2 LEU A 76 3.829 -1.434 -9.050 1.00 5.03 H new ATOM 0 HB3 LEU A 76 3.722 -0.794 -10.678 1.00 5.03 H new ATOM 0 HG LEU A 76 5.177 -3.379 -10.089 1.00 4.21 H new ATOM 0 HD11 LEU A 76 3.126 -4.591 -10.703 1.00 71.22 H new ATOM 0 HD12 LEU A 76 2.917 -3.638 -9.214 1.00 71.22 H new ATOM 0 HD13 LEU A 76 2.237 -3.050 -10.750 1.00 71.22 H new ATOM 0 HD21 LEU A 76 4.663 -3.839 -12.458 1.00 72.31 H new ATOM 0 HD22 LEU A 76 3.852 -2.260 -12.580 1.00 72.31 H new ATOM 0 HD23 LEU A 76 5.601 -2.340 -12.260 1.00 72.31 H new ATOM 1204 N LEU A 77 6.284 0.845 -8.127 1.00 14.34 N ATOM 1205 CA LEU A 77 6.329 2.158 -7.490 1.00 42.45 C ATOM 1206 C LEU A 77 7.604 2.868 -7.898 1.00 53.13 C ATOM 1207 O LEU A 77 7.623 4.084 -8.074 1.00 60.02 O ATOM 1208 CB LEU A 77 6.239 2.022 -5.962 1.00 31.41 C ATOM 1209 CG LEU A 77 6.204 3.319 -5.150 1.00 44.14 C ATOM 1210 CD1 LEU A 77 5.496 3.074 -3.832 1.00 13.43 C ATOM 1211 CD2 LEU A 77 7.613 3.837 -4.883 1.00 34.43 C ATOM 0 H LEU A 77 6.845 0.133 -7.661 1.00 14.34 H new ATOM 0 HA LEU A 77 5.474 2.749 -7.818 1.00 42.45 H new ATOM 0 HB2 LEU A 77 5.342 1.450 -5.725 1.00 31.41 H new ATOM 0 HB3 LEU A 77 7.092 1.433 -5.623 1.00 31.41 H new ATOM 0 HG LEU A 77 5.665 4.070 -5.727 1.00 44.14 H new ATOM 0 HD11 LEU A 77 5.472 3.998 -3.255 1.00 13.43 H new ATOM 0 HD12 LEU A 77 4.477 2.739 -4.023 1.00 13.43 H new ATOM 0 HD13 LEU A 77 6.030 2.308 -3.269 1.00 13.43 H new ATOM 0 HD21 LEU A 77 7.558 4.759 -4.304 1.00 34.43 H new ATOM 0 HD22 LEU A 77 8.175 3.090 -4.323 1.00 34.43 H new ATOM 0 HD23 LEU A 77 8.114 4.033 -5.831 1.00 34.43 H new ATOM 1223 N ARG A 78 8.664 2.091 -8.091 1.00 35.01 N ATOM 1224 CA ARG A 78 9.942 2.630 -8.540 1.00 54.15 C ATOM 1225 C ARG A 78 9.870 3.039 -10.023 1.00 54.21 C ATOM 1226 O ARG A 78 10.856 2.973 -10.757 1.00 4.41 O ATOM 1227 CB ARG A 78 11.034 1.581 -8.306 1.00 55.20 C ATOM 1228 CG ARG A 78 10.928 0.363 -9.211 1.00 1.10 C ATOM 1229 CD ARG A 78 11.912 -0.725 -8.806 1.00 45.21 C ATOM 1230 NE ARG A 78 13.290 -0.232 -8.740 1.00 4.32 N ATOM 1231 CZ ARG A 78 14.308 -0.747 -9.428 1.00 41.21 C ATOM 1232 NH1 ARG A 78 14.106 -1.735 -10.295 1.00 41.34 N ATOM 1233 NH2 ARG A 78 15.529 -0.254 -9.257 1.00 62.31 N ATOM 0 H ARG A 78 8.663 1.082 -7.943 1.00 35.01 H new ATOM 0 HA ARG A 78 10.182 3.527 -7.969 1.00 54.15 H new ATOM 0 HB2 ARG A 78 12.008 2.047 -8.454 1.00 55.20 H new ATOM 0 HB3 ARG A 78 10.992 1.253 -7.267 1.00 55.20 H new ATOM 0 HG2 ARG A 78 9.913 -0.032 -9.173 1.00 1.10 H new ATOM 0 HG3 ARG A 78 11.116 0.659 -10.243 1.00 1.10 H new ATOM 0 HD2 ARG A 78 11.626 -1.127 -7.834 1.00 45.21 H new ATOM 0 HD3 ARG A 78 11.856 -1.546 -9.520 1.00 45.21 H new ATOM 0 HE ARG A 78 13.483 0.559 -8.126 1.00 4.32 H new ATOM 0 HH11 ARG A 78 13.166 -2.104 -10.437 1.00 41.34 H new ATOM 0 HH12 ARG A 78 14.891 -2.123 -10.818 1.00 41.34 H new ATOM 0 HH21 ARG A 78 15.682 0.513 -8.603 1.00 62.31 H new ATOM 0 HH22 ARG A 78 16.314 -0.643 -9.780 1.00 62.31 H new ATOM 1247 N ARG A 79 8.694 3.500 -10.433 1.00 34.15 N ATOM 1248 CA ARG A 79 8.409 3.833 -11.819 1.00 10.34 C ATOM 1249 C ARG A 79 8.099 5.323 -11.962 1.00 61.50 C ATOM 1250 O ARG A 79 8.247 5.898 -13.042 1.00 13.41 O ATOM 1251 CB ARG A 79 7.206 3.014 -12.301 1.00 44.22 C ATOM 1252 CG ARG A 79 7.335 1.522 -12.030 1.00 32.00 C ATOM 1253 CD ARG A 79 8.080 0.801 -13.135 1.00 41.14 C ATOM 1254 NE ARG A 79 7.224 0.562 -14.296 1.00 71.20 N ATOM 1255 CZ ARG A 79 7.614 -0.071 -15.402 1.00 61.44 C ATOM 1256 NH1 ARG A 79 8.875 -0.469 -15.536 1.00 52.44 N ATOM 1257 NH2 ARG A 79 6.737 -0.306 -16.373 1.00 31.51 N ATOM 0 H ARG A 79 7.905 3.654 -9.805 1.00 34.15 H new ATOM 0 HA ARG A 79 9.286 3.599 -12.423 1.00 10.34 H new ATOM 0 HB2 ARG A 79 6.305 3.386 -11.814 1.00 44.22 H new ATOM 0 HB3 ARG A 79 7.077 3.170 -13.372 1.00 44.22 H new ATOM 0 HG2 ARG A 79 7.855 1.370 -11.084 1.00 32.00 H new ATOM 0 HG3 ARG A 79 6.341 1.087 -11.921 1.00 32.00 H new ATOM 0 HD2 ARG A 79 8.945 1.391 -13.436 1.00 41.14 H new ATOM 0 HD3 ARG A 79 8.458 -0.150 -12.759 1.00 41.14 H new ATOM 0 HE ARG A 79 6.263 0.903 -14.257 1.00 71.20 H new ATOM 0 HH11 ARG A 79 9.548 -0.290 -14.791 1.00 52.44 H new ATOM 0 HH12 ARG A 79 9.170 -0.953 -16.384 1.00 52.44 H new ATOM 0 HH21 ARG A 79 5.769 -0.002 -16.270 1.00 31.51 H new ATOM 0 HH22 ARG A 79 7.032 -0.790 -17.221 1.00 31.51 H new ATOM 1271 N GLY A 80 7.666 5.944 -10.866 1.00 60.33 N ATOM 1272 CA GLY A 80 7.287 7.345 -10.909 1.00 15.10 C ATOM 1273 C GLY A 80 6.975 7.898 -9.532 1.00 42.34 C ATOM 1274 O GLY A 80 7.407 7.338 -8.525 1.00 55.24 O ATOM 0 H GLY A 80 7.572 5.502 -9.952 1.00 60.33 H new ATOM 0 HA2 GLY A 80 8.095 7.924 -11.357 1.00 15.10 H new ATOM 0 HA3 GLY A 80 6.415 7.464 -11.552 1.00 15.10 H new ATOM 1278 N ILE A 81 6.212 8.988 -9.485 1.00 53.35 N ATOM 1279 CA ILE A 81 5.874 9.634 -8.220 1.00 71.32 C ATOM 1280 C ILE A 81 4.772 8.866 -7.472 1.00 3.45 C ATOM 1281 O ILE A 81 3.571 9.064 -7.681 1.00 4.14 O ATOM 1282 CB ILE A 81 5.478 11.124 -8.423 1.00 11.12 C ATOM 1283 CG1 ILE A 81 5.091 11.776 -7.091 1.00 12.21 C ATOM 1284 CG2 ILE A 81 4.354 11.272 -9.440 1.00 12.53 C ATOM 1285 CD1 ILE A 81 6.231 11.855 -6.100 1.00 61.13 C ATOM 0 H ILE A 81 5.817 9.442 -10.308 1.00 53.35 H new ATOM 0 HA ILE A 81 6.771 9.614 -7.601 1.00 71.32 H new ATOM 0 HB ILE A 81 6.352 11.642 -8.817 1.00 11.12 H new ATOM 0 HG12 ILE A 81 4.718 12.782 -7.284 1.00 12.21 H new ATOM 0 HG13 ILE A 81 4.272 11.212 -6.645 1.00 12.21 H new ATOM 0 HG21 ILE A 81 4.104 12.327 -9.555 1.00 12.53 H new ATOM 0 HG22 ILE A 81 4.676 10.868 -10.400 1.00 12.53 H new ATOM 0 HG23 ILE A 81 3.476 10.727 -9.094 1.00 12.53 H new ATOM 0 HD11 ILE A 81 5.883 12.328 -5.182 1.00 61.13 H new ATOM 0 HD12 ILE A 81 6.590 10.850 -5.877 1.00 61.13 H new ATOM 0 HD13 ILE A 81 7.043 12.444 -6.526 1.00 61.13 H new ATOM 1297 N VAL A 82 5.204 7.960 -6.614 1.00 40.24 N ATOM 1298 CA VAL A 82 4.301 7.152 -5.818 1.00 43.32 C ATOM 1299 C VAL A 82 5.027 6.653 -4.577 1.00 43.25 C ATOM 1300 O VAL A 82 6.245 6.505 -4.599 1.00 11.12 O ATOM 1301 CB VAL A 82 3.733 5.966 -6.647 1.00 73.32 C ATOM 1302 CG1 VAL A 82 4.823 5.309 -7.473 1.00 63.11 C ATOM 1303 CG2 VAL A 82 3.054 4.933 -5.756 1.00 2.20 C ATOM 0 H VAL A 82 6.191 7.764 -6.450 1.00 40.24 H new ATOM 0 HA VAL A 82 3.455 7.767 -5.511 1.00 43.32 H new ATOM 0 HB VAL A 82 2.982 6.376 -7.322 1.00 73.32 H new ATOM 0 HG11 VAL A 82 4.399 4.483 -8.043 1.00 63.11 H new ATOM 0 HG12 VAL A 82 5.251 6.041 -8.158 1.00 63.11 H new ATOM 0 HG13 VAL A 82 5.603 4.931 -6.812 1.00 63.11 H new ATOM 0 HG21 VAL A 82 2.669 4.119 -6.371 1.00 2.20 H new ATOM 0 HG22 VAL A 82 3.776 4.538 -5.041 1.00 2.20 H new ATOM 0 HG23 VAL A 82 2.230 5.402 -5.218 1.00 2.20 H new ATOM 1313 N PHE A 83 4.295 6.453 -3.486 1.00 42.12 N ATOM 1314 CA PHE A 83 4.890 5.940 -2.253 1.00 11.02 C ATOM 1315 C PHE A 83 3.946 4.952 -1.560 1.00 24.31 C ATOM 1316 O PHE A 83 2.887 4.602 -2.091 1.00 4.21 O ATOM 1317 CB PHE A 83 5.242 7.086 -1.292 1.00 70.54 C ATOM 1318 CG PHE A 83 6.295 8.028 -1.810 1.00 71.25 C ATOM 1319 CD1 PHE A 83 7.635 7.683 -1.765 1.00 14.13 C ATOM 1320 CD2 PHE A 83 5.942 9.261 -2.337 1.00 44.12 C ATOM 1321 CE1 PHE A 83 8.605 8.548 -2.236 1.00 32.32 C ATOM 1322 CE2 PHE A 83 6.907 10.130 -2.811 1.00 43.44 C ATOM 1323 CZ PHE A 83 8.242 9.771 -2.762 1.00 43.41 C ATOM 0 H PHE A 83 3.293 6.637 -3.428 1.00 42.12 H new ATOM 0 HA PHE A 83 5.808 5.418 -2.524 1.00 11.02 H new ATOM 0 HB2 PHE A 83 4.337 7.654 -1.076 1.00 70.54 H new ATOM 0 HB3 PHE A 83 5.584 6.661 -0.348 1.00 70.54 H new ATOM 0 HD1 PHE A 83 7.926 6.726 -1.357 1.00 14.13 H new ATOM 0 HD2 PHE A 83 4.901 9.546 -2.378 1.00 44.12 H new ATOM 0 HE1 PHE A 83 9.647 8.267 -2.192 1.00 32.32 H new ATOM 0 HE2 PHE A 83 6.619 11.088 -3.219 1.00 43.44 H new ATOM 0 HZ PHE A 83 8.998 10.446 -3.134 1.00 43.41 H new ATOM 1333 N ALA A 84 4.353 4.480 -0.394 1.00 52.34 N ATOM 1334 CA ALA A 84 3.543 3.567 0.402 1.00 23.31 C ATOM 1335 C ALA A 84 3.931 3.667 1.867 1.00 12.14 C ATOM 1336 O ALA A 84 5.109 3.825 2.188 1.00 21.42 O ATOM 1337 CB ALA A 84 3.720 2.141 -0.088 1.00 34.12 C ATOM 0 H ALA A 84 5.251 4.716 0.028 1.00 52.34 H new ATOM 0 HA ALA A 84 2.495 3.846 0.294 1.00 23.31 H new ATOM 0 HB1 ALA A 84 3.109 1.470 0.516 1.00 34.12 H new ATOM 0 HB2 ALA A 84 3.410 2.074 -1.131 1.00 34.12 H new ATOM 0 HB3 ALA A 84 4.768 1.854 -0.001 1.00 34.12 H new ATOM 1343 N MET A 85 2.955 3.583 2.763 1.00 72.25 N ATOM 1344 CA MET A 85 3.236 3.741 4.184 1.00 74.05 C ATOM 1345 C MET A 85 2.250 3.002 5.087 1.00 15.23 C ATOM 1346 O MET A 85 1.040 3.268 5.085 1.00 65.43 O ATOM 1347 CB MET A 85 3.266 5.220 4.550 1.00 64.21 C ATOM 1348 CG MET A 85 2.235 6.047 3.811 1.00 12.41 C ATOM 1349 SD MET A 85 1.789 7.527 4.714 1.00 4.11 S ATOM 1350 CE MET A 85 0.805 6.787 6.004 1.00 0.13 C ATOM 0 H MET A 85 1.976 3.409 2.536 1.00 72.25 H new ATOM 0 HA MET A 85 4.213 3.289 4.356 1.00 74.05 H new ATOM 0 HB2 MET A 85 3.102 5.324 5.623 1.00 64.21 H new ATOM 0 HB3 MET A 85 4.258 5.618 4.339 1.00 64.21 H new ATOM 0 HG2 MET A 85 2.626 6.324 2.832 1.00 12.41 H new ATOM 0 HG3 MET A 85 1.343 5.445 3.639 1.00 12.41 H new ATOM 0 HE1 MET A 85 0.039 7.492 6.327 1.00 0.13 H new ATOM 0 HE2 MET A 85 0.330 5.882 5.625 1.00 0.13 H new ATOM 0 HE3 MET A 85 1.445 6.534 6.850 1.00 0.13 H new ATOM 1360 N ALA A 86 2.804 2.096 5.880 1.00 73.54 N ATOM 1361 CA ALA A 86 2.049 1.357 6.880 1.00 3.14 C ATOM 1362 C ALA A 86 2.220 2.012 8.250 1.00 34.32 C ATOM 1363 O ALA A 86 2.546 3.203 8.327 1.00 0.41 O ATOM 1364 CB ALA A 86 2.503 -0.092 6.905 1.00 23.31 C ATOM 0 H ALA A 86 3.794 1.852 5.847 1.00 73.54 H new ATOM 0 HA ALA A 86 0.990 1.377 6.623 1.00 3.14 H new ATOM 0 HB1 ALA A 86 1.933 -0.639 7.656 1.00 23.31 H new ATOM 0 HB2 ALA A 86 2.338 -0.542 5.926 1.00 23.31 H new ATOM 0 HB3 ALA A 86 3.564 -0.137 7.151 1.00 23.31 H new ATOM 1370 N ARG A 87 2.005 1.247 9.327 1.00 43.33 N ATOM 1371 CA ARG A 87 2.096 1.801 10.685 1.00 45.13 C ATOM 1372 C ARG A 87 2.164 0.717 11.770 1.00 52.53 C ATOM 1373 O ARG A 87 2.759 0.935 12.826 1.00 1.42 O ATOM 1374 CB ARG A 87 0.893 2.692 10.982 1.00 41.40 C ATOM 1375 CG ARG A 87 -0.425 1.935 10.986 1.00 53.10 C ATOM 1376 CD ARG A 87 -1.553 2.765 11.559 1.00 55.42 C ATOM 1377 NE ARG A 87 -1.424 2.963 13.000 1.00 51.10 N ATOM 1378 CZ ARG A 87 -2.006 3.960 13.664 1.00 64.21 C ATOM 1379 NH1 ARG A 87 -2.657 4.907 13.002 1.00 54.22 N ATOM 1380 NH2 ARG A 87 -1.928 4.019 14.988 1.00 1.23 N ATOM 0 H ARG A 87 1.770 0.255 9.288 1.00 43.33 H new ATOM 0 HA ARG A 87 3.022 2.375 10.711 1.00 45.13 H new ATOM 0 HB2 ARG A 87 1.033 3.170 11.952 1.00 41.40 H new ATOM 0 HB3 ARG A 87 0.846 3.488 10.238 1.00 41.40 H new ATOM 0 HG2 ARG A 87 -0.675 1.637 9.968 1.00 53.10 H new ATOM 0 HG3 ARG A 87 -0.316 1.020 11.568 1.00 53.10 H new ATOM 0 HD2 ARG A 87 -1.575 3.735 11.063 1.00 55.42 H new ATOM 0 HD3 ARG A 87 -2.504 2.277 11.346 1.00 55.42 H new ATOM 0 HE ARG A 87 -0.856 2.300 13.528 1.00 51.10 H new ATOM 0 HH11 ARG A 87 -2.712 4.872 11.984 1.00 54.22 H new ATOM 0 HH12 ARG A 87 -3.103 5.670 13.511 1.00 54.22 H new ATOM 0 HH21 ARG A 87 -1.420 3.299 15.502 1.00 1.23 H new ATOM 0 HH22 ARG A 87 -2.376 4.785 15.492 1.00 1.23 H new ATOM 1394 N VAL A 88 1.558 -0.439 11.521 1.00 23.11 N ATOM 1395 CA VAL A 88 1.333 -1.406 12.588 1.00 34.20 C ATOM 1396 C VAL A 88 2.551 -2.280 12.844 1.00 52.34 C ATOM 1397 O VAL A 88 3.405 -2.466 11.981 1.00 10.13 O ATOM 1398 CB VAL A 88 0.104 -2.303 12.319 1.00 55.43 C ATOM 1399 CG1 VAL A 88 -1.139 -1.455 12.103 1.00 54.01 C ATOM 1400 CG2 VAL A 88 0.346 -3.221 11.131 1.00 4.43 C ATOM 0 H VAL A 88 1.218 -0.726 10.603 1.00 23.11 H new ATOM 0 HA VAL A 88 1.140 -0.811 13.481 1.00 34.20 H new ATOM 0 HB VAL A 88 -0.056 -2.929 13.197 1.00 55.43 H new ATOM 0 HG11 VAL A 88 -1.994 -2.104 11.915 1.00 54.01 H new ATOM 0 HG12 VAL A 88 -1.328 -0.854 12.992 1.00 54.01 H new ATOM 0 HG13 VAL A 88 -0.987 -0.798 11.247 1.00 54.01 H new ATOM 0 HG21 VAL A 88 -0.535 -3.841 10.965 1.00 4.43 H new ATOM 0 HG22 VAL A 88 0.541 -2.622 10.242 1.00 4.43 H new ATOM 0 HG23 VAL A 88 1.206 -3.860 11.334 1.00 4.43 H new ATOM 1410 N LYS A 89 2.597 -2.825 14.049 1.00 62.10 N ATOM 1411 CA LYS A 89 3.711 -3.644 14.512 1.00 62.24 C ATOM 1412 C LYS A 89 3.729 -5.030 13.863 1.00 25.35 C ATOM 1413 O LYS A 89 4.528 -5.890 14.243 1.00 53.41 O ATOM 1414 CB LYS A 89 3.658 -3.792 16.037 1.00 13.41 C ATOM 1415 CG LYS A 89 2.509 -4.653 16.558 1.00 41.30 C ATOM 1416 CD LYS A 89 1.157 -3.969 16.423 1.00 22.50 C ATOM 1417 CE LYS A 89 0.088 -4.680 17.234 1.00 22.41 C ATOM 1418 NZ LYS A 89 0.334 -4.565 18.699 1.00 63.14 N ATOM 0 H LYS A 89 1.856 -2.712 14.741 1.00 62.10 H new ATOM 0 HA LYS A 89 4.627 -3.131 14.217 1.00 62.24 H new ATOM 0 HB2 LYS A 89 4.599 -4.222 16.379 1.00 13.41 H new ATOM 0 HB3 LYS A 89 3.580 -2.800 16.482 1.00 13.41 H new ATOM 0 HG2 LYS A 89 2.491 -5.596 16.012 1.00 41.30 H new ATOM 0 HG3 LYS A 89 2.687 -4.894 17.606 1.00 41.30 H new ATOM 0 HD2 LYS A 89 1.238 -2.934 16.754 1.00 22.50 H new ATOM 0 HD3 LYS A 89 0.863 -3.946 15.374 1.00 22.50 H new ATOM 0 HE2 LYS A 89 -0.889 -4.259 16.996 1.00 22.41 H new ATOM 0 HE3 LYS A 89 0.059 -5.733 16.952 1.00 22.41 H new ATOM 0 HZ1 LYS A 89 -0.546 -4.766 19.216 1.00 63.14 H new ATOM 0 HZ2 LYS A 89 1.066 -5.247 18.983 1.00 63.14 H new ATOM 0 HZ3 LYS A 89 0.654 -3.601 18.923 1.00 63.14 H new ATOM 1432 N GLN A 90 2.856 -5.248 12.895 1.00 30.43 N ATOM 1433 CA GLN A 90 2.812 -6.520 12.191 1.00 61.25 C ATOM 1434 C GLN A 90 3.507 -6.427 10.842 1.00 21.11 C ATOM 1435 O GLN A 90 4.538 -7.074 10.612 1.00 40.52 O ATOM 1436 CB GLN A 90 1.376 -6.987 11.986 1.00 13.53 C ATOM 1437 CG GLN A 90 0.868 -7.915 13.077 1.00 24.22 C ATOM 1438 CD GLN A 90 -0.115 -8.948 12.550 1.00 61.35 C ATOM 1439 OE1 GLN A 90 -1.054 -9.336 13.244 1.00 22.11 O ATOM 1440 NE2 GLN A 90 0.127 -9.446 11.344 1.00 31.23 N ATOM 0 H GLN A 90 2.169 -4.563 12.578 1.00 30.43 H new ATOM 0 HA GLN A 90 3.337 -7.246 12.812 1.00 61.25 H new ATOM 0 HB2 GLN A 90 0.725 -6.115 11.933 1.00 13.53 H new ATOM 0 HB3 GLN A 90 1.304 -7.498 11.026 1.00 13.53 H new ATOM 0 HG2 GLN A 90 1.713 -8.425 13.539 1.00 24.22 H new ATOM 0 HG3 GLN A 90 0.387 -7.325 13.857 1.00 24.22 H new ATOM 0 HE21 GLN A 90 0.915 -9.099 10.798 1.00 31.23 H new ATOM 0 HE22 GLN A 90 -0.475 -10.176 10.963 1.00 31.23 H new ATOM 1449 N ASP A 91 2.952 -5.606 9.952 1.00 13.33 N ATOM 1450 CA ASP A 91 3.453 -5.537 8.592 1.00 2.31 C ATOM 1451 C ASP A 91 4.880 -5.010 8.540 1.00 30.33 C ATOM 1452 O ASP A 91 5.595 -5.305 7.598 1.00 25.43 O ATOM 1453 CB ASP A 91 2.523 -4.746 7.645 1.00 41.11 C ATOM 1454 CG ASP A 91 1.964 -3.458 8.219 1.00 35.34 C ATOM 1455 OD1 ASP A 91 2.681 -2.757 8.955 1.00 55.31 O ATOM 1456 OD2 ASP A 91 0.785 -3.138 7.915 1.00 63.21 O ATOM 0 H ASP A 91 2.165 -4.988 10.150 1.00 13.33 H new ATOM 0 HA ASP A 91 3.465 -6.563 8.225 1.00 2.31 H new ATOM 0 HB2 ASP A 91 3.073 -4.511 6.734 1.00 41.11 H new ATOM 0 HB3 ASP A 91 1.691 -5.389 7.358 1.00 41.11 H new ATOM 1461 N LEU A 92 5.326 -4.271 9.555 1.00 4.13 N ATOM 1462 CA LEU A 92 6.736 -3.888 9.601 1.00 33.21 C ATOM 1463 C LEU A 92 7.621 -5.131 9.590 1.00 30.24 C ATOM 1464 O LEU A 92 8.607 -5.186 8.862 1.00 12.23 O ATOM 1465 CB LEU A 92 7.066 -2.963 10.794 1.00 60.12 C ATOM 1466 CG LEU A 92 6.490 -3.336 12.165 1.00 51.21 C ATOM 1467 CD1 LEU A 92 7.341 -4.384 12.857 1.00 60.12 C ATOM 1468 CD2 LEU A 92 6.379 -2.095 13.035 1.00 33.45 C ATOM 0 H LEU A 92 4.755 -3.935 10.331 1.00 4.13 H new ATOM 0 HA LEU A 92 6.945 -3.304 8.705 1.00 33.21 H new ATOM 0 HB2 LEU A 92 8.151 -2.912 10.889 1.00 60.12 H new ATOM 0 HB3 LEU A 92 6.720 -1.960 10.546 1.00 60.12 H new ATOM 0 HG LEU A 92 5.498 -3.760 12.011 1.00 51.21 H new ATOM 0 HD11 LEU A 92 6.904 -4.625 13.826 1.00 60.12 H new ATOM 0 HD12 LEU A 92 7.381 -5.284 12.243 1.00 60.12 H new ATOM 0 HD13 LEU A 92 8.350 -3.997 13.000 1.00 60.12 H new ATOM 0 HD21 LEU A 92 5.969 -2.368 14.007 1.00 33.45 H new ATOM 0 HD22 LEU A 92 7.367 -1.655 13.168 1.00 33.45 H new ATOM 0 HD23 LEU A 92 5.721 -1.371 12.554 1.00 33.45 H new ATOM 1480 N ARG A 93 7.217 -6.152 10.337 1.00 22.12 N ATOM 1481 CA ARG A 93 7.981 -7.386 10.411 1.00 34.02 C ATOM 1482 C ARG A 93 7.942 -8.100 9.075 1.00 71.12 C ATOM 1483 O ARG A 93 8.966 -8.279 8.418 1.00 73.32 O ATOM 1484 CB ARG A 93 7.412 -8.322 11.480 1.00 70.24 C ATOM 1485 CG ARG A 93 7.285 -7.686 12.849 1.00 32.50 C ATOM 1486 CD ARG A 93 6.663 -8.638 13.853 1.00 3.54 C ATOM 1487 NE ARG A 93 6.388 -7.969 15.120 1.00 45.51 N ATOM 1488 CZ ARG A 93 6.962 -8.296 16.274 1.00 64.45 C ATOM 1489 NH1 ARG A 93 7.838 -9.296 16.330 1.00 42.05 N ATOM 1490 NH2 ARG A 93 6.660 -7.624 17.375 1.00 11.45 N ATOM 0 H ARG A 93 6.365 -6.147 10.898 1.00 22.12 H new ATOM 0 HA ARG A 93 9.007 -7.126 10.671 1.00 34.02 H new ATOM 0 HB2 ARG A 93 6.430 -8.669 11.159 1.00 70.24 H new ATOM 0 HB3 ARG A 93 8.052 -9.201 11.557 1.00 70.24 H new ATOM 0 HG2 ARG A 93 8.270 -7.379 13.200 1.00 32.50 H new ATOM 0 HG3 ARG A 93 6.677 -6.784 12.777 1.00 32.50 H new ATOM 0 HD2 ARG A 93 5.737 -9.045 13.446 1.00 3.54 H new ATOM 0 HD3 ARG A 93 7.334 -9.480 14.022 1.00 3.54 H new ATOM 0 HE ARG A 93 5.714 -7.203 15.121 1.00 45.51 H new ATOM 0 HH11 ARG A 93 8.073 -9.816 15.485 1.00 42.05 H new ATOM 0 HH12 ARG A 93 8.275 -9.542 17.218 1.00 42.05 H new ATOM 0 HH21 ARG A 93 5.988 -6.857 17.336 1.00 11.45 H new ATOM 0 HH22 ARG A 93 7.099 -7.873 18.261 1.00 11.45 H new ATOM 1504 N GLU A 94 6.743 -8.477 8.667 1.00 64.42 N ATOM 1505 CA GLU A 94 6.580 -9.332 7.500 1.00 72.30 C ATOM 1506 C GLU A 94 6.868 -8.607 6.175 1.00 62.12 C ATOM 1507 O GLU A 94 7.484 -9.192 5.279 1.00 72.12 O ATOM 1508 CB GLU A 94 5.201 -10.005 7.507 1.00 71.50 C ATOM 1509 CG GLU A 94 4.037 -9.108 7.909 1.00 60.44 C ATOM 1510 CD GLU A 94 3.061 -9.823 8.830 1.00 15.52 C ATOM 1511 OE1 GLU A 94 2.663 -10.962 8.508 1.00 43.23 O ATOM 1512 OE2 GLU A 94 2.721 -9.274 9.899 1.00 35.05 O ATOM 0 H GLU A 94 5.871 -8.207 9.122 1.00 64.42 H new ATOM 0 HA GLU A 94 7.336 -10.114 7.570 1.00 72.30 H new ATOM 0 HB2 GLU A 94 5.004 -10.402 6.511 1.00 71.50 H new ATOM 0 HB3 GLU A 94 5.234 -10.855 8.188 1.00 71.50 H new ATOM 0 HG2 GLU A 94 4.420 -8.218 8.407 1.00 60.44 H new ATOM 0 HG3 GLU A 94 3.512 -8.772 7.015 1.00 60.44 H new ATOM 1519 N SER A 95 6.462 -7.346 6.050 1.00 10.25 N ATOM 1520 CA SER A 95 6.731 -6.578 4.827 1.00 24.34 C ATOM 1521 C SER A 95 8.230 -6.349 4.667 1.00 41.34 C ATOM 1522 O SER A 95 8.770 -6.452 3.565 1.00 41.00 O ATOM 1523 CB SER A 95 5.977 -5.238 4.837 1.00 40.20 C ATOM 1524 OG SER A 95 6.368 -4.396 3.765 1.00 52.50 O ATOM 0 H SER A 95 5.951 -6.835 6.769 1.00 10.25 H new ATOM 0 HA SER A 95 6.372 -7.156 3.976 1.00 24.34 H new ATOM 0 HB2 SER A 95 4.905 -5.426 4.777 1.00 40.20 H new ATOM 0 HB3 SER A 95 6.159 -4.728 5.783 1.00 40.20 H new ATOM 0 HG SER A 95 6.132 -4.820 2.913 1.00 52.50 H new ATOM 1530 N LEU A 96 8.916 -6.060 5.768 1.00 22.04 N ATOM 1531 CA LEU A 96 10.361 -5.911 5.722 1.00 51.44 C ATOM 1532 C LEU A 96 11.031 -7.232 5.362 1.00 35.23 C ATOM 1533 O LEU A 96 12.017 -7.248 4.629 1.00 55.41 O ATOM 1534 CB LEU A 96 10.875 -5.402 7.059 1.00 43.21 C ATOM 1535 CG LEU A 96 11.273 -3.919 7.086 1.00 53.34 C ATOM 1536 CD1 LEU A 96 12.428 -3.655 6.130 1.00 64.54 C ATOM 1537 CD2 LEU A 96 10.088 -3.030 6.740 1.00 13.13 C ATOM 0 H LEU A 96 8.500 -5.926 6.689 1.00 22.04 H new ATOM 0 HA LEU A 96 10.609 -5.184 4.949 1.00 51.44 H new ATOM 0 HB2 LEU A 96 10.106 -5.569 7.813 1.00 43.21 H new ATOM 0 HB3 LEU A 96 11.740 -5.999 7.349 1.00 43.21 H new ATOM 0 HG LEU A 96 11.597 -3.678 8.098 1.00 53.34 H new ATOM 0 HD11 LEU A 96 12.694 -2.599 6.164 1.00 64.54 H new ATOM 0 HD12 LEU A 96 13.288 -4.256 6.424 1.00 64.54 H new ATOM 0 HD13 LEU A 96 12.129 -3.921 5.116 1.00 64.54 H new ATOM 0 HD21 LEU A 96 10.397 -1.985 6.766 1.00 13.13 H new ATOM 0 HD22 LEU A 96 9.727 -3.277 5.741 1.00 13.13 H new ATOM 0 HD23 LEU A 96 9.289 -3.190 7.464 1.00 13.13 H new ATOM 1549 N ARG A 97 10.485 -8.335 5.872 1.00 0.34 N ATOM 1550 CA ARG A 97 10.981 -9.671 5.535 1.00 63.22 C ATOM 1551 C ARG A 97 10.840 -9.943 4.040 1.00 3.12 C ATOM 1552 O ARG A 97 11.647 -10.664 3.451 1.00 63.04 O ATOM 1553 CB ARG A 97 10.210 -10.750 6.305 1.00 62.31 C ATOM 1554 CG ARG A 97 10.503 -10.808 7.797 1.00 42.25 C ATOM 1555 CD ARG A 97 11.930 -11.242 8.076 1.00 34.30 C ATOM 1556 NE ARG A 97 12.123 -11.578 9.485 1.00 50.10 N ATOM 1557 CZ ARG A 97 13.308 -11.626 10.092 1.00 62.13 C ATOM 1558 NH1 ARG A 97 14.415 -11.305 9.435 1.00 52.11 N ATOM 1559 NH2 ARG A 97 13.383 -11.983 11.367 1.00 42.33 N ATOM 0 H ARG A 97 9.698 -8.331 6.521 1.00 0.34 H new ATOM 0 HA ARG A 97 12.034 -9.705 5.814 1.00 63.22 H new ATOM 0 HB2 ARG A 97 9.142 -10.581 6.166 1.00 62.31 H new ATOM 0 HB3 ARG A 97 10.439 -11.721 5.867 1.00 62.31 H new ATOM 0 HG2 ARG A 97 10.328 -9.827 8.240 1.00 42.25 H new ATOM 0 HG3 ARG A 97 9.812 -11.502 8.276 1.00 42.25 H new ATOM 0 HD2 ARG A 97 12.176 -12.106 7.458 1.00 34.30 H new ATOM 0 HD3 ARG A 97 12.616 -10.443 7.794 1.00 34.30 H new ATOM 0 HE ARG A 97 11.295 -11.790 10.041 1.00 50.10 H new ATOM 0 HH11 ARG A 97 14.363 -11.019 8.457 1.00 52.11 H new ATOM 0 HH12 ARG A 97 15.318 -11.345 9.908 1.00 52.11 H new ATOM 0 HH21 ARG A 97 12.534 -12.220 11.881 1.00 42.33 H new ATOM 0 HH22 ARG A 97 14.289 -12.020 11.834 1.00 42.33 H new ATOM 1573 N ALA A 98 9.808 -9.359 3.436 1.00 60.42 N ATOM 1574 CA ALA A 98 9.486 -9.599 2.037 1.00 0.15 C ATOM 1575 C ALA A 98 10.587 -9.106 1.099 1.00 63.43 C ATOM 1576 O ALA A 98 11.352 -9.906 0.556 1.00 70.42 O ATOM 1577 CB ALA A 98 8.153 -8.954 1.688 1.00 70.14 C ATOM 0 H ALA A 98 9.175 -8.709 3.903 1.00 60.42 H new ATOM 0 HA ALA A 98 9.408 -10.677 1.897 1.00 0.15 H new ATOM 0 HB1 ALA A 98 7.922 -9.140 0.639 1.00 70.14 H new ATOM 0 HB2 ALA A 98 7.368 -9.380 2.313 1.00 70.14 H new ATOM 0 HB3 ALA A 98 8.212 -7.880 1.861 1.00 70.14 H new ATOM 1583 N ALA A 99 10.668 -7.798 0.896 1.00 25.43 N ATOM 1584 CA ALA A 99 11.655 -7.250 -0.029 1.00 72.11 C ATOM 1585 C ALA A 99 13.014 -7.066 0.633 1.00 14.31 C ATOM 1586 O ALA A 99 14.028 -7.560 0.129 1.00 25.32 O ATOM 1587 CB ALA A 99 11.180 -5.928 -0.616 1.00 22.24 C ATOM 0 H ALA A 99 10.073 -7.105 1.350 1.00 25.43 H new ATOM 0 HA ALA A 99 11.768 -7.975 -0.835 1.00 72.11 H new ATOM 0 HB1 ALA A 99 11.935 -5.542 -1.302 1.00 22.24 H new ATOM 0 HB2 ALA A 99 10.246 -6.084 -1.155 1.00 22.24 H new ATOM 0 HB3 ALA A 99 11.019 -5.210 0.188 1.00 22.24 H new ATOM 1593 N SER A 100 13.029 -6.342 1.758 1.00 12.42 N ATOM 1594 CA SER A 100 14.277 -5.961 2.431 1.00 61.10 C ATOM 1595 C SER A 100 15.135 -5.087 1.511 1.00 44.41 C ATOM 1596 O SER A 100 16.323 -4.886 1.745 1.00 40.12 O ATOM 1597 CB SER A 100 15.068 -7.205 2.849 1.00 41.42 C ATOM 1598 OG SER A 100 14.278 -8.088 3.624 1.00 12.31 O ATOM 0 H SER A 100 12.186 -6.006 2.224 1.00 12.42 H new ATOM 0 HA SER A 100 14.020 -5.392 3.324 1.00 61.10 H new ATOM 0 HB2 SER A 100 15.429 -7.723 1.961 1.00 41.42 H new ATOM 0 HB3 SER A 100 15.946 -6.904 3.421 1.00 41.42 H new ATOM 0 HG SER A 100 13.462 -7.629 3.913 1.00 12.31 H new ATOM 1604 N LEU A 101 14.500 -4.535 0.487 1.00 52.01 N ATOM 1605 CA LEU A 101 15.206 -3.849 -0.585 1.00 1.24 C ATOM 1606 C LEU A 101 15.165 -2.335 -0.380 1.00 21.11 C ATOM 1607 O LEU A 101 15.485 -1.564 -1.288 1.00 4.35 O ATOM 1608 CB LEU A 101 14.544 -4.217 -1.920 1.00 32.32 C ATOM 1609 CG LEU A 101 15.446 -4.147 -3.150 1.00 13.25 C ATOM 1610 CD1 LEU A 101 16.504 -5.239 -3.089 1.00 40.35 C ATOM 1611 CD2 LEU A 101 14.619 -4.271 -4.422 1.00 0.51 C ATOM 0 H LEU A 101 13.486 -4.550 0.376 1.00 52.01 H new ATOM 0 HA LEU A 101 16.251 -4.159 -0.586 1.00 1.24 H new ATOM 0 HB2 LEU A 101 14.147 -5.229 -1.841 1.00 32.32 H new ATOM 0 HB3 LEU A 101 13.694 -3.553 -2.078 1.00 32.32 H new ATOM 0 HG LEU A 101 15.948 -3.180 -3.162 1.00 13.25 H new ATOM 0 HD11 LEU A 101 17.141 -5.178 -3.972 1.00 40.35 H new ATOM 0 HD12 LEU A 101 17.111 -5.107 -2.194 1.00 40.35 H new ATOM 0 HD13 LEU A 101 16.019 -6.214 -3.058 1.00 40.35 H new ATOM 0 HD21 LEU A 101 15.276 -4.219 -5.290 1.00 0.51 H new ATOM 0 HD22 LEU A 101 14.092 -5.225 -4.422 1.00 0.51 H new ATOM 0 HD23 LEU A 101 13.895 -3.457 -4.466 1.00 0.51 H new ATOM 1623 N LEU A 102 14.813 -1.916 0.835 1.00 31.42 N ATOM 1624 CA LEU A 102 14.506 -0.512 1.122 1.00 51.04 C ATOM 1625 C LEU A 102 15.737 0.393 1.113 1.00 21.13 C ATOM 1626 O LEU A 102 15.657 1.548 1.523 1.00 1.11 O ATOM 1627 CB LEU A 102 13.791 -0.392 2.471 1.00 75.24 C ATOM 1628 CG LEU A 102 12.385 -0.985 2.514 1.00 0.31 C ATOM 1629 CD1 LEU A 102 11.799 -0.863 3.909 1.00 20.22 C ATOM 1630 CD2 LEU A 102 11.484 -0.295 1.498 1.00 13.23 C ATOM 0 H LEU A 102 14.733 -2.533 1.643 1.00 31.42 H new ATOM 0 HA LEU A 102 13.856 -0.171 0.316 1.00 51.04 H new ATOM 0 HB2 LEU A 102 14.399 -0.882 3.232 1.00 75.24 H new ATOM 0 HB3 LEU A 102 13.732 0.662 2.741 1.00 75.24 H new ATOM 0 HG LEU A 102 12.450 -2.042 2.257 1.00 0.31 H new ATOM 0 HD11 LEU A 102 10.797 -1.291 3.921 1.00 20.22 H new ATOM 0 HD12 LEU A 102 12.431 -1.399 4.617 1.00 20.22 H new ATOM 0 HD13 LEU A 102 11.748 0.188 4.192 1.00 20.22 H new ATOM 0 HD21 LEU A 102 10.486 -0.730 1.542 1.00 13.23 H new ATOM 0 HD22 LEU A 102 11.426 0.769 1.726 1.00 13.23 H new ATOM 0 HD23 LEU A 102 11.894 -0.430 0.497 1.00 13.23 H new ATOM 1642 N ASP A 103 16.865 -0.113 0.645 1.00 73.00 N ATOM 1643 CA ASP A 103 18.052 0.716 0.518 1.00 53.41 C ATOM 1644 C ASP A 103 18.194 1.220 -0.913 1.00 22.24 C ATOM 1645 O ASP A 103 18.845 2.232 -1.155 1.00 21.24 O ATOM 1646 CB ASP A 103 19.310 -0.048 0.943 1.00 74.04 C ATOM 1647 CG ASP A 103 19.735 -1.098 -0.062 1.00 42.23 C ATOM 1648 OD1 ASP A 103 19.070 -2.149 -0.143 1.00 62.40 O ATOM 1649 OD2 ASP A 103 20.748 -0.884 -0.761 1.00 4.20 O ATOM 0 H ASP A 103 16.984 -1.082 0.350 1.00 73.00 H new ATOM 0 HA ASP A 103 17.939 1.572 1.184 1.00 53.41 H new ATOM 0 HB2 ASP A 103 20.126 0.660 1.087 1.00 74.04 H new ATOM 0 HB3 ASP A 103 19.129 -0.527 1.905 1.00 74.04 H new ATOM 1654 N LYS A 104 17.565 0.524 -1.857 1.00 2.10 N ATOM 1655 CA LYS A 104 17.640 0.925 -3.259 1.00 43.13 C ATOM 1656 C LYS A 104 16.263 1.310 -3.805 1.00 60.14 C ATOM 1657 O LYS A 104 16.159 1.960 -4.844 1.00 15.22 O ATOM 1658 CB LYS A 104 18.283 -0.181 -4.102 1.00 12.14 C ATOM 1659 CG LYS A 104 17.531 -1.498 -4.085 1.00 22.24 C ATOM 1660 CD LYS A 104 18.462 -2.664 -4.370 1.00 32.01 C ATOM 1661 CE LYS A 104 19.432 -2.874 -3.218 1.00 5.41 C ATOM 1662 NZ LYS A 104 20.333 -4.035 -3.435 1.00 3.30 N ATOM 0 H LYS A 104 17.005 -0.310 -1.680 1.00 2.10 H new ATOM 0 HA LYS A 104 18.272 1.811 -3.322 1.00 43.13 H new ATOM 0 HB2 LYS A 104 18.363 0.165 -5.133 1.00 12.14 H new ATOM 0 HB3 LYS A 104 19.298 -0.351 -3.743 1.00 12.14 H new ATOM 0 HG2 LYS A 104 17.057 -1.637 -3.114 1.00 22.24 H new ATOM 0 HG3 LYS A 104 16.734 -1.475 -4.828 1.00 22.24 H new ATOM 0 HD2 LYS A 104 17.878 -3.571 -4.530 1.00 32.01 H new ATOM 0 HD3 LYS A 104 19.017 -2.476 -5.289 1.00 32.01 H new ATOM 0 HE2 LYS A 104 20.031 -1.974 -3.084 1.00 5.41 H new ATOM 0 HE3 LYS A 104 18.869 -3.023 -2.296 1.00 5.41 H new ATOM 0 HZ1 LYS A 104 20.974 -4.134 -2.622 1.00 3.30 H new ATOM 0 HZ2 LYS A 104 19.766 -4.901 -3.536 1.00 3.30 H new ATOM 0 HZ3 LYS A 104 20.892 -3.884 -4.299 1.00 3.30 H new ATOM 1676 N ILE A 105 15.205 0.885 -3.118 1.00 50.00 N ATOM 1677 CA ILE A 105 13.866 1.404 -3.401 1.00 33.22 C ATOM 1678 C ILE A 105 13.560 2.544 -2.438 1.00 31.33 C ATOM 1679 O ILE A 105 12.722 3.404 -2.712 1.00 53.05 O ATOM 1680 CB ILE A 105 12.772 0.316 -3.295 1.00 64.25 C ATOM 1681 CG1 ILE A 105 12.829 -0.376 -1.933 1.00 51.45 C ATOM 1682 CG2 ILE A 105 12.920 -0.692 -4.425 1.00 51.12 C ATOM 1683 CD1 ILE A 105 11.827 -1.494 -1.772 1.00 40.32 C ATOM 0 H ILE A 105 15.245 0.192 -2.371 1.00 50.00 H new ATOM 0 HA ILE A 105 13.858 1.761 -4.431 1.00 33.22 H new ATOM 0 HB ILE A 105 11.796 0.793 -3.387 1.00 64.25 H new ATOM 0 HG12 ILE A 105 13.832 -0.775 -1.781 1.00 51.45 H new ATOM 0 HG13 ILE A 105 12.660 0.366 -1.152 1.00 51.45 H new ATOM 0 HG21 ILE A 105 12.144 -1.452 -4.338 1.00 51.12 H new ATOM 0 HG22 ILE A 105 12.823 -0.181 -5.383 1.00 51.12 H new ATOM 0 HG23 ILE A 105 13.900 -1.165 -4.364 1.00 51.12 H new ATOM 0 HD11 ILE A 105 11.930 -1.935 -0.780 1.00 40.32 H new ATOM 0 HD12 ILE A 105 10.818 -1.098 -1.890 1.00 40.32 H new ATOM 0 HD13 ILE A 105 12.009 -2.257 -2.529 1.00 40.32 H new ATOM 1695 N GLY A 106 14.265 2.530 -1.310 1.00 62.32 N ATOM 1696 CA GLY A 106 14.183 3.597 -0.334 1.00 53.33 C ATOM 1697 C GLY A 106 12.802 3.786 0.247 1.00 71.21 C ATOM 1698 O GLY A 106 12.335 2.965 1.034 1.00 52.32 O ATOM 0 H GLY A 106 14.905 1.779 -1.053 1.00 62.32 H new ATOM 0 HA2 GLY A 106 14.883 3.391 0.476 1.00 53.33 H new ATOM 0 HA3 GLY A 106 14.501 4.529 -0.801 1.00 53.33 H new ATOM 1702 N GLU A 107 12.143 4.853 -0.169 1.00 53.13 N ATOM 1703 CA GLU A 107 10.876 5.264 0.418 1.00 60.41 C ATOM 1704 C GLU A 107 9.700 4.588 -0.279 1.00 0.34 C ATOM 1705 O GLU A 107 8.572 5.081 -0.230 1.00 14.34 O ATOM 1706 CB GLU A 107 10.754 6.785 0.331 1.00 43.51 C ATOM 1707 CG GLU A 107 11.933 7.510 0.957 1.00 44.02 C ATOM 1708 CD GLU A 107 11.873 9.010 0.771 1.00 62.35 C ATOM 1709 OE1 GLU A 107 12.204 9.485 -0.333 1.00 40.13 O ATOM 1710 OE2 GLU A 107 11.518 9.725 1.733 1.00 71.41 O ATOM 0 H GLU A 107 12.469 5.459 -0.922 1.00 53.13 H new ATOM 0 HA GLU A 107 10.854 4.957 1.464 1.00 60.41 H new ATOM 0 HB2 GLU A 107 10.668 7.078 -0.715 1.00 43.51 H new ATOM 0 HB3 GLU A 107 9.836 7.100 0.827 1.00 43.51 H new ATOM 0 HG2 GLU A 107 11.967 7.283 2.023 1.00 44.02 H new ATOM 0 HG3 GLU A 107 12.858 7.132 0.521 1.00 44.02 H new ATOM 1717 N ASP A 108 9.980 3.454 -0.919 1.00 3.10 N ATOM 1718 CA ASP A 108 8.950 2.653 -1.576 1.00 34.22 C ATOM 1719 C ASP A 108 7.823 2.329 -0.605 1.00 53.34 C ATOM 1720 O ASP A 108 6.671 2.685 -0.838 1.00 61.24 O ATOM 1721 CB ASP A 108 9.555 1.361 -2.129 1.00 54.12 C ATOM 1722 CG ASP A 108 8.505 0.392 -2.642 1.00 13.51 C ATOM 1723 OD1 ASP A 108 7.792 0.734 -3.601 1.00 25.51 O ATOM 1724 OD2 ASP A 108 8.412 -0.724 -2.093 1.00 55.12 O ATOM 0 H ASP A 108 10.921 3.067 -0.996 1.00 3.10 H new ATOM 0 HA ASP A 108 8.540 3.233 -2.403 1.00 34.22 H new ATOM 0 HB2 ASP A 108 10.244 1.605 -2.938 1.00 54.12 H new ATOM 0 HB3 ASP A 108 10.140 0.876 -1.348 1.00 54.12 H new ATOM 1729 N HIS A 109 8.157 1.669 0.494 1.00 52.24 N ATOM 1730 CA HIS A 109 7.174 1.408 1.530 1.00 43.23 C ATOM 1731 C HIS A 109 7.765 1.637 2.920 1.00 41.45 C ATOM 1732 O HIS A 109 8.607 0.878 3.396 1.00 33.10 O ATOM 1733 CB HIS A 109 6.548 0.004 1.383 1.00 25.43 C ATOM 1734 CG HIS A 109 7.490 -1.165 1.456 1.00 12.13 C ATOM 1735 ND1 HIS A 109 7.954 -1.689 2.637 1.00 50.31 N ATOM 1736 CD2 HIS A 109 7.984 -1.958 0.481 1.00 31.12 C ATOM 1737 CE1 HIS A 109 8.686 -2.753 2.386 1.00 12.40 C ATOM 1738 NE2 HIS A 109 8.722 -2.949 1.083 1.00 64.12 N ATOM 0 H HIS A 109 9.091 1.309 0.689 1.00 52.24 H new ATOM 0 HA HIS A 109 6.361 2.123 1.405 1.00 43.23 H new ATOM 0 HB2 HIS A 109 5.795 -0.116 2.162 1.00 25.43 H new ATOM 0 HB3 HIS A 109 6.027 -0.038 0.427 1.00 25.43 H new ATOM 0 HD2 HIS A 109 7.827 -1.836 -0.581 1.00 31.12 H new ATOM 0 HE1 HIS A 109 9.177 -3.366 3.127 1.00 12.40 H new ATOM 0 HE2 HIS A 109 9.212 -3.705 0.605 1.00 64.12 H new ATOM 1747 N ILE A 110 7.320 2.714 3.554 1.00 34.43 N ATOM 1748 CA ILE A 110 7.793 3.093 4.880 1.00 62.44 C ATOM 1749 C ILE A 110 6.611 3.186 5.843 1.00 41.14 C ATOM 1750 O ILE A 110 5.545 2.642 5.565 1.00 22.13 O ATOM 1751 CB ILE A 110 8.579 4.437 4.878 1.00 71.42 C ATOM 1752 CG1 ILE A 110 7.699 5.621 4.436 1.00 62.23 C ATOM 1753 CG2 ILE A 110 9.815 4.324 3.995 1.00 43.51 C ATOM 1754 CD1 ILE A 110 7.493 5.744 2.936 1.00 72.14 C ATOM 0 H ILE A 110 6.623 3.349 3.165 1.00 34.43 H new ATOM 0 HA ILE A 110 8.486 2.318 5.207 1.00 62.44 H new ATOM 0 HB ILE A 110 8.893 4.637 5.903 1.00 71.42 H new ATOM 0 HG12 ILE A 110 6.724 5.528 4.915 1.00 62.23 H new ATOM 0 HG13 ILE A 110 8.148 6.544 4.803 1.00 62.23 H new ATOM 0 HG21 ILE A 110 10.355 5.271 4.003 1.00 43.51 H new ATOM 0 HG22 ILE A 110 10.462 3.534 4.375 1.00 43.51 H new ATOM 0 HG23 ILE A 110 9.513 4.087 2.975 1.00 43.51 H new ATOM 0 HD11 ILE A 110 6.861 6.606 2.725 1.00 72.14 H new ATOM 0 HD12 ILE A 110 8.458 5.873 2.446 1.00 72.14 H new ATOM 0 HD13 ILE A 110 7.012 4.841 2.559 1.00 72.14 H new ATOM 1766 N PHE A 111 6.796 3.859 6.973 1.00 41.40 N ATOM 1767 CA PHE A 111 5.760 3.918 8.001 1.00 14.20 C ATOM 1768 C PHE A 111 5.406 5.352 8.388 1.00 21.23 C ATOM 1769 O PHE A 111 6.249 6.080 8.908 1.00 10.25 O ATOM 1770 CB PHE A 111 6.204 3.139 9.245 1.00 22.12 C ATOM 1771 CG PHE A 111 5.909 1.665 9.167 1.00 50.22 C ATOM 1772 CD1 PHE A 111 6.292 0.920 8.066 1.00 53.51 C ATOM 1773 CD2 PHE A 111 5.227 1.034 10.194 1.00 60.55 C ATOM 1774 CE1 PHE A 111 5.999 -0.423 7.985 1.00 71.24 C ATOM 1775 CE2 PHE A 111 4.930 -0.310 10.117 1.00 22.42 C ATOM 1776 CZ PHE A 111 5.314 -1.036 9.010 1.00 15.21 C ATOM 0 H PHE A 111 7.649 4.370 7.201 1.00 41.40 H new ATOM 0 HA PHE A 111 4.864 3.462 7.580 1.00 14.20 H new ATOM 0 HB2 PHE A 111 7.275 3.280 9.389 1.00 22.12 H new ATOM 0 HB3 PHE A 111 5.707 3.555 10.121 1.00 22.12 H new ATOM 0 HD1 PHE A 111 6.828 1.398 7.259 1.00 53.51 H new ATOM 0 HD2 PHE A 111 4.925 1.600 11.063 1.00 60.55 H new ATOM 0 HE1 PHE A 111 6.305 -0.993 7.121 1.00 71.24 H new ATOM 0 HE2 PHE A 111 4.397 -0.793 10.923 1.00 22.42 H new ATOM 0 HZ PHE A 111 5.077 -2.088 8.947 1.00 15.21 H new ATOM 1786 N MET A 112 4.147 5.725 8.127 1.00 70.03 N ATOM 1787 CA MET A 112 3.565 7.013 8.560 1.00 65.45 C ATOM 1788 C MET A 112 4.411 8.230 8.163 1.00 61.13 C ATOM 1789 O MET A 112 5.368 8.574 8.855 1.00 14.30 O ATOM 1790 CB MET A 112 3.367 6.994 10.084 1.00 41.44 C ATOM 1791 CG MET A 112 2.706 8.239 10.666 1.00 33.03 C ATOM 1792 SD MET A 112 0.912 8.272 10.436 1.00 11.32 S ATOM 1793 CE MET A 112 0.772 8.774 8.724 1.00 23.31 C ATOM 0 H MET A 112 3.494 5.140 7.605 1.00 70.03 H new ATOM 0 HA MET A 112 2.610 7.119 8.045 1.00 65.45 H new ATOM 0 HB2 MET A 112 2.763 6.125 10.346 1.00 41.44 H new ATOM 0 HB3 MET A 112 4.339 6.862 10.559 1.00 41.44 H new ATOM 0 HG2 MET A 112 2.930 8.296 11.731 1.00 33.03 H new ATOM 0 HG3 MET A 112 3.141 9.124 10.201 1.00 33.03 H new ATOM 0 HE1 MET A 112 -0.124 8.333 8.288 1.00 23.31 H new ATOM 0 HE2 MET A 112 0.707 9.861 8.668 1.00 23.31 H new ATOM 0 HE3 MET A 112 1.649 8.434 8.172 1.00 23.31 H new ATOM 1803 N THR A 113 4.049 8.898 7.064 1.00 24.43 N ATOM 1804 CA THR A 113 4.766 10.109 6.661 1.00 12.43 C ATOM 1805 C THR A 113 4.034 10.915 5.576 1.00 44.32 C ATOM 1806 O THR A 113 3.923 12.138 5.687 1.00 21.51 O ATOM 1807 CB THR A 113 6.204 9.783 6.186 1.00 65.23 C ATOM 1808 OG1 THR A 113 6.858 10.971 5.724 1.00 10.43 O ATOM 1809 CG2 THR A 113 6.204 8.742 5.075 1.00 61.50 C ATOM 0 H THR A 113 3.281 8.628 6.450 1.00 24.43 H new ATOM 0 HA THR A 113 4.812 10.731 7.555 1.00 12.43 H new ATOM 0 HB THR A 113 6.745 9.375 7.040 1.00 65.23 H new ATOM 0 HG1 THR A 113 7.766 10.751 5.428 1.00 10.43 H new ATOM 0 HG21 THR A 113 7.230 8.538 4.767 1.00 61.50 H new ATOM 0 HG22 THR A 113 5.745 7.822 5.438 1.00 61.50 H new ATOM 0 HG23 THR A 113 5.638 9.119 4.223 1.00 61.50 H new ATOM 1817 N LEU A 114 3.506 10.242 4.551 1.00 54.21 N ATOM 1818 CA LEU A 114 2.996 10.936 3.361 1.00 52.11 C ATOM 1819 C LEU A 114 1.921 12.001 3.645 1.00 30.12 C ATOM 1820 O LEU A 114 2.009 13.084 3.075 1.00 61.51 O ATOM 1821 CB LEU A 114 2.501 9.954 2.292 1.00 13.45 C ATOM 1822 CG LEU A 114 3.579 9.454 1.327 1.00 13.30 C ATOM 1823 CD1 LEU A 114 4.252 8.200 1.863 1.00 31.33 C ATOM 1824 CD2 LEU A 114 2.983 9.212 -0.050 1.00 72.20 C ATOM 0 H LEU A 114 3.420 9.226 4.518 1.00 54.21 H new ATOM 0 HA LEU A 114 3.862 11.477 2.979 1.00 52.11 H new ATOM 0 HB2 LEU A 114 2.052 9.094 2.789 1.00 13.45 H new ATOM 0 HB3 LEU A 114 1.712 10.436 1.714 1.00 13.45 H new ATOM 0 HG LEU A 114 4.345 10.224 1.237 1.00 13.30 H new ATOM 0 HD11 LEU A 114 5.013 7.866 1.158 1.00 31.33 H new ATOM 0 HD12 LEU A 114 4.718 8.419 2.824 1.00 31.33 H new ATOM 0 HD13 LEU A 114 3.508 7.414 1.992 1.00 31.33 H new ATOM 0 HD21 LEU A 114 3.761 8.857 -0.726 1.00 72.20 H new ATOM 0 HD22 LEU A 114 2.194 8.463 0.021 1.00 72.20 H new ATOM 0 HD23 LEU A 114 2.566 10.143 -0.434 1.00 72.20 H new ATOM 1836 N PRO A 115 0.896 11.741 4.497 1.00 3.31 N ATOM 1837 CA PRO A 115 -0.170 12.725 4.774 1.00 63.51 C ATOM 1838 C PRO A 115 0.356 14.142 5.014 1.00 42.43 C ATOM 1839 O PRO A 115 -0.207 15.112 4.505 1.00 35.32 O ATOM 1840 CB PRO A 115 -0.834 12.180 6.037 1.00 55.44 C ATOM 1841 CG PRO A 115 -0.682 10.709 5.920 1.00 22.35 C ATOM 1842 CD PRO A 115 0.667 10.487 5.235 1.00 21.13 C ATOM 0 HA PRO A 115 -0.844 12.829 3.924 1.00 63.51 H new ATOM 0 HB2 PRO A 115 -0.351 12.560 6.937 1.00 55.44 H new ATOM 0 HB3 PRO A 115 -1.884 12.469 6.092 1.00 55.44 H new ATOM 0 HG2 PRO A 115 -0.706 10.233 6.900 1.00 22.35 H new ATOM 0 HG3 PRO A 115 -1.494 10.276 5.336 1.00 22.35 H new ATOM 0 HD2 PRO A 115 1.458 10.300 5.961 1.00 21.13 H new ATOM 0 HD3 PRO A 115 0.639 9.628 4.565 1.00 21.13 H new ATOM 1850 N THR A 116 1.430 14.263 5.781 1.00 73.13 N ATOM 1851 CA THR A 116 2.047 15.561 6.002 1.00 13.51 C ATOM 1852 C THR A 116 3.118 15.835 4.942 1.00 54.13 C ATOM 1853 O THR A 116 3.249 16.962 4.451 1.00 64.13 O ATOM 1854 CB THR A 116 2.656 15.671 7.422 1.00 63.30 C ATOM 1855 OG1 THR A 116 3.270 16.953 7.606 1.00 4.41 O ATOM 1856 CG2 THR A 116 3.684 14.579 7.678 1.00 62.40 C ATOM 0 H THR A 116 1.888 13.485 6.256 1.00 73.13 H new ATOM 0 HA THR A 116 1.264 16.314 5.917 1.00 13.51 H new ATOM 0 HB THR A 116 1.840 15.550 8.134 1.00 63.30 H new ATOM 0 HG1 THR A 116 3.649 17.008 8.508 1.00 4.41 H new ATOM 0 HG21 THR A 116 4.089 14.689 8.684 1.00 62.40 H new ATOM 0 HG22 THR A 116 3.209 13.603 7.583 1.00 62.40 H new ATOM 0 HG23 THR A 116 4.492 14.662 6.951 1.00 62.40 H new ATOM 1864 N ALA A 117 3.851 14.791 4.568 1.00 31.04 N ATOM 1865 CA ALA A 117 4.969 14.918 3.640 1.00 34.42 C ATOM 1866 C ALA A 117 4.520 15.432 2.277 1.00 61.21 C ATOM 1867 O ALA A 117 4.900 16.526 1.870 1.00 32.14 O ATOM 1868 CB ALA A 117 5.689 13.588 3.492 1.00 52.41 C ATOM 0 H ALA A 117 3.688 13.839 4.897 1.00 31.04 H new ATOM 0 HA ALA A 117 5.659 15.652 4.057 1.00 34.42 H new ATOM 0 HB1 ALA A 117 6.521 13.700 2.796 1.00 52.41 H new ATOM 0 HB2 ALA A 117 6.069 13.270 4.463 1.00 52.41 H new ATOM 0 HB3 ALA A 117 4.995 12.839 3.111 1.00 52.41 H new ATOM 1874 N VAL A 118 3.687 14.662 1.585 1.00 24.14 N ATOM 1875 CA VAL A 118 3.314 15.007 0.217 1.00 24.33 C ATOM 1876 C VAL A 118 2.463 16.266 0.172 1.00 65.42 C ATOM 1877 O VAL A 118 2.525 17.021 -0.791 1.00 10.21 O ATOM 1878 CB VAL A 118 2.586 13.857 -0.517 1.00 12.53 C ATOM 1879 CG1 VAL A 118 3.485 12.636 -0.611 1.00 34.12 C ATOM 1880 CG2 VAL A 118 1.264 13.506 0.156 1.00 41.32 C ATOM 0 H VAL A 118 3.262 13.806 1.942 1.00 24.14 H new ATOM 0 HA VAL A 118 4.252 15.191 -0.307 1.00 24.33 H new ATOM 0 HB VAL A 118 2.355 14.200 -1.526 1.00 12.53 H new ATOM 0 HG11 VAL A 118 2.958 11.835 -1.130 1.00 34.12 H new ATOM 0 HG12 VAL A 118 4.390 12.892 -1.162 1.00 34.12 H new ATOM 0 HG13 VAL A 118 3.753 12.303 0.392 1.00 34.12 H new ATOM 0 HG21 VAL A 118 0.783 12.694 -0.389 1.00 41.32 H new ATOM 0 HG22 VAL A 118 1.451 13.193 1.183 1.00 41.32 H new ATOM 0 HG23 VAL A 118 0.612 14.380 0.156 1.00 41.32 H new ATOM 1890 N GLN A 119 1.698 16.510 1.230 1.00 30.21 N ATOM 1891 CA GLN A 119 0.886 17.719 1.314 1.00 23.02 C ATOM 1892 C GLN A 119 1.795 18.939 1.303 1.00 74.13 C ATOM 1893 O GLN A 119 1.485 19.961 0.688 1.00 55.31 O ATOM 1894 CB GLN A 119 0.030 17.692 2.581 1.00 41.33 C ATOM 1895 CG GLN A 119 -1.019 18.790 2.639 1.00 42.33 C ATOM 1896 CD GLN A 119 -1.875 18.715 3.887 1.00 42.20 C ATOM 1897 OE1 GLN A 119 -3.052 19.073 3.870 1.00 53.21 O ATOM 1898 NE2 GLN A 119 -1.286 18.278 4.990 1.00 22.24 N ATOM 0 H GLN A 119 1.623 15.891 2.037 1.00 30.21 H new ATOM 0 HA GLN A 119 0.217 17.769 0.455 1.00 23.02 H new ATOM 0 HB2 GLN A 119 -0.467 16.724 2.651 1.00 41.33 H new ATOM 0 HB3 GLN A 119 0.682 17.780 3.450 1.00 41.33 H new ATOM 0 HG2 GLN A 119 -0.525 19.761 2.600 1.00 42.33 H new ATOM 0 HG3 GLN A 119 -1.659 18.722 1.759 1.00 42.33 H new ATOM 0 HE21 GLN A 119 -0.308 17.990 4.966 1.00 22.24 H new ATOM 0 HE22 GLN A 119 -1.811 18.230 5.863 1.00 22.24 H new ATOM 1907 N ALA A 120 2.935 18.804 1.964 1.00 43.04 N ATOM 1908 CA ALA A 120 3.953 19.835 1.955 1.00 64.11 C ATOM 1909 C ALA A 120 4.698 19.840 0.623 1.00 61.43 C ATOM 1910 O ALA A 120 4.935 20.895 0.038 1.00 3.14 O ATOM 1911 CB ALA A 120 4.925 19.626 3.107 1.00 74.13 C ATOM 0 H ALA A 120 3.176 17.982 2.517 1.00 43.04 H new ATOM 0 HA ALA A 120 3.467 20.803 2.080 1.00 64.11 H new ATOM 0 HB1 ALA A 120 5.685 20.407 3.088 1.00 74.13 H new ATOM 0 HB2 ALA A 120 4.384 19.669 4.052 1.00 74.13 H new ATOM 0 HB3 ALA A 120 5.404 18.652 3.007 1.00 74.13 H new ATOM 1917 N PHE A 121 5.033 18.652 0.135 1.00 2.22 N ATOM 1918 CA PHE A 121 5.803 18.508 -1.101 1.00 71.43 C ATOM 1919 C PHE A 121 5.057 19.046 -2.323 1.00 32.04 C ATOM 1920 O PHE A 121 5.675 19.489 -3.286 1.00 15.04 O ATOM 1921 CB PHE A 121 6.167 17.037 -1.338 1.00 40.53 C ATOM 1922 CG PHE A 121 7.143 16.479 -0.338 1.00 63.11 C ATOM 1923 CD1 PHE A 121 8.090 17.294 0.261 1.00 54.45 C ATOM 1924 CD2 PHE A 121 7.121 15.130 -0.006 1.00 34.11 C ATOM 1925 CE1 PHE A 121 8.992 16.779 1.170 1.00 73.03 C ATOM 1926 CE2 PHE A 121 8.022 14.611 0.904 1.00 24.24 C ATOM 1927 CZ PHE A 121 8.957 15.437 1.493 1.00 44.40 C ATOM 0 H PHE A 121 4.783 17.767 0.577 1.00 2.22 H new ATOM 0 HA PHE A 121 6.709 19.101 -0.974 1.00 71.43 H new ATOM 0 HB2 PHE A 121 5.256 16.439 -1.313 1.00 40.53 H new ATOM 0 HB3 PHE A 121 6.589 16.934 -2.338 1.00 40.53 H new ATOM 0 HD1 PHE A 121 8.123 18.345 0.014 1.00 54.45 H new ATOM 0 HD2 PHE A 121 6.391 14.479 -0.465 1.00 34.11 H new ATOM 0 HE1 PHE A 121 9.725 17.426 1.629 1.00 73.03 H new ATOM 0 HE2 PHE A 121 7.994 13.561 1.154 1.00 24.24 H new ATOM 0 HZ PHE A 121 9.661 15.034 2.206 1.00 44.40 H new ATOM 1937 N ARG A 122 3.735 19.013 -2.294 1.00 33.02 N ATOM 1938 CA ARG A 122 2.954 19.408 -3.462 1.00 64.03 C ATOM 1939 C ARG A 122 2.805 20.924 -3.581 1.00 21.11 C ATOM 1940 O ARG A 122 2.327 21.416 -4.603 1.00 71.20 O ATOM 1941 CB ARG A 122 1.580 18.738 -3.454 1.00 72.15 C ATOM 1942 CG ARG A 122 1.621 17.222 -3.634 1.00 15.21 C ATOM 1943 CD ARG A 122 2.233 16.800 -4.966 1.00 75.23 C ATOM 1944 NE ARG A 122 3.694 16.937 -4.994 1.00 1.32 N ATOM 1945 CZ ARG A 122 4.460 16.520 -6.004 1.00 64.15 C ATOM 1946 NH1 ARG A 122 3.915 15.926 -7.058 1.00 71.31 N ATOM 1947 NH2 ARG A 122 5.774 16.684 -5.961 1.00 40.14 N ATOM 0 H ARG A 122 3.183 18.721 -1.487 1.00 33.02 H new ATOM 0 HA ARG A 122 3.508 19.068 -4.337 1.00 64.03 H new ATOM 0 HB2 ARG A 122 1.082 18.967 -2.512 1.00 72.15 H new ATOM 0 HB3 ARG A 122 0.973 19.171 -4.249 1.00 72.15 H new ATOM 0 HG2 ARG A 122 2.195 16.780 -2.820 1.00 15.21 H new ATOM 0 HG3 ARG A 122 0.608 16.825 -3.563 1.00 15.21 H new ATOM 0 HD2 ARG A 122 1.967 15.763 -5.170 1.00 75.23 H new ATOM 0 HD3 ARG A 122 1.802 17.403 -5.765 1.00 75.23 H new ATOM 0 HE ARG A 122 4.151 17.377 -4.195 1.00 1.32 H new ATOM 0 HH11 ARG A 122 2.905 15.786 -7.099 1.00 71.31 H new ATOM 0 HH12 ARG A 122 4.506 15.609 -7.827 1.00 71.31 H new ATOM 0 HH21 ARG A 122 6.206 17.131 -5.152 1.00 40.14 H new ATOM 0 HH22 ARG A 122 6.354 16.363 -6.736 1.00 40.14 H new ATOM 1961 N ARG A 123 3.194 21.674 -2.557 1.00 63.31 N ATOM 1962 CA ARG A 123 3.169 23.129 -2.673 1.00 4.42 C ATOM 1963 C ARG A 123 4.524 23.737 -2.320 1.00 23.50 C ATOM 1964 O ARG A 123 4.780 24.901 -2.621 1.00 31.24 O ATOM 1965 CB ARG A 123 2.032 23.741 -1.831 1.00 51.14 C ATOM 1966 CG ARG A 123 2.393 24.151 -0.404 1.00 3.50 C ATOM 1967 CD ARG A 123 2.633 22.963 0.510 1.00 54.41 C ATOM 1968 NE ARG A 123 2.644 23.362 1.919 1.00 73.23 N ATOM 1969 CZ ARG A 123 3.705 23.269 2.717 1.00 21.53 C ATOM 1970 NH1 ARG A 123 4.874 22.879 2.234 1.00 54.11 N ATOM 1971 NH2 ARG A 123 3.603 23.595 4.000 1.00 64.30 N ATOM 0 H ARG A 123 3.522 21.314 -1.661 1.00 63.31 H new ATOM 0 HA ARG A 123 2.966 23.374 -3.715 1.00 4.42 H new ATOM 0 HB2 ARG A 123 1.653 24.619 -2.354 1.00 51.14 H new ATOM 0 HB3 ARG A 123 1.215 23.021 -1.784 1.00 51.14 H new ATOM 0 HG2 ARG A 123 3.288 24.773 -0.426 1.00 3.50 H new ATOM 0 HG3 ARG A 123 1.590 24.763 0.007 1.00 3.50 H new ATOM 0 HD2 ARG A 123 1.856 22.216 0.349 1.00 54.41 H new ATOM 0 HD3 ARG A 123 3.584 22.494 0.256 1.00 54.41 H new ATOM 0 HE ARG A 123 1.782 23.736 2.315 1.00 73.23 H new ATOM 0 HH11 ARG A 123 4.966 22.648 1.245 1.00 54.11 H new ATOM 0 HH12 ARG A 123 5.683 22.810 2.851 1.00 54.11 H new ATOM 0 HH21 ARG A 123 2.711 23.917 4.375 1.00 64.30 H new ATOM 0 HH22 ARG A 123 4.417 23.523 4.611 1.00 64.30 H new ATOM 1985 N ARG A 124 5.388 22.920 -1.715 1.00 74.11 N ATOM 1986 CA ARG A 124 6.746 23.318 -1.327 1.00 63.03 C ATOM 1987 C ARG A 124 6.737 24.403 -0.254 1.00 42.43 C ATOM 1988 O ARG A 124 6.460 25.574 -0.579 1.00 33.13 O ATOM 1989 CB ARG A 124 7.583 23.773 -2.532 1.00 25.13 C ATOM 1990 CG ARG A 124 7.788 22.697 -3.593 1.00 61.24 C ATOM 1991 CD ARG A 124 8.072 21.327 -2.986 1.00 42.23 C ATOM 1992 NE ARG A 124 9.155 21.341 -1.997 1.00 73.14 N ATOM 1993 CZ ARG A 124 9.893 20.272 -1.696 1.00 22.02 C ATOM 1994 NH1 ARG A 124 9.730 19.138 -2.369 1.00 40.33 N ATOM 1995 NH2 ARG A 124 10.797 20.343 -0.726 1.00 23.33 N ATOM 0 H ARG A 124 5.164 21.954 -1.477 1.00 74.11 H new ATOM 0 HA ARG A 124 7.214 22.427 -0.908 1.00 63.03 H new ATOM 0 HB2 ARG A 124 7.098 24.634 -2.993 1.00 25.13 H new ATOM 0 HB3 ARG A 124 8.558 24.108 -2.177 1.00 25.13 H new ATOM 0 HG2 ARG A 124 6.899 22.636 -4.221 1.00 61.24 H new ATOM 0 HG3 ARG A 124 8.617 22.983 -4.241 1.00 61.24 H new ATOM 0 HD2 ARG A 124 7.164 20.952 -2.514 1.00 42.23 H new ATOM 0 HD3 ARG A 124 8.328 20.630 -3.784 1.00 42.23 H new ATOM 0 HE ARG A 124 9.355 22.216 -1.513 1.00 73.14 H new ATOM 0 HH11 ARG A 124 9.039 19.084 -3.118 1.00 40.33 H new ATOM 0 HH12 ARG A 124 10.296 18.322 -2.137 1.00 40.33 H new ATOM 0 HH21 ARG A 124 10.926 21.215 -0.212 1.00 23.33 H new ATOM 0 HH22 ARG A 124 11.362 19.526 -0.495 1.00 23.33 H new