USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1184 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 THR OG1 : rot -137:sc= 0.892 USER MOD Set 1.2: A 127 SER OG : rot -111:sc= 1.09 USER MOD Set 2.1: A 80 THR OG1 : rot 140:sc= 0 USER MOD Set 2.2: A 81 THR OG1 : rot 156:sc= 0.228 USER MOD Set 2.3: A 109 HIS : no HE2:sc= -1.1 K(o=-0.87,f=-2) USER MOD Single : A 4 SER OG : rot -101:sc= 0.308 USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= 0.181 (180deg=-2.37!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.191 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 0.388 (180deg=0.12) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 49 THR OG1 : rot -0:sc= 0.248 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.38 K(o=-0.38,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -26:sc= 0.632 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -164:sc= -0.174 (180deg=-0.701) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.0169 X(o=0.017,f=-0.079) USER MOD Single : A 87 HIS : no HE2:sc= -0.0471 K(o=-0.047,f=-2) USER MOD Single : A 98 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0094) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 137:sc= 0.607 (180deg=-0.258) USER MOD Single : A 119 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.33) USER MOD Single : A 121 THR OG1 : rot 83:sc= 0.387 USER MOD Single : A 123 MET CE :methyl 163:sc= -0.683 (180deg=-1.49) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.629 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -1.29 K(o=-1.3,f=-12!) USER MOD Single : A 135 MET CE :methyl 137:sc= -0.827 (180deg=-5.07!) USER MOD Single : A 136 GLN : amide:sc= 0.839 K(o=0.84,f=-0.015) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 154:sc= -0.431 (180deg=-1.28) USER MOD Single : A 141 MET CE :methyl -165:sc= -0.0371 (180deg=-0.316) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 MET CE :methyl -118:sc= -0.922 (180deg=-1.54) USER MOD Single : A 153 GLN : amide:sc= -3.25! K(o=-3.2!,f=-0.31) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -10.226 0.437 -9.189 1.00 43.53 N ATOM 18 CA VAL A 2 -9.053 -0.271 -9.720 1.00 32.54 C ATOM 19 C VAL A 2 -9.316 -0.652 -11.192 1.00 43.43 C ATOM 20 O VAL A 2 -10.133 -1.537 -11.479 1.00 73.23 O ATOM 21 CB VAL A 2 -8.757 -1.552 -8.861 1.00 41.20 C ATOM 22 CG1 VAL A 2 -7.607 -2.397 -9.471 1.00 11.42 C ATOM 23 CG2 VAL A 2 -8.450 -1.181 -7.389 1.00 41.05 C ATOM 0 HA VAL A 2 -8.180 0.379 -9.669 1.00 32.54 H new ATOM 0 HB VAL A 2 -9.658 -2.165 -8.874 1.00 41.20 H new ATOM 0 HG11 VAL A 2 -7.431 -3.275 -8.849 1.00 11.42 H new ATOM 0 HG12 VAL A 2 -7.883 -2.714 -10.477 1.00 11.42 H new ATOM 0 HG13 VAL A 2 -6.699 -1.796 -9.516 1.00 11.42 H new ATOM 0 HG21 VAL A 2 -8.249 -2.088 -6.819 1.00 41.05 H new ATOM 0 HG22 VAL A 2 -7.577 -0.529 -7.353 1.00 41.05 H new ATOM 0 HG23 VAL A 2 -9.307 -0.664 -6.958 1.00 41.05 H new ATOM 33 N VAL A 3 -8.642 0.041 -12.118 1.00 44.01 N ATOM 34 CA VAL A 3 -8.808 -0.192 -13.572 1.00 33.13 C ATOM 35 C VAL A 3 -7.908 -1.346 -14.094 1.00 71.11 C ATOM 36 O VAL A 3 -8.198 -1.918 -15.149 1.00 64.44 O ATOM 37 CB VAL A 3 -8.570 1.135 -14.396 1.00 43.41 C ATOM 38 CG1 VAL A 3 -9.728 2.142 -14.168 1.00 21.41 C ATOM 39 CG2 VAL A 3 -7.211 1.790 -14.039 1.00 20.25 C ATOM 0 H VAL A 3 -7.970 0.774 -11.891 1.00 44.01 H new ATOM 0 HA VAL A 3 -9.841 -0.504 -13.724 1.00 33.13 H new ATOM 0 HB VAL A 3 -8.546 0.863 -15.451 1.00 43.41 H new ATOM 0 HG11 VAL A 3 -9.542 3.048 -14.745 1.00 21.41 H new ATOM 0 HG12 VAL A 3 -10.668 1.694 -14.489 1.00 21.41 H new ATOM 0 HG13 VAL A 3 -9.789 2.393 -13.109 1.00 21.41 H new ATOM 0 HG21 VAL A 3 -7.081 2.700 -14.625 1.00 20.25 H new ATOM 0 HG22 VAL A 3 -7.193 2.036 -12.977 1.00 20.25 H new ATOM 0 HG23 VAL A 3 -6.402 1.095 -14.264 1.00 20.25 H new ATOM 49 N SER A 4 -6.841 -1.702 -13.342 1.00 60.04 N ATOM 50 CA SER A 4 -5.912 -2.795 -13.739 1.00 14.44 C ATOM 51 C SER A 4 -5.183 -3.412 -12.519 1.00 62.54 C ATOM 52 O SER A 4 -4.814 -2.704 -11.579 1.00 3.21 O ATOM 53 CB SER A 4 -4.871 -2.266 -14.752 1.00 41.20 C ATOM 54 OG SER A 4 -3.971 -3.280 -15.162 1.00 61.00 O ATOM 0 H SER A 4 -6.599 -1.252 -12.459 1.00 60.04 H new ATOM 0 HA SER A 4 -6.513 -3.579 -14.200 1.00 14.44 H new ATOM 0 HB2 SER A 4 -5.385 -1.863 -15.624 1.00 41.20 H new ATOM 0 HB3 SER A 4 -4.313 -1.445 -14.303 1.00 41.20 H new ATOM 0 HG SER A 4 -3.123 -3.179 -14.680 1.00 61.00 H new ATOM 60 N VAL A 5 -4.994 -4.754 -12.552 1.00 21.35 N ATOM 61 CA VAL A 5 -4.167 -5.509 -11.571 1.00 23.43 C ATOM 62 C VAL A 5 -3.127 -6.365 -12.340 1.00 64.32 C ATOM 63 O VAL A 5 -3.490 -7.327 -13.024 1.00 52.32 O ATOM 64 CB VAL A 5 -5.032 -6.458 -10.636 1.00 71.14 C ATOM 65 CG1 VAL A 5 -4.140 -7.214 -9.605 1.00 33.25 C ATOM 66 CG2 VAL A 5 -6.152 -5.678 -9.909 1.00 42.13 C ATOM 0 H VAL A 5 -5.414 -5.350 -13.265 1.00 21.35 H new ATOM 0 HA VAL A 5 -3.678 -4.778 -10.927 1.00 23.43 H new ATOM 0 HB VAL A 5 -5.502 -7.196 -11.286 1.00 71.14 H new ATOM 0 HG11 VAL A 5 -4.766 -7.854 -8.983 1.00 33.25 H new ATOM 0 HG12 VAL A 5 -3.410 -7.826 -10.135 1.00 33.25 H new ATOM 0 HG13 VAL A 5 -3.620 -6.492 -8.976 1.00 33.25 H new ATOM 0 HG21 VAL A 5 -6.722 -6.361 -9.279 1.00 42.13 H new ATOM 0 HG22 VAL A 5 -5.709 -4.898 -9.290 1.00 42.13 H new ATOM 0 HG23 VAL A 5 -6.816 -5.224 -10.645 1.00 42.13 H new ATOM 76 N ASP A 6 -1.846 -5.988 -12.255 1.00 65.55 N ATOM 77 CA ASP A 6 -0.721 -6.744 -12.851 1.00 72.44 C ATOM 78 C ASP A 6 0.142 -7.375 -11.741 1.00 21.21 C ATOM 79 O ASP A 6 0.391 -6.738 -10.721 1.00 15.31 O ATOM 80 CB ASP A 6 0.167 -5.801 -13.702 1.00 20.33 C ATOM 81 CG ASP A 6 -0.600 -5.140 -14.851 1.00 30.14 C ATOM 82 OD1 ASP A 6 -1.231 -4.086 -14.624 1.00 44.23 O ATOM 83 OD2 ASP A 6 -0.590 -5.683 -15.980 1.00 12.21 O ATOM 0 H ASP A 6 -1.551 -5.142 -11.767 1.00 65.55 H new ATOM 0 HA ASP A 6 -1.134 -7.529 -13.485 1.00 72.44 H new ATOM 0 HB2 ASP A 6 0.587 -5.027 -13.059 1.00 20.33 H new ATOM 0 HB3 ASP A 6 1.005 -6.367 -14.109 1.00 20.33 H new ATOM 88 N LYS A 7 0.592 -8.623 -11.947 1.00 22.34 N ATOM 89 CA LYS A 7 1.601 -9.267 -11.079 1.00 73.42 C ATOM 90 C LYS A 7 2.662 -9.976 -11.956 1.00 32.53 C ATOM 91 O LYS A 7 2.386 -11.026 -12.550 1.00 1.53 O ATOM 92 CB LYS A 7 0.938 -10.270 -10.089 1.00 72.13 C ATOM 93 CG LYS A 7 1.927 -10.826 -9.040 1.00 54.15 C ATOM 94 CD LYS A 7 1.331 -11.840 -8.028 1.00 3.23 C ATOM 95 CE LYS A 7 0.943 -13.199 -8.656 1.00 21.53 C ATOM 96 NZ LYS A 7 -0.360 -13.151 -9.366 1.00 24.25 N ATOM 0 H LYS A 7 0.271 -9.214 -12.714 1.00 22.34 H new ATOM 0 HA LYS A 7 2.089 -8.498 -10.481 1.00 73.42 H new ATOM 0 HB2 LYS A 7 0.114 -9.775 -9.576 1.00 72.13 H new ATOM 0 HB3 LYS A 7 0.510 -11.099 -10.653 1.00 72.13 H new ATOM 0 HG2 LYS A 7 2.753 -11.306 -9.564 1.00 54.15 H new ATOM 0 HG3 LYS A 7 2.347 -9.988 -8.483 1.00 54.15 H new ATOM 0 HD2 LYS A 7 2.056 -12.012 -7.232 1.00 3.23 H new ATOM 0 HD3 LYS A 7 0.448 -11.400 -7.565 1.00 3.23 H new ATOM 0 HE2 LYS A 7 1.721 -13.507 -9.354 1.00 21.53 H new ATOM 0 HE3 LYS A 7 0.898 -13.957 -7.874 1.00 21.53 H new ATOM 0 HZ1 LYS A 7 -0.931 -13.978 -9.100 1.00 24.25 H new ATOM 0 HZ2 LYS A 7 -0.867 -12.282 -9.103 1.00 24.25 H new ATOM 0 HZ3 LYS A 7 -0.196 -13.159 -10.393 1.00 24.25 H new ATOM 110 N ASP A 8 3.870 -9.385 -12.046 1.00 21.25 N ATOM 111 CA ASP A 8 4.991 -9.948 -12.830 1.00 72.14 C ATOM 112 C ASP A 8 5.814 -10.919 -11.967 1.00 4.02 C ATOM 113 O ASP A 8 6.573 -10.493 -11.100 1.00 14.34 O ATOM 114 CB ASP A 8 5.917 -8.825 -13.360 1.00 72.54 C ATOM 115 CG ASP A 8 5.191 -7.773 -14.207 1.00 64.02 C ATOM 116 OD1 ASP A 8 4.634 -8.124 -15.268 1.00 33.14 O ATOM 117 OD2 ASP A 8 5.187 -6.587 -13.822 1.00 54.32 O ATOM 0 H ASP A 8 4.097 -8.507 -11.580 1.00 21.25 H new ATOM 0 HA ASP A 8 4.566 -10.485 -13.678 1.00 72.14 H new ATOM 0 HB2 ASP A 8 6.394 -8.331 -12.514 1.00 72.54 H new ATOM 0 HB3 ASP A 8 6.711 -9.273 -13.957 1.00 72.54 H new ATOM 122 N VAL A 9 5.648 -12.228 -12.204 1.00 65.13 N ATOM 123 CA VAL A 9 6.422 -13.276 -11.498 1.00 35.14 C ATOM 124 C VAL A 9 7.891 -13.320 -12.008 1.00 0.14 C ATOM 125 O VAL A 9 8.811 -13.678 -11.266 1.00 65.43 O ATOM 126 CB VAL A 9 5.715 -14.672 -11.643 1.00 73.02 C ATOM 127 CG1 VAL A 9 6.462 -15.791 -10.865 1.00 34.11 C ATOM 128 CG2 VAL A 9 4.234 -14.571 -11.183 1.00 15.15 C ATOM 0 H VAL A 9 4.981 -12.595 -12.883 1.00 65.13 H new ATOM 0 HA VAL A 9 6.455 -13.028 -10.437 1.00 35.14 H new ATOM 0 HB VAL A 9 5.742 -14.949 -12.697 1.00 73.02 H new ATOM 0 HG11 VAL A 9 5.937 -16.737 -10.995 1.00 34.11 H new ATOM 0 HG12 VAL A 9 7.478 -15.885 -11.248 1.00 34.11 H new ATOM 0 HG13 VAL A 9 6.496 -15.537 -9.806 1.00 34.11 H new ATOM 0 HG21 VAL A 9 3.753 -15.544 -11.288 1.00 15.15 H new ATOM 0 HG22 VAL A 9 4.198 -14.259 -10.139 1.00 15.15 H new ATOM 0 HG23 VAL A 9 3.711 -13.840 -11.799 1.00 15.15 H new ATOM 138 N GLU A 10 8.086 -12.908 -13.274 1.00 2.34 N ATOM 139 CA GLU A 10 9.419 -12.800 -13.911 1.00 14.13 C ATOM 140 C GLU A 10 10.221 -11.620 -13.311 1.00 31.30 C ATOM 141 O GLU A 10 11.352 -11.782 -12.852 1.00 74.51 O ATOM 142 CB GLU A 10 9.257 -12.578 -15.440 1.00 74.35 C ATOM 143 CG GLU A 10 8.382 -13.614 -16.163 1.00 70.32 C ATOM 144 CD GLU A 10 8.154 -13.259 -17.644 1.00 3.10 C ATOM 145 OE1 GLU A 10 7.358 -12.332 -17.924 1.00 73.22 O ATOM 146 OE2 GLU A 10 8.778 -13.885 -18.523 1.00 33.05 O ATOM 0 H GLU A 10 7.320 -12.638 -13.891 1.00 2.34 H new ATOM 0 HA GLU A 10 9.961 -13.728 -13.725 1.00 14.13 H new ATOM 0 HB2 GLU A 10 8.831 -11.588 -15.604 1.00 74.35 H new ATOM 0 HB3 GLU A 10 10.246 -12.579 -15.898 1.00 74.35 H new ATOM 0 HG2 GLU A 10 8.854 -14.594 -16.096 1.00 70.32 H new ATOM 0 HG3 GLU A 10 7.419 -13.688 -15.658 1.00 70.32 H new ATOM 153 N ALA A 11 9.592 -10.429 -13.319 1.00 62.03 N ATOM 154 CA ALA A 11 10.213 -9.171 -12.835 1.00 72.11 C ATOM 155 C ALA A 11 10.070 -8.981 -11.303 1.00 65.21 C ATOM 156 O ALA A 11 10.573 -7.989 -10.758 1.00 12.30 O ATOM 157 CB ALA A 11 9.600 -7.971 -13.585 1.00 24.55 C ATOM 0 H ALA A 11 8.639 -10.307 -13.660 1.00 62.03 H new ATOM 0 HA ALA A 11 11.281 -9.233 -13.042 1.00 72.11 H new ATOM 0 HB1 ALA A 11 10.057 -7.048 -13.229 1.00 24.55 H new ATOM 0 HB2 ALA A 11 9.784 -8.078 -14.654 1.00 24.55 H new ATOM 0 HB3 ALA A 11 8.526 -7.938 -13.403 1.00 24.55 H new ATOM 163 N LEU A 12 9.383 -9.940 -10.628 1.00 12.54 N ATOM 164 CA LEU A 12 9.085 -9.893 -9.168 1.00 73.01 C ATOM 165 C LEU A 12 8.319 -8.598 -8.771 1.00 14.20 C ATOM 166 O LEU A 12 8.465 -8.088 -7.669 1.00 42.25 O ATOM 167 CB LEU A 12 10.394 -10.072 -8.336 1.00 43.22 C ATOM 168 CG LEU A 12 11.236 -11.349 -8.660 1.00 72.33 C ATOM 169 CD1 LEU A 12 12.523 -11.397 -7.803 1.00 42.53 C ATOM 170 CD2 LEU A 12 10.400 -12.635 -8.488 1.00 64.12 C ATOM 0 H LEU A 12 9.016 -10.775 -11.084 1.00 12.54 H new ATOM 0 HA LEU A 12 8.422 -10.726 -8.936 1.00 73.01 H new ATOM 0 HB2 LEU A 12 11.023 -9.196 -8.491 1.00 43.22 H new ATOM 0 HB3 LEU A 12 10.130 -10.092 -7.279 1.00 43.22 H new ATOM 0 HG LEU A 12 11.534 -11.292 -9.707 1.00 72.33 H new ATOM 0 HD11 LEU A 12 13.090 -12.295 -8.048 1.00 42.53 H new ATOM 0 HD12 LEU A 12 13.131 -10.516 -8.010 1.00 42.53 H new ATOM 0 HD13 LEU A 12 12.256 -11.414 -6.746 1.00 42.53 H new ATOM 0 HD21 LEU A 12 11.016 -13.503 -8.721 1.00 64.12 H new ATOM 0 HD22 LEU A 12 10.048 -12.705 -7.459 1.00 64.12 H new ATOM 0 HD23 LEU A 12 9.544 -12.606 -9.162 1.00 64.12 H new ATOM 182 N SER A 13 7.478 -8.103 -9.689 1.00 2.35 N ATOM 183 CA SER A 13 6.698 -6.854 -9.507 1.00 24.51 C ATOM 184 C SER A 13 5.210 -7.165 -9.230 1.00 63.11 C ATOM 185 O SER A 13 4.725 -8.264 -9.523 1.00 43.32 O ATOM 186 CB SER A 13 6.833 -5.979 -10.777 1.00 61.35 C ATOM 187 OG SER A 13 6.027 -4.815 -10.720 1.00 71.53 O ATOM 0 H SER A 13 7.313 -8.555 -10.588 1.00 2.35 H new ATOM 0 HA SER A 13 7.093 -6.315 -8.646 1.00 24.51 H new ATOM 0 HB2 SER A 13 7.876 -5.689 -10.906 1.00 61.35 H new ATOM 0 HB3 SER A 13 6.555 -6.567 -11.651 1.00 61.35 H new ATOM 0 HG SER A 13 6.146 -4.294 -11.541 1.00 71.53 H new ATOM 193 N PHE A 14 4.501 -6.181 -8.652 1.00 74.34 N ATOM 194 CA PHE A 14 3.036 -6.234 -8.475 1.00 51.24 C ATOM 195 C PHE A 14 2.446 -4.803 -8.555 1.00 65.55 C ATOM 196 O PHE A 14 2.490 -4.049 -7.590 1.00 32.51 O ATOM 197 CB PHE A 14 2.696 -6.925 -7.123 1.00 2.41 C ATOM 198 CG PHE A 14 1.212 -6.956 -6.793 1.00 74.53 C ATOM 199 CD1 PHE A 14 0.305 -7.511 -7.688 1.00 3.02 C ATOM 200 CD2 PHE A 14 0.721 -6.415 -5.605 1.00 50.23 C ATOM 201 CE1 PHE A 14 -1.037 -7.521 -7.421 1.00 55.24 C ATOM 202 CE2 PHE A 14 -0.629 -6.433 -5.333 1.00 30.25 C ATOM 203 CZ PHE A 14 -1.505 -6.985 -6.245 1.00 33.15 C ATOM 0 H PHE A 14 4.925 -5.325 -8.294 1.00 74.34 H new ATOM 0 HA PHE A 14 2.586 -6.824 -9.274 1.00 51.24 H new ATOM 0 HB2 PHE A 14 3.073 -7.948 -7.146 1.00 2.41 H new ATOM 0 HB3 PHE A 14 3.224 -6.409 -6.321 1.00 2.41 H new ATOM 0 HD1 PHE A 14 0.666 -7.942 -8.610 1.00 3.02 H new ATOM 0 HD2 PHE A 14 1.405 -5.978 -4.892 1.00 50.23 H new ATOM 0 HE1 PHE A 14 -1.727 -7.949 -8.133 1.00 55.24 H new ATOM 0 HE2 PHE A 14 -1.001 -6.016 -4.409 1.00 30.25 H new ATOM 0 HZ PHE A 14 -2.564 -6.996 -6.034 1.00 33.15 H new ATOM 213 N SER A 15 1.836 -4.468 -9.702 1.00 51.54 N ATOM 214 CA SER A 15 1.382 -3.093 -10.021 1.00 71.40 C ATOM 215 C SER A 15 -0.155 -3.004 -10.076 1.00 23.53 C ATOM 216 O SER A 15 -0.783 -3.570 -10.972 1.00 4.02 O ATOM 217 CB SER A 15 1.996 -2.642 -11.374 1.00 63.21 C ATOM 218 OG SER A 15 1.553 -1.346 -11.764 1.00 62.41 O ATOM 0 H SER A 15 1.640 -5.142 -10.442 1.00 51.54 H new ATOM 0 HA SER A 15 1.722 -2.428 -9.227 1.00 71.40 H new ATOM 0 HB2 SER A 15 3.083 -2.643 -11.295 1.00 63.21 H new ATOM 0 HB3 SER A 15 1.732 -3.362 -12.148 1.00 63.21 H new ATOM 0 HG SER A 15 1.965 -1.103 -12.619 1.00 62.41 H new ATOM 224 N ILE A 16 -0.755 -2.265 -9.130 1.00 63.52 N ATOM 225 CA ILE A 16 -2.205 -1.981 -9.124 1.00 54.33 C ATOM 226 C ILE A 16 -2.428 -0.553 -9.642 1.00 23.24 C ATOM 227 O ILE A 16 -2.043 0.426 -8.993 1.00 75.42 O ATOM 228 CB ILE A 16 -2.829 -2.129 -7.683 1.00 2.31 C ATOM 229 CG1 ILE A 16 -2.640 -3.586 -7.162 1.00 44.24 C ATOM 230 CG2 ILE A 16 -4.331 -1.719 -7.660 1.00 2.40 C ATOM 231 CD1 ILE A 16 -3.147 -3.827 -5.750 1.00 53.10 C ATOM 0 H ILE A 16 -0.253 -1.846 -8.347 1.00 63.52 H new ATOM 0 HA ILE A 16 -2.701 -2.707 -9.769 1.00 54.33 H new ATOM 0 HB ILE A 16 -2.301 -1.447 -7.017 1.00 2.31 H new ATOM 0 HG12 ILE A 16 -3.153 -4.269 -7.839 1.00 44.24 H new ATOM 0 HG13 ILE A 16 -1.580 -3.836 -7.200 1.00 44.24 H new ATOM 0 HG21 ILE A 16 -4.724 -1.835 -6.650 1.00 2.40 H new ATOM 0 HG22 ILE A 16 -4.429 -0.679 -7.970 1.00 2.40 H new ATOM 0 HG23 ILE A 16 -4.893 -2.356 -8.343 1.00 2.40 H new ATOM 0 HD11 ILE A 16 -2.973 -4.867 -5.474 1.00 53.10 H new ATOM 0 HD12 ILE A 16 -2.617 -3.174 -5.057 1.00 53.10 H new ATOM 0 HD13 ILE A 16 -4.215 -3.613 -5.705 1.00 53.10 H new ATOM 243 N VAL A 17 -3.033 -0.456 -10.827 1.00 34.41 N ATOM 244 CA VAL A 17 -3.306 0.817 -11.500 1.00 63.14 C ATOM 245 C VAL A 17 -4.758 1.247 -11.189 1.00 43.33 C ATOM 246 O VAL A 17 -5.705 0.488 -11.434 1.00 51.51 O ATOM 247 CB VAL A 17 -3.086 0.677 -13.051 1.00 13.21 C ATOM 248 CG1 VAL A 17 -3.329 2.017 -13.786 1.00 54.23 C ATOM 249 CG2 VAL A 17 -1.672 0.116 -13.361 1.00 61.52 C ATOM 0 H VAL A 17 -3.352 -1.269 -11.354 1.00 34.41 H new ATOM 0 HA VAL A 17 -2.618 1.579 -11.134 1.00 63.14 H new ATOM 0 HB VAL A 17 -3.822 -0.035 -13.425 1.00 13.21 H new ATOM 0 HG11 VAL A 17 -3.167 1.880 -14.855 1.00 54.23 H new ATOM 0 HG12 VAL A 17 -4.354 2.346 -13.613 1.00 54.23 H new ATOM 0 HG13 VAL A 17 -2.637 2.770 -13.408 1.00 54.23 H new ATOM 0 HG21 VAL A 17 -1.544 0.028 -14.440 1.00 61.52 H new ATOM 0 HG22 VAL A 17 -0.917 0.791 -12.960 1.00 61.52 H new ATOM 0 HG23 VAL A 17 -1.561 -0.866 -12.901 1.00 61.52 H new ATOM 259 N ALA A 18 -4.915 2.454 -10.629 1.00 42.24 N ATOM 260 CA ALA A 18 -6.224 2.986 -10.191 1.00 31.44 C ATOM 261 C ALA A 18 -6.383 4.472 -10.574 1.00 12.11 C ATOM 262 O ALA A 18 -5.400 5.154 -10.849 1.00 63.15 O ATOM 263 CB ALA A 18 -6.356 2.799 -8.665 1.00 33.43 C ATOM 0 H ALA A 18 -4.139 3.095 -10.464 1.00 42.24 H new ATOM 0 HA ALA A 18 -7.017 2.436 -10.698 1.00 31.44 H new ATOM 0 HB1 ALA A 18 -7.318 3.188 -8.333 1.00 33.43 H new ATOM 0 HB2 ALA A 18 -6.290 1.739 -8.421 1.00 33.43 H new ATOM 0 HB3 ALA A 18 -5.553 3.338 -8.162 1.00 33.43 H new ATOM 269 N GLU A 19 -7.636 4.957 -10.609 1.00 24.12 N ATOM 270 CA GLU A 19 -7.959 6.399 -10.793 1.00 14.52 C ATOM 271 C GLU A 19 -9.005 6.850 -9.768 1.00 23.02 C ATOM 272 O GLU A 19 -9.908 6.090 -9.429 1.00 43.13 O ATOM 273 CB GLU A 19 -8.497 6.698 -12.216 1.00 34.51 C ATOM 274 CG GLU A 19 -7.433 6.791 -13.324 1.00 54.24 C ATOM 275 CD GLU A 19 -8.003 7.422 -14.600 1.00 2.33 C ATOM 276 OE1 GLU A 19 -8.319 8.634 -14.558 1.00 45.53 O ATOM 277 OE2 GLU A 19 -8.191 6.721 -15.615 1.00 61.44 O ATOM 0 H GLU A 19 -8.461 4.366 -10.511 1.00 24.12 H new ATOM 0 HA GLU A 19 -7.029 6.949 -10.650 1.00 14.52 H new ATOM 0 HB2 GLU A 19 -9.210 5.919 -12.486 1.00 34.51 H new ATOM 0 HB3 GLU A 19 -9.048 7.638 -12.186 1.00 34.51 H new ATOM 0 HG2 GLU A 19 -6.589 7.383 -12.970 1.00 54.24 H new ATOM 0 HG3 GLU A 19 -7.052 5.795 -13.549 1.00 54.24 H new ATOM 284 N PHE A 20 -8.876 8.096 -9.278 1.00 61.14 N ATOM 285 CA PHE A 20 -9.832 8.702 -8.317 1.00 41.25 C ATOM 286 C PHE A 20 -10.146 10.151 -8.738 1.00 30.52 C ATOM 287 O PHE A 20 -9.240 10.903 -9.131 1.00 23.23 O ATOM 288 CB PHE A 20 -9.259 8.634 -6.869 1.00 20.34 C ATOM 289 CG PHE A 20 -8.878 7.212 -6.450 1.00 24.42 C ATOM 290 CD1 PHE A 20 -9.865 6.252 -6.208 1.00 50.05 C ATOM 291 CD2 PHE A 20 -7.540 6.816 -6.359 1.00 71.34 C ATOM 292 CE1 PHE A 20 -9.528 4.952 -5.897 1.00 14.34 C ATOM 293 CE2 PHE A 20 -7.206 5.516 -6.035 1.00 12.43 C ATOM 294 CZ PHE A 20 -8.199 4.583 -5.807 1.00 2.33 C ATOM 0 H PHE A 20 -8.108 8.716 -9.534 1.00 61.14 H new ATOM 0 HA PHE A 20 -10.765 8.138 -8.327 1.00 41.25 H new ATOM 0 HB2 PHE A 20 -8.381 9.276 -6.800 1.00 20.34 H new ATOM 0 HB3 PHE A 20 -9.998 9.028 -6.171 1.00 20.34 H new ATOM 0 HD1 PHE A 20 -10.906 6.533 -6.266 1.00 50.05 H new ATOM 0 HD2 PHE A 20 -6.757 7.537 -6.545 1.00 71.34 H new ATOM 0 HE1 PHE A 20 -10.304 4.221 -5.723 1.00 14.34 H new ATOM 0 HE2 PHE A 20 -6.168 5.228 -5.960 1.00 12.43 H new ATOM 0 HZ PHE A 20 -7.937 3.565 -5.558 1.00 2.33 H new ATOM 304 N ASP A 21 -11.441 10.523 -8.681 1.00 23.34 N ATOM 305 CA ASP A 21 -11.919 11.862 -9.073 1.00 54.33 C ATOM 306 C ASP A 21 -11.570 12.898 -7.982 1.00 22.31 C ATOM 307 O ASP A 21 -12.381 13.208 -7.096 1.00 23.34 O ATOM 308 CB ASP A 21 -13.440 11.823 -9.349 1.00 70.12 C ATOM 309 CG ASP A 21 -13.809 10.824 -10.455 1.00 43.42 C ATOM 310 OD1 ASP A 21 -13.500 11.094 -11.642 1.00 11.33 O ATOM 311 OD2 ASP A 21 -14.382 9.758 -10.150 1.00 31.21 O ATOM 0 H ASP A 21 -12.184 9.902 -8.361 1.00 23.34 H new ATOM 0 HA ASP A 21 -11.417 12.166 -9.992 1.00 54.33 H new ATOM 0 HB2 ASP A 21 -13.966 11.557 -8.432 1.00 70.12 H new ATOM 0 HB3 ASP A 21 -13.780 12.818 -9.634 1.00 70.12 H new ATOM 316 N ALA A 22 -10.332 13.399 -8.075 1.00 64.25 N ATOM 317 CA ALA A 22 -9.726 14.336 -7.110 1.00 54.12 C ATOM 318 C ALA A 22 -8.354 14.804 -7.640 1.00 51.32 C ATOM 319 O ALA A 22 -7.862 14.285 -8.649 1.00 0.23 O ATOM 320 CB ALA A 22 -9.568 13.664 -5.724 1.00 23.13 C ATOM 0 H ALA A 22 -9.704 13.160 -8.843 1.00 64.25 H new ATOM 0 HA ALA A 22 -10.380 15.200 -6.995 1.00 54.12 H new ATOM 0 HB1 ALA A 22 -9.119 14.371 -5.026 1.00 23.13 H new ATOM 0 HB2 ALA A 22 -10.547 13.360 -5.353 1.00 23.13 H new ATOM 0 HB3 ALA A 22 -8.926 12.788 -5.816 1.00 23.13 H new ATOM 326 N ASP A 23 -7.722 15.772 -6.952 1.00 73.33 N ATOM 327 CA ASP A 23 -6.360 16.227 -7.314 1.00 21.24 C ATOM 328 C ASP A 23 -5.296 15.378 -6.585 1.00 71.33 C ATOM 329 O ASP A 23 -5.615 14.556 -5.710 1.00 74.51 O ATOM 330 CB ASP A 23 -6.165 17.740 -7.021 1.00 71.11 C ATOM 331 CG ASP A 23 -6.363 18.102 -5.543 1.00 35.23 C ATOM 332 OD1 ASP A 23 -7.517 18.344 -5.132 1.00 11.12 O ATOM 333 OD2 ASP A 23 -5.370 18.134 -4.783 1.00 4.43 O ATOM 0 H ASP A 23 -8.125 16.253 -6.148 1.00 73.33 H new ATOM 0 HA ASP A 23 -6.235 16.088 -8.388 1.00 21.24 H new ATOM 0 HB2 ASP A 23 -5.162 18.037 -7.329 1.00 71.11 H new ATOM 0 HB3 ASP A 23 -6.867 18.314 -7.626 1.00 71.11 H new ATOM 338 N VAL A 24 -4.033 15.611 -6.956 1.00 32.51 N ATOM 339 CA VAL A 24 -2.874 14.828 -6.488 1.00 51.22 C ATOM 340 C VAL A 24 -2.659 14.955 -4.960 1.00 54.35 C ATOM 341 O VAL A 24 -2.381 13.966 -4.291 1.00 33.03 O ATOM 342 CB VAL A 24 -1.593 15.264 -7.283 1.00 14.25 C ATOM 343 CG1 VAL A 24 -0.334 14.487 -6.852 1.00 11.14 C ATOM 344 CG2 VAL A 24 -1.821 15.099 -8.797 1.00 5.42 C ATOM 0 H VAL A 24 -3.778 16.360 -7.600 1.00 32.51 H new ATOM 0 HA VAL A 24 -3.074 13.774 -6.681 1.00 51.22 H new ATOM 0 HB VAL A 24 -1.419 16.315 -7.050 1.00 14.25 H new ATOM 0 HG11 VAL A 24 0.522 14.829 -7.434 1.00 11.14 H new ATOM 0 HG12 VAL A 24 -0.145 14.660 -5.793 1.00 11.14 H new ATOM 0 HG13 VAL A 24 -0.487 13.422 -7.024 1.00 11.14 H new ATOM 0 HG21 VAL A 24 -0.924 15.405 -9.336 1.00 5.42 H new ATOM 0 HG22 VAL A 24 -2.040 14.055 -9.020 1.00 5.42 H new ATOM 0 HG23 VAL A 24 -2.661 15.720 -9.108 1.00 5.42 H new ATOM 354 N LYS A 25 -2.834 16.174 -4.420 1.00 51.31 N ATOM 355 CA LYS A 25 -2.732 16.440 -2.961 1.00 11.55 C ATOM 356 C LYS A 25 -3.910 15.823 -2.164 1.00 72.55 C ATOM 357 O LYS A 25 -3.741 15.433 -1.004 1.00 62.04 O ATOM 358 CB LYS A 25 -2.637 17.980 -2.684 1.00 43.44 C ATOM 359 CG LYS A 25 -1.212 18.602 -2.821 1.00 44.42 C ATOM 360 CD LYS A 25 -0.436 18.710 -1.469 1.00 25.31 C ATOM 361 CE LYS A 25 -0.166 17.358 -0.782 1.00 64.11 C ATOM 362 NZ LYS A 25 0.489 17.512 0.541 1.00 21.31 N ATOM 0 H LYS A 25 -3.049 17.003 -4.973 1.00 51.31 H new ATOM 0 HA LYS A 25 -1.818 15.957 -2.615 1.00 11.55 H new ATOM 0 HB2 LYS A 25 -3.307 18.497 -3.371 1.00 43.44 H new ATOM 0 HB3 LYS A 25 -3.003 18.173 -1.676 1.00 43.44 H new ATOM 0 HG2 LYS A 25 -0.628 17.999 -3.517 1.00 44.42 H new ATOM 0 HG3 LYS A 25 -1.301 19.597 -3.258 1.00 44.42 H new ATOM 0 HD2 LYS A 25 0.516 19.209 -1.649 1.00 25.31 H new ATOM 0 HD3 LYS A 25 -1.004 19.343 -0.787 1.00 25.31 H new ATOM 0 HE2 LYS A 25 -1.108 16.823 -0.657 1.00 64.11 H new ATOM 0 HE3 LYS A 25 0.465 16.746 -1.427 1.00 64.11 H new ATOM 0 HZ1 LYS A 25 0.276 16.683 1.132 1.00 21.31 H new ATOM 0 HZ2 LYS A 25 1.518 17.590 0.412 1.00 21.31 H new ATOM 0 HZ3 LYS A 25 0.132 18.371 1.007 1.00 21.31 H new ATOM 376 N ARG A 26 -5.089 15.746 -2.802 1.00 61.03 N ATOM 377 CA ARG A 26 -6.323 15.193 -2.193 1.00 1.45 C ATOM 378 C ARG A 26 -6.147 13.669 -1.943 1.00 23.53 C ATOM 379 O ARG A 26 -6.501 13.154 -0.880 1.00 63.22 O ATOM 380 CB ARG A 26 -7.533 15.494 -3.139 1.00 65.00 C ATOM 381 CG ARG A 26 -8.908 15.743 -2.457 1.00 71.15 C ATOM 382 CD ARG A 26 -9.521 14.509 -1.766 1.00 51.41 C ATOM 383 NE ARG A 26 -10.875 14.800 -1.252 1.00 62.31 N ATOM 384 CZ ARG A 26 -11.434 14.265 -0.189 1.00 55.04 C ATOM 385 NH1 ARG A 26 -10.802 13.422 0.569 1.00 44.24 N ATOM 386 NH2 ARG A 26 -12.640 14.604 0.118 1.00 24.22 N ATOM 0 H ARG A 26 -5.220 16.066 -3.762 1.00 61.03 H new ATOM 0 HA ARG A 26 -6.517 15.662 -1.228 1.00 1.45 H new ATOM 0 HB2 ARG A 26 -7.287 16.371 -3.738 1.00 65.00 H new ATOM 0 HB3 ARG A 26 -7.642 14.657 -3.829 1.00 65.00 H new ATOM 0 HG2 ARG A 26 -8.793 16.536 -1.718 1.00 71.15 H new ATOM 0 HG3 ARG A 26 -9.609 16.107 -3.208 1.00 71.15 H new ATOM 0 HD2 ARG A 26 -9.568 13.680 -2.472 1.00 51.41 H new ATOM 0 HD3 ARG A 26 -8.878 14.192 -0.945 1.00 51.41 H new ATOM 0 HE ARG A 26 -11.429 15.481 -1.771 1.00 62.31 H new ATOM 0 HH11 ARG A 26 -9.843 13.156 0.347 1.00 44.24 H new ATOM 0 HH12 ARG A 26 -11.265 13.025 1.387 1.00 44.24 H new ATOM 0 HH21 ARG A 26 -13.144 15.277 -0.460 1.00 24.22 H new ATOM 0 HH22 ARG A 26 -13.090 14.199 0.939 1.00 24.22 H new ATOM 400 N VAL A 27 -5.573 12.972 -2.946 1.00 73.41 N ATOM 401 CA VAL A 27 -5.261 11.525 -2.862 1.00 64.13 C ATOM 402 C VAL A 27 -3.970 11.276 -2.021 1.00 64.52 C ATOM 403 O VAL A 27 -3.837 10.252 -1.372 1.00 11.20 O ATOM 404 CB VAL A 27 -5.125 10.872 -4.295 1.00 14.13 C ATOM 405 CG1 VAL A 27 -5.000 9.322 -4.210 1.00 54.05 C ATOM 406 CG2 VAL A 27 -6.310 11.279 -5.216 1.00 63.15 C ATOM 0 H VAL A 27 -5.312 13.394 -3.837 1.00 73.41 H new ATOM 0 HA VAL A 27 -6.098 11.044 -2.356 1.00 64.13 H new ATOM 0 HB VAL A 27 -4.205 11.256 -4.737 1.00 14.13 H new ATOM 0 HG11 VAL A 27 -4.908 8.909 -5.214 1.00 54.05 H new ATOM 0 HG12 VAL A 27 -4.117 9.060 -3.628 1.00 54.05 H new ATOM 0 HG13 VAL A 27 -5.887 8.911 -3.728 1.00 54.05 H new ATOM 0 HG21 VAL A 27 -6.187 10.814 -6.194 1.00 63.15 H new ATOM 0 HG22 VAL A 27 -7.248 10.946 -4.771 1.00 63.15 H new ATOM 0 HG23 VAL A 27 -6.327 12.363 -5.329 1.00 63.15 H new ATOM 416 N TRP A 28 -3.015 12.222 -2.057 1.00 63.15 N ATOM 417 CA TRP A 28 -1.761 12.146 -1.243 1.00 43.24 C ATOM 418 C TRP A 28 -2.049 12.218 0.273 1.00 52.33 C ATOM 419 O TRP A 28 -1.334 11.608 1.065 1.00 4.34 O ATOM 420 CB TRP A 28 -0.796 13.281 -1.664 1.00 32.43 C ATOM 421 CG TRP A 28 0.577 13.267 -1.015 1.00 64.04 C ATOM 422 CD1 TRP A 28 1.026 14.078 -0.006 1.00 71.30 C ATOM 423 CD2 TRP A 28 1.687 12.410 -1.350 1.00 52.42 C ATOM 424 NE1 TRP A 28 2.335 13.801 0.277 1.00 1.05 N ATOM 425 CE2 TRP A 28 2.762 12.782 -0.531 1.00 73.33 C ATOM 426 CE3 TRP A 28 1.874 11.378 -2.274 1.00 42.21 C ATOM 427 CZ2 TRP A 28 4.007 12.162 -0.610 1.00 10.34 C ATOM 428 CZ3 TRP A 28 3.103 10.763 -2.346 1.00 1.12 C ATOM 429 CH2 TRP A 28 4.158 11.160 -1.518 1.00 65.32 C ATOM 0 H TRP A 28 -3.077 13.057 -2.640 1.00 63.15 H new ATOM 0 HA TRP A 28 -1.295 11.180 -1.436 1.00 43.24 H new ATOM 0 HB2 TRP A 28 -0.665 13.236 -2.745 1.00 32.43 H new ATOM 0 HB3 TRP A 28 -1.271 14.236 -1.440 1.00 32.43 H new ATOM 0 HD1 TRP A 28 0.432 14.828 0.494 1.00 71.30 H new ATOM 0 HE1 TRP A 28 2.902 14.278 0.978 1.00 1.05 H new ATOM 0 HE3 TRP A 28 1.067 11.068 -2.921 1.00 42.21 H new ATOM 0 HZ2 TRP A 28 4.824 12.466 0.027 1.00 10.34 H new ATOM 0 HZ3 TRP A 28 3.255 9.961 -3.053 1.00 1.12 H new ATOM 0 HH2 TRP A 28 5.112 10.661 -1.601 1.00 65.32 H new ATOM 440 N ALA A 29 -3.102 12.966 0.654 1.00 23.02 N ATOM 441 CA ALA A 29 -3.504 13.158 2.071 1.00 10.53 C ATOM 442 C ALA A 29 -3.850 11.823 2.796 1.00 63.10 C ATOM 443 O ALA A 29 -3.629 11.697 4.007 1.00 21.54 O ATOM 444 CB ALA A 29 -4.684 14.135 2.144 1.00 51.33 C ATOM 0 H ALA A 29 -3.702 13.457 -0.009 1.00 23.02 H new ATOM 0 HA ALA A 29 -2.645 13.574 2.597 1.00 10.53 H new ATOM 0 HB1 ALA A 29 -4.977 14.274 3.185 1.00 51.33 H new ATOM 0 HB2 ALA A 29 -4.389 15.094 1.719 1.00 51.33 H new ATOM 0 HB3 ALA A 29 -5.526 13.732 1.581 1.00 51.33 H new ATOM 450 N ILE A 30 -4.372 10.830 2.037 1.00 31.31 N ATOM 451 CA ILE A 30 -4.714 9.487 2.592 1.00 33.11 C ATOM 452 C ILE A 30 -3.436 8.645 2.870 1.00 24.03 C ATOM 453 O ILE A 30 -3.497 7.643 3.552 1.00 62.42 O ATOM 454 CB ILE A 30 -5.695 8.681 1.651 1.00 11.43 C ATOM 455 CG1 ILE A 30 -4.933 8.062 0.434 1.00 43.02 C ATOM 456 CG2 ILE A 30 -6.870 9.578 1.190 1.00 2.31 C ATOM 457 CD1 ILE A 30 -5.787 7.364 -0.599 1.00 30.32 C ATOM 0 H ILE A 30 -4.567 10.928 1.041 1.00 31.31 H new ATOM 0 HA ILE A 30 -5.229 9.669 3.536 1.00 33.11 H new ATOM 0 HB ILE A 30 -6.112 7.853 2.225 1.00 11.43 H new ATOM 0 HG12 ILE A 30 -4.375 8.856 -0.062 1.00 43.02 H new ATOM 0 HG13 ILE A 30 -4.202 7.348 0.814 1.00 43.02 H new ATOM 0 HG21 ILE A 30 -7.534 9.004 0.543 1.00 2.31 H new ATOM 0 HG22 ILE A 30 -7.425 9.927 2.061 1.00 2.31 H new ATOM 0 HG23 ILE A 30 -6.480 10.435 0.641 1.00 2.31 H new ATOM 0 HD11 ILE A 30 -5.151 6.975 -1.394 1.00 30.32 H new ATOM 0 HD12 ILE A 30 -6.325 6.541 -0.130 1.00 30.32 H new ATOM 0 HD13 ILE A 30 -6.501 8.072 -1.019 1.00 30.32 H new ATOM 469 N TRP A 31 -2.300 9.038 2.270 1.00 75.31 N ATOM 470 CA TRP A 31 -0.969 8.423 2.539 1.00 44.12 C ATOM 471 C TRP A 31 -0.181 9.242 3.577 1.00 73.22 C ATOM 472 O TRP A 31 0.603 8.697 4.356 1.00 51.21 O ATOM 473 CB TRP A 31 -0.161 8.337 1.217 1.00 32.55 C ATOM 474 CG TRP A 31 -0.775 7.405 0.202 1.00 63.44 C ATOM 475 CD1 TRP A 31 -1.530 7.734 -0.898 1.00 1.42 C ATOM 476 CD2 TRP A 31 -0.690 5.974 0.213 1.00 61.15 C ATOM 477 NE1 TRP A 31 -1.915 6.594 -1.556 1.00 32.12 N ATOM 478 CE2 TRP A 31 -1.407 5.503 -0.896 1.00 73.11 C ATOM 479 CE3 TRP A 31 -0.072 5.046 1.063 1.00 41.15 C ATOM 480 CZ2 TRP A 31 -1.525 4.149 -1.180 1.00 71.45 C ATOM 481 CZ3 TRP A 31 -0.187 3.702 0.778 1.00 63.50 C ATOM 482 CH2 TRP A 31 -0.905 3.263 -0.337 1.00 54.10 C ATOM 0 H TRP A 31 -2.268 9.791 1.583 1.00 75.31 H new ATOM 0 HA TRP A 31 -1.126 7.422 2.942 1.00 44.12 H new ATOM 0 HB2 TRP A 31 -0.081 9.334 0.783 1.00 32.55 H new ATOM 0 HB3 TRP A 31 0.853 8.004 1.440 1.00 32.55 H new ATOM 0 HD1 TRP A 31 -1.782 8.740 -1.199 1.00 1.42 H new ATOM 0 HE1 TRP A 31 -2.487 6.562 -2.400 1.00 32.12 H new ATOM 0 HE3 TRP A 31 0.485 5.378 1.927 1.00 41.15 H new ATOM 0 HZ2 TRP A 31 -2.086 3.805 -2.036 1.00 71.45 H new ATOM 0 HZ3 TRP A 31 0.285 2.978 1.426 1.00 63.50 H new ATOM 0 HH2 TRP A 31 -0.973 2.204 -0.539 1.00 54.10 H new ATOM 493 N GLU A 32 -0.421 10.557 3.558 1.00 52.14 N ATOM 494 CA GLU A 32 0.289 11.555 4.378 1.00 40.25 C ATOM 495 C GLU A 32 -0.115 11.465 5.868 1.00 44.33 C ATOM 496 O GLU A 32 0.732 11.578 6.764 1.00 70.20 O ATOM 497 CB GLU A 32 -0.029 12.960 3.796 1.00 73.32 C ATOM 498 CG GLU A 32 0.673 14.147 4.474 1.00 15.32 C ATOM 499 CD GLU A 32 0.290 15.490 3.826 1.00 54.41 C ATOM 500 OE1 GLU A 32 -0.747 16.072 4.214 1.00 21.43 O ATOM 501 OE2 GLU A 32 1.010 15.958 2.909 1.00 60.03 O ATOM 0 H GLU A 32 -1.133 10.972 2.957 1.00 52.14 H new ATOM 0 HA GLU A 32 1.361 11.364 4.341 1.00 40.25 H new ATOM 0 HB2 GLU A 32 0.237 12.962 2.739 1.00 73.32 H new ATOM 0 HB3 GLU A 32 -1.106 13.120 3.854 1.00 73.32 H new ATOM 0 HG2 GLU A 32 0.411 14.167 5.532 1.00 15.32 H new ATOM 0 HG3 GLU A 32 1.753 14.011 4.416 1.00 15.32 H new ATOM 508 N ASP A 33 -1.419 11.254 6.111 1.00 42.41 N ATOM 509 CA ASP A 33 -1.989 11.173 7.470 1.00 11.22 C ATOM 510 C ASP A 33 -2.245 9.690 7.880 1.00 14.01 C ATOM 511 O ASP A 33 -2.851 8.939 7.106 1.00 24.11 O ATOM 512 CB ASP A 33 -3.305 11.979 7.507 1.00 74.12 C ATOM 513 CG ASP A 33 -3.875 12.152 8.923 1.00 22.12 C ATOM 514 OD1 ASP A 33 -4.634 11.278 9.394 1.00 62.33 O ATOM 515 OD2 ASP A 33 -3.550 13.156 9.581 1.00 11.42 O ATOM 0 H ASP A 33 -2.110 11.134 5.371 1.00 42.41 H new ATOM 0 HA ASP A 33 -1.280 11.593 8.183 1.00 11.22 H new ATOM 0 HB2 ASP A 33 -3.132 12.963 7.070 1.00 74.12 H new ATOM 0 HB3 ASP A 33 -4.046 11.479 6.884 1.00 74.12 H new ATOM 520 N PRO A 34 -1.787 9.255 9.109 1.00 50.31 N ATOM 521 CA PRO A 34 -2.017 7.872 9.633 1.00 52.10 C ATOM 522 C PRO A 34 -3.514 7.464 9.709 1.00 20.24 C ATOM 523 O PRO A 34 -3.866 6.337 9.360 1.00 45.02 O ATOM 524 CB PRO A 34 -1.384 7.910 11.058 1.00 62.13 C ATOM 525 CG PRO A 34 -1.240 9.372 11.375 1.00 12.24 C ATOM 526 CD PRO A 34 -0.965 10.048 10.059 1.00 63.44 C ATOM 0 HA PRO A 34 -1.578 7.128 8.968 1.00 52.10 H new ATOM 0 HB2 PRO A 34 -2.020 7.408 11.787 1.00 62.13 H new ATOM 0 HB3 PRO A 34 -0.419 7.404 11.076 1.00 62.13 H new ATOM 0 HG2 PRO A 34 -2.147 9.764 11.835 1.00 12.24 H new ATOM 0 HG3 PRO A 34 -0.426 9.542 12.080 1.00 12.24 H new ATOM 0 HD2 PRO A 34 -1.260 11.097 10.073 1.00 63.44 H new ATOM 0 HD3 PRO A 34 0.094 10.018 9.802 1.00 63.44 H new ATOM 534 N ARG A 35 -4.379 8.395 10.165 1.00 74.23 N ATOM 535 CA ARG A 35 -5.827 8.116 10.381 1.00 33.43 C ATOM 536 C ARG A 35 -6.580 8.030 9.038 1.00 0.21 C ATOM 537 O ARG A 35 -7.451 7.177 8.863 1.00 71.34 O ATOM 538 CB ARG A 35 -6.508 9.170 11.302 1.00 2.22 C ATOM 539 CG ARG A 35 -6.079 9.137 12.793 1.00 53.01 C ATOM 540 CD ARG A 35 -4.636 9.622 13.026 1.00 15.31 C ATOM 541 NE ARG A 35 -4.410 10.951 12.426 1.00 61.11 N ATOM 542 CZ ARG A 35 -4.497 12.101 13.052 1.00 72.34 C ATOM 543 NH1 ARG A 35 -4.757 12.173 14.323 1.00 40.32 N ATOM 544 NH2 ARG A 35 -4.335 13.190 12.391 1.00 72.52 N ATOM 0 H ARG A 35 -4.105 9.351 10.393 1.00 74.23 H new ATOM 0 HA ARG A 35 -5.882 7.152 10.887 1.00 33.43 H new ATOM 0 HB2 ARG A 35 -6.298 10.163 10.904 1.00 2.22 H new ATOM 0 HB3 ARG A 35 -7.587 9.028 11.250 1.00 2.22 H new ATOM 0 HG2 ARG A 35 -6.761 9.758 13.373 1.00 53.01 H new ATOM 0 HG3 ARG A 35 -6.177 8.119 13.169 1.00 53.01 H new ATOM 0 HD2 ARG A 35 -4.434 9.665 14.096 1.00 15.31 H new ATOM 0 HD3 ARG A 35 -3.936 8.904 12.598 1.00 15.31 H new ATOM 0 HE ARG A 35 -4.164 10.978 11.436 1.00 61.11 H new ATOM 0 HH11 ARG A 35 -4.900 11.320 14.863 1.00 40.32 H new ATOM 0 HH12 ARG A 35 -4.818 13.083 14.780 1.00 40.32 H new ATOM 0 HH21 ARG A 35 -4.141 13.155 11.390 1.00 72.52 H new ATOM 0 HH22 ARG A 35 -4.400 14.090 12.867 1.00 72.52 H new ATOM 558 N GLN A 36 -6.234 8.934 8.101 1.00 32.53 N ATOM 559 CA GLN A 36 -6.763 8.912 6.714 1.00 11.14 C ATOM 560 C GLN A 36 -6.268 7.674 5.931 1.00 22.14 C ATOM 561 O GLN A 36 -6.907 7.260 4.965 1.00 1.35 O ATOM 562 CB GLN A 36 -6.374 10.216 5.967 1.00 12.02 C ATOM 563 CG GLN A 36 -7.105 11.479 6.463 1.00 33.24 C ATOM 564 CD GLN A 36 -6.667 12.745 5.722 1.00 52.53 C ATOM 565 OE1 GLN A 36 -5.802 13.484 6.167 1.00 70.54 O ATOM 566 NE2 GLN A 36 -7.222 12.969 4.549 1.00 70.42 N ATOM 0 H GLN A 36 -5.583 9.699 8.278 1.00 32.53 H new ATOM 0 HA GLN A 36 -7.849 8.849 6.777 1.00 11.14 H new ATOM 0 HB2 GLN A 36 -5.300 10.370 6.067 1.00 12.02 H new ATOM 0 HB3 GLN A 36 -6.580 10.086 4.904 1.00 12.02 H new ATOM 0 HG2 GLN A 36 -8.180 11.344 6.339 1.00 33.24 H new ATOM 0 HG3 GLN A 36 -6.920 11.605 7.530 1.00 33.24 H new ATOM 0 HE21 GLN A 36 -7.943 12.339 4.197 1.00 70.42 H new ATOM 0 HE22 GLN A 36 -6.931 13.773 3.992 1.00 70.42 H new ATOM 575 N LEU A 37 -5.119 7.112 6.345 1.00 24.53 N ATOM 576 CA LEU A 37 -4.573 5.868 5.761 1.00 74.33 C ATOM 577 C LEU A 37 -5.329 4.624 6.276 1.00 51.12 C ATOM 578 O LEU A 37 -5.858 3.854 5.483 1.00 55.14 O ATOM 579 CB LEU A 37 -3.058 5.786 6.070 1.00 75.03 C ATOM 580 CG LEU A 37 -2.279 4.528 5.563 1.00 43.24 C ATOM 581 CD1 LEU A 37 -2.465 4.263 4.052 1.00 41.23 C ATOM 582 CD2 LEU A 37 -0.792 4.674 5.902 1.00 40.54 C ATOM 0 H LEU A 37 -4.543 7.503 7.090 1.00 24.53 H new ATOM 0 HA LEU A 37 -4.712 5.888 4.680 1.00 74.33 H new ATOM 0 HB2 LEU A 37 -2.581 6.669 5.645 1.00 75.03 H new ATOM 0 HB3 LEU A 37 -2.933 5.845 7.151 1.00 75.03 H new ATOM 0 HG LEU A 37 -2.698 3.663 6.077 1.00 43.24 H new ATOM 0 HD11 LEU A 37 -1.899 3.377 3.766 1.00 41.23 H new ATOM 0 HD12 LEU A 37 -3.522 4.103 3.838 1.00 41.23 H new ATOM 0 HD13 LEU A 37 -2.106 5.122 3.485 1.00 41.23 H new ATOM 0 HD21 LEU A 37 -0.250 3.797 5.548 1.00 40.54 H new ATOM 0 HD22 LEU A 37 -0.394 5.566 5.418 1.00 40.54 H new ATOM 0 HD23 LEU A 37 -0.672 4.763 6.982 1.00 40.54 H new ATOM 594 N GLU A 38 -5.442 4.487 7.616 1.00 11.52 N ATOM 595 CA GLU A 38 -6.134 3.330 8.264 1.00 75.43 C ATOM 596 C GLU A 38 -7.672 3.391 8.080 1.00 55.02 C ATOM 597 O GLU A 38 -8.393 2.432 8.382 1.00 21.21 O ATOM 598 CB GLU A 38 -5.767 3.268 9.767 1.00 21.24 C ATOM 599 CG GLU A 38 -6.278 4.457 10.600 1.00 4.33 C ATOM 600 CD GLU A 38 -5.710 4.489 12.026 1.00 61.23 C ATOM 601 OE1 GLU A 38 -4.569 4.978 12.212 1.00 41.41 O ATOM 602 OE2 GLU A 38 -6.392 4.022 12.966 1.00 10.01 O ATOM 0 H GLU A 38 -5.064 5.163 8.280 1.00 11.52 H new ATOM 0 HA GLU A 38 -5.790 2.421 7.771 1.00 75.43 H new ATOM 0 HB2 GLU A 38 -6.169 2.347 10.188 1.00 21.24 H new ATOM 0 HB3 GLU A 38 -4.682 3.215 9.861 1.00 21.24 H new ATOM 0 HG2 GLU A 38 -6.018 5.386 10.092 1.00 4.33 H new ATOM 0 HG3 GLU A 38 -7.366 4.415 10.651 1.00 4.33 H new ATOM 609 N ARG A 39 -8.146 4.549 7.582 1.00 32.44 N ATOM 610 CA ARG A 39 -9.535 4.776 7.144 1.00 71.25 C ATOM 611 C ARG A 39 -9.954 3.772 6.036 1.00 10.22 C ATOM 612 O ARG A 39 -11.120 3.362 5.957 1.00 12.44 O ATOM 613 CB ARG A 39 -9.619 6.242 6.633 1.00 55.33 C ATOM 614 CG ARG A 39 -10.962 6.732 6.054 1.00 13.12 C ATOM 615 CD ARG A 39 -12.123 6.773 7.067 1.00 61.12 C ATOM 616 NE ARG A 39 -12.775 5.460 7.235 1.00 71.01 N ATOM 617 CZ ARG A 39 -14.071 5.237 7.151 1.00 1.42 C ATOM 618 NH1 ARG A 39 -14.906 6.203 6.923 1.00 24.42 N ATOM 619 NH2 ARG A 39 -14.522 4.034 7.282 1.00 11.12 N ATOM 0 H ARG A 39 -7.557 5.374 7.471 1.00 32.44 H new ATOM 0 HA ARG A 39 -10.224 4.617 7.974 1.00 71.25 H new ATOM 0 HB2 ARG A 39 -9.352 6.900 7.460 1.00 55.33 H new ATOM 0 HB3 ARG A 39 -8.857 6.372 5.864 1.00 55.33 H new ATOM 0 HG2 ARG A 39 -10.822 7.731 5.642 1.00 13.12 H new ATOM 0 HG3 ARG A 39 -11.244 6.082 5.225 1.00 13.12 H new ATOM 0 HD2 ARG A 39 -11.747 7.114 8.032 1.00 61.12 H new ATOM 0 HD3 ARG A 39 -12.863 7.502 6.737 1.00 61.12 H new ATOM 0 HE ARG A 39 -12.174 4.660 7.432 1.00 71.01 H new ATOM 0 HH11 ARG A 39 -14.563 7.156 6.805 1.00 24.42 H new ATOM 0 HH12 ARG A 39 -15.906 6.009 6.862 1.00 24.42 H new ATOM 0 HH21 ARG A 39 -13.876 3.263 7.450 1.00 11.12 H new ATOM 0 HH22 ARG A 39 -15.524 3.855 7.218 1.00 11.12 H new ATOM 633 N TRP A 40 -8.978 3.376 5.199 1.00 1.30 N ATOM 634 CA TRP A 40 -9.198 2.430 4.081 1.00 54.43 C ATOM 635 C TRP A 40 -8.182 1.260 4.082 1.00 34.01 C ATOM 636 O TRP A 40 -8.388 0.286 3.366 1.00 32.03 O ATOM 637 CB TRP A 40 -9.143 3.197 2.733 1.00 55.43 C ATOM 638 CG TRP A 40 -7.819 3.887 2.467 1.00 11.31 C ATOM 639 CD1 TRP A 40 -7.430 5.136 2.875 1.00 2.23 C ATOM 640 CD2 TRP A 40 -6.713 3.358 1.724 1.00 74.11 C ATOM 641 NE1 TRP A 40 -6.151 5.392 2.450 1.00 65.42 N ATOM 642 CE2 TRP A 40 -5.701 4.324 1.728 1.00 22.32 C ATOM 643 CE3 TRP A 40 -6.492 2.155 1.058 1.00 64.13 C ATOM 644 CZ2 TRP A 40 -4.485 4.122 1.088 1.00 3.55 C ATOM 645 CZ3 TRP A 40 -5.293 1.954 0.422 1.00 71.03 C ATOM 646 CH2 TRP A 40 -4.305 2.932 0.440 1.00 53.30 C ATOM 0 H TRP A 40 -8.014 3.700 5.275 1.00 1.30 H new ATOM 0 HA TRP A 40 -10.185 1.986 4.214 1.00 54.43 H new ATOM 0 HB2 TRP A 40 -9.346 2.498 1.921 1.00 55.43 H new ATOM 0 HB3 TRP A 40 -9.938 3.942 2.719 1.00 55.43 H new ATOM 0 HD1 TRP A 40 -8.041 5.819 3.447 1.00 2.23 H new ATOM 0 HE1 TRP A 40 -5.622 6.243 2.642 1.00 65.42 H new ATOM 0 HE3 TRP A 40 -7.254 1.390 1.042 1.00 64.13 H new ATOM 0 HZ2 TRP A 40 -3.712 4.876 1.102 1.00 3.55 H new ATOM 0 HZ3 TRP A 40 -5.115 1.025 -0.099 1.00 71.03 H new ATOM 0 HH2 TRP A 40 -3.372 2.747 -0.071 1.00 53.30 H new ATOM 657 N TRP A 41 -7.087 1.380 4.870 1.00 61.34 N ATOM 658 CA TRP A 41 -5.953 0.410 4.842 1.00 1.41 C ATOM 659 C TRP A 41 -6.389 -0.980 5.357 1.00 53.22 C ATOM 660 O TRP A 41 -6.753 -1.135 6.530 1.00 1.34 O ATOM 661 CB TRP A 41 -4.745 0.949 5.664 1.00 13.03 C ATOM 662 CG TRP A 41 -3.436 0.229 5.407 1.00 2.01 C ATOM 663 CD1 TRP A 41 -2.674 -0.484 6.296 1.00 12.43 C ATOM 664 CD2 TRP A 41 -2.740 0.160 4.153 1.00 15.41 C ATOM 665 NE1 TRP A 41 -1.554 -0.968 5.677 1.00 54.41 N ATOM 666 CE2 TRP A 41 -1.572 -0.588 4.364 1.00 32.41 C ATOM 667 CE3 TRP A 41 -2.988 0.671 2.878 1.00 4.22 C ATOM 668 CZ2 TRP A 41 -0.667 -0.848 3.343 1.00 34.22 C ATOM 669 CZ3 TRP A 41 -2.091 0.413 1.866 1.00 62.31 C ATOM 670 CH2 TRP A 41 -0.938 -0.334 2.102 1.00 33.12 C ATOM 0 H TRP A 41 -6.960 2.141 5.538 1.00 61.34 H new ATOM 0 HA TRP A 41 -5.639 0.296 3.804 1.00 1.41 H new ATOM 0 HB2 TRP A 41 -4.613 2.007 5.439 1.00 13.03 H new ATOM 0 HB3 TRP A 41 -4.983 0.876 6.725 1.00 13.03 H new ATOM 0 HD1 TRP A 41 -2.922 -0.641 7.335 1.00 12.43 H new ATOM 0 HE1 TRP A 41 -0.824 -1.523 6.123 1.00 54.41 H new ATOM 0 HE3 TRP A 41 -3.872 1.261 2.688 1.00 4.22 H new ATOM 0 HZ2 TRP A 41 0.221 -1.436 3.521 1.00 34.22 H new ATOM 0 HZ3 TRP A 41 -2.284 0.795 0.874 1.00 62.31 H new ATOM 0 HH2 TRP A 41 -0.246 -0.511 1.292 1.00 33.12 H new ATOM 681 N GLY A 42 -6.338 -1.977 4.456 1.00 1.40 N ATOM 682 CA GLY A 42 -6.885 -3.316 4.714 1.00 42.22 C ATOM 683 C GLY A 42 -8.329 -3.467 4.207 1.00 11.53 C ATOM 684 O GLY A 42 -9.019 -2.461 3.997 1.00 31.43 O ATOM 0 H GLY A 42 -5.917 -1.875 3.532 1.00 1.40 H new ATOM 0 HA2 GLY A 42 -6.254 -4.062 4.232 1.00 42.22 H new ATOM 0 HA3 GLY A 42 -6.856 -3.517 5.785 1.00 42.22 H new ATOM 688 N PRO A 43 -8.830 -4.724 3.991 1.00 1.42 N ATOM 689 CA PRO A 43 -10.220 -4.960 3.506 1.00 75.44 C ATOM 690 C PRO A 43 -11.304 -4.608 4.581 1.00 63.43 C ATOM 691 O PRO A 43 -10.966 -4.421 5.758 1.00 5.20 O ATOM 692 CB PRO A 43 -10.201 -6.478 3.162 1.00 33.24 C ATOM 693 CG PRO A 43 -9.175 -7.060 4.086 1.00 40.04 C ATOM 694 CD PRO A 43 -8.092 -6.002 4.207 1.00 0.43 C ATOM 0 HA PRO A 43 -10.490 -4.327 2.661 1.00 75.44 H new ATOM 0 HB2 PRO A 43 -11.179 -6.933 3.318 1.00 33.24 H new ATOM 0 HB3 PRO A 43 -9.935 -6.645 2.118 1.00 33.24 H new ATOM 0 HG2 PRO A 43 -9.609 -7.291 5.059 1.00 40.04 H new ATOM 0 HG3 PRO A 43 -8.771 -7.991 3.688 1.00 40.04 H new ATOM 0 HD2 PRO A 43 -7.612 -6.028 5.185 1.00 0.43 H new ATOM 0 HD3 PRO A 43 -7.308 -6.143 3.464 1.00 0.43 H new ATOM 702 N PRO A 44 -12.630 -4.498 4.192 1.00 41.22 N ATOM 703 CA PRO A 44 -13.757 -4.213 5.155 1.00 64.55 C ATOM 704 C PRO A 44 -13.809 -5.151 6.405 1.00 44.15 C ATOM 705 O PRO A 44 -14.399 -4.799 7.433 1.00 54.11 O ATOM 706 CB PRO A 44 -15.018 -4.408 4.269 1.00 71.32 C ATOM 707 CG PRO A 44 -14.559 -4.070 2.881 1.00 62.51 C ATOM 708 CD PRO A 44 -13.136 -4.586 2.787 1.00 52.33 C ATOM 0 HA PRO A 44 -13.650 -3.223 5.598 1.00 64.55 H new ATOM 0 HB2 PRO A 44 -15.389 -5.431 4.326 1.00 71.32 H new ATOM 0 HB3 PRO A 44 -15.831 -3.756 4.588 1.00 71.32 H new ATOM 0 HG2 PRO A 44 -15.197 -4.539 2.132 1.00 62.51 H new ATOM 0 HG3 PRO A 44 -14.599 -2.995 2.705 1.00 62.51 H new ATOM 0 HD2 PRO A 44 -13.106 -5.610 2.414 1.00 52.33 H new ATOM 0 HD3 PRO A 44 -12.536 -3.982 2.107 1.00 52.33 H new ATOM 716 N THR A 45 -13.199 -6.346 6.285 1.00 35.31 N ATOM 717 CA THR A 45 -13.134 -7.357 7.373 1.00 5.02 C ATOM 718 C THR A 45 -11.899 -7.162 8.297 1.00 33.14 C ATOM 719 O THR A 45 -11.931 -7.550 9.471 1.00 64.14 O ATOM 720 CB THR A 45 -13.117 -8.805 6.771 1.00 70.33 C ATOM 721 OG1 THR A 45 -12.039 -8.918 5.822 1.00 41.41 O ATOM 722 CG2 THR A 45 -14.452 -9.157 6.075 1.00 35.04 C ATOM 0 H THR A 45 -12.733 -6.644 5.428 1.00 35.31 H new ATOM 0 HA THR A 45 -14.026 -7.219 7.984 1.00 5.02 H new ATOM 0 HB THR A 45 -12.974 -9.505 7.594 1.00 70.33 H new ATOM 0 HG1 THR A 45 -12.027 -9.823 5.447 1.00 41.41 H new ATOM 0 HG21 THR A 45 -14.397 -10.168 5.672 1.00 35.04 H new ATOM 0 HG22 THR A 45 -15.266 -9.098 6.798 1.00 35.04 H new ATOM 0 HG23 THR A 45 -14.636 -8.453 5.263 1.00 35.04 H new ATOM 730 N TRP A 46 -10.808 -6.566 7.759 1.00 50.24 N ATOM 731 CA TRP A 46 -9.539 -6.319 8.512 1.00 13.24 C ATOM 732 C TRP A 46 -9.094 -4.822 8.405 1.00 25.13 C ATOM 733 O TRP A 46 -8.207 -4.492 7.604 1.00 42.32 O ATOM 734 CB TRP A 46 -8.398 -7.253 7.988 1.00 13.31 C ATOM 735 CG TRP A 46 -8.584 -8.730 8.274 1.00 64.30 C ATOM 736 CD1 TRP A 46 -9.505 -9.577 7.720 1.00 55.24 C ATOM 737 CD2 TRP A 46 -7.794 -9.537 9.159 1.00 52.34 C ATOM 738 NE1 TRP A 46 -9.371 -10.834 8.245 1.00 13.04 N ATOM 739 CE2 TRP A 46 -8.322 -10.842 9.119 1.00 61.20 C ATOM 740 CE3 TRP A 46 -6.706 -9.277 9.990 1.00 23.54 C ATOM 741 CZ2 TRP A 46 -7.800 -11.881 9.878 1.00 13.43 C ATOM 742 CZ3 TRP A 46 -6.181 -10.312 10.733 1.00 1.43 C ATOM 743 CH2 TRP A 46 -6.726 -11.600 10.674 1.00 72.01 C ATOM 0 H TRP A 46 -10.775 -6.241 6.793 1.00 50.24 H new ATOM 0 HA TRP A 46 -9.730 -6.544 9.561 1.00 13.24 H new ATOM 0 HB2 TRP A 46 -8.307 -7.118 6.910 1.00 13.31 H new ATOM 0 HB3 TRP A 46 -7.456 -6.930 8.431 1.00 13.31 H new ATOM 0 HD1 TRP A 46 -10.234 -9.294 6.975 1.00 55.24 H new ATOM 0 HE1 TRP A 46 -9.960 -11.636 8.020 1.00 13.04 H new ATOM 0 HE3 TRP A 46 -6.283 -8.285 10.050 1.00 23.54 H new ATOM 0 HZ2 TRP A 46 -8.226 -12.873 9.840 1.00 13.43 H new ATOM 0 HZ3 TRP A 46 -5.332 -10.126 11.374 1.00 1.43 H new ATOM 0 HH2 TRP A 46 -6.289 -12.387 11.270 1.00 72.01 H new ATOM 754 N PRO A 47 -9.735 -3.878 9.174 1.00 15.43 N ATOM 755 CA PRO A 47 -9.300 -2.454 9.225 1.00 60.30 C ATOM 756 C PRO A 47 -8.024 -2.246 10.094 1.00 75.32 C ATOM 757 O PRO A 47 -7.919 -2.786 11.206 1.00 21.35 O ATOM 758 CB PRO A 47 -10.532 -1.742 9.841 1.00 74.23 C ATOM 759 CG PRO A 47 -11.162 -2.783 10.725 1.00 10.42 C ATOM 760 CD PRO A 47 -10.946 -4.110 10.016 1.00 41.52 C ATOM 0 HA PRO A 47 -9.016 -2.068 8.246 1.00 60.30 H new ATOM 0 HB2 PRO A 47 -10.238 -0.861 10.412 1.00 74.23 H new ATOM 0 HB3 PRO A 47 -11.224 -1.405 9.069 1.00 74.23 H new ATOM 0 HG2 PRO A 47 -10.702 -2.788 11.713 1.00 10.42 H new ATOM 0 HG3 PRO A 47 -12.224 -2.584 10.869 1.00 10.42 H new ATOM 0 HD2 PRO A 47 -10.788 -4.921 10.727 1.00 41.52 H new ATOM 0 HD3 PRO A 47 -11.809 -4.382 9.408 1.00 41.52 H new ATOM 768 N ALA A 48 -7.061 -1.455 9.590 1.00 21.14 N ATOM 769 CA ALA A 48 -5.777 -1.206 10.289 1.00 65.32 C ATOM 770 C ALA A 48 -5.885 -0.112 11.384 1.00 54.42 C ATOM 771 O ALA A 48 -6.893 0.593 11.495 1.00 14.42 O ATOM 772 CB ALA A 48 -4.695 -0.840 9.266 1.00 54.32 C ATOM 0 H ALA A 48 -7.144 -0.972 8.695 1.00 21.14 H new ATOM 0 HA ALA A 48 -5.504 -2.128 10.803 1.00 65.32 H new ATOM 0 HB1 ALA A 48 -3.753 -0.658 9.783 1.00 54.32 H new ATOM 0 HB2 ALA A 48 -4.569 -1.661 8.560 1.00 54.32 H new ATOM 0 HB3 ALA A 48 -4.993 0.059 8.727 1.00 54.32 H new ATOM 778 N THR A 49 -4.823 -0.011 12.206 1.00 32.12 N ATOM 779 CA THR A 49 -4.643 1.062 13.212 1.00 55.43 C ATOM 780 C THR A 49 -3.141 1.363 13.370 1.00 30.11 C ATOM 781 O THR A 49 -2.368 0.474 13.747 1.00 31.13 O ATOM 782 CB THR A 49 -5.265 0.694 14.609 1.00 55.44 C ATOM 783 OG1 THR A 49 -6.683 0.503 14.473 1.00 44.14 O ATOM 784 CG2 THR A 49 -5.008 1.783 15.675 1.00 62.34 C ATOM 0 H THR A 49 -4.053 -0.680 12.192 1.00 32.12 H new ATOM 0 HA THR A 49 -5.173 1.944 12.851 1.00 55.43 H new ATOM 0 HB THR A 49 -4.781 -0.224 14.943 1.00 55.44 H new ATOM 0 HG1 THR A 49 -6.945 0.652 13.540 1.00 44.14 H new ATOM 0 HG21 THR A 49 -5.458 1.480 16.620 1.00 62.34 H new ATOM 0 HG22 THR A 49 -3.934 1.914 15.810 1.00 62.34 H new ATOM 0 HG23 THR A 49 -5.450 2.724 15.348 1.00 62.34 H new ATOM 792 N PHE A 50 -2.737 2.614 13.072 1.00 34.52 N ATOM 793 CA PHE A 50 -1.320 3.036 13.094 1.00 4.01 C ATOM 794 C PHE A 50 -0.902 3.592 14.477 1.00 34.13 C ATOM 795 O PHE A 50 -1.329 4.677 14.889 1.00 74.32 O ATOM 796 CB PHE A 50 -1.042 4.063 11.954 1.00 32.12 C ATOM 797 CG PHE A 50 -0.924 3.403 10.578 1.00 63.22 C ATOM 798 CD1 PHE A 50 -2.050 2.891 9.929 1.00 64.44 C ATOM 799 CD2 PHE A 50 0.319 3.256 9.956 1.00 74.02 C ATOM 800 CE1 PHE A 50 -1.937 2.249 8.711 1.00 72.53 C ATOM 801 CE2 PHE A 50 0.429 2.621 8.734 1.00 40.25 C ATOM 802 CZ PHE A 50 -0.699 2.115 8.114 1.00 4.50 C ATOM 0 H PHE A 50 -3.382 3.360 12.810 1.00 34.52 H new ATOM 0 HA PHE A 50 -0.705 2.153 12.916 1.00 4.01 H new ATOM 0 HB2 PHE A 50 -1.845 4.800 11.931 1.00 32.12 H new ATOM 0 HB3 PHE A 50 -0.121 4.602 12.174 1.00 32.12 H new ATOM 0 HD1 PHE A 50 -3.023 2.999 10.386 1.00 64.44 H new ATOM 0 HD2 PHE A 50 1.205 3.644 10.437 1.00 74.02 H new ATOM 0 HE1 PHE A 50 -2.816 1.852 8.226 1.00 72.53 H new ATOM 0 HE2 PHE A 50 1.396 2.520 8.263 1.00 40.25 H new ATOM 0 HZ PHE A 50 -0.611 1.614 7.161 1.00 4.50 H new ATOM 812 N GLU A 51 -0.082 2.794 15.187 1.00 10.22 N ATOM 813 CA GLU A 51 0.658 3.214 16.396 1.00 52.44 C ATOM 814 C GLU A 51 1.598 4.386 16.082 1.00 1.25 C ATOM 815 O GLU A 51 1.659 5.382 16.814 1.00 3.01 O ATOM 816 CB GLU A 51 1.494 2.012 16.919 1.00 64.30 C ATOM 817 CG GLU A 51 0.670 0.777 17.342 1.00 52.52 C ATOM 818 CD GLU A 51 -0.067 0.963 18.677 1.00 40.34 C ATOM 819 OE1 GLU A 51 0.579 0.836 19.741 1.00 33.11 O ATOM 820 OE2 GLU A 51 -1.281 1.256 18.674 1.00 44.03 O ATOM 0 H GLU A 51 0.089 1.821 14.933 1.00 10.22 H new ATOM 0 HA GLU A 51 -0.058 3.537 17.152 1.00 52.44 H new ATOM 0 HB2 GLU A 51 2.196 1.712 16.141 1.00 64.30 H new ATOM 0 HB3 GLU A 51 2.086 2.344 17.772 1.00 64.30 H new ATOM 0 HG2 GLU A 51 -0.057 0.550 16.562 1.00 52.52 H new ATOM 0 HG3 GLU A 51 1.334 -0.084 17.419 1.00 52.52 H new ATOM 827 N THR A 52 2.331 4.234 14.981 1.00 13.21 N ATOM 828 CA THR A 52 3.325 5.210 14.523 1.00 31.12 C ATOM 829 C THR A 52 3.224 5.356 12.993 1.00 41.34 C ATOM 830 O THR A 52 2.883 4.389 12.302 1.00 51.30 O ATOM 831 CB THR A 52 4.766 4.743 14.925 1.00 3.53 C ATOM 832 OG1 THR A 52 4.792 4.409 16.326 1.00 44.31 O ATOM 833 CG2 THR A 52 5.823 5.825 14.667 1.00 62.23 C ATOM 0 H THR A 52 2.252 3.420 14.372 1.00 13.21 H new ATOM 0 HA THR A 52 3.130 6.173 14.994 1.00 31.12 H new ATOM 0 HB THR A 52 5.005 3.876 14.309 1.00 3.53 H new ATOM 0 HG1 THR A 52 5.693 4.116 16.576 1.00 44.31 H new ATOM 0 HG21 THR A 52 6.804 5.453 14.962 1.00 62.23 H new ATOM 0 HG22 THR A 52 5.834 6.077 13.607 1.00 62.23 H new ATOM 0 HG23 THR A 52 5.583 6.715 15.249 1.00 62.23 H new ATOM 841 N HIS A 53 3.476 6.567 12.481 1.00 43.12 N ATOM 842 CA HIS A 53 3.529 6.837 11.034 1.00 61.14 C ATOM 843 C HIS A 53 4.410 8.084 10.779 1.00 32.34 C ATOM 844 O HIS A 53 3.932 9.221 10.824 1.00 13.35 O ATOM 845 CB HIS A 53 2.084 7.004 10.486 1.00 43.01 C ATOM 846 CG HIS A 53 1.960 7.181 8.992 1.00 24.22 C ATOM 847 ND1 HIS A 53 2.122 8.410 8.414 1.00 0.33 N ATOM 848 CD2 HIS A 53 1.641 6.284 8.021 1.00 65.03 C ATOM 849 CE1 HIS A 53 1.899 8.247 7.134 1.00 12.12 C ATOM 850 NE2 HIS A 53 1.601 6.979 6.842 1.00 40.11 N ATOM 0 H HIS A 53 3.650 7.390 13.057 1.00 43.12 H new ATOM 0 HA HIS A 53 3.983 6.001 10.501 1.00 61.14 H new ATOM 0 HB2 HIS A 53 1.502 6.130 10.778 1.00 43.01 H new ATOM 0 HB3 HIS A 53 1.629 7.866 10.973 1.00 43.01 H new ATOM 0 HD1 HIS A 53 2.368 9.280 8.886 1.00 0.33 H new ATOM 0 HD2 HIS A 53 1.455 5.228 8.154 1.00 65.03 H new ATOM 0 HE1 HIS A 53 1.950 9.041 6.404 1.00 12.12 H new ATOM 858 N GLU A 54 5.721 7.845 10.586 1.00 42.32 N ATOM 859 CA GLU A 54 6.719 8.907 10.327 1.00 1.51 C ATOM 860 C GLU A 54 6.799 9.196 8.825 1.00 3.44 C ATOM 861 O GLU A 54 7.529 8.510 8.105 1.00 4.53 O ATOM 862 CB GLU A 54 8.119 8.483 10.859 1.00 44.44 C ATOM 863 CG GLU A 54 8.141 8.050 12.331 1.00 4.03 C ATOM 864 CD GLU A 54 7.831 9.184 13.326 1.00 31.15 C ATOM 865 OE1 GLU A 54 6.642 9.475 13.579 1.00 63.12 O ATOM 866 OE2 GLU A 54 8.779 9.792 13.867 1.00 62.44 O ATOM 0 H GLU A 54 6.122 6.907 10.605 1.00 42.32 H new ATOM 0 HA GLU A 54 6.406 9.811 10.850 1.00 1.51 H new ATOM 0 HB2 GLU A 54 8.492 7.662 10.247 1.00 44.44 H new ATOM 0 HB3 GLU A 54 8.810 9.316 10.729 1.00 44.44 H new ATOM 0 HG2 GLU A 54 7.416 7.248 12.473 1.00 4.03 H new ATOM 0 HG3 GLU A 54 9.123 7.637 12.562 1.00 4.03 H new ATOM 873 N PHE A 55 6.023 10.187 8.351 1.00 3.53 N ATOM 874 CA PHE A 55 5.973 10.545 6.926 1.00 23.13 C ATOM 875 C PHE A 55 7.196 11.422 6.530 1.00 24.04 C ATOM 876 O PHE A 55 7.078 12.615 6.224 1.00 74.25 O ATOM 877 CB PHE A 55 4.619 11.234 6.599 1.00 32.53 C ATOM 878 CG PHE A 55 4.204 11.101 5.138 1.00 72.54 C ATOM 879 CD1 PHE A 55 3.900 9.846 4.617 1.00 61.34 C ATOM 880 CD2 PHE A 55 4.124 12.203 4.291 1.00 42.43 C ATOM 881 CE1 PHE A 55 3.524 9.691 3.299 1.00 4.04 C ATOM 882 CE2 PHE A 55 3.746 12.048 2.972 1.00 31.15 C ATOM 883 CZ PHE A 55 3.447 10.789 2.478 1.00 0.30 C ATOM 0 H PHE A 55 5.418 10.757 8.942 1.00 3.53 H new ATOM 0 HA PHE A 55 6.034 9.637 6.326 1.00 23.13 H new ATOM 0 HB2 PHE A 55 3.841 10.805 7.230 1.00 32.53 H new ATOM 0 HB3 PHE A 55 4.688 12.292 6.854 1.00 32.53 H new ATOM 0 HD1 PHE A 55 3.960 8.978 5.257 1.00 61.34 H new ATOM 0 HD2 PHE A 55 4.359 13.187 4.669 1.00 42.43 H new ATOM 0 HE1 PHE A 55 3.291 8.709 2.914 1.00 4.04 H new ATOM 0 HE2 PHE A 55 3.683 12.910 2.324 1.00 31.15 H new ATOM 0 HZ PHE A 55 3.153 10.671 1.446 1.00 0.30 H new ATOM 893 N THR A 56 8.382 10.789 6.585 1.00 12.31 N ATOM 894 CA THR A 56 9.671 11.375 6.153 1.00 2.23 C ATOM 895 C THR A 56 10.552 10.296 5.471 1.00 72.23 C ATOM 896 O THR A 56 10.300 9.091 5.620 1.00 31.15 O ATOM 897 CB THR A 56 10.447 12.007 7.364 1.00 1.41 C ATOM 898 OG1 THR A 56 11.671 12.618 6.911 1.00 65.03 O ATOM 899 CG2 THR A 56 10.756 10.966 8.465 1.00 40.33 C ATOM 0 H THR A 56 8.477 9.837 6.938 1.00 12.31 H new ATOM 0 HA THR A 56 9.451 12.167 5.437 1.00 2.23 H new ATOM 0 HB THR A 56 9.799 12.767 7.800 1.00 1.41 H new ATOM 0 HG1 THR A 56 12.144 13.009 7.675 1.00 65.03 H new ATOM 0 HG21 THR A 56 11.293 11.449 9.282 1.00 40.33 H new ATOM 0 HG22 THR A 56 9.823 10.547 8.842 1.00 40.33 H new ATOM 0 HG23 THR A 56 11.370 10.167 8.049 1.00 40.33 H new ATOM 907 N VAL A 57 11.582 10.735 4.726 1.00 12.43 N ATOM 908 CA VAL A 57 12.549 9.832 4.061 1.00 44.02 C ATOM 909 C VAL A 57 13.415 9.092 5.118 1.00 1.33 C ATOM 910 O VAL A 57 14.072 9.725 5.949 1.00 2.44 O ATOM 911 CB VAL A 57 13.465 10.638 3.062 1.00 1.33 C ATOM 912 CG1 VAL A 57 14.579 9.756 2.444 1.00 5.51 C ATOM 913 CG2 VAL A 57 12.604 11.304 1.956 1.00 70.32 C ATOM 0 H VAL A 57 11.771 11.724 4.566 1.00 12.43 H new ATOM 0 HA VAL A 57 11.991 9.090 3.490 1.00 44.02 H new ATOM 0 HB VAL A 57 13.965 11.419 3.635 1.00 1.33 H new ATOM 0 HG11 VAL A 57 15.183 10.356 1.763 1.00 5.51 H new ATOM 0 HG12 VAL A 57 15.212 9.360 3.238 1.00 5.51 H new ATOM 0 HG13 VAL A 57 14.127 8.930 1.895 1.00 5.51 H new ATOM 0 HG21 VAL A 57 13.251 11.856 1.275 1.00 70.32 H new ATOM 0 HG22 VAL A 57 12.065 10.535 1.402 1.00 70.32 H new ATOM 0 HG23 VAL A 57 11.890 11.989 2.414 1.00 70.32 H new ATOM 923 N GLY A 58 13.386 7.749 5.080 1.00 61.53 N ATOM 924 CA GLY A 58 14.071 6.911 6.081 1.00 62.41 C ATOM 925 C GLY A 58 13.212 6.604 7.323 1.00 52.12 C ATOM 926 O GLY A 58 13.626 5.812 8.184 1.00 63.21 O ATOM 0 H GLY A 58 12.893 7.217 4.363 1.00 61.53 H new ATOM 0 HA2 GLY A 58 14.368 5.972 5.614 1.00 62.41 H new ATOM 0 HA3 GLY A 58 14.986 7.413 6.397 1.00 62.41 H new ATOM 930 N GLY A 59 12.000 7.204 7.392 1.00 20.40 N ATOM 931 CA GLY A 59 11.095 7.047 8.546 1.00 74.53 C ATOM 932 C GLY A 59 10.258 5.776 8.470 1.00 12.14 C ATOM 933 O GLY A 59 10.156 5.167 7.411 1.00 3.43 O ATOM 0 H GLY A 59 11.629 7.804 6.655 1.00 20.40 H new ATOM 0 HA2 GLY A 59 11.683 7.036 9.464 1.00 74.53 H new ATOM 0 HA3 GLY A 59 10.432 7.910 8.603 1.00 74.53 H new ATOM 937 N LYS A 60 9.652 5.362 9.597 1.00 2.21 N ATOM 938 CA LYS A 60 8.915 4.073 9.677 1.00 12.21 C ATOM 939 C LYS A 60 7.470 4.247 10.187 1.00 13.03 C ATOM 940 O LYS A 60 7.119 5.267 10.779 1.00 15.22 O ATOM 941 CB LYS A 60 9.678 3.066 10.582 1.00 34.11 C ATOM 942 CG LYS A 60 11.115 2.739 10.110 1.00 43.35 C ATOM 943 CD LYS A 60 11.730 1.525 10.840 1.00 70.31 C ATOM 944 CE LYS A 60 10.972 0.213 10.551 1.00 75.31 C ATOM 945 NZ LYS A 60 11.553 -0.930 11.286 1.00 34.20 N ATOM 0 H LYS A 60 9.654 5.895 10.467 1.00 2.21 H new ATOM 0 HA LYS A 60 8.856 3.681 8.662 1.00 12.21 H new ATOM 0 HB2 LYS A 60 9.725 3.469 11.594 1.00 34.11 H new ATOM 0 HB3 LYS A 60 9.107 2.139 10.634 1.00 34.11 H new ATOM 0 HG2 LYS A 60 11.103 2.543 9.038 1.00 43.35 H new ATOM 0 HG3 LYS A 60 11.750 3.611 10.268 1.00 43.35 H new ATOM 0 HD2 LYS A 60 12.771 1.413 10.537 1.00 70.31 H new ATOM 0 HD3 LYS A 60 11.728 1.712 11.914 1.00 70.31 H new ATOM 0 HE2 LYS A 60 9.925 0.330 10.829 1.00 75.31 H new ATOM 0 HE3 LYS A 60 10.996 0.007 9.481 1.00 75.31 H new ATOM 0 HZ1 LYS A 60 11.016 -1.793 11.066 1.00 34.20 H new ATOM 0 HZ2 LYS A 60 12.545 -1.057 11.002 1.00 34.20 H new ATOM 0 HZ3 LYS A 60 11.507 -0.745 12.308 1.00 34.20 H new ATOM 959 N ALA A 61 6.650 3.206 9.974 1.00 10.34 N ATOM 960 CA ALA A 61 5.244 3.178 10.427 1.00 12.31 C ATOM 961 C ALA A 61 4.911 1.823 11.084 1.00 35.11 C ATOM 962 O ALA A 61 5.177 0.768 10.514 1.00 74.41 O ATOM 963 CB ALA A 61 4.294 3.491 9.257 1.00 14.44 C ATOM 0 H ALA A 61 6.939 2.359 9.484 1.00 10.34 H new ATOM 0 HA ALA A 61 5.104 3.952 11.182 1.00 12.31 H new ATOM 0 HB1 ALA A 61 3.263 3.466 9.609 1.00 14.44 H new ATOM 0 HB2 ALA A 61 4.518 4.481 8.861 1.00 14.44 H new ATOM 0 HB3 ALA A 61 4.427 2.747 8.471 1.00 14.44 H new ATOM 969 N ALA A 62 4.322 1.875 12.288 1.00 0.14 N ATOM 970 CA ALA A 62 3.907 0.677 13.048 1.00 3.31 C ATOM 971 C ALA A 62 2.374 0.585 13.039 1.00 41.31 C ATOM 972 O ALA A 62 1.699 1.545 13.415 1.00 14.42 O ATOM 973 CB ALA A 62 4.435 0.745 14.488 1.00 43.44 C ATOM 0 H ALA A 62 4.117 2.752 12.768 1.00 0.14 H new ATOM 0 HA ALA A 62 4.326 -0.214 12.580 1.00 3.31 H new ATOM 0 HB1 ALA A 62 4.120 -0.145 15.033 1.00 43.44 H new ATOM 0 HB2 ALA A 62 5.524 0.796 14.474 1.00 43.44 H new ATOM 0 HB3 ALA A 62 4.036 1.632 14.980 1.00 43.44 H new ATOM 979 N TYR A 63 1.831 -0.560 12.603 1.00 34.43 N ATOM 980 CA TYR A 63 0.368 -0.761 12.505 1.00 24.42 C ATOM 981 C TYR A 63 -0.036 -2.218 12.766 1.00 52.45 C ATOM 982 O TYR A 63 0.813 -3.094 12.954 1.00 34.31 O ATOM 983 CB TYR A 63 -0.165 -0.290 11.123 1.00 61.53 C ATOM 984 CG TYR A 63 0.450 -1.000 9.898 1.00 40.51 C ATOM 985 CD1 TYR A 63 1.676 -0.582 9.370 1.00 20.53 C ATOM 986 CD2 TYR A 63 -0.197 -2.071 9.268 1.00 30.33 C ATOM 987 CE1 TYR A 63 2.229 -1.199 8.270 1.00 44.42 C ATOM 988 CE2 TYR A 63 0.361 -2.694 8.165 1.00 61.03 C ATOM 989 CZ TYR A 63 1.572 -2.252 7.668 1.00 15.11 C ATOM 990 OH TYR A 63 2.137 -2.873 6.572 1.00 14.23 O ATOM 0 H TYR A 63 2.381 -1.368 12.310 1.00 34.43 H new ATOM 0 HA TYR A 63 -0.089 -0.151 13.285 1.00 24.42 H new ATOM 0 HB2 TYR A 63 -1.245 -0.435 11.101 1.00 61.53 H new ATOM 0 HB3 TYR A 63 0.015 0.781 11.029 1.00 61.53 H new ATOM 0 HD1 TYR A 63 2.199 0.241 9.834 1.00 20.53 H new ATOM 0 HD2 TYR A 63 -1.147 -2.416 9.649 1.00 30.33 H new ATOM 0 HE1 TYR A 63 3.176 -0.859 7.879 1.00 44.42 H new ATOM 0 HE2 TYR A 63 -0.148 -3.522 7.695 1.00 61.03 H new ATOM 0 HH TYR A 63 2.734 -2.246 6.112 1.00 14.23 H new ATOM 1000 N TYR A 64 -1.358 -2.443 12.800 1.00 21.55 N ATOM 1001 CA TYR A 64 -1.954 -3.781 12.927 1.00 13.22 C ATOM 1002 C TYR A 64 -3.410 -3.770 12.412 1.00 40.00 C ATOM 1003 O TYR A 64 -4.140 -2.801 12.636 1.00 53.11 O ATOM 1004 CB TYR A 64 -1.886 -4.273 14.401 1.00 22.44 C ATOM 1005 CG TYR A 64 -2.543 -3.326 15.426 1.00 4.13 C ATOM 1006 CD1 TYR A 64 -1.836 -2.260 15.998 1.00 12.43 C ATOM 1007 CD2 TYR A 64 -3.866 -3.514 15.836 1.00 42.00 C ATOM 1008 CE1 TYR A 64 -2.430 -1.425 16.922 1.00 34.21 C ATOM 1009 CE2 TYR A 64 -4.458 -2.684 16.759 1.00 52.15 C ATOM 1010 CZ TYR A 64 -3.736 -1.642 17.305 1.00 61.33 C ATOM 1011 OH TYR A 64 -4.325 -0.808 18.232 1.00 41.25 O ATOM 0 H TYR A 64 -2.049 -1.695 12.740 1.00 21.55 H new ATOM 0 HA TYR A 64 -1.381 -4.478 12.315 1.00 13.22 H new ATOM 0 HB2 TYR A 64 -2.368 -5.249 14.467 1.00 22.44 H new ATOM 0 HB3 TYR A 64 -0.841 -4.414 14.675 1.00 22.44 H new ATOM 0 HD1 TYR A 64 -0.809 -2.089 15.711 1.00 12.43 H new ATOM 0 HD2 TYR A 64 -4.437 -4.330 15.418 1.00 42.00 H new ATOM 0 HE1 TYR A 64 -1.872 -0.602 17.345 1.00 34.21 H new ATOM 0 HE2 TYR A 64 -5.484 -2.847 17.055 1.00 52.15 H new ATOM 0 HH TYR A 64 -5.248 -1.096 18.392 1.00 41.25 H new ATOM 1021 N MET A 65 -3.815 -4.839 11.711 1.00 33.23 N ATOM 1022 CA MET A 65 -5.197 -5.001 11.211 1.00 31.52 C ATOM 1023 C MET A 65 -6.037 -5.808 12.221 1.00 42.22 C ATOM 1024 O MET A 65 -5.722 -6.968 12.513 1.00 70.21 O ATOM 1025 CB MET A 65 -5.188 -5.704 9.831 1.00 55.52 C ATOM 1026 CG MET A 65 -4.463 -4.926 8.723 1.00 32.05 C ATOM 1027 SD MET A 65 -4.420 -5.821 7.155 1.00 61.21 S ATOM 1028 CE MET A 65 -3.522 -7.311 7.602 1.00 34.33 C ATOM 0 H MET A 65 -3.199 -5.616 11.473 1.00 33.23 H new ATOM 0 HA MET A 65 -5.647 -4.015 11.095 1.00 31.52 H new ATOM 0 HB2 MET A 65 -4.717 -6.681 9.939 1.00 55.52 H new ATOM 0 HB3 MET A 65 -6.218 -5.879 9.520 1.00 55.52 H new ATOM 0 HG2 MET A 65 -4.958 -3.966 8.575 1.00 32.05 H new ATOM 0 HG3 MET A 65 -3.443 -4.712 9.043 1.00 32.05 H new ATOM 0 HE1 MET A 65 -3.176 -7.812 6.698 1.00 34.33 H new ATOM 0 HE2 MET A 65 -2.665 -7.047 8.221 1.00 34.33 H new ATOM 0 HE3 MET A 65 -4.180 -7.979 8.158 1.00 34.33 H new ATOM 1038 N THR A 66 -7.088 -5.174 12.763 1.00 44.30 N ATOM 1039 CA THR A 66 -8.019 -5.825 13.703 1.00 1.11 C ATOM 1040 C THR A 66 -9.053 -6.668 12.923 1.00 61.20 C ATOM 1041 O THR A 66 -10.012 -6.132 12.364 1.00 52.31 O ATOM 1042 CB THR A 66 -8.756 -4.775 14.607 1.00 73.41 C ATOM 1043 OG1 THR A 66 -7.788 -3.925 15.256 1.00 74.55 O ATOM 1044 CG2 THR A 66 -9.638 -5.451 15.683 1.00 43.44 C ATOM 0 H THR A 66 -7.318 -4.200 12.565 1.00 44.30 H new ATOM 0 HA THR A 66 -7.435 -6.475 14.355 1.00 1.11 H new ATOM 0 HB THR A 66 -9.405 -4.187 13.959 1.00 73.41 H new ATOM 0 HG1 THR A 66 -8.252 -3.270 15.818 1.00 74.55 H new ATOM 0 HG21 THR A 66 -10.128 -4.686 16.285 1.00 43.44 H new ATOM 0 HG22 THR A 66 -10.393 -6.070 15.198 1.00 43.44 H new ATOM 0 HG23 THR A 66 -9.015 -6.074 16.325 1.00 43.44 H new ATOM 1052 N GLY A 67 -8.817 -7.990 12.873 1.00 71.34 N ATOM 1053 CA GLY A 67 -9.701 -8.936 12.182 1.00 72.24 C ATOM 1054 C GLY A 67 -11.097 -9.067 12.796 1.00 11.14 C ATOM 1055 O GLY A 67 -11.338 -8.551 13.895 1.00 61.21 O ATOM 0 H GLY A 67 -8.008 -8.430 13.311 1.00 71.34 H new ATOM 0 HA2 GLY A 67 -9.803 -8.625 11.142 1.00 72.24 H new ATOM 0 HA3 GLY A 67 -9.227 -9.918 12.176 1.00 72.24 H new ATOM 1059 N PRO A 68 -12.041 -9.800 12.118 1.00 53.20 N ATOM 1060 CA PRO A 68 -13.480 -9.872 12.522 1.00 41.43 C ATOM 1061 C PRO A 68 -13.700 -10.420 13.965 1.00 2.33 C ATOM 1062 O PRO A 68 -14.580 -9.945 14.688 1.00 74.21 O ATOM 1063 CB PRO A 68 -14.109 -10.806 11.443 1.00 11.15 C ATOM 1064 CG PRO A 68 -12.948 -11.573 10.871 1.00 55.44 C ATOM 1065 CD PRO A 68 -11.781 -10.615 10.897 1.00 61.24 C ATOM 0 HA PRO A 68 -13.937 -8.883 12.562 1.00 41.43 H new ATOM 0 HB2 PRO A 68 -14.847 -11.477 11.883 1.00 11.15 H new ATOM 0 HB3 PRO A 68 -14.621 -10.230 10.672 1.00 11.15 H new ATOM 0 HG2 PRO A 68 -12.737 -12.465 11.462 1.00 55.44 H new ATOM 0 HG3 PRO A 68 -13.160 -11.906 9.855 1.00 55.44 H new ATOM 0 HD2 PRO A 68 -10.828 -11.141 10.959 1.00 61.24 H new ATOM 0 HD3 PRO A 68 -11.746 -9.997 10.000 1.00 61.24 H new ATOM 1073 N ASP A 69 -12.871 -11.396 14.380 1.00 34.22 N ATOM 1074 CA ASP A 69 -12.934 -12.002 15.737 1.00 5.03 C ATOM 1075 C ASP A 69 -11.936 -11.331 16.721 1.00 1.33 C ATOM 1076 O ASP A 69 -11.598 -11.899 17.769 1.00 51.44 O ATOM 1077 CB ASP A 69 -12.663 -13.521 15.626 1.00 34.40 C ATOM 1078 CG ASP A 69 -13.662 -14.224 14.695 1.00 44.11 C ATOM 1079 OD1 ASP A 69 -14.757 -14.611 15.155 1.00 60.24 O ATOM 1080 OD2 ASP A 69 -13.361 -14.374 13.493 1.00 54.42 O ATOM 0 H ASP A 69 -12.138 -11.791 13.791 1.00 34.22 H new ATOM 0 HA ASP A 69 -13.932 -11.836 16.144 1.00 5.03 H new ATOM 0 HB2 ASP A 69 -11.650 -13.681 15.256 1.00 34.40 H new ATOM 0 HB3 ASP A 69 -12.715 -13.971 16.618 1.00 34.40 H new ATOM 1085 N GLY A 70 -11.514 -10.096 16.392 1.00 23.20 N ATOM 1086 CA GLY A 70 -10.464 -9.389 17.142 1.00 33.45 C ATOM 1087 C GLY A 70 -9.051 -9.910 16.839 1.00 31.23 C ATOM 1088 O GLY A 70 -8.105 -9.627 17.581 1.00 71.04 O ATOM 0 H GLY A 70 -11.889 -9.566 15.605 1.00 23.20 H new ATOM 0 HA2 GLY A 70 -10.511 -8.326 16.906 1.00 33.45 H new ATOM 0 HA3 GLY A 70 -10.660 -9.488 18.210 1.00 33.45 H new ATOM 1092 N THR A 71 -8.916 -10.655 15.724 1.00 10.54 N ATOM 1093 CA THR A 71 -7.651 -11.313 15.319 1.00 73.13 C ATOM 1094 C THR A 71 -6.620 -10.264 14.823 1.00 10.44 C ATOM 1095 O THR A 71 -6.706 -9.772 13.707 1.00 70.12 O ATOM 1096 CB THR A 71 -7.911 -12.387 14.203 1.00 53.34 C ATOM 1097 OG1 THR A 71 -9.016 -13.231 14.583 1.00 3.24 O ATOM 1098 CG2 THR A 71 -6.663 -13.259 13.951 1.00 21.45 C ATOM 0 H THR A 71 -9.684 -10.820 15.073 1.00 10.54 H new ATOM 0 HA THR A 71 -7.241 -11.817 16.194 1.00 73.13 H new ATOM 0 HB THR A 71 -8.147 -11.856 13.281 1.00 53.34 H new ATOM 0 HG1 THR A 71 -9.174 -13.898 13.882 1.00 3.24 H new ATOM 0 HG21 THR A 71 -6.881 -13.990 13.173 1.00 21.45 H new ATOM 0 HG22 THR A 71 -5.835 -12.626 13.632 1.00 21.45 H new ATOM 0 HG23 THR A 71 -6.390 -13.778 14.870 1.00 21.45 H new ATOM 1106 N LYS A 72 -5.648 -9.933 15.678 1.00 0.41 N ATOM 1107 CA LYS A 72 -4.757 -8.771 15.483 1.00 71.22 C ATOM 1108 C LYS A 72 -3.472 -9.155 14.699 1.00 41.42 C ATOM 1109 O LYS A 72 -2.574 -9.807 15.247 1.00 53.32 O ATOM 1110 CB LYS A 72 -4.430 -8.182 16.880 1.00 54.23 C ATOM 1111 CG LYS A 72 -3.723 -6.814 16.868 1.00 75.51 C ATOM 1112 CD LYS A 72 -3.543 -6.226 18.292 1.00 71.04 C ATOM 1113 CE LYS A 72 -4.891 -5.881 18.965 1.00 54.34 C ATOM 1114 NZ LYS A 72 -4.725 -5.433 20.369 1.00 62.12 N ATOM 0 H LYS A 72 -5.451 -10.460 16.529 1.00 0.41 H new ATOM 0 HA LYS A 72 -5.258 -8.018 14.875 1.00 71.22 H new ATOM 0 HB2 LYS A 72 -5.359 -8.088 17.443 1.00 54.23 H new ATOM 0 HB3 LYS A 72 -3.802 -8.892 17.418 1.00 54.23 H new ATOM 0 HG2 LYS A 72 -2.746 -6.917 16.395 1.00 75.51 H new ATOM 0 HG3 LYS A 72 -4.299 -6.116 16.260 1.00 75.51 H new ATOM 0 HD2 LYS A 72 -3.004 -6.942 18.912 1.00 71.04 H new ATOM 0 HD3 LYS A 72 -2.928 -5.328 18.236 1.00 71.04 H new ATOM 0 HE2 LYS A 72 -5.389 -5.098 18.393 1.00 54.34 H new ATOM 0 HE3 LYS A 72 -5.541 -6.756 18.940 1.00 54.34 H new ATOM 0 HZ1 LYS A 72 -5.657 -5.214 20.776 1.00 62.12 H new ATOM 0 HZ2 LYS A 72 -4.274 -6.189 20.923 1.00 62.12 H new ATOM 0 HZ3 LYS A 72 -4.128 -4.582 20.394 1.00 62.12 H new ATOM 1128 N ALA A 73 -3.405 -8.748 13.410 1.00 40.52 N ATOM 1129 CA ALA A 73 -2.256 -9.045 12.515 1.00 22.42 C ATOM 1130 C ALA A 73 -1.306 -7.831 12.422 1.00 22.32 C ATOM 1131 O ALA A 73 -1.624 -6.833 11.766 1.00 0.44 O ATOM 1132 CB ALA A 73 -2.752 -9.456 11.117 1.00 52.33 C ATOM 0 H ALA A 73 -4.142 -8.206 12.960 1.00 40.52 H new ATOM 0 HA ALA A 73 -1.699 -9.880 12.940 1.00 22.42 H new ATOM 0 HB1 ALA A 73 -1.897 -9.670 10.476 1.00 52.33 H new ATOM 0 HB2 ALA A 73 -3.375 -10.347 11.199 1.00 52.33 H new ATOM 0 HB3 ALA A 73 -3.336 -8.643 10.685 1.00 52.33 H new ATOM 1138 N ARG A 74 -0.143 -7.931 13.083 1.00 73.22 N ATOM 1139 CA ARG A 74 0.846 -6.830 13.163 1.00 1.55 C ATOM 1140 C ARG A 74 1.607 -6.650 11.817 1.00 52.13 C ATOM 1141 O ARG A 74 1.955 -7.629 11.155 1.00 64.21 O ATOM 1142 CB ARG A 74 1.828 -7.112 14.338 1.00 61.33 C ATOM 1143 CG ARG A 74 2.749 -5.927 14.736 1.00 72.43 C ATOM 1144 CD ARG A 74 3.575 -6.232 15.999 1.00 40.45 C ATOM 1145 NE ARG A 74 4.325 -5.052 16.482 1.00 5.00 N ATOM 1146 CZ ARG A 74 4.116 -4.436 17.627 1.00 65.22 C ATOM 1147 NH1 ARG A 74 3.197 -4.833 18.452 1.00 32.03 N ATOM 1148 NH2 ARG A 74 4.840 -3.414 17.942 1.00 63.33 N ATOM 0 H ARG A 74 0.144 -8.775 13.579 1.00 73.22 H new ATOM 0 HA ARG A 74 0.322 -5.893 13.353 1.00 1.55 H new ATOM 0 HB2 ARG A 74 1.247 -7.408 15.212 1.00 61.33 H new ATOM 0 HB3 ARG A 74 2.455 -7.962 14.069 1.00 61.33 H new ATOM 0 HG2 ARG A 74 3.422 -5.699 13.910 1.00 72.43 H new ATOM 0 HG3 ARG A 74 2.142 -5.038 14.907 1.00 72.43 H new ATOM 0 HD2 ARG A 74 2.910 -6.584 16.788 1.00 40.45 H new ATOM 0 HD3 ARG A 74 4.274 -7.041 15.786 1.00 40.45 H new ATOM 0 HE ARG A 74 5.063 -4.686 15.880 1.00 5.00 H new ATOM 0 HH11 ARG A 74 2.617 -5.639 18.220 1.00 32.03 H new ATOM 0 HH12 ARG A 74 3.055 -4.339 19.333 1.00 32.03 H new ATOM 0 HH21 ARG A 74 5.568 -3.089 17.306 1.00 63.33 H new ATOM 0 HH22 ARG A 74 4.684 -2.932 18.827 1.00 63.33 H new ATOM 1162 N GLY A 75 1.822 -5.387 11.406 1.00 24.45 N ATOM 1163 CA GLY A 75 2.599 -5.062 10.198 1.00 4.14 C ATOM 1164 C GLY A 75 3.535 -3.867 10.402 1.00 21.21 C ATOM 1165 O GLY A 75 3.263 -2.983 11.222 1.00 42.34 O ATOM 0 H GLY A 75 1.464 -4.569 11.899 1.00 24.45 H new ATOM 0 HA2 GLY A 75 3.186 -5.932 9.903 1.00 4.14 H new ATOM 0 HA3 GLY A 75 1.915 -4.846 9.378 1.00 4.14 H new ATOM 1169 N TRP A 76 4.644 -3.846 9.644 1.00 44.41 N ATOM 1170 CA TRP A 76 5.649 -2.753 9.681 1.00 62.44 C ATOM 1171 C TRP A 76 5.745 -2.047 8.304 1.00 1.01 C ATOM 1172 O TRP A 76 5.401 -2.631 7.265 1.00 34.13 O ATOM 1173 CB TRP A 76 7.046 -3.322 10.073 1.00 1.32 C ATOM 1174 CG TRP A 76 7.621 -4.255 9.026 1.00 15.43 C ATOM 1175 CD1 TRP A 76 7.303 -5.562 8.836 1.00 55.41 C ATOM 1176 CD2 TRP A 76 8.584 -3.933 8.008 1.00 34.52 C ATOM 1177 NE1 TRP A 76 7.967 -6.068 7.759 1.00 42.14 N ATOM 1178 CE2 TRP A 76 8.768 -5.094 7.238 1.00 11.42 C ATOM 1179 CE3 TRP A 76 9.301 -2.778 7.673 1.00 54.22 C ATOM 1180 CZ2 TRP A 76 9.623 -5.137 6.154 1.00 34.13 C ATOM 1181 CZ3 TRP A 76 10.157 -2.824 6.594 1.00 33.35 C ATOM 1182 CH2 TRP A 76 10.312 -4.000 5.845 1.00 30.00 C ATOM 0 H TRP A 76 4.876 -4.587 8.983 1.00 44.41 H new ATOM 0 HA TRP A 76 5.331 -2.025 10.427 1.00 62.44 H new ATOM 0 HB2 TRP A 76 7.737 -2.495 10.233 1.00 1.32 H new ATOM 0 HB3 TRP A 76 6.962 -3.855 11.020 1.00 1.32 H new ATOM 0 HD1 TRP A 76 6.618 -6.123 9.454 1.00 55.41 H new ATOM 0 HE1 TRP A 76 7.880 -7.019 7.401 1.00 42.14 H new ATOM 0 HE3 TRP A 76 9.186 -1.871 8.248 1.00 54.22 H new ATOM 0 HZ2 TRP A 76 9.742 -6.039 5.571 1.00 34.13 H new ATOM 0 HZ3 TRP A 76 10.717 -1.942 6.321 1.00 33.35 H new ATOM 0 HH2 TRP A 76 10.991 -4.006 5.005 1.00 30.00 H new ATOM 1193 N TRP A 77 6.207 -0.792 8.326 1.00 2.25 N ATOM 1194 CA TRP A 77 6.605 -0.017 7.123 1.00 54.23 C ATOM 1195 C TRP A 77 7.979 0.654 7.331 1.00 22.05 C ATOM 1196 O TRP A 77 8.419 0.851 8.469 1.00 1.34 O ATOM 1197 CB TRP A 77 5.560 1.096 6.811 1.00 32.23 C ATOM 1198 CG TRP A 77 4.432 0.741 5.874 1.00 22.03 C ATOM 1199 CD1 TRP A 77 4.078 -0.480 5.374 1.00 71.34 C ATOM 1200 CD2 TRP A 77 3.525 1.681 5.302 1.00 25.22 C ATOM 1201 NE1 TRP A 77 2.987 -0.350 4.552 1.00 61.31 N ATOM 1202 CE2 TRP A 77 2.642 0.975 4.488 1.00 71.21 C ATOM 1203 CE3 TRP A 77 3.386 3.061 5.416 1.00 31.22 C ATOM 1204 CZ2 TRP A 77 1.627 1.611 3.783 1.00 73.45 C ATOM 1205 CZ3 TRP A 77 2.385 3.688 4.713 1.00 42.34 C ATOM 1206 CH2 TRP A 77 1.517 2.961 3.904 1.00 25.51 C ATOM 0 H TRP A 77 6.321 -0.267 9.193 1.00 2.25 H new ATOM 0 HA TRP A 77 6.659 -0.719 6.290 1.00 54.23 H new ATOM 0 HB2 TRP A 77 5.124 1.424 7.755 1.00 32.23 H new ATOM 0 HB3 TRP A 77 6.092 1.950 6.391 1.00 32.23 H new ATOM 0 HD1 TRP A 77 4.582 -1.410 5.593 1.00 71.34 H new ATOM 0 HE1 TRP A 77 2.512 -1.112 4.069 1.00 61.31 H new ATOM 0 HE3 TRP A 77 4.053 3.630 6.046 1.00 31.22 H new ATOM 0 HZ2 TRP A 77 0.947 1.051 3.159 1.00 73.45 H new ATOM 0 HZ3 TRP A 77 2.271 4.759 4.790 1.00 42.34 H new ATOM 0 HH2 TRP A 77 0.740 3.479 3.361 1.00 25.51 H new ATOM 1217 N GLN A 78 8.635 1.016 6.216 1.00 20.20 N ATOM 1218 CA GLN A 78 9.747 1.987 6.224 1.00 62.13 C ATOM 1219 C GLN A 78 9.757 2.808 4.921 1.00 31.54 C ATOM 1220 O GLN A 78 10.120 2.297 3.861 1.00 51.31 O ATOM 1221 CB GLN A 78 11.125 1.309 6.457 1.00 62.01 C ATOM 1222 CG GLN A 78 12.290 2.328 6.564 1.00 64.50 C ATOM 1223 CD GLN A 78 13.584 1.750 7.134 1.00 11.13 C ATOM 1224 OE1 GLN A 78 13.901 0.581 6.942 1.00 11.21 O ATOM 1225 NE2 GLN A 78 14.325 2.561 7.866 1.00 44.21 N ATOM 0 H GLN A 78 8.414 0.649 5.290 1.00 20.20 H new ATOM 0 HA GLN A 78 9.579 2.660 7.065 1.00 62.13 H new ATOM 0 HB2 GLN A 78 11.083 0.716 7.371 1.00 62.01 H new ATOM 0 HB3 GLN A 78 11.327 0.618 5.638 1.00 62.01 H new ATOM 0 HG2 GLN A 78 12.493 2.734 5.573 1.00 64.50 H new ATOM 0 HG3 GLN A 78 11.971 3.161 7.191 1.00 64.50 H new ATOM 0 HE21 GLN A 78 14.035 3.529 8.008 1.00 44.21 H new ATOM 0 HE22 GLN A 78 15.188 2.220 8.290 1.00 44.21 H new ATOM 1234 N PHE A 79 9.350 4.084 5.033 1.00 44.21 N ATOM 1235 CA PHE A 79 9.355 5.058 3.925 1.00 42.32 C ATOM 1236 C PHE A 79 10.792 5.316 3.423 1.00 10.21 C ATOM 1237 O PHE A 79 11.672 5.663 4.210 1.00 1.24 O ATOM 1238 CB PHE A 79 8.733 6.397 4.386 1.00 33.34 C ATOM 1239 CG PHE A 79 7.310 6.295 4.925 1.00 53.13 C ATOM 1240 CD1 PHE A 79 6.212 6.420 4.078 1.00 33.15 C ATOM 1241 CD2 PHE A 79 7.072 6.099 6.284 1.00 15.13 C ATOM 1242 CE1 PHE A 79 4.929 6.356 4.573 1.00 1.12 C ATOM 1243 CE2 PHE A 79 5.787 6.039 6.779 1.00 3.42 C ATOM 1244 CZ PHE A 79 4.718 6.169 5.923 1.00 35.11 C ATOM 0 H PHE A 79 9.003 4.475 5.909 1.00 44.21 H new ATOM 0 HA PHE A 79 8.764 4.639 3.111 1.00 42.32 H new ATOM 0 HB2 PHE A 79 9.368 6.828 5.160 1.00 33.34 H new ATOM 0 HB3 PHE A 79 8.738 7.091 3.546 1.00 33.34 H new ATOM 0 HD1 PHE A 79 6.369 6.569 3.020 1.00 33.15 H new ATOM 0 HD2 PHE A 79 7.908 5.992 6.960 1.00 15.13 H new ATOM 0 HE1 PHE A 79 4.087 6.452 3.904 1.00 1.12 H new ATOM 0 HE2 PHE A 79 5.620 5.890 7.836 1.00 3.42 H new ATOM 0 HZ PHE A 79 3.710 6.124 6.309 1.00 35.11 H new ATOM 1254 N THR A 80 11.019 5.138 2.114 1.00 3.25 N ATOM 1255 CA THR A 80 12.346 5.335 1.480 1.00 4.54 C ATOM 1256 C THR A 80 12.393 6.619 0.631 1.00 14.23 C ATOM 1257 O THR A 80 13.411 7.313 0.594 1.00 51.22 O ATOM 1258 CB THR A 80 12.719 4.122 0.570 1.00 5.02 C ATOM 1259 OG1 THR A 80 11.849 4.069 -0.579 1.00 5.24 O ATOM 1260 CG2 THR A 80 12.622 2.795 1.333 1.00 64.00 C ATOM 0 H THR A 80 10.292 4.853 1.458 1.00 3.25 H new ATOM 0 HA THR A 80 13.066 5.422 2.294 1.00 4.54 H new ATOM 0 HB THR A 80 13.750 4.265 0.247 1.00 5.02 H new ATOM 0 HG1 THR A 80 12.370 3.825 -1.373 1.00 5.24 H new ATOM 0 HG21 THR A 80 12.888 1.973 0.669 1.00 64.00 H new ATOM 0 HG22 THR A 80 13.306 2.812 2.181 1.00 64.00 H new ATOM 0 HG23 THR A 80 11.602 2.655 1.692 1.00 64.00 H new ATOM 1268 N THR A 81 11.279 6.921 -0.059 1.00 70.14 N ATOM 1269 CA THR A 81 11.194 8.053 -1.010 1.00 30.13 C ATOM 1270 C THR A 81 9.886 8.832 -0.794 1.00 43.21 C ATOM 1271 O THR A 81 8.808 8.327 -1.091 1.00 4.31 O ATOM 1272 CB THR A 81 11.262 7.560 -2.499 1.00 10.33 C ATOM 1273 OG1 THR A 81 12.422 6.732 -2.689 1.00 35.32 O ATOM 1274 CG2 THR A 81 11.301 8.725 -3.509 1.00 54.45 C ATOM 0 H THR A 81 10.412 6.391 0.024 1.00 70.14 H new ATOM 0 HA THR A 81 12.048 8.704 -0.821 1.00 30.13 H new ATOM 0 HB THR A 81 10.352 6.990 -2.685 1.00 10.33 H new ATOM 0 HG1 THR A 81 12.275 6.132 -3.450 1.00 35.32 H new ATOM 0 HG21 THR A 81 11.348 8.327 -4.522 1.00 54.45 H new ATOM 0 HG22 THR A 81 10.403 9.332 -3.399 1.00 54.45 H new ATOM 0 HG23 THR A 81 12.180 9.341 -3.320 1.00 54.45 H new ATOM 1282 N ILE A 82 9.988 10.055 -0.248 1.00 60.03 N ATOM 1283 CA ILE A 82 8.843 10.976 -0.097 1.00 72.45 C ATOM 1284 C ILE A 82 9.209 12.320 -0.751 1.00 41.03 C ATOM 1285 O ILE A 82 9.812 13.198 -0.123 1.00 20.53 O ATOM 1286 CB ILE A 82 8.419 11.173 1.414 1.00 52.22 C ATOM 1287 CG1 ILE A 82 8.112 9.788 2.065 1.00 13.41 C ATOM 1288 CG2 ILE A 82 7.205 12.140 1.539 1.00 31.21 C ATOM 1289 CD1 ILE A 82 7.488 9.835 3.435 1.00 62.14 C ATOM 0 H ILE A 82 10.867 10.436 0.102 1.00 60.03 H new ATOM 0 HA ILE A 82 7.977 10.540 -0.595 1.00 72.45 H new ATOM 0 HB ILE A 82 9.249 11.631 1.951 1.00 52.22 H new ATOM 0 HG12 ILE A 82 7.447 9.235 1.402 1.00 13.41 H new ATOM 0 HG13 ILE A 82 9.042 9.223 2.128 1.00 13.41 H new ATOM 0 HG21 ILE A 82 6.938 12.255 2.590 1.00 31.21 H new ATOM 0 HG22 ILE A 82 7.470 13.112 1.124 1.00 31.21 H new ATOM 0 HG23 ILE A 82 6.356 11.731 0.991 1.00 31.21 H new ATOM 0 HD11 ILE A 82 7.318 8.819 3.792 1.00 62.14 H new ATOM 0 HD12 ILE A 82 8.157 10.354 4.122 1.00 62.14 H new ATOM 0 HD13 ILE A 82 6.537 10.366 3.384 1.00 62.14 H new ATOM 1301 N GLU A 83 8.905 12.431 -2.052 1.00 2.44 N ATOM 1302 CA GLU A 83 9.172 13.653 -2.839 1.00 51.43 C ATOM 1303 C GLU A 83 8.019 14.662 -2.704 1.00 63.23 C ATOM 1304 O GLU A 83 8.256 15.869 -2.562 1.00 75.40 O ATOM 1305 CB GLU A 83 9.427 13.285 -4.325 1.00 33.14 C ATOM 1306 CG GLU A 83 10.678 12.400 -4.530 1.00 14.42 C ATOM 1307 CD GLU A 83 11.079 12.165 -5.991 1.00 65.34 C ATOM 1308 OE1 GLU A 83 10.829 13.038 -6.848 1.00 71.33 O ATOM 1309 OE2 GLU A 83 11.664 11.104 -6.289 1.00 30.41 O ATOM 0 H GLU A 83 8.469 11.682 -2.590 1.00 2.44 H new ATOM 0 HA GLU A 83 10.069 14.131 -2.444 1.00 51.43 H new ATOM 0 HB2 GLU A 83 8.554 12.764 -4.718 1.00 33.14 H new ATOM 0 HB3 GLU A 83 9.540 14.201 -4.905 1.00 33.14 H new ATOM 0 HG2 GLU A 83 11.518 12.860 -4.009 1.00 14.42 H new ATOM 0 HG3 GLU A 83 10.501 11.433 -4.059 1.00 14.42 H new ATOM 1316 N ALA A 84 6.776 14.125 -2.751 1.00 60.43 N ATOM 1317 CA ALA A 84 5.516 14.892 -2.602 1.00 24.15 C ATOM 1318 C ALA A 84 5.250 15.884 -3.785 1.00 40.22 C ATOM 1319 O ALA A 84 6.177 16.527 -4.289 1.00 33.22 O ATOM 1320 CB ALA A 84 5.453 15.604 -1.228 1.00 12.12 C ATOM 0 H ALA A 84 6.618 13.128 -2.896 1.00 60.43 H new ATOM 0 HA ALA A 84 4.706 14.163 -2.642 1.00 24.15 H new ATOM 0 HB1 ALA A 84 4.518 16.158 -1.148 1.00 12.12 H new ATOM 0 HB2 ALA A 84 5.505 14.862 -0.431 1.00 12.12 H new ATOM 0 HB3 ALA A 84 6.292 16.293 -1.137 1.00 12.12 H new ATOM 1326 N PRO A 85 3.971 16.027 -4.267 1.00 25.30 N ATOM 1327 CA PRO A 85 2.781 15.277 -3.782 1.00 41.14 C ATOM 1328 C PRO A 85 2.493 13.987 -4.593 1.00 33.10 C ATOM 1329 O PRO A 85 1.403 13.429 -4.497 1.00 73.21 O ATOM 1330 CB PRO A 85 1.672 16.325 -4.000 1.00 72.04 C ATOM 1331 CG PRO A 85 2.054 16.983 -5.302 1.00 41.41 C ATOM 1332 CD PRO A 85 3.583 16.973 -5.353 1.00 13.05 C ATOM 0 HA PRO A 85 2.890 14.914 -2.760 1.00 41.14 H new ATOM 0 HB2 PRO A 85 0.688 15.860 -4.060 1.00 72.04 H new ATOM 0 HB3 PRO A 85 1.635 17.045 -3.183 1.00 72.04 H new ATOM 0 HG2 PRO A 85 1.633 16.442 -6.150 1.00 41.41 H new ATOM 0 HG3 PRO A 85 1.670 18.002 -5.351 1.00 41.41 H new ATOM 0 HD2 PRO A 85 3.948 16.638 -6.324 1.00 13.05 H new ATOM 0 HD3 PRO A 85 3.995 17.968 -5.183 1.00 13.05 H new ATOM 1340 N ASP A 86 3.480 13.517 -5.373 1.00 14.33 N ATOM 1341 CA ASP A 86 3.279 12.455 -6.382 1.00 70.30 C ATOM 1342 C ASP A 86 3.995 11.123 -6.013 1.00 21.00 C ATOM 1343 O ASP A 86 3.363 10.064 -5.949 1.00 14.02 O ATOM 1344 CB ASP A 86 3.740 12.994 -7.769 1.00 34.51 C ATOM 1345 CG ASP A 86 5.249 13.297 -7.852 1.00 1.41 C ATOM 1346 OD1 ASP A 86 5.739 14.142 -7.067 1.00 24.25 O ATOM 1347 OD2 ASP A 86 5.956 12.665 -8.666 1.00 65.15 O ATOM 0 H ASP A 86 4.440 13.859 -5.325 1.00 14.33 H new ATOM 0 HA ASP A 86 2.218 12.207 -6.417 1.00 70.30 H new ATOM 0 HB2 ASP A 86 3.484 12.262 -8.535 1.00 34.51 H new ATOM 0 HB3 ASP A 86 3.184 13.903 -7.997 1.00 34.51 H new ATOM 1352 N HIS A 87 5.314 11.186 -5.752 1.00 45.34 N ATOM 1353 CA HIS A 87 6.167 9.985 -5.611 1.00 11.04 C ATOM 1354 C HIS A 87 6.337 9.574 -4.124 1.00 30.31 C ATOM 1355 O HIS A 87 6.904 10.313 -3.309 1.00 21.32 O ATOM 1356 CB HIS A 87 7.541 10.251 -6.280 1.00 40.30 C ATOM 1357 CG HIS A 87 8.439 9.042 -6.429 1.00 24.31 C ATOM 1358 ND1 HIS A 87 9.711 9.130 -6.940 1.00 74.54 N ATOM 1359 CD2 HIS A 87 8.253 7.722 -6.149 1.00 51.22 C ATOM 1360 CE1 HIS A 87 10.266 7.943 -6.967 1.00 41.43 C ATOM 1361 NE2 HIS A 87 9.408 7.070 -6.497 1.00 12.35 N ATOM 0 H HIS A 87 5.819 12.064 -5.633 1.00 45.34 H new ATOM 0 HA HIS A 87 5.680 9.149 -6.113 1.00 11.04 H new ATOM 0 HB2 HIS A 87 7.368 10.677 -7.268 1.00 40.30 H new ATOM 0 HB3 HIS A 87 8.070 11.005 -5.696 1.00 40.30 H new ATOM 0 HD1 HIS A 87 10.158 9.992 -7.252 1.00 74.54 H new ATOM 0 HD2 HIS A 87 7.364 7.274 -5.732 1.00 51.22 H new ATOM 0 HE1 HIS A 87 11.263 7.721 -7.318 1.00 41.43 H new ATOM 1370 N LEU A 88 5.847 8.366 -3.819 1.00 75.43 N ATOM 1371 CA LEU A 88 6.005 7.690 -2.520 1.00 24.54 C ATOM 1372 C LEU A 88 6.598 6.282 -2.740 1.00 22.43 C ATOM 1373 O LEU A 88 6.261 5.605 -3.711 1.00 11.23 O ATOM 1374 CB LEU A 88 4.637 7.583 -1.793 1.00 10.31 C ATOM 1375 CG LEU A 88 4.645 6.890 -0.390 1.00 50.20 C ATOM 1376 CD1 LEU A 88 5.565 7.628 0.601 1.00 71.31 C ATOM 1377 CD2 LEU A 88 3.216 6.756 0.174 1.00 44.45 C ATOM 0 H LEU A 88 5.312 7.813 -4.489 1.00 75.43 H new ATOM 0 HA LEU A 88 6.682 8.275 -1.897 1.00 24.54 H new ATOM 0 HB2 LEU A 88 4.234 8.589 -1.675 1.00 10.31 H new ATOM 0 HB3 LEU A 88 3.949 7.038 -2.439 1.00 10.31 H new ATOM 0 HG LEU A 88 5.047 5.886 -0.525 1.00 50.20 H new ATOM 0 HD11 LEU A 88 5.545 7.118 1.564 1.00 71.31 H new ATOM 0 HD12 LEU A 88 6.584 7.635 0.215 1.00 71.31 H new ATOM 0 HD13 LEU A 88 5.217 8.653 0.726 1.00 71.31 H new ATOM 0 HD21 LEU A 88 3.254 6.271 1.149 1.00 44.45 H new ATOM 0 HD22 LEU A 88 2.772 7.746 0.278 1.00 44.45 H new ATOM 0 HD23 LEU A 88 2.611 6.156 -0.506 1.00 44.45 H new ATOM 1389 N GLU A 89 7.521 5.872 -1.859 1.00 61.33 N ATOM 1390 CA GLU A 89 8.055 4.492 -1.800 1.00 51.10 C ATOM 1391 C GLU A 89 8.263 4.083 -0.331 1.00 23.40 C ATOM 1392 O GLU A 89 8.559 4.934 0.520 1.00 63.44 O ATOM 1393 CB GLU A 89 9.395 4.356 -2.581 1.00 72.23 C ATOM 1394 CG GLU A 89 9.283 4.544 -4.102 1.00 63.41 C ATOM 1395 CD GLU A 89 10.584 4.268 -4.868 1.00 62.33 C ATOM 1396 OE1 GLU A 89 10.847 3.092 -5.197 1.00 4.20 O ATOM 1397 OE2 GLU A 89 11.345 5.221 -5.146 1.00 4.24 O ATOM 0 H GLU A 89 7.926 6.491 -1.157 1.00 61.33 H new ATOM 0 HA GLU A 89 7.329 3.830 -2.272 1.00 51.10 H new ATOM 0 HB2 GLU A 89 10.101 5.089 -2.191 1.00 72.23 H new ATOM 0 HB3 GLU A 89 9.816 3.370 -2.382 1.00 72.23 H new ATOM 0 HG2 GLU A 89 8.504 3.883 -4.482 1.00 63.41 H new ATOM 0 HG3 GLU A 89 8.963 5.565 -4.308 1.00 63.41 H new ATOM 1404 N PHE A 90 8.103 2.781 -0.051 1.00 40.31 N ATOM 1405 CA PHE A 90 8.300 2.195 1.290 1.00 1.54 C ATOM 1406 C PHE A 90 8.599 0.682 1.190 1.00 23.43 C ATOM 1407 O PHE A 90 8.566 0.103 0.100 1.00 53.35 O ATOM 1408 CB PHE A 90 7.065 2.468 2.213 1.00 52.30 C ATOM 1409 CG PHE A 90 5.722 1.946 1.687 1.00 71.00 C ATOM 1410 CD1 PHE A 90 5.336 0.617 1.889 1.00 45.24 C ATOM 1411 CD2 PHE A 90 4.845 2.786 0.996 1.00 40.54 C ATOM 1412 CE1 PHE A 90 4.126 0.152 1.415 1.00 71.21 C ATOM 1413 CE2 PHE A 90 3.634 2.316 0.526 1.00 4.21 C ATOM 1414 CZ PHE A 90 3.275 1.001 0.734 1.00 33.11 C ATOM 0 H PHE A 90 7.830 2.095 -0.755 1.00 40.31 H new ATOM 0 HA PHE A 90 9.164 2.679 1.745 1.00 1.54 H new ATOM 0 HB2 PHE A 90 7.254 2.017 3.187 1.00 52.30 H new ATOM 0 HB3 PHE A 90 6.981 3.543 2.370 1.00 52.30 H new ATOM 0 HD1 PHE A 90 5.993 -0.054 2.423 1.00 45.24 H new ATOM 0 HD2 PHE A 90 5.118 3.817 0.827 1.00 40.54 H new ATOM 0 HE1 PHE A 90 3.844 -0.878 1.577 1.00 71.21 H new ATOM 0 HE2 PHE A 90 2.967 2.979 -0.005 1.00 4.21 H new ATOM 0 HZ PHE A 90 2.329 0.635 0.365 1.00 33.11 H new ATOM 1424 N ASP A 91 8.902 0.065 2.342 1.00 30.33 N ATOM 1425 CA ASP A 91 9.079 -1.394 2.467 1.00 14.41 C ATOM 1426 C ASP A 91 8.011 -1.989 3.407 1.00 74.33 C ATOM 1427 O ASP A 91 7.695 -1.401 4.447 1.00 14.00 O ATOM 1428 CB ASP A 91 10.484 -1.728 3.003 1.00 51.22 C ATOM 1429 CG ASP A 91 11.606 -1.199 2.106 1.00 12.11 C ATOM 1430 OD1 ASP A 91 11.848 -1.778 1.021 1.00 72.11 O ATOM 1431 OD2 ASP A 91 12.250 -0.197 2.475 1.00 44.42 O ATOM 0 H ASP A 91 9.033 0.566 3.221 1.00 30.33 H new ATOM 0 HA ASP A 91 8.966 -1.833 1.476 1.00 14.41 H new ATOM 0 HB2 ASP A 91 10.596 -1.307 4.002 1.00 51.22 H new ATOM 0 HB3 ASP A 91 10.583 -2.809 3.100 1.00 51.22 H new ATOM 1436 N ASP A 92 7.482 -3.154 3.026 1.00 31.54 N ATOM 1437 CA ASP A 92 6.507 -3.930 3.819 1.00 53.21 C ATOM 1438 C ASP A 92 6.833 -5.454 3.722 1.00 11.23 C ATOM 1439 O ASP A 92 7.973 -5.829 3.413 1.00 10.13 O ATOM 1440 CB ASP A 92 5.068 -3.586 3.337 1.00 44.44 C ATOM 1441 CG ASP A 92 4.827 -3.914 1.853 1.00 55.04 C ATOM 1442 OD1 ASP A 92 5.368 -3.196 0.979 1.00 34.22 O ATOM 1443 OD2 ASP A 92 4.115 -4.901 1.564 1.00 50.21 O ATOM 0 H ASP A 92 7.720 -3.599 2.140 1.00 31.54 H new ATOM 0 HA ASP A 92 6.572 -3.664 4.874 1.00 53.21 H new ATOM 0 HB2 ASP A 92 4.348 -4.135 3.944 1.00 44.44 H new ATOM 0 HB3 ASP A 92 4.881 -2.525 3.502 1.00 44.44 H new ATOM 1448 N GLY A 93 5.848 -6.330 4.009 1.00 40.31 N ATOM 1449 CA GLY A 93 6.078 -7.790 4.085 1.00 4.45 C ATOM 1450 C GLY A 93 5.544 -8.399 5.390 1.00 52.11 C ATOM 1451 O GLY A 93 5.767 -9.585 5.654 1.00 74.31 O ATOM 0 H GLY A 93 4.884 -6.052 4.192 1.00 40.31 H new ATOM 0 HA2 GLY A 93 5.596 -8.276 3.237 1.00 4.45 H new ATOM 0 HA3 GLY A 93 7.146 -7.992 4.003 1.00 4.45 H new ATOM 1455 N PHE A 94 4.883 -7.541 6.221 1.00 63.42 N ATOM 1456 CA PHE A 94 4.154 -7.932 7.473 1.00 60.42 C ATOM 1457 C PHE A 94 5.129 -8.202 8.644 1.00 64.40 C ATOM 1458 O PHE A 94 6.310 -8.495 8.433 1.00 24.31 O ATOM 1459 CB PHE A 94 3.185 -9.141 7.270 1.00 50.14 C ATOM 1460 CG PHE A 94 2.065 -8.890 6.261 1.00 44.21 C ATOM 1461 CD1 PHE A 94 0.964 -8.104 6.603 1.00 35.51 C ATOM 1462 CD2 PHE A 94 2.115 -9.432 4.974 1.00 75.24 C ATOM 1463 CE1 PHE A 94 -0.053 -7.874 5.696 1.00 34.21 C ATOM 1464 CE2 PHE A 94 1.098 -9.204 4.069 1.00 21.04 C ATOM 1465 CZ PHE A 94 0.014 -8.424 4.429 1.00 55.55 C ATOM 0 H PHE A 94 4.839 -6.538 6.039 1.00 63.42 H new ATOM 0 HA PHE A 94 3.535 -7.073 7.732 1.00 60.42 H new ATOM 0 HB2 PHE A 94 3.765 -10.005 6.944 1.00 50.14 H new ATOM 0 HB3 PHE A 94 2.740 -9.400 8.231 1.00 50.14 H new ATOM 0 HD1 PHE A 94 0.906 -7.669 7.590 1.00 35.51 H new ATOM 0 HD2 PHE A 94 2.961 -10.037 4.683 1.00 75.24 H new ATOM 0 HE1 PHE A 94 -0.900 -7.265 5.977 1.00 34.21 H new ATOM 0 HE2 PHE A 94 1.149 -9.635 3.080 1.00 21.04 H new ATOM 0 HZ PHE A 94 -0.781 -8.244 3.720 1.00 55.55 H new ATOM 1475 N ALA A 95 4.625 -8.103 9.890 1.00 24.44 N ATOM 1476 CA ALA A 95 5.470 -8.174 11.106 1.00 60.15 C ATOM 1477 C ALA A 95 4.994 -9.255 12.102 1.00 51.13 C ATOM 1478 O ALA A 95 3.799 -9.415 12.357 1.00 23.14 O ATOM 1479 CB ALA A 95 5.520 -6.802 11.801 1.00 13.13 C ATOM 0 H ALA A 95 3.632 -7.973 10.085 1.00 24.44 H new ATOM 0 HA ALA A 95 6.470 -8.458 10.779 1.00 60.15 H new ATOM 0 HB1 ALA A 95 6.144 -6.868 12.692 1.00 13.13 H new ATOM 0 HB2 ALA A 95 5.940 -6.063 11.118 1.00 13.13 H new ATOM 0 HB3 ALA A 95 4.512 -6.501 12.085 1.00 13.13 H new ATOM 1485 N ASP A 96 5.976 -9.998 12.626 1.00 74.41 N ATOM 1486 CA ASP A 96 5.854 -10.855 13.824 1.00 63.25 C ATOM 1487 C ASP A 96 5.248 -10.074 15.042 1.00 64.44 C ATOM 1488 O ASP A 96 5.258 -8.845 15.064 1.00 41.02 O ATOM 1489 CB ASP A 96 7.282 -11.416 14.126 1.00 12.41 C ATOM 1490 CG ASP A 96 7.494 -11.907 15.564 1.00 73.33 C ATOM 1491 OD1 ASP A 96 7.001 -12.997 15.910 1.00 21.51 O ATOM 1492 OD2 ASP A 96 8.131 -11.182 16.358 1.00 4.33 O ATOM 0 H ASP A 96 6.911 -10.024 12.218 1.00 74.41 H new ATOM 0 HA ASP A 96 5.159 -11.675 13.643 1.00 63.25 H new ATOM 0 HB2 ASP A 96 7.484 -12.241 13.443 1.00 12.41 H new ATOM 0 HB3 ASP A 96 8.015 -10.638 13.912 1.00 12.41 H new ATOM 1497 N GLU A 97 4.748 -10.821 16.056 1.00 54.21 N ATOM 1498 CA GLU A 97 4.084 -10.268 17.276 1.00 60.42 C ATOM 1499 C GLU A 97 4.885 -9.130 17.994 1.00 35.14 C ATOM 1500 O GLU A 97 4.287 -8.280 18.669 1.00 62.13 O ATOM 1501 CB GLU A 97 3.816 -11.430 18.276 1.00 21.51 C ATOM 1502 CG GLU A 97 5.094 -12.122 18.798 1.00 60.32 C ATOM 1503 CD GLU A 97 4.833 -13.260 19.797 1.00 11.04 C ATOM 1504 OE1 GLU A 97 4.661 -12.975 21.000 1.00 52.21 O ATOM 1505 OE2 GLU A 97 4.826 -14.442 19.392 1.00 3.24 O ATOM 0 H GLU A 97 4.792 -11.840 16.056 1.00 54.21 H new ATOM 0 HA GLU A 97 3.156 -9.806 16.938 1.00 60.42 H new ATOM 0 HB2 GLU A 97 3.254 -11.041 19.125 1.00 21.51 H new ATOM 0 HB3 GLU A 97 3.185 -12.175 17.790 1.00 21.51 H new ATOM 0 HG2 GLU A 97 5.650 -12.520 17.949 1.00 60.32 H new ATOM 0 HG3 GLU A 97 5.729 -11.375 19.274 1.00 60.32 H new ATOM 1512 N HIS A 98 6.228 -9.122 17.844 1.00 61.24 N ATOM 1513 CA HIS A 98 7.114 -8.124 18.501 1.00 15.42 C ATOM 1514 C HIS A 98 7.394 -6.895 17.595 1.00 10.31 C ATOM 1515 O HIS A 98 7.764 -5.823 18.093 1.00 42.24 O ATOM 1516 CB HIS A 98 8.450 -8.797 18.930 1.00 13.02 C ATOM 1517 CG HIS A 98 8.275 -10.036 19.779 1.00 64.55 C ATOM 1518 ND1 HIS A 98 7.822 -9.998 21.077 1.00 0.34 N ATOM 1519 CD2 HIS A 98 8.470 -11.350 19.502 1.00 60.22 C ATOM 1520 CE1 HIS A 98 7.743 -11.223 21.559 1.00 24.13 C ATOM 1521 NE2 HIS A 98 8.133 -12.060 20.627 1.00 20.11 N ATOM 0 H HIS A 98 6.729 -9.800 17.270 1.00 61.24 H new ATOM 0 HA HIS A 98 6.592 -7.757 19.384 1.00 15.42 H new ATOM 0 HB2 HIS A 98 9.015 -9.060 18.036 1.00 13.02 H new ATOM 0 HB3 HIS A 98 9.048 -8.072 19.483 1.00 13.02 H new ATOM 0 HD2 HIS A 98 8.825 -11.761 18.569 1.00 60.22 H new ATOM 0 HE1 HIS A 98 7.413 -11.491 22.552 1.00 24.13 H new ATOM 0 HE2 HIS A 98 8.178 -13.074 20.723 1.00 20.11 H new ATOM 1530 N GLY A 99 7.176 -7.045 16.275 1.00 2.43 N ATOM 1531 CA GLY A 99 7.473 -5.980 15.291 1.00 11.11 C ATOM 1532 C GLY A 99 8.663 -6.289 14.380 1.00 33.44 C ATOM 1533 O GLY A 99 9.153 -5.404 13.669 1.00 21.15 O ATOM 0 H GLY A 99 6.794 -7.896 15.862 1.00 2.43 H new ATOM 0 HA2 GLY A 99 6.590 -5.813 14.674 1.00 11.11 H new ATOM 0 HA3 GLY A 99 7.669 -5.050 15.825 1.00 11.11 H new ATOM 1537 N ALA A 100 9.115 -7.553 14.393 1.00 0.13 N ATOM 1538 CA ALA A 100 10.198 -8.035 13.512 1.00 63.03 C ATOM 1539 C ALA A 100 9.620 -8.429 12.128 1.00 42.33 C ATOM 1540 O ALA A 100 8.555 -9.034 12.083 1.00 72.42 O ATOM 1541 CB ALA A 100 10.911 -9.232 14.165 1.00 2.13 C ATOM 0 H ALA A 100 8.742 -8.272 15.013 1.00 0.13 H new ATOM 0 HA ALA A 100 10.925 -7.236 13.367 1.00 63.03 H new ATOM 0 HB1 ALA A 100 11.708 -9.582 13.510 1.00 2.13 H new ATOM 0 HB2 ALA A 100 11.335 -8.925 15.121 1.00 2.13 H new ATOM 0 HB3 ALA A 100 10.195 -10.038 14.328 1.00 2.13 H new ATOM 1547 N PRO A 101 10.288 -8.074 10.979 1.00 2.42 N ATOM 1548 CA PRO A 101 9.829 -8.496 9.625 1.00 55.22 C ATOM 1549 C PRO A 101 9.671 -10.035 9.503 1.00 21.35 C ATOM 1550 O PRO A 101 10.619 -10.778 9.804 1.00 71.12 O ATOM 1551 CB PRO A 101 10.953 -7.972 8.682 1.00 52.22 C ATOM 1552 CG PRO A 101 11.564 -6.829 9.436 1.00 53.41 C ATOM 1553 CD PRO A 101 11.515 -7.233 10.897 1.00 51.34 C ATOM 0 HA PRO A 101 8.842 -8.100 9.386 1.00 55.22 H new ATOM 0 HB2 PRO A 101 11.689 -8.748 8.470 1.00 52.22 H new ATOM 0 HB3 PRO A 101 10.549 -7.646 7.724 1.00 52.22 H new ATOM 0 HG2 PRO A 101 12.589 -6.650 9.113 1.00 53.41 H new ATOM 0 HG3 PRO A 101 11.010 -5.906 9.266 1.00 53.41 H new ATOM 0 HD2 PRO A 101 12.405 -7.790 11.190 1.00 51.34 H new ATOM 0 HD3 PRO A 101 11.452 -6.365 11.553 1.00 51.34 H new ATOM 1561 N VAL A 102 8.468 -10.498 9.098 1.00 74.23 N ATOM 1562 CA VAL A 102 8.194 -11.938 8.878 1.00 61.24 C ATOM 1563 C VAL A 102 9.125 -12.483 7.770 1.00 15.21 C ATOM 1564 O VAL A 102 8.947 -12.179 6.591 1.00 55.52 O ATOM 1565 CB VAL A 102 6.681 -12.202 8.512 1.00 12.04 C ATOM 1566 CG1 VAL A 102 6.411 -13.699 8.200 1.00 51.31 C ATOM 1567 CG2 VAL A 102 5.747 -11.717 9.639 1.00 20.14 C ATOM 0 H VAL A 102 7.667 -9.893 8.916 1.00 74.23 H new ATOM 0 HA VAL A 102 8.394 -12.465 9.811 1.00 61.24 H new ATOM 0 HB VAL A 102 6.469 -11.630 7.609 1.00 12.04 H new ATOM 0 HG11 VAL A 102 5.358 -13.835 7.953 1.00 51.31 H new ATOM 0 HG12 VAL A 102 7.025 -14.011 7.355 1.00 51.31 H new ATOM 0 HG13 VAL A 102 6.660 -14.303 9.072 1.00 51.31 H new ATOM 0 HG21 VAL A 102 4.711 -11.911 9.361 1.00 20.14 H new ATOM 0 HG22 VAL A 102 5.982 -12.250 10.560 1.00 20.14 H new ATOM 0 HG23 VAL A 102 5.887 -10.647 9.793 1.00 20.14 H new ATOM 1577 N ASP A 103 10.135 -13.261 8.193 1.00 12.02 N ATOM 1578 CA ASP A 103 11.204 -13.775 7.316 1.00 4.24 C ATOM 1579 C ASP A 103 10.630 -14.779 6.285 1.00 44.32 C ATOM 1580 O ASP A 103 11.137 -14.896 5.168 1.00 31.34 O ATOM 1581 CB ASP A 103 12.305 -14.427 8.195 1.00 13.40 C ATOM 1582 CG ASP A 103 13.579 -14.790 7.414 1.00 32.22 C ATOM 1583 OD1 ASP A 103 14.442 -13.912 7.233 1.00 42.44 O ATOM 1584 OD2 ASP A 103 13.713 -15.951 6.970 1.00 23.02 O ATOM 0 H ASP A 103 10.235 -13.555 9.165 1.00 12.02 H new ATOM 0 HA ASP A 103 11.644 -12.954 6.751 1.00 4.24 H new ATOM 0 HB2 ASP A 103 12.566 -13.743 9.003 1.00 13.40 H new ATOM 0 HB3 ASP A 103 11.903 -15.328 8.658 1.00 13.40 H new ATOM 1589 N GLU A 104 9.556 -15.478 6.694 1.00 42.40 N ATOM 1590 CA GLU A 104 8.786 -16.392 5.829 1.00 70.12 C ATOM 1591 C GLU A 104 8.176 -15.646 4.608 1.00 4.51 C ATOM 1592 O GLU A 104 8.224 -16.133 3.472 1.00 53.43 O ATOM 1593 CB GLU A 104 7.664 -17.059 6.669 1.00 11.33 C ATOM 1594 CG GLU A 104 6.875 -18.147 5.926 1.00 44.31 C ATOM 1595 CD GLU A 104 5.715 -18.729 6.754 1.00 40.14 C ATOM 1596 OE1 GLU A 104 5.952 -19.623 7.593 1.00 23.20 O ATOM 1597 OE2 GLU A 104 4.562 -18.285 6.578 1.00 71.41 O ATOM 0 H GLU A 104 9.193 -15.424 7.646 1.00 42.40 H new ATOM 0 HA GLU A 104 9.461 -17.154 5.439 1.00 70.12 H new ATOM 0 HB2 GLU A 104 8.108 -17.496 7.563 1.00 11.33 H new ATOM 0 HB3 GLU A 104 6.970 -16.288 7.002 1.00 11.33 H new ATOM 0 HG2 GLU A 104 6.478 -17.730 5.000 1.00 44.31 H new ATOM 0 HG3 GLU A 104 7.554 -18.953 5.648 1.00 44.31 H new ATOM 1604 N LEU A 105 7.612 -14.452 4.873 1.00 2.51 N ATOM 1605 CA LEU A 105 7.007 -13.581 3.835 1.00 52.13 C ATOM 1606 C LEU A 105 8.038 -12.593 3.234 1.00 35.32 C ATOM 1607 O LEU A 105 7.725 -11.897 2.267 1.00 53.24 O ATOM 1608 CB LEU A 105 5.806 -12.801 4.441 1.00 72.10 C ATOM 1609 CG LEU A 105 4.603 -13.676 4.920 1.00 1.31 C ATOM 1610 CD1 LEU A 105 3.502 -12.819 5.582 1.00 34.13 C ATOM 1611 CD2 LEU A 105 4.035 -14.512 3.754 1.00 24.54 C ATOM 0 H LEU A 105 7.561 -14.059 5.813 1.00 2.51 H new ATOM 0 HA LEU A 105 6.659 -14.220 3.024 1.00 52.13 H new ATOM 0 HB2 LEU A 105 6.166 -12.216 5.287 1.00 72.10 H new ATOM 0 HB3 LEU A 105 5.443 -12.093 3.696 1.00 72.10 H new ATOM 0 HG LEU A 105 4.976 -14.363 5.679 1.00 1.31 H new ATOM 0 HD11 LEU A 105 2.683 -13.463 5.902 1.00 34.13 H new ATOM 0 HD12 LEU A 105 3.915 -12.301 6.447 1.00 34.13 H new ATOM 0 HD13 LEU A 105 3.130 -12.087 4.865 1.00 34.13 H new ATOM 0 HD21 LEU A 105 3.199 -15.113 4.111 1.00 24.54 H new ATOM 0 HD22 LEU A 105 3.692 -13.846 2.962 1.00 24.54 H new ATOM 0 HD23 LEU A 105 4.813 -15.168 3.364 1.00 24.54 H new ATOM 1623 N GLY A 106 9.241 -12.522 3.846 1.00 73.50 N ATOM 1624 CA GLY A 106 10.352 -11.686 3.354 1.00 32.04 C ATOM 1625 C GLY A 106 10.110 -10.170 3.477 1.00 10.12 C ATOM 1626 O GLY A 106 9.202 -9.722 4.183 1.00 13.41 O ATOM 0 H GLY A 106 9.466 -13.043 4.694 1.00 73.50 H new ATOM 0 HA2 GLY A 106 11.256 -11.943 3.906 1.00 32.04 H new ATOM 0 HA3 GLY A 106 10.537 -11.928 2.308 1.00 32.04 H new ATOM 1630 N VAL A 107 10.959 -9.385 2.792 1.00 61.34 N ATOM 1631 CA VAL A 107 10.816 -7.912 2.678 1.00 34.44 C ATOM 1632 C VAL A 107 10.578 -7.531 1.198 1.00 3.50 C ATOM 1633 O VAL A 107 11.274 -8.016 0.298 1.00 13.00 O ATOM 1634 CB VAL A 107 12.091 -7.165 3.241 1.00 30.32 C ATOM 1635 CG1 VAL A 107 12.033 -5.631 2.977 1.00 24.23 C ATOM 1636 CG2 VAL A 107 12.271 -7.455 4.755 1.00 32.01 C ATOM 0 H VAL A 107 11.772 -9.751 2.296 1.00 61.34 H new ATOM 0 HA VAL A 107 9.961 -7.599 3.277 1.00 34.44 H new ATOM 0 HB VAL A 107 12.957 -7.553 2.705 1.00 30.32 H new ATOM 0 HG11 VAL A 107 12.929 -5.158 3.380 1.00 24.23 H new ATOM 0 HG12 VAL A 107 11.978 -5.448 1.904 1.00 24.23 H new ATOM 0 HG13 VAL A 107 11.152 -5.211 3.462 1.00 24.23 H new ATOM 0 HG21 VAL A 107 13.154 -6.932 5.123 1.00 32.01 H new ATOM 0 HG22 VAL A 107 11.392 -7.110 5.299 1.00 32.01 H new ATOM 0 HG23 VAL A 107 12.394 -8.527 4.908 1.00 32.01 H new ATOM 1646 N THR A 108 9.577 -6.672 0.958 1.00 15.43 N ATOM 1647 CA THR A 108 9.225 -6.170 -0.392 1.00 62.20 C ATOM 1648 C THR A 108 9.133 -4.635 -0.390 1.00 21.15 C ATOM 1649 O THR A 108 8.912 -4.029 0.650 1.00 14.14 O ATOM 1650 CB THR A 108 7.888 -6.783 -0.917 1.00 44.43 C ATOM 1651 OG1 THR A 108 7.572 -6.254 -2.218 1.00 73.12 O ATOM 1652 CG2 THR A 108 6.705 -6.546 0.039 1.00 41.04 C ATOM 0 H THR A 108 8.980 -6.299 1.696 1.00 15.43 H new ATOM 0 HA THR A 108 10.021 -6.483 -1.067 1.00 62.20 H new ATOM 0 HB THR A 108 8.043 -7.860 -0.980 1.00 44.43 H new ATOM 0 HG1 THR A 108 6.618 -6.034 -2.259 1.00 73.12 H new ATOM 0 HG21 THR A 108 5.804 -6.994 -0.379 1.00 41.04 H new ATOM 0 HG22 THR A 108 6.922 -7.001 1.006 1.00 41.04 H new ATOM 0 HG23 THR A 108 6.551 -5.475 0.168 1.00 41.04 H new ATOM 1660 N HIS A 109 9.321 -4.021 -1.564 1.00 31.40 N ATOM 1661 CA HIS A 109 9.385 -2.551 -1.708 1.00 13.15 C ATOM 1662 C HIS A 109 8.206 -2.038 -2.574 1.00 21.34 C ATOM 1663 O HIS A 109 8.245 -2.132 -3.803 1.00 25.04 O ATOM 1664 CB HIS A 109 10.754 -2.177 -2.333 1.00 31.32 C ATOM 1665 CG HIS A 109 11.075 -0.700 -2.339 1.00 70.10 C ATOM 1666 ND1 HIS A 109 11.993 -0.132 -1.487 1.00 52.42 N ATOM 1667 CD2 HIS A 109 10.648 0.311 -3.133 1.00 11.42 C ATOM 1668 CE1 HIS A 109 12.116 1.144 -1.759 1.00 61.42 C ATOM 1669 NE2 HIS A 109 11.316 1.443 -2.752 1.00 50.02 N ATOM 0 H HIS A 109 9.434 -4.524 -2.444 1.00 31.40 H new ATOM 0 HA HIS A 109 9.296 -2.074 -0.732 1.00 13.15 H new ATOM 0 HB2 HIS A 109 11.540 -2.701 -1.789 1.00 31.32 H new ATOM 0 HB3 HIS A 109 10.779 -2.542 -3.360 1.00 31.32 H new ATOM 0 HD1 HIS A 109 12.501 -0.628 -0.755 1.00 52.42 H new ATOM 0 HD2 HIS A 109 9.915 0.237 -3.922 1.00 11.42 H new ATOM 0 HE1 HIS A 109 12.770 1.836 -1.248 1.00 61.42 H new ATOM 1678 N ALA A 110 7.171 -1.472 -1.928 1.00 32.02 N ATOM 1679 CA ALA A 110 5.967 -0.967 -2.629 1.00 41.33 C ATOM 1680 C ALA A 110 6.111 0.535 -2.987 1.00 21.21 C ATOM 1681 O ALA A 110 6.454 1.365 -2.136 1.00 2.11 O ATOM 1682 CB ALA A 110 4.713 -1.224 -1.789 1.00 23.25 C ATOM 0 H ALA A 110 7.141 -1.350 -0.916 1.00 32.02 H new ATOM 0 HA ALA A 110 5.865 -1.513 -3.567 1.00 41.33 H new ATOM 0 HB1 ALA A 110 3.837 -0.847 -2.318 1.00 23.25 H new ATOM 0 HB2 ALA A 110 4.602 -2.295 -1.620 1.00 23.25 H new ATOM 0 HB3 ALA A 110 4.806 -0.713 -0.831 1.00 23.25 H new ATOM 1688 N THR A 111 5.812 0.867 -4.255 1.00 74.32 N ATOM 1689 CA THR A 111 6.001 2.217 -4.832 1.00 33.10 C ATOM 1690 C THR A 111 4.639 2.840 -5.178 1.00 25.25 C ATOM 1691 O THR A 111 4.005 2.438 -6.148 1.00 33.13 O ATOM 1692 CB THR A 111 6.879 2.148 -6.135 1.00 20.33 C ATOM 1693 OG1 THR A 111 8.159 1.557 -5.831 1.00 21.51 O ATOM 1694 CG2 THR A 111 7.085 3.533 -6.794 1.00 25.04 C ATOM 0 H THR A 111 5.426 0.198 -4.921 1.00 74.32 H new ATOM 0 HA THR A 111 6.510 2.832 -4.090 1.00 33.10 H new ATOM 0 HB THR A 111 6.339 1.530 -6.852 1.00 20.33 H new ATOM 0 HG1 THR A 111 8.702 1.515 -6.646 1.00 21.51 H new ATOM 0 HG21 THR A 111 7.698 3.423 -7.688 1.00 25.04 H new ATOM 0 HG22 THR A 111 6.117 3.954 -7.067 1.00 25.04 H new ATOM 0 HG23 THR A 111 7.585 4.200 -6.091 1.00 25.04 H new ATOM 1702 N VAL A 112 4.209 3.840 -4.405 1.00 13.02 N ATOM 1703 CA VAL A 112 2.952 4.572 -4.656 1.00 2.24 C ATOM 1704 C VAL A 112 3.229 5.796 -5.551 1.00 12.22 C ATOM 1705 O VAL A 112 4.079 6.620 -5.245 1.00 13.41 O ATOM 1706 CB VAL A 112 2.282 5.031 -3.316 1.00 51.34 C ATOM 1707 CG1 VAL A 112 0.968 5.819 -3.573 1.00 23.54 C ATOM 1708 CG2 VAL A 112 2.047 3.818 -2.385 1.00 75.43 C ATOM 0 H VAL A 112 4.718 4.170 -3.585 1.00 13.02 H new ATOM 0 HA VAL A 112 2.263 3.897 -5.164 1.00 2.24 H new ATOM 0 HB VAL A 112 2.966 5.715 -2.813 1.00 51.34 H new ATOM 0 HG11 VAL A 112 0.532 6.121 -2.620 1.00 23.54 H new ATOM 0 HG12 VAL A 112 1.186 6.705 -4.169 1.00 23.54 H new ATOM 0 HG13 VAL A 112 0.263 5.185 -4.110 1.00 23.54 H new ATOM 0 HG21 VAL A 112 1.581 4.155 -1.459 1.00 75.43 H new ATOM 0 HG22 VAL A 112 1.393 3.101 -2.880 1.00 75.43 H new ATOM 0 HG23 VAL A 112 3.001 3.343 -2.159 1.00 75.43 H new ATOM 1718 N LYS A 113 2.510 5.890 -6.664 1.00 73.13 N ATOM 1719 CA LYS A 113 2.705 6.944 -7.676 1.00 24.24 C ATOM 1720 C LYS A 113 1.391 7.680 -7.971 1.00 12.20 C ATOM 1721 O LYS A 113 0.360 7.053 -8.175 1.00 61.25 O ATOM 1722 CB LYS A 113 3.286 6.289 -8.957 1.00 50.01 C ATOM 1723 CG LYS A 113 4.817 6.056 -8.916 1.00 21.21 C ATOM 1724 CD LYS A 113 5.319 5.003 -9.943 1.00 14.21 C ATOM 1725 CE LYS A 113 4.597 5.042 -11.312 1.00 1.02 C ATOM 1726 NZ LYS A 113 4.635 6.384 -11.946 1.00 43.21 N ATOM 0 H LYS A 113 1.765 5.234 -6.900 1.00 73.13 H new ATOM 0 HA LYS A 113 3.403 7.692 -7.299 1.00 24.24 H new ATOM 0 HB2 LYS A 113 2.789 5.333 -9.119 1.00 50.01 H new ATOM 0 HB3 LYS A 113 3.049 6.921 -9.813 1.00 50.01 H new ATOM 0 HG2 LYS A 113 5.324 7.003 -9.103 1.00 21.21 H new ATOM 0 HG3 LYS A 113 5.100 5.735 -7.913 1.00 21.21 H new ATOM 0 HD2 LYS A 113 6.386 5.154 -10.106 1.00 14.21 H new ATOM 0 HD3 LYS A 113 5.199 4.009 -9.512 1.00 14.21 H new ATOM 0 HE2 LYS A 113 5.058 4.316 -11.981 1.00 1.02 H new ATOM 0 HE3 LYS A 113 3.559 4.738 -11.179 1.00 1.02 H new ATOM 0 HZ1 LYS A 113 4.845 6.283 -12.960 1.00 43.21 H new ATOM 0 HZ2 LYS A 113 3.713 6.850 -11.828 1.00 43.21 H new ATOM 0 HZ3 LYS A 113 5.374 6.960 -11.495 1.00 43.21 H new ATOM 1740 N LEU A 114 1.449 9.023 -7.980 1.00 71.22 N ATOM 1741 CA LEU A 114 0.303 9.889 -8.310 1.00 32.51 C ATOM 1742 C LEU A 114 0.614 10.723 -9.566 1.00 0.20 C ATOM 1743 O LEU A 114 1.511 11.569 -9.558 1.00 14.44 O ATOM 1744 CB LEU A 114 -0.072 10.800 -7.114 1.00 43.31 C ATOM 1745 CG LEU A 114 -0.582 10.069 -5.832 1.00 61.34 C ATOM 1746 CD1 LEU A 114 -0.842 11.060 -4.688 1.00 40.13 C ATOM 1747 CD2 LEU A 114 -1.845 9.246 -6.136 1.00 42.40 C ATOM 0 H LEU A 114 2.298 9.542 -7.757 1.00 71.22 H new ATOM 0 HA LEU A 114 -0.559 9.256 -8.520 1.00 32.51 H new ATOM 0 HB2 LEU A 114 0.802 11.393 -6.847 1.00 43.31 H new ATOM 0 HB3 LEU A 114 -0.843 11.498 -7.442 1.00 43.31 H new ATOM 0 HG LEU A 114 0.203 9.385 -5.508 1.00 61.34 H new ATOM 0 HD11 LEU A 114 -1.196 10.518 -3.811 1.00 40.13 H new ATOM 0 HD12 LEU A 114 0.082 11.583 -4.443 1.00 40.13 H new ATOM 0 HD13 LEU A 114 -1.597 11.783 -4.997 1.00 40.13 H new ATOM 0 HD21 LEU A 114 -2.181 8.746 -5.227 1.00 42.40 H new ATOM 0 HD22 LEU A 114 -2.632 9.908 -6.498 1.00 42.40 H new ATOM 0 HD23 LEU A 114 -1.619 8.500 -6.898 1.00 42.40 H new ATOM 1759 N GLU A 115 -0.138 10.472 -10.642 1.00 50.13 N ATOM 1760 CA GLU A 115 0.031 11.158 -11.935 1.00 45.41 C ATOM 1761 C GLU A 115 -1.071 12.234 -12.090 1.00 34.41 C ATOM 1762 O GLU A 115 -2.264 11.900 -12.063 1.00 63.33 O ATOM 1763 CB GLU A 115 -0.047 10.138 -13.108 1.00 33.13 C ATOM 1764 CG GLU A 115 1.179 9.200 -13.278 1.00 63.11 C ATOM 1765 CD GLU A 115 1.486 8.285 -12.072 1.00 0.41 C ATOM 1766 OE1 GLU A 115 0.640 7.418 -11.736 1.00 71.43 O ATOM 1767 OE2 GLU A 115 2.577 8.416 -11.468 1.00 75.33 O ATOM 0 H GLU A 115 -0.889 9.782 -10.644 1.00 50.13 H new ATOM 0 HA GLU A 115 1.011 11.634 -11.962 1.00 45.41 H new ATOM 0 HB2 GLU A 115 -0.935 9.521 -12.968 1.00 33.13 H new ATOM 0 HB3 GLU A 115 -0.187 10.692 -14.036 1.00 33.13 H new ATOM 0 HG2 GLU A 115 1.017 8.574 -14.155 1.00 63.11 H new ATOM 0 HG3 GLU A 115 2.058 9.812 -13.481 1.00 63.11 H new ATOM 1774 N PRO A 116 -0.690 13.551 -12.218 1.00 14.40 N ATOM 1775 CA PRO A 116 -1.664 14.657 -12.394 1.00 21.23 C ATOM 1776 C PRO A 116 -2.408 14.577 -13.746 1.00 44.14 C ATOM 1777 O PRO A 116 -1.865 14.958 -14.790 1.00 52.41 O ATOM 1778 CB PRO A 116 -0.793 15.950 -12.300 1.00 4.12 C ATOM 1779 CG PRO A 116 0.535 15.501 -11.751 1.00 64.34 C ATOM 1780 CD PRO A 116 0.705 14.064 -12.187 1.00 23.10 C ATOM 0 HA PRO A 116 -2.454 14.624 -11.643 1.00 21.23 H new ATOM 0 HB2 PRO A 116 -0.676 16.416 -13.278 1.00 4.12 H new ATOM 0 HB3 PRO A 116 -1.258 16.690 -11.648 1.00 4.12 H new ATOM 0 HG2 PRO A 116 1.345 16.123 -12.133 1.00 64.34 H new ATOM 0 HG3 PRO A 116 0.555 15.584 -10.664 1.00 64.34 H new ATOM 0 HD2 PRO A 116 1.182 13.994 -13.165 1.00 23.10 H new ATOM 0 HD3 PRO A 116 1.325 13.502 -11.489 1.00 23.10 H new ATOM 1788 N LEU A 117 -3.643 14.057 -13.725 1.00 55.32 N ATOM 1789 CA LEU A 117 -4.510 13.984 -14.929 1.00 23.13 C ATOM 1790 C LEU A 117 -5.397 15.246 -15.018 1.00 33.20 C ATOM 1791 O LEU A 117 -6.622 15.165 -15.214 1.00 15.43 O ATOM 1792 CB LEU A 117 -5.366 12.685 -14.878 1.00 73.42 C ATOM 1793 CG LEU A 117 -4.572 11.369 -14.588 1.00 10.10 C ATOM 1794 CD1 LEU A 117 -5.503 10.154 -14.494 1.00 43.22 C ATOM 1795 CD2 LEU A 117 -3.471 11.119 -15.633 1.00 61.32 C ATOM 0 H LEU A 117 -4.075 13.675 -12.884 1.00 55.32 H new ATOM 0 HA LEU A 117 -3.893 13.948 -15.827 1.00 23.13 H new ATOM 0 HB2 LEU A 117 -6.131 12.804 -14.111 1.00 73.42 H new ATOM 0 HB3 LEU A 117 -5.884 12.574 -15.830 1.00 73.42 H new ATOM 0 HG LEU A 117 -4.091 11.506 -13.620 1.00 10.10 H new ATOM 0 HD11 LEU A 117 -4.914 9.259 -14.292 1.00 43.22 H new ATOM 0 HD12 LEU A 117 -6.220 10.307 -13.687 1.00 43.22 H new ATOM 0 HD13 LEU A 117 -6.037 10.031 -15.436 1.00 43.22 H new ATOM 0 HD21 LEU A 117 -2.945 10.195 -15.393 1.00 61.32 H new ATOM 0 HD22 LEU A 117 -3.921 11.034 -16.622 1.00 61.32 H new ATOM 0 HD23 LEU A 117 -2.766 11.950 -15.625 1.00 61.32 H new ATOM 1807 N GLU A 118 -4.730 16.417 -14.874 1.00 14.24 N ATOM 1808 CA GLU A 118 -5.348 17.758 -14.906 1.00 65.14 C ATOM 1809 C GLU A 118 -6.329 17.954 -13.703 1.00 44.31 C ATOM 1810 O GLU A 118 -5.943 18.508 -12.665 1.00 60.14 O ATOM 1811 CB GLU A 118 -6.015 18.006 -16.304 1.00 55.50 C ATOM 1812 CG GLU A 118 -6.156 19.478 -16.744 1.00 35.21 C ATOM 1813 CD GLU A 118 -7.196 20.278 -15.947 1.00 34.50 C ATOM 1814 OE1 GLU A 118 -8.388 19.924 -16.015 1.00 52.34 O ATOM 1815 OE2 GLU A 118 -6.831 21.248 -15.250 1.00 2.23 O ATOM 0 H GLU A 118 -3.721 16.452 -14.729 1.00 14.24 H new ATOM 0 HA GLU A 118 -4.577 18.518 -14.784 1.00 65.14 H new ATOM 0 HB2 GLU A 118 -5.433 17.478 -17.059 1.00 55.50 H new ATOM 0 HB3 GLU A 118 -7.008 17.556 -16.294 1.00 55.50 H new ATOM 0 HG2 GLU A 118 -5.187 19.968 -16.649 1.00 35.21 H new ATOM 0 HG3 GLU A 118 -6.425 19.505 -17.800 1.00 35.21 H new ATOM 1822 N ASN A 119 -7.582 17.477 -13.846 1.00 23.54 N ATOM 1823 CA ASN A 119 -8.621 17.552 -12.780 1.00 2.31 C ATOM 1824 C ASN A 119 -8.722 16.220 -11.983 1.00 41.20 C ATOM 1825 O ASN A 119 -9.143 16.210 -10.824 1.00 53.32 O ATOM 1826 CB ASN A 119 -9.987 17.934 -13.413 1.00 14.31 C ATOM 1827 CG ASN A 119 -10.428 16.975 -14.522 1.00 1.24 C ATOM 1828 OD1 ASN A 119 -11.129 15.999 -14.279 1.00 21.04 O ATOM 1829 ND2 ASN A 119 -10.005 17.238 -15.747 1.00 30.42 N ATOM 0 H ASN A 119 -7.910 17.028 -14.701 1.00 23.54 H new ATOM 0 HA ASN A 119 -8.332 18.324 -12.067 1.00 2.31 H new ATOM 0 HB2 ASN A 119 -10.749 17.952 -12.634 1.00 14.31 H new ATOM 0 HB3 ASN A 119 -9.922 18.943 -13.819 1.00 14.31 H new ATOM 0 HD21 ASN A 119 -10.261 16.622 -16.518 1.00 30.42 H new ATOM 0 HD22 ASN A 119 -9.423 18.057 -15.921 1.00 30.42 H new ATOM 1836 N ARG A 120 -8.345 15.101 -12.632 1.00 13.50 N ATOM 1837 CA ARG A 120 -8.296 13.755 -11.998 1.00 53.12 C ATOM 1838 C ARG A 120 -6.843 13.375 -11.628 1.00 5.34 C ATOM 1839 O ARG A 120 -5.906 14.145 -11.867 1.00 74.34 O ATOM 1840 CB ARG A 120 -8.935 12.702 -12.957 1.00 15.00 C ATOM 1841 CG ARG A 120 -10.482 12.766 -13.022 1.00 5.33 C ATOM 1842 CD ARG A 120 -11.078 12.108 -14.285 1.00 22.01 C ATOM 1843 NE ARG A 120 -10.740 10.676 -14.448 1.00 14.21 N ATOM 1844 CZ ARG A 120 -11.478 9.806 -15.119 1.00 51.41 C ATOM 1845 NH1 ARG A 120 -12.638 10.138 -15.599 1.00 32.23 N ATOM 1846 NH2 ARG A 120 -11.051 8.605 -15.298 1.00 62.45 N ATOM 0 H ARG A 120 -8.064 15.098 -13.613 1.00 13.50 H new ATOM 0 HA ARG A 120 -8.871 13.774 -11.072 1.00 53.12 H new ATOM 0 HB2 ARG A 120 -8.533 12.848 -13.960 1.00 15.00 H new ATOM 0 HB3 ARG A 120 -8.636 11.704 -12.636 1.00 15.00 H new ATOM 0 HG2 ARG A 120 -10.894 12.277 -12.139 1.00 5.33 H new ATOM 0 HG3 ARG A 120 -10.796 13.809 -12.984 1.00 5.33 H new ATOM 0 HD2 ARG A 120 -12.163 12.211 -14.256 1.00 22.01 H new ATOM 0 HD3 ARG A 120 -10.729 12.653 -15.162 1.00 22.01 H new ATOM 0 HE ARG A 120 -9.881 10.337 -14.014 1.00 14.21 H new ATOM 0 HH11 ARG A 120 -12.995 11.084 -15.462 1.00 32.23 H new ATOM 0 HH12 ARG A 120 -13.192 9.453 -16.113 1.00 32.23 H new ATOM 0 HH21 ARG A 120 -10.145 8.325 -14.923 1.00 62.45 H new ATOM 0 HH22 ARG A 120 -11.619 7.934 -15.815 1.00 62.45 H new ATOM 1860 N THR A 121 -6.666 12.187 -11.019 1.00 42.40 N ATOM 1861 CA THR A 121 -5.331 11.666 -10.631 1.00 72.51 C ATOM 1862 C THR A 121 -5.285 10.123 -10.752 1.00 41.42 C ATOM 1863 O THR A 121 -6.281 9.435 -10.496 1.00 1.35 O ATOM 1864 CB THR A 121 -4.957 12.105 -9.166 1.00 3.34 C ATOM 1865 OG1 THR A 121 -4.953 13.539 -9.080 1.00 73.21 O ATOM 1866 CG2 THR A 121 -3.579 11.585 -8.711 1.00 12.32 C ATOM 0 H THR A 121 -7.436 11.561 -10.781 1.00 42.40 H new ATOM 0 HA THR A 121 -4.598 12.091 -11.316 1.00 72.51 H new ATOM 0 HB THR A 121 -5.710 11.669 -8.509 1.00 3.34 H new ATOM 0 HG1 THR A 121 -5.868 13.861 -8.941 1.00 73.21 H new ATOM 0 HG21 THR A 121 -3.381 11.922 -7.694 1.00 12.32 H new ATOM 0 HG22 THR A 121 -3.574 10.495 -8.740 1.00 12.32 H new ATOM 0 HG23 THR A 121 -2.807 11.969 -9.377 1.00 12.32 H new ATOM 1874 N ARG A 122 -4.108 9.602 -11.132 1.00 10.30 N ATOM 1875 CA ARG A 122 -3.833 8.156 -11.245 1.00 50.42 C ATOM 1876 C ARG A 122 -3.012 7.697 -10.024 1.00 32.02 C ATOM 1877 O ARG A 122 -2.005 8.318 -9.713 1.00 0.01 O ATOM 1878 CB ARG A 122 -3.002 7.889 -12.532 1.00 0.13 C ATOM 1879 CG ARG A 122 -2.647 6.398 -12.782 1.00 32.34 C ATOM 1880 CD ARG A 122 -3.701 5.670 -13.633 1.00 61.34 C ATOM 1881 NE ARG A 122 -3.610 6.064 -15.048 1.00 72.10 N ATOM 1882 CZ ARG A 122 -4.499 5.808 -15.976 1.00 12.41 C ATOM 1883 NH1 ARG A 122 -5.613 5.202 -15.697 1.00 24.03 N ATOM 1884 NH2 ARG A 122 -4.263 6.167 -17.191 1.00 51.02 N ATOM 0 H ARG A 122 -3.305 10.182 -11.374 1.00 10.30 H new ATOM 0 HA ARG A 122 -4.776 7.610 -11.289 1.00 50.42 H new ATOM 0 HB2 ARG A 122 -3.559 8.264 -13.391 1.00 0.13 H new ATOM 0 HB3 ARG A 122 -2.077 8.463 -12.476 1.00 0.13 H new ATOM 0 HG2 ARG A 122 -1.679 6.338 -13.280 1.00 32.34 H new ATOM 0 HG3 ARG A 122 -2.544 5.888 -11.824 1.00 32.34 H new ATOM 0 HD2 ARG A 122 -3.563 4.592 -13.544 1.00 61.34 H new ATOM 0 HD3 ARG A 122 -4.697 5.896 -13.254 1.00 61.34 H new ATOM 0 HE ARG A 122 -2.780 6.584 -15.332 1.00 72.10 H new ATOM 0 HH11 ARG A 122 -5.811 4.915 -14.739 1.00 24.03 H new ATOM 0 HH12 ARG A 122 -6.290 5.013 -16.436 1.00 24.03 H new ATOM 0 HH21 ARG A 122 -3.392 6.645 -17.422 1.00 51.02 H new ATOM 0 HH22 ARG A 122 -4.947 5.973 -17.922 1.00 51.02 H new ATOM 1898 N MET A 123 -3.431 6.619 -9.336 1.00 4.11 N ATOM 1899 CA MET A 123 -2.621 6.008 -8.260 1.00 14.15 C ATOM 1900 C MET A 123 -2.152 4.599 -8.679 1.00 34.22 C ATOM 1901 O MET A 123 -2.967 3.685 -8.828 1.00 13.44 O ATOM 1902 CB MET A 123 -3.394 5.931 -6.921 1.00 53.03 C ATOM 1903 CG MET A 123 -2.490 5.604 -5.714 1.00 51.41 C ATOM 1904 SD MET A 123 -3.413 5.171 -4.233 1.00 11.12 S ATOM 1905 CE MET A 123 -4.114 3.607 -4.746 1.00 15.42 C ATOM 0 H MET A 123 -4.323 6.153 -9.503 1.00 4.11 H new ATOM 0 HA MET A 123 -1.754 6.650 -8.103 1.00 14.15 H new ATOM 0 HB2 MET A 123 -3.896 6.882 -6.744 1.00 53.03 H new ATOM 0 HB3 MET A 123 -4.171 5.171 -7.001 1.00 53.03 H new ATOM 0 HG2 MET A 123 -1.829 4.778 -5.977 1.00 51.41 H new ATOM 0 HG3 MET A 123 -1.856 6.464 -5.500 1.00 51.41 H new ATOM 0 HE1 MET A 123 -4.460 3.058 -3.870 1.00 15.42 H new ATOM 0 HE2 MET A 123 -4.955 3.787 -5.416 1.00 15.42 H new ATOM 0 HE3 MET A 123 -3.356 3.021 -5.265 1.00 15.42 H new ATOM 1915 N THR A 124 -0.835 4.434 -8.866 1.00 54.54 N ATOM 1916 CA THR A 124 -0.225 3.145 -9.254 1.00 62.44 C ATOM 1917 C THR A 124 0.743 2.659 -8.149 1.00 55.11 C ATOM 1918 O THR A 124 1.753 3.316 -7.881 1.00 41.51 O ATOM 1919 CB THR A 124 0.541 3.281 -10.616 1.00 50.14 C ATOM 1920 OG1 THR A 124 -0.306 3.921 -11.591 1.00 4.21 O ATOM 1921 CG2 THR A 124 0.995 1.911 -11.163 1.00 43.33 C ATOM 0 H THR A 124 -0.158 5.189 -8.753 1.00 54.54 H new ATOM 0 HA THR A 124 -1.022 2.412 -9.377 1.00 62.44 H new ATOM 0 HB THR A 124 1.430 3.884 -10.431 1.00 50.14 H new ATOM 0 HG1 THR A 124 0.177 4.005 -12.439 1.00 4.21 H new ATOM 0 HG21 THR A 124 1.521 2.052 -12.107 1.00 43.33 H new ATOM 0 HG22 THR A 124 1.662 1.435 -10.444 1.00 43.33 H new ATOM 0 HG23 THR A 124 0.123 1.277 -11.325 1.00 43.33 H new ATOM 1929 N ILE A 125 0.421 1.521 -7.489 1.00 51.14 N ATOM 1930 CA ILE A 125 1.273 0.942 -6.415 1.00 73.22 C ATOM 1931 C ILE A 125 2.013 -0.322 -6.928 1.00 64.14 C ATOM 1932 O ILE A 125 1.371 -1.317 -7.256 1.00 23.21 O ATOM 1933 CB ILE A 125 0.443 0.566 -5.130 1.00 51.25 C ATOM 1934 CG1 ILE A 125 -0.490 1.741 -4.693 1.00 3.33 C ATOM 1935 CG2 ILE A 125 1.399 0.152 -3.970 1.00 32.35 C ATOM 1936 CD1 ILE A 125 -1.386 1.426 -3.502 1.00 31.43 C ATOM 0 H ILE A 125 -0.424 0.983 -7.680 1.00 51.14 H new ATOM 0 HA ILE A 125 1.995 1.712 -6.141 1.00 73.22 H new ATOM 0 HB ILE A 125 -0.194 -0.284 -5.374 1.00 51.25 H new ATOM 0 HG12 ILE A 125 0.126 2.606 -4.449 1.00 3.33 H new ATOM 0 HG13 ILE A 125 -1.117 2.024 -5.538 1.00 3.33 H new ATOM 0 HG21 ILE A 125 0.812 -0.105 -3.089 1.00 32.35 H new ATOM 0 HG22 ILE A 125 1.990 -0.711 -4.276 1.00 32.35 H new ATOM 0 HG23 ILE A 125 2.064 0.982 -3.733 1.00 32.35 H new ATOM 0 HD11 ILE A 125 -1.999 2.296 -3.268 1.00 31.43 H new ATOM 0 HD12 ILE A 125 -2.032 0.582 -3.746 1.00 31.43 H new ATOM 0 HD13 ILE A 125 -0.769 1.174 -2.639 1.00 31.43 H new ATOM 1948 N ILE A 126 3.364 -0.276 -6.976 1.00 72.40 N ATOM 1949 CA ILE A 126 4.202 -1.371 -7.529 1.00 60.21 C ATOM 1950 C ILE A 126 5.065 -2.022 -6.416 1.00 54.43 C ATOM 1951 O ILE A 126 5.984 -1.393 -5.896 1.00 33.32 O ATOM 1952 CB ILE A 126 5.168 -0.865 -8.678 1.00 33.31 C ATOM 1953 CG1 ILE A 126 4.418 -0.032 -9.782 1.00 14.11 C ATOM 1954 CG2 ILE A 126 5.920 -2.058 -9.306 1.00 13.34 C ATOM 1955 CD1 ILE A 126 4.205 1.435 -9.445 1.00 33.12 C ATOM 0 H ILE A 126 3.905 0.518 -6.634 1.00 72.40 H new ATOM 0 HA ILE A 126 3.511 -2.103 -7.947 1.00 60.21 H new ATOM 0 HB ILE A 126 5.888 -0.189 -8.218 1.00 33.31 H new ATOM 0 HG12 ILE A 126 4.983 -0.097 -10.712 1.00 14.11 H new ATOM 0 HG13 ILE A 126 3.447 -0.492 -9.966 1.00 14.11 H new ATOM 0 HG21 ILE A 126 6.581 -1.697 -10.094 1.00 13.34 H new ATOM 0 HG22 ILE A 126 6.510 -2.560 -8.539 1.00 13.34 H new ATOM 0 HG23 ILE A 126 5.201 -2.760 -9.728 1.00 13.34 H new ATOM 0 HD11 ILE A 126 3.681 1.924 -10.266 1.00 33.12 H new ATOM 0 HD12 ILE A 126 3.611 1.517 -8.535 1.00 33.12 H new ATOM 0 HD13 ILE A 126 5.171 1.917 -9.292 1.00 33.12 H new ATOM 1967 N SER A 127 4.803 -3.298 -6.102 1.00 13.34 N ATOM 1968 CA SER A 127 5.477 -4.018 -4.997 1.00 62.54 C ATOM 1969 C SER A 127 6.559 -4.954 -5.575 1.00 61.43 C ATOM 1970 O SER A 127 6.241 -5.957 -6.214 1.00 12.12 O ATOM 1971 CB SER A 127 4.432 -4.813 -4.168 1.00 24.22 C ATOM 1972 OG SER A 127 5.019 -5.450 -3.045 1.00 71.11 O ATOM 0 H SER A 127 4.119 -3.866 -6.603 1.00 13.34 H new ATOM 0 HA SER A 127 5.960 -3.302 -4.333 1.00 62.54 H new ATOM 0 HB2 SER A 127 3.646 -4.137 -3.832 1.00 24.22 H new ATOM 0 HB3 SER A 127 3.959 -5.562 -4.803 1.00 24.22 H new ATOM 0 HG SER A 127 5.016 -6.421 -3.181 1.00 71.11 H new ATOM 1978 N THR A 128 7.838 -4.576 -5.396 1.00 1.24 N ATOM 1979 CA THR A 128 8.997 -5.339 -5.905 1.00 21.24 C ATOM 1980 C THR A 128 9.575 -6.259 -4.807 1.00 23.02 C ATOM 1981 O THR A 128 10.221 -5.804 -3.855 1.00 15.22 O ATOM 1982 CB THR A 128 10.120 -4.396 -6.460 1.00 61.21 C ATOM 1983 OG1 THR A 128 10.488 -3.414 -5.473 1.00 11.52 O ATOM 1984 CG2 THR A 128 9.679 -3.687 -7.754 1.00 1.04 C ATOM 0 H THR A 128 8.100 -3.729 -4.892 1.00 1.24 H new ATOM 0 HA THR A 128 8.637 -5.953 -6.730 1.00 21.24 H new ATOM 0 HB THR A 128 10.983 -5.021 -6.690 1.00 61.21 H new ATOM 0 HG1 THR A 128 11.191 -2.834 -5.834 1.00 11.52 H new ATOM 0 HG21 THR A 128 10.484 -3.042 -8.108 1.00 1.04 H new ATOM 0 HG22 THR A 128 9.448 -4.431 -8.516 1.00 1.04 H new ATOM 0 HG23 THR A 128 8.793 -3.085 -7.555 1.00 1.04 H new ATOM 1992 N PHE A 129 9.314 -7.559 -4.965 1.00 13.51 N ATOM 1993 CA PHE A 129 9.710 -8.618 -4.023 1.00 51.52 C ATOM 1994 C PHE A 129 11.192 -9.030 -4.233 1.00 61.45 C ATOM 1995 O PHE A 129 11.727 -8.908 -5.341 1.00 52.24 O ATOM 1996 CB PHE A 129 8.767 -9.832 -4.225 1.00 25.03 C ATOM 1997 CG PHE A 129 7.276 -9.458 -4.230 1.00 0.42 C ATOM 1998 CD1 PHE A 129 6.580 -9.254 -3.045 1.00 2.41 C ATOM 1999 CD2 PHE A 129 6.577 -9.298 -5.430 1.00 10.44 C ATOM 2000 CE1 PHE A 129 5.241 -8.900 -3.055 1.00 20.45 C ATOM 2001 CE2 PHE A 129 5.240 -8.953 -5.439 1.00 32.44 C ATOM 2002 CZ PHE A 129 4.572 -8.754 -4.251 1.00 24.42 C ATOM 0 H PHE A 129 8.807 -7.918 -5.774 1.00 13.51 H new ATOM 0 HA PHE A 129 9.623 -8.247 -3.002 1.00 51.52 H new ATOM 0 HB2 PHE A 129 9.014 -10.320 -5.168 1.00 25.03 H new ATOM 0 HB3 PHE A 129 8.948 -10.558 -3.433 1.00 25.03 H new ATOM 0 HD1 PHE A 129 7.091 -9.373 -2.101 1.00 2.41 H new ATOM 0 HD2 PHE A 129 7.092 -9.447 -6.367 1.00 10.44 H new ATOM 0 HE1 PHE A 129 4.720 -8.738 -2.123 1.00 20.45 H new ATOM 0 HE2 PHE A 129 4.718 -8.839 -6.378 1.00 32.44 H new ATOM 0 HZ PHE A 129 3.526 -8.484 -4.257 1.00 24.42 H new ATOM 2012 N GLU A 130 11.849 -9.515 -3.161 1.00 62.33 N ATOM 2013 CA GLU A 130 13.269 -9.948 -3.215 1.00 53.23 C ATOM 2014 C GLU A 130 13.436 -11.332 -3.901 1.00 72.41 C ATOM 2015 O GLU A 130 14.444 -11.574 -4.577 1.00 53.42 O ATOM 2016 CB GLU A 130 13.881 -9.983 -1.782 1.00 10.31 C ATOM 2017 CG GLU A 130 13.189 -10.954 -0.795 1.00 70.44 C ATOM 2018 CD GLU A 130 13.832 -10.978 0.598 1.00 21.34 C ATOM 2019 OE1 GLU A 130 13.626 -10.018 1.371 1.00 2.42 O ATOM 2020 OE2 GLU A 130 14.554 -11.944 0.919 1.00 52.24 O ATOM 0 H GLU A 130 11.421 -9.619 -2.241 1.00 62.33 H new ATOM 0 HA GLU A 130 13.805 -9.217 -3.820 1.00 53.23 H new ATOM 0 HB2 GLU A 130 14.933 -10.258 -1.860 1.00 10.31 H new ATOM 0 HB3 GLU A 130 13.844 -8.977 -1.364 1.00 10.31 H new ATOM 0 HG2 GLU A 130 12.141 -10.672 -0.697 1.00 70.44 H new ATOM 0 HG3 GLU A 130 13.211 -11.960 -1.213 1.00 70.44 H new ATOM 2027 N SER A 131 12.441 -12.236 -3.729 1.00 72.43 N ATOM 2028 CA SER A 131 12.542 -13.651 -4.190 1.00 53.13 C ATOM 2029 C SER A 131 11.277 -14.112 -4.946 1.00 0.45 C ATOM 2030 O SER A 131 10.176 -13.592 -4.732 1.00 25.24 O ATOM 2031 CB SER A 131 12.802 -14.594 -2.985 1.00 43.21 C ATOM 2032 OG SER A 131 14.002 -14.256 -2.307 1.00 54.14 O ATOM 0 H SER A 131 11.556 -12.014 -3.274 1.00 72.43 H new ATOM 0 HA SER A 131 13.381 -13.701 -4.885 1.00 53.13 H new ATOM 0 HB2 SER A 131 11.963 -14.538 -2.291 1.00 43.21 H new ATOM 0 HB3 SER A 131 12.859 -15.625 -3.335 1.00 43.21 H new ATOM 0 HG SER A 131 14.135 -14.868 -1.553 1.00 54.14 H new ATOM 2038 N GLU A 132 11.475 -15.116 -5.822 1.00 52.41 N ATOM 2039 CA GLU A 132 10.399 -15.755 -6.615 1.00 2.33 C ATOM 2040 C GLU A 132 9.403 -16.521 -5.710 1.00 61.02 C ATOM 2041 O GLU A 132 8.198 -16.280 -5.767 1.00 44.23 O ATOM 2042 CB GLU A 132 11.039 -16.707 -7.660 1.00 35.20 C ATOM 2043 CG GLU A 132 10.044 -17.403 -8.611 1.00 23.22 C ATOM 2044 CD GLU A 132 10.724 -18.441 -9.523 1.00 74.52 C ATOM 2045 OE1 GLU A 132 11.086 -19.530 -9.023 1.00 50.03 O ATOM 2046 OE2 GLU A 132 10.893 -18.187 -10.734 1.00 52.00 O ATOM 0 H GLU A 132 12.397 -15.513 -6.003 1.00 52.41 H new ATOM 0 HA GLU A 132 9.831 -14.979 -7.127 1.00 2.33 H new ATOM 0 HB2 GLU A 132 11.751 -16.138 -8.258 1.00 35.20 H new ATOM 0 HB3 GLU A 132 11.607 -17.472 -7.131 1.00 35.20 H new ATOM 0 HG2 GLU A 132 9.268 -17.894 -8.023 1.00 23.22 H new ATOM 0 HG3 GLU A 132 9.550 -16.652 -9.227 1.00 23.22 H new ATOM 2053 N GLU A 133 9.931 -17.437 -4.871 1.00 32.12 N ATOM 2054 CA GLU A 133 9.122 -18.204 -3.885 1.00 70.24 C ATOM 2055 C GLU A 133 8.334 -17.272 -2.917 1.00 55.34 C ATOM 2056 O GLU A 133 7.214 -17.593 -2.514 1.00 72.10 O ATOM 2057 CB GLU A 133 10.030 -19.173 -3.079 1.00 71.44 C ATOM 2058 CG GLU A 133 11.203 -18.489 -2.343 1.00 74.52 C ATOM 2059 CD GLU A 133 11.982 -19.450 -1.434 1.00 34.43 C ATOM 2060 OE1 GLU A 133 12.878 -20.164 -1.932 1.00 20.42 O ATOM 2061 OE2 GLU A 133 11.695 -19.499 -0.217 1.00 73.32 O ATOM 0 H GLU A 133 10.924 -17.669 -4.853 1.00 32.12 H new ATOM 0 HA GLU A 133 8.389 -18.781 -4.448 1.00 70.24 H new ATOM 0 HB2 GLU A 133 9.418 -19.701 -2.348 1.00 71.44 H new ATOM 0 HB3 GLU A 133 10.433 -19.924 -3.759 1.00 71.44 H new ATOM 0 HG2 GLU A 133 11.884 -18.059 -3.077 1.00 74.52 H new ATOM 0 HG3 GLU A 133 10.818 -17.664 -1.745 1.00 74.52 H new ATOM 2068 N GLN A 134 8.942 -16.114 -2.561 1.00 75.23 N ATOM 2069 CA GLN A 134 8.282 -15.070 -1.744 1.00 1.31 C ATOM 2070 C GLN A 134 7.060 -14.478 -2.475 1.00 70.20 C ATOM 2071 O GLN A 134 5.974 -14.405 -1.913 1.00 61.44 O ATOM 2072 CB GLN A 134 9.275 -13.921 -1.413 1.00 40.15 C ATOM 2073 CG GLN A 134 8.637 -12.709 -0.677 1.00 62.30 C ATOM 2074 CD GLN A 134 9.470 -11.435 -0.747 1.00 32.11 C ATOM 2075 OE1 GLN A 134 10.207 -11.232 -1.695 1.00 12.41 O ATOM 2076 NE2 GLN A 134 9.315 -10.546 0.212 1.00 51.11 N ATOM 0 H GLN A 134 9.897 -15.880 -2.831 1.00 75.23 H new ATOM 0 HA GLN A 134 7.950 -15.545 -0.821 1.00 1.31 H new ATOM 0 HB2 GLN A 134 10.081 -14.320 -0.797 1.00 40.15 H new ATOM 0 HB3 GLN A 134 9.727 -13.570 -2.341 1.00 40.15 H new ATOM 0 HG2 GLN A 134 7.654 -12.513 -1.106 1.00 62.30 H new ATOM 0 HG3 GLN A 134 8.482 -12.973 0.369 1.00 62.30 H new ATOM 0 HE21 GLN A 134 8.691 -10.743 0.994 1.00 51.11 H new ATOM 0 HE22 GLN A 134 9.819 -9.660 0.173 1.00 51.11 H new ATOM 2085 N MET A 135 7.266 -14.063 -3.736 1.00 1.11 N ATOM 2086 CA MET A 135 6.243 -13.348 -4.533 1.00 54.42 C ATOM 2087 C MET A 135 5.024 -14.262 -4.843 1.00 65.13 C ATOM 2088 O MET A 135 3.885 -13.791 -4.958 1.00 25.40 O ATOM 2089 CB MET A 135 6.908 -12.759 -5.819 1.00 14.50 C ATOM 2090 CG MET A 135 6.912 -13.639 -7.088 1.00 71.13 C ATOM 2091 SD MET A 135 5.353 -13.548 -7.991 1.00 40.23 S ATOM 2092 CE MET A 135 5.261 -11.781 -8.331 1.00 43.13 C ATOM 0 H MET A 135 8.143 -14.211 -4.235 1.00 1.11 H new ATOM 0 HA MET A 135 5.845 -12.516 -3.953 1.00 54.42 H new ATOM 0 HB2 MET A 135 6.403 -11.824 -6.060 1.00 14.50 H new ATOM 0 HB3 MET A 135 7.942 -12.510 -5.579 1.00 14.50 H new ATOM 0 HG2 MET A 135 7.726 -13.326 -7.742 1.00 71.13 H new ATOM 0 HG3 MET A 135 7.107 -14.674 -6.809 1.00 71.13 H new ATOM 0 HE1 MET A 135 4.932 -11.625 -9.358 1.00 43.13 H new ATOM 0 HE2 MET A 135 4.551 -11.316 -7.648 1.00 43.13 H new ATOM 0 HE3 MET A 135 6.245 -11.332 -8.193 1.00 43.13 H new ATOM 2102 N GLN A 136 5.298 -15.577 -4.948 1.00 11.33 N ATOM 2103 CA GLN A 136 4.264 -16.627 -5.051 1.00 63.53 C ATOM 2104 C GLN A 136 3.487 -16.755 -3.720 1.00 11.32 C ATOM 2105 O GLN A 136 2.256 -16.784 -3.712 1.00 64.23 O ATOM 2106 CB GLN A 136 4.929 -17.981 -5.418 1.00 25.22 C ATOM 2107 CG GLN A 136 5.624 -18.016 -6.797 1.00 54.21 C ATOM 2108 CD GLN A 136 4.652 -17.837 -7.967 1.00 61.23 C ATOM 2109 OE1 GLN A 136 4.110 -18.798 -8.493 1.00 40.40 O ATOM 2110 NE2 GLN A 136 4.417 -16.604 -8.372 1.00 25.22 N ATOM 0 H GLN A 136 6.250 -15.944 -4.964 1.00 11.33 H new ATOM 0 HA GLN A 136 3.558 -16.351 -5.834 1.00 63.53 H new ATOM 0 HB2 GLN A 136 5.664 -18.227 -4.652 1.00 25.22 H new ATOM 0 HB3 GLN A 136 4.168 -18.761 -5.392 1.00 25.22 H new ATOM 0 HG2 GLN A 136 6.379 -17.230 -6.836 1.00 54.21 H new ATOM 0 HG3 GLN A 136 6.147 -18.966 -6.909 1.00 54.21 H new ATOM 0 HE21 GLN A 136 4.883 -15.820 -7.915 1.00 25.22 H new ATOM 0 HE22 GLN A 136 3.769 -16.435 -9.142 1.00 25.22 H new ATOM 2119 N LYS A 137 4.244 -16.803 -2.603 1.00 15.41 N ATOM 2120 CA LYS A 137 3.694 -16.914 -1.226 1.00 11.33 C ATOM 2121 C LYS A 137 2.797 -15.699 -0.860 1.00 40.33 C ATOM 2122 O LYS A 137 1.810 -15.844 -0.137 1.00 72.41 O ATOM 2123 CB LYS A 137 4.867 -17.075 -0.215 1.00 25.22 C ATOM 2124 CG LYS A 137 4.464 -17.166 1.273 1.00 33.11 C ATOM 2125 CD LYS A 137 3.513 -18.349 1.585 1.00 15.22 C ATOM 2126 CE LYS A 137 3.086 -18.378 3.062 1.00 1.01 C ATOM 2127 NZ LYS A 137 2.164 -19.502 3.350 1.00 32.35 N ATOM 0 H LYS A 137 5.263 -16.766 -2.627 1.00 15.41 H new ATOM 0 HA LYS A 137 3.055 -17.796 -1.178 1.00 11.33 H new ATOM 0 HB2 LYS A 137 5.426 -17.974 -0.476 1.00 25.22 H new ATOM 0 HB3 LYS A 137 5.546 -16.231 -0.337 1.00 25.22 H new ATOM 0 HG2 LYS A 137 5.364 -17.264 1.880 1.00 33.11 H new ATOM 0 HG3 LYS A 137 3.981 -16.234 1.568 1.00 33.11 H new ATOM 0 HD2 LYS A 137 2.627 -18.277 0.954 1.00 15.22 H new ATOM 0 HD3 LYS A 137 4.008 -19.287 1.333 1.00 15.22 H new ATOM 0 HE2 LYS A 137 3.970 -18.463 3.694 1.00 1.01 H new ATOM 0 HE3 LYS A 137 2.601 -17.436 3.318 1.00 1.01 H new ATOM 0 HZ1 LYS A 137 1.900 -19.486 4.356 1.00 32.35 H new ATOM 0 HZ2 LYS A 137 1.309 -19.408 2.766 1.00 32.35 H new ATOM 0 HZ3 LYS A 137 2.635 -20.403 3.130 1.00 32.35 H new ATOM 2141 N MET A 138 3.146 -14.514 -1.381 1.00 0.34 N ATOM 2142 CA MET A 138 2.343 -13.282 -1.213 1.00 55.13 C ATOM 2143 C MET A 138 0.940 -13.450 -1.849 1.00 54.13 C ATOM 2144 O MET A 138 -0.079 -13.124 -1.234 1.00 22.20 O ATOM 2145 CB MET A 138 3.093 -12.082 -1.845 1.00 25.43 C ATOM 2146 CG MET A 138 4.445 -11.711 -1.184 1.00 65.14 C ATOM 2147 SD MET A 138 4.312 -10.436 0.104 1.00 44.14 S ATOM 2148 CE MET A 138 3.670 -11.326 1.521 1.00 32.44 C ATOM 0 H MET A 138 3.993 -14.377 -1.932 1.00 0.34 H new ATOM 0 HA MET A 138 2.205 -13.092 -0.149 1.00 55.13 H new ATOM 0 HB2 MET A 138 3.272 -12.303 -2.897 1.00 25.43 H new ATOM 0 HB3 MET A 138 2.440 -11.210 -1.809 1.00 25.43 H new ATOM 0 HG2 MET A 138 4.883 -12.609 -0.748 1.00 65.14 H new ATOM 0 HG3 MET A 138 5.132 -11.363 -1.956 1.00 65.14 H new ATOM 0 HE1 MET A 138 3.972 -10.818 2.437 1.00 32.44 H new ATOM 0 HE2 MET A 138 2.582 -11.360 1.467 1.00 32.44 H new ATOM 0 HE3 MET A 138 4.065 -12.342 1.522 1.00 32.44 H new ATOM 2158 N ALA A 139 0.908 -13.992 -3.078 1.00 11.53 N ATOM 2159 CA ALA A 139 -0.351 -14.308 -3.791 1.00 11.21 C ATOM 2160 C ALA A 139 -1.153 -15.426 -3.067 1.00 14.10 C ATOM 2161 O ALA A 139 -2.389 -15.415 -3.078 1.00 41.13 O ATOM 2162 CB ALA A 139 -0.039 -14.692 -5.243 1.00 23.51 C ATOM 0 H ALA A 139 1.748 -14.224 -3.607 1.00 11.53 H new ATOM 0 HA ALA A 139 -0.983 -13.420 -3.792 1.00 11.21 H new ATOM 0 HB1 ALA A 139 -0.967 -14.924 -5.765 1.00 23.51 H new ATOM 0 HB2 ALA A 139 0.459 -13.860 -5.740 1.00 23.51 H new ATOM 0 HB3 ALA A 139 0.613 -15.565 -5.256 1.00 23.51 H new ATOM 2168 N GLU A 140 -0.430 -16.370 -2.429 1.00 22.02 N ATOM 2169 CA GLU A 140 -1.035 -17.429 -1.575 1.00 15.12 C ATOM 2170 C GLU A 140 -1.700 -16.834 -0.302 1.00 64.00 C ATOM 2171 O GLU A 140 -2.689 -17.372 0.201 1.00 70.31 O ATOM 2172 CB GLU A 140 0.038 -18.482 -1.176 1.00 64.33 C ATOM 2173 CG GLU A 140 0.670 -19.264 -2.352 1.00 65.13 C ATOM 2174 CD GLU A 140 -0.303 -20.231 -3.051 1.00 42.42 C ATOM 2175 OE1 GLU A 140 -1.037 -19.808 -3.974 1.00 72.14 O ATOM 2176 OE2 GLU A 140 -0.343 -21.422 -2.680 1.00 52.43 O ATOM 0 H GLU A 140 0.587 -16.425 -2.487 1.00 22.02 H new ATOM 0 HA GLU A 140 -1.815 -17.916 -2.161 1.00 15.12 H new ATOM 0 HB2 GLU A 140 0.834 -17.976 -0.629 1.00 64.33 H new ATOM 0 HB3 GLU A 140 -0.416 -19.196 -0.489 1.00 64.33 H new ATOM 0 HG2 GLU A 140 1.050 -18.553 -3.086 1.00 65.13 H new ATOM 0 HG3 GLU A 140 1.526 -19.829 -1.982 1.00 65.13 H new ATOM 2183 N MET A 141 -1.136 -15.722 0.212 1.00 62.34 N ATOM 2184 CA MET A 141 -1.714 -14.967 1.356 1.00 61.32 C ATOM 2185 C MET A 141 -2.946 -14.123 0.937 1.00 12.14 C ATOM 2186 O MET A 141 -3.675 -13.614 1.798 1.00 33.32 O ATOM 2187 CB MET A 141 -0.627 -14.044 1.981 1.00 3.52 C ATOM 2188 CG MET A 141 0.527 -14.797 2.657 1.00 71.12 C ATOM 2189 SD MET A 141 -0.016 -15.789 4.065 1.00 60.31 S ATOM 2190 CE MET A 141 -0.570 -14.524 5.218 1.00 64.14 C ATOM 0 H MET A 141 -0.271 -15.319 -0.148 1.00 62.34 H new ATOM 0 HA MET A 141 -2.052 -15.695 2.094 1.00 61.32 H new ATOM 0 HB2 MET A 141 -0.219 -13.402 1.200 1.00 3.52 H new ATOM 0 HB3 MET A 141 -1.099 -13.391 2.715 1.00 3.52 H new ATOM 0 HG2 MET A 141 1.010 -15.445 1.926 1.00 71.12 H new ATOM 0 HG3 MET A 141 1.277 -14.080 2.991 1.00 71.12 H new ATOM 0 HE1 MET A 141 -0.678 -14.959 6.211 1.00 64.14 H new ATOM 0 HE2 MET A 141 0.162 -13.717 5.253 1.00 64.14 H new ATOM 0 HE3 MET A 141 -1.531 -14.128 4.889 1.00 64.14 H new ATOM 2200 N GLY A 142 -3.170 -13.984 -0.386 1.00 4.43 N ATOM 2201 CA GLY A 142 -4.228 -13.107 -0.907 1.00 65.32 C ATOM 2202 C GLY A 142 -3.871 -11.620 -0.798 1.00 64.01 C ATOM 2203 O GLY A 142 -4.756 -10.773 -0.669 1.00 43.41 O ATOM 0 H GLY A 142 -2.633 -14.467 -1.106 1.00 4.43 H new ATOM 0 HA2 GLY A 142 -4.418 -13.355 -1.951 1.00 65.32 H new ATOM 0 HA3 GLY A 142 -5.152 -13.296 -0.361 1.00 65.32 H new ATOM 2207 N MET A 143 -2.552 -11.320 -0.868 1.00 1.14 N ATOM 2208 CA MET A 143 -1.998 -9.935 -0.811 1.00 22.42 C ATOM 2209 C MET A 143 -2.601 -9.044 -1.925 1.00 2.02 C ATOM 2210 O MET A 143 -2.835 -7.846 -1.731 1.00 30.14 O ATOM 2211 CB MET A 143 -0.450 -10.001 -0.955 1.00 25.34 C ATOM 2212 CG MET A 143 0.302 -8.679 -0.749 1.00 12.22 C ATOM 2213 SD MET A 143 0.081 -8.031 0.921 1.00 72.23 S ATOM 2214 CE MET A 143 1.314 -6.729 0.976 1.00 44.53 C ATOM 0 H MET A 143 -1.832 -12.035 -0.967 1.00 1.14 H new ATOM 0 HA MET A 143 -2.262 -9.489 0.148 1.00 22.42 H new ATOM 0 HB2 MET A 143 -0.069 -10.728 -0.238 1.00 25.34 H new ATOM 0 HB3 MET A 143 -0.213 -10.380 -1.949 1.00 25.34 H new ATOM 0 HG2 MET A 143 1.364 -8.832 -0.941 1.00 12.22 H new ATOM 0 HG3 MET A 143 -0.051 -7.944 -1.473 1.00 12.22 H new ATOM 0 HE1 MET A 143 1.288 -6.244 1.952 1.00 44.53 H new ATOM 0 HE2 MET A 143 2.303 -7.157 0.810 1.00 44.53 H new ATOM 0 HE3 MET A 143 1.102 -5.994 0.200 1.00 44.53 H new ATOM 2224 N GLU A 144 -2.867 -9.677 -3.084 1.00 42.20 N ATOM 2225 CA GLU A 144 -3.471 -9.025 -4.262 1.00 30.24 C ATOM 2226 C GLU A 144 -4.861 -8.418 -3.945 1.00 63.12 C ATOM 2227 O GLU A 144 -5.093 -7.223 -4.158 1.00 44.22 O ATOM 2228 CB GLU A 144 -3.564 -10.041 -5.440 1.00 11.51 C ATOM 2229 CG GLU A 144 -2.210 -10.659 -5.856 1.00 61.35 C ATOM 2230 CD GLU A 144 -2.315 -11.580 -7.086 1.00 71.52 C ATOM 2231 OE1 GLU A 144 -2.260 -11.074 -8.235 1.00 64.33 O ATOM 2232 OE2 GLU A 144 -2.452 -12.813 -6.919 1.00 22.40 O ATOM 0 H GLU A 144 -2.666 -10.666 -3.230 1.00 42.20 H new ATOM 0 HA GLU A 144 -2.825 -8.197 -4.553 1.00 30.24 H new ATOM 0 HB2 GLU A 144 -4.245 -10.844 -5.159 1.00 11.51 H new ATOM 0 HB3 GLU A 144 -4.002 -9.539 -6.303 1.00 11.51 H new ATOM 0 HG2 GLU A 144 -1.503 -9.858 -6.070 1.00 61.35 H new ATOM 0 HG3 GLU A 144 -1.805 -11.227 -5.019 1.00 61.35 H new ATOM 2239 N GLU A 145 -5.758 -9.257 -3.399 1.00 33.50 N ATOM 2240 CA GLU A 145 -7.145 -8.864 -3.065 1.00 55.45 C ATOM 2241 C GLU A 145 -7.202 -7.993 -1.777 1.00 65.33 C ATOM 2242 O GLU A 145 -8.042 -7.096 -1.662 1.00 11.05 O ATOM 2243 CB GLU A 145 -8.020 -10.134 -2.917 1.00 62.50 C ATOM 2244 CG GLU A 145 -9.528 -9.863 -2.739 1.00 22.24 C ATOM 2245 CD GLU A 145 -10.368 -11.151 -2.711 1.00 60.41 C ATOM 2246 OE1 GLU A 145 -10.750 -11.649 -3.793 1.00 43.53 O ATOM 2247 OE2 GLU A 145 -10.638 -11.682 -1.610 1.00 54.51 O ATOM 0 H GLU A 145 -5.545 -10.229 -3.175 1.00 33.50 H new ATOM 0 HA GLU A 145 -7.536 -8.252 -3.878 1.00 55.45 H new ATOM 0 HB2 GLU A 145 -7.879 -10.760 -3.798 1.00 62.50 H new ATOM 0 HB3 GLU A 145 -7.664 -10.706 -2.060 1.00 62.50 H new ATOM 0 HG2 GLU A 145 -9.686 -9.312 -1.812 1.00 22.24 H new ATOM 0 HG3 GLU A 145 -9.876 -9.226 -3.552 1.00 22.24 H new ATOM 2254 N GLY A 146 -6.277 -8.266 -0.828 1.00 3.53 N ATOM 2255 CA GLY A 146 -6.171 -7.503 0.432 1.00 43.11 C ATOM 2256 C GLY A 146 -5.883 -6.010 0.212 1.00 63.03 C ATOM 2257 O GLY A 146 -6.470 -5.144 0.877 1.00 52.21 O ATOM 0 H GLY A 146 -5.590 -9.015 -0.915 1.00 3.53 H new ATOM 0 HA2 GLY A 146 -7.100 -7.609 0.993 1.00 43.11 H new ATOM 0 HA3 GLY A 146 -5.378 -7.933 1.044 1.00 43.11 H new ATOM 2261 N MET A 147 -4.964 -5.718 -0.736 1.00 54.12 N ATOM 2262 CA MET A 147 -4.717 -4.340 -1.217 1.00 12.14 C ATOM 2263 C MET A 147 -5.902 -3.829 -2.062 1.00 64.43 C ATOM 2264 O MET A 147 -6.370 -2.721 -1.852 1.00 42.13 O ATOM 2265 CB MET A 147 -3.419 -4.264 -2.059 1.00 3.34 C ATOM 2266 CG MET A 147 -2.131 -4.530 -1.281 1.00 75.13 C ATOM 2267 SD MET A 147 -0.652 -4.425 -2.318 1.00 62.34 S ATOM 2268 CE MET A 147 -0.713 -2.723 -2.880 1.00 60.21 C ATOM 0 H MET A 147 -4.379 -6.422 -1.185 1.00 54.12 H new ATOM 0 HA MET A 147 -4.605 -3.707 -0.336 1.00 12.14 H new ATOM 0 HB2 MET A 147 -3.489 -4.984 -2.874 1.00 3.34 H new ATOM 0 HB3 MET A 147 -3.355 -3.275 -2.512 1.00 3.34 H new ATOM 0 HG2 MET A 147 -2.049 -3.811 -0.466 1.00 75.13 H new ATOM 0 HG3 MET A 147 -2.183 -5.520 -0.829 1.00 75.13 H new ATOM 0 HE1 MET A 147 -0.806 -2.701 -3.966 1.00 60.21 H new ATOM 0 HE2 MET A 147 -1.571 -2.222 -2.432 1.00 60.21 H new ATOM 0 HE3 MET A 147 0.202 -2.209 -2.584 1.00 60.21 H new ATOM 2278 N ARG A 148 -6.386 -4.677 -2.987 1.00 35.32 N ATOM 2279 CA ARG A 148 -7.386 -4.288 -4.013 1.00 64.42 C ATOM 2280 C ARG A 148 -8.684 -3.710 -3.392 1.00 14.21 C ATOM 2281 O ARG A 148 -9.130 -2.645 -3.801 1.00 32.32 O ATOM 2282 CB ARG A 148 -7.709 -5.512 -4.894 1.00 5.24 C ATOM 2283 CG ARG A 148 -8.663 -5.250 -6.079 1.00 23.42 C ATOM 2284 CD ARG A 148 -8.888 -6.527 -6.900 1.00 23.44 C ATOM 2285 NE ARG A 148 -9.776 -6.332 -8.057 1.00 2.44 N ATOM 2286 CZ ARG A 148 -9.830 -7.129 -9.105 1.00 53.11 C ATOM 2287 NH1 ARG A 148 -8.989 -8.111 -9.245 1.00 32.14 N ATOM 2288 NH2 ARG A 148 -10.715 -6.922 -10.021 1.00 62.35 N ATOM 0 H ARG A 148 -6.098 -5.654 -3.049 1.00 35.32 H new ATOM 0 HA ARG A 148 -6.952 -3.493 -4.619 1.00 64.42 H new ATOM 0 HB2 ARG A 148 -6.774 -5.912 -5.286 1.00 5.24 H new ATOM 0 HB3 ARG A 148 -8.147 -6.286 -4.263 1.00 5.24 H new ATOM 0 HG2 ARG A 148 -9.618 -4.881 -5.706 1.00 23.42 H new ATOM 0 HG3 ARG A 148 -8.248 -4.471 -6.719 1.00 23.42 H new ATOM 0 HD2 ARG A 148 -7.925 -6.899 -7.250 1.00 23.44 H new ATOM 0 HD3 ARG A 148 -9.311 -7.296 -6.253 1.00 23.44 H new ATOM 0 HE ARG A 148 -10.395 -5.521 -8.047 1.00 2.44 H new ATOM 0 HH11 ARG A 148 -8.273 -8.274 -8.537 1.00 32.14 H new ATOM 0 HH12 ARG A 148 -9.045 -8.718 -10.063 1.00 32.14 H new ATOM 0 HH21 ARG A 148 -11.369 -6.144 -9.932 1.00 62.35 H new ATOM 0 HH22 ARG A 148 -10.761 -7.536 -10.834 1.00 62.35 H new ATOM 2302 N GLU A 149 -9.254 -4.416 -2.391 1.00 72.30 N ATOM 2303 CA GLU A 149 -10.495 -3.985 -1.681 1.00 0.10 C ATOM 2304 C GLU A 149 -10.284 -2.661 -0.902 1.00 72.55 C ATOM 2305 O GLU A 149 -11.190 -1.821 -0.828 1.00 55.54 O ATOM 2306 CB GLU A 149 -10.985 -5.101 -0.724 1.00 61.13 C ATOM 2307 CG GLU A 149 -11.353 -6.417 -1.425 1.00 72.22 C ATOM 2308 CD GLU A 149 -11.947 -7.448 -0.456 1.00 70.15 C ATOM 2309 OE1 GLU A 149 -11.175 -8.134 0.247 1.00 50.12 O ATOM 2310 OE2 GLU A 149 -13.198 -7.564 -0.375 1.00 53.44 O ATOM 0 H GLU A 149 -8.874 -5.298 -2.048 1.00 72.30 H new ATOM 0 HA GLU A 149 -11.259 -3.803 -2.437 1.00 0.10 H new ATOM 0 HB2 GLU A 149 -10.206 -5.300 0.012 1.00 61.13 H new ATOM 0 HB3 GLU A 149 -11.855 -4.738 -0.177 1.00 61.13 H new ATOM 0 HG2 GLU A 149 -12.070 -6.214 -2.220 1.00 72.22 H new ATOM 0 HG3 GLU A 149 -10.464 -6.835 -1.897 1.00 72.22 H new ATOM 2317 N ALA A 150 -9.078 -2.497 -0.333 1.00 41.53 N ATOM 2318 CA ALA A 150 -8.656 -1.245 0.335 1.00 43.14 C ATOM 2319 C ALA A 150 -8.622 -0.055 -0.668 1.00 45.51 C ATOM 2320 O ALA A 150 -9.083 1.050 -0.371 1.00 5.51 O ATOM 2321 CB ALA A 150 -7.274 -1.456 0.983 1.00 23.11 C ATOM 0 H ALA A 150 -8.365 -3.226 -0.321 1.00 41.53 H new ATOM 0 HA ALA A 150 -9.382 -0.995 1.108 1.00 43.14 H new ATOM 0 HB1 ALA A 150 -6.959 -0.536 1.476 1.00 23.11 H new ATOM 0 HB2 ALA A 150 -7.335 -2.259 1.718 1.00 23.11 H new ATOM 0 HB3 ALA A 150 -6.549 -1.722 0.214 1.00 23.11 H new ATOM 2327 N ILE A 151 -8.087 -0.328 -1.868 1.00 55.21 N ATOM 2328 CA ILE A 151 -7.940 0.659 -2.966 1.00 63.52 C ATOM 2329 C ILE A 151 -9.310 0.934 -3.676 1.00 54.14 C ATOM 2330 O ILE A 151 -9.533 2.003 -4.259 1.00 25.12 O ATOM 2331 CB ILE A 151 -6.822 0.143 -3.958 1.00 5.33 C ATOM 2332 CG1 ILE A 151 -5.459 -0.035 -3.186 1.00 22.55 C ATOM 2333 CG2 ILE A 151 -6.650 1.074 -5.180 1.00 12.43 C ATOM 2334 CD1 ILE A 151 -4.392 -0.846 -3.915 1.00 44.21 C ATOM 0 H ILE A 151 -7.737 -1.254 -2.114 1.00 55.21 H new ATOM 0 HA ILE A 151 -7.626 1.622 -2.564 1.00 63.52 H new ATOM 0 HB ILE A 151 -7.141 -0.825 -4.345 1.00 5.33 H new ATOM 0 HG12 ILE A 151 -5.054 0.953 -2.968 1.00 22.55 H new ATOM 0 HG13 ILE A 151 -5.664 -0.514 -2.229 1.00 22.55 H new ATOM 0 HG21 ILE A 151 -5.871 0.678 -5.832 1.00 12.43 H new ATOM 0 HG22 ILE A 151 -7.590 1.130 -5.729 1.00 12.43 H new ATOM 0 HG23 ILE A 151 -6.367 2.071 -4.841 1.00 12.43 H new ATOM 0 HD11 ILE A 151 -3.496 -0.907 -3.297 1.00 44.21 H new ATOM 0 HD12 ILE A 151 -4.768 -1.850 -4.110 1.00 44.21 H new ATOM 0 HD13 ILE A 151 -4.148 -0.360 -4.860 1.00 44.21 H new ATOM 2346 N GLU A 152 -10.236 -0.039 -3.571 1.00 31.33 N ATOM 2347 CA GLU A 152 -11.659 0.132 -3.963 1.00 41.10 C ATOM 2348 C GLU A 152 -12.404 1.040 -2.960 1.00 64.22 C ATOM 2349 O GLU A 152 -13.405 1.669 -3.300 1.00 75.40 O ATOM 2350 CB GLU A 152 -12.367 -1.255 -4.027 1.00 41.12 C ATOM 2351 CG GLU A 152 -11.913 -2.179 -5.180 1.00 42.12 C ATOM 2352 CD GLU A 152 -12.451 -1.753 -6.558 1.00 12.24 C ATOM 2353 OE1 GLU A 152 -11.917 -0.802 -7.144 1.00 11.40 O ATOM 2354 OE2 GLU A 152 -13.427 -2.360 -7.048 1.00 41.45 O ATOM 0 H GLU A 152 -10.023 -0.970 -3.212 1.00 31.33 H new ATOM 0 HA GLU A 152 -11.683 0.602 -4.946 1.00 41.10 H new ATOM 0 HB2 GLU A 152 -12.201 -1.773 -3.082 1.00 41.12 H new ATOM 0 HB3 GLU A 152 -13.441 -1.092 -4.116 1.00 41.12 H new ATOM 0 HG2 GLU A 152 -10.824 -2.196 -5.214 1.00 42.12 H new ATOM 0 HG3 GLU A 152 -12.241 -3.197 -4.970 1.00 42.12 H new ATOM 2361 N GLN A 153 -11.907 1.079 -1.715 1.00 24.54 N ATOM 2362 CA GLN A 153 -12.543 1.820 -0.610 1.00 72.11 C ATOM 2363 C GLN A 153 -12.016 3.284 -0.521 1.00 1.24 C ATOM 2364 O GLN A 153 -12.566 4.092 0.221 1.00 61.52 O ATOM 2365 CB GLN A 153 -12.317 1.029 0.713 1.00 40.30 C ATOM 2366 CG GLN A 153 -13.197 1.467 1.908 1.00 53.33 C ATOM 2367 CD GLN A 153 -13.121 0.491 3.088 1.00 3.43 C ATOM 2368 OE1 GLN A 153 -13.901 -0.453 3.185 1.00 20.30 O ATOM 2369 NE2 GLN A 153 -12.191 0.709 3.988 1.00 71.51 N ATOM 0 H GLN A 153 -11.050 0.597 -1.443 1.00 24.54 H new ATOM 0 HA GLN A 153 -13.614 1.903 -0.794 1.00 72.11 H new ATOM 0 HB2 GLN A 153 -12.497 -0.028 0.519 1.00 40.30 H new ATOM 0 HB3 GLN A 153 -11.270 1.126 1.000 1.00 40.30 H new ATOM 0 HG2 GLN A 153 -12.885 2.457 2.240 1.00 53.33 H new ATOM 0 HG3 GLN A 153 -14.233 1.553 1.579 1.00 53.33 H new ATOM 0 HE21 GLN A 153 -11.556 1.500 3.884 1.00 71.51 H new ATOM 0 HE22 GLN A 153 -12.103 0.087 4.792 1.00 71.51 H new ATOM 2378 N ILE A 154 -10.969 3.621 -1.312 1.00 32.51 N ATOM 2379 CA ILE A 154 -10.395 4.994 -1.361 1.00 72.30 C ATOM 2380 C ILE A 154 -11.406 6.037 -1.892 1.00 71.25 C ATOM 2381 O ILE A 154 -11.568 7.100 -1.301 1.00 51.35 O ATOM 2382 CB ILE A 154 -9.089 5.044 -2.228 1.00 24.13 C ATOM 2383 CG1 ILE A 154 -7.962 4.217 -1.554 1.00 71.34 C ATOM 2384 CG2 ILE A 154 -8.623 6.506 -2.500 1.00 32.43 C ATOM 2385 CD1 ILE A 154 -6.662 4.154 -2.332 1.00 14.10 C ATOM 0 H ILE A 154 -10.500 2.958 -1.930 1.00 32.51 H new ATOM 0 HA ILE A 154 -10.149 5.252 -0.331 1.00 72.30 H new ATOM 0 HB ILE A 154 -9.318 4.599 -3.196 1.00 24.13 H new ATOM 0 HG12 ILE A 154 -7.759 4.641 -0.570 1.00 71.34 H new ATOM 0 HG13 ILE A 154 -8.323 3.201 -1.395 1.00 71.34 H new ATOM 0 HG21 ILE A 154 -7.716 6.492 -3.104 1.00 32.43 H new ATOM 0 HG22 ILE A 154 -9.406 7.044 -3.034 1.00 32.43 H new ATOM 0 HG23 ILE A 154 -8.421 7.006 -1.553 1.00 32.43 H new ATOM 0 HD11 ILE A 154 -5.937 3.555 -1.781 1.00 14.10 H new ATOM 0 HD12 ILE A 154 -6.843 3.700 -3.306 1.00 14.10 H new ATOM 0 HD13 ILE A 154 -6.271 5.162 -2.469 1.00 14.10 H new ATOM 2397 N ASP A 155 -12.069 5.733 -3.019 1.00 13.44 N ATOM 2398 CA ASP A 155 -13.129 6.612 -3.585 1.00 20.11 C ATOM 2399 C ASP A 155 -14.347 6.715 -2.627 1.00 53.55 C ATOM 2400 O ASP A 155 -15.024 7.742 -2.584 1.00 11.44 O ATOM 2401 CB ASP A 155 -13.544 6.141 -5.010 1.00 13.52 C ATOM 2402 CG ASP A 155 -13.772 4.626 -5.115 1.00 24.30 C ATOM 2403 OD1 ASP A 155 -12.769 3.883 -5.200 1.00 32.40 O ATOM 2404 OD2 ASP A 155 -14.935 4.173 -5.139 1.00 13.13 O ATOM 0 H ASP A 155 -11.897 4.888 -3.563 1.00 13.44 H new ATOM 0 HA ASP A 155 -12.717 7.616 -3.685 1.00 20.11 H new ATOM 0 HB2 ASP A 155 -14.458 6.659 -5.303 1.00 13.52 H new ATOM 0 HB3 ASP A 155 -12.770 6.434 -5.720 1.00 13.52 H new ATOM 2409 N ALA A 156 -14.587 5.646 -1.841 1.00 71.04 N ATOM 2410 CA ALA A 156 -15.556 5.666 -0.710 1.00 3.10 C ATOM 2411 C ALA A 156 -15.105 6.626 0.429 1.00 34.23 C ATOM 2412 O ALA A 156 -15.932 7.141 1.160 1.00 53.01 O ATOM 2413 CB ALA A 156 -15.772 4.245 -0.170 1.00 12.14 C ATOM 0 H ALA A 156 -14.122 4.747 -1.965 1.00 71.04 H new ATOM 0 HA ALA A 156 -16.502 6.047 -1.094 1.00 3.10 H new ATOM 0 HB1 ALA A 156 -16.482 4.274 0.656 1.00 12.14 H new ATOM 0 HB2 ALA A 156 -16.165 3.610 -0.964 1.00 12.14 H new ATOM 0 HB3 ALA A 156 -14.823 3.841 0.182 1.00 12.14 H new ATOM 2419 N VAL A 157 -13.784 6.800 0.598 1.00 50.21 N ATOM 2420 CA VAL A 157 -13.200 7.766 1.575 1.00 31.52 C ATOM 2421 C VAL A 157 -13.317 9.223 1.053 1.00 44.20 C ATOM 2422 O VAL A 157 -13.714 10.132 1.798 1.00 1.43 O ATOM 2423 CB VAL A 157 -11.682 7.433 1.873 1.00 45.32 C ATOM 2424 CG1 VAL A 157 -10.994 8.511 2.760 1.00 54.43 C ATOM 2425 CG2 VAL A 157 -11.538 6.032 2.508 1.00 14.44 C ATOM 0 H VAL A 157 -13.083 6.282 0.068 1.00 50.21 H new ATOM 0 HA VAL A 157 -13.768 7.672 2.500 1.00 31.52 H new ATOM 0 HB VAL A 157 -11.168 7.438 0.912 1.00 45.32 H new ATOM 0 HG11 VAL A 157 -9.955 8.231 2.932 1.00 54.43 H new ATOM 0 HG12 VAL A 157 -11.031 9.476 2.254 1.00 54.43 H new ATOM 0 HG13 VAL A 157 -11.514 8.582 3.715 1.00 54.43 H new ATOM 0 HG21 VAL A 157 -10.485 5.827 2.703 1.00 14.44 H new ATOM 0 HG22 VAL A 157 -12.094 5.998 3.445 1.00 14.44 H new ATOM 0 HG23 VAL A 157 -11.933 5.280 1.825 1.00 14.44 H new ATOM 2435 N LEU A 158 -12.978 9.423 -0.240 1.00 13.33 N ATOM 2436 CA LEU A 158 -12.920 10.766 -0.869 1.00 30.32 C ATOM 2437 C LEU A 158 -14.335 11.349 -1.095 1.00 32.12 C ATOM 2438 O LEU A 158 -14.536 12.567 -1.035 1.00 43.02 O ATOM 2439 CB LEU A 158 -12.143 10.708 -2.222 1.00 42.10 C ATOM 2440 CG LEU A 158 -10.696 10.110 -2.171 1.00 5.01 C ATOM 2441 CD1 LEU A 158 -9.986 10.217 -3.534 1.00 31.35 C ATOM 2442 CD2 LEU A 158 -9.856 10.747 -1.044 1.00 40.44 C ATOM 0 H LEU A 158 -12.737 8.663 -0.876 1.00 13.33 H new ATOM 0 HA LEU A 158 -12.388 11.425 -0.183 1.00 30.32 H new ATOM 0 HB2 LEU A 158 -12.730 10.121 -2.928 1.00 42.10 H new ATOM 0 HB3 LEU A 158 -12.080 11.720 -2.623 1.00 42.10 H new ATOM 0 HG LEU A 158 -10.796 9.049 -1.941 1.00 5.01 H new ATOM 0 HD11 LEU A 158 -8.985 9.792 -3.457 1.00 31.35 H new ATOM 0 HD12 LEU A 158 -10.556 9.670 -4.285 1.00 31.35 H new ATOM 0 HD13 LEU A 158 -9.913 11.265 -3.825 1.00 31.35 H new ATOM 0 HD21 LEU A 158 -8.859 10.307 -1.040 1.00 40.44 H new ATOM 0 HD22 LEU A 158 -9.778 11.821 -1.211 1.00 40.44 H new ATOM 0 HD23 LEU A 158 -10.337 10.564 -0.083 1.00 40.44 H new ATOM 2454 N SER A 159 -15.303 10.461 -1.359 1.00 5.25 N ATOM 2455 CA SER A 159 -16.716 10.833 -1.574 1.00 41.21 C ATOM 2456 C SER A 159 -17.514 10.679 -0.263 1.00 11.54 C ATOM 2457 O SER A 159 -18.000 11.662 0.310 1.00 42.11 O ATOM 2458 CB SER A 159 -17.336 9.928 -2.669 1.00 45.54 C ATOM 2459 OG SER A 159 -18.631 10.379 -3.051 1.00 30.20 O ATOM 0 H SER A 159 -15.131 9.458 -1.431 1.00 5.25 H new ATOM 0 HA SER A 159 -16.760 11.874 -1.895 1.00 41.21 H new ATOM 0 HB2 SER A 159 -16.683 9.913 -3.542 1.00 45.54 H new ATOM 0 HB3 SER A 159 -17.401 8.904 -2.302 1.00 45.54 H new ATOM 0 HG SER A 159 -18.992 9.787 -3.744 1.00 30.20 H new