USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1184 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 80 THR OG1 : rot 150:sc= -0.593 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 109 HIS : no HD1:sc= -2.27 K(o=-2.9,f=-4.2!) USER MOD Single : A 4 SER OG : rot -106:sc= 0.421 USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= -0.648! (180deg=-2.94!) USER MOD Single : A 13 SER OG : rot 75:sc= -0.241 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0.426 (180deg=0.0207) USER MOD Single : A 36 GLN : amide:sc= -0.14 K(o=-0.14,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.473 K(o=-0.47,f=-1.6) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 166:sc= -0.0112 (180deg=-0.224) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.58) USER MOD Single : A 87 HIS : no HD1:sc= 0.0786 K(o=0.079,f=-1.3) USER MOD Single : A 98 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 108 THR OG1 : rot 38:sc= 0.344 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.244 K(o=-0.24,f=-4.9!) USER MOD Single : A 121 THR OG1 : rot 84:sc= 0.338 USER MOD Single : A 123 MET CE :methyl 141:sc= -0.794 (180deg=-2.41) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -160:sc= -1.21 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.306 K(o=-0.31,f=-5.6!) USER MOD Single : A 135 MET CE :methyl -179:sc= -0.974 (180deg=-1.03) USER MOD Single : A 136 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.3) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 166:sc= -1.53 (180deg=-2.42) USER MOD Single : A 141 MET CE :methyl -156:sc= -0.0118 (180deg=-0.711) USER MOD Single : A 143 MET CE :methyl 179:sc= 0 (180deg=-0.000687) USER MOD Single : A 147 MET CE :methyl 135:sc= -0.172 (180deg=-0.805) USER MOD Single : A 153 GLN :FLIP amide:sc= -0.0093 F(o=-2.1!,f=-0.0093) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -10.105 0.435 -9.369 1.00 43.51 N ATOM 18 CA VAL A 2 -8.804 -0.061 -9.839 1.00 22.02 C ATOM 19 C VAL A 2 -8.929 -0.466 -11.325 1.00 10.00 C ATOM 20 O VAL A 2 -9.575 -1.462 -11.666 1.00 30.23 O ATOM 21 CB VAL A 2 -8.314 -1.247 -8.949 1.00 23.22 C ATOM 22 CG1 VAL A 2 -7.094 -1.978 -9.564 1.00 72.55 C ATOM 23 CG2 VAL A 2 -7.984 -0.761 -7.519 1.00 53.12 C ATOM 0 HA VAL A 2 -8.054 0.725 -9.756 1.00 22.02 H new ATOM 0 HB VAL A 2 -9.133 -1.965 -8.899 1.00 23.22 H new ATOM 0 HG11 VAL A 2 -6.791 -2.794 -8.909 1.00 72.55 H new ATOM 0 HG12 VAL A 2 -7.364 -2.379 -10.541 1.00 72.55 H new ATOM 0 HG13 VAL A 2 -6.268 -1.276 -9.676 1.00 72.55 H new ATOM 0 HG21 VAL A 2 -7.645 -1.604 -6.917 1.00 53.12 H new ATOM 0 HG22 VAL A 2 -7.198 -0.007 -7.563 1.00 53.12 H new ATOM 0 HG23 VAL A 2 -8.876 -0.328 -7.067 1.00 53.12 H new ATOM 33 N VAL A 3 -8.328 0.352 -12.198 1.00 60.52 N ATOM 34 CA VAL A 3 -8.474 0.230 -13.664 1.00 43.43 C ATOM 35 C VAL A 3 -7.554 -0.855 -14.286 1.00 52.13 C ATOM 36 O VAL A 3 -7.746 -1.220 -15.454 1.00 51.52 O ATOM 37 CB VAL A 3 -8.250 1.629 -14.358 1.00 21.11 C ATOM 38 CG1 VAL A 3 -9.426 2.592 -14.048 1.00 11.02 C ATOM 39 CG2 VAL A 3 -6.902 2.268 -13.929 1.00 1.33 C ATOM 0 H VAL A 3 -7.723 1.122 -11.912 1.00 60.52 H new ATOM 0 HA VAL A 3 -9.496 -0.102 -13.849 1.00 43.43 H new ATOM 0 HB VAL A 3 -8.213 1.458 -15.434 1.00 21.11 H new ATOM 0 HG11 VAL A 3 -9.250 3.550 -14.537 1.00 11.02 H new ATOM 0 HG12 VAL A 3 -10.356 2.161 -14.418 1.00 11.02 H new ATOM 0 HG13 VAL A 3 -9.499 2.742 -12.971 1.00 11.02 H new ATOM 0 HG21 VAL A 3 -6.781 3.230 -14.426 1.00 1.33 H new ATOM 0 HG22 VAL A 3 -6.896 2.414 -12.849 1.00 1.33 H new ATOM 0 HG23 VAL A 3 -6.081 1.609 -14.210 1.00 1.33 H new ATOM 49 N SER A 4 -6.566 -1.365 -13.513 1.00 1.12 N ATOM 50 CA SER A 4 -5.697 -2.494 -13.947 1.00 53.52 C ATOM 51 C SER A 4 -4.935 -3.114 -12.754 1.00 53.43 C ATOM 52 O SER A 4 -4.532 -2.410 -11.832 1.00 53.42 O ATOM 53 CB SER A 4 -4.679 -2.033 -15.021 1.00 42.44 C ATOM 54 OG SER A 4 -3.880 -3.113 -15.476 1.00 11.23 O ATOM 0 H SER A 4 -6.347 -1.013 -12.581 1.00 1.12 H new ATOM 0 HA SER A 4 -6.353 -3.252 -14.376 1.00 53.52 H new ATOM 0 HB2 SER A 4 -5.212 -1.593 -15.864 1.00 42.44 H new ATOM 0 HB3 SER A 4 -4.039 -1.254 -14.607 1.00 42.44 H new ATOM 0 HG SER A 4 -2.978 -3.033 -15.101 1.00 11.23 H new ATOM 60 N VAL A 5 -4.764 -4.453 -12.779 1.00 31.10 N ATOM 61 CA VAL A 5 -3.881 -5.194 -11.834 1.00 5.45 C ATOM 62 C VAL A 5 -2.856 -6.038 -12.636 1.00 44.12 C ATOM 63 O VAL A 5 -3.194 -7.074 -13.216 1.00 31.23 O ATOM 64 CB VAL A 5 -4.701 -6.117 -10.841 1.00 24.30 C ATOM 65 CG1 VAL A 5 -3.774 -7.011 -9.968 1.00 25.53 C ATOM 66 CG2 VAL A 5 -5.622 -5.270 -9.934 1.00 11.23 C ATOM 0 H VAL A 5 -5.232 -5.058 -13.454 1.00 31.10 H new ATOM 0 HA VAL A 5 -3.357 -4.460 -11.222 1.00 5.45 H new ATOM 0 HB VAL A 5 -5.313 -6.775 -11.458 1.00 24.30 H new ATOM 0 HG11 VAL A 5 -4.382 -7.626 -9.304 1.00 25.53 H new ATOM 0 HG12 VAL A 5 -3.177 -7.655 -10.613 1.00 25.53 H new ATOM 0 HG13 VAL A 5 -3.113 -6.379 -9.374 1.00 25.53 H new ATOM 0 HG21 VAL A 5 -6.174 -5.927 -9.262 1.00 11.23 H new ATOM 0 HG22 VAL A 5 -5.018 -4.576 -9.349 1.00 11.23 H new ATOM 0 HG23 VAL A 5 -6.324 -4.709 -10.551 1.00 11.23 H new ATOM 76 N ASP A 6 -1.613 -5.553 -12.686 1.00 60.23 N ATOM 77 CA ASP A 6 -0.490 -6.221 -13.366 1.00 63.30 C ATOM 78 C ASP A 6 0.399 -6.954 -12.342 1.00 11.02 C ATOM 79 O ASP A 6 0.658 -6.424 -11.263 1.00 65.43 O ATOM 80 CB ASP A 6 0.358 -5.170 -14.122 1.00 13.12 C ATOM 81 CG ASP A 6 -0.488 -4.303 -15.062 1.00 51.02 C ATOM 82 OD1 ASP A 6 -1.007 -3.259 -14.607 1.00 14.44 O ATOM 83 OD2 ASP A 6 -0.649 -4.668 -16.245 1.00 24.11 O ATOM 0 H ASP A 6 -1.350 -4.670 -12.249 1.00 60.23 H new ATOM 0 HA ASP A 6 -0.891 -6.948 -14.072 1.00 63.30 H new ATOM 0 HB2 ASP A 6 0.866 -4.530 -13.401 1.00 13.12 H new ATOM 0 HB3 ASP A 6 1.132 -5.678 -14.698 1.00 13.12 H new ATOM 88 N LYS A 7 0.861 -8.171 -12.679 1.00 34.03 N ATOM 89 CA LYS A 7 1.850 -8.897 -11.859 1.00 53.22 C ATOM 90 C LYS A 7 2.948 -9.514 -12.749 1.00 53.44 C ATOM 91 O LYS A 7 2.720 -10.519 -13.436 1.00 4.22 O ATOM 92 CB LYS A 7 1.171 -9.982 -10.986 1.00 72.42 C ATOM 93 CG LYS A 7 2.100 -10.565 -9.895 1.00 22.51 C ATOM 94 CD LYS A 7 1.332 -11.383 -8.840 1.00 73.13 C ATOM 95 CE LYS A 7 2.196 -11.724 -7.624 1.00 41.32 C ATOM 96 NZ LYS A 7 1.413 -12.407 -6.576 1.00 44.10 N ATOM 0 H LYS A 7 0.565 -8.674 -13.515 1.00 34.03 H new ATOM 0 HA LYS A 7 2.318 -8.178 -11.187 1.00 53.22 H new ATOM 0 HB2 LYS A 7 0.288 -9.555 -10.510 1.00 72.42 H new ATOM 0 HB3 LYS A 7 0.826 -10.792 -11.629 1.00 72.42 H new ATOM 0 HG2 LYS A 7 2.852 -11.199 -10.364 1.00 22.51 H new ATOM 0 HG3 LYS A 7 2.631 -9.751 -9.402 1.00 22.51 H new ATOM 0 HD2 LYS A 7 0.457 -10.820 -8.514 1.00 73.13 H new ATOM 0 HD3 LYS A 7 0.968 -12.305 -9.293 1.00 73.13 H new ATOM 0 HE2 LYS A 7 3.025 -12.361 -7.933 1.00 41.32 H new ATOM 0 HE3 LYS A 7 2.630 -10.810 -7.218 1.00 41.32 H new ATOM 0 HZ1 LYS A 7 1.438 -11.844 -5.702 1.00 44.10 H new ATOM 0 HZ2 LYS A 7 0.428 -12.512 -6.892 1.00 44.10 H new ATOM 0 HZ3 LYS A 7 1.821 -13.346 -6.395 1.00 44.10 H new ATOM 110 N ASP A 8 4.133 -8.897 -12.730 1.00 64.25 N ATOM 111 CA ASP A 8 5.300 -9.348 -13.506 1.00 53.22 C ATOM 112 C ASP A 8 6.108 -10.354 -12.666 1.00 10.34 C ATOM 113 O ASP A 8 6.971 -9.968 -11.883 1.00 52.31 O ATOM 114 CB ASP A 8 6.181 -8.134 -13.900 1.00 44.40 C ATOM 115 CG ASP A 8 5.362 -6.960 -14.449 1.00 51.25 C ATOM 116 OD1 ASP A 8 4.903 -6.118 -13.638 1.00 35.42 O ATOM 117 OD2 ASP A 8 5.161 -6.879 -15.679 1.00 54.02 O ATOM 0 H ASP A 8 4.315 -8.063 -12.172 1.00 64.25 H new ATOM 0 HA ASP A 8 4.964 -9.835 -14.421 1.00 53.22 H new ATOM 0 HB2 ASP A 8 6.745 -7.802 -13.028 1.00 44.40 H new ATOM 0 HB3 ASP A 8 6.908 -8.446 -14.650 1.00 44.40 H new ATOM 122 N VAL A 9 5.785 -11.645 -12.806 1.00 14.55 N ATOM 123 CA VAL A 9 6.404 -12.723 -12.000 1.00 73.24 C ATOM 124 C VAL A 9 7.862 -13.003 -12.454 1.00 73.21 C ATOM 125 O VAL A 9 8.705 -13.421 -11.658 1.00 12.11 O ATOM 126 CB VAL A 9 5.524 -14.028 -12.052 1.00 74.51 C ATOM 127 CG1 VAL A 9 6.047 -15.112 -11.079 1.00 24.41 C ATOM 128 CG2 VAL A 9 4.034 -13.702 -11.753 1.00 23.24 C ATOM 0 H VAL A 9 5.092 -11.979 -13.476 1.00 14.55 H new ATOM 0 HA VAL A 9 6.449 -12.388 -10.964 1.00 73.24 H new ATOM 0 HB VAL A 9 5.597 -14.428 -13.063 1.00 74.51 H new ATOM 0 HG11 VAL A 9 5.413 -15.996 -11.145 1.00 24.41 H new ATOM 0 HG12 VAL A 9 7.070 -15.378 -11.346 1.00 24.41 H new ATOM 0 HG13 VAL A 9 6.027 -14.726 -10.060 1.00 24.41 H new ATOM 0 HG21 VAL A 9 3.446 -14.619 -11.795 1.00 23.24 H new ATOM 0 HG22 VAL A 9 3.950 -13.262 -10.759 1.00 23.24 H new ATOM 0 HG23 VAL A 9 3.660 -12.997 -12.495 1.00 23.24 H new ATOM 138 N GLU A 10 8.143 -12.745 -13.740 1.00 63.02 N ATOM 139 CA GLU A 10 9.512 -12.812 -14.310 1.00 64.42 C ATOM 140 C GLU A 10 10.377 -11.604 -13.859 1.00 22.44 C ATOM 141 O GLU A 10 11.581 -11.739 -13.630 1.00 1.31 O ATOM 142 CB GLU A 10 9.421 -12.881 -15.862 1.00 22.12 C ATOM 143 CG GLU A 10 8.716 -11.672 -16.521 1.00 64.55 C ATOM 144 CD GLU A 10 8.475 -11.857 -18.025 1.00 33.21 C ATOM 145 OE1 GLU A 10 9.379 -11.566 -18.830 1.00 64.14 O ATOM 146 OE2 GLU A 10 7.373 -12.304 -18.406 1.00 1.44 O ATOM 0 H GLU A 10 7.431 -12.483 -14.422 1.00 63.02 H new ATOM 0 HA GLU A 10 10.001 -13.712 -13.937 1.00 64.42 H new ATOM 0 HB2 GLU A 10 10.429 -12.963 -16.268 1.00 22.12 H new ATOM 0 HB3 GLU A 10 8.890 -13.791 -16.141 1.00 22.12 H new ATOM 0 HG2 GLU A 10 7.760 -11.503 -16.025 1.00 64.55 H new ATOM 0 HG3 GLU A 10 9.320 -10.778 -16.364 1.00 64.55 H new ATOM 153 N ALA A 11 9.733 -10.426 -13.722 1.00 24.25 N ATOM 154 CA ALA A 11 10.400 -9.166 -13.295 1.00 43.30 C ATOM 155 C ALA A 11 10.232 -8.902 -11.776 1.00 50.34 C ATOM 156 O ALA A 11 10.658 -7.855 -11.274 1.00 71.52 O ATOM 157 CB ALA A 11 9.867 -7.985 -14.129 1.00 4.31 C ATOM 0 H ALA A 11 8.735 -10.316 -13.903 1.00 24.25 H new ATOM 0 HA ALA A 11 11.470 -9.273 -13.474 1.00 43.30 H new ATOM 0 HB1 ALA A 11 10.358 -7.065 -13.812 1.00 4.31 H new ATOM 0 HB2 ALA A 11 10.074 -8.162 -15.184 1.00 4.31 H new ATOM 0 HB3 ALA A 11 8.791 -7.891 -13.981 1.00 4.31 H new ATOM 163 N LEU A 12 9.620 -9.881 -11.069 1.00 0.53 N ATOM 164 CA LEU A 12 9.416 -9.884 -9.593 1.00 35.32 C ATOM 165 C LEU A 12 8.696 -8.618 -9.048 1.00 0.33 C ATOM 166 O LEU A 12 8.865 -8.251 -7.888 1.00 2.20 O ATOM 167 CB LEU A 12 10.775 -10.122 -8.872 1.00 4.43 C ATOM 168 CG LEU A 12 11.579 -11.372 -9.345 1.00 50.32 C ATOM 169 CD1 LEU A 12 12.902 -11.504 -8.567 1.00 54.52 C ATOM 170 CD2 LEU A 12 10.737 -12.661 -9.239 1.00 61.13 C ATOM 0 H LEU A 12 9.243 -10.716 -11.518 1.00 0.53 H new ATOM 0 HA LEU A 12 8.737 -10.708 -9.373 1.00 35.32 H new ATOM 0 HB2 LEU A 12 11.398 -9.238 -9.009 1.00 4.43 H new ATOM 0 HB3 LEU A 12 10.587 -10.217 -7.803 1.00 4.43 H new ATOM 0 HG LEU A 12 11.822 -11.229 -10.398 1.00 50.32 H new ATOM 0 HD11 LEU A 12 13.443 -12.383 -8.916 1.00 54.52 H new ATOM 0 HD12 LEU A 12 13.511 -10.615 -8.731 1.00 54.52 H new ATOM 0 HD13 LEU A 12 12.690 -11.607 -7.503 1.00 54.52 H new ATOM 0 HD21 LEU A 12 11.329 -13.511 -9.577 1.00 61.13 H new ATOM 0 HD22 LEU A 12 10.438 -12.816 -8.202 1.00 61.13 H new ATOM 0 HD23 LEU A 12 9.848 -12.567 -9.863 1.00 61.13 H new ATOM 182 N SER A 13 7.858 -7.984 -9.878 1.00 4.03 N ATOM 183 CA SER A 13 7.100 -6.768 -9.499 1.00 10.11 C ATOM 184 C SER A 13 5.580 -7.010 -9.573 1.00 21.13 C ATOM 185 O SER A 13 5.112 -7.937 -10.238 1.00 32.50 O ATOM 186 CB SER A 13 7.510 -5.577 -10.398 1.00 15.12 C ATOM 187 OG SER A 13 7.377 -5.876 -11.783 1.00 12.22 O ATOM 0 H SER A 13 7.681 -8.294 -10.834 1.00 4.03 H new ATOM 0 HA SER A 13 7.345 -6.525 -8.465 1.00 10.11 H new ATOM 0 HB2 SER A 13 6.894 -4.712 -10.154 1.00 15.12 H new ATOM 0 HB3 SER A 13 8.543 -5.303 -10.185 1.00 15.12 H new ATOM 0 HG SER A 13 6.429 -5.867 -12.030 1.00 12.22 H new ATOM 193 N PHE A 14 4.819 -6.159 -8.869 1.00 40.42 N ATOM 194 CA PHE A 14 3.345 -6.224 -8.819 1.00 3.00 C ATOM 195 C PHE A 14 2.757 -4.794 -8.824 1.00 45.40 C ATOM 196 O PHE A 14 2.825 -4.085 -7.830 1.00 35.32 O ATOM 197 CB PHE A 14 2.908 -7.017 -7.557 1.00 10.14 C ATOM 198 CG PHE A 14 1.404 -7.020 -7.304 1.00 74.33 C ATOM 199 CD1 PHE A 14 0.536 -7.660 -8.185 1.00 34.13 C ATOM 200 CD2 PHE A 14 0.860 -6.374 -6.197 1.00 41.03 C ATOM 201 CE1 PHE A 14 -0.823 -7.657 -7.971 1.00 64.41 C ATOM 202 CE2 PHE A 14 -0.498 -6.373 -5.983 1.00 60.42 C ATOM 203 CZ PHE A 14 -1.343 -7.014 -6.870 1.00 50.01 C ATOM 0 H PHE A 14 5.210 -5.399 -8.313 1.00 40.42 H new ATOM 0 HA PHE A 14 2.963 -6.744 -9.698 1.00 3.00 H new ATOM 0 HB2 PHE A 14 3.250 -8.047 -7.654 1.00 10.14 H new ATOM 0 HB3 PHE A 14 3.410 -6.595 -6.686 1.00 10.14 H new ATOM 0 HD1 PHE A 14 0.936 -8.167 -9.051 1.00 34.13 H new ATOM 0 HD2 PHE A 14 1.511 -5.869 -5.499 1.00 41.03 H new ATOM 0 HE1 PHE A 14 -1.481 -8.158 -8.665 1.00 64.41 H new ATOM 0 HE2 PHE A 14 -0.906 -5.870 -5.119 1.00 60.42 H new ATOM 0 HZ PHE A 14 -2.409 -7.010 -6.700 1.00 50.01 H new ATOM 213 N SER A 15 2.164 -4.392 -9.947 1.00 50.53 N ATOM 214 CA SER A 15 1.668 -3.018 -10.160 1.00 4.41 C ATOM 215 C SER A 15 0.128 -2.947 -10.107 1.00 65.23 C ATOM 216 O SER A 15 -0.553 -3.570 -10.916 1.00 14.22 O ATOM 217 CB SER A 15 2.188 -2.496 -11.516 1.00 3.35 C ATOM 218 OG SER A 15 1.665 -1.220 -11.826 1.00 33.23 O ATOM 0 H SER A 15 2.009 -5.009 -10.745 1.00 50.53 H new ATOM 0 HA SER A 15 2.043 -2.388 -9.353 1.00 4.41 H new ATOM 0 HB2 SER A 15 3.277 -2.446 -11.492 1.00 3.35 H new ATOM 0 HB3 SER A 15 1.918 -3.200 -12.303 1.00 3.35 H new ATOM 0 HG SER A 15 2.018 -0.923 -12.690 1.00 33.23 H new ATOM 224 N ILE A 16 -0.419 -2.174 -9.155 1.00 50.32 N ATOM 225 CA ILE A 16 -1.866 -1.885 -9.077 1.00 54.02 C ATOM 226 C ILE A 16 -2.118 -0.472 -9.618 1.00 52.21 C ATOM 227 O ILE A 16 -1.748 0.523 -8.984 1.00 32.11 O ATOM 228 CB ILE A 16 -2.413 -1.993 -7.600 1.00 71.43 C ATOM 229 CG1 ILE A 16 -2.169 -3.420 -7.039 1.00 52.30 C ATOM 230 CG2 ILE A 16 -3.921 -1.610 -7.517 1.00 31.43 C ATOM 231 CD1 ILE A 16 -2.568 -3.610 -5.586 1.00 0.42 C ATOM 0 H ILE A 16 0.127 -1.730 -8.416 1.00 50.32 H new ATOM 0 HA ILE A 16 -2.395 -2.627 -9.675 1.00 54.02 H new ATOM 0 HB ILE A 16 -1.865 -1.279 -6.985 1.00 71.43 H new ATOM 0 HG12 ILE A 16 -2.722 -4.134 -7.649 1.00 52.30 H new ATOM 0 HG13 ILE A 16 -1.111 -3.661 -7.145 1.00 52.30 H new ATOM 0 HG21 ILE A 16 -4.262 -1.696 -6.485 1.00 31.43 H new ATOM 0 HG22 ILE A 16 -4.055 -0.584 -7.859 1.00 31.43 H new ATOM 0 HG23 ILE A 16 -4.502 -2.282 -8.149 1.00 31.43 H new ATOM 0 HD11 ILE A 16 -2.361 -4.636 -5.283 1.00 0.42 H new ATOM 0 HD12 ILE A 16 -1.997 -2.925 -4.959 1.00 0.42 H new ATOM 0 HD13 ILE A 16 -3.632 -3.406 -5.471 1.00 0.42 H new ATOM 243 N VAL A 17 -2.737 -0.400 -10.796 1.00 2.13 N ATOM 244 CA VAL A 17 -3.080 0.862 -11.453 1.00 64.43 C ATOM 245 C VAL A 17 -4.545 1.208 -11.116 1.00 34.03 C ATOM 246 O VAL A 17 -5.464 0.453 -11.442 1.00 50.33 O ATOM 247 CB VAL A 17 -2.887 0.770 -13.012 1.00 22.43 C ATOM 248 CG1 VAL A 17 -3.099 2.151 -13.686 1.00 15.01 C ATOM 249 CG2 VAL A 17 -1.501 0.173 -13.367 1.00 22.14 C ATOM 0 H VAL A 17 -3.018 -1.224 -11.327 1.00 2.13 H new ATOM 0 HA VAL A 17 -2.414 1.645 -11.090 1.00 64.43 H new ATOM 0 HB VAL A 17 -3.647 0.095 -13.404 1.00 22.43 H new ATOM 0 HG11 VAL A 17 -2.959 2.056 -14.763 1.00 15.01 H new ATOM 0 HG12 VAL A 17 -4.110 2.504 -13.481 1.00 15.01 H new ATOM 0 HG13 VAL A 17 -2.377 2.865 -13.288 1.00 15.01 H new ATOM 0 HG21 VAL A 17 -1.394 0.121 -14.450 1.00 22.14 H new ATOM 0 HG22 VAL A 17 -0.716 0.807 -12.955 1.00 22.14 H new ATOM 0 HG23 VAL A 17 -1.418 -0.829 -12.945 1.00 22.14 H new ATOM 259 N ALA A 18 -4.749 2.342 -10.456 1.00 24.01 N ATOM 260 CA ALA A 18 -6.068 2.794 -9.988 1.00 43.21 C ATOM 261 C ALA A 18 -6.292 4.246 -10.418 1.00 31.04 C ATOM 262 O ALA A 18 -5.334 4.968 -10.685 1.00 14.53 O ATOM 263 CB ALA A 18 -6.152 2.642 -8.462 1.00 75.13 C ATOM 0 H ALA A 18 -3.995 2.989 -10.224 1.00 24.01 H new ATOM 0 HA ALA A 18 -6.853 2.182 -10.433 1.00 43.21 H new ATOM 0 HB1 ALA A 18 -7.130 2.977 -8.116 1.00 75.13 H new ATOM 0 HB2 ALA A 18 -6.011 1.595 -8.192 1.00 75.13 H new ATOM 0 HB3 ALA A 18 -5.375 3.245 -7.993 1.00 75.13 H new ATOM 269 N GLU A 19 -7.553 4.669 -10.496 1.00 44.10 N ATOM 270 CA GLU A 19 -7.906 6.028 -10.951 1.00 32.23 C ATOM 271 C GLU A 19 -8.973 6.615 -10.002 1.00 10.50 C ATOM 272 O GLU A 19 -9.925 5.928 -9.645 1.00 14.32 O ATOM 273 CB GLU A 19 -8.399 5.962 -12.436 1.00 22.32 C ATOM 274 CG GLU A 19 -8.141 7.229 -13.279 1.00 22.24 C ATOM 275 CD GLU A 19 -8.920 8.468 -12.800 1.00 2.35 C ATOM 276 OE1 GLU A 19 -10.143 8.541 -13.055 1.00 33.11 O ATOM 277 OE2 GLU A 19 -8.318 9.353 -12.157 1.00 23.32 O ATOM 0 H GLU A 19 -8.357 4.092 -10.250 1.00 44.10 H new ATOM 0 HA GLU A 19 -7.038 6.687 -10.922 1.00 32.23 H new ATOM 0 HB2 GLU A 19 -7.914 5.117 -12.924 1.00 22.32 H new ATOM 0 HB3 GLU A 19 -9.470 5.758 -12.436 1.00 22.32 H new ATOM 0 HG2 GLU A 19 -7.075 7.454 -13.262 1.00 22.24 H new ATOM 0 HG3 GLU A 19 -8.407 7.024 -14.316 1.00 22.24 H new ATOM 284 N PHE A 20 -8.795 7.877 -9.579 1.00 74.10 N ATOM 285 CA PHE A 20 -9.672 8.533 -8.578 1.00 15.32 C ATOM 286 C PHE A 20 -10.055 9.952 -9.040 1.00 5.41 C ATOM 287 O PHE A 20 -9.177 10.754 -9.376 1.00 24.02 O ATOM 288 CB PHE A 20 -8.965 8.591 -7.191 1.00 65.11 C ATOM 289 CG PHE A 20 -8.526 7.219 -6.679 1.00 13.50 C ATOM 290 CD1 PHE A 20 -9.473 6.279 -6.264 1.00 51.13 C ATOM 291 CD2 PHE A 20 -7.178 6.855 -6.649 1.00 54.13 C ATOM 292 CE1 PHE A 20 -9.086 5.025 -5.846 1.00 14.21 C ATOM 293 CE2 PHE A 20 -6.794 5.603 -6.221 1.00 52.43 C ATOM 294 CZ PHE A 20 -7.746 4.689 -5.821 1.00 62.13 C ATOM 0 H PHE A 20 -8.042 8.476 -9.917 1.00 74.10 H new ATOM 0 HA PHE A 20 -10.583 7.942 -8.482 1.00 15.32 H new ATOM 0 HB2 PHE A 20 -8.093 9.241 -7.262 1.00 65.11 H new ATOM 0 HB3 PHE A 20 -9.641 9.043 -6.465 1.00 65.11 H new ATOM 0 HD1 PHE A 20 -10.521 6.539 -6.271 1.00 51.13 H new ATOM 0 HD2 PHE A 20 -6.427 7.564 -6.965 1.00 54.13 H new ATOM 0 HE1 PHE A 20 -9.829 4.305 -5.538 1.00 14.21 H new ATOM 0 HE2 PHE A 20 -5.747 5.337 -6.199 1.00 52.43 H new ATOM 0 HZ PHE A 20 -7.443 3.708 -5.487 1.00 62.13 H new ATOM 304 N ASP A 21 -11.368 10.261 -9.033 1.00 21.10 N ATOM 305 CA ASP A 21 -11.888 11.577 -9.446 1.00 31.31 C ATOM 306 C ASP A 21 -11.655 12.618 -8.315 1.00 74.21 C ATOM 307 O ASP A 21 -12.519 12.826 -7.453 1.00 43.24 O ATOM 308 CB ASP A 21 -13.389 11.453 -9.824 1.00 14.53 C ATOM 309 CG ASP A 21 -13.951 12.708 -10.519 1.00 3.31 C ATOM 310 OD1 ASP A 21 -14.324 13.679 -9.825 1.00 32.43 O ATOM 311 OD2 ASP A 21 -14.029 12.730 -11.762 1.00 72.24 O ATOM 0 H ASP A 21 -12.094 9.606 -8.742 1.00 21.10 H new ATOM 0 HA ASP A 21 -11.352 11.927 -10.328 1.00 31.31 H new ATOM 0 HB2 ASP A 21 -13.521 10.593 -10.481 1.00 14.53 H new ATOM 0 HB3 ASP A 21 -13.968 11.256 -8.922 1.00 14.53 H new ATOM 316 N ALA A 22 -10.448 13.202 -8.326 1.00 61.40 N ATOM 317 CA ALA A 22 -9.972 14.205 -7.346 1.00 31.54 C ATOM 318 C ALA A 22 -8.539 14.636 -7.726 1.00 64.02 C ATOM 319 O ALA A 22 -7.901 13.982 -8.556 1.00 24.32 O ATOM 320 CB ALA A 22 -10.008 13.645 -5.906 1.00 20.25 C ATOM 0 H ALA A 22 -9.750 12.986 -9.037 1.00 61.40 H new ATOM 0 HA ALA A 22 -10.635 15.070 -7.373 1.00 31.54 H new ATOM 0 HB1 ALA A 22 -9.653 14.406 -5.211 1.00 20.25 H new ATOM 0 HB2 ALA A 22 -11.030 13.368 -5.649 1.00 20.25 H new ATOM 0 HB3 ALA A 22 -9.367 12.766 -5.841 1.00 20.25 H new ATOM 326 N ASP A 23 -8.004 15.699 -7.098 1.00 71.24 N ATOM 327 CA ASP A 23 -6.655 16.206 -7.450 1.00 23.02 C ATOM 328 C ASP A 23 -5.549 15.358 -6.781 1.00 1.33 C ATOM 329 O ASP A 23 -5.827 14.468 -5.961 1.00 44.50 O ATOM 330 CB ASP A 23 -6.496 17.706 -7.090 1.00 23.33 C ATOM 331 CG ASP A 23 -6.684 18.003 -5.597 1.00 41.41 C ATOM 332 OD1 ASP A 23 -7.828 18.268 -5.170 1.00 72.02 O ATOM 333 OD2 ASP A 23 -5.688 17.955 -4.844 1.00 31.21 O ATOM 0 H ASP A 23 -8.472 16.219 -6.356 1.00 71.24 H new ATOM 0 HA ASP A 23 -6.546 16.114 -8.531 1.00 23.02 H new ATOM 0 HB2 ASP A 23 -5.505 18.041 -7.397 1.00 23.33 H new ATOM 0 HB3 ASP A 23 -7.220 18.287 -7.661 1.00 23.33 H new ATOM 338 N VAL A 24 -4.298 15.675 -7.134 1.00 25.24 N ATOM 339 CA VAL A 24 -3.104 14.919 -6.714 1.00 3.45 C ATOM 340 C VAL A 24 -2.893 14.970 -5.184 1.00 35.45 C ATOM 341 O VAL A 24 -2.589 13.955 -4.572 1.00 74.31 O ATOM 342 CB VAL A 24 -1.833 15.450 -7.464 1.00 62.53 C ATOM 343 CG1 VAL A 24 -0.570 14.631 -7.119 1.00 11.41 C ATOM 344 CG2 VAL A 24 -2.061 15.445 -8.985 1.00 32.40 C ATOM 0 H VAL A 24 -4.079 16.475 -7.728 1.00 25.24 H new ATOM 0 HA VAL A 24 -3.266 13.875 -6.982 1.00 3.45 H new ATOM 0 HB VAL A 24 -1.668 16.473 -7.127 1.00 62.53 H new ATOM 0 HG11 VAL A 24 0.285 15.035 -7.661 1.00 11.41 H new ATOM 0 HG12 VAL A 24 -0.380 14.689 -6.047 1.00 11.41 H new ATOM 0 HG13 VAL A 24 -0.722 13.590 -7.405 1.00 11.41 H new ATOM 0 HG21 VAL A 24 -1.168 15.817 -9.488 1.00 32.40 H new ATOM 0 HG22 VAL A 24 -2.269 14.428 -9.318 1.00 32.40 H new ATOM 0 HG23 VAL A 24 -2.908 16.087 -9.228 1.00 32.40 H new ATOM 354 N LYS A 25 -3.093 16.159 -4.581 1.00 32.04 N ATOM 355 CA LYS A 25 -2.987 16.353 -3.111 1.00 15.22 C ATOM 356 C LYS A 25 -4.146 15.668 -2.346 1.00 62.25 C ATOM 357 O LYS A 25 -3.974 15.275 -1.193 1.00 15.12 O ATOM 358 CB LYS A 25 -2.907 17.873 -2.752 1.00 2.44 C ATOM 359 CG LYS A 25 -1.486 18.507 -2.886 1.00 71.32 C ATOM 360 CD LYS A 25 -0.745 18.688 -1.524 1.00 62.01 C ATOM 361 CE LYS A 25 -0.570 17.382 -0.719 1.00 54.15 C ATOM 362 NZ LYS A 25 0.086 17.615 0.590 1.00 74.01 N ATOM 0 H LYS A 25 -3.331 17.010 -5.090 1.00 32.04 H new ATOM 0 HA LYS A 25 -2.062 15.873 -2.792 1.00 15.22 H new ATOM 0 HB2 LYS A 25 -3.595 18.420 -3.396 1.00 2.44 H new ATOM 0 HB3 LYS A 25 -3.254 18.008 -1.728 1.00 2.44 H new ATOM 0 HG2 LYS A 25 -0.879 17.880 -3.539 1.00 71.32 H new ATOM 0 HG3 LYS A 25 -1.576 19.479 -3.372 1.00 71.32 H new ATOM 0 HD2 LYS A 25 0.238 19.119 -1.713 1.00 62.01 H new ATOM 0 HD3 LYS A 25 -1.296 19.405 -0.916 1.00 62.01 H new ATOM 0 HE2 LYS A 25 -1.545 16.923 -0.558 1.00 54.15 H new ATOM 0 HE3 LYS A 25 0.023 16.676 -1.300 1.00 54.15 H new ATOM 0 HZ1 LYS A 25 0.545 16.738 0.909 1.00 74.01 H new ATOM 0 HZ2 LYS A 25 0.801 18.364 0.492 1.00 74.01 H new ATOM 0 HZ3 LYS A 25 -0.627 17.907 1.289 1.00 74.01 H new ATOM 376 N ARG A 26 -5.314 15.548 -3.000 1.00 44.00 N ATOM 377 CA ARG A 26 -6.496 14.844 -2.446 1.00 51.05 C ATOM 378 C ARG A 26 -6.200 13.335 -2.260 1.00 63.34 C ATOM 379 O ARG A 26 -6.444 12.766 -1.188 1.00 43.40 O ATOM 380 CB ARG A 26 -7.747 15.067 -3.372 1.00 41.30 C ATOM 381 CG ARG A 26 -8.837 15.997 -2.788 1.00 33.02 C ATOM 382 CD ARG A 26 -9.514 15.398 -1.546 1.00 42.14 C ATOM 383 NE ARG A 26 -10.506 16.314 -0.964 1.00 14.31 N ATOM 384 CZ ARG A 26 -11.310 16.033 0.035 1.00 60.42 C ATOM 385 NH1 ARG A 26 -11.316 14.861 0.604 1.00 23.44 N ATOM 386 NH2 ARG A 26 -12.116 16.941 0.462 1.00 41.25 N ATOM 0 H ARG A 26 -5.471 15.936 -3.930 1.00 44.00 H new ATOM 0 HA ARG A 26 -6.720 15.261 -1.464 1.00 51.05 H new ATOM 0 HB2 ARG A 26 -7.408 15.482 -4.321 1.00 41.30 H new ATOM 0 HB3 ARG A 26 -8.196 14.098 -3.590 1.00 41.30 H new ATOM 0 HG2 ARG A 26 -8.391 16.957 -2.528 1.00 33.02 H new ATOM 0 HG3 ARG A 26 -9.591 16.192 -3.551 1.00 33.02 H new ATOM 0 HD2 ARG A 26 -10.000 14.460 -1.815 1.00 42.14 H new ATOM 0 HD3 ARG A 26 -8.757 15.161 -0.799 1.00 42.14 H new ATOM 0 HE ARG A 26 -10.575 17.247 -1.371 1.00 14.31 H new ATOM 0 HH11 ARG A 26 -10.684 14.131 0.275 1.00 23.44 H new ATOM 0 HH12 ARG A 26 -11.953 14.673 1.378 1.00 23.44 H new ATOM 0 HH21 ARG A 26 -12.124 17.863 0.025 1.00 41.25 H new ATOM 0 HH22 ARG A 26 -12.747 16.739 1.237 1.00 41.25 H new ATOM 400 N VAL A 27 -5.653 12.713 -3.319 1.00 33.33 N ATOM 401 CA VAL A 27 -5.265 11.285 -3.307 1.00 65.32 C ATOM 402 C VAL A 27 -3.969 11.073 -2.471 1.00 12.24 C ATOM 403 O VAL A 27 -3.781 10.027 -1.875 1.00 75.13 O ATOM 404 CB VAL A 27 -5.092 10.719 -4.770 1.00 34.20 C ATOM 405 CG1 VAL A 27 -4.889 9.177 -4.761 1.00 15.21 C ATOM 406 CG2 VAL A 27 -6.299 11.113 -5.669 1.00 35.42 C ATOM 0 H VAL A 27 -5.467 13.181 -4.206 1.00 33.33 H new ATOM 0 HA VAL A 27 -6.073 10.726 -2.834 1.00 65.32 H new ATOM 0 HB VAL A 27 -4.194 11.170 -5.192 1.00 34.20 H new ATOM 0 HG11 VAL A 27 -4.773 8.819 -5.784 1.00 15.21 H new ATOM 0 HG12 VAL A 27 -3.996 8.931 -4.187 1.00 15.21 H new ATOM 0 HG13 VAL A 27 -5.756 8.699 -4.305 1.00 15.21 H new ATOM 0 HG21 VAL A 27 -6.153 10.710 -6.671 1.00 35.42 H new ATOM 0 HG22 VAL A 27 -7.217 10.707 -5.244 1.00 35.42 H new ATOM 0 HG23 VAL A 27 -6.374 12.199 -5.722 1.00 35.42 H new ATOM 416 N TRP A 28 -3.077 12.079 -2.446 1.00 44.21 N ATOM 417 CA TRP A 28 -1.840 12.053 -1.613 1.00 41.20 C ATOM 418 C TRP A 28 -2.151 12.130 -0.099 1.00 73.41 C ATOM 419 O TRP A 28 -1.414 11.558 0.711 1.00 30.24 O ATOM 420 CB TRP A 28 -0.902 13.218 -2.020 1.00 35.52 C ATOM 421 CG TRP A 28 0.431 13.250 -1.301 1.00 74.10 C ATOM 422 CD1 TRP A 28 0.801 14.073 -0.273 1.00 31.21 C ATOM 423 CD2 TRP A 28 1.563 12.410 -1.563 1.00 52.14 C ATOM 424 NE1 TRP A 28 2.087 13.806 0.108 1.00 30.44 N ATOM 425 CE2 TRP A 28 2.578 12.793 -0.671 1.00 52.24 C ATOM 426 CE3 TRP A 28 1.820 11.379 -2.474 1.00 33.34 C ATOM 427 CZ2 TRP A 28 3.825 12.178 -0.661 1.00 43.34 C ATOM 428 CZ3 TRP A 28 3.058 10.775 -2.463 1.00 41.42 C ATOM 429 CH2 TRP A 28 4.048 11.180 -1.562 1.00 22.33 C ATOM 0 H TRP A 28 -3.183 12.932 -2.995 1.00 44.21 H new ATOM 0 HA TRP A 28 -1.345 11.099 -1.796 1.00 41.20 H new ATOM 0 HB2 TRP A 28 -0.717 13.158 -3.093 1.00 35.52 H new ATOM 0 HB3 TRP A 28 -1.418 14.160 -1.838 1.00 35.52 H new ATOM 0 HD1 TRP A 28 0.168 14.826 0.174 1.00 31.21 H new ATOM 0 HE1 TRP A 28 2.597 14.284 0.851 1.00 30.44 H new ATOM 0 HE3 TRP A 28 1.061 11.062 -3.174 1.00 33.34 H new ATOM 0 HZ2 TRP A 28 4.591 12.481 0.037 1.00 43.34 H new ATOM 0 HZ3 TRP A 28 3.267 9.977 -3.160 1.00 41.42 H new ATOM 0 HH2 TRP A 28 5.011 10.691 -1.581 1.00 22.33 H new ATOM 440 N ALA A 29 -3.231 12.846 0.263 1.00 33.00 N ATOM 441 CA ALA A 29 -3.644 13.056 1.676 1.00 23.33 C ATOM 442 C ALA A 29 -3.883 11.727 2.442 1.00 65.11 C ATOM 443 O ALA A 29 -3.720 11.675 3.659 1.00 31.03 O ATOM 444 CB ALA A 29 -4.902 13.928 1.728 1.00 73.02 C ATOM 0 H ALA A 29 -3.847 13.299 -0.412 1.00 33.00 H new ATOM 0 HA ALA A 29 -2.819 13.562 2.176 1.00 23.33 H new ATOM 0 HB1 ALA A 29 -5.198 14.077 2.766 1.00 73.02 H new ATOM 0 HB2 ALA A 29 -4.695 14.894 1.267 1.00 73.02 H new ATOM 0 HB3 ALA A 29 -5.710 13.434 1.188 1.00 73.02 H new ATOM 450 N ILE A 30 -4.258 10.659 1.707 1.00 32.35 N ATOM 451 CA ILE A 30 -4.480 9.315 2.300 1.00 22.45 C ATOM 452 C ILE A 30 -3.139 8.682 2.764 1.00 13.30 C ATOM 453 O ILE A 30 -3.114 7.897 3.691 1.00 0.20 O ATOM 454 CB ILE A 30 -5.222 8.346 1.300 1.00 33.24 C ATOM 455 CG1 ILE A 30 -4.254 7.848 0.183 1.00 70.50 C ATOM 456 CG2 ILE A 30 -6.475 9.029 0.703 1.00 71.23 C ATOM 457 CD1 ILE A 30 -4.864 7.013 -0.913 1.00 24.42 C ATOM 0 H ILE A 30 -4.415 10.697 0.700 1.00 32.35 H new ATOM 0 HA ILE A 30 -5.122 9.453 3.170 1.00 22.45 H new ATOM 0 HB ILE A 30 -5.556 7.470 1.857 1.00 33.24 H new ATOM 0 HG12 ILE A 30 -3.783 8.719 -0.273 1.00 70.50 H new ATOM 0 HG13 ILE A 30 -3.461 7.267 0.653 1.00 70.50 H new ATOM 0 HG21 ILE A 30 -6.971 8.343 0.016 1.00 71.23 H new ATOM 0 HG22 ILE A 30 -7.161 9.297 1.507 1.00 71.23 H new ATOM 0 HG23 ILE A 30 -6.177 9.929 0.165 1.00 71.23 H new ATOM 0 HD11 ILE A 30 -4.091 6.729 -1.627 1.00 24.42 H new ATOM 0 HD12 ILE A 30 -5.308 6.115 -0.482 1.00 24.42 H new ATOM 0 HD13 ILE A 30 -5.635 7.590 -1.424 1.00 24.42 H new ATOM 469 N TRP A 31 -2.034 9.030 2.081 1.00 31.23 N ATOM 470 CA TRP A 31 -0.672 8.539 2.410 1.00 73.44 C ATOM 471 C TRP A 31 0.000 9.429 3.469 1.00 32.43 C ATOM 472 O TRP A 31 0.692 8.938 4.369 1.00 15.14 O ATOM 473 CB TRP A 31 0.195 8.499 1.119 1.00 74.52 C ATOM 474 CG TRP A 31 -0.335 7.547 0.067 1.00 61.33 C ATOM 475 CD1 TRP A 31 -0.951 7.860 -1.121 1.00 5.13 C ATOM 476 CD2 TRP A 31 -0.295 6.113 0.130 1.00 1.52 C ATOM 477 NE1 TRP A 31 -1.308 6.705 -1.778 1.00 10.43 N ATOM 478 CE2 TRP A 31 -0.905 5.624 -1.034 1.00 2.21 C ATOM 479 CE3 TRP A 31 0.209 5.200 1.064 1.00 22.55 C ATOM 480 CZ2 TRP A 31 -1.038 4.259 -1.285 1.00 12.12 C ATOM 481 CZ3 TRP A 31 0.080 3.849 0.815 1.00 10.33 C ATOM 482 CH2 TRP A 31 -0.530 3.386 -0.354 1.00 0.33 C ATOM 0 H TRP A 31 -2.054 9.662 1.281 1.00 31.23 H new ATOM 0 HA TRP A 31 -0.760 7.534 2.823 1.00 73.44 H new ATOM 0 HB2 TRP A 31 0.250 9.502 0.696 1.00 74.52 H new ATOM 0 HB3 TRP A 31 1.212 8.208 1.382 1.00 74.52 H new ATOM 0 HD1 TRP A 31 -1.128 8.862 -1.484 1.00 5.13 H new ATOM 0 HE1 TRP A 31 -1.794 6.659 -2.674 1.00 10.43 H new ATOM 0 HE3 TRP A 31 0.691 5.548 1.966 1.00 22.55 H new ATOM 0 HZ2 TRP A 31 -1.524 3.900 -2.181 1.00 12.12 H new ATOM 0 HZ3 TRP A 31 0.457 3.138 1.535 1.00 10.33 H new ATOM 0 HH2 TRP A 31 -0.603 2.323 -0.529 1.00 0.33 H new ATOM 493 N GLU A 32 -0.228 10.742 3.334 1.00 10.31 N ATOM 494 CA GLU A 32 0.408 11.781 4.158 1.00 10.13 C ATOM 495 C GLU A 32 -0.151 11.787 5.602 1.00 72.34 C ATOM 496 O GLU A 32 0.605 11.858 6.576 1.00 72.11 O ATOM 497 CB GLU A 32 0.198 13.149 3.460 1.00 64.03 C ATOM 498 CG GLU A 32 0.932 14.331 4.111 1.00 74.32 C ATOM 499 CD GLU A 32 0.823 15.622 3.279 1.00 4.02 C ATOM 500 OE1 GLU A 32 1.649 15.832 2.367 1.00 24.41 O ATOM 501 OE2 GLU A 32 -0.099 16.429 3.518 1.00 32.30 O ATOM 0 H GLU A 32 -0.870 11.120 2.637 1.00 10.31 H new ATOM 0 HA GLU A 32 1.474 11.574 4.248 1.00 10.13 H new ATOM 0 HB2 GLU A 32 0.525 13.065 2.424 1.00 64.03 H new ATOM 0 HB3 GLU A 32 -0.869 13.370 3.441 1.00 64.03 H new ATOM 0 HG2 GLU A 32 0.521 14.507 5.105 1.00 74.32 H new ATOM 0 HG3 GLU A 32 1.983 14.074 4.242 1.00 74.32 H new ATOM 508 N ASP A 33 -1.485 11.703 5.717 1.00 64.14 N ATOM 509 CA ASP A 33 -2.188 11.649 7.014 1.00 44.31 C ATOM 510 C ASP A 33 -2.340 10.182 7.517 1.00 64.51 C ATOM 511 O ASP A 33 -2.978 9.368 6.838 1.00 74.43 O ATOM 512 CB ASP A 33 -3.577 12.314 6.870 1.00 45.43 C ATOM 513 CG ASP A 33 -3.502 13.824 6.620 1.00 11.42 C ATOM 514 OD1 ASP A 33 -3.358 14.239 5.454 1.00 12.51 O ATOM 515 OD2 ASP A 33 -3.608 14.600 7.597 1.00 44.33 O ATOM 0 H ASP A 33 -2.111 11.670 4.912 1.00 64.14 H new ATOM 0 HA ASP A 33 -1.597 12.190 7.753 1.00 44.31 H new ATOM 0 HB2 ASP A 33 -4.114 11.843 6.047 1.00 45.43 H new ATOM 0 HB3 ASP A 33 -4.156 12.131 7.775 1.00 45.43 H new ATOM 520 N PRO A 34 -1.753 9.825 8.716 1.00 31.42 N ATOM 521 CA PRO A 34 -1.911 8.475 9.344 1.00 54.25 C ATOM 522 C PRO A 34 -3.391 8.040 9.518 1.00 30.33 C ATOM 523 O PRO A 34 -3.732 6.871 9.322 1.00 4.05 O ATOM 524 CB PRO A 34 -1.211 8.632 10.731 1.00 60.42 C ATOM 525 CG PRO A 34 -1.025 10.114 10.917 1.00 64.50 C ATOM 526 CD PRO A 34 -0.845 10.679 9.527 1.00 33.44 C ATOM 0 HA PRO A 34 -1.479 7.695 8.717 1.00 54.25 H new ATOM 0 HB2 PRO A 34 -1.821 8.209 11.529 1.00 60.42 H new ATOM 0 HB3 PRO A 34 -0.254 8.110 10.750 1.00 60.42 H new ATOM 0 HG2 PRO A 34 -1.889 10.558 11.412 1.00 64.50 H new ATOM 0 HG3 PRO A 34 -0.157 10.325 11.541 1.00 64.50 H new ATOM 0 HD2 PRO A 34 -1.124 11.731 9.477 1.00 33.44 H new ATOM 0 HD3 PRO A 34 0.189 10.607 9.190 1.00 33.44 H new ATOM 534 N ARG A 35 -4.256 9.005 9.884 1.00 1.20 N ATOM 535 CA ARG A 35 -5.694 8.754 10.128 1.00 72.23 C ATOM 536 C ARG A 35 -6.470 8.515 8.804 1.00 63.44 C ATOM 537 O ARG A 35 -7.390 7.692 8.757 1.00 65.34 O ATOM 538 CB ARG A 35 -6.315 9.930 10.923 1.00 51.42 C ATOM 539 CG ARG A 35 -5.600 10.290 12.259 1.00 54.01 C ATOM 540 CD ARG A 35 -5.599 9.156 13.317 1.00 61.24 C ATOM 541 NE ARG A 35 -4.566 8.119 13.076 1.00 21.23 N ATOM 542 CZ ARG A 35 -3.466 7.958 13.788 1.00 14.22 C ATOM 543 NH1 ARG A 35 -3.155 8.756 14.766 1.00 74.24 N ATOM 544 NH2 ARG A 35 -2.674 6.979 13.522 1.00 72.34 N ATOM 0 H ARG A 35 -3.981 9.978 10.019 1.00 1.20 H new ATOM 0 HA ARG A 35 -5.778 7.843 10.721 1.00 72.23 H new ATOM 0 HB2 ARG A 35 -6.321 10.814 10.285 1.00 51.42 H new ATOM 0 HB3 ARG A 35 -7.355 9.688 11.142 1.00 51.42 H new ATOM 0 HG2 ARG A 35 -4.568 10.566 12.041 1.00 54.01 H new ATOM 0 HG3 ARG A 35 -6.081 11.169 12.688 1.00 54.01 H new ATOM 0 HD2 ARG A 35 -5.441 9.591 14.304 1.00 61.24 H new ATOM 0 HD3 ARG A 35 -6.581 8.683 13.331 1.00 61.24 H new ATOM 0 HE ARG A 35 -4.718 7.478 12.297 1.00 21.23 H new ATOM 0 HH11 ARG A 35 -3.769 9.535 15.003 1.00 74.24 H new ATOM 0 HH12 ARG A 35 -2.297 8.603 15.296 1.00 74.24 H new ATOM 0 HH21 ARG A 35 -2.898 6.333 12.765 1.00 72.34 H new ATOM 0 HH22 ARG A 35 -1.822 6.849 14.068 1.00 72.34 H new ATOM 558 N GLN A 36 -6.078 9.239 7.731 1.00 10.34 N ATOM 559 CA GLN A 36 -6.645 9.040 6.367 1.00 13.41 C ATOM 560 C GLN A 36 -6.119 7.745 5.724 1.00 71.11 C ATOM 561 O GLN A 36 -6.736 7.226 4.800 1.00 65.33 O ATOM 562 CB GLN A 36 -6.321 10.246 5.445 1.00 55.55 C ATOM 563 CG GLN A 36 -6.888 11.607 5.899 1.00 42.42 C ATOM 564 CD GLN A 36 -8.406 11.771 5.758 1.00 20.05 C ATOM 565 OE1 GLN A 36 -9.181 10.822 5.839 1.00 5.33 O ATOM 566 NE2 GLN A 36 -8.840 12.998 5.555 1.00 51.52 N ATOM 0 H GLN A 36 -5.369 9.970 7.779 1.00 10.34 H new ATOM 0 HA GLN A 36 -7.726 8.960 6.479 1.00 13.41 H new ATOM 0 HB2 GLN A 36 -5.238 10.334 5.361 1.00 55.55 H new ATOM 0 HB3 GLN A 36 -6.702 10.029 4.447 1.00 55.55 H new ATOM 0 HG2 GLN A 36 -6.619 11.762 6.944 1.00 42.42 H new ATOM 0 HG3 GLN A 36 -6.400 12.394 5.324 1.00 42.42 H new ATOM 0 HE21 GLN A 36 -8.176 13.770 5.491 1.00 51.52 H new ATOM 0 HE22 GLN A 36 -9.840 13.176 5.461 1.00 51.52 H new ATOM 575 N LEU A 37 -4.960 7.259 6.197 1.00 74.44 N ATOM 576 CA LEU A 37 -4.364 5.992 5.733 1.00 70.33 C ATOM 577 C LEU A 37 -5.137 4.778 6.276 1.00 60.02 C ATOM 578 O LEU A 37 -5.580 3.930 5.509 1.00 22.13 O ATOM 579 CB LEU A 37 -2.880 5.947 6.160 1.00 70.31 C ATOM 580 CG LEU A 37 -2.070 4.670 5.790 1.00 1.45 C ATOM 581 CD1 LEU A 37 -2.091 4.365 4.276 1.00 24.13 C ATOM 582 CD2 LEU A 37 -0.632 4.805 6.297 1.00 73.20 C ATOM 0 H LEU A 37 -4.408 7.732 6.912 1.00 74.44 H new ATOM 0 HA LEU A 37 -4.426 5.945 4.646 1.00 70.33 H new ATOM 0 HB2 LEU A 37 -2.376 6.806 5.718 1.00 70.31 H new ATOM 0 HB3 LEU A 37 -2.836 6.073 7.242 1.00 70.31 H new ATOM 0 HG LEU A 37 -2.553 3.824 6.279 1.00 1.45 H new ATOM 0 HD11 LEU A 37 -1.510 3.464 4.078 1.00 24.13 H new ATOM 0 HD12 LEU A 37 -3.120 4.212 3.950 1.00 24.13 H new ATOM 0 HD13 LEU A 37 -1.658 5.203 3.730 1.00 24.13 H new ATOM 0 HD21 LEU A 37 -0.069 3.909 6.036 1.00 73.20 H new ATOM 0 HD22 LEU A 37 -0.164 5.675 5.836 1.00 73.20 H new ATOM 0 HD23 LEU A 37 -0.638 4.927 7.380 1.00 73.20 H new ATOM 594 N GLU A 38 -5.349 4.739 7.605 1.00 64.20 N ATOM 595 CA GLU A 38 -6.108 3.642 8.277 1.00 34.32 C ATOM 596 C GLU A 38 -7.642 3.773 8.064 1.00 74.34 C ATOM 597 O GLU A 38 -8.421 2.926 8.511 1.00 51.51 O ATOM 598 CB GLU A 38 -5.748 3.601 9.781 1.00 53.21 C ATOM 599 CG GLU A 38 -6.111 4.875 10.570 1.00 23.41 C ATOM 600 CD GLU A 38 -5.527 4.876 11.989 1.00 72.34 C ATOM 601 OE1 GLU A 38 -4.326 5.173 12.128 1.00 32.44 O ATOM 602 OE2 GLU A 38 -6.250 4.568 12.958 1.00 51.00 O ATOM 0 H GLU A 38 -5.007 5.454 8.247 1.00 64.20 H new ATOM 0 HA GLU A 38 -5.815 2.698 7.818 1.00 34.32 H new ATOM 0 HB2 GLU A 38 -6.255 2.751 10.238 1.00 53.21 H new ATOM 0 HB3 GLU A 38 -4.677 3.423 9.879 1.00 53.21 H new ATOM 0 HG2 GLU A 38 -5.746 5.749 10.030 1.00 23.41 H new ATOM 0 HG3 GLU A 38 -7.196 4.966 10.627 1.00 23.41 H new ATOM 609 N ARG A 39 -8.047 4.852 7.364 1.00 54.15 N ATOM 610 CA ARG A 39 -9.420 5.059 6.859 1.00 71.45 C ATOM 611 C ARG A 39 -9.760 4.045 5.722 1.00 61.32 C ATOM 612 O ARG A 39 -10.937 3.798 5.433 1.00 34.21 O ATOM 613 CB ARG A 39 -9.514 6.536 6.369 1.00 43.55 C ATOM 614 CG ARG A 39 -10.781 6.985 5.600 1.00 0.34 C ATOM 615 CD ARG A 39 -12.061 7.069 6.449 1.00 23.23 C ATOM 616 NE ARG A 39 -12.714 5.758 6.652 1.00 60.43 N ATOM 617 CZ ARG A 39 -13.996 5.506 6.480 1.00 11.50 C ATOM 618 NH1 ARG A 39 -14.821 6.426 6.071 1.00 34.45 N ATOM 619 NH2 ARG A 39 -14.453 4.323 6.710 1.00 41.23 N ATOM 0 H ARG A 39 -7.417 5.619 7.129 1.00 54.15 H new ATOM 0 HA ARG A 39 -10.152 4.882 7.647 1.00 71.45 H new ATOM 0 HB2 ARG A 39 -9.411 7.181 7.242 1.00 43.55 H new ATOM 0 HB3 ARG A 39 -8.653 6.727 5.728 1.00 43.55 H new ATOM 0 HG2 ARG A 39 -10.592 7.963 5.158 1.00 0.34 H new ATOM 0 HG3 ARG A 39 -10.953 6.291 4.777 1.00 0.34 H new ATOM 0 HD2 ARG A 39 -11.817 7.500 7.420 1.00 23.23 H new ATOM 0 HD3 ARG A 39 -12.765 7.747 5.967 1.00 23.23 H new ATOM 0 HE ARG A 39 -12.122 4.983 6.950 1.00 60.43 H new ATOM 0 HH11 ARG A 39 -14.479 7.367 5.876 1.00 34.45 H new ATOM 0 HH12 ARG A 39 -15.809 6.206 5.946 1.00 34.45 H new ATOM 0 HH21 ARG A 39 -13.823 3.585 7.024 1.00 41.23 H new ATOM 0 HH22 ARG A 39 -15.445 4.125 6.578 1.00 41.23 H new ATOM 633 N TRP A 40 -8.720 3.455 5.091 1.00 10.23 N ATOM 634 CA TRP A 40 -8.896 2.457 4.001 1.00 41.44 C ATOM 635 C TRP A 40 -7.918 1.257 4.099 1.00 15.20 C ATOM 636 O TRP A 40 -8.185 0.219 3.499 1.00 21.23 O ATOM 637 CB TRP A 40 -8.746 3.145 2.619 1.00 65.40 C ATOM 638 CG TRP A 40 -7.396 3.794 2.398 1.00 40.21 C ATOM 639 CD1 TRP A 40 -7.004 5.025 2.820 1.00 0.43 C ATOM 640 CD2 TRP A 40 -6.273 3.243 1.697 1.00 10.34 C ATOM 641 NE1 TRP A 40 -5.709 5.264 2.448 1.00 75.25 N ATOM 642 CE2 TRP A 40 -5.246 4.192 1.742 1.00 53.22 C ATOM 643 CE3 TRP A 40 -6.046 2.037 1.038 1.00 42.01 C ATOM 644 CZ2 TRP A 40 -4.009 3.973 1.145 1.00 60.01 C ATOM 645 CZ3 TRP A 40 -4.827 1.819 0.444 1.00 2.54 C ATOM 646 CH2 TRP A 40 -3.824 2.782 0.498 1.00 2.41 C ATOM 0 H TRP A 40 -7.745 3.651 5.316 1.00 10.23 H new ATOM 0 HA TRP A 40 -9.902 2.052 4.115 1.00 41.44 H new ATOM 0 HB2 TRP A 40 -8.915 2.406 1.836 1.00 65.40 H new ATOM 0 HB3 TRP A 40 -9.523 3.902 2.515 1.00 65.40 H new ATOM 0 HD1 TRP A 40 -7.626 5.716 3.370 1.00 0.43 H new ATOM 0 HE1 TRP A 40 -5.176 6.107 2.663 1.00 75.25 H new ATOM 0 HE3 TRP A 40 -6.818 1.283 0.995 1.00 42.01 H new ATOM 0 HZ2 TRP A 40 -3.225 4.714 1.190 1.00 60.01 H new ATOM 0 HZ3 TRP A 40 -4.644 0.888 -0.072 1.00 2.54 H new ATOM 0 HH2 TRP A 40 -2.877 2.584 0.018 1.00 2.41 H new ATOM 657 N TRP A 41 -6.793 1.422 4.832 1.00 31.15 N ATOM 658 CA TRP A 41 -5.681 0.421 4.888 1.00 43.25 C ATOM 659 C TRP A 41 -6.176 -0.941 5.444 1.00 51.24 C ATOM 660 O TRP A 41 -6.516 -1.054 6.629 1.00 64.22 O ATOM 661 CB TRP A 41 -4.515 0.978 5.757 1.00 2.42 C ATOM 662 CG TRP A 41 -3.185 0.271 5.582 1.00 1.24 C ATOM 663 CD1 TRP A 41 -2.503 -0.478 6.503 1.00 50.02 C ATOM 664 CD2 TRP A 41 -2.376 0.259 4.398 1.00 13.14 C ATOM 665 NE1 TRP A 41 -1.315 -0.912 5.981 1.00 1.41 N ATOM 666 CE2 TRP A 41 -1.219 -0.486 4.687 1.00 14.11 C ATOM 667 CE3 TRP A 41 -2.513 0.812 3.126 1.00 24.13 C ATOM 668 CZ2 TRP A 41 -0.212 -0.688 3.750 1.00 34.15 C ATOM 669 CZ3 TRP A 41 -1.524 0.606 2.195 1.00 45.42 C ATOM 670 CH2 TRP A 41 -0.380 -0.136 2.507 1.00 10.10 C ATOM 0 H TRP A 41 -6.622 2.249 5.404 1.00 31.15 H new ATOM 0 HA TRP A 41 -5.320 0.249 3.874 1.00 43.25 H new ATOM 0 HB2 TRP A 41 -4.381 2.034 5.523 1.00 2.42 H new ATOM 0 HB3 TRP A 41 -4.805 0.919 6.806 1.00 2.42 H new ATOM 0 HD1 TRP A 41 -2.853 -0.696 7.501 1.00 50.02 H new ATOM 0 HE1 TRP A 41 -0.615 -1.464 6.477 1.00 1.41 H new ATOM 0 HE3 TRP A 41 -3.386 1.396 2.875 1.00 24.13 H new ATOM 0 HZ2 TRP A 41 0.671 -1.260 3.993 1.00 34.15 H new ATOM 0 HZ3 TRP A 41 -1.632 1.024 1.205 1.00 45.42 H new ATOM 0 HH2 TRP A 41 0.383 -0.276 1.756 1.00 10.10 H new ATOM 681 N GLY A 42 -6.240 -1.956 4.560 1.00 60.22 N ATOM 682 CA GLY A 42 -6.788 -3.280 4.903 1.00 1.23 C ATOM 683 C GLY A 42 -8.243 -3.473 4.437 1.00 30.21 C ATOM 684 O GLY A 42 -8.921 -2.498 4.092 1.00 43.31 O ATOM 0 H GLY A 42 -5.916 -1.881 3.596 1.00 60.22 H new ATOM 0 HA2 GLY A 42 -6.164 -4.052 4.453 1.00 1.23 H new ATOM 0 HA3 GLY A 42 -6.738 -3.418 5.983 1.00 1.23 H new ATOM 688 N PRO A 43 -8.762 -4.743 4.414 1.00 50.30 N ATOM 689 CA PRO A 43 -10.158 -5.032 3.979 1.00 31.31 C ATOM 690 C PRO A 43 -11.217 -4.649 5.067 1.00 61.01 C ATOM 691 O PRO A 43 -10.852 -4.442 6.233 1.00 12.05 O ATOM 692 CB PRO A 43 -10.104 -6.561 3.715 1.00 53.33 C ATOM 693 CG PRO A 43 -9.085 -7.076 4.686 1.00 54.03 C ATOM 694 CD PRO A 43 -8.037 -5.981 4.817 1.00 12.43 C ATOM 0 HA PRO A 43 -10.472 -4.452 3.111 1.00 31.31 H new ATOM 0 HB2 PRO A 43 -11.076 -7.026 3.877 1.00 53.33 H new ATOM 0 HB3 PRO A 43 -9.815 -6.776 2.686 1.00 53.33 H new ATOM 0 HG2 PRO A 43 -9.542 -7.296 5.651 1.00 54.03 H new ATOM 0 HG3 PRO A 43 -8.638 -8.003 4.327 1.00 54.03 H new ATOM 0 HD2 PRO A 43 -7.659 -5.909 5.837 1.00 12.43 H new ATOM 0 HD3 PRO A 43 -7.179 -6.170 4.172 1.00 12.43 H new ATOM 702 N PRO A 44 -12.556 -4.556 4.713 1.00 75.14 N ATOM 703 CA PRO A 44 -13.640 -4.186 5.693 1.00 71.45 C ATOM 704 C PRO A 44 -13.789 -5.191 6.881 1.00 12.51 C ATOM 705 O PRO A 44 -14.443 -4.890 7.883 1.00 52.33 O ATOM 706 CB PRO A 44 -14.924 -4.156 4.806 1.00 25.00 C ATOM 707 CG PRO A 44 -14.587 -5.030 3.630 1.00 34.12 C ATOM 708 CD PRO A 44 -13.123 -4.769 3.346 1.00 0.11 C ATOM 0 HA PRO A 44 -13.424 -3.241 6.191 1.00 71.45 H new ATOM 0 HB2 PRO A 44 -15.790 -4.536 5.348 1.00 25.00 H new ATOM 0 HB3 PRO A 44 -15.165 -3.141 4.490 1.00 25.00 H new ATOM 0 HG2 PRO A 44 -14.762 -6.081 3.858 1.00 34.12 H new ATOM 0 HG3 PRO A 44 -15.205 -4.784 2.767 1.00 34.12 H new ATOM 0 HD2 PRO A 44 -12.652 -5.611 2.839 1.00 0.11 H new ATOM 0 HD3 PRO A 44 -12.984 -3.895 2.709 1.00 0.11 H new ATOM 716 N THR A 45 -13.192 -6.383 6.731 1.00 42.20 N ATOM 717 CA THR A 45 -13.179 -7.444 7.766 1.00 0.03 C ATOM 718 C THR A 45 -11.952 -7.325 8.711 1.00 65.54 C ATOM 719 O THR A 45 -12.025 -7.708 9.885 1.00 31.13 O ATOM 720 CB THR A 45 -13.182 -8.847 7.080 1.00 45.40 C ATOM 721 OG1 THR A 45 -12.056 -8.955 6.185 1.00 35.10 O ATOM 722 CG2 THR A 45 -14.479 -9.085 6.286 1.00 23.10 C ATOM 0 H THR A 45 -12.697 -6.647 5.879 1.00 42.20 H new ATOM 0 HA THR A 45 -14.075 -7.322 8.374 1.00 0.03 H new ATOM 0 HB THR A 45 -13.114 -9.600 7.865 1.00 45.40 H new ATOM 0 HG1 THR A 45 -12.061 -9.837 5.758 1.00 35.10 H new ATOM 0 HG21 THR A 45 -14.446 -10.071 5.822 1.00 23.10 H new ATOM 0 HG22 THR A 45 -15.334 -9.030 6.960 1.00 23.10 H new ATOM 0 HG23 THR A 45 -14.577 -8.323 5.512 1.00 23.10 H new ATOM 730 N TRP A 46 -10.823 -6.801 8.182 1.00 62.15 N ATOM 731 CA TRP A 46 -9.560 -6.603 8.951 1.00 1.43 C ATOM 732 C TRP A 46 -9.084 -5.118 8.853 1.00 14.25 C ATOM 733 O TRP A 46 -8.199 -4.798 8.046 1.00 3.35 O ATOM 734 CB TRP A 46 -8.439 -7.562 8.430 1.00 40.14 C ATOM 735 CG TRP A 46 -8.671 -9.038 8.680 1.00 64.21 C ATOM 736 CD1 TRP A 46 -9.610 -9.847 8.097 1.00 22.45 C ATOM 737 CD2 TRP A 46 -7.918 -9.890 9.558 1.00 15.11 C ATOM 738 NE1 TRP A 46 -9.516 -11.119 8.594 1.00 61.13 N ATOM 739 CE2 TRP A 46 -8.480 -11.176 9.478 1.00 62.44 C ATOM 740 CE3 TRP A 46 -6.833 -9.681 10.407 1.00 4.11 C ATOM 741 CZ2 TRP A 46 -7.998 -12.248 10.221 1.00 35.54 C ATOM 742 CZ3 TRP A 46 -6.347 -10.746 11.142 1.00 12.25 C ATOM 743 CH2 TRP A 46 -6.927 -12.017 11.041 1.00 20.21 C ATOM 0 H TRP A 46 -10.756 -6.501 7.209 1.00 62.15 H new ATOM 0 HA TRP A 46 -9.760 -6.838 9.996 1.00 1.43 H new ATOM 0 HB2 TRP A 46 -8.323 -7.407 7.357 1.00 40.14 H new ATOM 0 HB3 TRP A 46 -7.496 -7.277 8.897 1.00 40.14 H new ATOM 0 HD1 TRP A 46 -10.323 -9.527 7.352 1.00 22.45 H new ATOM 0 HE1 TRP A 46 -10.124 -11.899 8.343 1.00 61.13 H new ATOM 0 HE3 TRP A 46 -6.380 -8.704 10.489 1.00 4.11 H new ATOM 0 HZ2 TRP A 46 -8.452 -13.226 10.154 1.00 35.54 H new ATOM 0 HZ3 TRP A 46 -5.507 -10.596 11.804 1.00 12.25 H new ATOM 0 HH2 TRP A 46 -6.521 -12.831 11.622 1.00 20.21 H new ATOM 754 N PRO A 47 -9.701 -4.172 9.638 1.00 24.44 N ATOM 755 CA PRO A 47 -9.280 -2.745 9.650 1.00 63.10 C ATOM 756 C PRO A 47 -7.932 -2.521 10.396 1.00 11.21 C ATOM 757 O PRO A 47 -7.748 -2.991 11.530 1.00 13.54 O ATOM 758 CB PRO A 47 -10.462 -2.042 10.372 1.00 62.02 C ATOM 759 CG PRO A 47 -11.025 -3.098 11.285 1.00 25.23 C ATOM 760 CD PRO A 47 -10.870 -4.408 10.537 1.00 31.43 C ATOM 0 HA PRO A 47 -9.090 -2.357 8.649 1.00 63.10 H new ATOM 0 HB2 PRO A 47 -10.123 -1.171 10.933 1.00 62.02 H new ATOM 0 HB3 PRO A 47 -11.210 -1.692 9.661 1.00 62.02 H new ATOM 0 HG2 PRO A 47 -10.489 -3.122 12.234 1.00 25.23 H new ATOM 0 HG3 PRO A 47 -12.072 -2.900 11.515 1.00 25.23 H new ATOM 0 HD2 PRO A 47 -10.688 -5.238 11.219 1.00 31.43 H new ATOM 0 HD3 PRO A 47 -11.768 -4.653 9.969 1.00 31.43 H new ATOM 768 N ALA A 48 -6.984 -1.805 9.751 1.00 40.23 N ATOM 769 CA ALA A 48 -5.672 -1.491 10.355 1.00 33.04 C ATOM 770 C ALA A 48 -5.733 -0.219 11.228 1.00 33.44 C ATOM 771 O ALA A 48 -6.551 0.669 10.988 1.00 41.12 O ATOM 772 CB ALA A 48 -4.601 -1.343 9.269 1.00 72.03 C ATOM 0 H ALA A 48 -7.105 -1.433 8.809 1.00 40.23 H new ATOM 0 HA ALA A 48 -5.403 -2.324 11.004 1.00 33.04 H new ATOM 0 HB1 ALA A 48 -3.642 -1.112 9.733 1.00 72.03 H new ATOM 0 HB2 ALA A 48 -4.518 -2.275 8.710 1.00 72.03 H new ATOM 0 HB3 ALA A 48 -4.880 -0.537 8.591 1.00 72.03 H new ATOM 778 N THR A 49 -4.862 -0.153 12.248 1.00 65.52 N ATOM 779 CA THR A 49 -4.733 1.021 13.147 1.00 21.22 C ATOM 780 C THR A 49 -3.243 1.349 13.369 1.00 12.41 C ATOM 781 O THR A 49 -2.486 0.496 13.847 1.00 31.24 O ATOM 782 CB THR A 49 -5.435 0.758 14.524 1.00 52.22 C ATOM 783 OG1 THR A 49 -6.814 0.406 14.310 1.00 75.31 O ATOM 784 CG2 THR A 49 -5.368 1.981 15.463 1.00 21.10 C ATOM 0 H THR A 49 -4.222 -0.913 12.479 1.00 65.52 H new ATOM 0 HA THR A 49 -5.225 1.870 12.673 1.00 21.22 H new ATOM 0 HB THR A 49 -4.900 -0.062 15.003 1.00 52.22 H new ATOM 0 HG1 THR A 49 -7.247 0.241 15.173 1.00 75.31 H new ATOM 0 HG21 THR A 49 -5.868 1.746 16.402 1.00 21.10 H new ATOM 0 HG22 THR A 49 -4.326 2.232 15.660 1.00 21.10 H new ATOM 0 HG23 THR A 49 -5.862 2.830 14.991 1.00 21.10 H new ATOM 792 N PHE A 50 -2.820 2.579 13.012 1.00 44.55 N ATOM 793 CA PHE A 50 -1.405 3.009 13.104 1.00 30.32 C ATOM 794 C PHE A 50 -1.092 3.636 14.474 1.00 3.41 C ATOM 795 O PHE A 50 -1.550 4.737 14.786 1.00 12.12 O ATOM 796 CB PHE A 50 -1.051 3.990 11.948 1.00 51.22 C ATOM 797 CG PHE A 50 -0.877 3.290 10.605 1.00 65.23 C ATOM 798 CD1 PHE A 50 -1.980 2.841 9.880 1.00 41.04 C ATOM 799 CD2 PHE A 50 0.397 3.050 10.084 1.00 71.13 C ATOM 800 CE1 PHE A 50 -1.815 2.173 8.683 1.00 2.23 C ATOM 801 CE2 PHE A 50 0.561 2.388 8.885 1.00 1.44 C ATOM 802 CZ PHE A 50 -0.543 1.948 8.184 1.00 10.11 C ATOM 0 H PHE A 50 -3.445 3.301 12.653 1.00 44.55 H new ATOM 0 HA PHE A 50 -0.782 2.121 13.002 1.00 30.32 H new ATOM 0 HB2 PHE A 50 -1.837 4.740 11.861 1.00 51.22 H new ATOM 0 HB3 PHE A 50 -0.132 4.520 12.197 1.00 51.22 H new ATOM 0 HD1 PHE A 50 -2.976 3.018 10.259 1.00 41.04 H new ATOM 0 HD2 PHE A 50 1.266 3.388 10.628 1.00 71.13 H new ATOM 0 HE1 PHE A 50 -2.679 1.826 8.135 1.00 2.23 H new ATOM 0 HE2 PHE A 50 1.553 2.214 8.495 1.00 1.44 H new ATOM 0 HZ PHE A 50 -0.415 1.428 7.246 1.00 10.11 H new ATOM 812 N GLU A 51 -0.313 2.907 15.286 1.00 3.15 N ATOM 813 CA GLU A 51 0.272 3.422 16.541 1.00 21.22 C ATOM 814 C GLU A 51 1.389 4.418 16.235 1.00 31.11 C ATOM 815 O GLU A 51 1.563 5.427 16.928 1.00 11.23 O ATOM 816 CB GLU A 51 0.816 2.244 17.394 1.00 55.01 C ATOM 817 CG GLU A 51 -0.220 1.129 17.670 1.00 63.03 C ATOM 818 CD GLU A 51 -1.523 1.639 18.321 1.00 75.40 C ATOM 819 OE1 GLU A 51 -1.565 1.772 19.562 1.00 11.20 O ATOM 820 OE2 GLU A 51 -2.498 1.931 17.593 1.00 24.14 O ATOM 0 H GLU A 51 -0.067 1.936 15.093 1.00 3.15 H new ATOM 0 HA GLU A 51 -0.504 3.937 17.107 1.00 21.22 H new ATOM 0 HB2 GLU A 51 1.675 1.808 16.885 1.00 55.01 H new ATOM 0 HB3 GLU A 51 1.175 2.635 18.346 1.00 55.01 H new ATOM 0 HG2 GLU A 51 -0.464 0.632 16.731 1.00 63.03 H new ATOM 0 HG3 GLU A 51 0.231 0.379 18.320 1.00 63.03 H new ATOM 827 N THR A 52 2.146 4.113 15.181 1.00 35.12 N ATOM 828 CA THR A 52 3.234 4.963 14.698 1.00 71.12 C ATOM 829 C THR A 52 3.081 5.176 13.181 1.00 32.14 C ATOM 830 O THR A 52 2.667 4.252 12.472 1.00 23.44 O ATOM 831 CB THR A 52 4.618 4.296 15.005 1.00 73.43 C ATOM 832 OG1 THR A 52 4.600 3.726 16.324 1.00 11.22 O ATOM 833 CG2 THR A 52 5.762 5.308 14.931 1.00 53.32 C ATOM 0 H THR A 52 2.020 3.262 14.634 1.00 35.12 H new ATOM 0 HA THR A 52 3.189 5.926 15.207 1.00 71.12 H new ATOM 0 HB THR A 52 4.783 3.525 14.253 1.00 73.43 H new ATOM 0 HG1 THR A 52 5.466 3.308 16.512 1.00 11.22 H new ATOM 0 HG21 THR A 52 6.705 4.808 15.150 1.00 53.32 H new ATOM 0 HG22 THR A 52 5.803 5.738 13.930 1.00 53.32 H new ATOM 0 HG23 THR A 52 5.594 6.101 15.660 1.00 53.32 H new ATOM 841 N HIS A 53 3.360 6.397 12.704 1.00 62.02 N ATOM 842 CA HIS A 53 3.427 6.707 11.264 1.00 15.05 C ATOM 843 C HIS A 53 4.292 7.966 11.045 1.00 63.33 C ATOM 844 O HIS A 53 3.802 9.103 11.098 1.00 33.14 O ATOM 845 CB HIS A 53 2.000 6.867 10.670 1.00 50.40 C ATOM 846 CG HIS A 53 1.949 7.167 9.185 1.00 72.52 C ATOM 847 ND1 HIS A 53 1.804 8.453 8.721 1.00 24.11 N ATOM 848 CD2 HIS A 53 2.006 6.326 8.122 1.00 45.42 C ATOM 849 CE1 HIS A 53 1.775 8.368 7.407 1.00 33.21 C ATOM 850 NE2 HIS A 53 1.893 7.103 6.996 1.00 25.54 N ATOM 0 H HIS A 53 3.546 7.200 13.304 1.00 62.02 H new ATOM 0 HA HIS A 53 3.898 5.879 10.735 1.00 15.05 H new ATOM 0 HB2 HIS A 53 1.440 5.951 10.859 1.00 50.40 H new ATOM 0 HB3 HIS A 53 1.489 7.668 11.204 1.00 50.40 H new ATOM 0 HD2 HIS A 53 2.119 5.252 8.155 1.00 45.42 H new ATOM 0 HE1 HIS A 53 1.669 9.215 6.745 1.00 33.21 H new ATOM 0 HE2 HIS A 53 1.898 6.776 6.030 1.00 25.54 H new ATOM 858 N GLU A 54 5.603 7.743 10.861 1.00 71.23 N ATOM 859 CA GLU A 54 6.582 8.815 10.618 1.00 50.32 C ATOM 860 C GLU A 54 6.703 9.026 9.104 1.00 63.52 C ATOM 861 O GLU A 54 7.463 8.312 8.445 1.00 51.55 O ATOM 862 CB GLU A 54 7.971 8.445 11.228 1.00 71.43 C ATOM 863 CG GLU A 54 7.924 7.835 12.640 1.00 23.53 C ATOM 864 CD GLU A 54 7.259 8.734 13.700 1.00 3.31 C ATOM 865 OE1 GLU A 54 7.960 9.576 14.298 1.00 3.05 O ATOM 866 OE2 GLU A 54 6.040 8.591 13.947 1.00 21.22 O ATOM 0 H GLU A 54 6.016 6.810 10.877 1.00 71.23 H new ATOM 0 HA GLU A 54 6.245 9.734 11.097 1.00 50.32 H new ATOM 0 HB2 GLU A 54 8.467 7.740 10.561 1.00 71.43 H new ATOM 0 HB3 GLU A 54 8.588 9.343 11.258 1.00 71.43 H new ATOM 0 HG2 GLU A 54 7.386 6.888 12.596 1.00 23.53 H new ATOM 0 HG3 GLU A 54 8.942 7.609 12.959 1.00 23.53 H new ATOM 873 N PHE A 55 5.910 9.963 8.549 1.00 33.41 N ATOM 874 CA PHE A 55 5.889 10.251 7.109 1.00 1.22 C ATOM 875 C PHE A 55 7.121 11.111 6.693 1.00 11.53 C ATOM 876 O PHE A 55 6.996 12.279 6.303 1.00 2.33 O ATOM 877 CB PHE A 55 4.546 10.939 6.732 1.00 14.41 C ATOM 878 CG PHE A 55 4.250 10.919 5.230 1.00 40.44 C ATOM 879 CD1 PHE A 55 3.945 9.719 4.601 1.00 2.00 C ATOM 880 CD2 PHE A 55 4.287 12.078 4.455 1.00 74.20 C ATOM 881 CE1 PHE A 55 3.680 9.667 3.247 1.00 3.42 C ATOM 882 CE2 PHE A 55 4.020 12.026 3.098 1.00 35.25 C ATOM 883 CZ PHE A 55 3.715 10.818 2.497 1.00 11.42 C ATOM 0 H PHE A 55 5.267 10.540 9.091 1.00 33.41 H new ATOM 0 HA PHE A 55 5.958 9.314 6.556 1.00 1.22 H new ATOM 0 HB2 PHE A 55 3.732 10.444 7.261 1.00 14.41 H new ATOM 0 HB3 PHE A 55 4.567 11.973 7.076 1.00 14.41 H new ATOM 0 HD1 PHE A 55 3.915 8.809 5.182 1.00 2.00 H new ATOM 0 HD2 PHE A 55 4.526 13.024 4.918 1.00 74.20 H new ATOM 0 HE1 PHE A 55 3.445 8.723 2.778 1.00 3.42 H new ATOM 0 HE2 PHE A 55 4.050 12.930 2.507 1.00 35.25 H new ATOM 0 HZ PHE A 55 3.504 10.779 1.438 1.00 11.42 H new ATOM 893 N THR A 56 8.316 10.507 6.814 1.00 63.15 N ATOM 894 CA THR A 56 9.605 11.122 6.415 1.00 32.42 C ATOM 895 C THR A 56 10.534 10.073 5.752 1.00 41.51 C ATOM 896 O THR A 56 10.301 8.865 5.855 1.00 24.21 O ATOM 897 CB THR A 56 10.333 11.784 7.639 1.00 30.10 C ATOM 898 OG1 THR A 56 11.559 12.409 7.219 1.00 72.01 O ATOM 899 CG2 THR A 56 10.632 10.773 8.761 1.00 64.13 C ATOM 0 H THR A 56 8.421 9.567 7.196 1.00 63.15 H new ATOM 0 HA THR A 56 9.379 11.904 5.690 1.00 32.42 H new ATOM 0 HB THR A 56 9.653 12.536 8.039 1.00 30.10 H new ATOM 0 HG1 THR A 56 11.999 12.818 7.993 1.00 72.01 H new ATOM 0 HG21 THR A 56 11.136 11.281 9.584 1.00 64.13 H new ATOM 0 HG22 THR A 56 9.698 10.340 9.119 1.00 64.13 H new ATOM 0 HG23 THR A 56 11.274 9.981 8.376 1.00 64.13 H new ATOM 907 N VAL A 57 11.580 10.561 5.068 1.00 54.21 N ATOM 908 CA VAL A 57 12.573 9.716 4.377 1.00 53.20 C ATOM 909 C VAL A 57 13.450 8.953 5.409 1.00 35.13 C ATOM 910 O VAL A 57 14.233 9.564 6.143 1.00 64.12 O ATOM 911 CB VAL A 57 13.463 10.590 3.423 1.00 3.22 C ATOM 912 CG1 VAL A 57 14.516 9.737 2.680 1.00 42.32 C ATOM 913 CG2 VAL A 57 12.579 11.389 2.424 1.00 44.40 C ATOM 0 H VAL A 57 11.764 11.560 4.977 1.00 54.21 H new ATOM 0 HA VAL A 57 12.045 8.980 3.772 1.00 53.20 H new ATOM 0 HB VAL A 57 14.008 11.303 4.042 1.00 3.22 H new ATOM 0 HG11 VAL A 57 15.111 10.379 2.030 1.00 42.32 H new ATOM 0 HG12 VAL A 57 15.168 9.250 3.406 1.00 42.32 H new ATOM 0 HG13 VAL A 57 14.013 8.979 2.079 1.00 42.32 H new ATOM 0 HG21 VAL A 57 13.216 11.988 1.773 1.00 44.40 H new ATOM 0 HG22 VAL A 57 11.993 10.695 1.821 1.00 44.40 H new ATOM 0 HG23 VAL A 57 11.907 12.045 2.977 1.00 44.40 H new ATOM 923 N GLY A 58 13.283 7.619 5.463 1.00 74.54 N ATOM 924 CA GLY A 58 13.955 6.769 6.467 1.00 40.23 C ATOM 925 C GLY A 58 13.086 6.480 7.702 1.00 64.14 C ATOM 926 O GLY A 58 13.482 5.693 8.572 1.00 2.13 O ATOM 0 H GLY A 58 12.684 7.102 4.819 1.00 74.54 H new ATOM 0 HA2 GLY A 58 14.238 5.825 6.002 1.00 40.23 H new ATOM 0 HA3 GLY A 58 14.877 7.256 6.786 1.00 40.23 H new ATOM 930 N GLY A 59 11.886 7.101 7.760 1.00 21.45 N ATOM 931 CA GLY A 59 10.965 6.941 8.898 1.00 25.31 C ATOM 932 C GLY A 59 10.099 5.687 8.790 1.00 25.33 C ATOM 933 O GLY A 59 9.902 5.159 7.694 1.00 52.43 O ATOM 0 H GLY A 59 11.536 7.718 7.027 1.00 21.45 H new ATOM 0 HA2 GLY A 59 11.541 6.900 9.822 1.00 25.31 H new ATOM 0 HA3 GLY A 59 10.320 7.817 8.963 1.00 25.31 H new ATOM 937 N LYS A 60 9.570 5.202 9.929 1.00 33.32 N ATOM 938 CA LYS A 60 8.823 3.918 9.989 1.00 61.32 C ATOM 939 C LYS A 60 7.388 4.090 10.521 1.00 41.12 C ATOM 940 O LYS A 60 7.018 5.145 11.031 1.00 71.11 O ATOM 941 CB LYS A 60 9.595 2.880 10.852 1.00 44.32 C ATOM 942 CG LYS A 60 10.950 2.455 10.255 1.00 21.10 C ATOM 943 CD LYS A 60 11.611 1.293 11.029 1.00 61.04 C ATOM 944 CE LYS A 60 12.924 0.831 10.376 1.00 24.15 C ATOM 945 NZ LYS A 60 13.558 -0.294 11.103 1.00 24.13 N ATOM 0 H LYS A 60 9.643 5.678 10.828 1.00 33.32 H new ATOM 0 HA LYS A 60 8.743 3.552 8.966 1.00 61.32 H new ATOM 0 HB2 LYS A 60 9.762 3.300 11.844 1.00 44.32 H new ATOM 0 HB3 LYS A 60 8.972 1.995 10.981 1.00 44.32 H new ATOM 0 HG2 LYS A 60 10.806 2.157 9.216 1.00 21.10 H new ATOM 0 HG3 LYS A 60 11.624 3.312 10.251 1.00 21.10 H new ATOM 0 HD2 LYS A 60 11.808 1.607 12.054 1.00 61.04 H new ATOM 0 HD3 LYS A 60 10.918 0.453 11.081 1.00 61.04 H new ATOM 0 HE2 LYS A 60 12.727 0.529 9.347 1.00 24.15 H new ATOM 0 HE3 LYS A 60 13.619 1.669 10.334 1.00 24.15 H new ATOM 0 HZ1 LYS A 60 14.439 -0.566 10.621 1.00 24.13 H new ATOM 0 HZ2 LYS A 60 13.773 -0.001 12.077 1.00 24.13 H new ATOM 0 HZ3 LYS A 60 12.908 -1.106 11.121 1.00 24.13 H new ATOM 959 N ALA A 61 6.595 3.015 10.404 1.00 75.12 N ATOM 960 CA ALA A 61 5.191 2.989 10.851 1.00 31.40 C ATOM 961 C ALA A 61 4.835 1.613 11.459 1.00 43.31 C ATOM 962 O ALA A 61 5.275 0.572 10.964 1.00 72.42 O ATOM 963 CB ALA A 61 4.248 3.347 9.686 1.00 32.22 C ATOM 0 H ALA A 61 6.909 2.135 9.995 1.00 75.12 H new ATOM 0 HA ALA A 61 5.062 3.739 11.631 1.00 31.40 H new ATOM 0 HB1 ALA A 61 3.215 3.323 10.033 1.00 32.22 H new ATOM 0 HB2 ALA A 61 4.485 4.346 9.320 1.00 32.22 H new ATOM 0 HB3 ALA A 61 4.376 2.625 8.879 1.00 32.22 H new ATOM 969 N ALA A 62 4.040 1.634 12.542 1.00 64.30 N ATOM 970 CA ALA A 62 3.574 0.421 13.247 1.00 24.44 C ATOM 971 C ALA A 62 2.041 0.343 13.174 1.00 11.43 C ATOM 972 O ALA A 62 1.353 1.262 13.624 1.00 53.10 O ATOM 973 CB ALA A 62 4.038 0.435 14.713 1.00 50.15 C ATOM 0 H ALA A 62 3.698 2.500 12.959 1.00 64.30 H new ATOM 0 HA ALA A 62 4.003 -0.457 12.764 1.00 24.44 H new ATOM 0 HB1 ALA A 62 3.685 -0.466 15.215 1.00 50.15 H new ATOM 0 HB2 ALA A 62 5.127 0.468 14.750 1.00 50.15 H new ATOM 0 HB3 ALA A 62 3.631 1.313 15.215 1.00 50.15 H new ATOM 979 N TYR A 63 1.519 -0.752 12.607 1.00 3.22 N ATOM 980 CA TYR A 63 0.063 -0.965 12.464 1.00 54.34 C ATOM 981 C TYR A 63 -0.326 -2.414 12.787 1.00 32.10 C ATOM 982 O TYR A 63 0.531 -3.295 12.910 1.00 30.51 O ATOM 983 CB TYR A 63 -0.412 -0.576 11.033 1.00 72.41 C ATOM 984 CG TYR A 63 0.208 -1.398 9.878 1.00 12.34 C ATOM 985 CD1 TYR A 63 1.454 -1.061 9.334 1.00 23.04 C ATOM 986 CD2 TYR A 63 -0.459 -2.502 9.331 1.00 5.34 C ATOM 987 CE1 TYR A 63 2.009 -1.791 8.299 1.00 60.32 C ATOM 988 CE2 TYR A 63 0.093 -3.234 8.296 1.00 71.32 C ATOM 989 CZ TYR A 63 1.329 -2.876 7.781 1.00 45.44 C ATOM 990 OH TYR A 63 1.884 -3.609 6.752 1.00 33.43 O ATOM 0 H TYR A 63 2.085 -1.514 12.235 1.00 3.22 H new ATOM 0 HA TYR A 63 -0.438 -0.318 13.184 1.00 54.34 H new ATOM 0 HB2 TYR A 63 -1.496 -0.680 10.988 1.00 72.41 H new ATOM 0 HB3 TYR A 63 -0.186 0.477 10.868 1.00 72.41 H new ATOM 0 HD1 TYR A 63 1.993 -0.213 9.731 1.00 23.04 H new ATOM 0 HD2 TYR A 63 -1.423 -2.787 9.725 1.00 5.34 H new ATOM 0 HE1 TYR A 63 2.972 -1.513 7.897 1.00 60.32 H new ATOM 0 HE2 TYR A 63 -0.438 -4.083 7.890 1.00 71.32 H new ATOM 0 HH TYR A 63 1.277 -4.338 6.506 1.00 33.43 H new ATOM 1000 N TYR A 64 -1.636 -2.639 12.930 1.00 13.21 N ATOM 1001 CA TYR A 64 -2.207 -3.983 13.114 1.00 32.24 C ATOM 1002 C TYR A 64 -3.641 -4.024 12.556 1.00 63.03 C ATOM 1003 O TYR A 64 -4.437 -3.116 12.820 1.00 15.22 O ATOM 1004 CB TYR A 64 -2.174 -4.389 14.623 1.00 30.33 C ATOM 1005 CG TYR A 64 -2.934 -3.448 15.584 1.00 33.13 C ATOM 1006 CD1 TYR A 64 -2.449 -2.171 15.898 1.00 1.42 C ATOM 1007 CD2 TYR A 64 -4.141 -3.838 16.174 1.00 12.54 C ATOM 1008 CE1 TYR A 64 -3.136 -1.333 16.758 1.00 54.44 C ATOM 1009 CE2 TYR A 64 -4.827 -3.000 17.033 1.00 75.53 C ATOM 1010 CZ TYR A 64 -4.323 -1.752 17.323 1.00 42.35 C ATOM 1011 OH TYR A 64 -5.012 -0.921 18.183 1.00 53.53 O ATOM 0 H TYR A 64 -2.334 -1.895 12.922 1.00 13.21 H new ATOM 0 HA TYR A 64 -1.605 -4.705 12.563 1.00 32.24 H new ATOM 0 HB2 TYR A 64 -2.590 -5.392 14.720 1.00 30.33 H new ATOM 0 HB3 TYR A 64 -1.134 -4.443 14.944 1.00 30.33 H new ATOM 0 HD1 TYR A 64 -1.521 -1.835 15.460 1.00 1.42 H new ATOM 0 HD2 TYR A 64 -4.546 -4.815 15.954 1.00 12.54 H new ATOM 0 HE1 TYR A 64 -2.744 -0.353 16.987 1.00 54.44 H new ATOM 0 HE2 TYR A 64 -5.757 -3.324 17.476 1.00 75.53 H new ATOM 0 HH TYR A 64 -5.827 -1.371 18.489 1.00 53.53 H new ATOM 1021 N MET A 65 -3.960 -5.075 11.783 1.00 63.51 N ATOM 1022 CA MET A 65 -5.319 -5.310 11.264 1.00 42.41 C ATOM 1023 C MET A 65 -6.104 -6.183 12.256 1.00 72.33 C ATOM 1024 O MET A 65 -5.872 -7.395 12.341 1.00 44.34 O ATOM 1025 CB MET A 65 -5.282 -5.977 9.860 1.00 45.45 C ATOM 1026 CG MET A 65 -4.630 -5.131 8.752 1.00 71.23 C ATOM 1027 SD MET A 65 -2.832 -5.026 8.893 1.00 1.51 S ATOM 1028 CE MET A 65 -2.335 -6.690 8.442 1.00 20.44 C ATOM 0 H MET A 65 -3.285 -5.785 11.500 1.00 63.51 H new ATOM 0 HA MET A 65 -5.819 -4.348 11.155 1.00 42.41 H new ATOM 0 HB2 MET A 65 -4.744 -6.922 9.938 1.00 45.45 H new ATOM 0 HB3 MET A 65 -6.303 -6.215 9.561 1.00 45.45 H new ATOM 0 HG2 MET A 65 -4.887 -5.556 7.782 1.00 71.23 H new ATOM 0 HG3 MET A 65 -5.048 -4.125 8.780 1.00 71.23 H new ATOM 0 HE1 MET A 65 -1.263 -6.708 8.243 1.00 20.44 H new ATOM 0 HE2 MET A 65 -2.564 -7.373 9.260 1.00 20.44 H new ATOM 0 HE3 MET A 65 -2.875 -7.001 7.548 1.00 20.44 H new ATOM 1038 N THR A 66 -7.000 -5.564 13.036 1.00 62.24 N ATOM 1039 CA THR A 66 -7.813 -6.290 14.029 1.00 1.35 C ATOM 1040 C THR A 66 -8.930 -7.084 13.325 1.00 4.33 C ATOM 1041 O THR A 66 -9.896 -6.503 12.828 1.00 74.01 O ATOM 1042 CB THR A 66 -8.421 -5.331 15.101 1.00 51.11 C ATOM 1043 OG1 THR A 66 -7.372 -4.584 15.734 1.00 54.24 O ATOM 1044 CG2 THR A 66 -9.215 -6.087 16.188 1.00 61.02 C ATOM 0 H THR A 66 -7.183 -4.561 13.001 1.00 62.24 H new ATOM 0 HA THR A 66 -7.153 -6.983 14.550 1.00 1.35 H new ATOM 0 HB THR A 66 -9.111 -4.667 14.579 1.00 51.11 H new ATOM 0 HG1 THR A 66 -7.758 -3.982 16.405 1.00 54.24 H new ATOM 0 HG21 THR A 66 -9.616 -5.374 16.908 1.00 61.02 H new ATOM 0 HG22 THR A 66 -10.035 -6.635 15.724 1.00 61.02 H new ATOM 0 HG23 THR A 66 -8.555 -6.787 16.700 1.00 61.02 H new ATOM 1052 N GLY A 67 -8.758 -8.418 13.273 1.00 54.32 N ATOM 1053 CA GLY A 67 -9.720 -9.318 12.625 1.00 72.54 C ATOM 1054 C GLY A 67 -11.106 -9.366 13.284 1.00 62.23 C ATOM 1055 O GLY A 67 -11.301 -8.766 14.350 1.00 41.12 O ATOM 0 H GLY A 67 -7.953 -8.896 13.677 1.00 54.32 H new ATOM 0 HA2 GLY A 67 -9.838 -9.012 11.586 1.00 72.54 H new ATOM 0 HA3 GLY A 67 -9.303 -10.325 12.615 1.00 72.54 H new ATOM 1059 N PRO A 68 -12.088 -10.107 12.673 1.00 15.21 N ATOM 1060 CA PRO A 68 -13.500 -10.181 13.170 1.00 14.33 C ATOM 1061 C PRO A 68 -13.606 -10.686 14.638 1.00 52.21 C ATOM 1062 O PRO A 68 -14.453 -10.227 15.406 1.00 33.25 O ATOM 1063 CB PRO A 68 -14.185 -11.166 12.167 1.00 73.11 C ATOM 1064 CG PRO A 68 -13.044 -11.923 11.539 1.00 44.14 C ATOM 1065 CD PRO A 68 -11.909 -10.931 11.444 1.00 20.04 C ATOM 0 HA PRO A 68 -13.973 -9.199 13.202 1.00 14.33 H new ATOM 0 HB2 PRO A 68 -14.873 -11.839 12.679 1.00 73.11 H new ATOM 0 HB3 PRO A 68 -14.765 -10.628 11.417 1.00 73.11 H new ATOM 0 HG2 PRO A 68 -12.763 -12.784 12.145 1.00 44.14 H new ATOM 0 HG3 PRO A 68 -13.318 -12.302 10.554 1.00 44.14 H new ATOM 0 HD2 PRO A 68 -10.939 -11.427 11.427 1.00 20.04 H new ATOM 0 HD3 PRO A 68 -11.974 -10.327 10.539 1.00 20.04 H new ATOM 1073 N ASP A 69 -12.703 -11.602 15.015 1.00 34.13 N ATOM 1074 CA ASP A 69 -12.660 -12.198 16.370 1.00 24.04 C ATOM 1075 C ASP A 69 -11.787 -11.367 17.357 1.00 13.11 C ATOM 1076 O ASP A 69 -11.505 -11.820 18.476 1.00 13.54 O ATOM 1077 CB ASP A 69 -12.115 -13.640 16.250 1.00 74.12 C ATOM 1078 CG ASP A 69 -12.931 -14.495 15.269 1.00 4.43 C ATOM 1079 OD1 ASP A 69 -12.619 -14.493 14.058 1.00 11.20 O ATOM 1080 OD2 ASP A 69 -13.894 -15.160 15.702 1.00 74.32 O ATOM 0 H ASP A 69 -11.977 -11.956 14.392 1.00 34.13 H new ATOM 0 HA ASP A 69 -13.670 -12.202 16.780 1.00 24.04 H new ATOM 0 HB2 ASP A 69 -11.076 -13.607 15.921 1.00 74.12 H new ATOM 0 HB3 ASP A 69 -12.124 -14.112 17.233 1.00 74.12 H new ATOM 1085 N GLY A 70 -11.410 -10.137 16.950 1.00 50.31 N ATOM 1086 CA GLY A 70 -10.402 -9.348 17.670 1.00 10.52 C ATOM 1087 C GLY A 70 -9.006 -9.963 17.535 1.00 34.32 C ATOM 1088 O GLY A 70 -8.191 -9.909 18.461 1.00 51.23 O ATOM 0 H GLY A 70 -11.792 -9.673 16.126 1.00 50.31 H new ATOM 0 HA2 GLY A 70 -10.391 -8.329 17.282 1.00 10.52 H new ATOM 0 HA3 GLY A 70 -10.673 -9.285 18.724 1.00 10.52 H new ATOM 1092 N THR A 71 -8.747 -10.526 16.340 1.00 4.33 N ATOM 1093 CA THR A 71 -7.582 -11.397 16.069 1.00 4.12 C ATOM 1094 C THR A 71 -6.227 -10.646 16.129 1.00 3.30 C ATOM 1095 O THR A 71 -5.264 -11.145 16.722 1.00 43.55 O ATOM 1096 CB THR A 71 -7.737 -12.099 14.678 1.00 13.20 C ATOM 1097 OG1 THR A 71 -9.052 -12.686 14.573 1.00 12.12 O ATOM 1098 CG2 THR A 71 -6.673 -13.190 14.450 1.00 42.32 C ATOM 0 H THR A 71 -9.345 -10.389 15.525 1.00 4.33 H new ATOM 0 HA THR A 71 -7.567 -12.142 16.864 1.00 4.12 H new ATOM 0 HB THR A 71 -7.598 -11.335 13.913 1.00 13.20 H new ATOM 0 HG1 THR A 71 -9.146 -13.123 13.701 1.00 12.12 H new ATOM 0 HG21 THR A 71 -6.824 -13.646 13.472 1.00 42.32 H new ATOM 0 HG22 THR A 71 -5.679 -12.744 14.493 1.00 42.32 H new ATOM 0 HG23 THR A 71 -6.762 -13.953 15.224 1.00 42.32 H new ATOM 1106 N LYS A 72 -6.187 -9.442 15.515 1.00 11.33 N ATOM 1107 CA LYS A 72 -4.972 -8.583 15.430 1.00 62.45 C ATOM 1108 C LYS A 72 -3.788 -9.263 14.682 1.00 15.54 C ATOM 1109 O LYS A 72 -3.092 -10.122 15.235 1.00 15.24 O ATOM 1110 CB LYS A 72 -4.500 -8.093 16.827 1.00 33.21 C ATOM 1111 CG LYS A 72 -5.498 -7.185 17.570 1.00 23.44 C ATOM 1112 CD LYS A 72 -4.949 -6.741 18.945 1.00 73.23 C ATOM 1113 CE LYS A 72 -5.849 -5.718 19.653 1.00 42.41 C ATOM 1114 NZ LYS A 72 -5.271 -5.274 20.952 1.00 41.24 N ATOM 0 H LYS A 72 -7.001 -9.031 15.059 1.00 11.33 H new ATOM 0 HA LYS A 72 -5.280 -7.719 14.841 1.00 62.45 H new ATOM 0 HB2 LYS A 72 -4.291 -8.963 17.449 1.00 33.21 H new ATOM 0 HB3 LYS A 72 -3.560 -7.554 16.708 1.00 33.21 H new ATOM 0 HG2 LYS A 72 -5.713 -6.306 16.962 1.00 23.44 H new ATOM 0 HG3 LYS A 72 -6.440 -7.715 17.708 1.00 23.44 H new ATOM 0 HD2 LYS A 72 -4.834 -7.617 19.583 1.00 73.23 H new ATOM 0 HD3 LYS A 72 -3.956 -6.311 18.811 1.00 73.23 H new ATOM 0 HE2 LYS A 72 -5.994 -4.853 19.006 1.00 42.41 H new ATOM 0 HE3 LYS A 72 -6.832 -6.157 19.824 1.00 42.41 H new ATOM 0 HZ1 LYS A 72 -5.909 -4.584 21.398 1.00 41.24 H new ATOM 0 HZ2 LYS A 72 -5.156 -6.095 21.580 1.00 41.24 H new ATOM 0 HZ3 LYS A 72 -4.344 -4.832 20.787 1.00 41.24 H new ATOM 1128 N ALA A 73 -3.574 -8.865 13.421 1.00 23.14 N ATOM 1129 CA ALA A 73 -2.394 -9.261 12.629 1.00 71.12 C ATOM 1130 C ALA A 73 -1.474 -8.038 12.459 1.00 24.41 C ATOM 1131 O ALA A 73 -1.786 -7.132 11.674 1.00 31.11 O ATOM 1132 CB ALA A 73 -2.824 -9.829 11.263 1.00 11.23 C ATOM 0 H ALA A 73 -4.217 -8.255 12.915 1.00 23.14 H new ATOM 0 HA ALA A 73 -1.848 -10.047 13.151 1.00 71.12 H new ATOM 0 HB1 ALA A 73 -1.940 -10.115 10.693 1.00 11.23 H new ATOM 0 HB2 ALA A 73 -3.457 -10.704 11.415 1.00 11.23 H new ATOM 0 HB3 ALA A 73 -3.380 -9.070 10.712 1.00 11.23 H new ATOM 1138 N ARG A 74 -0.368 -7.981 13.228 1.00 64.44 N ATOM 1139 CA ARG A 74 0.587 -6.849 13.162 1.00 61.24 C ATOM 1140 C ARG A 74 1.373 -6.809 11.828 1.00 12.14 C ATOM 1141 O ARG A 74 1.569 -7.828 11.154 1.00 73.03 O ATOM 1142 CB ARG A 74 1.581 -6.851 14.369 1.00 63.12 C ATOM 1143 CG ARG A 74 1.002 -6.283 15.694 1.00 4.23 C ATOM 1144 CD ARG A 74 2.086 -6.070 16.775 1.00 74.11 C ATOM 1145 NE ARG A 74 1.590 -5.263 17.906 1.00 20.44 N ATOM 1146 CZ ARG A 74 2.290 -4.916 18.964 1.00 61.33 C ATOM 1147 NH1 ARG A 74 3.510 -5.329 19.140 1.00 23.10 N ATOM 1148 NH2 ARG A 74 1.758 -4.147 19.851 1.00 32.32 N ATOM 0 H ARG A 74 -0.112 -8.703 13.902 1.00 64.44 H new ATOM 0 HA ARG A 74 -0.022 -5.947 13.217 1.00 61.24 H new ATOM 0 HB2 ARG A 74 1.915 -7.874 14.544 1.00 63.12 H new ATOM 0 HB3 ARG A 74 2.462 -6.270 14.096 1.00 63.12 H new ATOM 0 HG2 ARG A 74 0.505 -5.334 15.491 1.00 4.23 H new ATOM 0 HG3 ARG A 74 0.243 -6.965 16.076 1.00 4.23 H new ATOM 0 HD2 ARG A 74 2.426 -7.038 17.143 1.00 74.11 H new ATOM 0 HD3 ARG A 74 2.950 -5.577 16.329 1.00 74.11 H new ATOM 0 HE ARG A 74 0.621 -4.947 17.864 1.00 20.44 H new ATOM 0 HH11 ARG A 74 3.947 -5.938 18.448 1.00 23.10 H new ATOM 0 HH12 ARG A 74 4.030 -5.044 19.970 1.00 23.10 H new ATOM 0 HH21 ARG A 74 0.802 -3.813 19.729 1.00 32.32 H new ATOM 0 HH22 ARG A 74 2.293 -3.872 20.675 1.00 32.32 H new ATOM 1162 N GLY A 75 1.791 -5.597 11.460 1.00 54.43 N ATOM 1163 CA GLY A 75 2.696 -5.372 10.340 1.00 41.51 C ATOM 1164 C GLY A 75 3.607 -4.177 10.585 1.00 24.55 C ATOM 1165 O GLY A 75 3.233 -3.231 11.299 1.00 2.22 O ATOM 0 H GLY A 75 1.507 -4.741 11.936 1.00 54.43 H new ATOM 0 HA2 GLY A 75 3.301 -6.264 10.176 1.00 41.51 H new ATOM 0 HA3 GLY A 75 2.117 -5.208 9.431 1.00 41.51 H new ATOM 1169 N TRP A 76 4.804 -4.214 9.990 1.00 61.24 N ATOM 1170 CA TRP A 76 5.775 -3.104 10.059 1.00 45.05 C ATOM 1171 C TRP A 76 5.837 -2.392 8.690 1.00 50.24 C ATOM 1172 O TRP A 76 5.556 -2.993 7.641 1.00 33.04 O ATOM 1173 CB TRP A 76 7.181 -3.614 10.492 1.00 75.33 C ATOM 1174 CG TRP A 76 7.806 -4.593 9.522 1.00 53.05 C ATOM 1175 CD1 TRP A 76 7.652 -5.952 9.505 1.00 61.11 C ATOM 1176 CD2 TRP A 76 8.672 -4.277 8.416 1.00 11.33 C ATOM 1177 NE1 TRP A 76 8.338 -6.490 8.449 1.00 33.30 N ATOM 1178 CE2 TRP A 76 8.974 -5.485 7.768 1.00 30.54 C ATOM 1179 CE3 TRP A 76 9.207 -3.084 7.905 1.00 53.33 C ATOM 1180 CZ2 TRP A 76 9.785 -5.542 6.640 1.00 73.13 C ATOM 1181 CZ3 TRP A 76 10.015 -3.138 6.788 1.00 34.55 C ATOM 1182 CH2 TRP A 76 10.293 -4.361 6.161 1.00 71.02 C ATOM 0 H TRP A 76 5.132 -5.012 9.446 1.00 61.24 H new ATOM 0 HA TRP A 76 5.446 -2.391 10.815 1.00 45.05 H new ATOM 0 HB2 TRP A 76 7.846 -2.759 10.608 1.00 75.33 H new ATOM 0 HB3 TRP A 76 7.099 -4.089 11.470 1.00 75.33 H new ATOM 0 HD1 TRP A 76 7.074 -6.518 10.220 1.00 61.11 H new ATOM 0 HE1 TRP A 76 8.370 -7.481 8.208 1.00 33.30 H new ATOM 0 HE3 TRP A 76 8.989 -2.138 8.379 1.00 53.33 H new ATOM 0 HZ2 TRP A 76 10.007 -6.483 6.158 1.00 73.13 H new ATOM 0 HZ3 TRP A 76 10.439 -2.227 6.392 1.00 34.55 H new ATOM 0 HH2 TRP A 76 10.921 -4.374 5.282 1.00 71.02 H new ATOM 1193 N TRP A 77 6.194 -1.113 8.711 1.00 61.11 N ATOM 1194 CA TRP A 77 6.283 -0.278 7.494 1.00 4.24 C ATOM 1195 C TRP A 77 7.543 0.618 7.564 1.00 23.14 C ATOM 1196 O TRP A 77 7.965 0.994 8.658 1.00 72.50 O ATOM 1197 CB TRP A 77 4.972 0.574 7.402 1.00 23.34 C ATOM 1198 CG TRP A 77 4.275 0.599 6.065 1.00 71.23 C ATOM 1199 CD1 TRP A 77 4.179 -0.413 5.151 1.00 1.51 C ATOM 1200 CD2 TRP A 77 3.508 1.684 5.538 1.00 34.52 C ATOM 1201 NE1 TRP A 77 3.433 -0.002 4.081 1.00 23.13 N ATOM 1202 CE2 TRP A 77 3.000 1.279 4.301 1.00 54.31 C ATOM 1203 CE3 TRP A 77 3.208 2.963 6.000 1.00 41.33 C ATOM 1204 CZ2 TRP A 77 2.212 2.113 3.511 1.00 62.41 C ATOM 1205 CZ3 TRP A 77 2.431 3.784 5.219 1.00 72.20 C ATOM 1206 CH2 TRP A 77 1.935 3.358 3.989 1.00 43.23 C ATOM 0 H TRP A 77 6.433 -0.614 9.568 1.00 61.11 H new ATOM 0 HA TRP A 77 6.375 -0.895 6.600 1.00 4.24 H new ATOM 0 HB2 TRP A 77 4.269 0.199 8.146 1.00 23.34 H new ATOM 0 HB3 TRP A 77 5.212 1.600 7.680 1.00 23.34 H new ATOM 0 HD1 TRP A 77 4.625 -1.391 5.258 1.00 1.51 H new ATOM 0 HE1 TRP A 77 3.231 -0.560 3.251 1.00 23.13 H new ATOM 0 HE3 TRP A 77 3.579 3.304 6.955 1.00 41.33 H new ATOM 0 HZ2 TRP A 77 1.834 1.784 2.554 1.00 62.41 H new ATOM 0 HZ3 TRP A 77 2.200 4.780 5.566 1.00 72.20 H new ATOM 0 HH2 TRP A 77 1.320 4.026 3.404 1.00 43.23 H new ATOM 1217 N GLN A 78 8.146 0.955 6.405 1.00 2.20 N ATOM 1218 CA GLN A 78 9.333 1.850 6.361 1.00 11.52 C ATOM 1219 C GLN A 78 9.395 2.665 5.050 1.00 4.55 C ATOM 1220 O GLN A 78 9.586 2.102 3.977 1.00 15.02 O ATOM 1221 CB GLN A 78 10.651 1.045 6.546 1.00 34.24 C ATOM 1222 CG GLN A 78 11.931 1.918 6.494 1.00 15.45 C ATOM 1223 CD GLN A 78 13.225 1.153 6.788 1.00 51.31 C ATOM 1224 OE1 GLN A 78 13.335 -0.044 6.528 1.00 73.04 O ATOM 1225 NE2 GLN A 78 14.218 1.844 7.328 1.00 52.24 N ATOM 0 H GLN A 78 7.837 0.626 5.490 1.00 2.20 H new ATOM 0 HA GLN A 78 9.227 2.550 7.190 1.00 11.52 H new ATOM 0 HB2 GLN A 78 10.616 0.524 7.503 1.00 34.24 H new ATOM 0 HB3 GLN A 78 10.711 0.282 5.770 1.00 34.24 H new ATOM 0 HG2 GLN A 78 12.007 2.373 5.506 1.00 15.45 H new ATOM 0 HG3 GLN A 78 11.832 2.732 7.213 1.00 15.45 H new ATOM 0 HE21 GLN A 78 14.097 2.836 7.532 1.00 52.24 H new ATOM 0 HE22 GLN A 78 15.104 1.384 7.539 1.00 52.24 H new ATOM 1234 N PHE A 79 9.256 3.999 5.169 1.00 54.12 N ATOM 1235 CA PHE A 79 9.414 4.946 4.040 1.00 33.14 C ATOM 1236 C PHE A 79 10.903 5.105 3.651 1.00 51.33 C ATOM 1237 O PHE A 79 11.757 5.300 4.517 1.00 31.42 O ATOM 1238 CB PHE A 79 8.832 6.330 4.410 1.00 54.41 C ATOM 1239 CG PHE A 79 7.352 6.305 4.753 1.00 3.03 C ATOM 1240 CD1 PHE A 79 6.391 6.290 3.745 1.00 34.41 C ATOM 1241 CD2 PHE A 79 6.922 6.300 6.080 1.00 15.14 C ATOM 1242 CE1 PHE A 79 5.051 6.272 4.053 1.00 74.22 C ATOM 1243 CE2 PHE A 79 5.578 6.284 6.386 1.00 53.33 C ATOM 1244 CZ PHE A 79 4.646 6.274 5.373 1.00 14.32 C ATOM 0 H PHE A 79 9.030 4.456 6.053 1.00 54.12 H new ATOM 0 HA PHE A 79 8.869 4.538 3.188 1.00 33.14 H new ATOM 0 HB2 PHE A 79 9.385 6.730 5.260 1.00 54.41 H new ATOM 0 HB3 PHE A 79 8.990 7.014 3.576 1.00 54.41 H new ATOM 0 HD1 PHE A 79 6.702 6.293 2.711 1.00 34.41 H new ATOM 0 HD2 PHE A 79 7.651 6.309 6.877 1.00 15.14 H new ATOM 0 HE1 PHE A 79 4.315 6.256 3.262 1.00 74.22 H new ATOM 0 HE2 PHE A 79 5.257 6.279 7.417 1.00 53.33 H new ATOM 0 HZ PHE A 79 3.593 6.268 5.612 1.00 14.32 H new ATOM 1254 N THR A 80 11.195 5.019 2.346 1.00 22.01 N ATOM 1255 CA THR A 80 12.570 5.154 1.802 1.00 73.33 C ATOM 1256 C THR A 80 12.756 6.469 1.013 1.00 40.04 C ATOM 1257 O THR A 80 13.841 7.056 1.011 1.00 65.13 O ATOM 1258 CB THR A 80 12.884 3.972 0.835 1.00 21.14 C ATOM 1259 OG1 THR A 80 12.059 4.074 -0.336 1.00 1.12 O ATOM 1260 CG2 THR A 80 12.641 2.606 1.493 1.00 72.14 C ATOM 0 H THR A 80 10.489 4.854 1.629 1.00 22.01 H new ATOM 0 HA THR A 80 13.246 5.152 2.657 1.00 73.33 H new ATOM 0 HB THR A 80 13.939 4.040 0.571 1.00 21.14 H new ATOM 0 HG1 THR A 80 12.532 3.690 -1.104 1.00 1.12 H new ATOM 0 HG21 THR A 80 12.873 1.813 0.782 1.00 72.14 H new ATOM 0 HG22 THR A 80 13.281 2.506 2.370 1.00 72.14 H new ATOM 0 HG23 THR A 80 11.597 2.528 1.795 1.00 72.14 H new ATOM 1268 N THR A 81 11.688 6.904 0.319 1.00 42.33 N ATOM 1269 CA THR A 81 11.728 8.055 -0.616 1.00 25.41 C ATOM 1270 C THR A 81 10.367 8.772 -0.633 1.00 63.20 C ATOM 1271 O THR A 81 9.353 8.173 -0.983 1.00 41.12 O ATOM 1272 CB THR A 81 12.093 7.596 -2.078 1.00 31.22 C ATOM 1273 OG1 THR A 81 13.386 6.965 -2.099 1.00 3.43 O ATOM 1274 CG2 THR A 81 12.079 8.757 -3.095 1.00 22.23 C ATOM 0 H THR A 81 10.768 6.469 0.388 1.00 42.33 H new ATOM 0 HA THR A 81 12.501 8.739 -0.265 1.00 25.41 H new ATOM 0 HB THR A 81 11.321 6.886 -2.377 1.00 31.22 H new ATOM 0 HG1 THR A 81 13.598 6.684 -3.014 1.00 3.43 H new ATOM 0 HG21 THR A 81 12.338 8.378 -4.084 1.00 22.23 H new ATOM 0 HG22 THR A 81 11.084 9.201 -3.126 1.00 22.23 H new ATOM 0 HG23 THR A 81 12.805 9.513 -2.794 1.00 22.23 H new ATOM 1282 N ILE A 82 10.347 10.059 -0.243 1.00 62.25 N ATOM 1283 CA ILE A 82 9.127 10.892 -0.261 1.00 63.11 C ATOM 1284 C ILE A 82 9.432 12.217 -0.986 1.00 34.24 C ATOM 1285 O ILE A 82 10.126 13.082 -0.447 1.00 40.01 O ATOM 1286 CB ILE A 82 8.571 11.180 1.191 1.00 61.12 C ATOM 1287 CG1 ILE A 82 8.378 9.847 1.987 1.00 51.14 C ATOM 1288 CG2 ILE A 82 7.246 11.991 1.124 1.00 43.12 C ATOM 1289 CD1 ILE A 82 7.695 9.980 3.335 1.00 20.13 C ATOM 0 H ILE A 82 11.174 10.552 0.093 1.00 62.25 H new ATOM 0 HA ILE A 82 8.351 10.340 -0.792 1.00 63.11 H new ATOM 0 HB ILE A 82 9.306 11.784 1.724 1.00 61.12 H new ATOM 0 HG12 ILE A 82 7.798 9.159 1.372 1.00 51.14 H new ATOM 0 HG13 ILE A 82 9.356 9.391 2.139 1.00 51.14 H new ATOM 0 HG21 ILE A 82 6.882 12.177 2.134 1.00 43.12 H new ATOM 0 HG22 ILE A 82 7.426 12.942 0.622 1.00 43.12 H new ATOM 0 HG23 ILE A 82 6.500 11.423 0.568 1.00 43.12 H new ATOM 0 HD11 ILE A 82 7.613 8.997 3.800 1.00 20.13 H new ATOM 0 HD12 ILE A 82 8.282 10.637 3.977 1.00 20.13 H new ATOM 0 HD13 ILE A 82 6.699 10.401 3.198 1.00 20.13 H new ATOM 1301 N GLU A 83 8.935 12.343 -2.223 1.00 2.04 N ATOM 1302 CA GLU A 83 9.140 13.551 -3.056 1.00 50.31 C ATOM 1303 C GLU A 83 7.945 14.521 -2.913 1.00 41.40 C ATOM 1304 O GLU A 83 8.136 15.717 -2.641 1.00 54.33 O ATOM 1305 CB GLU A 83 9.339 13.126 -4.535 1.00 30.25 C ATOM 1306 CG GLU A 83 10.488 12.113 -4.757 1.00 53.24 C ATOM 1307 CD GLU A 83 11.877 12.663 -4.395 1.00 2.31 C ATOM 1308 OE1 GLU A 83 12.480 13.380 -5.222 1.00 33.43 O ATOM 1309 OE2 GLU A 83 12.368 12.377 -3.286 1.00 62.10 O ATOM 0 H GLU A 83 8.381 11.618 -2.679 1.00 2.04 H new ATOM 0 HA GLU A 83 10.032 14.077 -2.716 1.00 50.31 H new ATOM 0 HB2 GLU A 83 8.410 12.691 -4.904 1.00 30.25 H new ATOM 0 HB3 GLU A 83 9.534 14.016 -5.134 1.00 30.25 H new ATOM 0 HG2 GLU A 83 10.294 11.221 -4.161 1.00 53.24 H new ATOM 0 HG3 GLU A 83 10.491 11.804 -5.802 1.00 53.24 H new ATOM 1316 N ALA A 84 6.724 13.967 -3.112 1.00 54.42 N ATOM 1317 CA ALA A 84 5.434 14.689 -2.988 1.00 0.43 C ATOM 1318 C ALA A 84 5.201 15.750 -4.114 1.00 3.03 C ATOM 1319 O ALA A 84 6.154 16.357 -4.615 1.00 40.13 O ATOM 1320 CB ALA A 84 5.270 15.313 -1.583 1.00 24.54 C ATOM 0 H ALA A 84 6.606 12.987 -3.368 1.00 54.42 H new ATOM 0 HA ALA A 84 4.657 13.936 -3.121 1.00 0.43 H new ATOM 0 HB1 ALA A 84 4.315 15.835 -1.526 1.00 24.54 H new ATOM 0 HB2 ALA A 84 5.299 14.526 -0.830 1.00 24.54 H new ATOM 0 HB3 ALA A 84 6.080 16.019 -1.402 1.00 24.54 H new ATOM 1326 N PRO A 85 3.920 15.990 -4.554 1.00 43.11 N ATOM 1327 CA PRO A 85 2.702 15.278 -4.068 1.00 13.01 C ATOM 1328 C PRO A 85 2.372 13.997 -4.877 1.00 70.31 C ATOM 1329 O PRO A 85 1.264 13.483 -4.786 1.00 22.21 O ATOM 1330 CB PRO A 85 1.621 16.361 -4.262 1.00 52.13 C ATOM 1331 CG PRO A 85 2.029 17.050 -5.540 1.00 40.34 C ATOM 1332 CD PRO A 85 3.556 17.018 -5.572 1.00 60.54 C ATOM 0 HA PRO A 85 2.804 14.908 -3.048 1.00 13.01 H new ATOM 0 HB2 PRO A 85 0.626 15.923 -4.343 1.00 52.13 H new ATOM 0 HB3 PRO A 85 1.596 17.056 -3.423 1.00 52.13 H new ATOM 0 HG2 PRO A 85 1.611 16.540 -6.408 1.00 40.34 H new ATOM 0 HG3 PRO A 85 1.660 18.076 -5.564 1.00 40.34 H new ATOM 0 HD2 PRO A 85 3.928 16.749 -6.561 1.00 60.54 H new ATOM 0 HD3 PRO A 85 3.980 17.991 -5.325 1.00 60.54 H new ATOM 1340 N ASP A 86 3.351 13.486 -5.645 1.00 13.55 N ATOM 1341 CA ASP A 86 3.146 12.373 -6.601 1.00 21.34 C ATOM 1342 C ASP A 86 3.965 11.101 -6.228 1.00 34.22 C ATOM 1343 O ASP A 86 3.405 10.008 -6.119 1.00 52.23 O ATOM 1344 CB ASP A 86 3.483 12.867 -8.042 1.00 44.30 C ATOM 1345 CG ASP A 86 4.947 13.320 -8.244 1.00 73.03 C ATOM 1346 OD1 ASP A 86 5.448 14.137 -7.438 1.00 75.14 O ATOM 1347 OD2 ASP A 86 5.611 12.843 -9.194 1.00 12.44 O ATOM 0 H ASP A 86 4.311 13.831 -5.623 1.00 13.55 H new ATOM 0 HA ASP A 86 2.099 12.074 -6.555 1.00 21.34 H new ATOM 0 HB2 ASP A 86 3.265 12.065 -8.747 1.00 44.30 H new ATOM 0 HB3 ASP A 86 2.822 13.698 -8.290 1.00 44.30 H new ATOM 1352 N HIS A 87 5.288 11.255 -6.035 1.00 42.21 N ATOM 1353 CA HIS A 87 6.223 10.116 -5.863 1.00 52.25 C ATOM 1354 C HIS A 87 6.397 9.742 -4.363 1.00 14.03 C ATOM 1355 O HIS A 87 6.770 10.572 -3.526 1.00 74.31 O ATOM 1356 CB HIS A 87 7.582 10.470 -6.525 1.00 40.21 C ATOM 1357 CG HIS A 87 8.626 9.369 -6.588 1.00 21.03 C ATOM 1358 ND1 HIS A 87 9.841 9.543 -7.223 1.00 52.54 N ATOM 1359 CD2 HIS A 87 8.658 8.097 -6.103 1.00 22.10 C ATOM 1360 CE1 HIS A 87 10.557 8.443 -7.126 1.00 52.02 C ATOM 1361 NE2 HIS A 87 9.864 7.557 -6.455 1.00 33.14 N ATOM 0 H HIS A 87 5.743 12.167 -5.993 1.00 42.21 H new ATOM 0 HA HIS A 87 5.807 9.236 -6.354 1.00 52.25 H new ATOM 0 HB2 HIS A 87 7.385 10.809 -7.542 1.00 40.21 H new ATOM 0 HB3 HIS A 87 8.012 11.314 -5.986 1.00 40.21 H new ATOM 0 HD2 HIS A 87 7.876 7.606 -5.544 1.00 22.10 H new ATOM 0 HE1 HIS A 87 11.547 8.296 -7.531 1.00 52.02 H new ATOM 0 HE2 HIS A 87 10.175 6.612 -6.230 1.00 33.14 H new ATOM 1370 N LEU A 88 6.144 8.454 -4.073 1.00 20.55 N ATOM 1371 CA LEU A 88 6.305 7.832 -2.746 1.00 11.14 C ATOM 1372 C LEU A 88 6.932 6.431 -2.907 1.00 23.22 C ATOM 1373 O LEU A 88 6.654 5.737 -3.886 1.00 52.02 O ATOM 1374 CB LEU A 88 4.918 7.724 -2.050 1.00 0.32 C ATOM 1375 CG LEU A 88 4.886 7.094 -0.620 1.00 2.12 C ATOM 1376 CD1 LEU A 88 5.772 7.878 0.366 1.00 54.04 C ATOM 1377 CD2 LEU A 88 3.441 6.992 -0.099 1.00 45.02 C ATOM 0 H LEU A 88 5.811 7.796 -4.778 1.00 20.55 H new ATOM 0 HA LEU A 88 6.962 8.446 -2.130 1.00 11.14 H new ATOM 0 HB2 LEU A 88 4.492 8.725 -1.988 1.00 0.32 H new ATOM 0 HB3 LEU A 88 4.262 7.137 -2.693 1.00 0.32 H new ATOM 0 HG LEU A 88 5.294 6.086 -0.696 1.00 2.12 H new ATOM 0 HD11 LEU A 88 5.724 7.410 1.349 1.00 54.04 H new ATOM 0 HD12 LEU A 88 6.803 7.873 0.012 1.00 54.04 H new ATOM 0 HD13 LEU A 88 5.417 8.906 0.436 1.00 54.04 H new ATOM 0 HD21 LEU A 88 3.444 6.551 0.898 1.00 45.02 H new ATOM 0 HD22 LEU A 88 2.999 7.988 -0.054 1.00 45.02 H new ATOM 0 HD23 LEU A 88 2.855 6.365 -0.772 1.00 45.02 H new ATOM 1389 N GLU A 89 7.808 6.046 -1.967 1.00 10.35 N ATOM 1390 CA GLU A 89 8.405 4.696 -1.894 1.00 12.25 C ATOM 1391 C GLU A 89 8.493 4.240 -0.425 1.00 64.44 C ATOM 1392 O GLU A 89 8.855 5.030 0.461 1.00 54.23 O ATOM 1393 CB GLU A 89 9.821 4.658 -2.530 1.00 74.24 C ATOM 1394 CG GLU A 89 9.859 4.786 -4.063 1.00 25.51 C ATOM 1395 CD GLU A 89 11.278 4.719 -4.654 1.00 4.41 C ATOM 1396 OE1 GLU A 89 11.913 3.647 -4.582 1.00 43.34 O ATOM 1397 OE2 GLU A 89 11.764 5.729 -5.192 1.00 62.13 O ATOM 0 H GLU A 89 8.128 6.668 -1.225 1.00 10.35 H new ATOM 0 HA GLU A 89 7.761 4.020 -2.457 1.00 12.25 H new ATOM 0 HB2 GLU A 89 10.416 5.464 -2.100 1.00 74.24 H new ATOM 0 HB3 GLU A 89 10.302 3.721 -2.248 1.00 74.24 H new ATOM 0 HG2 GLU A 89 9.255 3.991 -4.500 1.00 25.51 H new ATOM 0 HG3 GLU A 89 9.399 5.731 -4.351 1.00 25.51 H new ATOM 1404 N PHE A 90 8.171 2.963 -0.194 1.00 75.40 N ATOM 1405 CA PHE A 90 8.219 2.323 1.136 1.00 41.35 C ATOM 1406 C PHE A 90 8.323 0.789 0.999 1.00 10.20 C ATOM 1407 O PHE A 90 8.287 0.253 -0.109 1.00 62.53 O ATOM 1408 CB PHE A 90 6.982 2.720 2.005 1.00 43.14 C ATOM 1409 CG PHE A 90 5.629 2.471 1.346 1.00 1.21 C ATOM 1410 CD1 PHE A 90 5.073 1.194 1.290 1.00 43.22 C ATOM 1411 CD2 PHE A 90 4.919 3.520 0.768 1.00 73.25 C ATOM 1412 CE1 PHE A 90 3.856 0.985 0.681 1.00 1.50 C ATOM 1413 CE2 PHE A 90 3.706 3.299 0.161 1.00 30.24 C ATOM 1414 CZ PHE A 90 3.173 2.033 0.114 1.00 1.24 C ATOM 0 H PHE A 90 7.864 2.331 -0.933 1.00 75.40 H new ATOM 0 HA PHE A 90 9.111 2.684 1.647 1.00 41.35 H new ATOM 0 HB2 PHE A 90 7.021 2.165 2.942 1.00 43.14 H new ATOM 0 HB3 PHE A 90 7.058 3.778 2.258 1.00 43.14 H new ATOM 0 HD1 PHE A 90 5.602 0.361 1.728 1.00 43.22 H new ATOM 0 HD2 PHE A 90 5.327 4.520 0.797 1.00 73.25 H new ATOM 0 HE1 PHE A 90 3.436 -0.009 0.649 1.00 1.50 H new ATOM 0 HE2 PHE A 90 3.169 4.125 -0.282 1.00 30.24 H new ATOM 0 HZ PHE A 90 2.221 1.863 -0.367 1.00 1.24 H new ATOM 1424 N ASP A 91 8.466 0.107 2.139 1.00 3.12 N ATOM 1425 CA ASP A 91 8.489 -1.363 2.214 1.00 74.43 C ATOM 1426 C ASP A 91 7.328 -1.888 3.076 1.00 1.45 C ATOM 1427 O ASP A 91 7.264 -1.606 4.284 1.00 65.31 O ATOM 1428 CB ASP A 91 9.840 -1.842 2.784 1.00 72.12 C ATOM 1429 CG ASP A 91 11.003 -1.539 1.832 1.00 23.11 C ATOM 1430 OD1 ASP A 91 11.586 -0.445 1.913 1.00 51.20 O ATOM 1431 OD2 ASP A 91 11.308 -2.371 0.958 1.00 70.53 O ATOM 0 H ASP A 91 8.570 0.561 3.046 1.00 3.12 H new ATOM 0 HA ASP A 91 8.368 -1.761 1.206 1.00 74.43 H new ATOM 0 HB2 ASP A 91 10.021 -1.358 3.744 1.00 72.12 H new ATOM 0 HB3 ASP A 91 9.795 -2.915 2.972 1.00 72.12 H new ATOM 1436 N ASP A 92 6.408 -2.628 2.438 1.00 15.23 N ATOM 1437 CA ASP A 92 5.360 -3.380 3.139 1.00 74.21 C ATOM 1438 C ASP A 92 5.964 -4.660 3.745 1.00 64.11 C ATOM 1439 O ASP A 92 6.697 -5.402 3.065 1.00 54.23 O ATOM 1440 CB ASP A 92 4.217 -3.766 2.179 1.00 23.34 C ATOM 1441 CG ASP A 92 3.654 -2.576 1.405 1.00 71.45 C ATOM 1442 OD1 ASP A 92 4.219 -2.248 0.344 1.00 10.23 O ATOM 1443 OD2 ASP A 92 2.662 -1.960 1.861 1.00 13.15 O ATOM 0 H ASP A 92 6.371 -2.721 1.423 1.00 15.23 H new ATOM 0 HA ASP A 92 4.953 -2.745 3.926 1.00 74.21 H new ATOM 0 HB2 ASP A 92 4.581 -4.512 1.472 1.00 23.34 H new ATOM 0 HB3 ASP A 92 3.414 -4.233 2.749 1.00 23.34 H new ATOM 1448 N GLY A 93 5.661 -4.911 5.017 1.00 72.34 N ATOM 1449 CA GLY A 93 6.086 -6.132 5.685 1.00 42.54 C ATOM 1450 C GLY A 93 5.133 -6.539 6.795 1.00 33.12 C ATOM 1451 O GLY A 93 4.467 -5.691 7.399 1.00 21.34 O ATOM 0 H GLY A 93 5.119 -4.279 5.606 1.00 72.34 H new ATOM 0 HA2 GLY A 93 6.156 -6.938 4.955 1.00 42.54 H new ATOM 0 HA3 GLY A 93 7.084 -5.989 6.099 1.00 42.54 H new ATOM 1455 N PHE A 94 5.067 -7.843 7.069 1.00 40.00 N ATOM 1456 CA PHE A 94 4.265 -8.395 8.174 1.00 71.00 C ATOM 1457 C PHE A 94 5.143 -8.584 9.410 1.00 70.11 C ATOM 1458 O PHE A 94 6.346 -8.845 9.300 1.00 4.01 O ATOM 1459 CB PHE A 94 3.612 -9.739 7.774 1.00 61.43 C ATOM 1460 CG PHE A 94 2.481 -9.596 6.755 1.00 40.34 C ATOM 1461 CD1 PHE A 94 2.736 -9.617 5.385 1.00 0.05 C ATOM 1462 CD2 PHE A 94 1.159 -9.429 7.176 1.00 70.02 C ATOM 1463 CE1 PHE A 94 1.709 -9.476 4.472 1.00 41.03 C ATOM 1464 CE2 PHE A 94 0.132 -9.289 6.260 1.00 55.11 C ATOM 1465 CZ PHE A 94 0.408 -9.314 4.907 1.00 33.13 C ATOM 0 H PHE A 94 5.568 -8.552 6.533 1.00 40.00 H new ATOM 0 HA PHE A 94 3.467 -7.688 8.403 1.00 71.00 H new ATOM 0 HB2 PHE A 94 4.378 -10.396 7.363 1.00 61.43 H new ATOM 0 HB3 PHE A 94 3.223 -10.224 8.669 1.00 61.43 H new ATOM 0 HD1 PHE A 94 3.749 -9.745 5.033 1.00 0.05 H new ATOM 0 HD2 PHE A 94 0.936 -9.409 8.232 1.00 70.02 H new ATOM 0 HE1 PHE A 94 1.924 -9.492 3.414 1.00 41.03 H new ATOM 0 HE2 PHE A 94 -0.884 -9.160 6.602 1.00 55.11 H new ATOM 0 HZ PHE A 94 -0.392 -9.207 4.190 1.00 33.13 H new ATOM 1475 N ALA A 95 4.524 -8.456 10.579 1.00 51.24 N ATOM 1476 CA ALA A 95 5.200 -8.576 11.869 1.00 33.02 C ATOM 1477 C ALA A 95 4.377 -9.459 12.817 1.00 35.54 C ATOM 1478 O ALA A 95 3.147 -9.420 12.803 1.00 44.53 O ATOM 1479 CB ALA A 95 5.424 -7.178 12.460 1.00 11.55 C ATOM 0 H ALA A 95 3.526 -8.263 10.660 1.00 51.24 H new ATOM 0 HA ALA A 95 6.171 -9.052 11.732 1.00 33.02 H new ATOM 0 HB1 ALA A 95 5.928 -7.266 13.422 1.00 11.55 H new ATOM 0 HB2 ALA A 95 6.040 -6.590 11.780 1.00 11.55 H new ATOM 0 HB3 ALA A 95 4.463 -6.683 12.598 1.00 11.55 H new ATOM 1485 N ASP A 96 5.068 -10.264 13.624 1.00 51.55 N ATOM 1486 CA ASP A 96 4.437 -11.098 14.667 1.00 1.33 C ATOM 1487 C ASP A 96 3.890 -10.228 15.835 1.00 4.51 C ATOM 1488 O ASP A 96 3.987 -8.994 15.804 1.00 24.31 O ATOM 1489 CB ASP A 96 5.460 -12.141 15.158 1.00 51.14 C ATOM 1490 CG ASP A 96 5.809 -13.172 14.088 1.00 10.51 C ATOM 1491 OD1 ASP A 96 5.094 -14.196 13.980 1.00 11.44 O ATOM 1492 OD2 ASP A 96 6.796 -12.965 13.352 1.00 63.22 O ATOM 0 H ASP A 96 6.082 -10.362 13.579 1.00 51.55 H new ATOM 0 HA ASP A 96 3.577 -11.618 14.245 1.00 1.33 H new ATOM 0 HB2 ASP A 96 6.369 -11.631 15.475 1.00 51.14 H new ATOM 0 HB3 ASP A 96 5.060 -12.653 16.033 1.00 51.14 H new ATOM 1497 N GLU A 97 3.322 -10.879 16.869 1.00 22.10 N ATOM 1498 CA GLU A 97 2.575 -10.194 17.958 1.00 63.02 C ATOM 1499 C GLU A 97 3.399 -9.130 18.742 1.00 21.44 C ATOM 1500 O GLU A 97 2.821 -8.209 19.322 1.00 73.43 O ATOM 1501 CB GLU A 97 2.003 -11.236 18.948 1.00 64.01 C ATOM 1502 CG GLU A 97 3.064 -12.017 19.756 1.00 51.32 C ATOM 1503 CD GLU A 97 2.463 -12.843 20.896 1.00 73.21 C ATOM 1504 OE1 GLU A 97 2.289 -12.293 22.002 1.00 53.13 O ATOM 1505 OE2 GLU A 97 2.166 -14.039 20.700 1.00 15.23 O ATOM 0 H GLU A 97 3.364 -11.892 16.979 1.00 22.10 H new ATOM 0 HA GLU A 97 1.774 -9.648 17.460 1.00 63.02 H new ATOM 0 HB2 GLU A 97 1.339 -10.726 19.646 1.00 64.01 H new ATOM 0 HB3 GLU A 97 1.394 -11.949 18.391 1.00 64.01 H new ATOM 0 HG2 GLU A 97 3.609 -12.679 19.084 1.00 51.32 H new ATOM 0 HG3 GLU A 97 3.789 -11.314 20.167 1.00 51.32 H new ATOM 1512 N HIS A 98 4.742 -9.276 18.777 1.00 0.12 N ATOM 1513 CA HIS A 98 5.644 -8.307 19.462 1.00 31.44 C ATOM 1514 C HIS A 98 6.213 -7.261 18.469 1.00 14.43 C ATOM 1515 O HIS A 98 6.740 -6.224 18.891 1.00 1.14 O ATOM 1516 CB HIS A 98 6.805 -9.048 20.180 1.00 25.42 C ATOM 1517 CG HIS A 98 6.354 -10.168 21.075 1.00 43.12 C ATOM 1518 ND1 HIS A 98 5.718 -9.964 22.276 1.00 14.10 N ATOM 1519 CD2 HIS A 98 6.424 -11.515 20.919 1.00 73.43 C ATOM 1520 CE1 HIS A 98 5.413 -11.127 22.817 1.00 12.32 C ATOM 1521 NE2 HIS A 98 5.833 -12.081 22.018 1.00 61.02 N ATOM 0 H HIS A 98 5.232 -10.056 18.339 1.00 0.12 H new ATOM 0 HA HIS A 98 5.049 -7.778 20.207 1.00 31.44 H new ATOM 0 HB2 HIS A 98 7.486 -9.448 19.429 1.00 25.42 H new ATOM 0 HB3 HIS A 98 7.370 -8.329 20.772 1.00 25.42 H new ATOM 0 HD2 HIS A 98 6.863 -12.042 20.085 1.00 73.43 H new ATOM 0 HE1 HIS A 98 4.904 -11.271 23.758 1.00 12.32 H new ATOM 0 HE2 HIS A 98 5.735 -13.082 22.188 1.00 61.02 H new ATOM 1530 N GLY A 99 6.084 -7.540 17.156 1.00 3.43 N ATOM 1531 CA GLY A 99 6.555 -6.634 16.091 1.00 53.55 C ATOM 1532 C GLY A 99 7.772 -7.152 15.306 1.00 30.23 C ATOM 1533 O GLY A 99 8.435 -6.368 14.614 1.00 2.32 O ATOM 0 H GLY A 99 5.653 -8.396 16.806 1.00 3.43 H new ATOM 0 HA2 GLY A 99 5.737 -6.457 15.393 1.00 53.55 H new ATOM 0 HA3 GLY A 99 6.808 -5.671 16.536 1.00 53.55 H new ATOM 1537 N ALA A 100 8.062 -8.472 15.393 1.00 30.32 N ATOM 1538 CA ALA A 100 9.208 -9.098 14.677 1.00 31.02 C ATOM 1539 C ALA A 100 8.903 -9.302 13.168 1.00 2.25 C ATOM 1540 O ALA A 100 7.928 -9.974 12.841 1.00 14.43 O ATOM 1541 CB ALA A 100 9.576 -10.444 15.325 1.00 21.12 C ATOM 0 H ALA A 100 7.518 -9.129 15.953 1.00 30.32 H new ATOM 0 HA ALA A 100 10.054 -8.416 14.758 1.00 31.02 H new ATOM 0 HB1 ALA A 100 10.415 -10.888 14.790 1.00 21.12 H new ATOM 0 HB2 ALA A 100 9.854 -10.282 16.366 1.00 21.12 H new ATOM 0 HB3 ALA A 100 8.719 -11.116 15.279 1.00 21.12 H new ATOM 1547 N PRO A 101 9.732 -8.721 12.230 1.00 54.25 N ATOM 1548 CA PRO A 101 9.581 -8.944 10.762 1.00 64.55 C ATOM 1549 C PRO A 101 9.596 -10.447 10.362 1.00 0.32 C ATOM 1550 O PRO A 101 10.600 -11.146 10.560 1.00 21.10 O ATOM 1551 CB PRO A 101 10.793 -8.180 10.155 1.00 53.30 C ATOM 1552 CG PRO A 101 11.102 -7.122 11.172 1.00 22.31 C ATOM 1553 CD PRO A 101 10.852 -7.778 12.515 1.00 23.13 C ATOM 0 HA PRO A 101 8.616 -8.591 10.397 1.00 64.55 H new ATOM 0 HB2 PRO A 101 11.644 -8.843 9.997 1.00 53.30 H new ATOM 0 HB3 PRO A 101 10.545 -7.743 9.187 1.00 53.30 H new ATOM 0 HG2 PRO A 101 12.134 -6.782 11.086 1.00 22.31 H new ATOM 0 HG3 PRO A 101 10.466 -6.247 11.036 1.00 22.31 H new ATOM 0 HD2 PRO A 101 11.736 -8.301 12.878 1.00 23.13 H new ATOM 0 HD3 PRO A 101 10.579 -7.047 13.276 1.00 23.13 H new ATOM 1561 N VAL A 102 8.460 -10.921 9.824 1.00 14.31 N ATOM 1562 CA VAL A 102 8.274 -12.325 9.394 1.00 61.34 C ATOM 1563 C VAL A 102 9.167 -12.643 8.156 1.00 13.32 C ATOM 1564 O VAL A 102 8.888 -12.191 7.040 1.00 31.50 O ATOM 1565 CB VAL A 102 6.754 -12.610 9.071 1.00 14.14 C ATOM 1566 CG1 VAL A 102 6.511 -14.101 8.724 1.00 22.14 C ATOM 1567 CG2 VAL A 102 5.835 -12.168 10.238 1.00 50.35 C ATOM 0 H VAL A 102 7.636 -10.339 9.672 1.00 14.31 H new ATOM 0 HA VAL A 102 8.579 -12.977 10.212 1.00 61.34 H new ATOM 0 HB VAL A 102 6.500 -12.016 8.193 1.00 14.14 H new ATOM 0 HG11 VAL A 102 5.454 -14.257 8.508 1.00 22.14 H new ATOM 0 HG12 VAL A 102 7.104 -14.373 7.850 1.00 22.14 H new ATOM 0 HG13 VAL A 102 6.804 -14.724 9.569 1.00 22.14 H new ATOM 0 HG21 VAL A 102 4.796 -12.378 9.983 1.00 50.35 H new ATOM 0 HG22 VAL A 102 6.105 -12.716 11.141 1.00 50.35 H new ATOM 0 HG23 VAL A 102 5.957 -11.099 10.412 1.00 50.35 H new ATOM 1577 N ASP A 103 10.247 -13.420 8.380 1.00 4.32 N ATOM 1578 CA ASP A 103 11.271 -13.731 7.340 1.00 13.52 C ATOM 1579 C ASP A 103 10.724 -14.687 6.249 1.00 62.12 C ATOM 1580 O ASP A 103 11.189 -14.662 5.103 1.00 23.10 O ATOM 1581 CB ASP A 103 12.556 -14.309 7.993 1.00 74.22 C ATOM 1582 CG ASP A 103 12.273 -15.467 8.963 1.00 23.53 C ATOM 1583 OD1 ASP A 103 12.060 -16.610 8.504 1.00 34.35 O ATOM 1584 OD2 ASP A 103 12.219 -15.229 10.187 1.00 22.12 O ATOM 0 H ASP A 103 10.441 -13.853 9.283 1.00 4.32 H new ATOM 0 HA ASP A 103 11.525 -12.794 6.844 1.00 13.52 H new ATOM 0 HB2 ASP A 103 13.230 -14.656 7.209 1.00 74.22 H new ATOM 0 HB3 ASP A 103 13.073 -13.513 8.529 1.00 74.22 H new ATOM 1589 N GLU A 104 9.743 -15.523 6.636 1.00 74.20 N ATOM 1590 CA GLU A 104 9.012 -16.411 5.710 1.00 71.34 C ATOM 1591 C GLU A 104 8.293 -15.595 4.598 1.00 44.35 C ATOM 1592 O GLU A 104 8.269 -15.990 3.429 1.00 1.31 O ATOM 1593 CB GLU A 104 7.982 -17.255 6.513 1.00 55.11 C ATOM 1594 CG GLU A 104 7.122 -18.194 5.648 1.00 70.35 C ATOM 1595 CD GLU A 104 6.062 -18.969 6.446 1.00 42.44 C ATOM 1596 OE1 GLU A 104 4.964 -18.423 6.678 1.00 24.01 O ATOM 1597 OE2 GLU A 104 6.320 -20.127 6.839 1.00 75.23 O ATOM 0 H GLU A 104 9.433 -15.603 7.604 1.00 74.20 H new ATOM 0 HA GLU A 104 9.727 -17.074 5.223 1.00 71.34 H new ATOM 0 HB2 GLU A 104 8.516 -17.850 7.254 1.00 55.11 H new ATOM 0 HB3 GLU A 104 7.324 -16.580 7.060 1.00 55.11 H new ATOM 0 HG2 GLU A 104 6.626 -17.608 4.874 1.00 70.35 H new ATOM 0 HG3 GLU A 104 7.774 -18.905 5.140 1.00 70.35 H new ATOM 1604 N LEU A 105 7.721 -14.447 4.994 1.00 63.22 N ATOM 1605 CA LEU A 105 6.997 -13.533 4.081 1.00 74.33 C ATOM 1606 C LEU A 105 7.946 -12.495 3.434 1.00 51.11 C ATOM 1607 O LEU A 105 7.616 -11.905 2.396 1.00 64.32 O ATOM 1608 CB LEU A 105 5.846 -12.848 4.863 1.00 1.21 C ATOM 1609 CG LEU A 105 4.773 -13.827 5.451 1.00 1.32 C ATOM 1610 CD1 LEU A 105 3.649 -13.075 6.184 1.00 14.10 C ATOM 1611 CD2 LEU A 105 4.199 -14.749 4.361 1.00 12.21 C ATOM 0 H LEU A 105 7.745 -14.121 5.960 1.00 63.22 H new ATOM 0 HA LEU A 105 6.576 -14.112 3.259 1.00 74.33 H new ATOM 0 HB2 LEU A 105 6.276 -12.270 5.681 1.00 1.21 H new ATOM 0 HB3 LEU A 105 5.347 -12.141 4.201 1.00 1.21 H new ATOM 0 HG LEU A 105 5.281 -14.451 6.187 1.00 1.32 H new ATOM 0 HD11 LEU A 105 2.927 -13.792 6.576 1.00 14.10 H new ATOM 0 HD12 LEU A 105 4.073 -12.500 7.007 1.00 14.10 H new ATOM 0 HD13 LEU A 105 3.150 -12.400 5.489 1.00 14.10 H new ATOM 0 HD21 LEU A 105 3.458 -15.416 4.802 1.00 12.21 H new ATOM 0 HD22 LEU A 105 3.728 -14.146 3.585 1.00 12.21 H new ATOM 0 HD23 LEU A 105 5.004 -15.340 3.923 1.00 12.21 H new ATOM 1623 N GLY A 106 9.114 -12.279 4.068 1.00 71.51 N ATOM 1624 CA GLY A 106 10.169 -11.415 3.520 1.00 63.10 C ATOM 1625 C GLY A 106 9.827 -9.918 3.518 1.00 3.41 C ATOM 1626 O GLY A 106 9.028 -9.448 4.338 1.00 4.52 O ATOM 0 H GLY A 106 9.349 -12.697 4.968 1.00 71.51 H new ATOM 0 HA2 GLY A 106 11.081 -11.566 4.097 1.00 63.10 H new ATOM 0 HA3 GLY A 106 10.383 -11.728 2.498 1.00 63.10 H new ATOM 1630 N VAL A 107 10.470 -9.165 2.603 1.00 33.44 N ATOM 1631 CA VAL A 107 10.254 -7.707 2.422 1.00 74.14 C ATOM 1632 C VAL A 107 9.855 -7.412 0.956 1.00 63.22 C ATOM 1633 O VAL A 107 10.445 -7.972 0.021 1.00 52.42 O ATOM 1634 CB VAL A 107 11.557 -6.890 2.790 1.00 23.34 C ATOM 1635 CG1 VAL A 107 11.335 -5.361 2.647 1.00 60.34 C ATOM 1636 CG2 VAL A 107 12.065 -7.242 4.214 1.00 64.14 C ATOM 0 H VAL A 107 11.161 -9.551 1.960 1.00 33.44 H new ATOM 0 HA VAL A 107 9.451 -7.397 3.091 1.00 74.14 H new ATOM 0 HB VAL A 107 12.328 -7.182 2.076 1.00 23.34 H new ATOM 0 HG11 VAL A 107 12.253 -4.834 2.909 1.00 60.34 H new ATOM 0 HG12 VAL A 107 11.063 -5.128 1.618 1.00 60.34 H new ATOM 0 HG13 VAL A 107 10.533 -5.046 3.314 1.00 60.34 H new ATOM 0 HG21 VAL A 107 12.962 -6.662 4.434 1.00 64.14 H new ATOM 0 HG22 VAL A 107 11.292 -7.006 4.945 1.00 64.14 H new ATOM 0 HG23 VAL A 107 12.299 -8.305 4.264 1.00 64.14 H new ATOM 1646 N THR A 108 8.850 -6.538 0.754 1.00 71.20 N ATOM 1647 CA THR A 108 8.436 -6.077 -0.593 1.00 5.24 C ATOM 1648 C THR A 108 8.381 -4.535 -0.652 1.00 3.03 C ATOM 1649 O THR A 108 7.835 -3.893 0.245 1.00 61.43 O ATOM 1650 CB THR A 108 7.066 -6.697 -1.047 1.00 50.53 C ATOM 1651 OG1 THR A 108 6.714 -6.225 -2.362 1.00 52.40 O ATOM 1652 CG2 THR A 108 5.916 -6.401 -0.071 1.00 24.42 C ATOM 0 H THR A 108 8.303 -6.131 1.513 1.00 71.20 H new ATOM 0 HA THR A 108 9.193 -6.430 -1.293 1.00 5.24 H new ATOM 0 HB THR A 108 7.208 -7.778 -1.060 1.00 50.53 H new ATOM 0 HG1 THR A 108 7.522 -6.161 -2.913 1.00 52.40 H new ATOM 0 HG21 THR A 108 4.998 -6.857 -0.442 1.00 24.42 H new ATOM 0 HG22 THR A 108 6.155 -6.813 0.909 1.00 24.42 H new ATOM 0 HG23 THR A 108 5.778 -5.323 0.013 1.00 24.42 H new ATOM 1660 N HIS A 109 8.969 -3.946 -1.712 1.00 4.41 N ATOM 1661 CA HIS A 109 9.103 -2.480 -1.850 1.00 75.33 C ATOM 1662 C HIS A 109 8.062 -1.901 -2.831 1.00 72.33 C ATOM 1663 O HIS A 109 8.192 -2.061 -4.045 1.00 61.22 O ATOM 1664 CB HIS A 109 10.530 -2.122 -2.332 1.00 13.44 C ATOM 1665 CG HIS A 109 10.799 -0.644 -2.319 1.00 42.54 C ATOM 1666 ND1 HIS A 109 11.102 0.031 -1.170 1.00 65.30 N ATOM 1667 CD2 HIS A 109 10.754 0.300 -3.296 1.00 12.22 C ATOM 1668 CE1 HIS A 109 11.217 1.304 -1.430 1.00 42.23 C ATOM 1669 NE2 HIS A 109 11.017 1.496 -2.704 1.00 2.42 N ATOM 0 H HIS A 109 9.363 -4.469 -2.494 1.00 4.41 H new ATOM 0 HA HIS A 109 8.923 -2.038 -0.870 1.00 75.33 H new ATOM 0 HB2 HIS A 109 11.259 -2.624 -1.696 1.00 13.44 H new ATOM 0 HB3 HIS A 109 10.673 -2.503 -3.343 1.00 13.44 H new ATOM 0 HD2 HIS A 109 10.549 0.132 -4.343 1.00 12.22 H new ATOM 0 HE1 HIS A 109 11.442 2.074 -0.707 1.00 42.23 H new ATOM 0 HE2 HIS A 109 11.052 2.398 -3.180 1.00 2.42 H new ATOM 1678 N ALA A 110 7.072 -1.171 -2.301 1.00 43.40 N ATOM 1679 CA ALA A 110 5.994 -0.564 -3.109 1.00 3.45 C ATOM 1680 C ALA A 110 6.317 0.898 -3.483 1.00 14.13 C ATOM 1681 O ALA A 110 6.700 1.706 -2.625 1.00 54.42 O ATOM 1682 CB ALA A 110 4.667 -0.650 -2.365 1.00 65.05 C ATOM 0 H ALA A 110 6.991 -0.982 -1.302 1.00 43.40 H new ATOM 0 HA ALA A 110 5.914 -1.127 -4.039 1.00 3.45 H new ATOM 0 HB1 ALA A 110 3.881 -0.199 -2.970 1.00 65.05 H new ATOM 0 HB2 ALA A 110 4.424 -1.695 -2.174 1.00 65.05 H new ATOM 0 HB3 ALA A 110 4.746 -0.117 -1.418 1.00 65.05 H new ATOM 1688 N THR A 111 6.142 1.236 -4.773 1.00 71.40 N ATOM 1689 CA THR A 111 6.355 2.606 -5.295 1.00 4.02 C ATOM 1690 C THR A 111 4.993 3.220 -5.684 1.00 51.44 C ATOM 1691 O THR A 111 4.394 2.812 -6.677 1.00 23.44 O ATOM 1692 CB THR A 111 7.310 2.607 -6.551 1.00 34.13 C ATOM 1693 OG1 THR A 111 8.497 1.840 -6.274 1.00 15.11 O ATOM 1694 CG2 THR A 111 7.731 4.032 -6.955 1.00 63.04 C ATOM 0 H THR A 111 5.849 0.569 -5.487 1.00 71.40 H new ATOM 0 HA THR A 111 6.829 3.198 -4.512 1.00 4.02 H new ATOM 0 HB THR A 111 6.751 2.162 -7.375 1.00 34.13 H new ATOM 0 HG1 THR A 111 9.081 1.846 -7.061 1.00 15.11 H new ATOM 0 HG21 THR A 111 8.388 3.985 -7.824 1.00 63.04 H new ATOM 0 HG22 THR A 111 6.845 4.617 -7.201 1.00 63.04 H new ATOM 0 HG23 THR A 111 8.259 4.504 -6.126 1.00 63.04 H new ATOM 1702 N VAL A 112 4.509 4.194 -4.896 1.00 63.31 N ATOM 1703 CA VAL A 112 3.220 4.890 -5.147 1.00 2.31 C ATOM 1704 C VAL A 112 3.458 6.148 -6.005 1.00 2.12 C ATOM 1705 O VAL A 112 4.262 7.007 -5.649 1.00 40.21 O ATOM 1706 CB VAL A 112 2.518 5.291 -3.800 1.00 41.12 C ATOM 1707 CG1 VAL A 112 1.202 6.075 -4.045 1.00 43.21 C ATOM 1708 CG2 VAL A 112 2.270 4.039 -2.929 1.00 3.45 C ATOM 0 H VAL A 112 4.995 4.527 -4.064 1.00 63.31 H new ATOM 0 HA VAL A 112 2.565 4.203 -5.682 1.00 2.31 H new ATOM 0 HB VAL A 112 3.189 5.960 -3.261 1.00 41.12 H new ATOM 0 HG11 VAL A 112 0.749 6.333 -3.088 1.00 43.21 H new ATOM 0 HG12 VAL A 112 1.420 6.987 -4.601 1.00 43.21 H new ATOM 0 HG13 VAL A 112 0.512 5.457 -4.619 1.00 43.21 H new ATOM 0 HG21 VAL A 112 1.783 4.333 -1.999 1.00 3.45 H new ATOM 0 HG22 VAL A 112 1.630 3.341 -3.469 1.00 3.45 H new ATOM 0 HG23 VAL A 112 3.222 3.558 -2.704 1.00 3.45 H new ATOM 1718 N LYS A 113 2.760 6.240 -7.144 1.00 65.42 N ATOM 1719 CA LYS A 113 2.967 7.309 -8.145 1.00 32.35 C ATOM 1720 C LYS A 113 1.620 7.928 -8.588 1.00 32.22 C ATOM 1721 O LYS A 113 0.725 7.213 -9.038 1.00 1.23 O ATOM 1722 CB LYS A 113 3.744 6.704 -9.347 1.00 30.31 C ATOM 1723 CG LYS A 113 5.197 6.273 -8.999 1.00 4.13 C ATOM 1724 CD LYS A 113 5.786 5.247 -9.984 1.00 51.12 C ATOM 1725 CE LYS A 113 5.783 5.736 -11.434 1.00 3.10 C ATOM 1726 NZ LYS A 113 6.427 4.758 -12.342 1.00 31.14 N ATOM 0 H LYS A 113 2.031 5.575 -7.404 1.00 65.42 H new ATOM 0 HA LYS A 113 3.549 8.121 -7.708 1.00 32.35 H new ATOM 0 HB2 LYS A 113 3.198 5.839 -9.723 1.00 30.31 H new ATOM 0 HB3 LYS A 113 3.775 7.436 -10.154 1.00 30.31 H new ATOM 0 HG2 LYS A 113 5.835 7.156 -8.982 1.00 4.13 H new ATOM 0 HG3 LYS A 113 5.211 5.850 -7.994 1.00 4.13 H new ATOM 0 HD2 LYS A 113 6.809 5.014 -9.688 1.00 51.12 H new ATOM 0 HD3 LYS A 113 5.216 4.320 -9.918 1.00 51.12 H new ATOM 0 HE2 LYS A 113 4.757 5.912 -11.757 1.00 3.10 H new ATOM 0 HE3 LYS A 113 6.305 6.691 -11.497 1.00 3.10 H new ATOM 0 HZ1 LYS A 113 6.407 5.123 -13.316 1.00 31.14 H new ATOM 0 HZ2 LYS A 113 7.414 4.609 -12.049 1.00 31.14 H new ATOM 0 HZ3 LYS A 113 5.913 3.855 -12.300 1.00 31.14 H new ATOM 1740 N LEU A 114 1.489 9.263 -8.439 1.00 44.32 N ATOM 1741 CA LEU A 114 0.256 10.012 -8.789 1.00 11.20 C ATOM 1742 C LEU A 114 0.454 10.866 -10.054 1.00 5.12 C ATOM 1743 O LEU A 114 1.485 11.521 -10.214 1.00 11.14 O ATOM 1744 CB LEU A 114 -0.179 10.913 -7.607 1.00 31.01 C ATOM 1745 CG LEU A 114 -0.540 10.165 -6.287 1.00 32.54 C ATOM 1746 CD1 LEU A 114 -0.879 11.148 -5.157 1.00 22.04 C ATOM 1747 CD2 LEU A 114 -1.698 9.190 -6.511 1.00 53.55 C ATOM 0 H LEU A 114 2.234 9.856 -8.073 1.00 44.32 H new ATOM 0 HA LEU A 114 -0.527 9.282 -8.994 1.00 11.20 H new ATOM 0 HB2 LEU A 114 0.625 11.618 -7.396 1.00 31.01 H new ATOM 0 HB3 LEU A 114 -1.043 11.499 -7.919 1.00 31.01 H new ATOM 0 HG LEU A 114 0.339 9.596 -5.984 1.00 32.54 H new ATOM 0 HD11 LEU A 114 -1.126 10.592 -4.253 1.00 22.04 H new ATOM 0 HD12 LEU A 114 -0.020 11.791 -4.965 1.00 22.04 H new ATOM 0 HD13 LEU A 114 -1.732 11.760 -5.451 1.00 22.04 H new ATOM 0 HD21 LEU A 114 -1.931 8.681 -5.576 1.00 53.55 H new ATOM 0 HD22 LEU A 114 -2.575 9.739 -6.853 1.00 53.55 H new ATOM 0 HD23 LEU A 114 -1.414 8.455 -7.264 1.00 53.55 H new ATOM 1759 N GLU A 115 -0.546 10.851 -10.953 1.00 62.02 N ATOM 1760 CA GLU A 115 -0.521 11.639 -12.208 1.00 41.13 C ATOM 1761 C GLU A 115 -1.722 12.606 -12.283 1.00 21.32 C ATOM 1762 O GLU A 115 -2.867 12.157 -12.198 1.00 22.23 O ATOM 1763 CB GLU A 115 -0.527 10.698 -13.434 1.00 43.22 C ATOM 1764 CG GLU A 115 0.722 9.814 -13.541 1.00 12.12 C ATOM 1765 CD GLU A 115 0.667 8.863 -14.739 1.00 63.22 C ATOM 1766 OE1 GLU A 115 -0.023 7.832 -14.637 1.00 54.04 O ATOM 1767 OE2 GLU A 115 1.274 9.159 -15.795 1.00 22.51 O ATOM 0 H GLU A 115 -1.394 10.296 -10.835 1.00 62.02 H new ATOM 0 HA GLU A 115 0.396 12.229 -12.214 1.00 41.13 H new ATOM 0 HB2 GLU A 115 -1.409 10.060 -13.386 1.00 43.22 H new ATOM 0 HB3 GLU A 115 -0.615 11.297 -14.340 1.00 43.22 H new ATOM 0 HG2 GLU A 115 1.605 10.447 -13.624 1.00 12.12 H new ATOM 0 HG3 GLU A 115 0.832 9.233 -12.625 1.00 12.12 H new ATOM 1774 N PRO A 116 -1.477 13.952 -12.444 1.00 60.42 N ATOM 1775 CA PRO A 116 -2.563 14.946 -12.607 1.00 23.45 C ATOM 1776 C PRO A 116 -3.323 14.752 -13.943 1.00 41.44 C ATOM 1777 O PRO A 116 -2.819 15.084 -15.019 1.00 24.40 O ATOM 1778 CB PRO A 116 -1.823 16.317 -12.547 1.00 60.41 C ATOM 1779 CG PRO A 116 -0.403 16.010 -12.929 1.00 11.31 C ATOM 1780 CD PRO A 116 -0.133 14.590 -12.465 1.00 1.35 C ATOM 0 HA PRO A 116 -3.333 14.857 -11.841 1.00 23.45 H new ATOM 0 HB2 PRO A 116 -2.269 17.037 -13.233 1.00 60.41 H new ATOM 0 HB3 PRO A 116 -1.878 16.752 -11.549 1.00 60.41 H new ATOM 0 HG2 PRO A 116 -0.262 16.100 -14.006 1.00 11.31 H new ATOM 0 HG3 PRO A 116 0.286 16.711 -12.458 1.00 11.31 H new ATOM 0 HD2 PRO A 116 0.544 14.071 -13.144 1.00 1.35 H new ATOM 0 HD3 PRO A 116 0.331 14.575 -11.479 1.00 1.35 H new ATOM 1788 N LEU A 117 -4.519 14.154 -13.858 1.00 53.02 N ATOM 1789 CA LEU A 117 -5.430 13.980 -15.017 1.00 45.03 C ATOM 1790 C LEU A 117 -6.455 15.141 -15.065 1.00 22.41 C ATOM 1791 O LEU A 117 -7.674 14.917 -15.173 1.00 74.14 O ATOM 1792 CB LEU A 117 -6.141 12.598 -14.924 1.00 62.11 C ATOM 1793 CG LEU A 117 -5.213 11.352 -14.732 1.00 53.21 C ATOM 1794 CD1 LEU A 117 -6.032 10.045 -14.714 1.00 33.21 C ATOM 1795 CD2 LEU A 117 -4.100 11.296 -15.802 1.00 4.10 C ATOM 0 H LEU A 117 -4.890 13.774 -12.987 1.00 53.02 H new ATOM 0 HA LEU A 117 -4.854 14.004 -15.942 1.00 45.03 H new ATOM 0 HB2 LEU A 117 -6.846 12.631 -14.093 1.00 62.11 H new ATOM 0 HB3 LEU A 117 -6.726 12.452 -15.832 1.00 62.11 H new ATOM 0 HG LEU A 117 -4.726 11.458 -13.762 1.00 53.21 H new ATOM 0 HD11 LEU A 117 -5.361 9.197 -14.579 1.00 33.21 H new ATOM 0 HD12 LEU A 117 -6.748 10.075 -13.892 1.00 33.21 H new ATOM 0 HD13 LEU A 117 -6.567 9.938 -15.658 1.00 33.21 H new ATOM 0 HD21 LEU A 117 -3.478 10.417 -15.634 1.00 4.10 H new ATOM 0 HD22 LEU A 117 -4.550 11.238 -16.793 1.00 4.10 H new ATOM 0 HD23 LEU A 117 -3.485 12.194 -15.735 1.00 4.10 H new ATOM 1807 N GLU A 118 -5.916 16.385 -14.999 1.00 54.01 N ATOM 1808 CA GLU A 118 -6.688 17.659 -14.928 1.00 62.51 C ATOM 1809 C GLU A 118 -7.505 17.766 -13.621 1.00 61.33 C ATOM 1810 O GLU A 118 -7.094 18.425 -12.661 1.00 41.42 O ATOM 1811 CB GLU A 118 -7.604 17.851 -16.182 1.00 30.11 C ATOM 1812 CG GLU A 118 -6.837 17.973 -17.507 1.00 43.50 C ATOM 1813 CD GLU A 118 -7.730 17.914 -18.755 1.00 42.32 C ATOM 1814 OE1 GLU A 118 -8.534 18.842 -18.974 1.00 10.43 O ATOM 1815 OE2 GLU A 118 -7.632 16.933 -19.527 1.00 64.11 O ATOM 0 H GLU A 118 -4.907 16.537 -14.993 1.00 54.01 H new ATOM 0 HA GLU A 118 -5.959 18.469 -14.924 1.00 62.51 H new ATOM 0 HB2 GLU A 118 -8.291 17.008 -16.249 1.00 30.11 H new ATOM 0 HB3 GLU A 118 -8.210 18.746 -16.042 1.00 30.11 H new ATOM 0 HG2 GLU A 118 -6.287 18.914 -17.511 1.00 43.50 H new ATOM 0 HG3 GLU A 118 -6.099 17.172 -17.563 1.00 43.50 H new ATOM 1822 N ASN A 119 -8.659 17.099 -13.608 1.00 3.12 N ATOM 1823 CA ASN A 119 -9.614 17.116 -12.486 1.00 71.54 C ATOM 1824 C ASN A 119 -9.534 15.803 -11.667 1.00 1.44 C ATOM 1825 O ASN A 119 -9.989 15.731 -10.524 1.00 61.43 O ATOM 1826 CB ASN A 119 -11.031 17.349 -13.068 1.00 34.45 C ATOM 1827 CG ASN A 119 -11.572 16.181 -13.912 1.00 1.34 C ATOM 1828 OD1 ASN A 119 -10.832 15.508 -14.627 1.00 11.32 O ATOM 1829 ND2 ASN A 119 -12.861 15.926 -13.822 1.00 60.34 N ATOM 0 H ASN A 119 -8.967 16.519 -14.389 1.00 3.12 H new ATOM 0 HA ASN A 119 -9.370 17.922 -11.794 1.00 71.54 H new ATOM 0 HB2 ASN A 119 -11.722 17.538 -12.246 1.00 34.45 H new ATOM 0 HB3 ASN A 119 -11.014 18.249 -13.683 1.00 34.45 H new ATOM 0 HD21 ASN A 119 -13.267 15.155 -14.353 1.00 60.34 H new ATOM 0 HD22 ASN A 119 -13.454 16.499 -13.222 1.00 60.34 H new ATOM 1836 N ARG A 120 -8.956 14.767 -12.298 1.00 5.12 N ATOM 1837 CA ARG A 120 -8.765 13.430 -11.708 1.00 22.14 C ATOM 1838 C ARG A 120 -7.265 13.155 -11.438 1.00 33.34 C ATOM 1839 O ARG A 120 -6.415 14.013 -11.711 1.00 34.24 O ATOM 1840 CB ARG A 120 -9.346 12.384 -12.682 1.00 35.44 C ATOM 1841 CG ARG A 120 -10.853 12.544 -12.968 1.00 72.04 C ATOM 1842 CD ARG A 120 -11.357 11.558 -14.028 1.00 41.43 C ATOM 1843 NE ARG A 120 -10.742 11.807 -15.349 1.00 5.35 N ATOM 1844 CZ ARG A 120 -10.228 10.899 -16.147 1.00 31.21 C ATOM 1845 NH1 ARG A 120 -10.083 9.663 -15.776 1.00 72.31 N ATOM 1846 NH2 ARG A 120 -9.811 11.260 -17.315 1.00 3.11 N ATOM 0 H ARG A 120 -8.601 14.836 -13.252 1.00 5.12 H new ATOM 0 HA ARG A 120 -9.282 13.372 -10.750 1.00 22.14 H new ATOM 0 HB2 ARG A 120 -8.802 12.442 -13.625 1.00 35.44 H new ATOM 0 HB3 ARG A 120 -9.170 11.389 -12.274 1.00 35.44 H new ATOM 0 HG2 ARG A 120 -11.413 12.397 -12.044 1.00 72.04 H new ATOM 0 HG3 ARG A 120 -11.050 13.563 -13.301 1.00 72.04 H new ATOM 0 HD2 ARG A 120 -11.135 10.539 -13.711 1.00 41.43 H new ATOM 0 HD3 ARG A 120 -12.441 11.637 -14.111 1.00 41.43 H new ATOM 0 HE ARG A 120 -10.714 12.774 -15.671 1.00 5.35 H new ATOM 0 HH11 ARG A 120 -10.372 9.374 -14.841 1.00 72.31 H new ATOM 0 HH12 ARG A 120 -9.680 8.981 -16.419 1.00 72.31 H new ATOM 0 HH21 ARG A 120 -9.884 12.236 -17.603 1.00 3.11 H new ATOM 0 HH22 ARG A 120 -9.409 10.569 -17.949 1.00 3.11 H new ATOM 1860 N THR A 121 -6.946 11.967 -10.881 1.00 3.45 N ATOM 1861 CA THR A 121 -5.549 11.553 -10.586 1.00 11.23 C ATOM 1862 C THR A 121 -5.419 10.014 -10.566 1.00 3.22 C ATOM 1863 O THR A 121 -6.224 9.320 -9.940 1.00 62.42 O ATOM 1864 CB THR A 121 -5.029 12.142 -9.221 1.00 55.31 C ATOM 1865 OG1 THR A 121 -4.994 13.577 -9.285 1.00 72.55 O ATOM 1866 CG2 THR A 121 -3.624 11.640 -8.846 1.00 14.52 C ATOM 0 H THR A 121 -7.643 11.268 -10.623 1.00 3.45 H new ATOM 0 HA THR A 121 -4.931 11.958 -11.387 1.00 11.23 H new ATOM 0 HB THR A 121 -5.726 11.800 -8.456 1.00 55.31 H new ATOM 0 HG1 THR A 121 -5.881 13.936 -9.073 1.00 72.55 H new ATOM 0 HG21 THR A 121 -3.322 12.081 -7.896 1.00 14.52 H new ATOM 0 HG22 THR A 121 -3.638 10.554 -8.754 1.00 14.52 H new ATOM 0 HG23 THR A 121 -2.915 11.929 -9.622 1.00 14.52 H new ATOM 1874 N ARG A 122 -4.351 9.496 -11.203 1.00 0.41 N ATOM 1875 CA ARG A 122 -4.103 8.048 -11.338 1.00 20.45 C ATOM 1876 C ARG A 122 -3.002 7.597 -10.347 1.00 11.34 C ATOM 1877 O ARG A 122 -1.905 8.156 -10.351 1.00 2.24 O ATOM 1878 CB ARG A 122 -3.663 7.747 -12.793 1.00 40.42 C ATOM 1879 CG ARG A 122 -3.491 6.251 -13.127 1.00 71.53 C ATOM 1880 CD ARG A 122 -2.943 6.024 -14.545 1.00 22.44 C ATOM 1881 NE ARG A 122 -3.803 6.631 -15.586 1.00 3.42 N ATOM 1882 CZ ARG A 122 -3.404 7.454 -16.535 1.00 21.23 C ATOM 1883 NH1 ARG A 122 -2.174 7.865 -16.599 1.00 43.40 N ATOM 1884 NH2 ARG A 122 -4.257 7.887 -17.401 1.00 22.41 N ATOM 0 H ARG A 122 -3.633 10.073 -11.640 1.00 0.41 H new ATOM 0 HA ARG A 122 -5.017 7.500 -11.109 1.00 20.45 H new ATOM 0 HB2 ARG A 122 -4.399 8.173 -13.475 1.00 40.42 H new ATOM 0 HB3 ARG A 122 -2.719 8.257 -12.984 1.00 40.42 H new ATOM 0 HG2 ARG A 122 -2.816 5.796 -12.403 1.00 71.53 H new ATOM 0 HG3 ARG A 122 -4.452 5.747 -13.027 1.00 71.53 H new ATOM 0 HD2 ARG A 122 -1.940 6.445 -14.616 1.00 22.44 H new ATOM 0 HD3 ARG A 122 -2.854 4.954 -14.730 1.00 22.44 H new ATOM 0 HE ARG A 122 -4.794 6.391 -15.567 1.00 3.42 H new ATOM 0 HH11 ARG A 122 -1.495 7.551 -15.906 1.00 43.40 H new ATOM 0 HH12 ARG A 122 -1.887 8.502 -17.342 1.00 43.40 H new ATOM 0 HH21 ARG A 122 -5.232 7.592 -17.348 1.00 22.41 H new ATOM 0 HH22 ARG A 122 -3.956 8.524 -18.139 1.00 22.41 H new ATOM 1898 N MET A 123 -3.305 6.583 -9.505 1.00 51.31 N ATOM 1899 CA MET A 123 -2.344 6.027 -8.525 1.00 30.22 C ATOM 1900 C MET A 123 -1.856 4.629 -8.957 1.00 23.04 C ATOM 1901 O MET A 123 -2.640 3.678 -8.993 1.00 31.10 O ATOM 1902 CB MET A 123 -2.982 5.929 -7.118 1.00 40.33 C ATOM 1903 CG MET A 123 -1.979 5.553 -6.008 1.00 50.43 C ATOM 1904 SD MET A 123 -2.764 5.256 -4.417 1.00 12.24 S ATOM 1905 CE MET A 123 -3.723 3.800 -4.808 1.00 75.32 C ATOM 0 H MET A 123 -4.218 6.129 -9.485 1.00 51.31 H new ATOM 0 HA MET A 123 -1.492 6.706 -8.487 1.00 30.22 H new ATOM 0 HB2 MET A 123 -3.443 6.885 -6.870 1.00 40.33 H new ATOM 0 HB3 MET A 123 -3.780 5.187 -7.141 1.00 40.33 H new ATOM 0 HG2 MET A 123 -1.432 4.659 -6.309 1.00 50.43 H new ATOM 0 HG3 MET A 123 -1.247 6.354 -5.901 1.00 50.43 H new ATOM 0 HE1 MET A 123 -3.699 3.111 -3.964 1.00 75.32 H new ATOM 0 HE2 MET A 123 -4.754 4.088 -5.012 1.00 75.32 H new ATOM 0 HE3 MET A 123 -3.302 3.312 -5.687 1.00 75.32 H new ATOM 1915 N THR A 124 -0.555 4.506 -9.253 1.00 13.45 N ATOM 1916 CA THR A 124 0.074 3.217 -9.619 1.00 44.02 C ATOM 1917 C THR A 124 1.083 2.784 -8.526 1.00 53.42 C ATOM 1918 O THR A 124 2.074 3.479 -8.288 1.00 70.21 O ATOM 1919 CB THR A 124 0.780 3.313 -11.014 1.00 31.53 C ATOM 1920 OG1 THR A 124 -0.161 3.756 -12.013 1.00 41.44 O ATOM 1921 CG2 THR A 124 1.377 1.963 -11.456 1.00 61.51 C ATOM 0 H THR A 124 0.095 5.292 -9.247 1.00 13.45 H new ATOM 0 HA THR A 124 -0.709 2.462 -9.691 1.00 44.02 H new ATOM 0 HB THR A 124 1.595 4.030 -10.913 1.00 31.53 H new ATOM 0 HG1 THR A 124 0.288 3.815 -12.882 1.00 41.44 H new ATOM 0 HG21 THR A 124 1.856 2.078 -12.428 1.00 61.51 H new ATOM 0 HG22 THR A 124 2.115 1.635 -10.724 1.00 61.51 H new ATOM 0 HG23 THR A 124 0.583 1.220 -11.528 1.00 61.51 H new ATOM 1929 N ILE A 125 0.806 1.644 -7.845 1.00 21.54 N ATOM 1930 CA ILE A 125 1.665 1.105 -6.756 1.00 4.14 C ATOM 1931 C ILE A 125 2.418 -0.163 -7.233 1.00 3.43 C ATOM 1932 O ILE A 125 1.788 -1.192 -7.474 1.00 74.22 O ATOM 1933 CB ILE A 125 0.816 0.735 -5.479 1.00 52.40 C ATOM 1934 CG1 ILE A 125 -0.114 1.913 -5.041 1.00 74.51 C ATOM 1935 CG2 ILE A 125 1.746 0.306 -4.314 1.00 43.42 C ATOM 1936 CD1 ILE A 125 -0.943 1.632 -3.790 1.00 24.30 C ATOM 0 H ILE A 125 -0.017 1.072 -8.033 1.00 21.54 H new ATOM 0 HA ILE A 125 2.378 1.887 -6.495 1.00 4.14 H new ATOM 0 HB ILE A 125 0.174 -0.106 -5.741 1.00 52.40 H new ATOM 0 HG12 ILE A 125 0.499 2.797 -4.865 1.00 74.51 H new ATOM 0 HG13 ILE A 125 -0.789 2.152 -5.863 1.00 74.51 H new ATOM 0 HG21 ILE A 125 1.143 0.054 -3.441 1.00 43.42 H new ATOM 0 HG22 ILE A 125 2.329 -0.564 -4.615 1.00 43.42 H new ATOM 0 HG23 ILE A 125 2.420 1.126 -4.065 1.00 43.42 H new ATOM 0 HD11 ILE A 125 -1.558 2.501 -3.558 1.00 24.30 H new ATOM 0 HD12 ILE A 125 -1.585 0.769 -3.965 1.00 24.30 H new ATOM 0 HD13 ILE A 125 -0.278 1.425 -2.952 1.00 24.30 H new ATOM 1948 N ILE A 126 3.759 -0.098 -7.349 1.00 1.55 N ATOM 1949 CA ILE A 126 4.578 -1.232 -7.860 1.00 3.24 C ATOM 1950 C ILE A 126 5.403 -1.878 -6.713 1.00 52.21 C ATOM 1951 O ILE A 126 6.418 -1.330 -6.288 1.00 70.43 O ATOM 1952 CB ILE A 126 5.557 -0.804 -9.035 1.00 50.02 C ATOM 1953 CG1 ILE A 126 4.836 0.073 -10.128 1.00 11.20 C ATOM 1954 CG2 ILE A 126 6.208 -2.059 -9.678 1.00 60.11 C ATOM 1955 CD1 ILE A 126 4.715 1.553 -9.790 1.00 3.51 C ATOM 0 H ILE A 126 4.305 0.726 -7.097 1.00 1.55 H new ATOM 0 HA ILE A 126 3.872 -1.958 -8.263 1.00 3.24 H new ATOM 0 HB ILE A 126 6.338 -0.183 -8.597 1.00 50.02 H new ATOM 0 HG12 ILE A 126 5.379 -0.026 -11.068 1.00 11.20 H new ATOM 0 HG13 ILE A 126 3.837 -0.329 -10.293 1.00 11.20 H new ATOM 0 HG21 ILE A 126 6.877 -1.751 -10.482 1.00 60.11 H new ATOM 0 HG22 ILE A 126 6.775 -2.602 -8.922 1.00 60.11 H new ATOM 0 HG23 ILE A 126 5.429 -2.706 -10.082 1.00 60.11 H new ATOM 0 HD11 ILE A 126 4.205 2.071 -10.602 1.00 3.51 H new ATOM 0 HD12 ILE A 126 4.143 1.670 -8.869 1.00 3.51 H new ATOM 0 HD13 ILE A 126 5.710 1.978 -9.656 1.00 3.51 H new ATOM 1967 N SER A 127 4.946 -3.044 -6.229 1.00 1.30 N ATOM 1968 CA SER A 127 5.600 -3.818 -5.147 1.00 13.03 C ATOM 1969 C SER A 127 6.618 -4.836 -5.717 1.00 71.42 C ATOM 1970 O SER A 127 6.240 -5.788 -6.399 1.00 1.52 O ATOM 1971 CB SER A 127 4.525 -4.547 -4.299 1.00 1.50 C ATOM 1972 OG SER A 127 3.584 -3.624 -3.770 1.00 22.21 O ATOM 0 H SER A 127 4.098 -3.488 -6.581 1.00 1.30 H new ATOM 0 HA SER A 127 6.148 -3.122 -4.513 1.00 13.03 H new ATOM 0 HB2 SER A 127 4.010 -5.285 -4.914 1.00 1.50 H new ATOM 0 HB3 SER A 127 5.005 -5.090 -3.485 1.00 1.50 H new ATOM 0 HG SER A 127 2.915 -4.106 -3.241 1.00 22.21 H new ATOM 1978 N THR A 128 7.913 -4.606 -5.448 1.00 62.33 N ATOM 1979 CA THR A 128 9.028 -5.489 -5.869 1.00 42.32 C ATOM 1980 C THR A 128 9.332 -6.547 -4.783 1.00 74.03 C ATOM 1981 O THR A 128 9.291 -6.245 -3.599 1.00 41.10 O ATOM 1982 CB THR A 128 10.326 -4.653 -6.137 1.00 63.33 C ATOM 1983 OG1 THR A 128 10.766 -4.018 -4.925 1.00 43.53 O ATOM 1984 CG2 THR A 128 10.108 -3.577 -7.221 1.00 4.23 C ATOM 0 H THR A 128 8.227 -3.789 -4.923 1.00 62.33 H new ATOM 0 HA THR A 128 8.720 -5.990 -6.787 1.00 42.32 H new ATOM 0 HB THR A 128 11.087 -5.347 -6.494 1.00 63.33 H new ATOM 0 HG1 THR A 128 11.359 -3.269 -5.145 1.00 43.53 H new ATOM 0 HG21 THR A 128 11.034 -3.022 -7.374 1.00 4.23 H new ATOM 0 HG22 THR A 128 9.813 -4.056 -8.155 1.00 4.23 H new ATOM 0 HG23 THR A 128 9.323 -2.892 -6.901 1.00 4.23 H new ATOM 1992 N PHE A 129 9.665 -7.778 -5.193 1.00 62.13 N ATOM 1993 CA PHE A 129 9.920 -8.910 -4.264 1.00 62.32 C ATOM 1994 C PHE A 129 11.371 -9.422 -4.421 1.00 75.31 C ATOM 1995 O PHE A 129 12.042 -9.113 -5.412 1.00 43.33 O ATOM 1996 CB PHE A 129 8.915 -10.064 -4.538 1.00 4.03 C ATOM 1997 CG PHE A 129 7.438 -9.654 -4.449 1.00 0.03 C ATOM 1998 CD1 PHE A 129 6.760 -9.179 -5.573 1.00 75.02 C ATOM 1999 CD2 PHE A 129 6.725 -9.761 -3.252 1.00 44.55 C ATOM 2000 CE1 PHE A 129 5.431 -8.822 -5.506 1.00 33.32 C ATOM 2001 CE2 PHE A 129 5.391 -9.403 -3.186 1.00 1.14 C ATOM 2002 CZ PHE A 129 4.742 -8.935 -4.314 1.00 72.32 C ATOM 0 H PHE A 129 9.768 -8.027 -6.177 1.00 62.13 H new ATOM 0 HA PHE A 129 9.784 -8.557 -3.242 1.00 62.32 H new ATOM 0 HB2 PHE A 129 9.108 -10.469 -5.531 1.00 4.03 H new ATOM 0 HB3 PHE A 129 9.100 -10.867 -3.825 1.00 4.03 H new ATOM 0 HD1 PHE A 129 7.287 -9.090 -6.512 1.00 75.02 H new ATOM 0 HD2 PHE A 129 7.223 -10.128 -2.367 1.00 44.55 H new ATOM 0 HE1 PHE A 129 4.927 -8.453 -6.387 1.00 33.32 H new ATOM 0 HE2 PHE A 129 4.855 -9.489 -2.252 1.00 1.14 H new ATOM 0 HZ PHE A 129 3.699 -8.659 -4.263 1.00 72.32 H new ATOM 2012 N GLU A 130 11.836 -10.219 -3.444 1.00 42.35 N ATOM 2013 CA GLU A 130 13.187 -10.829 -3.467 1.00 4.24 C ATOM 2014 C GLU A 130 13.300 -11.895 -4.582 1.00 74.22 C ATOM 2015 O GLU A 130 14.265 -11.907 -5.360 1.00 65.24 O ATOM 2016 CB GLU A 130 13.512 -11.463 -2.082 1.00 63.43 C ATOM 2017 CG GLU A 130 13.347 -10.512 -0.871 1.00 70.55 C ATOM 2018 CD GLU A 130 14.184 -9.230 -0.974 1.00 24.13 C ATOM 2019 OE1 GLU A 130 15.376 -9.253 -0.601 1.00 5.41 O ATOM 2020 OE2 GLU A 130 13.651 -8.197 -1.434 1.00 5.34 O ATOM 0 H GLU A 130 11.292 -10.461 -2.616 1.00 42.35 H new ATOM 0 HA GLU A 130 13.911 -10.042 -3.678 1.00 4.24 H new ATOM 0 HB2 GLU A 130 12.866 -12.329 -1.935 1.00 63.43 H new ATOM 0 HB3 GLU A 130 14.538 -11.830 -2.099 1.00 63.43 H new ATOM 0 HG2 GLU A 130 12.296 -10.242 -0.773 1.00 70.55 H new ATOM 0 HG3 GLU A 130 13.625 -11.045 0.038 1.00 70.55 H new ATOM 2027 N SER A 131 12.287 -12.782 -4.655 1.00 73.33 N ATOM 2028 CA SER A 131 12.241 -13.894 -5.632 1.00 14.33 C ATOM 2029 C SER A 131 10.783 -14.298 -5.952 1.00 0.13 C ATOM 2030 O SER A 131 9.829 -13.821 -5.316 1.00 13.12 O ATOM 2031 CB SER A 131 13.037 -15.131 -5.122 1.00 71.44 C ATOM 2032 OG SER A 131 14.416 -14.843 -4.904 1.00 53.12 O ATOM 0 H SER A 131 11.475 -12.749 -4.038 1.00 73.33 H new ATOM 0 HA SER A 131 12.711 -13.536 -6.548 1.00 14.33 H new ATOM 0 HB2 SER A 131 12.592 -15.487 -4.192 1.00 71.44 H new ATOM 0 HB3 SER A 131 12.949 -15.940 -5.847 1.00 71.44 H new ATOM 0 HG SER A 131 14.872 -15.649 -4.583 1.00 53.12 H new ATOM 2038 N GLU A 132 10.641 -15.177 -6.965 1.00 52.42 N ATOM 2039 CA GLU A 132 9.337 -15.724 -7.418 1.00 31.31 C ATOM 2040 C GLU A 132 8.576 -16.443 -6.278 1.00 13.23 C ATOM 2041 O GLU A 132 7.374 -16.232 -6.100 1.00 62.43 O ATOM 2042 CB GLU A 132 9.557 -16.695 -8.611 1.00 2.42 C ATOM 2043 CG GLU A 132 8.271 -17.383 -9.127 1.00 20.50 C ATOM 2044 CD GLU A 132 8.516 -18.298 -10.339 1.00 62.44 C ATOM 2045 OE1 GLU A 132 8.476 -17.809 -11.487 1.00 32.34 O ATOM 2046 OE2 GLU A 132 8.769 -19.506 -10.143 1.00 53.24 O ATOM 0 H GLU A 132 11.433 -15.533 -7.499 1.00 52.42 H new ATOM 0 HA GLU A 132 8.721 -14.883 -7.737 1.00 31.31 H new ATOM 0 HB2 GLU A 132 10.013 -16.143 -9.433 1.00 2.42 H new ATOM 0 HB3 GLU A 132 10.269 -17.464 -8.310 1.00 2.42 H new ATOM 0 HG2 GLU A 132 7.832 -17.970 -8.320 1.00 20.50 H new ATOM 0 HG3 GLU A 132 7.542 -16.619 -9.398 1.00 20.50 H new ATOM 2053 N GLU A 133 9.301 -17.267 -5.501 1.00 4.44 N ATOM 2054 CA GLU A 133 8.724 -18.032 -4.366 1.00 50.30 C ATOM 2055 C GLU A 133 8.039 -17.119 -3.307 1.00 42.31 C ATOM 2056 O GLU A 133 7.063 -17.528 -2.672 1.00 44.32 O ATOM 2057 CB GLU A 133 9.812 -18.972 -3.736 1.00 74.40 C ATOM 2058 CG GLU A 133 11.215 -18.346 -3.482 1.00 11.12 C ATOM 2059 CD GLU A 133 11.279 -17.345 -2.306 1.00 33.40 C ATOM 2060 OE1 GLU A 133 11.290 -17.788 -1.142 1.00 5.21 O ATOM 2061 OE2 GLU A 133 11.336 -16.122 -2.539 1.00 41.51 O ATOM 0 H GLU A 133 10.300 -17.425 -5.636 1.00 4.44 H new ATOM 0 HA GLU A 133 7.924 -18.658 -4.762 1.00 50.30 H new ATOM 0 HB2 GLU A 133 9.430 -19.346 -2.786 1.00 74.40 H new ATOM 0 HB3 GLU A 133 9.938 -19.834 -4.391 1.00 74.40 H new ATOM 0 HG2 GLU A 133 11.927 -19.150 -3.295 1.00 11.12 H new ATOM 0 HG3 GLU A 133 11.540 -17.838 -4.390 1.00 11.12 H new ATOM 2068 N GLN A 134 8.539 -15.871 -3.151 1.00 33.43 N ATOM 2069 CA GLN A 134 7.937 -14.882 -2.234 1.00 34.12 C ATOM 2070 C GLN A 134 6.606 -14.350 -2.797 1.00 43.43 C ATOM 2071 O GLN A 134 5.599 -14.388 -2.115 1.00 61.04 O ATOM 2072 CB GLN A 134 8.884 -13.680 -1.967 1.00 1.13 C ATOM 2073 CG GLN A 134 8.363 -12.714 -0.864 1.00 4.44 C ATOM 2074 CD GLN A 134 9.121 -11.392 -0.767 1.00 72.23 C ATOM 2075 OE1 GLN A 134 10.287 -11.308 -1.099 1.00 21.21 O ATOM 2076 NE2 GLN A 134 8.461 -10.353 -0.283 1.00 70.03 N ATOM 0 H GLN A 134 9.359 -15.527 -3.650 1.00 33.43 H new ATOM 0 HA GLN A 134 7.760 -15.402 -1.292 1.00 34.12 H new ATOM 0 HB2 GLN A 134 9.864 -14.057 -1.675 1.00 1.13 H new ATOM 0 HB3 GLN A 134 9.020 -13.122 -2.893 1.00 1.13 H new ATOM 0 HG2 GLN A 134 7.311 -12.501 -1.053 1.00 4.44 H new ATOM 0 HG3 GLN A 134 8.418 -13.221 0.100 1.00 4.44 H new ATOM 0 HE21 GLN A 134 7.483 -10.452 -0.012 1.00 70.03 H new ATOM 0 HE22 GLN A 134 8.930 -9.453 -0.181 1.00 70.03 H new ATOM 2085 N MET A 135 6.616 -13.871 -4.059 1.00 24.13 N ATOM 2086 CA MET A 135 5.422 -13.234 -4.678 1.00 75.25 C ATOM 2087 C MET A 135 4.254 -14.231 -4.859 1.00 4.24 C ATOM 2088 O MET A 135 3.090 -13.835 -4.865 1.00 65.10 O ATOM 2089 CB MET A 135 5.797 -12.541 -6.009 1.00 54.32 C ATOM 2090 CG MET A 135 6.185 -13.441 -7.180 1.00 32.20 C ATOM 2091 SD MET A 135 6.925 -12.497 -8.532 1.00 53.32 S ATOM 2092 CE MET A 135 5.743 -11.159 -8.763 1.00 61.12 C ATOM 0 H MET A 135 7.431 -13.910 -4.671 1.00 24.13 H new ATOM 0 HA MET A 135 5.067 -12.468 -3.989 1.00 75.25 H new ATOM 0 HB2 MET A 135 4.951 -11.928 -6.320 1.00 54.32 H new ATOM 0 HB3 MET A 135 6.628 -11.863 -5.814 1.00 54.32 H new ATOM 0 HG2 MET A 135 6.889 -14.200 -6.838 1.00 32.20 H new ATOM 0 HG3 MET A 135 5.302 -13.966 -7.544 1.00 32.20 H new ATOM 0 HE1 MET A 135 6.075 -10.518 -9.580 1.00 61.12 H new ATOM 0 HE2 MET A 135 4.765 -11.575 -9.003 1.00 61.12 H new ATOM 0 HE3 MET A 135 5.673 -10.573 -7.847 1.00 61.12 H new ATOM 2102 N GLN A 136 4.589 -15.525 -5.020 1.00 4.41 N ATOM 2103 CA GLN A 136 3.595 -16.619 -4.994 1.00 24.43 C ATOM 2104 C GLN A 136 3.023 -16.803 -3.566 1.00 40.11 C ATOM 2105 O GLN A 136 1.820 -16.961 -3.396 1.00 20.45 O ATOM 2106 CB GLN A 136 4.235 -17.940 -5.500 1.00 2.42 C ATOM 2107 CG GLN A 136 4.733 -17.894 -6.964 1.00 25.42 C ATOM 2108 CD GLN A 136 3.621 -17.672 -7.996 1.00 71.33 C ATOM 2109 OE1 GLN A 136 2.480 -18.081 -7.805 1.00 43.41 O ATOM 2110 NE2 GLN A 136 3.941 -17.022 -9.100 1.00 11.22 N ATOM 0 H GLN A 136 5.547 -15.842 -5.171 1.00 4.41 H new ATOM 0 HA GLN A 136 2.773 -16.355 -5.659 1.00 24.43 H new ATOM 0 HB2 GLN A 136 5.074 -18.193 -4.852 1.00 2.42 H new ATOM 0 HB3 GLN A 136 3.504 -18.743 -5.404 1.00 2.42 H new ATOM 0 HG2 GLN A 136 5.469 -17.096 -7.061 1.00 25.42 H new ATOM 0 HG3 GLN A 136 5.245 -18.829 -7.192 1.00 25.42 H new ATOM 0 HE21 GLN A 136 4.896 -16.691 -9.238 1.00 11.22 H new ATOM 0 HE22 GLN A 136 3.233 -16.851 -9.815 1.00 11.22 H new ATOM 2119 N LYS A 137 3.913 -16.725 -2.551 1.00 41.32 N ATOM 2120 CA LYS A 137 3.559 -16.902 -1.117 1.00 41.43 C ATOM 2121 C LYS A 137 2.619 -15.776 -0.627 1.00 63.21 C ATOM 2122 O LYS A 137 1.628 -16.045 0.047 1.00 42.25 O ATOM 2123 CB LYS A 137 4.870 -16.947 -0.271 1.00 20.00 C ATOM 2124 CG LYS A 137 4.699 -16.972 1.270 1.00 25.23 C ATOM 2125 CD LYS A 137 3.933 -18.215 1.788 1.00 61.25 C ATOM 2126 CE LYS A 137 3.842 -18.247 3.323 1.00 54.43 C ATOM 2127 NZ LYS A 137 3.120 -19.436 3.824 1.00 3.21 N ATOM 0 H LYS A 137 4.904 -16.536 -2.701 1.00 41.32 H new ATOM 0 HA LYS A 137 3.019 -17.841 -0.996 1.00 41.43 H new ATOM 0 HB2 LYS A 137 5.436 -17.831 -0.566 1.00 20.00 H new ATOM 0 HB3 LYS A 137 5.475 -16.079 -0.533 1.00 20.00 H new ATOM 0 HG2 LYS A 137 5.683 -16.941 1.737 1.00 25.23 H new ATOM 0 HG3 LYS A 137 4.169 -16.072 1.583 1.00 25.23 H new ATOM 0 HD2 LYS A 137 2.928 -18.221 1.367 1.00 61.25 H new ATOM 0 HD3 LYS A 137 4.431 -19.119 1.437 1.00 61.25 H new ATOM 0 HE2 LYS A 137 4.848 -18.233 3.743 1.00 54.43 H new ATOM 0 HE3 LYS A 137 3.338 -17.346 3.672 1.00 54.43 H new ATOM 0 HZ1 LYS A 137 3.087 -19.410 4.863 1.00 3.21 H new ATOM 0 HZ2 LYS A 137 2.151 -19.438 3.446 1.00 3.21 H new ATOM 0 HZ3 LYS A 137 3.614 -20.298 3.515 1.00 3.21 H new ATOM 2141 N MET A 138 2.930 -14.527 -1.007 1.00 2.21 N ATOM 2142 CA MET A 138 2.142 -13.342 -0.606 1.00 73.43 C ATOM 2143 C MET A 138 0.744 -13.359 -1.270 1.00 24.34 C ATOM 2144 O MET A 138 -0.251 -12.945 -0.666 1.00 63.42 O ATOM 2145 CB MET A 138 2.898 -12.028 -0.942 1.00 32.24 C ATOM 2146 CG MET A 138 4.372 -11.984 -0.485 1.00 74.41 C ATOM 2147 SD MET A 138 4.643 -12.653 1.171 1.00 65.14 S ATOM 2148 CE MET A 138 3.587 -11.604 2.158 1.00 61.14 C ATOM 0 H MET A 138 3.731 -14.306 -1.599 1.00 2.21 H new ATOM 0 HA MET A 138 2.005 -13.382 0.475 1.00 73.43 H new ATOM 0 HB2 MET A 138 2.864 -11.873 -2.020 1.00 32.24 H new ATOM 0 HB3 MET A 138 2.367 -11.194 -0.483 1.00 32.24 H new ATOM 0 HG2 MET A 138 4.980 -12.543 -1.196 1.00 74.41 H new ATOM 0 HG3 MET A 138 4.720 -10.951 -0.511 1.00 74.41 H new ATOM 0 HE1 MET A 138 3.457 -12.045 3.146 1.00 61.14 H new ATOM 0 HE2 MET A 138 4.043 -10.619 2.258 1.00 61.14 H new ATOM 0 HE3 MET A 138 2.616 -11.506 1.673 1.00 61.14 H new ATOM 2158 N ALA A 139 0.700 -13.853 -2.518 1.00 11.10 N ATOM 2159 CA ALA A 139 -0.556 -14.120 -3.247 1.00 43.25 C ATOM 2160 C ALA A 139 -1.429 -15.171 -2.515 1.00 11.54 C ATOM 2161 O ALA A 139 -2.655 -15.035 -2.449 1.00 22.22 O ATOM 2162 CB ALA A 139 -0.224 -14.575 -4.673 1.00 22.42 C ATOM 0 H ALA A 139 1.537 -14.080 -3.054 1.00 11.10 H new ATOM 0 HA ALA A 139 -1.140 -13.200 -3.289 1.00 43.25 H new ATOM 0 HB1 ALA A 139 -1.148 -14.774 -5.216 1.00 22.42 H new ATOM 0 HB2 ALA A 139 0.336 -13.792 -5.184 1.00 22.42 H new ATOM 0 HB3 ALA A 139 0.377 -15.484 -4.634 1.00 22.42 H new ATOM 2168 N GLU A 140 -0.768 -16.208 -1.955 1.00 34.25 N ATOM 2169 CA GLU A 140 -1.438 -17.251 -1.140 1.00 21.34 C ATOM 2170 C GLU A 140 -1.920 -16.700 0.227 1.00 35.00 C ATOM 2171 O GLU A 140 -2.922 -17.173 0.768 1.00 23.24 O ATOM 2172 CB GLU A 140 -0.500 -18.474 -0.933 1.00 21.45 C ATOM 2173 CG GLU A 140 -0.070 -19.193 -2.232 1.00 3.53 C ATOM 2174 CD GLU A 140 -1.248 -19.667 -3.099 1.00 71.41 C ATOM 2175 OE1 GLU A 140 -1.991 -20.569 -2.657 1.00 5.13 O ATOM 2176 OE2 GLU A 140 -1.429 -19.151 -4.226 1.00 74.42 O ATOM 0 H GLU A 140 0.238 -16.347 -2.053 1.00 34.25 H new ATOM 0 HA GLU A 140 -2.321 -17.574 -1.692 1.00 21.34 H new ATOM 0 HB2 GLU A 140 0.394 -18.142 -0.406 1.00 21.45 H new ATOM 0 HB3 GLU A 140 -1.003 -19.193 -0.286 1.00 21.45 H new ATOM 0 HG2 GLU A 140 0.553 -18.519 -2.820 1.00 3.53 H new ATOM 0 HG3 GLU A 140 0.547 -20.053 -1.973 1.00 3.53 H new ATOM 2183 N MET A 141 -1.195 -15.707 0.777 1.00 24.40 N ATOM 2184 CA MET A 141 -1.591 -15.004 2.028 1.00 3.13 C ATOM 2185 C MET A 141 -2.806 -14.068 1.807 1.00 75.21 C ATOM 2186 O MET A 141 -3.501 -13.703 2.765 1.00 0.33 O ATOM 2187 CB MET A 141 -0.398 -14.176 2.570 1.00 14.44 C ATOM 2188 CG MET A 141 0.826 -15.008 2.978 1.00 20.43 C ATOM 2189 SD MET A 141 0.495 -16.148 4.344 1.00 50.02 S ATOM 2190 CE MET A 141 0.171 -15.025 5.708 1.00 44.33 C ATOM 0 H MET A 141 -0.322 -15.366 0.375 1.00 24.40 H new ATOM 0 HA MET A 141 -1.879 -15.766 2.752 1.00 3.13 H new ATOM 0 HB2 MET A 141 -0.095 -13.458 1.808 1.00 14.44 H new ATOM 0 HB3 MET A 141 -0.734 -13.601 3.433 1.00 14.44 H new ATOM 0 HG2 MET A 141 1.174 -15.577 2.116 1.00 20.43 H new ATOM 0 HG3 MET A 141 1.635 -14.335 3.263 1.00 20.43 H new ATOM 0 HE1 MET A 141 0.373 -15.531 6.652 1.00 44.33 H new ATOM 0 HE2 MET A 141 0.816 -14.150 5.620 1.00 44.33 H new ATOM 0 HE3 MET A 141 -0.872 -14.711 5.681 1.00 44.33 H new ATOM 2200 N GLY A 142 -3.041 -13.683 0.542 1.00 3.44 N ATOM 2201 CA GLY A 142 -4.099 -12.732 0.190 1.00 51.43 C ATOM 2202 C GLY A 142 -3.678 -11.271 0.360 1.00 32.14 C ATOM 2203 O GLY A 142 -4.528 -10.390 0.509 1.00 24.22 O ATOM 0 H GLY A 142 -2.505 -14.021 -0.257 1.00 3.44 H new ATOM 0 HA2 GLY A 142 -4.399 -12.899 -0.845 1.00 51.43 H new ATOM 0 HA3 GLY A 142 -4.974 -12.926 0.811 1.00 51.43 H new ATOM 2207 N MET A 143 -2.354 -11.027 0.322 1.00 63.21 N ATOM 2208 CA MET A 143 -1.762 -9.680 0.478 1.00 3.11 C ATOM 2209 C MET A 143 -2.026 -8.799 -0.766 1.00 23.05 C ATOM 2210 O MET A 143 -2.453 -7.646 -0.643 1.00 0.14 O ATOM 2211 CB MET A 143 -0.234 -9.808 0.723 1.00 51.44 C ATOM 2212 CG MET A 143 0.492 -8.474 0.937 1.00 23.22 C ATOM 2213 SD MET A 143 2.265 -8.677 1.203 1.00 21.02 S ATOM 2214 CE MET A 143 2.752 -7.001 1.609 1.00 43.45 C ATOM 0 H MET A 143 -1.660 -11.761 0.182 1.00 63.21 H new ATOM 0 HA MET A 143 -2.233 -9.198 1.335 1.00 3.11 H new ATOM 0 HB2 MET A 143 -0.071 -10.440 1.596 1.00 51.44 H new ATOM 0 HB3 MET A 143 0.216 -10.319 -0.128 1.00 51.44 H new ATOM 0 HG2 MET A 143 0.330 -7.834 0.069 1.00 23.22 H new ATOM 0 HG3 MET A 143 0.057 -7.962 1.795 1.00 23.22 H new ATOM 0 HE1 MET A 143 3.822 -6.973 1.817 1.00 43.45 H new ATOM 0 HE2 MET A 143 2.528 -6.344 0.769 1.00 43.45 H new ATOM 0 HE3 MET A 143 2.203 -6.665 2.489 1.00 43.45 H new ATOM 2224 N GLU A 144 -1.761 -9.373 -1.954 1.00 52.24 N ATOM 2225 CA GLU A 144 -1.939 -8.705 -3.267 1.00 30.52 C ATOM 2226 C GLU A 144 -3.373 -8.134 -3.461 1.00 53.31 C ATOM 2227 O GLU A 144 -3.546 -6.930 -3.714 1.00 52.03 O ATOM 2228 CB GLU A 144 -1.551 -9.699 -4.418 1.00 4.01 C ATOM 2229 CG GLU A 144 -0.033 -9.741 -4.774 1.00 70.11 C ATOM 2230 CD GLU A 144 0.900 -10.366 -3.709 1.00 30.51 C ATOM 2231 OE1 GLU A 144 1.075 -9.779 -2.627 1.00 72.45 O ATOM 2232 OE2 GLU A 144 1.497 -11.430 -3.984 1.00 0.14 O ATOM 0 H GLU A 144 -1.412 -10.328 -2.035 1.00 52.24 H new ATOM 0 HA GLU A 144 -1.272 -7.843 -3.299 1.00 30.52 H new ATOM 0 HB2 GLU A 144 -1.869 -10.702 -4.133 1.00 4.01 H new ATOM 0 HB3 GLU A 144 -2.111 -9.429 -5.314 1.00 4.01 H new ATOM 0 HG2 GLU A 144 0.086 -10.298 -5.703 1.00 70.11 H new ATOM 0 HG3 GLU A 144 0.302 -8.722 -4.968 1.00 70.11 H new ATOM 2239 N GLU A 145 -4.391 -9.003 -3.333 1.00 41.22 N ATOM 2240 CA GLU A 145 -5.819 -8.589 -3.405 1.00 75.12 C ATOM 2241 C GLU A 145 -6.291 -7.873 -2.117 1.00 74.42 C ATOM 2242 O GLU A 145 -7.269 -7.121 -2.153 1.00 15.43 O ATOM 2243 CB GLU A 145 -6.720 -9.803 -3.741 1.00 11.12 C ATOM 2244 CG GLU A 145 -6.495 -10.361 -5.161 1.00 33.05 C ATOM 2245 CD GLU A 145 -7.333 -11.613 -5.453 1.00 71.02 C ATOM 2246 OE1 GLU A 145 -8.486 -11.481 -5.925 1.00 45.40 O ATOM 2247 OE2 GLU A 145 -6.843 -12.737 -5.208 1.00 61.20 O ATOM 0 H GLU A 145 -4.259 -10.002 -3.178 1.00 41.22 H new ATOM 0 HA GLU A 145 -5.907 -7.861 -4.211 1.00 75.12 H new ATOM 0 HB2 GLU A 145 -6.536 -10.594 -3.015 1.00 11.12 H new ATOM 0 HB3 GLU A 145 -7.765 -9.510 -3.635 1.00 11.12 H new ATOM 0 HG2 GLU A 145 -6.738 -9.589 -5.891 1.00 33.05 H new ATOM 0 HG3 GLU A 145 -5.439 -10.599 -5.289 1.00 33.05 H new ATOM 2254 N GLY A 146 -5.572 -8.095 -0.999 1.00 34.51 N ATOM 2255 CA GLY A 146 -5.804 -7.351 0.252 1.00 4.14 C ATOM 2256 C GLY A 146 -5.545 -5.845 0.102 1.00 75.12 C ATOM 2257 O GLY A 146 -6.224 -5.018 0.732 1.00 21.11 O ATOM 0 H GLY A 146 -4.824 -8.786 -0.938 1.00 34.51 H new ATOM 0 HA2 GLY A 146 -6.832 -7.508 0.578 1.00 4.14 H new ATOM 0 HA3 GLY A 146 -5.157 -7.751 1.033 1.00 4.14 H new ATOM 2261 N MET A 147 -4.541 -5.497 -0.734 1.00 15.34 N ATOM 2262 CA MET A 147 -4.306 -4.107 -1.170 1.00 24.02 C ATOM 2263 C MET A 147 -5.441 -3.640 -2.104 1.00 34.42 C ATOM 2264 O MET A 147 -6.030 -2.602 -1.869 1.00 31.12 O ATOM 2265 CB MET A 147 -2.944 -3.970 -1.896 1.00 35.23 C ATOM 2266 CG MET A 147 -1.717 -4.221 -1.019 1.00 23.21 C ATOM 2267 SD MET A 147 -0.163 -4.006 -1.919 1.00 41.34 S ATOM 2268 CE MET A 147 -0.229 -2.272 -2.369 1.00 54.40 C ATOM 0 H MET A 147 -3.877 -6.168 -1.121 1.00 15.34 H new ATOM 0 HA MET A 147 -4.288 -3.478 -0.280 1.00 24.02 H new ATOM 0 HB2 MET A 147 -2.923 -4.668 -2.733 1.00 35.23 H new ATOM 0 HB3 MET A 147 -2.873 -2.967 -2.316 1.00 35.23 H new ATOM 0 HG2 MET A 147 -1.737 -3.539 -0.169 1.00 23.21 H new ATOM 0 HG3 MET A 147 -1.763 -5.233 -0.617 1.00 23.21 H new ATOM 0 HE1 MET A 147 0.737 -1.808 -2.171 1.00 54.40 H new ATOM 0 HE2 MET A 147 -0.465 -2.180 -3.429 1.00 54.40 H new ATOM 0 HE3 MET A 147 -0.999 -1.773 -1.781 1.00 54.40 H new ATOM 2278 N ARG A 148 -5.758 -4.462 -3.130 1.00 73.43 N ATOM 2279 CA ARG A 148 -6.737 -4.128 -4.208 1.00 73.03 C ATOM 2280 C ARG A 148 -8.115 -3.663 -3.644 1.00 31.24 C ATOM 2281 O ARG A 148 -8.667 -2.654 -4.097 1.00 11.32 O ATOM 2282 CB ARG A 148 -6.922 -5.377 -5.105 1.00 11.10 C ATOM 2283 CG ARG A 148 -7.887 -5.215 -6.306 1.00 23.20 C ATOM 2284 CD ARG A 148 -8.144 -6.561 -7.014 1.00 32.03 C ATOM 2285 NE ARG A 148 -9.035 -6.436 -8.183 1.00 12.31 N ATOM 2286 CZ ARG A 148 -10.251 -6.941 -8.287 1.00 3.33 C ATOM 2287 NH1 ARG A 148 -10.869 -7.439 -7.262 1.00 3.34 N ATOM 2288 NH2 ARG A 148 -10.861 -6.890 -9.423 1.00 5.14 N ATOM 0 H ARG A 148 -5.341 -5.386 -3.241 1.00 73.43 H new ATOM 0 HA ARG A 148 -6.340 -3.292 -4.784 1.00 73.03 H new ATOM 0 HB2 ARG A 148 -5.945 -5.673 -5.487 1.00 11.10 H new ATOM 0 HB3 ARG A 148 -7.283 -6.196 -4.483 1.00 11.10 H new ATOM 0 HG2 ARG A 148 -8.833 -4.799 -5.960 1.00 23.20 H new ATOM 0 HG3 ARG A 148 -7.467 -4.504 -7.017 1.00 23.20 H new ATOM 0 HD2 ARG A 148 -7.192 -6.985 -7.333 1.00 32.03 H new ATOM 0 HD3 ARG A 148 -8.582 -7.261 -6.303 1.00 32.03 H new ATOM 0 HE ARG A 148 -8.680 -5.912 -8.983 1.00 12.31 H new ATOM 0 HH11 ARG A 148 -10.416 -7.447 -6.348 1.00 3.34 H new ATOM 0 HH12 ARG A 148 -11.808 -7.823 -7.370 1.00 3.34 H new ATOM 0 HH21 ARG A 148 -10.404 -6.463 -10.229 1.00 5.14 H new ATOM 0 HH22 ARG A 148 -11.800 -7.277 -9.515 1.00 5.14 H new ATOM 2302 N GLU A 149 -8.640 -4.416 -2.652 1.00 42.23 N ATOM 2303 CA GLU A 149 -9.905 -4.083 -1.936 1.00 31.34 C ATOM 2304 C GLU A 149 -9.803 -2.715 -1.221 1.00 21.20 C ATOM 2305 O GLU A 149 -10.675 -1.850 -1.367 1.00 63.33 O ATOM 2306 CB GLU A 149 -10.232 -5.185 -0.899 1.00 71.41 C ATOM 2307 CG GLU A 149 -10.455 -6.587 -1.485 1.00 14.40 C ATOM 2308 CD GLU A 149 -10.748 -7.621 -0.390 1.00 15.32 C ATOM 2309 OE1 GLU A 149 -11.908 -7.671 0.089 1.00 33.33 O ATOM 2310 OE2 GLU A 149 -9.823 -8.347 0.026 1.00 75.21 O ATOM 0 H GLU A 149 -8.202 -5.275 -2.320 1.00 42.23 H new ATOM 0 HA GLU A 149 -10.703 -4.025 -2.676 1.00 31.34 H new ATOM 0 HB2 GLU A 149 -9.417 -5.236 -0.177 1.00 71.41 H new ATOM 0 HB3 GLU A 149 -11.127 -4.891 -0.350 1.00 71.41 H new ATOM 0 HG2 GLU A 149 -11.286 -6.559 -2.190 1.00 14.40 H new ATOM 0 HG3 GLU A 149 -9.571 -6.892 -2.046 1.00 14.40 H new ATOM 2317 N ALA A 150 -8.700 -2.551 -0.463 1.00 62.50 N ATOM 2318 CA ALA A 150 -8.384 -1.314 0.287 1.00 33.23 C ATOM 2319 C ALA A 150 -8.247 -0.090 -0.658 1.00 44.02 C ATOM 2320 O ALA A 150 -8.653 1.023 -0.321 1.00 75.24 O ATOM 2321 CB ALA A 150 -7.086 -1.525 1.091 1.00 13.11 C ATOM 0 H ALA A 150 -7.995 -3.280 -0.352 1.00 62.50 H new ATOM 0 HA ALA A 150 -9.208 -1.103 0.969 1.00 33.23 H new ATOM 0 HB1 ALA A 150 -6.849 -0.617 1.645 1.00 13.11 H new ATOM 0 HB2 ALA A 150 -7.221 -2.351 1.789 1.00 13.11 H new ATOM 0 HB3 ALA A 150 -6.269 -1.757 0.408 1.00 13.11 H new ATOM 2327 N ILE A 151 -7.691 -0.333 -1.851 1.00 22.51 N ATOM 2328 CA ILE A 151 -7.420 0.704 -2.862 1.00 71.30 C ATOM 2329 C ILE A 151 -8.720 1.147 -3.589 1.00 22.54 C ATOM 2330 O ILE A 151 -8.837 2.291 -4.032 1.00 13.32 O ATOM 2331 CB ILE A 151 -6.298 0.200 -3.855 1.00 15.41 C ATOM 2332 CG1 ILE A 151 -4.944 0.037 -3.074 1.00 75.04 C ATOM 2333 CG2 ILE A 151 -6.121 1.131 -5.072 1.00 24.31 C ATOM 2334 CD1 ILE A 151 -3.838 -0.691 -3.822 1.00 72.13 C ATOM 0 H ILE A 151 -7.412 -1.268 -2.148 1.00 22.51 H new ATOM 0 HA ILE A 151 -7.043 1.598 -2.365 1.00 71.30 H new ATOM 0 HB ILE A 151 -6.612 -0.765 -4.251 1.00 15.41 H new ATOM 0 HG12 ILE A 151 -4.582 1.028 -2.800 1.00 75.04 H new ATOM 0 HG13 ILE A 151 -5.143 -0.498 -2.145 1.00 75.04 H new ATOM 0 HG21 ILE A 151 -5.338 0.737 -5.720 1.00 24.31 H new ATOM 0 HG22 ILE A 151 -7.058 1.187 -5.627 1.00 24.31 H new ATOM 0 HG23 ILE A 151 -5.842 2.128 -4.730 1.00 24.31 H new ATOM 0 HD11 ILE A 151 -2.950 -0.748 -3.193 1.00 72.13 H new ATOM 0 HD12 ILE A 151 -4.170 -1.698 -4.073 1.00 72.13 H new ATOM 0 HD13 ILE A 151 -3.600 -0.149 -4.737 1.00 72.13 H new ATOM 2346 N GLU A 152 -9.718 0.253 -3.672 1.00 3.32 N ATOM 2347 CA GLU A 152 -11.079 0.632 -4.132 1.00 53.34 C ATOM 2348 C GLU A 152 -11.884 1.314 -2.993 1.00 41.51 C ATOM 2349 O GLU A 152 -12.888 1.987 -3.243 1.00 71.32 O ATOM 2350 CB GLU A 152 -11.835 -0.594 -4.709 1.00 52.25 C ATOM 2351 CG GLU A 152 -11.084 -1.277 -5.875 1.00 32.50 C ATOM 2352 CD GLU A 152 -11.967 -2.137 -6.789 1.00 32.34 C ATOM 2353 OE1 GLU A 152 -12.164 -3.336 -6.504 1.00 15.11 O ATOM 2354 OE2 GLU A 152 -12.461 -1.603 -7.809 1.00 61.11 O ATOM 0 H GLU A 152 -9.617 -0.733 -3.430 1.00 3.32 H new ATOM 0 HA GLU A 152 -10.971 1.359 -4.937 1.00 53.34 H new ATOM 0 HB2 GLU A 152 -11.996 -1.321 -3.913 1.00 52.25 H new ATOM 0 HB3 GLU A 152 -12.819 -0.277 -5.055 1.00 52.25 H new ATOM 0 HG2 GLU A 152 -10.601 -0.508 -6.478 1.00 32.50 H new ATOM 0 HG3 GLU A 152 -10.293 -1.903 -5.463 1.00 32.50 H new ATOM 2361 N GLN A 153 -11.400 1.167 -1.749 1.00 73.21 N ATOM 2362 CA GLN A 153 -11.985 1.816 -0.554 1.00 63.55 C ATOM 2363 C GLN A 153 -11.379 3.246 -0.346 1.00 51.44 C ATOM 2364 O GLN A 153 -11.778 3.981 0.562 1.00 64.23 O ATOM 2365 CB GLN A 153 -11.766 0.872 0.670 1.00 61.32 C ATOM 2366 CG GLN A 153 -12.423 1.310 1.999 1.00 62.20 C ATOM 2367 CD GLN A 153 -12.459 0.189 3.046 1.00 10.51 C ATOM 2368 OE1 GLN A 153 -11.382 0.015 3.783 1.00 74.21 O flip ATOM 2369 NE2 GLN A 153 -13.441 -0.539 3.164 1.00 12.34 N flip ATOM 0 H GLN A 153 -10.585 0.591 -1.538 1.00 73.21 H new ATOM 0 HA GLN A 153 -13.057 1.968 -0.681 1.00 63.55 H new ATOM 0 HB2 GLN A 153 -12.144 -0.117 0.411 1.00 61.32 H new ATOM 0 HB3 GLN A 153 -10.694 0.770 0.836 1.00 61.32 H new ATOM 0 HG2 GLN A 153 -11.877 2.162 2.405 1.00 62.20 H new ATOM 0 HG3 GLN A 153 -13.440 1.648 1.801 1.00 62.20 H new ATOM 0 HE21 GLN A 153 -14.264 -0.384 2.581 1.00 12.34 H new ATOM 0 HE22 GLN A 153 -13.434 -1.299 3.845 1.00 12.34 H new ATOM 2378 N ILE A 154 -10.422 3.642 -1.222 1.00 23.21 N ATOM 2379 CA ILE A 154 -9.914 5.040 -1.309 1.00 13.02 C ATOM 2380 C ILE A 154 -10.996 5.987 -1.884 1.00 62.24 C ATOM 2381 O ILE A 154 -11.070 7.167 -1.516 1.00 21.44 O ATOM 2382 CB ILE A 154 -8.612 5.113 -2.176 1.00 52.22 C ATOM 2383 CG1 ILE A 154 -7.499 4.239 -1.536 1.00 2.31 C ATOM 2384 CG2 ILE A 154 -8.130 6.578 -2.385 1.00 3.42 C ATOM 2385 CD1 ILE A 154 -6.235 4.112 -2.359 1.00 54.33 C ATOM 0 H ILE A 154 -9.980 3.007 -1.887 1.00 23.21 H new ATOM 0 HA ILE A 154 -9.671 5.367 -0.298 1.00 13.02 H new ATOM 0 HB ILE A 154 -8.844 4.718 -3.165 1.00 52.22 H new ATOM 0 HG12 ILE A 154 -7.241 4.659 -0.564 1.00 2.31 H new ATOM 0 HG13 ILE A 154 -7.899 3.241 -1.356 1.00 2.31 H new ATOM 0 HG21 ILE A 154 -7.224 6.580 -2.992 1.00 3.42 H new ATOM 0 HG22 ILE A 154 -8.908 7.148 -2.892 1.00 3.42 H new ATOM 0 HG23 ILE A 154 -7.919 7.033 -1.417 1.00 3.42 H new ATOM 0 HD11 ILE A 154 -5.518 3.484 -1.830 1.00 54.33 H new ATOM 0 HD12 ILE A 154 -6.472 3.660 -3.322 1.00 54.33 H new ATOM 0 HD13 ILE A 154 -5.804 5.100 -2.518 1.00 54.33 H new ATOM 2397 N ASP A 155 -11.832 5.451 -2.784 1.00 3.51 N ATOM 2398 CA ASP A 155 -13.023 6.159 -3.299 1.00 11.41 C ATOM 2399 C ASP A 155 -14.009 6.484 -2.138 1.00 25.24 C ATOM 2400 O ASP A 155 -14.639 7.540 -2.124 1.00 64.41 O ATOM 2401 CB ASP A 155 -13.690 5.295 -4.398 1.00 74.55 C ATOM 2402 CG ASP A 155 -14.951 5.932 -5.003 1.00 22.25 C ATOM 2403 OD1 ASP A 155 -14.843 7.012 -5.622 1.00 0.23 O ATOM 2404 OD2 ASP A 155 -16.054 5.362 -4.854 1.00 32.55 O ATOM 0 H ASP A 155 -11.707 4.518 -3.177 1.00 3.51 H new ATOM 0 HA ASP A 155 -12.727 7.110 -3.741 1.00 11.41 H new ATOM 0 HB2 ASP A 155 -12.968 5.114 -5.194 1.00 74.55 H new ATOM 0 HB3 ASP A 155 -13.950 4.324 -3.977 1.00 74.55 H new ATOM 2409 N ALA A 156 -14.089 5.568 -1.154 1.00 43.23 N ATOM 2410 CA ALA A 156 -14.842 5.776 0.110 1.00 2.52 C ATOM 2411 C ALA A 156 -14.220 6.890 0.991 1.00 21.43 C ATOM 2412 O ALA A 156 -14.912 7.500 1.786 1.00 71.02 O ATOM 2413 CB ALA A 156 -14.948 4.455 0.895 1.00 51.10 C ATOM 0 H ALA A 156 -13.633 4.657 -1.208 1.00 43.23 H new ATOM 0 HA ALA A 156 -15.844 6.109 -0.161 1.00 2.52 H new ATOM 0 HB1 ALA A 156 -15.502 4.624 1.818 1.00 51.10 H new ATOM 0 HB2 ALA A 156 -15.469 3.713 0.290 1.00 51.10 H new ATOM 0 HB3 ALA A 156 -13.948 4.092 1.133 1.00 51.10 H new ATOM 2419 N VAL A 157 -12.897 7.101 0.883 1.00 12.01 N ATOM 2420 CA VAL A 157 -12.186 8.178 1.635 1.00 43.21 C ATOM 2421 C VAL A 157 -12.510 9.578 1.047 1.00 52.40 C ATOM 2422 O VAL A 157 -12.837 10.519 1.783 1.00 52.14 O ATOM 2423 CB VAL A 157 -10.624 7.966 1.614 1.00 11.54 C ATOM 2424 CG1 VAL A 157 -9.878 9.035 2.460 1.00 44.42 C ATOM 2425 CG2 VAL A 157 -10.245 6.538 2.063 1.00 35.21 C ATOM 0 H VAL A 157 -12.287 6.545 0.284 1.00 12.01 H new ATOM 0 HA VAL A 157 -12.538 8.125 2.665 1.00 43.21 H new ATOM 0 HB VAL A 157 -10.301 8.091 0.581 1.00 11.54 H new ATOM 0 HG11 VAL A 157 -8.805 8.849 2.416 1.00 44.42 H new ATOM 0 HG12 VAL A 157 -10.091 10.027 2.062 1.00 44.42 H new ATOM 0 HG13 VAL A 157 -10.214 8.979 3.495 1.00 44.42 H new ATOM 0 HG21 VAL A 157 -9.161 6.424 2.037 1.00 35.21 H new ATOM 0 HG22 VAL A 157 -10.604 6.369 3.078 1.00 35.21 H new ATOM 0 HG23 VAL A 157 -10.702 5.812 1.391 1.00 35.21 H new ATOM 2435 N LEU A 158 -12.417 9.683 -0.292 1.00 55.54 N ATOM 2436 CA LEU A 158 -12.549 10.964 -1.025 1.00 33.54 C ATOM 2437 C LEU A 158 -14.025 11.404 -1.150 1.00 74.11 C ATOM 2438 O LEU A 158 -14.340 12.592 -1.046 1.00 3.02 O ATOM 2439 CB LEU A 158 -11.892 10.833 -2.428 1.00 20.40 C ATOM 2440 CG LEU A 158 -10.389 10.397 -2.430 1.00 22.02 C ATOM 2441 CD1 LEU A 158 -9.818 10.317 -3.860 1.00 4.35 C ATOM 2442 CD2 LEU A 158 -9.542 11.321 -1.528 1.00 71.32 C ATOM 0 H LEU A 158 -12.248 8.882 -0.901 1.00 55.54 H new ATOM 0 HA LEU A 158 -12.033 11.737 -0.456 1.00 33.54 H new ATOM 0 HB2 LEU A 158 -12.463 10.110 -3.011 1.00 20.40 H new ATOM 0 HB3 LEU A 158 -11.975 11.792 -2.940 1.00 20.40 H new ATOM 0 HG LEU A 158 -10.338 9.391 -2.013 1.00 22.02 H new ATOM 0 HD11 LEU A 158 -8.773 10.011 -3.818 1.00 4.35 H new ATOM 0 HD12 LEU A 158 -10.386 9.588 -4.438 1.00 4.35 H new ATOM 0 HD13 LEU A 158 -9.891 11.295 -4.336 1.00 4.35 H new ATOM 0 HD21 LEU A 158 -8.502 10.995 -1.548 1.00 71.32 H new ATOM 0 HD22 LEU A 158 -9.608 12.346 -1.893 1.00 71.32 H new ATOM 0 HD23 LEU A 158 -9.917 11.275 -0.506 1.00 71.32 H new ATOM 2454 N SER A 159 -14.914 10.425 -1.371 1.00 34.10 N ATOM 2455 CA SER A 159 -16.374 10.659 -1.447 1.00 30.13 C ATOM 2456 C SER A 159 -16.988 10.699 -0.031 1.00 24.33 C ATOM 2457 O SER A 159 -17.540 11.719 0.398 1.00 22.33 O ATOM 2458 CB SER A 159 -17.045 9.532 -2.269 1.00 35.12 C ATOM 2459 OG SER A 159 -18.428 9.779 -2.496 1.00 21.13 O ATOM 0 H SER A 159 -14.648 9.449 -1.503 1.00 34.10 H new ATOM 0 HA SER A 159 -16.547 11.618 -1.935 1.00 30.13 H new ATOM 0 HB2 SER A 159 -16.534 9.431 -3.227 1.00 35.12 H new ATOM 0 HB3 SER A 159 -16.929 8.584 -1.744 1.00 35.12 H new ATOM 0 HG SER A 159 -18.810 9.044 -3.019 1.00 21.13 H new