USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1061 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 114 SER OG : rot -170:sc= 0.809 USER MOD Set 1.2: A 117 THR OG1 : rot 114:sc= 0.919 USER MOD Set 2.1: A 79 MET CE :methyl -125:sc= -0.484 (180deg=-1.4) USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.3 K(o=-0.18,f=-7.6!) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -3.55! C(o=-3.8!,f=-5.5!) USER MOD Set 3.2: A 33 GLN :FLIP amide:sc= -0.278 F(o=-6.8,f=-3.8) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 66:sc= 0.569 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 45 HIS : no HD1:sc= 0.281 K(o=0.28,f=-2.2) USER MOD Single : A 46 THR OG1 : rot 160:sc= -1.17 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0.117 USER MOD Single : A 78 THR OG1 : rot -92:sc= 0.427 USER MOD Single : A 87 THR OG1 : rot 149:sc= 0.153 USER MOD Single : A 88 ASN : amide:sc= 0.522 K(o=0.52,f=-7.8!) USER MOD Single : A 102 HIS : no HE2:sc= -1.07! X(o=-1.1!,f=-1.5) USER MOD Single : A 103 CYS SG : rot -87:sc= -3.08! USER MOD Single : A 104 THR OG1 : rot -111:sc= 0.846 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -146:sc= 0 (180deg=-0.968) USER MOD Single : A 113 CYS SG : rot 75:sc= -2.63! USER MOD Single : A 123 SER OG : rot 67:sc= 0.554 USER MOD Single : A 135 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.73) USER MOD Single : A 141 TYR OH : rot 30:sc= -0.281 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.397 13.282 10.511 1.00 14.40 N ATOM 21 CA ALA A 2 -1.692 13.200 9.207 1.00 24.12 C ATOM 22 C ALA A 2 -1.575 11.716 8.746 1.00 31.30 C ATOM 23 O ALA A 2 -0.740 11.373 7.897 1.00 52.24 O ATOM 24 CB ALA A 2 -0.309 13.874 9.336 1.00 71.54 C ATOM 0 HA ALA A 2 -2.261 13.729 8.442 1.00 24.12 H new ATOM 0 HB1 ALA A 2 0.214 13.817 8.381 1.00 71.54 H new ATOM 0 HB2 ALA A 2 -0.438 14.919 9.617 1.00 71.54 H new ATOM 0 HB3 ALA A 2 0.275 13.362 10.101 1.00 71.54 H new ATOM 30 N THR A 3 -2.467 10.857 9.293 1.00 13.42 N ATOM 31 CA THR A 3 -2.467 9.396 9.064 1.00 72.54 C ATOM 32 C THR A 3 -3.706 8.990 8.233 1.00 1.11 C ATOM 33 O THR A 3 -4.847 9.219 8.638 1.00 73.54 O ATOM 34 CB THR A 3 -2.461 8.606 10.427 1.00 52.11 C ATOM 35 OG1 THR A 3 -1.381 9.072 11.258 1.00 61.53 O ATOM 36 CG2 THR A 3 -2.314 7.082 10.221 1.00 33.03 C ATOM 0 H THR A 3 -3.216 11.165 9.913 1.00 13.42 H new ATOM 0 HA THR A 3 -1.560 9.141 8.515 1.00 72.54 H new ATOM 0 HB THR A 3 -3.421 8.790 10.908 1.00 52.11 H new ATOM 0 HG1 THR A 3 -1.383 8.578 12.105 1.00 61.53 H new ATOM 0 HG21 THR A 3 -2.315 6.582 11.190 1.00 33.03 H new ATOM 0 HG22 THR A 3 -3.147 6.714 9.622 1.00 33.03 H new ATOM 0 HG23 THR A 3 -1.376 6.873 9.706 1.00 33.03 H new ATOM 44 N LEU A 4 -3.453 8.414 7.058 1.00 21.23 N ATOM 45 CA LEU A 4 -4.485 7.888 6.139 1.00 65.44 C ATOM 46 C LEU A 4 -4.641 6.380 6.385 1.00 24.33 C ATOM 47 O LEU A 4 -3.653 5.703 6.605 1.00 52.34 O ATOM 48 CB LEU A 4 -4.068 8.136 4.653 1.00 55.11 C ATOM 49 CG LEU A 4 -4.222 9.591 4.099 1.00 62.51 C ATOM 50 CD1 LEU A 4 -3.442 10.636 4.927 1.00 64.44 C ATOM 51 CD2 LEU A 4 -3.804 9.649 2.614 1.00 3.11 C ATOM 0 H LEU A 4 -2.505 8.293 6.702 1.00 21.23 H new ATOM 0 HA LEU A 4 -5.430 8.400 6.324 1.00 65.44 H new ATOM 0 HB2 LEU A 4 -3.025 7.841 4.542 1.00 55.11 H new ATOM 0 HB3 LEU A 4 -4.657 7.470 4.022 1.00 55.11 H new ATOM 0 HG LEU A 4 -5.277 9.852 4.186 1.00 62.51 H new ATOM 0 HD11 LEU A 4 -3.588 11.626 4.494 1.00 64.44 H new ATOM 0 HD12 LEU A 4 -3.807 10.632 5.954 1.00 64.44 H new ATOM 0 HD13 LEU A 4 -2.380 10.389 4.918 1.00 64.44 H new ATOM 0 HD21 LEU A 4 -3.917 10.668 2.244 1.00 3.11 H new ATOM 0 HD22 LEU A 4 -2.763 9.341 2.517 1.00 3.11 H new ATOM 0 HD23 LEU A 4 -4.437 8.979 2.032 1.00 3.11 H new ATOM 63 N ARG A 5 -5.878 5.868 6.367 1.00 42.21 N ATOM 64 CA ARG A 5 -6.139 4.419 6.502 1.00 5.13 C ATOM 65 C ARG A 5 -7.386 3.999 5.694 1.00 10.23 C ATOM 66 O ARG A 5 -8.472 4.559 5.864 1.00 41.24 O ATOM 67 CB ARG A 5 -6.296 4.039 7.999 1.00 30.30 C ATOM 68 CG ARG A 5 -6.539 2.532 8.261 1.00 25.34 C ATOM 69 CD ARG A 5 -6.595 2.192 9.758 1.00 72.21 C ATOM 70 NE ARG A 5 -7.686 2.900 10.457 1.00 42.13 N ATOM 71 CZ ARG A 5 -8.035 2.714 11.712 1.00 5.45 C ATOM 72 NH1 ARG A 5 -7.428 1.851 12.466 1.00 5.53 N ATOM 73 NH2 ARG A 5 -8.991 3.419 12.215 1.00 42.32 N ATOM 0 H ARG A 5 -6.720 6.433 6.260 1.00 42.21 H new ATOM 0 HA ARG A 5 -5.285 3.879 6.094 1.00 5.13 H new ATOM 0 HB2 ARG A 5 -5.398 4.347 8.534 1.00 30.30 H new ATOM 0 HB3 ARG A 5 -7.127 4.606 8.419 1.00 30.30 H new ATOM 0 HG2 ARG A 5 -7.475 2.232 7.789 1.00 25.34 H new ATOM 0 HG3 ARG A 5 -5.744 1.953 7.791 1.00 25.34 H new ATOM 0 HD2 ARG A 5 -6.728 1.117 9.879 1.00 72.21 H new ATOM 0 HD3 ARG A 5 -5.643 2.450 10.222 1.00 72.21 H new ATOM 0 HE ARG A 5 -8.213 3.591 9.923 1.00 42.13 H new ATOM 0 HH11 ARG A 5 -6.659 1.296 12.089 1.00 5.53 H new ATOM 0 HH12 ARG A 5 -7.719 1.727 13.436 1.00 5.53 H new ATOM 0 HH21 ARG A 5 -9.469 4.113 11.641 1.00 42.32 H new ATOM 0 HH22 ARG A 5 -9.269 3.282 13.187 1.00 42.32 H new ATOM 87 N ARG A 6 -7.200 2.989 4.830 1.00 14.13 N ATOM 88 CA ARG A 6 -8.242 2.427 3.943 1.00 21.40 C ATOM 89 C ARG A 6 -8.272 0.887 4.069 1.00 40.02 C ATOM 90 O ARG A 6 -7.286 0.287 4.494 1.00 4.41 O ATOM 91 CB ARG A 6 -7.978 2.846 2.467 1.00 42.23 C ATOM 92 CG ARG A 6 -8.129 4.358 2.147 1.00 30.11 C ATOM 93 CD ARG A 6 -9.595 4.860 2.196 1.00 61.13 C ATOM 94 NE ARG A 6 -10.127 4.942 3.574 1.00 34.12 N ATOM 95 CZ ARG A 6 -11.299 4.496 3.989 1.00 24.22 C ATOM 96 NH1 ARG A 6 -12.101 3.849 3.204 1.00 11.35 N ATOM 97 NH2 ARG A 6 -11.633 4.660 5.222 1.00 14.11 N ATOM 0 H ARG A 6 -6.298 2.525 4.723 1.00 14.13 H new ATOM 0 HA ARG A 6 -9.212 2.821 4.246 1.00 21.40 H new ATOM 0 HB2 ARG A 6 -6.967 2.538 2.199 1.00 42.23 H new ATOM 0 HB3 ARG A 6 -8.661 2.290 1.825 1.00 42.23 H new ATOM 0 HG2 ARG A 6 -7.533 4.932 2.857 1.00 30.11 H new ATOM 0 HG3 ARG A 6 -7.720 4.554 1.156 1.00 30.11 H new ATOM 0 HD2 ARG A 6 -9.653 5.844 1.730 1.00 61.13 H new ATOM 0 HD3 ARG A 6 -10.223 4.191 1.608 1.00 61.13 H new ATOM 0 HE ARG A 6 -9.530 5.386 4.272 1.00 34.12 H new ATOM 0 HH11 ARG A 6 -11.834 3.671 2.236 1.00 11.35 H new ATOM 0 HH12 ARG A 6 -13.000 3.517 3.554 1.00 11.35 H new ATOM 0 HH21 ARG A 6 -10.995 5.130 5.865 1.00 14.11 H new ATOM 0 HH22 ARG A 6 -12.535 4.320 5.556 1.00 14.11 H new ATOM 111 N SER A 7 -9.408 0.265 3.703 1.00 71.32 N ATOM 112 CA SER A 7 -9.600 -1.212 3.800 1.00 64.45 C ATOM 113 C SER A 7 -10.665 -1.727 2.796 1.00 64.30 C ATOM 114 O SER A 7 -11.563 -0.979 2.400 1.00 11.21 O ATOM 115 CB SER A 7 -10.005 -1.594 5.243 1.00 75.11 C ATOM 116 OG SER A 7 -11.177 -0.901 5.652 1.00 52.02 O ATOM 0 H SER A 7 -10.220 0.760 3.333 1.00 71.32 H new ATOM 0 HA SER A 7 -8.653 -1.687 3.545 1.00 64.45 H new ATOM 0 HB2 SER A 7 -10.176 -2.669 5.302 1.00 75.11 H new ATOM 0 HB3 SER A 7 -9.187 -1.364 5.926 1.00 75.11 H new ATOM 0 HG SER A 7 -11.410 -1.164 6.567 1.00 52.02 H new ATOM 122 N VAL A 8 -10.564 -3.023 2.412 1.00 73.23 N ATOM 123 CA VAL A 8 -11.465 -3.644 1.404 1.00 12.14 C ATOM 124 C VAL A 8 -11.616 -5.172 1.645 1.00 33.44 C ATOM 125 O VAL A 8 -10.661 -5.823 2.057 1.00 15.11 O ATOM 126 CB VAL A 8 -10.908 -3.390 -0.055 1.00 73.20 C ATOM 127 CG1 VAL A 8 -9.604 -4.198 -0.327 1.00 31.52 C ATOM 128 CG2 VAL A 8 -11.989 -3.657 -1.130 1.00 40.44 C ATOM 0 H VAL A 8 -9.864 -3.663 2.786 1.00 73.23 H new ATOM 0 HA VAL A 8 -12.447 -3.182 1.506 1.00 12.14 H new ATOM 0 HB VAL A 8 -10.643 -2.335 -0.121 1.00 73.20 H new ATOM 0 HG11 VAL A 8 -9.255 -3.995 -1.339 1.00 31.52 H new ATOM 0 HG12 VAL A 8 -8.836 -3.901 0.388 1.00 31.52 H new ATOM 0 HG13 VAL A 8 -9.807 -5.264 -0.220 1.00 31.52 H new ATOM 0 HG21 VAL A 8 -11.571 -3.473 -2.120 1.00 40.44 H new ATOM 0 HG22 VAL A 8 -12.320 -4.693 -1.063 1.00 40.44 H new ATOM 0 HG23 VAL A 8 -12.838 -2.993 -0.965 1.00 40.44 H new ATOM 138 N GLU A 9 -12.807 -5.741 1.365 1.00 30.51 N ATOM 139 CA GLU A 9 -13.048 -7.205 1.488 1.00 24.53 C ATOM 140 C GLU A 9 -12.667 -7.935 0.175 1.00 33.11 C ATOM 141 O GLU A 9 -13.353 -7.811 -0.843 1.00 10.53 O ATOM 142 CB GLU A 9 -14.533 -7.499 1.877 1.00 12.51 C ATOM 143 CG GLU A 9 -14.876 -7.270 3.369 1.00 22.13 C ATOM 144 CD GLU A 9 -14.678 -5.819 3.842 1.00 43.33 C ATOM 145 OE1 GLU A 9 -15.453 -4.935 3.412 1.00 74.21 O ATOM 146 OE2 GLU A 9 -13.743 -5.555 4.622 1.00 2.21 O ATOM 0 H GLU A 9 -13.621 -5.213 1.051 1.00 30.51 H new ATOM 0 HA GLU A 9 -12.412 -7.585 2.287 1.00 24.53 H new ATOM 0 HB2 GLU A 9 -15.183 -6.870 1.269 1.00 12.51 H new ATOM 0 HB3 GLU A 9 -14.762 -8.534 1.622 1.00 12.51 H new ATOM 0 HG2 GLU A 9 -15.913 -7.559 3.541 1.00 22.13 H new ATOM 0 HG3 GLU A 9 -14.256 -7.928 3.979 1.00 22.13 H new ATOM 153 N VAL A 10 -11.565 -8.691 0.228 1.00 11.11 N ATOM 154 CA VAL A 10 -11.052 -9.500 -0.894 1.00 63.20 C ATOM 155 C VAL A 10 -11.579 -10.951 -0.798 1.00 25.14 C ATOM 156 O VAL A 10 -11.605 -11.542 0.288 1.00 12.40 O ATOM 157 CB VAL A 10 -9.485 -9.492 -0.881 1.00 12.32 C ATOM 158 CG1 VAL A 10 -8.889 -10.391 -1.990 1.00 2.52 C ATOM 159 CG2 VAL A 10 -8.964 -8.037 -0.995 1.00 41.42 C ATOM 0 H VAL A 10 -10.990 -8.762 1.067 1.00 11.11 H new ATOM 0 HA VAL A 10 -11.403 -9.066 -1.830 1.00 63.20 H new ATOM 0 HB VAL A 10 -9.154 -9.911 0.069 1.00 12.32 H new ATOM 0 HG11 VAL A 10 -7.801 -10.354 -1.942 1.00 2.52 H new ATOM 0 HG12 VAL A 10 -9.224 -11.418 -1.845 1.00 2.52 H new ATOM 0 HG13 VAL A 10 -9.222 -10.035 -2.965 1.00 2.52 H new ATOM 0 HG21 VAL A 10 -7.874 -8.039 -0.985 1.00 41.42 H new ATOM 0 HG22 VAL A 10 -9.318 -7.596 -1.927 1.00 41.42 H new ATOM 0 HG23 VAL A 10 -9.333 -7.451 -0.153 1.00 41.42 H new ATOM 169 N ALA A 11 -11.986 -11.523 -1.945 1.00 55.14 N ATOM 170 CA ALA A 11 -12.482 -12.913 -2.032 1.00 63.31 C ATOM 171 C ALA A 11 -11.335 -13.961 -2.142 1.00 64.33 C ATOM 172 O ALA A 11 -11.447 -14.951 -2.874 1.00 41.13 O ATOM 173 CB ALA A 11 -13.443 -13.006 -3.221 1.00 3.21 C ATOM 0 H ALA A 11 -11.981 -11.036 -2.841 1.00 55.14 H new ATOM 0 HA ALA A 11 -13.004 -13.156 -1.106 1.00 63.31 H new ATOM 0 HB1 ALA A 11 -13.822 -14.025 -3.304 1.00 3.21 H new ATOM 0 HB2 ALA A 11 -14.277 -12.320 -3.070 1.00 3.21 H new ATOM 0 HB3 ALA A 11 -12.916 -12.739 -4.137 1.00 3.21 H new ATOM 179 N ALA A 12 -10.266 -13.764 -1.354 1.00 60.55 N ATOM 180 CA ALA A 12 -9.104 -14.675 -1.307 1.00 34.01 C ATOM 181 C ALA A 12 -8.576 -14.805 0.142 1.00 54.43 C ATOM 182 O ALA A 12 -8.705 -13.858 0.925 1.00 25.10 O ATOM 183 CB ALA A 12 -7.998 -14.172 -2.248 1.00 41.14 C ATOM 0 H ALA A 12 -10.180 -12.964 -0.727 1.00 60.55 H new ATOM 0 HA ALA A 12 -9.419 -15.663 -1.643 1.00 34.01 H new ATOM 0 HB1 ALA A 12 -7.147 -14.851 -2.205 1.00 41.14 H new ATOM 0 HB2 ALA A 12 -8.379 -14.132 -3.268 1.00 41.14 H new ATOM 0 HB3 ALA A 12 -7.683 -13.175 -1.939 1.00 41.14 H new ATOM 189 N PRO A 13 -8.011 -15.996 0.534 1.00 11.12 N ATOM 190 CA PRO A 13 -7.321 -16.159 1.842 1.00 63.33 C ATOM 191 C PRO A 13 -6.072 -15.236 1.973 1.00 44.11 C ATOM 192 O PRO A 13 -5.350 -15.006 0.992 1.00 31.34 O ATOM 193 CB PRO A 13 -6.934 -17.664 1.868 1.00 51.31 C ATOM 194 CG PRO A 13 -6.950 -18.094 0.431 1.00 21.15 C ATOM 195 CD PRO A 13 -8.026 -17.272 -0.239 1.00 73.44 C ATOM 0 HA PRO A 13 -7.954 -15.871 2.682 1.00 63.33 H new ATOM 0 HB2 PRO A 13 -5.950 -17.811 2.313 1.00 51.31 H new ATOM 0 HB3 PRO A 13 -7.642 -18.243 2.461 1.00 51.31 H new ATOM 0 HG2 PRO A 13 -5.981 -17.924 -0.038 1.00 21.15 H new ATOM 0 HG3 PRO A 13 -7.163 -19.160 0.345 1.00 21.15 H new ATOM 0 HD2 PRO A 13 -7.808 -17.106 -1.294 1.00 73.44 H new ATOM 0 HD3 PRO A 13 -8.998 -17.762 -0.188 1.00 73.44 H new ATOM 203 N ALA A 14 -5.858 -14.715 3.200 1.00 23.53 N ATOM 204 CA ALA A 14 -4.804 -13.723 3.537 1.00 53.02 C ATOM 205 C ALA A 14 -3.379 -14.123 3.087 1.00 14.03 C ATOM 206 O ALA A 14 -2.578 -13.255 2.758 1.00 74.20 O ATOM 207 CB ALA A 14 -4.831 -13.450 5.057 1.00 63.42 C ATOM 0 H ALA A 14 -6.425 -14.976 4.006 1.00 23.53 H new ATOM 0 HA ALA A 14 -5.038 -12.819 2.974 1.00 53.02 H new ATOM 0 HB1 ALA A 14 -4.059 -12.723 5.310 1.00 63.42 H new ATOM 0 HB2 ALA A 14 -5.807 -13.056 5.339 1.00 63.42 H new ATOM 0 HB3 ALA A 14 -4.645 -14.379 5.597 1.00 63.42 H new ATOM 213 N ALA A 15 -3.072 -15.432 3.107 1.00 64.25 N ATOM 214 CA ALA A 15 -1.763 -15.966 2.645 1.00 73.35 C ATOM 215 C ALA A 15 -1.542 -15.737 1.125 1.00 22.35 C ATOM 216 O ALA A 15 -0.476 -15.266 0.710 1.00 72.45 O ATOM 217 CB ALA A 15 -1.643 -17.457 2.990 1.00 10.50 C ATOM 0 H ALA A 15 -3.714 -16.151 3.440 1.00 64.25 H new ATOM 0 HA ALA A 15 -0.982 -15.416 3.170 1.00 73.35 H new ATOM 0 HB1 ALA A 15 -0.680 -17.834 2.646 1.00 10.50 H new ATOM 0 HB2 ALA A 15 -1.719 -17.588 4.069 1.00 10.50 H new ATOM 0 HB3 ALA A 15 -2.445 -18.009 2.500 1.00 10.50 H new ATOM 223 N ASP A 16 -2.546 -16.110 0.305 1.00 44.10 N ATOM 224 CA ASP A 16 -2.534 -15.878 -1.167 1.00 73.33 C ATOM 225 C ASP A 16 -2.433 -14.373 -1.520 1.00 23.42 C ATOM 226 O ASP A 16 -1.732 -13.987 -2.467 1.00 21.22 O ATOM 227 CB ASP A 16 -3.808 -16.491 -1.806 1.00 22.31 C ATOM 228 CG ASP A 16 -3.848 -18.031 -1.724 1.00 55.41 C ATOM 229 OD1 ASP A 16 -3.764 -18.582 -0.602 1.00 4.24 O ATOM 230 OD2 ASP A 16 -3.993 -18.694 -2.777 1.00 3.20 O ATOM 0 H ASP A 16 -3.389 -16.580 0.636 1.00 44.10 H new ATOM 0 HA ASP A 16 -1.647 -16.366 -1.571 1.00 73.33 H new ATOM 0 HB2 ASP A 16 -4.688 -16.084 -1.308 1.00 22.31 H new ATOM 0 HB3 ASP A 16 -3.864 -16.188 -2.851 1.00 22.31 H new ATOM 235 N VAL A 17 -3.139 -13.534 -0.748 1.00 30.22 N ATOM 236 CA VAL A 17 -3.108 -12.062 -0.908 1.00 61.21 C ATOM 237 C VAL A 17 -1.744 -11.483 -0.457 1.00 21.15 C ATOM 238 O VAL A 17 -1.249 -10.523 -1.038 1.00 62.13 O ATOM 239 CB VAL A 17 -4.276 -11.379 -0.113 1.00 54.51 C ATOM 240 CG1 VAL A 17 -4.245 -9.837 -0.272 1.00 22.20 C ATOM 241 CG2 VAL A 17 -5.644 -11.955 -0.551 1.00 3.03 C ATOM 0 H VAL A 17 -3.749 -13.851 0.006 1.00 30.22 H new ATOM 0 HA VAL A 17 -3.243 -11.846 -1.968 1.00 61.21 H new ATOM 0 HB VAL A 17 -4.134 -11.601 0.945 1.00 54.51 H new ATOM 0 HG11 VAL A 17 -5.068 -9.397 0.291 1.00 22.20 H new ATOM 0 HG12 VAL A 17 -3.298 -9.451 0.106 1.00 22.20 H new ATOM 0 HG13 VAL A 17 -4.347 -9.578 -1.326 1.00 22.20 H new ATOM 0 HG21 VAL A 17 -6.441 -11.469 0.012 1.00 3.03 H new ATOM 0 HG22 VAL A 17 -5.790 -11.775 -1.616 1.00 3.03 H new ATOM 0 HG23 VAL A 17 -5.666 -13.027 -0.358 1.00 3.03 H new ATOM 251 N TRP A 18 -1.150 -12.082 0.590 1.00 20.21 N ATOM 252 CA TRP A 18 0.186 -11.688 1.099 1.00 25.35 C ATOM 253 C TRP A 18 1.295 -12.051 0.078 1.00 21.25 C ATOM 254 O TRP A 18 2.316 -11.365 -0.021 1.00 33.24 O ATOM 255 CB TRP A 18 0.463 -12.341 2.484 1.00 53.13 C ATOM 256 CG TRP A 18 1.751 -11.873 3.129 1.00 63.12 C ATOM 257 CD1 TRP A 18 2.848 -12.629 3.454 1.00 50.55 C ATOM 258 CD2 TRP A 18 2.080 -10.522 3.500 1.00 11.13 C ATOM 259 NE1 TRP A 18 3.817 -11.832 4.001 1.00 4.30 N ATOM 260 CE2 TRP A 18 3.374 -10.542 4.037 1.00 21.41 C ATOM 261 CE3 TRP A 18 1.402 -9.299 3.422 1.00 14.34 C ATOM 262 CZ2 TRP A 18 4.006 -9.394 4.501 1.00 43.30 C ATOM 263 CZ3 TRP A 18 2.030 -8.159 3.881 1.00 22.04 C ATOM 264 CH2 TRP A 18 3.323 -8.219 4.411 1.00 14.13 C ATOM 0 H TRP A 18 -1.576 -12.850 1.109 1.00 20.21 H new ATOM 0 HA TRP A 18 0.195 -10.606 1.230 1.00 25.35 H new ATOM 0 HB2 TRP A 18 -0.369 -12.121 3.153 1.00 53.13 H new ATOM 0 HB3 TRP A 18 0.499 -13.424 2.365 1.00 53.13 H new ATOM 0 HD1 TRP A 18 2.934 -13.695 3.301 1.00 50.55 H new ATOM 0 HE1 TRP A 18 4.728 -12.152 4.330 1.00 4.30 H new ATOM 0 HE3 TRP A 18 0.405 -9.249 3.010 1.00 14.34 H new ATOM 0 HZ2 TRP A 18 5.002 -9.432 4.917 1.00 43.30 H new ATOM 0 HZ3 TRP A 18 1.517 -7.210 3.830 1.00 22.04 H new ATOM 0 HH2 TRP A 18 3.792 -7.310 4.758 1.00 14.13 H new ATOM 275 N THR A 19 1.072 -13.139 -0.677 1.00 43.53 N ATOM 276 CA THR A 19 1.925 -13.522 -1.825 1.00 64.33 C ATOM 277 C THR A 19 1.816 -12.471 -2.964 1.00 4.44 C ATOM 278 O THR A 19 2.778 -12.198 -3.667 1.00 74.22 O ATOM 279 CB THR A 19 1.528 -14.942 -2.367 1.00 51.42 C ATOM 280 OG1 THR A 19 1.602 -15.913 -1.301 1.00 12.12 O ATOM 281 CG2 THR A 19 2.423 -15.409 -3.532 1.00 22.03 C ATOM 0 H THR A 19 0.297 -13.781 -0.513 1.00 43.53 H new ATOM 0 HA THR A 19 2.957 -13.558 -1.477 1.00 64.33 H new ATOM 0 HB THR A 19 0.509 -14.860 -2.744 1.00 51.42 H new ATOM 0 HG1 THR A 19 0.921 -15.711 -0.626 1.00 12.12 H new ATOM 0 HG21 THR A 19 2.102 -16.396 -3.865 1.00 22.03 H new ATOM 0 HG22 THR A 19 2.342 -14.703 -4.359 1.00 22.03 H new ATOM 0 HG23 THR A 19 3.459 -15.459 -3.197 1.00 22.03 H new ATOM 289 N LEU A 20 0.630 -11.873 -3.106 1.00 14.13 N ATOM 290 CA LEU A 20 0.335 -10.868 -4.150 1.00 62.32 C ATOM 291 C LEU A 20 0.958 -9.472 -3.824 1.00 44.02 C ATOM 292 O LEU A 20 1.670 -8.887 -4.655 1.00 11.51 O ATOM 293 CB LEU A 20 -1.206 -10.789 -4.297 1.00 75.43 C ATOM 294 CG LEU A 20 -1.778 -9.735 -5.283 1.00 44.34 C ATOM 295 CD1 LEU A 20 -1.241 -9.919 -6.713 1.00 35.04 C ATOM 296 CD2 LEU A 20 -3.315 -9.761 -5.270 1.00 64.45 C ATOM 0 H LEU A 20 -0.165 -12.070 -2.498 1.00 14.13 H new ATOM 0 HA LEU A 20 0.790 -11.172 -5.092 1.00 62.32 H new ATOM 0 HB2 LEU A 20 -1.565 -11.770 -4.608 1.00 75.43 H new ATOM 0 HB3 LEU A 20 -1.628 -10.592 -3.312 1.00 75.43 H new ATOM 0 HG LEU A 20 -1.439 -8.757 -4.940 1.00 44.34 H new ATOM 0 HD11 LEU A 20 -1.671 -9.158 -7.364 1.00 35.04 H new ATOM 0 HD12 LEU A 20 -0.155 -9.822 -6.709 1.00 35.04 H new ATOM 0 HD13 LEU A 20 -1.516 -10.908 -7.080 1.00 35.04 H new ATOM 0 HD21 LEU A 20 -3.697 -9.016 -5.967 1.00 64.45 H new ATOM 0 HD22 LEU A 20 -3.665 -10.749 -5.568 1.00 64.45 H new ATOM 0 HD23 LEU A 20 -3.674 -9.536 -4.266 1.00 64.45 H new ATOM 308 N VAL A 21 0.670 -8.960 -2.615 1.00 34.32 N ATOM 309 CA VAL A 21 1.117 -7.612 -2.165 1.00 50.03 C ATOM 310 C VAL A 21 2.597 -7.586 -1.693 1.00 63.21 C ATOM 311 O VAL A 21 3.289 -6.579 -1.875 1.00 50.14 O ATOM 312 CB VAL A 21 0.185 -7.035 -1.027 1.00 33.23 C ATOM 313 CG1 VAL A 21 -1.283 -6.951 -1.500 1.00 32.44 C ATOM 314 CG2 VAL A 21 0.288 -7.853 0.289 1.00 4.41 C ATOM 0 H VAL A 21 0.122 -9.461 -1.916 1.00 34.32 H new ATOM 0 HA VAL A 21 1.041 -6.974 -3.046 1.00 50.03 H new ATOM 0 HB VAL A 21 0.539 -6.027 -0.812 1.00 33.23 H new ATOM 0 HG11 VAL A 21 -1.902 -6.551 -0.697 1.00 32.44 H new ATOM 0 HG12 VAL A 21 -1.348 -6.296 -2.369 1.00 32.44 H new ATOM 0 HG13 VAL A 21 -1.636 -7.947 -1.768 1.00 32.44 H new ATOM 0 HG21 VAL A 21 -0.371 -7.418 1.041 1.00 4.41 H new ATOM 0 HG22 VAL A 21 -0.009 -8.885 0.100 1.00 4.41 H new ATOM 0 HG23 VAL A 21 1.316 -7.832 0.651 1.00 4.41 H new ATOM 324 N GLY A 22 3.061 -8.712 -1.100 1.00 74.45 N ATOM 325 CA GLY A 22 4.408 -8.818 -0.497 1.00 41.43 C ATOM 326 C GLY A 22 5.565 -8.667 -1.492 1.00 13.02 C ATOM 327 O GLY A 22 6.654 -8.200 -1.125 1.00 33.23 O ATOM 0 H GLY A 22 2.513 -9.569 -1.027 1.00 74.45 H new ATOM 0 HA2 GLY A 22 4.508 -8.055 0.275 1.00 41.43 H new ATOM 0 HA3 GLY A 22 4.495 -9.785 -0.002 1.00 41.43 H new ATOM 331 N ASP A 23 5.345 -9.106 -2.751 1.00 32.53 N ATOM 332 CA ASP A 23 6.300 -8.857 -3.843 1.00 44.13 C ATOM 333 C ASP A 23 6.248 -7.369 -4.261 1.00 0.55 C ATOM 334 O ASP A 23 5.385 -6.957 -5.045 1.00 53.12 O ATOM 335 CB ASP A 23 6.022 -9.765 -5.066 1.00 65.42 C ATOM 336 CG ASP A 23 6.302 -11.247 -4.790 1.00 61.12 C ATOM 337 OD1 ASP A 23 7.477 -11.666 -4.881 1.00 20.22 O ATOM 338 OD2 ASP A 23 5.363 -11.998 -4.474 1.00 72.34 O ATOM 0 H ASP A 23 4.517 -9.632 -3.031 1.00 32.53 H new ATOM 0 HA ASP A 23 7.298 -9.096 -3.475 1.00 44.13 H new ATOM 0 HB2 ASP A 23 4.981 -9.648 -5.369 1.00 65.42 H new ATOM 0 HB3 ASP A 23 6.637 -9.435 -5.903 1.00 65.42 H new ATOM 343 N PHE A 24 7.166 -6.562 -3.701 1.00 51.04 N ATOM 344 CA PHE A 24 7.320 -5.131 -4.060 1.00 65.34 C ATOM 345 C PHE A 24 7.832 -4.941 -5.517 1.00 62.55 C ATOM 346 O PHE A 24 7.711 -3.853 -6.086 1.00 30.12 O ATOM 347 CB PHE A 24 8.256 -4.419 -3.020 1.00 64.31 C ATOM 348 CG PHE A 24 7.556 -3.510 -1.995 1.00 42.40 C ATOM 349 CD1 PHE A 24 6.183 -3.239 -2.057 1.00 10.43 C ATOM 350 CD2 PHE A 24 8.294 -2.897 -0.983 1.00 22.24 C ATOM 351 CE1 PHE A 24 5.582 -2.402 -1.135 1.00 42.33 C ATOM 352 CE2 PHE A 24 7.691 -2.062 -0.065 1.00 10.32 C ATOM 353 CZ PHE A 24 6.338 -1.814 -0.141 1.00 61.42 C ATOM 0 H PHE A 24 7.823 -6.877 -2.988 1.00 51.04 H new ATOM 0 HA PHE A 24 6.336 -4.665 -4.022 1.00 65.34 H new ATOM 0 HB2 PHE A 24 8.812 -5.184 -2.478 1.00 64.31 H new ATOM 0 HB3 PHE A 24 8.986 -3.822 -3.567 1.00 64.31 H new ATOM 0 HD1 PHE A 24 5.586 -3.690 -2.836 1.00 10.43 H new ATOM 0 HD2 PHE A 24 9.356 -3.079 -0.917 1.00 22.24 H new ATOM 0 HE1 PHE A 24 4.521 -2.208 -1.193 1.00 42.33 H new ATOM 0 HE2 PHE A 24 8.281 -1.602 0.714 1.00 10.32 H new ATOM 0 HZ PHE A 24 5.868 -1.159 0.578 1.00 61.42 H new ATOM 363 N SER A 25 8.407 -6.003 -6.100 1.00 42.11 N ATOM 364 CA SER A 25 8.796 -6.029 -7.531 1.00 71.11 C ATOM 365 C SER A 25 7.564 -6.253 -8.442 1.00 65.30 C ATOM 366 O SER A 25 7.527 -5.798 -9.590 1.00 54.43 O ATOM 367 CB SER A 25 9.825 -7.153 -7.792 1.00 64.01 C ATOM 368 OG SER A 25 9.267 -8.434 -7.543 1.00 25.50 O ATOM 0 H SER A 25 8.618 -6.868 -5.602 1.00 42.11 H new ATOM 0 HA SER A 25 9.240 -5.062 -7.766 1.00 71.11 H new ATOM 0 HB2 SER A 25 10.171 -7.099 -8.824 1.00 64.01 H new ATOM 0 HB3 SER A 25 10.697 -7.005 -7.156 1.00 64.01 H new ATOM 0 HG SER A 25 9.941 -9.124 -7.718 1.00 25.50 H new ATOM 374 N ALA A 26 6.540 -6.923 -7.893 1.00 23.24 N ATOM 375 CA ALA A 26 5.387 -7.441 -8.662 1.00 12.33 C ATOM 376 C ALA A 26 4.053 -6.908 -8.093 1.00 0.24 C ATOM 377 O ALA A 26 2.997 -7.532 -8.220 1.00 12.31 O ATOM 378 CB ALA A 26 5.444 -8.972 -8.665 1.00 31.11 C ATOM 0 H ALA A 26 6.484 -7.125 -6.895 1.00 23.24 H new ATOM 0 HA ALA A 26 5.441 -7.087 -9.692 1.00 12.33 H new ATOM 0 HB1 ALA A 26 4.599 -9.366 -9.229 1.00 31.11 H new ATOM 0 HB2 ALA A 26 6.374 -9.301 -9.128 1.00 31.11 H new ATOM 0 HB3 ALA A 26 5.399 -9.340 -7.640 1.00 31.11 H new ATOM 384 N ILE A 27 4.126 -5.709 -7.505 1.00 2.33 N ATOM 385 CA ILE A 27 2.949 -4.972 -6.976 1.00 52.21 C ATOM 386 C ILE A 27 1.965 -4.566 -8.119 1.00 1.42 C ATOM 387 O ILE A 27 0.755 -4.468 -7.910 1.00 52.03 O ATOM 388 CB ILE A 27 3.413 -3.714 -6.131 1.00 13.54 C ATOM 389 CG1 ILE A 27 2.194 -2.828 -5.709 1.00 52.52 C ATOM 390 CG2 ILE A 27 4.476 -2.886 -6.890 1.00 35.44 C ATOM 391 CD1 ILE A 27 2.483 -1.730 -4.701 1.00 10.43 C ATOM 0 H ILE A 27 5.006 -5.210 -7.377 1.00 2.33 H new ATOM 0 HA ILE A 27 2.403 -5.641 -6.311 1.00 52.21 H new ATOM 0 HB ILE A 27 3.878 -4.086 -5.218 1.00 13.54 H new ATOM 0 HG12 ILE A 27 1.777 -2.369 -6.605 1.00 52.52 H new ATOM 0 HG13 ILE A 27 1.424 -3.479 -5.296 1.00 52.52 H new ATOM 0 HG21 ILE A 27 4.773 -2.031 -6.283 1.00 35.44 H new ATOM 0 HG22 ILE A 27 5.348 -3.509 -7.090 1.00 35.44 H new ATOM 0 HG23 ILE A 27 4.058 -2.534 -7.833 1.00 35.44 H new ATOM 0 HD11 ILE A 27 1.565 -1.183 -4.485 1.00 10.43 H new ATOM 0 HD12 ILE A 27 2.867 -2.172 -3.781 1.00 10.43 H new ATOM 0 HD13 ILE A 27 3.225 -1.045 -5.112 1.00 10.43 H new ATOM 403 N HIS A 28 2.508 -4.398 -9.340 1.00 1.54 N ATOM 404 CA HIS A 28 1.722 -4.107 -10.574 1.00 5.12 C ATOM 405 C HIS A 28 0.669 -5.207 -10.939 1.00 33.11 C ATOM 406 O HIS A 28 -0.173 -4.982 -11.810 1.00 73.33 O ATOM 407 CB HIS A 28 2.699 -3.889 -11.763 1.00 13.04 C ATOM 408 CG HIS A 28 3.642 -5.046 -11.999 1.00 3.51 C ATOM 409 ND1 HIS A 28 3.300 -6.163 -12.726 1.00 11.41 N ATOM 410 CD2 HIS A 28 4.905 -5.272 -11.559 1.00 42.32 C ATOM 411 CE1 HIS A 28 4.301 -7.019 -12.720 1.00 32.34 C ATOM 412 NE2 HIS A 28 5.287 -6.501 -12.026 1.00 22.13 N ATOM 0 H HIS A 28 3.512 -4.459 -9.508 1.00 1.54 H new ATOM 0 HA HIS A 28 1.146 -3.204 -10.370 1.00 5.12 H new ATOM 0 HB2 HIS A 28 2.120 -3.714 -12.670 1.00 13.04 H new ATOM 0 HB3 HIS A 28 3.284 -2.988 -11.580 1.00 13.04 H new ATOM 0 HD2 HIS A 28 5.500 -4.605 -10.952 1.00 42.32 H new ATOM 0 HE1 HIS A 28 4.309 -7.984 -13.204 1.00 32.34 H new ATOM 0 HE2 HIS A 28 6.192 -6.943 -11.861 1.00 22.13 H new ATOM 421 N ARG A 29 0.741 -6.394 -10.289 1.00 70.01 N ATOM 422 CA ARG A 29 -0.220 -7.513 -10.524 1.00 31.25 C ATOM 423 C ARG A 29 -1.633 -7.214 -9.950 1.00 53.23 C ATOM 424 O ARG A 29 -2.627 -7.796 -10.403 1.00 64.23 O ATOM 425 CB ARG A 29 0.316 -8.828 -9.901 1.00 13.11 C ATOM 426 CG ARG A 29 1.654 -9.332 -10.483 1.00 65.45 C ATOM 427 CD ARG A 29 2.182 -10.586 -9.751 1.00 25.10 C ATOM 428 NE ARG A 29 2.355 -10.374 -8.289 1.00 64.45 N ATOM 429 CZ ARG A 29 2.953 -11.212 -7.457 1.00 14.10 C ATOM 430 NH1 ARG A 29 3.428 -12.348 -7.861 1.00 1.13 N ATOM 431 NH2 ARG A 29 3.070 -10.892 -6.213 1.00 14.10 N ATOM 0 H ARG A 29 1.456 -6.607 -9.594 1.00 70.01 H new ATOM 0 HA ARG A 29 -0.313 -7.622 -11.605 1.00 31.25 H new ATOM 0 HB2 ARG A 29 0.437 -8.680 -8.828 1.00 13.11 H new ATOM 0 HB3 ARG A 29 -0.435 -9.607 -10.032 1.00 13.11 H new ATOM 0 HG2 ARG A 29 1.523 -9.561 -11.541 1.00 65.45 H new ATOM 0 HG3 ARG A 29 2.397 -8.537 -10.418 1.00 65.45 H new ATOM 0 HD2 ARG A 29 1.491 -11.413 -9.914 1.00 25.10 H new ATOM 0 HD3 ARG A 29 3.138 -10.879 -10.186 1.00 25.10 H new ATOM 0 HE ARG A 29 1.982 -9.511 -7.895 1.00 64.45 H new ATOM 0 HH11 ARG A 29 3.346 -12.615 -8.842 1.00 1.13 H new ATOM 0 HH12 ARG A 29 3.884 -12.975 -7.198 1.00 1.13 H new ATOM 0 HH21 ARG A 29 2.703 -10.001 -5.879 1.00 14.10 H new ATOM 0 HH22 ARG A 29 3.529 -11.530 -5.563 1.00 14.10 H new ATOM 445 N TRP A 30 -1.702 -6.330 -8.936 1.00 61.12 N ATOM 446 CA TRP A 30 -2.979 -5.926 -8.291 1.00 61.24 C ATOM 447 C TRP A 30 -3.190 -4.404 -8.368 1.00 64.12 C ATOM 448 O TRP A 30 -4.332 -3.929 -8.410 1.00 32.53 O ATOM 449 CB TRP A 30 -3.024 -6.387 -6.812 1.00 23.33 C ATOM 450 CG TRP A 30 -1.953 -5.797 -5.904 1.00 3.12 C ATOM 451 CD1 TRP A 30 -0.671 -6.247 -5.738 1.00 42.20 C ATOM 452 CD2 TRP A 30 -2.089 -4.665 -5.020 1.00 73.02 C ATOM 453 NE1 TRP A 30 -0.014 -5.468 -4.825 1.00 55.11 N ATOM 454 CE2 TRP A 30 -0.862 -4.498 -4.368 1.00 24.50 C ATOM 455 CE3 TRP A 30 -3.132 -3.783 -4.724 1.00 34.54 C ATOM 456 CZ2 TRP A 30 -0.644 -3.487 -3.433 1.00 65.44 C ATOM 457 CZ3 TRP A 30 -2.919 -2.780 -3.796 1.00 31.50 C ATOM 458 CH2 TRP A 30 -1.682 -2.641 -3.158 1.00 41.12 C ATOM 0 H TRP A 30 -0.881 -5.874 -8.538 1.00 61.12 H new ATOM 0 HA TRP A 30 -3.785 -6.415 -8.838 1.00 61.24 H new ATOM 0 HB2 TRP A 30 -4.002 -6.135 -6.401 1.00 23.33 H new ATOM 0 HB3 TRP A 30 -2.938 -7.473 -6.786 1.00 23.33 H new ATOM 0 HD1 TRP A 30 -0.241 -7.093 -6.253 1.00 42.20 H new ATOM 0 HE1 TRP A 30 0.955 -5.591 -4.532 1.00 55.11 H new ATOM 0 HE3 TRP A 30 -4.090 -3.883 -5.213 1.00 34.54 H new ATOM 0 HZ2 TRP A 30 0.312 -3.376 -2.943 1.00 65.44 H new ATOM 0 HZ3 TRP A 30 -3.719 -2.094 -3.560 1.00 31.50 H new ATOM 0 HH2 TRP A 30 -1.544 -1.851 -2.435 1.00 41.12 H new ATOM 469 N HIS A 31 -2.075 -3.646 -8.346 1.00 22.34 N ATOM 470 CA HIS A 31 -2.101 -2.177 -8.355 1.00 62.34 C ATOM 471 C HIS A 31 -1.940 -1.645 -9.810 1.00 14.03 C ATOM 472 O HIS A 31 -0.826 -1.669 -10.352 1.00 43.04 O ATOM 473 CB HIS A 31 -1.002 -1.607 -7.429 1.00 42.54 C ATOM 474 CG HIS A 31 -1.283 -0.191 -7.014 1.00 70.25 C ATOM 475 ND1 HIS A 31 -0.750 0.889 -7.672 1.00 72.34 N ATOM 476 CD2 HIS A 31 -2.088 0.251 -6.029 1.00 22.11 C ATOM 477 CE1 HIS A 31 -1.250 1.949 -7.072 1.00 15.35 C ATOM 478 NE2 HIS A 31 -2.063 1.614 -6.073 1.00 63.11 N ATOM 0 H HIS A 31 -1.134 -4.039 -8.322 1.00 22.34 H new ATOM 0 HA HIS A 31 -3.065 -1.841 -7.974 1.00 62.34 H new ATOM 0 HB2 HIS A 31 -0.918 -2.233 -6.541 1.00 42.54 H new ATOM 0 HB3 HIS A 31 -0.041 -1.649 -7.941 1.00 42.54 H new ATOM 0 HD2 HIS A 31 -2.648 -0.359 -5.335 1.00 22.11 H new ATOM 0 HE1 HIS A 31 -1.027 2.967 -7.356 1.00 15.35 H new ATOM 0 HE2 HIS A 31 -2.569 2.253 -5.459 1.00 63.11 H new ATOM 486 N PRO A 32 -3.056 -1.163 -10.462 1.00 32.31 N ATOM 487 CA PRO A 32 -3.046 -0.732 -11.898 1.00 40.53 C ATOM 488 C PRO A 32 -2.143 0.499 -12.199 1.00 34.31 C ATOM 489 O PRO A 32 -1.823 0.766 -13.365 1.00 51.03 O ATOM 490 CB PRO A 32 -4.544 -0.403 -12.180 1.00 21.11 C ATOM 491 CG PRO A 32 -5.144 -0.132 -10.835 1.00 75.21 C ATOM 492 CD PRO A 32 -4.417 -1.030 -9.868 1.00 31.32 C ATOM 0 HA PRO A 32 -2.624 -1.511 -12.534 1.00 40.53 H new ATOM 0 HB2 PRO A 32 -4.641 0.462 -12.836 1.00 21.11 H new ATOM 0 HB3 PRO A 32 -5.044 -1.236 -12.674 1.00 21.11 H new ATOM 0 HG2 PRO A 32 -5.026 0.916 -10.559 1.00 75.21 H new ATOM 0 HG3 PRO A 32 -6.213 -0.343 -10.835 1.00 75.21 H new ATOM 0 HD2 PRO A 32 -4.377 -0.594 -8.870 1.00 31.32 H new ATOM 0 HD3 PRO A 32 -4.909 -1.998 -9.774 1.00 31.32 H new ATOM 500 N GLN A 33 -1.752 1.239 -11.152 1.00 61.43 N ATOM 501 CA GLN A 33 -0.986 2.501 -11.289 1.00 20.25 C ATOM 502 C GLN A 33 0.540 2.307 -11.154 1.00 24.11 C ATOM 503 O GLN A 33 1.297 3.244 -11.435 1.00 60.01 O ATOM 504 CB GLN A 33 -1.518 3.519 -10.256 1.00 12.05 C ATOM 505 CG GLN A 33 -2.959 4.014 -10.541 1.00 24.41 C ATOM 506 CD GLN A 33 -3.723 4.470 -9.299 1.00 52.55 C ATOM 507 OE1 GLN A 33 -3.605 3.730 -8.214 1.00 4.34 O flip ATOM 508 NE2 GLN A 33 -4.487 5.414 -9.343 1.00 45.31 N flip ATOM 0 H GLN A 33 -1.954 0.986 -10.185 1.00 61.43 H new ATOM 0 HA GLN A 33 -1.138 2.880 -12.300 1.00 20.25 H new ATOM 0 HB2 GLN A 33 -1.491 3.064 -9.266 1.00 12.05 H new ATOM 0 HB3 GLN A 33 -0.848 4.379 -10.230 1.00 12.05 H new ATOM 0 HG2 GLN A 33 -2.913 4.841 -11.249 1.00 24.41 H new ATOM 0 HG3 GLN A 33 -3.518 3.212 -11.023 1.00 24.41 H new ATOM 0 HE21 GLN A 33 -4.560 5.971 -10.194 1.00 45.31 H new ATOM 0 HE22 GLN A 33 -5.055 5.649 -8.529 1.00 45.31 H new ATOM 517 N VAL A 34 0.998 1.117 -10.712 1.00 32.25 N ATOM 518 CA VAL A 34 2.435 0.780 -10.758 1.00 32.21 C ATOM 519 C VAL A 34 2.864 0.451 -12.209 1.00 0.04 C ATOM 520 O VAL A 34 2.401 -0.533 -12.800 1.00 25.32 O ATOM 521 CB VAL A 34 2.797 -0.422 -9.818 1.00 12.15 C ATOM 522 CG1 VAL A 34 4.321 -0.725 -9.847 1.00 64.34 C ATOM 523 CG2 VAL A 34 2.309 -0.157 -8.378 1.00 62.24 C ATOM 0 H VAL A 34 0.404 0.384 -10.325 1.00 32.25 H new ATOM 0 HA VAL A 34 2.977 1.655 -10.401 1.00 32.21 H new ATOM 0 HB VAL A 34 2.281 -1.306 -10.193 1.00 12.15 H new ATOM 0 HG11 VAL A 34 4.538 -1.563 -9.185 1.00 64.34 H new ATOM 0 HG12 VAL A 34 4.622 -0.978 -10.863 1.00 64.34 H new ATOM 0 HG13 VAL A 34 4.873 0.154 -9.513 1.00 64.34 H new ATOM 0 HG21 VAL A 34 2.571 -1.004 -7.743 1.00 62.24 H new ATOM 0 HG22 VAL A 34 2.784 0.745 -7.993 1.00 62.24 H new ATOM 0 HG23 VAL A 34 1.227 -0.025 -8.379 1.00 62.24 H new ATOM 533 N SER A 35 3.770 1.276 -12.762 1.00 64.25 N ATOM 534 CA SER A 35 4.327 1.097 -14.131 1.00 61.13 C ATOM 535 C SER A 35 5.567 0.159 -14.141 1.00 44.32 C ATOM 536 O SER A 35 6.430 0.271 -15.023 1.00 14.14 O ATOM 537 CB SER A 35 4.694 2.487 -14.711 1.00 30.31 C ATOM 538 OG SER A 35 3.546 3.310 -14.848 1.00 3.13 O ATOM 0 H SER A 35 4.144 2.092 -12.277 1.00 64.25 H new ATOM 0 HA SER A 35 3.567 0.621 -14.751 1.00 61.13 H new ATOM 0 HB2 SER A 35 5.418 2.975 -14.059 1.00 30.31 H new ATOM 0 HB3 SER A 35 5.173 2.363 -15.682 1.00 30.31 H new ATOM 0 HG SER A 35 3.809 4.180 -15.214 1.00 3.13 H new ATOM 544 N ALA A 36 5.583 -0.793 -13.180 1.00 40.23 N ATOM 545 CA ALA A 36 6.694 -1.749 -12.923 1.00 5.44 C ATOM 546 C ALA A 36 7.966 -1.029 -12.371 1.00 55.33 C ATOM 547 O ALA A 36 8.482 -0.107 -13.004 1.00 12.43 O ATOM 548 CB ALA A 36 7.015 -2.621 -14.156 1.00 72.31 C ATOM 0 H ALA A 36 4.800 -0.924 -12.540 1.00 40.23 H new ATOM 0 HA ALA A 36 6.347 -2.428 -12.144 1.00 5.44 H new ATOM 0 HB1 ALA A 36 7.832 -3.302 -13.917 1.00 72.31 H new ATOM 0 HB2 ALA A 36 6.132 -3.197 -14.434 1.00 72.31 H new ATOM 0 HB3 ALA A 36 7.307 -1.981 -14.988 1.00 72.31 H new ATOM 554 N PRO A 37 8.466 -1.420 -11.148 1.00 11.25 N ATOM 555 CA PRO A 37 9.604 -0.740 -10.486 1.00 11.30 C ATOM 556 C PRO A 37 11.011 -1.391 -10.704 1.00 34.41 C ATOM 557 O PRO A 37 11.132 -2.597 -10.947 1.00 12.42 O ATOM 558 CB PRO A 37 9.158 -0.831 -9.020 1.00 22.23 C ATOM 559 CG PRO A 37 8.470 -2.168 -8.898 1.00 24.45 C ATOM 560 CD PRO A 37 7.934 -2.510 -10.285 1.00 13.32 C ATOM 0 HA PRO A 37 9.775 0.261 -10.882 1.00 11.30 H new ATOM 0 HB2 PRO A 37 10.011 -0.764 -8.344 1.00 22.23 H new ATOM 0 HB3 PRO A 37 8.482 -0.015 -8.763 1.00 22.23 H new ATOM 0 HG2 PRO A 37 9.166 -2.932 -8.552 1.00 24.45 H new ATOM 0 HG3 PRO A 37 7.660 -2.122 -8.170 1.00 24.45 H new ATOM 0 HD2 PRO A 37 8.280 -3.489 -10.618 1.00 13.32 H new ATOM 0 HD3 PRO A 37 6.844 -2.535 -10.298 1.00 13.32 H new ATOM 568 N THR A 38 12.071 -0.562 -10.577 1.00 61.41 N ATOM 569 CA THR A 38 13.491 -1.004 -10.678 1.00 43.23 C ATOM 570 C THR A 38 14.099 -1.142 -9.271 1.00 24.30 C ATOM 571 O THR A 38 14.129 -0.170 -8.515 1.00 71.12 O ATOM 572 CB THR A 38 14.351 0.005 -11.512 1.00 13.25 C ATOM 573 OG1 THR A 38 13.855 0.056 -12.850 1.00 23.22 O ATOM 574 CG2 THR A 38 15.855 -0.353 -11.542 1.00 74.42 C ATOM 0 H THR A 38 11.971 0.438 -10.401 1.00 61.41 H new ATOM 0 HA THR A 38 13.501 -1.968 -11.187 1.00 43.23 H new ATOM 0 HB THR A 38 14.263 0.975 -11.022 1.00 13.25 H new ATOM 0 HG1 THR A 38 14.391 0.688 -13.374 1.00 23.22 H new ATOM 0 HG21 THR A 38 16.393 0.386 -12.136 1.00 74.42 H new ATOM 0 HG22 THR A 38 16.248 -0.357 -10.525 1.00 74.42 H new ATOM 0 HG23 THR A 38 15.985 -1.340 -11.986 1.00 74.42 H new ATOM 582 N LEU A 39 14.620 -2.334 -8.949 1.00 41.33 N ATOM 583 CA LEU A 39 15.085 -2.668 -7.584 1.00 32.34 C ATOM 584 C LEU A 39 16.511 -2.146 -7.306 1.00 30.32 C ATOM 585 O LEU A 39 17.459 -2.454 -8.034 1.00 13.11 O ATOM 586 CB LEU A 39 14.978 -4.206 -7.334 1.00 25.01 C ATOM 587 CG LEU A 39 13.599 -4.706 -6.800 1.00 13.21 C ATOM 588 CD1 LEU A 39 13.298 -4.076 -5.430 1.00 71.23 C ATOM 589 CD2 LEU A 39 12.451 -4.440 -7.804 1.00 45.05 C ATOM 0 H LEU A 39 14.733 -3.094 -9.619 1.00 41.33 H new ATOM 0 HA LEU A 39 14.429 -2.158 -6.879 1.00 32.34 H new ATOM 0 HB2 LEU A 39 15.196 -4.724 -8.268 1.00 25.01 H new ATOM 0 HB3 LEU A 39 15.750 -4.495 -6.621 1.00 25.01 H new ATOM 0 HG LEU A 39 13.664 -5.787 -6.681 1.00 13.21 H new ATOM 0 HD11 LEU A 39 12.333 -4.433 -5.069 1.00 71.23 H new ATOM 0 HD12 LEU A 39 14.077 -4.357 -4.721 1.00 71.23 H new ATOM 0 HD13 LEU A 39 13.270 -2.991 -5.527 1.00 71.23 H new ATOM 0 HD21 LEU A 39 11.512 -4.805 -7.388 1.00 45.05 H new ATOM 0 HD22 LEU A 39 12.373 -3.369 -7.992 1.00 45.05 H new ATOM 0 HD23 LEU A 39 12.659 -4.958 -8.740 1.00 45.05 H new ATOM 601 N ARG A 40 16.626 -1.335 -6.240 1.00 43.11 N ATOM 602 CA ARG A 40 17.893 -0.763 -5.754 1.00 41.22 C ATOM 603 C ARG A 40 18.380 -1.530 -4.497 1.00 24.11 C ATOM 604 O ARG A 40 17.682 -1.540 -3.472 1.00 63.31 O ATOM 605 CB ARG A 40 17.656 0.732 -5.394 1.00 3.44 C ATOM 606 CG ARG A 40 17.049 1.592 -6.531 1.00 21.45 C ATOM 607 CD ARG A 40 18.055 1.892 -7.656 1.00 44.23 C ATOM 608 NE ARG A 40 19.207 2.673 -7.152 1.00 61.14 N ATOM 609 CZ ARG A 40 19.789 3.682 -7.766 1.00 34.44 C ATOM 610 NH1 ARG A 40 19.353 4.125 -8.910 1.00 14.22 N ATOM 611 NH2 ARG A 40 20.792 4.266 -7.202 1.00 11.24 N ATOM 0 H ARG A 40 15.822 -1.053 -5.680 1.00 43.11 H new ATOM 0 HA ARG A 40 18.654 -0.848 -6.530 1.00 41.22 H new ATOM 0 HB2 ARG A 40 16.994 0.781 -4.529 1.00 3.44 H new ATOM 0 HB3 ARG A 40 18.607 1.173 -5.094 1.00 3.44 H new ATOM 0 HG2 ARG A 40 16.186 1.074 -6.950 1.00 21.45 H new ATOM 0 HG3 ARG A 40 16.686 2.532 -6.115 1.00 21.45 H new ATOM 0 HD2 ARG A 40 18.409 0.957 -8.090 1.00 44.23 H new ATOM 0 HD3 ARG A 40 17.558 2.445 -8.453 1.00 44.23 H new ATOM 0 HE ARG A 40 19.586 2.404 -6.244 1.00 61.14 H new ATOM 0 HH11 ARG A 40 18.543 3.689 -9.351 1.00 14.22 H new ATOM 0 HH12 ARG A 40 19.821 4.908 -9.366 1.00 14.22 H new ATOM 0 HH21 ARG A 40 21.124 3.945 -6.293 1.00 11.24 H new ATOM 0 HH22 ARG A 40 21.253 5.049 -7.666 1.00 11.24 H new ATOM 625 N GLY A 41 19.605 -2.099 -4.574 1.00 53.14 N ATOM 626 CA GLY A 41 20.236 -2.895 -3.497 1.00 1.11 C ATOM 627 C GLY A 41 19.373 -3.974 -2.797 1.00 1.21 C ATOM 628 O GLY A 41 18.227 -4.237 -3.179 1.00 53.31 O ATOM 0 H GLY A 41 20.194 -2.016 -5.403 1.00 53.14 H new ATOM 0 HA2 GLY A 41 21.114 -3.387 -3.915 1.00 1.11 H new ATOM 0 HA3 GLY A 41 20.592 -2.203 -2.733 1.00 1.11 H new ATOM 632 N ALA A 42 20.005 -4.640 -1.803 1.00 33.21 N ATOM 633 CA ALA A 42 19.405 -5.686 -0.929 1.00 14.42 C ATOM 634 C ALA A 42 18.449 -6.697 -1.659 1.00 5.20 C ATOM 635 O ALA A 42 18.926 -7.641 -2.303 1.00 73.41 O ATOM 636 CB ALA A 42 18.747 -5.034 0.304 1.00 21.41 C ATOM 0 H ALA A 42 20.983 -4.460 -1.576 1.00 33.21 H new ATOM 0 HA ALA A 42 20.231 -6.316 -0.600 1.00 14.42 H new ATOM 0 HB1 ALA A 42 18.312 -5.808 0.936 1.00 21.41 H new ATOM 0 HB2 ALA A 42 19.499 -4.484 0.870 1.00 21.41 H new ATOM 0 HB3 ALA A 42 17.965 -4.348 -0.021 1.00 21.41 H new ATOM 642 N SER A 43 17.118 -6.463 -1.583 1.00 1.34 N ATOM 643 CA SER A 43 16.069 -7.359 -2.153 1.00 71.22 C ATOM 644 C SER A 43 14.659 -6.742 -1.951 1.00 64.54 C ATOM 645 O SER A 43 14.433 -6.054 -0.949 1.00 21.24 O ATOM 646 CB SER A 43 16.107 -8.772 -1.489 1.00 11.33 C ATOM 647 OG SER A 43 15.016 -9.591 -1.897 1.00 71.02 O ATOM 0 H SER A 43 16.732 -5.640 -1.121 1.00 1.34 H new ATOM 0 HA SER A 43 16.275 -7.465 -3.218 1.00 71.22 H new ATOM 0 HB2 SER A 43 17.044 -9.266 -1.745 1.00 11.33 H new ATOM 0 HB3 SER A 43 16.090 -8.662 -0.405 1.00 11.33 H new ATOM 0 HG SER A 43 15.081 -10.465 -1.459 1.00 71.02 H new ATOM 653 N PRO A 44 13.666 -7.002 -2.874 1.00 53.32 N ATOM 654 CA PRO A 44 12.241 -6.573 -2.680 1.00 30.22 C ATOM 655 C PRO A 44 11.567 -7.200 -1.424 1.00 4.01 C ATOM 656 O PRO A 44 10.473 -6.788 -1.023 1.00 22.14 O ATOM 657 CB PRO A 44 11.546 -7.045 -3.993 1.00 31.12 C ATOM 658 CG PRO A 44 12.441 -8.128 -4.524 1.00 33.23 C ATOM 659 CD PRO A 44 13.845 -7.698 -4.180 1.00 33.12 C ATOM 0 HA PRO A 44 12.164 -5.500 -2.501 1.00 30.22 H new ATOM 0 HB2 PRO A 44 10.542 -7.421 -3.798 1.00 31.12 H new ATOM 0 HB3 PRO A 44 11.447 -6.227 -4.706 1.00 31.12 H new ATOM 0 HG2 PRO A 44 12.203 -9.090 -4.071 1.00 33.23 H new ATOM 0 HG3 PRO A 44 12.319 -8.244 -5.601 1.00 33.23 H new ATOM 0 HD2 PRO A 44 14.520 -8.550 -4.095 1.00 33.12 H new ATOM 0 HD3 PRO A 44 14.262 -7.035 -4.938 1.00 33.12 H new ATOM 667 N HIS A 45 12.228 -8.214 -0.824 1.00 73.21 N ATOM 668 CA HIS A 45 11.782 -8.863 0.427 1.00 22.22 C ATOM 669 C HIS A 45 12.773 -8.628 1.607 1.00 1.32 C ATOM 670 O HIS A 45 12.553 -9.144 2.699 1.00 34.41 O ATOM 671 CB HIS A 45 11.555 -10.380 0.180 1.00 74.50 C ATOM 672 CG HIS A 45 10.306 -10.688 -0.615 1.00 61.12 C ATOM 673 ND1 HIS A 45 9.132 -11.122 -0.033 1.00 30.51 N ATOM 674 CD2 HIS A 45 10.051 -10.622 -1.944 1.00 22.14 C ATOM 675 CE1 HIS A 45 8.219 -11.306 -0.960 1.00 62.13 C ATOM 676 NE2 HIS A 45 8.746 -11.012 -2.128 1.00 40.30 N ATOM 0 H HIS A 45 13.092 -8.607 -1.197 1.00 73.21 H new ATOM 0 HA HIS A 45 10.839 -8.402 0.723 1.00 22.22 H new ATOM 0 HB2 HIS A 45 12.419 -10.786 -0.346 1.00 74.50 H new ATOM 0 HB3 HIS A 45 11.498 -10.891 1.141 1.00 74.50 H new ATOM 0 HD2 HIS A 45 10.744 -10.319 -2.715 1.00 22.14 H new ATOM 0 HE1 HIS A 45 7.207 -11.642 -0.791 1.00 62.13 H new ATOM 0 HE2 HIS A 45 8.264 -11.065 -3.026 1.00 40.30 H new ATOM 685 N THR A 46 13.861 -7.864 1.400 1.00 54.44 N ATOM 686 CA THR A 46 14.776 -7.466 2.512 1.00 51.53 C ATOM 687 C THR A 46 14.423 -6.042 3.012 1.00 43.10 C ATOM 688 O THR A 46 14.506 -5.090 2.225 1.00 65.04 O ATOM 689 CB THR A 46 16.287 -7.516 2.094 1.00 42.21 C ATOM 690 OG1 THR A 46 16.643 -8.858 1.713 1.00 54.31 O ATOM 691 CG2 THR A 46 17.228 -7.047 3.226 1.00 60.55 C ATOM 0 H THR A 46 14.136 -7.507 0.485 1.00 54.44 H new ATOM 0 HA THR A 46 14.632 -8.190 3.314 1.00 51.53 H new ATOM 0 HB THR A 46 16.409 -6.833 1.253 1.00 42.21 H new ATOM 0 HG1 THR A 46 17.454 -8.838 1.163 1.00 54.31 H new ATOM 0 HG21 THR A 46 18.262 -7.101 2.885 1.00 60.55 H new ATOM 0 HG22 THR A 46 16.988 -6.019 3.496 1.00 60.55 H new ATOM 0 HG23 THR A 46 17.099 -7.690 4.096 1.00 60.55 H new ATOM 699 N PRO A 47 13.998 -5.875 4.319 1.00 33.55 N ATOM 700 CA PRO A 47 13.702 -4.542 4.913 1.00 0.50 C ATOM 701 C PRO A 47 14.922 -3.580 4.869 1.00 72.00 C ATOM 702 O PRO A 47 15.786 -3.589 5.752 1.00 61.53 O ATOM 703 CB PRO A 47 13.254 -4.878 6.370 1.00 4.54 C ATOM 704 CG PRO A 47 13.785 -6.250 6.634 1.00 32.53 C ATOM 705 CD PRO A 47 13.738 -6.965 5.303 1.00 72.44 C ATOM 0 HA PRO A 47 12.936 -4.002 4.357 1.00 0.50 H new ATOM 0 HB2 PRO A 47 13.655 -4.156 7.082 1.00 4.54 H new ATOM 0 HB3 PRO A 47 12.168 -4.850 6.465 1.00 4.54 H new ATOM 0 HG2 PRO A 47 14.803 -6.209 7.021 1.00 32.53 H new ATOM 0 HG3 PRO A 47 13.181 -6.768 7.379 1.00 32.53 H new ATOM 0 HD2 PRO A 47 14.491 -7.751 5.242 1.00 72.44 H new ATOM 0 HD3 PRO A 47 12.770 -7.437 5.134 1.00 72.44 H new ATOM 713 N GLY A 48 14.987 -2.785 3.788 1.00 53.43 N ATOM 714 CA GLY A 48 16.112 -1.887 3.530 1.00 54.13 C ATOM 715 C GLY A 48 16.108 -1.357 2.097 1.00 14.24 C ATOM 716 O GLY A 48 16.320 -0.161 1.870 1.00 14.25 O ATOM 0 H GLY A 48 14.260 -2.751 3.073 1.00 53.43 H new ATOM 0 HA2 GLY A 48 16.073 -1.049 4.226 1.00 54.13 H new ATOM 0 HA3 GLY A 48 17.047 -2.415 3.718 1.00 54.13 H new ATOM 720 N ALA A 49 15.818 -2.258 1.134 1.00 11.13 N ATOM 721 CA ALA A 49 15.916 -1.966 -0.319 1.00 21.52 C ATOM 722 C ALA A 49 14.879 -0.940 -0.822 1.00 30.44 C ATOM 723 O ALA A 49 13.864 -0.684 -0.175 1.00 30.45 O ATOM 724 CB ALA A 49 15.768 -3.260 -1.123 1.00 55.12 C ATOM 0 H ALA A 49 15.509 -3.209 1.338 1.00 11.13 H new ATOM 0 HA ALA A 49 16.900 -1.521 -0.469 1.00 21.52 H new ATOM 0 HB1 ALA A 49 15.841 -3.037 -2.188 1.00 55.12 H new ATOM 0 HB2 ALA A 49 16.559 -3.955 -0.843 1.00 55.12 H new ATOM 0 HB3 ALA A 49 14.798 -3.710 -0.912 1.00 55.12 H new ATOM 730 N GLU A 50 15.128 -0.414 -2.028 1.00 24.23 N ATOM 731 CA GLU A 50 14.282 0.611 -2.681 1.00 50.11 C ATOM 732 C GLU A 50 13.774 0.091 -4.040 1.00 53.30 C ATOM 733 O GLU A 50 14.268 -0.926 -4.537 1.00 2.33 O ATOM 734 CB GLU A 50 15.095 1.919 -2.887 1.00 61.30 C ATOM 735 CG GLU A 50 15.736 2.473 -1.607 1.00 53.51 C ATOM 736 CD GLU A 50 16.429 3.825 -1.814 1.00 62.52 C ATOM 737 OE1 GLU A 50 15.759 4.874 -1.686 1.00 0.21 O ATOM 738 OE2 GLU A 50 17.640 3.847 -2.112 1.00 43.52 O ATOM 0 H GLU A 50 15.933 -0.688 -2.591 1.00 24.23 H new ATOM 0 HA GLU A 50 13.426 0.821 -2.040 1.00 50.11 H new ATOM 0 HB2 GLU A 50 15.879 1.734 -3.621 1.00 61.30 H new ATOM 0 HB3 GLU A 50 14.437 2.679 -3.308 1.00 61.30 H new ATOM 0 HG2 GLU A 50 14.968 2.579 -0.841 1.00 53.51 H new ATOM 0 HG3 GLU A 50 16.463 1.753 -1.232 1.00 53.51 H new ATOM 745 N ARG A 51 12.747 0.751 -4.615 1.00 54.04 N ATOM 746 CA ARG A 51 12.334 0.507 -6.019 1.00 60.33 C ATOM 747 C ARG A 51 11.802 1.793 -6.694 1.00 53.01 C ATOM 748 O ARG A 51 11.179 2.641 -6.046 1.00 54.41 O ATOM 749 CB ARG A 51 11.293 -0.632 -6.090 1.00 61.32 C ATOM 750 CG ARG A 51 9.885 -0.302 -5.516 1.00 5.33 C ATOM 751 CD ARG A 51 9.333 -1.398 -4.584 1.00 43.53 C ATOM 752 NE ARG A 51 9.783 -1.208 -3.195 1.00 3.32 N ATOM 753 CZ ARG A 51 10.936 -1.552 -2.673 1.00 20.20 C ATOM 754 NH1 ARG A 51 11.739 -2.359 -3.272 1.00 65.20 N ATOM 755 NH2 ARG A 51 11.244 -1.100 -1.515 1.00 22.24 N ATOM 0 H ARG A 51 12.188 1.455 -4.133 1.00 54.04 H new ATOM 0 HA ARG A 51 13.219 0.198 -6.574 1.00 60.33 H new ATOM 0 HB2 ARG A 51 11.179 -0.929 -7.132 1.00 61.32 H new ATOM 0 HB3 ARG A 51 11.690 -1.495 -5.554 1.00 61.32 H new ATOM 0 HG2 ARG A 51 9.935 0.639 -4.968 1.00 5.33 H new ATOM 0 HG3 ARG A 51 9.190 -0.153 -6.342 1.00 5.33 H new ATOM 0 HD2 ARG A 51 8.244 -1.390 -4.618 1.00 43.53 H new ATOM 0 HD3 ARG A 51 9.656 -2.376 -4.941 1.00 43.53 H new ATOM 0 HE ARG A 51 9.120 -0.756 -2.565 1.00 3.32 H new ATOM 0 HH11 ARG A 51 11.486 -2.751 -4.179 1.00 65.20 H new ATOM 0 HH12 ARG A 51 12.629 -2.607 -2.840 1.00 65.20 H new ATOM 0 HH21 ARG A 51 10.598 -0.486 -1.019 1.00 22.24 H new ATOM 0 HH22 ARG A 51 12.135 -1.354 -1.089 1.00 22.24 H new ATOM 769 N VAL A 52 12.060 1.915 -8.016 1.00 1.22 N ATOM 770 CA VAL A 52 11.757 3.131 -8.798 1.00 72.33 C ATOM 771 C VAL A 52 10.723 2.834 -9.918 1.00 41.52 C ATOM 772 O VAL A 52 11.044 2.172 -10.910 1.00 60.04 O ATOM 773 CB VAL A 52 13.062 3.735 -9.438 1.00 42.53 C ATOM 774 CG1 VAL A 52 12.799 5.158 -9.983 1.00 71.23 C ATOM 775 CG2 VAL A 52 14.250 3.723 -8.448 1.00 3.51 C ATOM 0 H VAL A 52 12.485 1.171 -8.569 1.00 1.22 H new ATOM 0 HA VAL A 52 11.332 3.859 -8.107 1.00 72.33 H new ATOM 0 HB VAL A 52 13.341 3.097 -10.276 1.00 42.53 H new ATOM 0 HG11 VAL A 52 13.715 5.555 -10.420 1.00 71.23 H new ATOM 0 HG12 VAL A 52 12.021 5.118 -10.745 1.00 71.23 H new ATOM 0 HG13 VAL A 52 12.476 5.806 -9.168 1.00 71.23 H new ATOM 0 HG21 VAL A 52 15.130 4.148 -8.930 1.00 3.51 H new ATOM 0 HG22 VAL A 52 13.997 4.315 -7.568 1.00 3.51 H new ATOM 0 HG23 VAL A 52 14.462 2.697 -8.146 1.00 3.51 H new ATOM 785 N PHE A 53 9.490 3.329 -9.734 1.00 23.40 N ATOM 786 CA PHE A 53 8.371 3.171 -10.694 1.00 62.14 C ATOM 787 C PHE A 53 8.669 3.935 -12.012 1.00 33.31 C ATOM 788 O PHE A 53 8.689 5.170 -12.021 1.00 4.32 O ATOM 789 CB PHE A 53 7.050 3.706 -10.058 1.00 62.53 C ATOM 790 CG PHE A 53 6.516 2.966 -8.818 1.00 30.42 C ATOM 791 CD1 PHE A 53 7.344 2.217 -7.974 1.00 24.31 C ATOM 792 CD2 PHE A 53 5.161 3.043 -8.486 1.00 51.01 C ATOM 793 CE1 PHE A 53 6.840 1.577 -6.857 1.00 74.32 C ATOM 794 CE2 PHE A 53 4.661 2.399 -7.369 1.00 54.14 C ATOM 795 CZ PHE A 53 5.497 1.665 -6.557 1.00 23.12 C ATOM 0 H PHE A 53 9.231 3.860 -8.903 1.00 23.40 H new ATOM 0 HA PHE A 53 8.258 2.112 -10.926 1.00 62.14 H new ATOM 0 HB2 PHE A 53 7.204 4.751 -9.788 1.00 62.53 H new ATOM 0 HB3 PHE A 53 6.274 3.686 -10.823 1.00 62.53 H new ATOM 0 HD1 PHE A 53 8.397 2.137 -8.200 1.00 24.31 H new ATOM 0 HD2 PHE A 53 4.493 3.615 -9.112 1.00 51.01 H new ATOM 0 HE1 PHE A 53 7.499 1.007 -6.219 1.00 74.32 H new ATOM 0 HE2 PHE A 53 3.610 2.472 -7.132 1.00 54.14 H new ATOM 0 HZ PHE A 53 5.102 1.160 -5.688 1.00 23.12 H new ATOM 805 N GLY A 54 8.913 3.192 -13.111 1.00 64.12 N ATOM 806 CA GLY A 54 9.283 3.791 -14.410 1.00 63.23 C ATOM 807 C GLY A 54 10.808 3.837 -14.612 1.00 23.32 C ATOM 808 O GLY A 54 11.325 3.212 -15.544 1.00 52.41 O ATOM 0 H GLY A 54 8.860 2.173 -13.124 1.00 64.12 H new ATOM 0 HA2 GLY A 54 8.828 3.216 -15.217 1.00 63.23 H new ATOM 0 HA3 GLY A 54 8.879 4.801 -14.471 1.00 63.23 H new ATOM 812 N ALA A 55 11.501 4.608 -13.736 1.00 42.23 N ATOM 813 CA ALA A 55 12.995 4.659 -13.630 1.00 50.53 C ATOM 814 C ALA A 55 13.723 5.160 -14.913 1.00 51.44 C ATOM 815 O ALA A 55 13.699 4.497 -15.958 1.00 75.12 O ATOM 816 CB ALA A 55 13.557 3.298 -13.186 1.00 75.11 C ATOM 0 H ALA A 55 11.036 5.225 -13.069 1.00 42.23 H new ATOM 0 HA ALA A 55 13.202 5.411 -12.868 1.00 50.53 H new ATOM 0 HB1 ALA A 55 14.643 3.358 -13.116 1.00 75.11 H new ATOM 0 HB2 ALA A 55 13.144 3.034 -12.212 1.00 75.11 H new ATOM 0 HB3 ALA A 55 13.282 2.536 -13.915 1.00 75.11 H new ATOM 822 N GLY A 56 14.410 6.315 -14.808 1.00 51.11 N ATOM 823 CA GLY A 56 15.133 6.903 -15.955 1.00 62.52 C ATOM 824 C GLY A 56 14.220 7.725 -16.871 1.00 11.52 C ATOM 825 O GLY A 56 14.553 7.998 -18.033 1.00 41.45 O ATOM 0 H GLY A 56 14.480 6.857 -13.947 1.00 51.11 H new ATOM 0 HA2 GLY A 56 15.937 7.539 -15.585 1.00 62.52 H new ATOM 0 HA3 GLY A 56 15.598 6.105 -16.534 1.00 62.52 H new ATOM 829 N THR A 57 13.051 8.101 -16.331 1.00 23.14 N ATOM 830 CA THR A 57 12.061 8.978 -16.986 1.00 54.41 C ATOM 831 C THR A 57 12.281 10.445 -16.543 1.00 54.22 C ATOM 832 O THR A 57 13.286 10.760 -15.897 1.00 3.44 O ATOM 833 CB THR A 57 10.606 8.530 -16.598 1.00 35.02 C ATOM 834 OG1 THR A 57 10.405 8.643 -15.177 1.00 60.31 O ATOM 835 CG2 THR A 57 10.309 7.083 -17.021 1.00 35.24 C ATOM 0 H THR A 57 12.758 7.797 -15.403 1.00 23.14 H new ATOM 0 HA THR A 57 12.186 8.903 -18.066 1.00 54.41 H new ATOM 0 HB THR A 57 9.925 9.193 -17.131 1.00 35.02 H new ATOM 0 HG1 THR A 57 9.494 8.362 -14.952 1.00 60.31 H new ATOM 0 HG21 THR A 57 9.292 6.821 -16.731 1.00 35.24 H new ATOM 0 HG22 THR A 57 10.413 6.991 -18.102 1.00 35.24 H new ATOM 0 HG23 THR A 57 11.011 6.409 -16.530 1.00 35.24 H new ATOM 843 N GLU A 58 11.351 11.342 -16.908 1.00 13.30 N ATOM 844 CA GLU A 58 11.349 12.734 -16.393 1.00 72.22 C ATOM 845 C GLU A 58 10.508 12.835 -15.098 1.00 32.02 C ATOM 846 O GLU A 58 10.754 13.701 -14.248 1.00 41.20 O ATOM 847 CB GLU A 58 10.833 13.719 -17.479 1.00 41.14 C ATOM 848 CG GLU A 58 10.952 15.214 -17.099 1.00 23.40 C ATOM 849 CD GLU A 58 10.484 16.167 -18.211 1.00 13.01 C ATOM 850 OE1 GLU A 58 9.261 16.397 -18.337 1.00 75.13 O ATOM 851 OE2 GLU A 58 11.333 16.688 -18.965 1.00 23.53 O ATOM 0 H GLU A 58 10.590 11.136 -17.555 1.00 13.30 H new ATOM 0 HA GLU A 58 12.374 13.014 -16.148 1.00 72.22 H new ATOM 0 HB2 GLU A 58 11.388 13.546 -18.401 1.00 41.14 H new ATOM 0 HB3 GLU A 58 9.788 13.493 -17.689 1.00 41.14 H new ATOM 0 HG2 GLU A 58 10.364 15.400 -16.200 1.00 23.40 H new ATOM 0 HG3 GLU A 58 11.990 15.437 -16.853 1.00 23.40 H new ATOM 858 N GLU A 59 9.524 11.931 -14.949 1.00 34.34 N ATOM 859 CA GLU A 59 8.677 11.843 -13.742 1.00 54.22 C ATOM 860 C GLU A 59 8.521 10.369 -13.309 1.00 62.11 C ATOM 861 O GLU A 59 7.684 9.637 -13.842 1.00 41.14 O ATOM 862 CB GLU A 59 7.290 12.497 -14.014 1.00 41.51 C ATOM 863 CG GLU A 59 6.337 12.520 -12.799 1.00 54.24 C ATOM 864 CD GLU A 59 4.956 13.124 -13.118 1.00 35.15 C ATOM 865 OE1 GLU A 59 4.058 12.380 -13.573 1.00 52.22 O ATOM 866 OE2 GLU A 59 4.757 14.344 -12.914 1.00 32.34 O ATOM 0 H GLU A 59 9.292 11.239 -15.662 1.00 34.34 H new ATOM 0 HA GLU A 59 9.156 12.387 -12.928 1.00 54.22 H new ATOM 0 HB2 GLU A 59 7.447 13.520 -14.355 1.00 41.51 H new ATOM 0 HB3 GLU A 59 6.804 11.961 -14.829 1.00 41.51 H new ATOM 0 HG2 GLU A 59 6.204 11.503 -12.431 1.00 54.24 H new ATOM 0 HG3 GLU A 59 6.799 13.092 -11.995 1.00 54.24 H new ATOM 873 N GLU A 60 9.400 9.916 -12.401 1.00 33.01 N ATOM 874 CA GLU A 60 9.289 8.581 -11.745 1.00 74.31 C ATOM 875 C GLU A 60 8.973 8.715 -10.233 1.00 23.25 C ATOM 876 O GLU A 60 8.761 9.819 -9.721 1.00 62.21 O ATOM 877 CB GLU A 60 10.591 7.740 -11.952 1.00 54.45 C ATOM 878 CG GLU A 60 11.914 8.418 -11.519 1.00 64.21 C ATOM 879 CD GLU A 60 12.524 9.311 -12.608 1.00 23.30 C ATOM 880 OE1 GLU A 60 13.189 8.770 -13.512 1.00 54.53 O ATOM 881 OE2 GLU A 60 12.324 10.542 -12.581 1.00 55.11 O ATOM 0 H GLU A 60 10.210 10.455 -12.094 1.00 33.01 H new ATOM 0 HA GLU A 60 8.459 8.058 -12.220 1.00 74.31 H new ATOM 0 HB2 GLU A 60 10.488 6.806 -11.400 1.00 54.45 H new ATOM 0 HB3 GLU A 60 10.668 7.480 -13.008 1.00 54.45 H new ATOM 0 HG2 GLU A 60 11.732 9.018 -10.627 1.00 64.21 H new ATOM 0 HG3 GLU A 60 12.635 7.649 -11.244 1.00 64.21 H new ATOM 888 N LEU A 61 8.941 7.565 -9.529 1.00 51.53 N ATOM 889 CA LEU A 61 8.698 7.501 -8.069 1.00 53.01 C ATOM 890 C LEU A 61 9.698 6.532 -7.400 1.00 25.01 C ATOM 891 O LEU A 61 9.690 5.338 -7.693 1.00 71.15 O ATOM 892 CB LEU A 61 7.230 7.052 -7.790 1.00 74.25 C ATOM 893 CG LEU A 61 6.867 6.729 -6.300 1.00 51.24 C ATOM 894 CD1 LEU A 61 7.151 7.921 -5.364 1.00 43.20 C ATOM 895 CD2 LEU A 61 5.400 6.253 -6.175 1.00 32.22 C ATOM 0 H LEU A 61 9.083 6.650 -9.957 1.00 51.53 H new ATOM 0 HA LEU A 61 8.845 8.494 -7.644 1.00 53.01 H new ATOM 0 HB2 LEU A 61 6.561 7.837 -8.141 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.025 6.166 -8.391 1.00 74.25 H new ATOM 0 HG LEU A 61 7.514 5.912 -5.980 1.00 51.24 H new ATOM 0 HD11 LEU A 61 6.885 7.652 -4.342 1.00 43.20 H new ATOM 0 HD12 LEU A 61 8.210 8.174 -5.408 1.00 43.20 H new ATOM 0 HD13 LEU A 61 6.559 8.780 -5.679 1.00 43.20 H new ATOM 0 HD21 LEU A 61 5.176 6.036 -5.131 1.00 32.22 H new ATOM 0 HD22 LEU A 61 4.732 7.035 -6.535 1.00 32.22 H new ATOM 0 HD23 LEU A 61 5.258 5.352 -6.771 1.00 32.22 H new ATOM 907 N VAL A 62 10.545 7.049 -6.487 1.00 10.13 N ATOM 908 CA VAL A 62 11.463 6.212 -5.676 1.00 11.11 C ATOM 909 C VAL A 62 10.865 6.025 -4.264 1.00 11.54 C ATOM 910 O VAL A 62 10.595 7.011 -3.570 1.00 54.44 O ATOM 911 CB VAL A 62 12.906 6.842 -5.547 1.00 15.41 C ATOM 912 CG1 VAL A 62 13.879 5.893 -4.783 1.00 25.31 C ATOM 913 CG2 VAL A 62 13.480 7.234 -6.930 1.00 4.14 C ATOM 0 H VAL A 62 10.615 8.047 -6.290 1.00 10.13 H new ATOM 0 HA VAL A 62 11.568 5.255 -6.187 1.00 11.11 H new ATOM 0 HB VAL A 62 12.807 7.755 -4.960 1.00 15.41 H new ATOM 0 HG11 VAL A 62 14.862 6.359 -4.713 1.00 25.31 H new ATOM 0 HG12 VAL A 62 13.494 5.707 -3.780 1.00 25.31 H new ATOM 0 HG13 VAL A 62 13.963 4.948 -5.320 1.00 25.31 H new ATOM 0 HG21 VAL A 62 14.474 7.664 -6.803 1.00 4.14 H new ATOM 0 HG22 VAL A 62 13.546 6.348 -7.561 1.00 4.14 H new ATOM 0 HG23 VAL A 62 12.825 7.967 -7.401 1.00 4.14 H new ATOM 923 N GLU A 63 10.644 4.764 -3.860 1.00 44.11 N ATOM 924 CA GLU A 63 10.202 4.411 -2.489 1.00 12.12 C ATOM 925 C GLU A 63 11.204 3.412 -1.851 1.00 34.54 C ATOM 926 O GLU A 63 12.023 2.823 -2.551 1.00 53.13 O ATOM 927 CB GLU A 63 8.740 3.866 -2.505 1.00 65.02 C ATOM 928 CG GLU A 63 8.545 2.455 -3.132 1.00 63.23 C ATOM 929 CD GLU A 63 8.250 1.341 -2.099 1.00 11.24 C ATOM 930 OE1 GLU A 63 9.156 0.992 -1.300 1.00 22.54 O ATOM 931 OE2 GLU A 63 7.137 0.782 -2.112 1.00 32.24 O ATOM 0 H GLU A 63 10.765 3.956 -4.470 1.00 44.11 H new ATOM 0 HA GLU A 63 10.194 5.307 -1.868 1.00 12.12 H new ATOM 0 HB2 GLU A 63 8.372 3.840 -1.479 1.00 65.02 H new ATOM 0 HB3 GLU A 63 8.115 4.574 -3.050 1.00 65.02 H new ATOM 0 HG2 GLU A 63 7.725 2.498 -3.849 1.00 63.23 H new ATOM 0 HG3 GLU A 63 9.443 2.190 -3.690 1.00 63.23 H new ATOM 938 N ARG A 64 11.091 3.203 -0.531 1.00 70.35 N ATOM 939 CA ARG A 64 12.124 2.533 0.296 1.00 44.54 C ATOM 940 C ARG A 64 11.447 1.614 1.338 1.00 34.50 C ATOM 941 O ARG A 64 10.832 2.104 2.286 1.00 51.14 O ATOM 942 CB ARG A 64 13.008 3.642 0.979 1.00 2.32 C ATOM 943 CG ARG A 64 14.315 3.185 1.705 1.00 15.13 C ATOM 944 CD ARG A 64 14.110 2.587 3.114 1.00 31.04 C ATOM 945 NE ARG A 64 15.390 2.417 3.831 1.00 11.45 N ATOM 946 CZ ARG A 64 15.629 1.553 4.789 1.00 23.11 C ATOM 947 NH1 ARG A 64 14.745 0.680 5.156 1.00 44.34 N ATOM 948 NH2 ARG A 64 16.780 1.553 5.360 1.00 21.12 N ATOM 0 H ARG A 64 10.274 3.495 0.005 1.00 70.35 H new ATOM 0 HA ARG A 64 12.766 1.904 -0.321 1.00 44.54 H new ATOM 0 HB2 ARG A 64 13.285 4.368 0.214 1.00 2.32 H new ATOM 0 HB3 ARG A 64 12.387 4.166 1.705 1.00 2.32 H new ATOM 0 HG2 ARG A 64 14.817 2.444 1.083 1.00 15.13 H new ATOM 0 HG3 ARG A 64 14.985 4.041 1.785 1.00 15.13 H new ATOM 0 HD2 ARG A 64 13.453 3.237 3.692 1.00 31.04 H new ATOM 0 HD3 ARG A 64 13.610 1.622 3.030 1.00 31.04 H new ATOM 0 HE ARG A 64 16.159 3.028 3.556 1.00 11.45 H new ATOM 0 HH11 ARG A 64 13.835 0.652 4.697 1.00 44.34 H new ATOM 0 HH12 ARG A 64 14.959 0.021 5.904 1.00 44.34 H new ATOM 0 HH21 ARG A 64 17.495 2.219 5.067 1.00 21.12 H new ATOM 0 HH22 ARG A 64 16.979 0.887 6.106 1.00 21.12 H new ATOM 962 N LEU A 65 11.568 0.290 1.143 1.00 34.31 N ATOM 963 CA LEU A 65 11.097 -0.740 2.102 1.00 61.33 C ATOM 964 C LEU A 65 11.794 -0.577 3.478 1.00 1.25 C ATOM 965 O LEU A 65 12.977 -0.867 3.619 1.00 30.14 O ATOM 966 CB LEU A 65 11.363 -2.158 1.503 1.00 63.31 C ATOM 967 CG LEU A 65 11.037 -3.405 2.390 1.00 60.21 C ATOM 968 CD1 LEU A 65 9.600 -3.367 2.926 1.00 23.22 C ATOM 969 CD2 LEU A 65 11.295 -4.717 1.607 1.00 41.22 C ATOM 0 H LEU A 65 11.999 -0.106 0.308 1.00 34.31 H new ATOM 0 HA LEU A 65 10.026 -0.616 2.265 1.00 61.33 H new ATOM 0 HB2 LEU A 65 10.787 -2.244 0.582 1.00 63.31 H new ATOM 0 HB3 LEU A 65 12.416 -2.211 1.227 1.00 63.31 H new ATOM 0 HG LEU A 65 11.706 -3.375 3.250 1.00 60.21 H new ATOM 0 HD11 LEU A 65 9.416 -4.251 3.536 1.00 23.22 H new ATOM 0 HD12 LEU A 65 9.461 -2.472 3.532 1.00 23.22 H new ATOM 0 HD13 LEU A 65 8.900 -3.351 2.090 1.00 23.22 H new ATOM 0 HD21 LEU A 65 11.062 -5.572 2.242 1.00 41.22 H new ATOM 0 HD22 LEU A 65 10.663 -4.741 0.720 1.00 41.22 H new ATOM 0 HD23 LEU A 65 12.342 -4.762 1.308 1.00 41.22 H new ATOM 981 N VAL A 66 11.045 -0.064 4.467 1.00 11.41 N ATOM 982 CA VAL A 66 11.550 0.155 5.841 1.00 13.21 C ATOM 983 C VAL A 66 11.588 -1.165 6.642 1.00 44.11 C ATOM 984 O VAL A 66 12.623 -1.528 7.218 1.00 51.12 O ATOM 985 CB VAL A 66 10.676 1.225 6.601 1.00 24.22 C ATOM 986 CG1 VAL A 66 11.130 1.435 8.077 1.00 33.14 C ATOM 987 CG2 VAL A 66 10.664 2.565 5.829 1.00 30.23 C ATOM 0 H VAL A 66 10.071 0.212 4.341 1.00 11.41 H new ATOM 0 HA VAL A 66 12.568 0.534 5.756 1.00 13.21 H new ATOM 0 HB VAL A 66 9.660 0.834 6.642 1.00 24.22 H new ATOM 0 HG11 VAL A 66 10.493 2.182 8.551 1.00 33.14 H new ATOM 0 HG12 VAL A 66 11.050 0.493 8.620 1.00 33.14 H new ATOM 0 HG13 VAL A 66 12.165 1.777 8.094 1.00 33.14 H new ATOM 0 HG21 VAL A 66 10.056 3.291 6.369 1.00 30.23 H new ATOM 0 HG22 VAL A 66 11.683 2.942 5.738 1.00 30.23 H new ATOM 0 HG23 VAL A 66 10.245 2.409 4.835 1.00 30.23 H new ATOM 997 N GLU A 67 10.455 -1.887 6.642 1.00 12.52 N ATOM 998 CA GLU A 67 10.261 -3.089 7.484 1.00 72.54 C ATOM 999 C GLU A 67 9.314 -4.106 6.802 1.00 43.12 C ATOM 1000 O GLU A 67 8.461 -3.727 6.006 1.00 4.24 O ATOM 1001 CB GLU A 67 9.734 -2.644 8.877 1.00 61.42 C ATOM 1002 CG GLU A 67 9.425 -3.775 9.874 1.00 21.12 C ATOM 1003 CD GLU A 67 9.076 -3.260 11.279 1.00 11.42 C ATOM 1004 OE1 GLU A 67 8.043 -2.565 11.429 1.00 5.32 O ATOM 1005 OE2 GLU A 67 9.848 -3.512 12.232 1.00 3.10 O ATOM 0 H GLU A 67 9.648 -1.658 6.062 1.00 12.52 H new ATOM 0 HA GLU A 67 11.214 -3.602 7.616 1.00 72.54 H new ATOM 0 HB2 GLU A 67 10.472 -1.981 9.328 1.00 61.42 H new ATOM 0 HB3 GLU A 67 8.827 -2.058 8.730 1.00 61.42 H new ATOM 0 HG2 GLU A 67 8.594 -4.369 9.494 1.00 21.12 H new ATOM 0 HG3 GLU A 67 10.287 -4.439 9.940 1.00 21.12 H new ATOM 1012 N ARG A 68 9.499 -5.404 7.109 1.00 10.01 N ATOM 1013 CA ARG A 68 8.684 -6.512 6.552 1.00 54.00 C ATOM 1014 C ARG A 68 8.450 -7.603 7.623 1.00 25.54 C ATOM 1015 O ARG A 68 9.402 -8.070 8.258 1.00 11.25 O ATOM 1016 CB ARG A 68 9.392 -7.119 5.307 1.00 42.30 C ATOM 1017 CG ARG A 68 8.750 -8.418 4.744 1.00 61.01 C ATOM 1018 CD ARG A 68 9.556 -9.017 3.579 1.00 11.12 C ATOM 1019 NE ARG A 68 9.154 -10.402 3.267 1.00 51.53 N ATOM 1020 CZ ARG A 68 9.954 -11.457 3.235 1.00 44.33 C ATOM 1021 NH1 ARG A 68 11.207 -11.366 3.537 1.00 24.12 N ATOM 1022 NH2 ARG A 68 9.470 -12.614 2.935 1.00 54.35 N ATOM 0 H ARG A 68 10.222 -5.720 7.755 1.00 10.01 H new ATOM 0 HA ARG A 68 7.715 -6.116 6.248 1.00 54.00 H new ATOM 0 HB2 ARG A 68 9.407 -6.369 4.516 1.00 42.30 H new ATOM 0 HB3 ARG A 68 10.430 -7.329 5.566 1.00 42.30 H new ATOM 0 HG2 ARG A 68 8.670 -9.155 5.543 1.00 61.01 H new ATOM 0 HG3 ARG A 68 7.736 -8.202 4.407 1.00 61.01 H new ATOM 0 HD2 ARG A 68 9.425 -8.396 2.693 1.00 11.12 H new ATOM 0 HD3 ARG A 68 10.617 -8.997 3.828 1.00 11.12 H new ATOM 0 HE ARG A 68 8.169 -10.562 3.056 1.00 51.53 H new ATOM 0 HH11 ARG A 68 11.602 -10.466 3.808 1.00 24.12 H new ATOM 0 HH12 ARG A 68 11.801 -12.195 3.504 1.00 24.12 H new ATOM 0 HH21 ARG A 68 8.477 -12.712 2.724 1.00 54.35 H new ATOM 0 HH22 ARG A 68 10.080 -13.431 2.908 1.00 54.35 H new ATOM 1036 N ASP A 69 7.177 -8.007 7.794 1.00 40.51 N ATOM 1037 CA ASP A 69 6.752 -9.037 8.765 1.00 33.31 C ATOM 1038 C ASP A 69 5.740 -10.011 8.113 1.00 72.24 C ATOM 1039 O ASP A 69 4.674 -9.589 7.681 1.00 64.11 O ATOM 1040 CB ASP A 69 6.087 -8.372 10.003 1.00 65.40 C ATOM 1041 CG ASP A 69 6.992 -7.361 10.732 1.00 51.04 C ATOM 1042 OD1 ASP A 69 7.806 -7.788 11.581 1.00 3.12 O ATOM 1043 OD2 ASP A 69 6.886 -6.142 10.461 1.00 64.44 O ATOM 0 H ASP A 69 6.402 -7.622 7.254 1.00 40.51 H new ATOM 0 HA ASP A 69 7.637 -9.590 9.079 1.00 33.31 H new ATOM 0 HB2 ASP A 69 5.176 -7.865 9.685 1.00 65.40 H new ATOM 0 HB3 ASP A 69 5.790 -9.151 10.705 1.00 65.40 H new ATOM 1048 N GLU A 70 6.084 -11.301 8.027 1.00 70.32 N ATOM 1049 CA GLU A 70 5.124 -12.367 7.638 1.00 44.31 C ATOM 1050 C GLU A 70 4.259 -12.777 8.851 1.00 51.44 C ATOM 1051 O GLU A 70 3.070 -13.070 8.709 1.00 50.43 O ATOM 1052 CB GLU A 70 5.877 -13.606 7.069 1.00 30.35 C ATOM 1053 CG GLU A 70 6.393 -13.469 5.619 1.00 41.33 C ATOM 1054 CD GLU A 70 7.214 -12.197 5.349 1.00 24.01 C ATOM 1055 OE1 GLU A 70 8.300 -12.039 5.954 1.00 45.12 O ATOM 1056 OE2 GLU A 70 6.771 -11.349 4.543 1.00 74.02 O ATOM 0 H GLU A 70 7.025 -11.644 8.221 1.00 70.32 H new ATOM 0 HA GLU A 70 4.472 -11.974 6.858 1.00 44.31 H new ATOM 0 HB2 GLU A 70 6.726 -13.822 7.718 1.00 30.35 H new ATOM 0 HB3 GLU A 70 5.211 -14.467 7.118 1.00 30.35 H new ATOM 0 HG2 GLU A 70 7.006 -14.338 5.382 1.00 41.33 H new ATOM 0 HG3 GLU A 70 5.540 -13.486 4.941 1.00 41.33 H new ATOM 1063 N SER A 71 4.891 -12.785 10.042 1.00 13.14 N ATOM 1064 CA SER A 71 4.232 -13.132 11.327 1.00 42.51 C ATOM 1065 C SER A 71 3.108 -12.128 11.706 1.00 51.41 C ATOM 1066 O SER A 71 2.081 -12.521 12.263 1.00 33.42 O ATOM 1067 CB SER A 71 5.294 -13.195 12.449 1.00 74.33 C ATOM 1068 OG SER A 71 6.309 -14.141 12.145 1.00 32.14 O ATOM 0 H SER A 71 5.878 -12.550 10.145 1.00 13.14 H new ATOM 0 HA SER A 71 3.759 -14.106 11.206 1.00 42.51 H new ATOM 0 HB2 SER A 71 5.741 -12.210 12.586 1.00 74.33 H new ATOM 0 HB3 SER A 71 4.815 -13.462 13.391 1.00 74.33 H new ATOM 0 HG SER A 71 6.968 -14.159 12.870 1.00 32.14 H new ATOM 1074 N ALA A 72 3.328 -10.828 11.421 1.00 24.32 N ATOM 1075 CA ALA A 72 2.311 -9.760 11.640 1.00 41.32 C ATOM 1076 C ALA A 72 1.523 -9.443 10.343 1.00 22.43 C ATOM 1077 O ALA A 72 0.501 -8.747 10.392 1.00 63.32 O ATOM 1078 CB ALA A 72 2.987 -8.486 12.186 1.00 25.34 C ATOM 0 H ALA A 72 4.207 -10.483 11.035 1.00 24.32 H new ATOM 0 HA ALA A 72 1.595 -10.127 12.376 1.00 41.32 H new ATOM 0 HB1 ALA A 72 2.234 -7.713 12.342 1.00 25.34 H new ATOM 0 HB2 ALA A 72 3.477 -8.712 13.133 1.00 25.34 H new ATOM 0 HB3 ALA A 72 3.728 -8.132 11.469 1.00 25.34 H new ATOM 1084 N ARG A 73 2.029 -9.961 9.193 1.00 44.31 N ATOM 1085 CA ARG A 73 1.462 -9.729 7.835 1.00 71.01 C ATOM 1086 C ARG A 73 1.461 -8.205 7.511 1.00 3.51 C ATOM 1087 O ARG A 73 0.502 -7.647 6.970 1.00 0.43 O ATOM 1088 CB ARG A 73 0.056 -10.397 7.712 1.00 34.42 C ATOM 1089 CG ARG A 73 -0.315 -10.882 6.293 1.00 0.31 C ATOM 1090 CD ARG A 73 -1.631 -11.684 6.262 1.00 44.23 C ATOM 1091 NE ARG A 73 -1.599 -12.853 7.167 1.00 24.22 N ATOM 1092 CZ ARG A 73 -2.207 -12.949 8.341 1.00 11.32 C ATOM 1093 NH1 ARG A 73 -2.896 -11.960 8.834 1.00 11.13 N ATOM 1094 NH2 ARG A 73 -2.090 -14.032 9.027 1.00 24.21 N ATOM 0 H ARG A 73 2.854 -10.560 9.182 1.00 44.31 H new ATOM 0 HA ARG A 73 2.090 -10.205 7.082 1.00 71.01 H new ATOM 0 HB2 ARG A 73 0.014 -11.247 8.393 1.00 34.42 H new ATOM 0 HB3 ARG A 73 -0.699 -9.684 8.045 1.00 34.42 H new ATOM 0 HG2 ARG A 73 -0.404 -10.021 5.631 1.00 0.31 H new ATOM 0 HG3 ARG A 73 0.492 -11.502 5.903 1.00 0.31 H new ATOM 0 HD2 ARG A 73 -2.458 -11.032 6.544 1.00 44.23 H new ATOM 0 HD3 ARG A 73 -1.824 -12.021 5.244 1.00 44.23 H new ATOM 0 HE ARG A 73 -1.058 -13.661 6.859 1.00 24.22 H new ATOM 0 HH11 ARG A 73 -2.977 -11.086 8.314 1.00 11.13 H new ATOM 0 HH12 ARG A 73 -3.354 -12.059 9.740 1.00 11.13 H new ATOM 0 HH21 ARG A 73 -1.533 -14.807 8.666 1.00 24.21 H new ATOM 0 HH22 ARG A 73 -2.554 -14.115 9.931 1.00 24.21 H new ATOM 1108 N ARG A 74 2.614 -7.585 7.814 1.00 13.24 N ATOM 1109 CA ARG A 74 2.826 -6.125 7.827 1.00 13.22 C ATOM 1110 C ARG A 74 3.972 -5.720 6.861 1.00 24.22 C ATOM 1111 O ARG A 74 5.094 -6.201 6.995 1.00 32.21 O ATOM 1112 CB ARG A 74 3.163 -5.716 9.288 1.00 1.55 C ATOM 1113 CG ARG A 74 3.576 -4.246 9.481 1.00 54.24 C ATOM 1114 CD ARG A 74 3.778 -3.879 10.956 1.00 75.15 C ATOM 1115 NE ARG A 74 2.541 -4.096 11.732 1.00 65.35 N ATOM 1116 CZ ARG A 74 2.471 -4.564 12.957 1.00 5.30 C ATOM 1117 NH1 ARG A 74 3.540 -4.873 13.627 1.00 70.44 N ATOM 1118 NH2 ARG A 74 1.316 -4.732 13.505 1.00 12.14 N ATOM 0 H ARG A 74 3.455 -8.104 8.066 1.00 13.24 H new ATOM 0 HA ARG A 74 1.928 -5.610 7.485 1.00 13.22 H new ATOM 0 HB2 ARG A 74 2.294 -5.917 9.914 1.00 1.55 H new ATOM 0 HB3 ARG A 74 3.970 -6.353 9.649 1.00 1.55 H new ATOM 0 HG2 ARG A 74 4.499 -4.057 8.934 1.00 54.24 H new ATOM 0 HG3 ARG A 74 2.812 -3.598 9.051 1.00 54.24 H new ATOM 0 HD2 ARG A 74 4.585 -4.480 11.376 1.00 75.15 H new ATOM 0 HD3 ARG A 74 4.083 -2.836 11.036 1.00 75.15 H new ATOM 0 HE ARG A 74 1.660 -3.861 11.275 1.00 65.35 H new ATOM 0 HH11 ARG A 74 4.460 -4.754 13.203 1.00 70.44 H new ATOM 0 HH12 ARG A 74 3.460 -5.235 14.577 1.00 70.44 H new ATOM 0 HH21 ARG A 74 0.468 -4.502 12.987 1.00 12.14 H new ATOM 0 HH22 ARG A 74 1.251 -5.095 14.456 1.00 12.14 H new ATOM 1132 N LEU A 75 3.682 -4.831 5.899 1.00 23.34 N ATOM 1133 CA LEU A 75 4.656 -4.397 4.861 1.00 64.44 C ATOM 1134 C LEU A 75 4.828 -2.854 4.891 1.00 22.52 C ATOM 1135 O LEU A 75 3.977 -2.112 4.419 1.00 41.43 O ATOM 1136 CB LEU A 75 4.148 -4.911 3.480 1.00 73.34 C ATOM 1137 CG LEU A 75 4.876 -4.413 2.199 1.00 21.23 C ATOM 1138 CD1 LEU A 75 6.384 -4.659 2.283 1.00 3.41 C ATOM 1139 CD2 LEU A 75 4.264 -5.061 0.934 1.00 31.24 C ATOM 0 H LEU A 75 2.768 -4.387 5.810 1.00 23.34 H new ATOM 0 HA LEU A 75 5.642 -4.819 5.053 1.00 64.44 H new ATOM 0 HB2 LEU A 75 4.199 -6.000 3.490 1.00 73.34 H new ATOM 0 HB3 LEU A 75 3.095 -4.642 3.391 1.00 73.34 H new ATOM 0 HG LEU A 75 4.730 -3.335 2.126 1.00 21.23 H new ATOM 0 HD11 LEU A 75 6.863 -4.300 1.372 1.00 3.41 H new ATOM 0 HD12 LEU A 75 6.792 -4.126 3.142 1.00 3.41 H new ATOM 0 HD13 LEU A 75 6.573 -5.727 2.395 1.00 3.41 H new ATOM 0 HD21 LEU A 75 4.788 -4.699 0.050 1.00 31.24 H new ATOM 0 HD22 LEU A 75 4.363 -6.145 0.996 1.00 31.24 H new ATOM 0 HD23 LEU A 75 3.209 -4.797 0.864 1.00 31.24 H new ATOM 1151 N VAL A 76 5.976 -2.393 5.402 1.00 62.44 N ATOM 1152 CA VAL A 76 6.230 -0.961 5.710 1.00 42.31 C ATOM 1153 C VAL A 76 7.231 -0.330 4.706 1.00 22.13 C ATOM 1154 O VAL A 76 8.311 -0.874 4.493 1.00 31.43 O ATOM 1155 CB VAL A 76 6.807 -0.793 7.168 1.00 70.43 C ATOM 1156 CG1 VAL A 76 6.935 0.698 7.567 1.00 54.33 C ATOM 1157 CG2 VAL A 76 5.968 -1.575 8.208 1.00 52.34 C ATOM 0 H VAL A 76 6.767 -2.999 5.619 1.00 62.44 H new ATOM 0 HA VAL A 76 5.272 -0.448 5.630 1.00 42.31 H new ATOM 0 HB VAL A 76 7.810 -1.220 7.162 1.00 70.43 H new ATOM 0 HG11 VAL A 76 7.336 0.771 8.578 1.00 54.33 H new ATOM 0 HG12 VAL A 76 7.606 1.204 6.873 1.00 54.33 H new ATOM 0 HG13 VAL A 76 5.953 1.170 7.531 1.00 54.33 H new ATOM 0 HG21 VAL A 76 6.396 -1.435 9.200 1.00 52.34 H new ATOM 0 HG22 VAL A 76 4.942 -1.206 8.200 1.00 52.34 H new ATOM 0 HG23 VAL A 76 5.974 -2.636 7.957 1.00 52.34 H new ATOM 1167 N TYR A 77 6.878 0.835 4.127 1.00 32.20 N ATOM 1168 CA TYR A 77 7.754 1.587 3.201 1.00 63.12 C ATOM 1169 C TYR A 77 7.696 3.118 3.450 1.00 22.12 C ATOM 1170 O TYR A 77 6.888 3.612 4.241 1.00 20.22 O ATOM 1171 CB TYR A 77 7.406 1.255 1.724 1.00 51.30 C ATOM 1172 CG TYR A 77 6.007 1.703 1.245 1.00 74.40 C ATOM 1173 CD1 TYR A 77 4.855 0.987 1.592 1.00 50.02 C ATOM 1174 CD2 TYR A 77 5.844 2.835 0.429 1.00 42.53 C ATOM 1175 CE1 TYR A 77 3.601 1.379 1.150 1.00 22.32 C ATOM 1176 CE2 TYR A 77 4.595 3.230 -0.011 1.00 4.42 C ATOM 1177 CZ TYR A 77 3.477 2.502 0.348 1.00 34.31 C ATOM 1178 OH TYR A 77 2.226 2.908 -0.082 1.00 75.24 O ATOM 0 H TYR A 77 5.976 1.283 4.287 1.00 32.20 H new ATOM 0 HA TYR A 77 8.778 1.270 3.399 1.00 63.12 H new ATOM 0 HB2 TYR A 77 8.155 1.718 1.081 1.00 51.30 H new ATOM 0 HB3 TYR A 77 7.489 0.177 1.585 1.00 51.30 H new ATOM 0 HD1 TYR A 77 4.945 0.111 2.217 1.00 50.02 H new ATOM 0 HD2 TYR A 77 6.712 3.408 0.140 1.00 42.53 H new ATOM 0 HE1 TYR A 77 2.725 0.812 1.429 1.00 22.32 H new ATOM 0 HE2 TYR A 77 4.493 4.106 -0.634 1.00 4.42 H new ATOM 0 HH TYR A 77 2.315 3.712 -0.635 1.00 75.24 H new ATOM 1188 N THR A 78 8.580 3.843 2.744 1.00 30.32 N ATOM 1189 CA THR A 78 8.749 5.318 2.834 1.00 64.33 C ATOM 1190 C THR A 78 9.226 5.859 1.472 1.00 73.11 C ATOM 1191 O THR A 78 10.070 5.246 0.853 1.00 42.20 O ATOM 1192 CB THR A 78 9.802 5.697 3.949 1.00 53.33 C ATOM 1193 OG1 THR A 78 9.233 5.491 5.250 1.00 40.21 O ATOM 1194 CG2 THR A 78 10.327 7.146 3.848 1.00 63.02 C ATOM 0 H THR A 78 9.219 3.415 2.074 1.00 30.32 H new ATOM 0 HA THR A 78 7.790 5.764 3.099 1.00 64.33 H new ATOM 0 HB THR A 78 10.657 5.041 3.789 1.00 53.33 H new ATOM 0 HG1 THR A 78 8.825 6.325 5.565 1.00 40.21 H new ATOM 0 HG21 THR A 78 11.045 7.329 4.647 1.00 63.02 H new ATOM 0 HG22 THR A 78 10.813 7.290 2.883 1.00 63.02 H new ATOM 0 HG23 THR A 78 9.494 7.842 3.942 1.00 63.02 H new ATOM 1202 N MET A 79 8.700 7.010 1.019 1.00 40.42 N ATOM 1203 CA MET A 79 9.135 7.652 -0.246 1.00 74.23 C ATOM 1204 C MET A 79 10.228 8.724 0.033 1.00 30.21 C ATOM 1205 O MET A 79 9.918 9.786 0.579 1.00 11.04 O ATOM 1206 CB MET A 79 7.911 8.278 -0.980 1.00 5.30 C ATOM 1207 CG MET A 79 6.812 7.269 -1.357 1.00 44.13 C ATOM 1208 SD MET A 79 5.443 8.029 -2.269 1.00 1.22 S ATOM 1209 CE MET A 79 4.801 9.209 -1.080 1.00 64.30 C ATOM 0 H MET A 79 7.967 7.522 1.510 1.00 40.42 H new ATOM 0 HA MET A 79 9.570 6.891 -0.894 1.00 74.23 H new ATOM 0 HB2 MET A 79 7.477 9.049 -0.344 1.00 5.30 H new ATOM 0 HB3 MET A 79 8.260 8.772 -1.887 1.00 5.30 H new ATOM 0 HG2 MET A 79 7.248 6.473 -1.961 1.00 44.13 H new ATOM 0 HG3 MET A 79 6.425 6.805 -0.450 1.00 44.13 H new ATOM 0 HE1 MET A 79 3.736 9.030 -0.929 1.00 64.30 H new ATOM 0 HE2 MET A 79 5.327 9.093 -0.132 1.00 64.30 H new ATOM 0 HE3 MET A 79 4.949 10.221 -1.456 1.00 64.30 H new ATOM 1219 N PRO A 80 11.544 8.446 -0.290 1.00 2.51 N ATOM 1220 CA PRO A 80 12.628 9.467 -0.229 1.00 2.41 C ATOM 1221 C PRO A 80 12.538 10.489 -1.397 1.00 33.33 C ATOM 1222 O PRO A 80 13.136 11.571 -1.342 1.00 13.33 O ATOM 1223 CB PRO A 80 13.917 8.613 -0.317 1.00 32.34 C ATOM 1224 CG PRO A 80 13.506 7.411 -1.109 1.00 31.40 C ATOM 1225 CD PRO A 80 12.084 7.120 -0.691 1.00 42.10 C ATOM 0 HA PRO A 80 12.578 10.081 0.671 1.00 2.41 H new ATOM 0 HB2 PRO A 80 14.723 9.158 -0.809 1.00 32.34 H new ATOM 0 HB3 PRO A 80 14.278 8.334 0.673 1.00 32.34 H new ATOM 0 HG2 PRO A 80 13.568 7.606 -2.180 1.00 31.40 H new ATOM 0 HG3 PRO A 80 14.158 6.562 -0.901 1.00 31.40 H new ATOM 0 HD2 PRO A 80 11.509 6.687 -1.509 1.00 42.10 H new ATOM 0 HD3 PRO A 80 12.049 6.409 0.135 1.00 42.10 H new ATOM 1233 N ASP A 81 11.798 10.121 -2.461 1.00 13.05 N ATOM 1234 CA ASP A 81 11.446 11.028 -3.572 1.00 64.13 C ATOM 1235 C ASP A 81 9.902 11.029 -3.756 1.00 43.24 C ATOM 1236 O ASP A 81 9.378 10.335 -4.638 1.00 51.13 O ATOM 1237 CB ASP A 81 12.175 10.603 -4.874 1.00 53.11 C ATOM 1238 CG ASP A 81 13.709 10.708 -4.772 1.00 40.41 C ATOM 1239 OD1 ASP A 81 14.361 9.738 -4.324 1.00 62.14 O ATOM 1240 OD2 ASP A 81 14.268 11.768 -5.129 1.00 62.31 O ATOM 0 H ASP A 81 11.425 9.179 -2.575 1.00 13.05 H new ATOM 0 HA ASP A 81 11.771 12.042 -3.338 1.00 64.13 H new ATOM 0 HB2 ASP A 81 11.903 9.576 -5.117 1.00 53.11 H new ATOM 0 HB3 ASP A 81 11.828 11.227 -5.697 1.00 53.11 H new ATOM 1245 N PRO A 82 9.140 11.774 -2.878 1.00 50.33 N ATOM 1246 CA PRO A 82 7.662 11.819 -2.942 1.00 74.23 C ATOM 1247 C PRO A 82 7.135 12.767 -4.059 1.00 33.24 C ATOM 1248 O PRO A 82 7.693 13.849 -4.265 1.00 62.32 O ATOM 1249 CB PRO A 82 7.243 12.330 -1.522 1.00 33.23 C ATOM 1250 CG PRO A 82 8.526 12.480 -0.739 1.00 3.45 C ATOM 1251 CD PRO A 82 9.634 12.613 -1.758 1.00 73.14 C ATOM 0 HA PRO A 82 7.240 10.846 -3.192 1.00 74.23 H new ATOM 0 HB2 PRO A 82 6.714 13.280 -1.590 1.00 33.23 H new ATOM 0 HB3 PRO A 82 6.569 11.624 -1.036 1.00 33.23 H new ATOM 0 HG2 PRO A 82 8.486 13.356 -0.092 1.00 3.45 H new ATOM 0 HG3 PRO A 82 8.692 11.616 -0.096 1.00 3.45 H new ATOM 0 HD2 PRO A 82 9.784 13.649 -2.062 1.00 73.14 H new ATOM 0 HD3 PRO A 82 10.587 12.253 -1.371 1.00 73.14 H new ATOM 1259 N PRO A 83 6.045 12.384 -4.796 1.00 63.04 N ATOM 1260 CA PRO A 83 5.402 13.265 -5.806 1.00 11.12 C ATOM 1261 C PRO A 83 4.354 14.231 -5.176 1.00 72.14 C ATOM 1262 O PRO A 83 3.617 14.921 -5.887 1.00 13.45 O ATOM 1263 CB PRO A 83 4.753 12.236 -6.756 1.00 62.11 C ATOM 1264 CG PRO A 83 4.340 11.107 -5.854 1.00 4.15 C ATOM 1265 CD PRO A 83 5.352 11.067 -4.717 1.00 20.32 C ATOM 0 HA PRO A 83 6.100 13.941 -6.301 1.00 11.12 H new ATOM 0 HB2 PRO A 83 3.896 12.662 -7.278 1.00 62.11 H new ATOM 0 HB3 PRO A 83 5.456 11.900 -7.518 1.00 62.11 H new ATOM 0 HG2 PRO A 83 3.332 11.266 -5.470 1.00 4.15 H new ATOM 0 HG3 PRO A 83 4.329 10.162 -6.396 1.00 4.15 H new ATOM 0 HD2 PRO A 83 4.862 10.932 -3.753 1.00 20.32 H new ATOM 0 HD3 PRO A 83 6.053 10.241 -4.837 1.00 20.32 H new ATOM 1273 N PHE A 84 4.311 14.257 -3.830 1.00 75.51 N ATOM 1274 CA PHE A 84 3.409 15.121 -3.037 1.00 11.25 C ATOM 1275 C PHE A 84 4.243 15.929 -2.008 1.00 60.01 C ATOM 1276 O PHE A 84 5.208 15.384 -1.455 1.00 72.42 O ATOM 1277 CB PHE A 84 2.349 14.248 -2.306 1.00 43.03 C ATOM 1278 CG PHE A 84 1.512 13.376 -3.247 1.00 4.14 C ATOM 1279 CD1 PHE A 84 0.595 13.954 -4.126 1.00 15.42 C ATOM 1280 CD2 PHE A 84 1.648 11.985 -3.264 1.00 44.13 C ATOM 1281 CE1 PHE A 84 -0.152 13.176 -4.992 1.00 63.13 C ATOM 1282 CE2 PHE A 84 0.897 11.207 -4.130 1.00 35.02 C ATOM 1283 CZ PHE A 84 -0.002 11.803 -4.992 1.00 13.55 C ATOM 0 H PHE A 84 4.911 13.669 -3.252 1.00 75.51 H new ATOM 0 HA PHE A 84 2.892 15.814 -3.700 1.00 11.25 H new ATOM 0 HB2 PHE A 84 2.855 13.606 -1.585 1.00 43.03 H new ATOM 0 HB3 PHE A 84 1.683 14.899 -1.740 1.00 43.03 H new ATOM 0 HD1 PHE A 84 0.467 15.026 -4.130 1.00 15.42 H new ATOM 0 HD2 PHE A 84 2.348 11.510 -2.593 1.00 44.13 H new ATOM 0 HE1 PHE A 84 -0.853 13.642 -5.668 1.00 63.13 H new ATOM 0 HE2 PHE A 84 1.015 10.133 -4.131 1.00 35.02 H new ATOM 0 HZ PHE A 84 -0.588 11.196 -5.666 1.00 13.55 H new ATOM 1293 N PRO A 85 3.906 17.243 -1.748 1.00 32.14 N ATOM 1294 CA PRO A 85 4.644 18.080 -0.762 1.00 54.12 C ATOM 1295 C PRO A 85 4.496 17.578 0.708 1.00 60.54 C ATOM 1296 O PRO A 85 3.572 17.957 1.440 1.00 11.22 O ATOM 1297 CB PRO A 85 4.055 19.503 -0.966 1.00 32.53 C ATOM 1298 CG PRO A 85 2.709 19.280 -1.593 1.00 3.22 C ATOM 1299 CD PRO A 85 2.825 18.018 -2.422 1.00 61.42 C ATOM 0 HA PRO A 85 5.721 18.044 -0.927 1.00 54.12 H new ATOM 0 HB2 PRO A 85 3.966 20.033 -0.018 1.00 32.53 H new ATOM 0 HB3 PRO A 85 4.695 20.107 -1.609 1.00 32.53 H new ATOM 0 HG2 PRO A 85 1.938 19.173 -0.830 1.00 3.22 H new ATOM 0 HG3 PRO A 85 2.426 20.129 -2.216 1.00 3.22 H new ATOM 0 HD2 PRO A 85 1.887 17.463 -2.438 1.00 61.42 H new ATOM 0 HD3 PRO A 85 3.081 18.243 -3.458 1.00 61.42 H new ATOM 1307 N ILE A 86 5.408 16.662 1.091 1.00 43.45 N ATOM 1308 CA ILE A 86 5.538 16.106 2.462 1.00 73.02 C ATOM 1309 C ILE A 86 7.039 16.030 2.848 1.00 3.22 C ATOM 1310 O ILE A 86 7.915 16.209 1.991 1.00 13.31 O ATOM 1311 CB ILE A 86 4.868 14.675 2.581 1.00 0.41 C ATOM 1312 CG1 ILE A 86 5.486 13.677 1.548 1.00 72.12 C ATOM 1313 CG2 ILE A 86 3.334 14.764 2.419 1.00 73.42 C ATOM 1314 CD1 ILE A 86 4.822 12.309 1.489 1.00 73.22 C ATOM 0 H ILE A 86 6.094 16.276 0.442 1.00 43.45 H new ATOM 0 HA ILE A 86 5.013 16.769 3.150 1.00 73.02 H new ATOM 0 HB ILE A 86 5.076 14.292 3.580 1.00 0.41 H new ATOM 0 HG12 ILE A 86 5.438 14.129 0.557 1.00 72.12 H new ATOM 0 HG13 ILE A 86 6.541 13.541 1.786 1.00 72.12 H new ATOM 0 HG21 ILE A 86 2.901 13.768 2.505 1.00 73.42 H new ATOM 0 HG22 ILE A 86 2.923 15.407 3.197 1.00 73.42 H new ATOM 0 HG23 ILE A 86 3.095 15.180 1.440 1.00 73.42 H new ATOM 0 HD11 ILE A 86 5.324 11.693 0.743 1.00 73.22 H new ATOM 0 HD12 ILE A 86 4.893 11.828 2.464 1.00 73.22 H new ATOM 0 HD13 ILE A 86 3.773 12.425 1.217 1.00 73.22 H new ATOM 1326 N THR A 87 7.337 15.778 4.135 1.00 40.13 N ATOM 1327 CA THR A 87 8.738 15.731 4.632 1.00 3.13 C ATOM 1328 C THR A 87 9.315 14.286 4.622 1.00 61.05 C ATOM 1329 O THR A 87 9.979 13.894 3.659 1.00 71.43 O ATOM 1330 CB THR A 87 8.858 16.364 6.064 1.00 1.32 C ATOM 1331 OG1 THR A 87 8.275 17.678 6.066 1.00 35.02 O ATOM 1332 CG2 THR A 87 10.317 16.460 6.552 1.00 5.33 C ATOM 0 H THR A 87 6.634 15.603 4.853 1.00 40.13 H new ATOM 0 HA THR A 87 9.335 16.327 3.942 1.00 3.13 H new ATOM 0 HB THR A 87 8.323 15.704 6.748 1.00 1.32 H new ATOM 0 HG1 THR A 87 7.893 17.865 6.949 1.00 35.02 H new ATOM 0 HG21 THR A 87 10.339 16.905 7.547 1.00 5.33 H new ATOM 0 HG22 THR A 87 10.754 15.462 6.591 1.00 5.33 H new ATOM 0 HG23 THR A 87 10.891 17.081 5.864 1.00 5.33 H new ATOM 1340 N ASN A 88 9.041 13.491 5.683 1.00 65.42 N ATOM 1341 CA ASN A 88 9.697 12.171 5.892 1.00 54.13 C ATOM 1342 C ASN A 88 8.967 11.016 5.151 1.00 55.11 C ATOM 1343 O ASN A 88 9.610 10.187 4.506 1.00 31.40 O ATOM 1344 CB ASN A 88 9.812 11.864 7.421 1.00 41.32 C ATOM 1345 CG ASN A 88 8.456 11.744 8.148 1.00 11.32 C ATOM 1346 OD1 ASN A 88 7.474 12.374 7.776 1.00 64.24 O ATOM 1347 ND2 ASN A 88 8.395 10.936 9.185 1.00 42.24 N ATOM 0 H ASN A 88 8.370 13.738 6.410 1.00 65.42 H new ATOM 0 HA ASN A 88 10.696 12.234 5.461 1.00 54.13 H new ATOM 0 HB2 ASN A 88 10.365 10.934 7.552 1.00 41.32 H new ATOM 0 HB3 ASN A 88 10.397 12.652 7.895 1.00 41.32 H new ATOM 0 HD21 ASN A 88 7.518 10.826 9.695 1.00 42.24 H new ATOM 0 HD22 ASN A 88 9.224 10.420 9.479 1.00 42.24 H new ATOM 1354 N HIS A 89 7.624 11.007 5.267 1.00 45.32 N ATOM 1355 CA HIS A 89 6.718 9.926 4.793 1.00 34.23 C ATOM 1356 C HIS A 89 6.925 8.569 5.536 1.00 71.31 C ATOM 1357 O HIS A 89 8.037 8.181 5.887 1.00 45.20 O ATOM 1358 CB HIS A 89 6.785 9.710 3.252 1.00 63.14 C ATOM 1359 CG HIS A 89 5.759 8.716 2.742 1.00 71.11 C ATOM 1360 ND1 HIS A 89 6.115 7.459 2.323 1.00 25.12 N ATOM 1361 CD2 HIS A 89 4.406 8.830 2.670 1.00 2.20 C ATOM 1362 CE1 HIS A 89 4.992 6.843 2.015 1.00 51.21 C ATOM 1363 NE2 HIS A 89 3.929 7.634 2.208 1.00 72.05 N ATOM 0 H HIS A 89 7.117 11.775 5.707 1.00 45.32 H new ATOM 0 HA HIS A 89 5.719 10.285 5.041 1.00 34.23 H new ATOM 0 HB2 HIS A 89 6.635 10.666 2.751 1.00 63.14 H new ATOM 0 HB3 HIS A 89 7.783 9.362 2.984 1.00 63.14 H new ATOM 0 HD2 HIS A 89 3.820 9.699 2.928 1.00 2.20 H new ATOM 0 HE1 HIS A 89 4.936 5.827 1.652 1.00 51.21 H new ATOM 0 HE2 HIS A 89 2.952 7.392 2.042 1.00 72.05 H new ATOM 1371 N ARG A 90 5.807 7.883 5.795 1.00 13.21 N ATOM 1372 CA ARG A 90 5.775 6.468 6.216 1.00 12.11 C ATOM 1373 C ARG A 90 4.447 5.838 5.718 1.00 24.33 C ATOM 1374 O ARG A 90 3.457 6.550 5.528 1.00 21.05 O ATOM 1375 CB ARG A 90 5.903 6.369 7.767 1.00 43.41 C ATOM 1376 CG ARG A 90 6.199 4.954 8.318 1.00 71.10 C ATOM 1377 CD ARG A 90 7.564 4.403 7.855 1.00 43.12 C ATOM 1378 NE ARG A 90 8.679 5.307 8.219 1.00 45.21 N ATOM 1379 CZ ARG A 90 9.601 5.076 9.133 1.00 32.20 C ATOM 1380 NH1 ARG A 90 9.591 3.997 9.851 1.00 34.12 N ATOM 1381 NH2 ARG A 90 10.519 5.957 9.344 1.00 75.21 N ATOM 0 H ARG A 90 4.879 8.298 5.718 1.00 13.21 H new ATOM 0 HA ARG A 90 6.614 5.923 5.783 1.00 12.11 H new ATOM 0 HB2 ARG A 90 6.697 7.041 8.093 1.00 43.41 H new ATOM 0 HB3 ARG A 90 4.977 6.729 8.215 1.00 43.41 H new ATOM 0 HG2 ARG A 90 6.174 4.981 9.407 1.00 71.10 H new ATOM 0 HG3 ARG A 90 5.410 4.273 7.998 1.00 71.10 H new ATOM 0 HD2 ARG A 90 7.730 3.423 8.303 1.00 43.12 H new ATOM 0 HD3 ARG A 90 7.550 4.261 6.774 1.00 43.12 H new ATOM 0 HE ARG A 90 8.740 6.192 7.715 1.00 45.21 H new ATOM 0 HH11 ARG A 90 8.857 3.301 9.716 1.00 34.12 H new ATOM 0 HH12 ARG A 90 10.317 3.844 10.551 1.00 34.12 H new ATOM 0 HH21 ARG A 90 10.528 6.824 8.806 1.00 75.21 H new ATOM 0 HH22 ARG A 90 11.236 5.787 10.049 1.00 75.21 H new ATOM 1395 N ALA A 91 4.438 4.516 5.484 1.00 75.02 N ATOM 1396 CA ALA A 91 3.237 3.792 5.001 1.00 75.23 C ATOM 1397 C ALA A 91 3.345 2.280 5.278 1.00 35.41 C ATOM 1398 O ALA A 91 4.443 1.752 5.356 1.00 4.11 O ATOM 1399 CB ALA A 91 3.023 4.061 3.499 1.00 25.32 C ATOM 0 H ALA A 91 5.252 3.917 5.621 1.00 75.02 H new ATOM 0 HA ALA A 91 2.372 4.164 5.549 1.00 75.23 H new ATOM 0 HB1 ALA A 91 2.139 3.524 3.156 1.00 25.32 H new ATOM 0 HB2 ALA A 91 2.885 5.130 3.337 1.00 25.32 H new ATOM 0 HB3 ALA A 91 3.894 3.719 2.940 1.00 25.32 H new ATOM 1405 N VAL A 92 2.196 1.603 5.464 1.00 51.42 N ATOM 1406 CA VAL A 92 2.154 0.146 5.752 1.00 30.12 C ATOM 1407 C VAL A 92 0.998 -0.592 5.003 1.00 44.31 C ATOM 1408 O VAL A 92 -0.053 -0.018 4.716 1.00 10.52 O ATOM 1409 CB VAL A 92 2.076 -0.095 7.306 1.00 14.32 C ATOM 1410 CG1 VAL A 92 0.791 0.498 7.933 1.00 72.34 C ATOM 1411 CG2 VAL A 92 2.234 -1.584 7.657 1.00 5.53 C ATOM 0 H VAL A 92 1.276 2.040 5.421 1.00 51.42 H new ATOM 0 HA VAL A 92 3.079 -0.286 5.370 1.00 30.12 H new ATOM 0 HB VAL A 92 2.917 0.441 7.745 1.00 14.32 H new ATOM 0 HG11 VAL A 92 0.787 0.304 9.006 1.00 72.34 H new ATOM 0 HG12 VAL A 92 0.764 1.574 7.758 1.00 72.34 H new ATOM 0 HG13 VAL A 92 -0.084 0.034 7.477 1.00 72.34 H new ATOM 0 HG21 VAL A 92 2.175 -1.711 8.738 1.00 5.53 H new ATOM 0 HG22 VAL A 92 1.439 -2.157 7.180 1.00 5.53 H new ATOM 0 HG23 VAL A 92 3.201 -1.941 7.302 1.00 5.53 H new ATOM 1421 N LEU A 93 1.238 -1.885 4.710 1.00 24.11 N ATOM 1422 CA LEU A 93 0.311 -2.794 4.010 1.00 52.40 C ATOM 1423 C LEU A 93 0.016 -3.994 4.965 1.00 1.42 C ATOM 1424 O LEU A 93 0.894 -4.828 5.187 1.00 12.05 O ATOM 1425 CB LEU A 93 1.021 -3.293 2.697 1.00 74.03 C ATOM 1426 CG LEU A 93 0.148 -3.689 1.453 1.00 64.43 C ATOM 1427 CD1 LEU A 93 -1.151 -4.411 1.837 1.00 62.52 C ATOM 1428 CD2 LEU A 93 -0.106 -2.479 0.536 1.00 32.11 C ATOM 0 H LEU A 93 2.114 -2.341 4.964 1.00 24.11 H new ATOM 0 HA LEU A 93 -0.625 -2.301 3.745 1.00 52.40 H new ATOM 0 HB2 LEU A 93 1.708 -2.509 2.378 1.00 74.03 H new ATOM 0 HB3 LEU A 93 1.626 -4.160 2.961 1.00 74.03 H new ATOM 0 HG LEU A 93 0.729 -4.414 0.883 1.00 64.43 H new ATOM 0 HD11 LEU A 93 -1.710 -4.658 0.935 1.00 62.52 H new ATOM 0 HD12 LEU A 93 -0.912 -5.326 2.378 1.00 62.52 H new ATOM 0 HD13 LEU A 93 -1.754 -3.762 2.471 1.00 62.52 H new ATOM 0 HD21 LEU A 93 -0.713 -2.788 -0.315 1.00 32.11 H new ATOM 0 HD22 LEU A 93 -0.631 -1.704 1.094 1.00 32.11 H new ATOM 0 HD23 LEU A 93 0.846 -2.087 0.179 1.00 32.11 H new ATOM 1440 N GLU A 94 -1.204 -4.077 5.526 1.00 43.13 N ATOM 1441 CA GLU A 94 -1.571 -5.129 6.518 1.00 42.32 C ATOM 1442 C GLU A 94 -2.851 -5.885 6.093 1.00 72.21 C ATOM 1443 O GLU A 94 -3.930 -5.302 6.034 1.00 54.43 O ATOM 1444 CB GLU A 94 -1.766 -4.497 7.930 1.00 60.23 C ATOM 1445 CG GLU A 94 -0.489 -3.881 8.536 1.00 13.33 C ATOM 1446 CD GLU A 94 -0.709 -3.254 9.923 1.00 2.23 C ATOM 1447 OE1 GLU A 94 -1.192 -2.098 9.992 1.00 11.32 O ATOM 1448 OE2 GLU A 94 -0.409 -3.912 10.949 1.00 15.31 O ATOM 0 H GLU A 94 -1.963 -3.429 5.314 1.00 43.13 H new ATOM 0 HA GLU A 94 -0.753 -5.848 6.558 1.00 42.32 H new ATOM 0 HB2 GLU A 94 -2.532 -3.724 7.866 1.00 60.23 H new ATOM 0 HB3 GLU A 94 -2.142 -5.263 8.608 1.00 60.23 H new ATOM 0 HG2 GLU A 94 0.276 -4.653 8.612 1.00 13.33 H new ATOM 0 HG3 GLU A 94 -0.106 -3.118 7.858 1.00 13.33 H new ATOM 1455 N VAL A 95 -2.723 -7.193 5.802 1.00 75.51 N ATOM 1456 CA VAL A 95 -3.868 -8.040 5.398 1.00 55.43 C ATOM 1457 C VAL A 95 -4.448 -8.791 6.635 1.00 25.31 C ATOM 1458 O VAL A 95 -3.717 -9.464 7.368 1.00 74.30 O ATOM 1459 CB VAL A 95 -3.457 -9.057 4.268 1.00 61.02 C ATOM 1460 CG1 VAL A 95 -4.690 -9.839 3.743 1.00 23.22 C ATOM 1461 CG2 VAL A 95 -2.718 -8.333 3.109 1.00 65.20 C ATOM 0 H VAL A 95 -1.834 -7.691 5.839 1.00 75.51 H new ATOM 0 HA VAL A 95 -4.643 -7.391 4.990 1.00 55.43 H new ATOM 0 HB VAL A 95 -2.767 -9.780 4.704 1.00 61.02 H new ATOM 0 HG11 VAL A 95 -4.376 -10.533 2.964 1.00 23.22 H new ATOM 0 HG12 VAL A 95 -5.144 -10.395 4.563 1.00 23.22 H new ATOM 0 HG13 VAL A 95 -5.417 -9.139 3.333 1.00 23.22 H new ATOM 0 HG21 VAL A 95 -2.445 -9.058 2.342 1.00 65.20 H new ATOM 0 HG22 VAL A 95 -3.373 -7.576 2.677 1.00 65.20 H new ATOM 0 HG23 VAL A 95 -1.817 -7.856 3.494 1.00 65.20 H new ATOM 1471 N VAL A 96 -5.765 -8.654 6.858 1.00 41.33 N ATOM 1472 CA VAL A 96 -6.471 -9.171 8.058 1.00 14.22 C ATOM 1473 C VAL A 96 -7.466 -10.310 7.665 1.00 4.33 C ATOM 1474 O VAL A 96 -8.407 -10.063 6.909 1.00 13.32 O ATOM 1475 CB VAL A 96 -7.248 -7.996 8.774 1.00 41.53 C ATOM 1476 CG1 VAL A 96 -7.989 -8.480 10.046 1.00 51.31 C ATOM 1477 CG2 VAL A 96 -6.291 -6.816 9.101 1.00 60.35 C ATOM 0 H VAL A 96 -6.385 -8.175 6.205 1.00 41.33 H new ATOM 0 HA VAL A 96 -5.731 -9.582 8.745 1.00 14.22 H new ATOM 0 HB VAL A 96 -8.006 -7.639 8.077 1.00 41.53 H new ATOM 0 HG11 VAL A 96 -8.509 -7.640 10.506 1.00 51.31 H new ATOM 0 HG12 VAL A 96 -8.711 -9.250 9.775 1.00 51.31 H new ATOM 0 HG13 VAL A 96 -7.268 -8.891 10.753 1.00 51.31 H new ATOM 0 HG21 VAL A 96 -6.850 -6.020 9.593 1.00 60.35 H new ATOM 0 HG22 VAL A 96 -5.497 -7.164 9.762 1.00 60.35 H new ATOM 0 HG23 VAL A 96 -5.854 -6.435 8.178 1.00 60.35 H new ATOM 1487 N PRO A 97 -7.277 -11.576 8.172 1.00 72.52 N ATOM 1488 CA PRO A 97 -8.125 -12.738 7.781 1.00 3.12 C ATOM 1489 C PRO A 97 -9.523 -12.788 8.490 1.00 73.54 C ATOM 1490 O PRO A 97 -9.624 -13.061 9.694 1.00 12.43 O ATOM 1491 CB PRO A 97 -7.234 -13.940 8.174 1.00 73.34 C ATOM 1492 CG PRO A 97 -6.450 -13.461 9.363 1.00 75.54 C ATOM 1493 CD PRO A 97 -6.226 -11.973 9.149 1.00 13.10 C ATOM 0 HA PRO A 97 -8.401 -12.706 6.727 1.00 3.12 H new ATOM 0 HB2 PRO A 97 -7.836 -14.814 8.422 1.00 73.34 H new ATOM 0 HB3 PRO A 97 -6.575 -14.229 7.355 1.00 73.34 H new ATOM 0 HG2 PRO A 97 -6.996 -13.644 10.289 1.00 75.54 H new ATOM 0 HG3 PRO A 97 -5.501 -13.990 9.443 1.00 75.54 H new ATOM 0 HD2 PRO A 97 -6.322 -11.419 10.083 1.00 13.10 H new ATOM 0 HD3 PRO A 97 -5.227 -11.773 8.761 1.00 13.10 H new ATOM 1501 N ARG A 98 -10.596 -12.505 7.716 1.00 43.32 N ATOM 1502 CA ARG A 98 -12.014 -12.601 8.188 1.00 1.00 C ATOM 1503 C ARG A 98 -12.538 -14.059 8.141 1.00 44.53 C ATOM 1504 O ARG A 98 -13.327 -14.478 8.998 1.00 15.22 O ATOM 1505 CB ARG A 98 -12.945 -11.686 7.319 1.00 22.34 C ATOM 1506 CG ARG A 98 -13.051 -10.209 7.769 1.00 71.41 C ATOM 1507 CD ARG A 98 -11.705 -9.463 7.810 1.00 14.42 C ATOM 1508 NE ARG A 98 -11.894 -8.020 8.061 1.00 61.14 N ATOM 1509 CZ ARG A 98 -11.697 -7.395 9.196 1.00 41.22 C ATOM 1510 NH1 ARG A 98 -11.337 -8.031 10.264 1.00 20.34 N ATOM 1511 NH2 ARG A 98 -11.870 -6.120 9.257 1.00 64.24 N ATOM 0 H ARG A 98 -10.513 -12.203 6.745 1.00 43.32 H new ATOM 0 HA ARG A 98 -12.031 -12.263 9.224 1.00 1.00 H new ATOM 0 HB2 ARG A 98 -12.585 -11.707 6.290 1.00 22.34 H new ATOM 0 HB3 ARG A 98 -13.946 -12.118 7.316 1.00 22.34 H new ATOM 0 HG2 ARG A 98 -13.725 -9.683 7.093 1.00 71.41 H new ATOM 0 HG3 ARG A 98 -13.503 -10.175 8.760 1.00 71.41 H new ATOM 0 HD2 ARG A 98 -11.075 -9.890 8.590 1.00 14.42 H new ATOM 0 HD3 ARG A 98 -11.181 -9.603 6.865 1.00 14.42 H new ATOM 0 HE ARG A 98 -12.209 -7.454 7.273 1.00 61.14 H new ATOM 0 HH11 ARG A 98 -11.200 -9.041 10.234 1.00 20.34 H new ATOM 0 HH12 ARG A 98 -11.190 -7.522 11.136 1.00 20.34 H new ATOM 0 HH21 ARG A 98 -12.158 -5.604 8.426 1.00 64.24 H new ATOM 0 HH22 ARG A 98 -11.719 -5.626 10.137 1.00 64.24 H new ATOM 1525 N ASP A 99 -12.079 -14.809 7.133 1.00 52.34 N ATOM 1526 CA ASP A 99 -12.620 -16.138 6.768 1.00 53.51 C ATOM 1527 C ASP A 99 -11.549 -16.953 5.999 1.00 25.21 C ATOM 1528 O ASP A 99 -10.595 -16.386 5.473 1.00 74.52 O ATOM 1529 CB ASP A 99 -13.909 -15.935 5.916 1.00 63.32 C ATOM 1530 CG ASP A 99 -14.506 -17.230 5.349 1.00 22.23 C ATOM 1531 OD1 ASP A 99 -15.082 -18.023 6.118 1.00 10.11 O ATOM 1532 OD2 ASP A 99 -14.372 -17.473 4.128 1.00 61.11 O ATOM 0 H ASP A 99 -11.309 -14.512 6.534 1.00 52.34 H new ATOM 0 HA ASP A 99 -12.878 -16.703 7.664 1.00 53.51 H new ATOM 0 HB2 ASP A 99 -14.662 -15.441 6.531 1.00 63.32 H new ATOM 0 HB3 ASP A 99 -13.681 -15.262 5.089 1.00 63.32 H new ATOM 1537 N ASP A 100 -11.757 -18.278 5.909 1.00 42.44 N ATOM 1538 CA ASP A 100 -10.834 -19.233 5.239 1.00 51.11 C ATOM 1539 C ASP A 100 -10.599 -18.903 3.732 1.00 51.14 C ATOM 1540 O ASP A 100 -9.583 -19.303 3.158 1.00 13.42 O ATOM 1541 CB ASP A 100 -11.400 -20.667 5.384 1.00 72.13 C ATOM 1542 CG ASP A 100 -11.766 -21.010 6.843 1.00 72.33 C ATOM 1543 OD1 ASP A 100 -12.918 -20.736 7.249 1.00 65.23 O ATOM 1544 OD2 ASP A 100 -10.905 -21.535 7.588 1.00 13.11 O ATOM 0 H ASP A 100 -12.582 -18.730 6.303 1.00 42.44 H new ATOM 0 HA ASP A 100 -9.864 -19.149 5.729 1.00 51.11 H new ATOM 0 HB2 ASP A 100 -12.285 -20.771 4.756 1.00 72.13 H new ATOM 0 HB3 ASP A 100 -10.664 -21.384 5.019 1.00 72.13 H new ATOM 1549 N ARG A 101 -11.550 -18.179 3.112 1.00 24.03 N ATOM 1550 CA ARG A 101 -11.488 -17.793 1.680 1.00 22.42 C ATOM 1551 C ARG A 101 -11.708 -16.262 1.503 1.00 11.13 C ATOM 1552 O ARG A 101 -11.797 -15.776 0.378 1.00 42.24 O ATOM 1553 CB ARG A 101 -12.563 -18.615 0.877 1.00 63.52 C ATOM 1554 CG ARG A 101 -12.091 -19.209 -0.479 1.00 4.10 C ATOM 1555 CD ARG A 101 -11.709 -18.166 -1.551 1.00 11.41 C ATOM 1556 NE ARG A 101 -11.263 -18.803 -2.805 1.00 52.53 N ATOM 1557 CZ ARG A 101 -10.355 -18.324 -3.633 1.00 1.32 C ATOM 1558 NH1 ARG A 101 -9.844 -17.146 -3.471 1.00 11.25 N ATOM 1559 NH2 ARG A 101 -9.992 -19.027 -4.649 1.00 24.44 N ATOM 0 H ARG A 101 -12.387 -17.842 3.587 1.00 24.03 H new ATOM 0 HA ARG A 101 -10.496 -18.023 1.290 1.00 22.42 H new ATOM 0 HB2 ARG A 101 -12.912 -19.433 1.508 1.00 63.52 H new ATOM 0 HB3 ARG A 101 -13.420 -17.969 0.689 1.00 63.52 H new ATOM 0 HG2 ARG A 101 -11.230 -19.852 -0.297 1.00 4.10 H new ATOM 0 HG3 ARG A 101 -12.884 -19.843 -0.876 1.00 4.10 H new ATOM 0 HD2 ARG A 101 -12.566 -17.524 -1.755 1.00 11.41 H new ATOM 0 HD3 ARG A 101 -10.915 -17.525 -1.167 1.00 11.41 H new ATOM 0 HE ARG A 101 -11.695 -19.693 -3.054 1.00 52.53 H new ATOM 0 HH11 ARG A 101 -10.142 -16.564 -2.688 1.00 11.25 H new ATOM 0 HH12 ARG A 101 -9.143 -16.800 -4.126 1.00 11.25 H new ATOM 0 HH21 ARG A 101 -10.406 -19.946 -4.808 1.00 24.44 H new ATOM 0 HH22 ARG A 101 -9.291 -18.665 -5.295 1.00 24.44 H new ATOM 1573 N HIS A 102 -11.810 -15.497 2.609 1.00 21.15 N ATOM 1574 CA HIS A 102 -12.110 -14.038 2.555 1.00 74.15 C ATOM 1575 C HIS A 102 -11.239 -13.259 3.572 1.00 24.11 C ATOM 1576 O HIS A 102 -11.171 -13.619 4.742 1.00 4.43 O ATOM 1577 CB HIS A 102 -13.627 -13.774 2.801 1.00 5.10 C ATOM 1578 CG HIS A 102 -14.542 -14.490 1.829 1.00 72.43 C ATOM 1579 ND1 HIS A 102 -15.293 -15.586 2.172 1.00 73.20 N ATOM 1580 CD2 HIS A 102 -14.785 -14.286 0.513 1.00 64.04 C ATOM 1581 CE1 HIS A 102 -15.941 -16.030 1.122 1.00 23.42 C ATOM 1582 NE2 HIS A 102 -15.659 -15.260 0.098 1.00 62.22 N ATOM 0 H HIS A 102 -11.690 -15.859 3.555 1.00 21.15 H new ATOM 0 HA HIS A 102 -11.864 -13.678 1.556 1.00 74.15 H new ATOM 0 HB2 HIS A 102 -13.879 -14.082 3.816 1.00 5.10 H new ATOM 0 HB3 HIS A 102 -13.814 -12.702 2.738 1.00 5.10 H new ATOM 0 HD1 HIS A 102 -15.340 -15.995 3.105 1.00 73.20 H new ATOM 0 HD2 HIS A 102 -14.367 -13.500 -0.099 1.00 64.04 H new ATOM 0 HE1 HIS A 102 -16.598 -16.887 1.103 1.00 23.42 H new ATOM 1591 N CYS A 103 -10.588 -12.181 3.112 1.00 2.15 N ATOM 1592 CA CYS A 103 -9.683 -11.347 3.946 1.00 10.34 C ATOM 1593 C CYS A 103 -9.945 -9.848 3.683 1.00 3.55 C ATOM 1594 O CYS A 103 -10.810 -9.497 2.875 1.00 65.04 O ATOM 1595 CB CYS A 103 -8.204 -11.683 3.647 1.00 23.04 C ATOM 1596 SG CYS A 103 -7.625 -11.091 2.044 1.00 54.04 S ATOM 0 H CYS A 103 -10.668 -11.854 2.149 1.00 2.15 H new ATOM 0 HA CYS A 103 -9.885 -11.565 4.995 1.00 10.34 H new ATOM 0 HB2 CYS A 103 -7.579 -11.252 4.429 1.00 23.04 H new ATOM 0 HB3 CYS A 103 -8.071 -12.764 3.693 1.00 23.04 H new ATOM 0 HG CYS A 103 -7.889 -11.979 1.132 1.00 54.04 H new ATOM 1602 N THR A 104 -9.215 -8.969 4.387 1.00 61.34 N ATOM 1603 CA THR A 104 -9.339 -7.503 4.225 1.00 72.10 C ATOM 1604 C THR A 104 -7.957 -6.831 4.125 1.00 2.25 C ATOM 1605 O THR A 104 -7.172 -6.884 5.064 1.00 24.20 O ATOM 1606 CB THR A 104 -10.175 -6.869 5.388 1.00 71.02 C ATOM 1607 OG1 THR A 104 -11.519 -7.380 5.331 1.00 73.35 O ATOM 1608 CG2 THR A 104 -10.222 -5.327 5.340 1.00 1.33 C ATOM 0 H THR A 104 -8.524 -9.248 5.083 1.00 61.34 H new ATOM 0 HA THR A 104 -9.871 -7.326 3.290 1.00 72.10 H new ATOM 0 HB THR A 104 -9.681 -7.143 6.320 1.00 71.02 H new ATOM 0 HG1 THR A 104 -12.132 -6.661 5.071 1.00 73.35 H new ATOM 0 HG21 THR A 104 -10.817 -4.955 6.174 1.00 1.33 H new ATOM 0 HG22 THR A 104 -9.209 -4.930 5.411 1.00 1.33 H new ATOM 0 HG23 THR A 104 -10.673 -5.006 4.401 1.00 1.33 H new ATOM 1616 N VAL A 105 -7.676 -6.178 2.982 1.00 74.44 N ATOM 1617 CA VAL A 105 -6.394 -5.481 2.754 1.00 32.23 C ATOM 1618 C VAL A 105 -6.484 -4.034 3.287 1.00 50.13 C ATOM 1619 O VAL A 105 -7.213 -3.201 2.740 1.00 32.34 O ATOM 1620 CB VAL A 105 -6.004 -5.472 1.232 1.00 73.30 C ATOM 1621 CG1 VAL A 105 -4.624 -4.807 0.994 1.00 42.21 C ATOM 1622 CG2 VAL A 105 -6.022 -6.900 0.658 1.00 40.40 C ATOM 0 H VAL A 105 -8.324 -6.118 2.196 1.00 74.44 H new ATOM 0 HA VAL A 105 -5.616 -6.021 3.293 1.00 32.23 H new ATOM 0 HB VAL A 105 -6.750 -4.875 0.708 1.00 73.30 H new ATOM 0 HG11 VAL A 105 -4.392 -4.821 -0.071 1.00 42.21 H new ATOM 0 HG12 VAL A 105 -4.652 -3.776 1.346 1.00 42.21 H new ATOM 0 HG13 VAL A 105 -3.857 -5.356 1.540 1.00 42.21 H new ATOM 0 HG21 VAL A 105 -5.749 -6.872 -0.397 1.00 40.40 H new ATOM 0 HG22 VAL A 105 -5.308 -7.519 1.201 1.00 40.40 H new ATOM 0 HG23 VAL A 105 -7.022 -7.322 0.763 1.00 40.40 H new ATOM 1632 N VAL A 106 -5.743 -3.763 4.372 1.00 63.52 N ATOM 1633 CA VAL A 106 -5.710 -2.447 5.041 1.00 31.02 C ATOM 1634 C VAL A 106 -4.436 -1.679 4.615 1.00 44.43 C ATOM 1635 O VAL A 106 -3.323 -2.075 4.967 1.00 32.34 O ATOM 1636 CB VAL A 106 -5.744 -2.609 6.610 1.00 21.25 C ATOM 1637 CG1 VAL A 106 -5.817 -1.236 7.335 1.00 23.21 C ATOM 1638 CG2 VAL A 106 -6.905 -3.536 7.042 1.00 42.44 C ATOM 0 H VAL A 106 -5.142 -4.457 4.817 1.00 63.52 H new ATOM 0 HA VAL A 106 -6.593 -1.883 4.740 1.00 31.02 H new ATOM 0 HB VAL A 106 -4.806 -3.077 6.911 1.00 21.25 H new ATOM 0 HG11 VAL A 106 -5.839 -1.395 8.413 1.00 23.21 H new ATOM 0 HG12 VAL A 106 -4.943 -0.639 7.073 1.00 23.21 H new ATOM 0 HG13 VAL A 106 -6.721 -0.710 7.028 1.00 23.21 H new ATOM 0 HG21 VAL A 106 -6.909 -3.633 8.128 1.00 42.44 H new ATOM 0 HG22 VAL A 106 -7.853 -3.110 6.713 1.00 42.44 H new ATOM 0 HG23 VAL A 106 -6.773 -4.519 6.590 1.00 42.44 H new ATOM 1648 N TRP A 107 -4.600 -0.584 3.852 1.00 1.32 N ATOM 1649 CA TRP A 107 -3.465 0.223 3.348 1.00 63.35 C ATOM 1650 C TRP A 107 -3.452 1.611 4.045 1.00 42.03 C ATOM 1651 O TRP A 107 -4.440 2.348 4.008 1.00 72.34 O ATOM 1652 CB TRP A 107 -3.564 0.355 1.803 1.00 35.33 C ATOM 1653 CG TRP A 107 -2.266 0.699 1.098 1.00 64.32 C ATOM 1654 CD1 TRP A 107 -1.032 0.940 1.654 1.00 22.53 C ATOM 1655 CD2 TRP A 107 -2.089 0.821 -0.314 1.00 64.53 C ATOM 1656 NE1 TRP A 107 -0.116 1.198 0.671 1.00 62.11 N ATOM 1657 CE2 TRP A 107 -0.736 1.133 -0.543 1.00 31.54 C ATOM 1658 CE3 TRP A 107 -2.945 0.690 -1.408 1.00 45.43 C ATOM 1659 CZ2 TRP A 107 -0.223 1.326 -1.819 1.00 74.34 C ATOM 1660 CZ3 TRP A 107 -2.438 0.884 -2.672 1.00 54.22 C ATOM 1661 CH2 TRP A 107 -1.084 1.195 -2.871 1.00 25.33 C ATOM 0 H TRP A 107 -5.514 -0.232 3.567 1.00 1.32 H new ATOM 0 HA TRP A 107 -2.524 -0.274 3.583 1.00 63.35 H new ATOM 0 HB2 TRP A 107 -3.941 -0.584 1.398 1.00 35.33 H new ATOM 0 HB3 TRP A 107 -4.301 1.122 1.567 1.00 35.33 H new ATOM 0 HD1 TRP A 107 -0.817 0.927 2.712 1.00 22.53 H new ATOM 0 HE1 TRP A 107 0.871 1.406 0.821 1.00 62.11 H new ATOM 0 HE3 TRP A 107 -3.986 0.441 -1.265 1.00 45.43 H new ATOM 0 HZ2 TRP A 107 0.818 1.570 -1.974 1.00 74.34 H new ATOM 0 HZ3 TRP A 107 -3.093 0.795 -3.526 1.00 54.22 H new ATOM 0 HH2 TRP A 107 -0.715 1.334 -3.877 1.00 25.33 H new ATOM 1672 N THR A 108 -2.315 1.952 4.668 1.00 21.04 N ATOM 1673 CA THR A 108 -2.165 3.133 5.560 1.00 63.54 C ATOM 1674 C THR A 108 -0.953 4.002 5.127 1.00 23.02 C ATOM 1675 O THR A 108 0.031 3.462 4.629 1.00 43.42 O ATOM 1676 CB THR A 108 -1.983 2.631 7.041 1.00 70.21 C ATOM 1677 OG1 THR A 108 -3.152 1.901 7.459 1.00 42.11 O ATOM 1678 CG2 THR A 108 -1.696 3.757 8.057 1.00 24.41 C ATOM 0 H THR A 108 -1.455 1.413 4.571 1.00 21.04 H new ATOM 0 HA THR A 108 -3.058 3.754 5.490 1.00 63.54 H new ATOM 0 HB THR A 108 -1.103 1.988 7.032 1.00 70.21 H new ATOM 0 HG1 THR A 108 -3.031 1.590 8.381 1.00 42.11 H new ATOM 0 HG21 THR A 108 -1.584 3.328 9.053 1.00 24.41 H new ATOM 0 HG22 THR A 108 -0.777 4.273 7.778 1.00 24.41 H new ATOM 0 HG23 THR A 108 -2.524 4.466 8.058 1.00 24.41 H new ATOM 1686 N ALA A 109 -1.042 5.344 5.294 1.00 73.43 N ATOM 1687 CA ALA A 109 0.077 6.283 5.008 1.00 1.14 C ATOM 1688 C ALA A 109 0.084 7.486 5.983 1.00 45.24 C ATOM 1689 O ALA A 109 -0.800 8.339 5.935 1.00 73.31 O ATOM 1690 CB ALA A 109 0.004 6.780 3.554 1.00 21.11 C ATOM 0 H ALA A 109 -1.887 5.807 5.629 1.00 73.43 H new ATOM 0 HA ALA A 109 1.007 5.734 5.152 1.00 1.14 H new ATOM 0 HB1 ALA A 109 0.829 7.466 3.362 1.00 21.11 H new ATOM 0 HB2 ALA A 109 0.073 5.930 2.875 1.00 21.11 H new ATOM 0 HB3 ALA A 109 -0.942 7.297 3.393 1.00 21.11 H new ATOM 1696 N MET A 110 1.127 7.565 6.824 1.00 55.32 N ATOM 1697 CA MET A 110 1.318 8.639 7.829 1.00 52.51 C ATOM 1698 C MET A 110 2.602 9.442 7.504 1.00 45.13 C ATOM 1699 O MET A 110 3.687 8.873 7.391 1.00 44.14 O ATOM 1700 CB MET A 110 1.365 8.058 9.278 1.00 53.12 C ATOM 1701 CG MET A 110 2.208 6.784 9.459 1.00 75.20 C ATOM 1702 SD MET A 110 1.497 5.354 8.604 1.00 63.10 S ATOM 1703 CE MET A 110 2.568 4.022 9.134 1.00 55.41 C ATOM 0 H MET A 110 1.878 6.875 6.830 1.00 55.32 H new ATOM 0 HA MET A 110 0.464 9.315 7.782 1.00 52.51 H new ATOM 0 HB2 MET A 110 1.754 8.827 9.945 1.00 53.12 H new ATOM 0 HB3 MET A 110 0.345 7.845 9.598 1.00 53.12 H new ATOM 0 HG2 MET A 110 3.216 6.963 9.084 1.00 75.20 H new ATOM 0 HG3 MET A 110 2.298 6.560 10.522 1.00 75.20 H new ATOM 0 HE1 MET A 110 2.677 3.299 8.326 1.00 55.41 H new ATOM 0 HE2 MET A 110 3.547 4.424 9.395 1.00 55.41 H new ATOM 0 HE3 MET A 110 2.134 3.530 10.005 1.00 55.41 H new ATOM 1713 N PHE A 111 2.473 10.771 7.381 1.00 22.21 N ATOM 1714 CA PHE A 111 3.557 11.648 6.865 1.00 23.10 C ATOM 1715 C PHE A 111 3.554 13.045 7.527 1.00 22.11 C ATOM 1716 O PHE A 111 2.500 13.579 7.866 1.00 34.11 O ATOM 1717 CB PHE A 111 3.475 11.748 5.303 1.00 4.03 C ATOM 1718 CG PHE A 111 2.062 11.867 4.713 1.00 32.34 C ATOM 1719 CD1 PHE A 111 1.306 13.027 4.866 1.00 64.55 C ATOM 1720 CD2 PHE A 111 1.499 10.813 3.985 1.00 41.41 C ATOM 1721 CE1 PHE A 111 0.041 13.132 4.322 1.00 71.21 C ATOM 1722 CE2 PHE A 111 0.235 10.919 3.441 1.00 62.21 C ATOM 1723 CZ PHE A 111 -0.492 12.081 3.606 1.00 30.33 C ATOM 0 H PHE A 111 1.623 11.275 7.632 1.00 22.21 H new ATOM 0 HA PHE A 111 4.509 11.189 7.134 1.00 23.10 H new ATOM 0 HB2 PHE A 111 4.056 12.613 4.982 1.00 4.03 H new ATOM 0 HB3 PHE A 111 3.953 10.867 4.876 1.00 4.03 H new ATOM 0 HD1 PHE A 111 1.716 13.859 5.420 1.00 64.55 H new ATOM 0 HD2 PHE A 111 2.062 9.902 3.847 1.00 41.41 H new ATOM 0 HE1 PHE A 111 -0.531 14.038 4.457 1.00 71.21 H new ATOM 0 HE2 PHE A 111 -0.185 10.093 2.886 1.00 62.21 H new ATOM 0 HZ PHE A 111 -1.478 12.167 3.174 1.00 30.33 H new ATOM 1733 N ASP A 112 4.762 13.626 7.702 1.00 23.14 N ATOM 1734 CA ASP A 112 4.931 14.980 8.262 1.00 72.14 C ATOM 1735 C ASP A 112 4.589 16.033 7.185 1.00 3.43 C ATOM 1736 O ASP A 112 5.445 16.453 6.398 1.00 64.53 O ATOM 1737 CB ASP A 112 6.371 15.166 8.821 1.00 4.34 C ATOM 1738 CG ASP A 112 6.585 16.523 9.514 1.00 34.21 C ATOM 1739 OD1 ASP A 112 5.954 16.769 10.567 1.00 21.20 O ATOM 1740 OD2 ASP A 112 7.365 17.358 9.009 1.00 64.05 O ATOM 0 H ASP A 112 5.641 13.170 7.459 1.00 23.14 H new ATOM 0 HA ASP A 112 4.245 15.116 9.098 1.00 72.14 H new ATOM 0 HB2 ASP A 112 6.584 14.366 9.530 1.00 4.34 H new ATOM 0 HB3 ASP A 112 7.086 15.066 8.004 1.00 4.34 H new ATOM 1745 N CYS A 113 3.296 16.356 7.105 1.00 73.03 N ATOM 1746 CA CYS A 113 2.752 17.335 6.137 1.00 31.44 C ATOM 1747 C CYS A 113 2.105 18.547 6.847 1.00 42.11 C ATOM 1748 O CYS A 113 1.814 18.500 8.048 1.00 1.40 O ATOM 1749 CB CYS A 113 1.723 16.623 5.241 1.00 5.24 C ATOM 1750 SG CYS A 113 1.010 17.650 3.941 1.00 43.01 S ATOM 0 H CYS A 113 2.585 15.947 7.711 1.00 73.03 H new ATOM 0 HA CYS A 113 3.572 17.723 5.532 1.00 31.44 H new ATOM 0 HB2 CYS A 113 2.201 15.758 4.780 1.00 5.24 H new ATOM 0 HB3 CYS A 113 0.916 16.245 5.869 1.00 5.24 H new ATOM 0 HG CYS A 113 1.881 17.813 2.990 1.00 43.01 H new ATOM 1756 N SER A 114 1.881 19.631 6.082 1.00 62.02 N ATOM 1757 CA SER A 114 1.253 20.880 6.590 1.00 24.02 C ATOM 1758 C SER A 114 -0.305 20.770 6.572 1.00 3.42 C ATOM 1759 O SER A 114 -0.843 20.028 5.749 1.00 65.03 O ATOM 1760 CB SER A 114 1.737 22.072 5.734 1.00 53.21 C ATOM 1761 OG SER A 114 1.409 21.904 4.367 1.00 52.20 O ATOM 0 H SER A 114 2.128 19.673 5.093 1.00 62.02 H new ATOM 0 HA SER A 114 1.552 21.038 7.626 1.00 24.02 H new ATOM 0 HB2 SER A 114 1.287 22.993 6.105 1.00 53.21 H new ATOM 0 HB3 SER A 114 2.817 22.180 5.838 1.00 53.21 H new ATOM 0 HG SER A 114 1.863 22.591 3.835 1.00 52.20 H new ATOM 1767 N PRO A 115 -1.049 21.508 7.483 1.00 12.55 N ATOM 1768 CA PRO A 115 -2.532 21.335 7.696 1.00 13.41 C ATOM 1769 C PRO A 115 -3.398 21.285 6.400 1.00 62.02 C ATOM 1770 O PRO A 115 -4.041 20.262 6.114 1.00 54.52 O ATOM 1771 CB PRO A 115 -2.904 22.565 8.567 1.00 72.15 C ATOM 1772 CG PRO A 115 -1.659 22.857 9.340 1.00 43.33 C ATOM 1773 CD PRO A 115 -0.511 22.567 8.392 1.00 54.15 C ATOM 0 HA PRO A 115 -2.740 20.367 8.151 1.00 13.41 H new ATOM 0 HB2 PRO A 115 -3.199 23.415 7.951 1.00 72.15 H new ATOM 0 HB3 PRO A 115 -3.742 22.345 9.229 1.00 72.15 H new ATOM 0 HG2 PRO A 115 -1.639 23.895 9.673 1.00 43.33 H new ATOM 0 HG3 PRO A 115 -1.597 22.234 10.232 1.00 43.33 H new ATOM 0 HD2 PRO A 115 -0.217 23.458 7.837 1.00 54.15 H new ATOM 0 HD3 PRO A 115 0.372 22.221 8.929 1.00 54.15 H new ATOM 1781 N GLU A 116 -3.388 22.390 5.623 1.00 14.31 N ATOM 1782 CA GLU A 116 -4.178 22.524 4.363 1.00 4.52 C ATOM 1783 C GLU A 116 -3.768 21.491 3.292 1.00 50.11 C ATOM 1784 O GLU A 116 -4.600 21.059 2.489 1.00 30.31 O ATOM 1785 CB GLU A 116 -4.081 23.965 3.761 1.00 14.24 C ATOM 1786 CG GLU A 116 -2.675 24.435 3.291 1.00 35.20 C ATOM 1787 CD GLU A 116 -1.703 24.709 4.453 1.00 53.41 C ATOM 1788 OE1 GLU A 116 -1.773 25.804 5.050 1.00 42.24 O ATOM 1789 OE2 GLU A 116 -0.910 23.815 4.805 1.00 11.14 O ATOM 0 H GLU A 116 -2.835 23.218 5.845 1.00 14.31 H new ATOM 0 HA GLU A 116 -5.212 22.329 4.646 1.00 4.52 H new ATOM 0 HB2 GLU A 116 -4.761 24.025 2.911 1.00 14.24 H new ATOM 0 HB3 GLU A 116 -4.443 24.671 4.509 1.00 14.24 H new ATOM 0 HG2 GLU A 116 -2.245 23.675 2.639 1.00 35.20 H new ATOM 0 HG3 GLU A 116 -2.783 25.342 2.696 1.00 35.20 H new ATOM 1796 N THR A 117 -2.485 21.106 3.283 1.00 53.02 N ATOM 1797 CA THR A 117 -1.967 20.107 2.326 1.00 60.02 C ATOM 1798 C THR A 117 -2.411 18.677 2.721 1.00 11.33 C ATOM 1799 O THR A 117 -2.705 17.864 1.857 1.00 51.13 O ATOM 1800 CB THR A 117 -0.406 20.166 2.207 1.00 24.33 C ATOM 1801 OG1 THR A 117 0.014 21.518 1.955 1.00 44.41 O ATOM 1802 CG2 THR A 117 0.123 19.259 1.075 1.00 14.04 C ATOM 0 H THR A 117 -1.782 21.469 3.927 1.00 53.02 H new ATOM 0 HA THR A 117 -2.390 20.354 1.352 1.00 60.02 H new ATOM 0 HB THR A 117 0.004 19.809 3.151 1.00 24.33 H new ATOM 0 HG1 THR A 117 0.523 21.851 2.724 1.00 44.41 H new ATOM 0 HG21 THR A 117 1.210 19.331 1.029 1.00 14.04 H new ATOM 0 HG22 THR A 117 -0.164 18.226 1.272 1.00 14.04 H new ATOM 0 HG23 THR A 117 -0.303 19.579 0.124 1.00 14.04 H new ATOM 1810 N ALA A 118 -2.510 18.407 4.037 1.00 1.02 N ATOM 1811 CA ALA A 118 -2.850 17.064 4.566 1.00 51.31 C ATOM 1812 C ALA A 118 -4.342 16.720 4.317 1.00 31.34 C ATOM 1813 O ALA A 118 -4.670 15.611 3.875 1.00 41.51 O ATOM 1814 CB ALA A 118 -2.509 16.992 6.066 1.00 63.15 C ATOM 0 H ALA A 118 -2.358 19.107 4.763 1.00 1.02 H new ATOM 0 HA ALA A 118 -2.255 16.322 4.034 1.00 51.31 H new ATOM 0 HB1 ALA A 118 -2.761 16.003 6.449 1.00 63.15 H new ATOM 0 HB2 ALA A 118 -1.444 17.175 6.206 1.00 63.15 H new ATOM 0 HB3 ALA A 118 -3.081 17.747 6.606 1.00 63.15 H new ATOM 1820 N ARG A 119 -5.241 17.696 4.598 1.00 13.22 N ATOM 1821 CA ARG A 119 -6.696 17.573 4.283 1.00 63.31 C ATOM 1822 C ARG A 119 -6.965 17.521 2.752 1.00 65.03 C ATOM 1823 O ARG A 119 -8.034 17.104 2.314 1.00 34.42 O ATOM 1824 CB ARG A 119 -7.556 18.653 5.023 1.00 64.33 C ATOM 1825 CG ARG A 119 -7.185 20.150 4.803 1.00 41.32 C ATOM 1826 CD ARG A 119 -7.600 20.727 3.428 1.00 60.42 C ATOM 1827 NE ARG A 119 -9.043 20.594 3.158 1.00 10.23 N ATOM 1828 CZ ARG A 119 -9.647 20.936 2.034 1.00 62.40 C ATOM 1829 NH1 ARG A 119 -8.996 21.469 1.048 1.00 0.33 N ATOM 1830 NH2 ARG A 119 -10.915 20.744 1.906 1.00 2.24 N ATOM 0 H ARG A 119 -4.989 18.579 5.042 1.00 13.22 H new ATOM 0 HA ARG A 119 -7.025 16.611 4.675 1.00 63.31 H new ATOM 0 HB2 ARG A 119 -8.595 18.517 4.723 1.00 64.33 H new ATOM 0 HB3 ARG A 119 -7.504 18.448 6.092 1.00 64.33 H new ATOM 0 HG2 ARG A 119 -7.654 20.745 5.587 1.00 41.32 H new ATOM 0 HG3 ARG A 119 -6.107 20.263 4.918 1.00 41.32 H new ATOM 0 HD2 ARG A 119 -7.324 21.780 3.384 1.00 60.42 H new ATOM 0 HD3 ARG A 119 -7.041 20.218 2.643 1.00 60.42 H new ATOM 0 HE ARG A 119 -9.624 20.205 3.901 1.00 10.23 H new ATOM 0 HH11 ARG A 119 -7.993 21.634 1.129 1.00 0.33 H new ATOM 0 HH12 ARG A 119 -9.487 21.724 0.191 1.00 0.33 H new ATOM 0 HH21 ARG A 119 -11.448 20.330 2.671 1.00 2.24 H new ATOM 0 HH22 ARG A 119 -11.386 21.006 1.040 1.00 2.24 H new ATOM 1844 N GLU A 120 -6.023 18.049 1.961 1.00 61.14 N ATOM 1845 CA GLU A 120 -6.021 17.891 0.489 1.00 32.44 C ATOM 1846 C GLU A 120 -5.563 16.453 0.072 1.00 5.50 C ATOM 1847 O GLU A 120 -6.159 15.830 -0.814 1.00 65.31 O ATOM 1848 CB GLU A 120 -5.097 18.975 -0.122 1.00 70.01 C ATOM 1849 CG GLU A 120 -4.977 18.962 -1.657 1.00 23.44 C ATOM 1850 CD GLU A 120 -4.090 20.107 -2.187 1.00 62.34 C ATOM 1851 OE1 GLU A 120 -2.846 19.977 -2.164 1.00 74.30 O ATOM 1852 OE2 GLU A 120 -4.631 21.148 -2.618 1.00 30.12 O ATOM 0 H GLU A 120 -5.240 18.598 2.316 1.00 61.14 H new ATOM 0 HA GLU A 120 -7.034 18.019 0.108 1.00 32.44 H new ATOM 0 HB2 GLU A 120 -5.463 19.954 0.187 1.00 70.01 H new ATOM 0 HB3 GLU A 120 -4.100 18.858 0.303 1.00 70.01 H new ATOM 0 HG2 GLU A 120 -4.563 18.006 -1.978 1.00 23.44 H new ATOM 0 HG3 GLU A 120 -5.971 19.042 -2.097 1.00 23.44 H new ATOM 1859 N LEU A 121 -4.529 15.923 0.756 1.00 72.50 N ATOM 1860 CA LEU A 121 -3.883 14.629 0.396 1.00 1.53 C ATOM 1861 C LEU A 121 -4.711 13.381 0.781 1.00 24.21 C ATOM 1862 O LEU A 121 -4.531 12.325 0.171 1.00 72.14 O ATOM 1863 CB LEU A 121 -2.463 14.529 1.022 1.00 42.14 C ATOM 1864 CG LEU A 121 -1.375 15.440 0.375 1.00 42.41 C ATOM 1865 CD1 LEU A 121 -0.023 15.309 1.107 1.00 51.34 C ATOM 1866 CD2 LEU A 121 -1.228 15.142 -1.132 1.00 61.10 C ATOM 0 H LEU A 121 -4.114 16.372 1.572 1.00 72.50 H new ATOM 0 HA LEU A 121 -3.815 14.633 -0.692 1.00 1.53 H new ATOM 0 HB2 LEU A 121 -2.534 14.775 2.081 1.00 42.14 H new ATOM 0 HB3 LEU A 121 -2.129 13.493 0.957 1.00 42.14 H new ATOM 0 HG LEU A 121 -1.703 16.474 0.480 1.00 42.41 H new ATOM 0 HD11 LEU A 121 0.713 15.957 0.631 1.00 51.34 H new ATOM 0 HD12 LEU A 121 -0.144 15.602 2.150 1.00 51.34 H new ATOM 0 HD13 LEU A 121 0.318 14.275 1.058 1.00 51.34 H new ATOM 0 HD21 LEU A 121 -0.463 15.791 -1.558 1.00 61.10 H new ATOM 0 HD22 LEU A 121 -0.938 14.100 -1.270 1.00 61.10 H new ATOM 0 HD23 LEU A 121 -2.179 15.324 -1.633 1.00 61.10 H new ATOM 1878 N GLU A 122 -5.596 13.489 1.789 1.00 63.24 N ATOM 1879 CA GLU A 122 -6.371 12.314 2.285 1.00 21.23 C ATOM 1880 C GLU A 122 -7.302 11.680 1.205 1.00 3.42 C ATOM 1881 O GLU A 122 -7.466 10.455 1.174 1.00 24.33 O ATOM 1882 CB GLU A 122 -7.114 12.638 3.632 1.00 71.34 C ATOM 1883 CG GLU A 122 -7.795 14.026 3.738 1.00 21.12 C ATOM 1884 CD GLU A 122 -9.154 14.159 3.025 1.00 14.42 C ATOM 1885 OE1 GLU A 122 -10.195 13.889 3.655 1.00 52.45 O ATOM 1886 OE2 GLU A 122 -9.190 14.558 1.845 1.00 31.21 O ATOM 0 H GLU A 122 -5.798 14.362 2.277 1.00 63.24 H new ATOM 0 HA GLU A 122 -5.642 11.535 2.507 1.00 21.23 H new ATOM 0 HB2 GLU A 122 -7.874 11.874 3.793 1.00 71.34 H new ATOM 0 HB3 GLU A 122 -6.395 12.549 4.446 1.00 71.34 H new ATOM 0 HG2 GLU A 122 -7.934 14.262 4.793 1.00 21.12 H new ATOM 0 HG3 GLU A 122 -7.117 14.775 3.330 1.00 21.12 H new ATOM 1893 N SER A 123 -7.907 12.509 0.333 1.00 33.24 N ATOM 1894 CA SER A 123 -8.659 12.020 -0.862 1.00 42.02 C ATOM 1895 C SER A 123 -7.733 11.629 -2.038 1.00 60.41 C ATOM 1896 O SER A 123 -7.954 10.605 -2.676 1.00 15.50 O ATOM 1897 CB SER A 123 -9.694 13.066 -1.329 1.00 4.54 C ATOM 1898 OG SER A 123 -10.697 13.259 -0.344 1.00 62.12 O ATOM 0 H SER A 123 -7.895 13.525 0.425 1.00 33.24 H new ATOM 0 HA SER A 123 -9.178 11.115 -0.546 1.00 42.02 H new ATOM 0 HB2 SER A 123 -9.194 14.012 -1.535 1.00 4.54 H new ATOM 0 HB3 SER A 123 -10.153 12.739 -2.262 1.00 4.54 H new ATOM 0 HG SER A 123 -10.300 13.675 0.450 1.00 62.12 H new ATOM 1904 N VAL A 124 -6.711 12.456 -2.344 1.00 4.53 N ATOM 1905 CA VAL A 124 -5.802 12.218 -3.506 1.00 75.32 C ATOM 1906 C VAL A 124 -5.039 10.868 -3.378 1.00 51.25 C ATOM 1907 O VAL A 124 -5.049 10.036 -4.292 1.00 40.11 O ATOM 1908 CB VAL A 124 -4.767 13.401 -3.681 1.00 24.31 C ATOM 1909 CG1 VAL A 124 -3.840 13.169 -4.907 1.00 40.34 C ATOM 1910 CG2 VAL A 124 -5.491 14.768 -3.791 1.00 0.31 C ATOM 0 H VAL A 124 -6.488 13.295 -1.809 1.00 4.53 H new ATOM 0 HA VAL A 124 -6.436 12.171 -4.391 1.00 75.32 H new ATOM 0 HB VAL A 124 -4.142 13.420 -2.789 1.00 24.31 H new ATOM 0 HG11 VAL A 124 -3.141 14.001 -4.998 1.00 40.34 H new ATOM 0 HG12 VAL A 124 -3.284 12.241 -4.772 1.00 40.34 H new ATOM 0 HG13 VAL A 124 -4.444 13.102 -5.812 1.00 40.34 H new ATOM 0 HG21 VAL A 124 -4.754 15.562 -3.910 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -6.157 14.759 -4.654 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -6.072 14.946 -2.886 1.00 0.31 H new ATOM 1920 N ILE A 125 -4.405 10.666 -2.221 1.00 22.33 N ATOM 1921 CA ILE A 125 -3.642 9.442 -1.908 1.00 51.32 C ATOM 1922 C ILE A 125 -4.588 8.305 -1.440 1.00 3.21 C ATOM 1923 O ILE A 125 -4.511 7.186 -1.946 1.00 41.02 O ATOM 1924 CB ILE A 125 -2.550 9.735 -0.809 1.00 20.00 C ATOM 1925 CG1 ILE A 125 -1.597 10.886 -1.273 1.00 4.02 C ATOM 1926 CG2 ILE A 125 -1.750 8.457 -0.435 1.00 2.02 C ATOM 1927 CD1 ILE A 125 -0.541 11.304 -0.252 1.00 53.41 C ATOM 0 H ILE A 125 -4.403 11.350 -1.464 1.00 22.33 H new ATOM 0 HA ILE A 125 -3.139 9.115 -2.818 1.00 51.32 H new ATOM 0 HB ILE A 125 -3.067 10.062 0.093 1.00 20.00 H new ATOM 0 HG12 ILE A 125 -1.092 10.573 -2.187 1.00 4.02 H new ATOM 0 HG13 ILE A 125 -2.201 11.757 -1.525 1.00 4.02 H new ATOM 0 HG21 ILE A 125 -1.008 8.702 0.325 1.00 2.02 H new ATOM 0 HG22 ILE A 125 -2.432 7.701 -0.046 1.00 2.02 H new ATOM 0 HG23 ILE A 125 -1.247 8.070 -1.321 1.00 2.02 H new ATOM 0 HD11 ILE A 125 0.069 12.106 -0.667 1.00 53.41 H new ATOM 0 HD12 ILE A 125 -1.032 11.654 0.656 1.00 53.41 H new ATOM 0 HD13 ILE A 125 0.094 10.451 -0.016 1.00 53.41 H new ATOM 1939 N GLY A 126 -5.488 8.617 -0.484 1.00 13.51 N ATOM 1940 CA GLY A 126 -6.388 7.609 0.124 1.00 44.51 C ATOM 1941 C GLY A 126 -7.419 6.994 -0.843 1.00 22.52 C ATOM 1942 O GLY A 126 -7.667 5.788 -0.810 1.00 3.32 O ATOM 0 H GLY A 126 -5.612 9.560 -0.115 1.00 13.51 H new ATOM 0 HA2 GLY A 126 -5.781 6.807 0.543 1.00 44.51 H new ATOM 0 HA3 GLY A 126 -6.921 8.073 0.954 1.00 44.51 H new ATOM 1946 N ASP A 127 -8.041 7.826 -1.690 1.00 53.20 N ATOM 1947 CA ASP A 127 -9.007 7.359 -2.714 1.00 23.13 C ATOM 1948 C ASP A 127 -8.302 7.133 -4.080 1.00 43.31 C ATOM 1949 O ASP A 127 -8.276 6.010 -4.602 1.00 62.01 O ATOM 1950 CB ASP A 127 -10.171 8.380 -2.841 1.00 34.33 C ATOM 1951 CG ASP A 127 -11.167 8.039 -3.968 1.00 1.13 C ATOM 1952 OD1 ASP A 127 -12.021 7.145 -3.774 1.00 42.43 O ATOM 1953 OD2 ASP A 127 -11.100 8.664 -5.053 1.00 32.52 O ATOM 0 H ASP A 127 -7.895 8.836 -1.691 1.00 53.20 H new ATOM 0 HA ASP A 127 -9.420 6.400 -2.400 1.00 23.13 H new ATOM 0 HB2 ASP A 127 -10.708 8.426 -1.894 1.00 34.33 H new ATOM 0 HB3 ASP A 127 -9.756 9.372 -3.021 1.00 34.33 H new ATOM 1958 N GLY A 128 -7.689 8.209 -4.605 1.00 45.34 N ATOM 1959 CA GLY A 128 -7.158 8.240 -5.979 1.00 42.22 C ATOM 1960 C GLY A 128 -5.964 7.312 -6.254 1.00 14.20 C ATOM 1961 O GLY A 128 -5.652 7.043 -7.415 1.00 45.12 O ATOM 0 H GLY A 128 -7.548 9.078 -4.091 1.00 45.34 H new ATOM 0 HA2 GLY A 128 -7.963 7.979 -6.666 1.00 42.22 H new ATOM 0 HA3 GLY A 128 -6.860 9.263 -6.211 1.00 42.22 H new ATOM 1965 N VAL A 129 -5.274 6.850 -5.193 1.00 52.51 N ATOM 1966 CA VAL A 129 -4.144 5.890 -5.314 1.00 50.14 C ATOM 1967 C VAL A 129 -4.469 4.555 -4.591 1.00 64.43 C ATOM 1968 O VAL A 129 -4.361 3.468 -5.185 1.00 35.34 O ATOM 1969 CB VAL A 129 -2.808 6.496 -4.731 1.00 51.42 C ATOM 1970 CG1 VAL A 129 -1.618 5.503 -4.854 1.00 70.33 C ATOM 1971 CG2 VAL A 129 -2.465 7.858 -5.395 1.00 43.13 C ATOM 0 H VAL A 129 -5.477 7.125 -4.232 1.00 52.51 H new ATOM 0 HA VAL A 129 -4.002 5.694 -6.377 1.00 50.14 H new ATOM 0 HB VAL A 129 -2.978 6.673 -3.669 1.00 51.42 H new ATOM 0 HG11 VAL A 129 -0.719 5.960 -4.441 1.00 70.33 H new ATOM 0 HG12 VAL A 129 -1.847 4.591 -4.303 1.00 70.33 H new ATOM 0 HG13 VAL A 129 -1.453 5.261 -5.904 1.00 70.33 H new ATOM 0 HG21 VAL A 129 -1.540 8.247 -4.970 1.00 43.13 H new ATOM 0 HG22 VAL A 129 -2.341 7.718 -6.469 1.00 43.13 H new ATOM 0 HG23 VAL A 129 -3.274 8.566 -5.212 1.00 43.13 H new ATOM 1981 N PHE A 130 -4.876 4.657 -3.308 1.00 70.05 N ATOM 1982 CA PHE A 130 -5.078 3.487 -2.416 1.00 43.31 C ATOM 1983 C PHE A 130 -6.361 2.720 -2.752 1.00 43.13 C ATOM 1984 O PHE A 130 -6.290 1.545 -3.114 1.00 74.23 O ATOM 1985 CB PHE A 130 -5.080 3.916 -0.911 1.00 51.15 C ATOM 1986 CG PHE A 130 -3.719 4.257 -0.303 1.00 10.13 C ATOM 1987 CD1 PHE A 130 -2.600 4.525 -1.098 1.00 1.30 C ATOM 1988 CD2 PHE A 130 -3.559 4.291 1.082 1.00 12.53 C ATOM 1989 CE1 PHE A 130 -1.376 4.812 -0.527 1.00 44.05 C ATOM 1990 CE2 PHE A 130 -2.336 4.576 1.649 1.00 65.15 C ATOM 1991 CZ PHE A 130 -1.244 4.835 0.845 1.00 62.43 C ATOM 0 H PHE A 130 -5.075 5.551 -2.858 1.00 70.05 H new ATOM 0 HA PHE A 130 -4.237 2.815 -2.586 1.00 43.31 H new ATOM 0 HB2 PHE A 130 -5.730 4.784 -0.803 1.00 51.15 H new ATOM 0 HB3 PHE A 130 -5.524 3.111 -0.326 1.00 51.15 H new ATOM 0 HD1 PHE A 130 -2.695 4.507 -2.174 1.00 1.30 H new ATOM 0 HD2 PHE A 130 -4.407 4.091 1.720 1.00 12.53 H new ATOM 0 HE1 PHE A 130 -0.522 5.018 -1.155 1.00 44.05 H new ATOM 0 HE2 PHE A 130 -2.231 4.597 2.724 1.00 65.15 H new ATOM 0 HZ PHE A 130 -0.286 5.056 1.291 1.00 62.43 H new ATOM 2001 N ALA A 131 -7.525 3.399 -2.648 1.00 33.13 N ATOM 2002 CA ALA A 131 -8.848 2.769 -2.891 1.00 62.11 C ATOM 2003 C ALA A 131 -8.918 2.119 -4.292 1.00 51.42 C ATOM 2004 O ALA A 131 -9.521 1.072 -4.461 1.00 71.24 O ATOM 2005 CB ALA A 131 -9.980 3.789 -2.705 1.00 72.42 C ATOM 0 H ALA A 131 -7.578 4.386 -2.397 1.00 33.13 H new ATOM 0 HA ALA A 131 -8.976 1.976 -2.154 1.00 62.11 H new ATOM 0 HB1 ALA A 131 -10.939 3.305 -2.888 1.00 72.42 H new ATOM 0 HB2 ALA A 131 -9.957 4.176 -1.686 1.00 72.42 H new ATOM 0 HB3 ALA A 131 -9.848 4.611 -3.408 1.00 72.42 H new ATOM 2011 N VAL A 132 -8.248 2.749 -5.268 1.00 33.43 N ATOM 2012 CA VAL A 132 -8.053 2.199 -6.626 1.00 2.25 C ATOM 2013 C VAL A 132 -7.443 0.757 -6.605 1.00 44.34 C ATOM 2014 O VAL A 132 -8.046 -0.187 -7.135 1.00 73.14 O ATOM 2015 CB VAL A 132 -7.135 3.181 -7.450 1.00 13.51 C ATOM 2016 CG1 VAL A 132 -6.570 2.520 -8.724 1.00 54.13 C ATOM 2017 CG2 VAL A 132 -7.891 4.490 -7.793 1.00 22.42 C ATOM 0 H VAL A 132 -7.820 3.666 -5.139 1.00 33.43 H new ATOM 0 HA VAL A 132 -9.030 2.113 -7.102 1.00 2.25 H new ATOM 0 HB VAL A 132 -6.284 3.431 -6.816 1.00 13.51 H new ATOM 0 HG11 VAL A 132 -5.944 3.235 -9.258 1.00 54.13 H new ATOM 0 HG12 VAL A 132 -5.973 1.650 -8.449 1.00 54.13 H new ATOM 0 HG13 VAL A 132 -7.393 2.207 -9.367 1.00 54.13 H new ATOM 0 HG21 VAL A 132 -7.236 5.150 -8.361 1.00 22.42 H new ATOM 0 HG22 VAL A 132 -8.774 4.255 -8.387 1.00 22.42 H new ATOM 0 HG23 VAL A 132 -8.195 4.986 -6.872 1.00 22.42 H new ATOM 2027 N GLY A 133 -6.270 0.608 -5.958 1.00 31.43 N ATOM 2028 CA GLY A 133 -5.565 -0.685 -5.902 1.00 15.41 C ATOM 2029 C GLY A 133 -6.305 -1.735 -5.061 1.00 15.24 C ATOM 2030 O GLY A 133 -6.326 -2.921 -5.405 1.00 30.41 O ATOM 0 H GLY A 133 -5.793 1.365 -5.469 1.00 31.43 H new ATOM 0 HA2 GLY A 133 -5.434 -1.065 -6.915 1.00 15.41 H new ATOM 0 HA3 GLY A 133 -4.569 -0.532 -5.488 1.00 15.41 H new ATOM 2034 N LEU A 134 -6.930 -1.266 -3.969 1.00 64.53 N ATOM 2035 CA LEU A 134 -7.726 -2.102 -3.044 1.00 22.42 C ATOM 2036 C LEU A 134 -8.968 -2.720 -3.740 1.00 24.40 C ATOM 2037 O LEU A 134 -9.224 -3.925 -3.617 1.00 74.15 O ATOM 2038 CB LEU A 134 -8.166 -1.244 -1.827 1.00 62.53 C ATOM 2039 CG LEU A 134 -7.021 -0.702 -0.916 1.00 73.04 C ATOM 2040 CD1 LEU A 134 -7.587 0.101 0.265 1.00 33.04 C ATOM 2041 CD2 LEU A 134 -6.097 -1.838 -0.431 1.00 21.31 C ATOM 0 H LEU A 134 -6.899 -0.284 -3.697 1.00 64.53 H new ATOM 0 HA LEU A 134 -7.099 -2.929 -2.711 1.00 22.42 H new ATOM 0 HB2 LEU A 134 -8.741 -0.395 -2.196 1.00 62.53 H new ATOM 0 HB3 LEU A 134 -8.839 -1.841 -1.212 1.00 62.53 H new ATOM 0 HG LEU A 134 -6.414 -0.026 -1.518 1.00 73.04 H new ATOM 0 HD11 LEU A 134 -6.767 0.466 0.883 1.00 33.04 H new ATOM 0 HD12 LEU A 134 -8.162 0.947 -0.112 1.00 33.04 H new ATOM 0 HD13 LEU A 134 -8.235 -0.540 0.864 1.00 33.04 H new ATOM 0 HD21 LEU A 134 -5.311 -1.423 0.201 1.00 21.31 H new ATOM 0 HD22 LEU A 134 -6.679 -2.561 0.141 1.00 21.31 H new ATOM 0 HD23 LEU A 134 -5.647 -2.333 -1.291 1.00 21.31 H new ATOM 2053 N ASN A 135 -9.714 -1.874 -4.477 1.00 53.31 N ATOM 2054 CA ASN A 135 -10.934 -2.292 -5.210 1.00 22.55 C ATOM 2055 C ASN A 135 -10.596 -3.341 -6.284 1.00 13.22 C ATOM 2056 O ASN A 135 -11.236 -4.382 -6.352 1.00 71.51 O ATOM 2057 CB ASN A 135 -11.643 -1.069 -5.856 1.00 60.43 C ATOM 2058 CG ASN A 135 -12.250 -0.109 -4.831 1.00 5.12 C ATOM 2059 OD1 ASN A 135 -12.692 -0.508 -3.761 1.00 71.41 O ATOM 2060 ND2 ASN A 135 -12.288 1.171 -5.158 1.00 74.32 N ATOM 0 H ASN A 135 -9.492 -0.884 -4.583 1.00 53.31 H new ATOM 0 HA ASN A 135 -11.616 -2.742 -4.489 1.00 22.55 H new ATOM 0 HB2 ASN A 135 -10.926 -0.526 -6.472 1.00 60.43 H new ATOM 0 HB3 ASN A 135 -12.430 -1.424 -6.521 1.00 60.43 H new ATOM 0 HD21 ASN A 135 -12.692 1.850 -4.513 1.00 74.32 H new ATOM 0 HD22 ASN A 135 -11.913 1.480 -6.055 1.00 74.32 H new ATOM 2067 N ALA A 136 -9.550 -3.070 -7.086 1.00 21.43 N ATOM 2068 CA ALA A 136 -9.102 -3.991 -8.160 1.00 50.32 C ATOM 2069 C ALA A 136 -8.598 -5.345 -7.599 1.00 63.11 C ATOM 2070 O ALA A 136 -8.760 -6.383 -8.244 1.00 52.15 O ATOM 2071 CB ALA A 136 -8.015 -3.325 -9.011 1.00 63.55 C ATOM 0 H ALA A 136 -8.994 -2.218 -7.014 1.00 21.43 H new ATOM 0 HA ALA A 136 -9.968 -4.205 -8.787 1.00 50.32 H new ATOM 0 HB1 ALA A 136 -7.695 -4.011 -9.795 1.00 63.55 H new ATOM 0 HB2 ALA A 136 -8.413 -2.417 -9.464 1.00 63.55 H new ATOM 0 HB3 ALA A 136 -7.163 -3.073 -8.380 1.00 63.55 H new ATOM 2077 N LEU A 137 -7.994 -5.318 -6.389 1.00 22.14 N ATOM 2078 CA LEU A 137 -7.524 -6.542 -5.692 1.00 64.53 C ATOM 2079 C LEU A 137 -8.741 -7.411 -5.257 1.00 22.02 C ATOM 2080 O LEU A 137 -8.739 -8.633 -5.422 1.00 5.41 O ATOM 2081 CB LEU A 137 -6.616 -6.157 -4.472 1.00 21.23 C ATOM 2082 CG LEU A 137 -5.555 -7.226 -4.005 1.00 30.31 C ATOM 2083 CD1 LEU A 137 -4.525 -6.629 -3.031 1.00 51.24 C ATOM 2084 CD2 LEU A 137 -6.190 -8.477 -3.376 1.00 50.43 C ATOM 0 H LEU A 137 -7.819 -4.457 -5.871 1.00 22.14 H new ATOM 0 HA LEU A 137 -6.920 -7.138 -6.376 1.00 64.53 H new ATOM 0 HB2 LEU A 137 -6.085 -5.239 -4.722 1.00 21.23 H new ATOM 0 HB3 LEU A 137 -7.264 -5.930 -3.625 1.00 21.23 H new ATOM 0 HG LEU A 137 -5.046 -7.535 -4.918 1.00 30.31 H new ATOM 0 HD11 LEU A 137 -3.814 -7.400 -2.736 1.00 51.24 H new ATOM 0 HD12 LEU A 137 -3.993 -5.813 -3.520 1.00 51.24 H new ATOM 0 HD13 LEU A 137 -5.037 -6.250 -2.147 1.00 51.24 H new ATOM 0 HD21 LEU A 137 -5.405 -9.172 -3.077 1.00 50.43 H new ATOM 0 HD22 LEU A 137 -6.773 -8.189 -2.501 1.00 50.43 H new ATOM 0 HD23 LEU A 137 -6.843 -8.959 -4.104 1.00 50.43 H new ATOM 2096 N ALA A 138 -9.777 -6.755 -4.722 1.00 41.15 N ATOM 2097 CA ALA A 138 -11.020 -7.430 -4.295 1.00 62.24 C ATOM 2098 C ALA A 138 -11.805 -8.009 -5.500 1.00 70.44 C ATOM 2099 O ALA A 138 -12.274 -9.155 -5.464 1.00 14.24 O ATOM 2100 CB ALA A 138 -11.886 -6.443 -3.502 1.00 74.13 C ATOM 0 H ALA A 138 -9.783 -5.746 -4.571 1.00 41.15 H new ATOM 0 HA ALA A 138 -10.754 -8.273 -3.658 1.00 62.24 H new ATOM 0 HB1 ALA A 138 -12.804 -6.938 -3.185 1.00 74.13 H new ATOM 0 HB2 ALA A 138 -11.337 -6.101 -2.625 1.00 74.13 H new ATOM 0 HB3 ALA A 138 -12.133 -5.588 -4.132 1.00 74.13 H new ATOM 2106 N GLU A 139 -11.901 -7.202 -6.573 1.00 51.32 N ATOM 2107 CA GLU A 139 -12.711 -7.508 -7.771 1.00 1.03 C ATOM 2108 C GLU A 139 -12.057 -8.577 -8.685 1.00 71.25 C ATOM 2109 O GLU A 139 -12.773 -9.350 -9.336 1.00 44.41 O ATOM 2110 CB GLU A 139 -13.033 -6.193 -8.542 1.00 63.04 C ATOM 2111 CG GLU A 139 -13.934 -5.221 -7.735 1.00 65.32 C ATOM 2112 CD GLU A 139 -14.217 -3.884 -8.446 1.00 25.34 C ATOM 2113 OE1 GLU A 139 -15.217 -3.790 -9.188 1.00 12.41 O ATOM 2114 OE2 GLU A 139 -13.457 -2.912 -8.247 1.00 71.40 O ATOM 0 H GLU A 139 -11.413 -6.308 -6.635 1.00 51.32 H new ATOM 0 HA GLU A 139 -13.648 -7.952 -7.435 1.00 1.03 H new ATOM 0 HB2 GLU A 139 -12.100 -5.689 -8.795 1.00 63.04 H new ATOM 0 HB3 GLU A 139 -13.526 -6.441 -9.482 1.00 63.04 H new ATOM 0 HG2 GLU A 139 -14.882 -5.714 -7.523 1.00 65.32 H new ATOM 0 HG3 GLU A 139 -13.460 -5.016 -6.775 1.00 65.32 H new ATOM 2121 N ARG A 140 -10.707 -8.633 -8.726 1.00 62.14 N ATOM 2122 CA ARG A 140 -9.977 -9.680 -9.499 1.00 22.35 C ATOM 2123 C ARG A 140 -10.191 -11.091 -8.882 1.00 24.05 C ATOM 2124 O ARG A 140 -10.182 -12.096 -9.593 1.00 32.21 O ATOM 2125 CB ARG A 140 -8.457 -9.342 -9.616 1.00 73.10 C ATOM 2126 CG ARG A 140 -7.638 -9.504 -8.317 1.00 62.43 C ATOM 2127 CD ARG A 140 -6.195 -8.963 -8.424 1.00 54.01 C ATOM 2128 NE ARG A 140 -5.416 -9.619 -9.488 1.00 13.21 N ATOM 2129 CZ ARG A 140 -4.545 -10.596 -9.323 1.00 24.43 C ATOM 2130 NH1 ARG A 140 -4.344 -11.143 -8.158 1.00 4.14 N ATOM 2131 NH2 ARG A 140 -3.894 -11.035 -10.348 1.00 72.02 N ATOM 0 H ARG A 140 -10.099 -7.974 -8.239 1.00 62.14 H new ATOM 0 HA ARG A 140 -10.393 -9.693 -10.507 1.00 22.35 H new ATOM 0 HB2 ARG A 140 -8.019 -9.980 -10.383 1.00 73.10 H new ATOM 0 HB3 ARG A 140 -8.357 -8.313 -9.962 1.00 73.10 H new ATOM 0 HG2 ARG A 140 -8.152 -8.987 -7.507 1.00 62.43 H new ATOM 0 HG3 ARG A 140 -7.602 -10.560 -8.049 1.00 62.43 H new ATOM 0 HD2 ARG A 140 -6.227 -7.890 -8.613 1.00 54.01 H new ATOM 0 HD3 ARG A 140 -5.688 -9.103 -7.470 1.00 54.01 H new ATOM 0 HE ARG A 140 -5.564 -9.287 -10.441 1.00 13.21 H new ATOM 0 HH11 ARG A 140 -4.866 -10.817 -7.345 1.00 4.14 H new ATOM 0 HH12 ARG A 140 -3.664 -11.897 -8.059 1.00 4.14 H new ATOM 0 HH21 ARG A 140 -4.057 -10.627 -11.269 1.00 72.02 H new ATOM 0 HH22 ARG A 140 -3.217 -11.790 -10.237 1.00 72.02 H new ATOM 2145 N TYR A 141 -10.396 -11.151 -7.550 1.00 71.34 N ATOM 2146 CA TYR A 141 -10.742 -12.413 -6.842 1.00 40.55 C ATOM 2147 C TYR A 141 -12.266 -12.598 -6.692 1.00 44.30 C ATOM 2148 O TYR A 141 -12.717 -13.658 -6.251 1.00 42.33 O ATOM 2149 CB TYR A 141 -10.067 -12.465 -5.452 1.00 54.52 C ATOM 2150 CG TYR A 141 -8.544 -12.613 -5.513 1.00 5.53 C ATOM 2151 CD1 TYR A 141 -7.950 -13.813 -5.925 1.00 54.20 C ATOM 2152 CD2 TYR A 141 -7.702 -11.573 -5.145 1.00 1.10 C ATOM 2153 CE1 TYR A 141 -6.578 -13.952 -5.967 1.00 41.52 C ATOM 2154 CE2 TYR A 141 -6.337 -11.706 -5.186 1.00 31.54 C ATOM 2155 CZ TYR A 141 -5.773 -12.897 -5.593 1.00 4.34 C ATOM 2156 OH TYR A 141 -4.400 -13.027 -5.638 1.00 44.54 O ATOM 0 H TYR A 141 -10.329 -10.339 -6.936 1.00 71.34 H new ATOM 0 HA TYR A 141 -10.366 -13.232 -7.455 1.00 40.55 H new ATOM 0 HB2 TYR A 141 -10.313 -11.556 -4.904 1.00 54.52 H new ATOM 0 HB3 TYR A 141 -10.482 -13.300 -4.887 1.00 54.52 H new ATOM 0 HD1 TYR A 141 -8.577 -14.643 -6.215 1.00 54.20 H new ATOM 0 HD2 TYR A 141 -8.131 -10.637 -4.819 1.00 1.10 H new ATOM 0 HE1 TYR A 141 -6.137 -14.883 -6.291 1.00 41.52 H new ATOM 0 HE2 TYR A 141 -5.705 -10.879 -4.900 1.00 31.54 H new ATOM 0 HH TYR A 141 -4.154 -13.655 -6.349 1.00 44.54 H new ATOM 2166 N GLY A 142 -13.060 -11.589 -7.105 1.00 70.13 N ATOM 2167 CA GLY A 142 -14.540 -11.640 -7.004 1.00 62.01 C ATOM 2168 C GLY A 142 -15.233 -12.593 -8.010 1.00 54.11 C ATOM 2169 O GLY A 142 -16.413 -12.418 -8.319 1.00 63.43 O ATOM 0 H GLY A 142 -12.703 -10.725 -7.513 1.00 70.13 H new ATOM 0 HA2 GLY A 142 -14.810 -11.945 -5.993 1.00 62.01 H new ATOM 0 HA3 GLY A 142 -14.934 -10.634 -7.149 1.00 62.01 H new