USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 405 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 NoAdj-H: A 119 HIS HE2 : A 119 HIS NE2 : A 156 ZNZN :(H bumps) USER MOD Set 1.1: A 139 SER OG : rot 124:sc= 1.76 USER MOD Set 1.2: A 141 TYR OH : rot 36:sc= 0.954 USER MOD Single : A 94 MET CE :methyl 166:sc=-0.00465 (180deg=-0.535) USER MOD Single : A 95 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.19) USER MOD Single : A 102 SER OG : rot -102:sc= 1.29 USER MOD Single : A 103 TYR OH : rot 20:sc= 1.3 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 114 SER OG : rot -92:sc= 1.48 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 122 MET CE :methyl -137:sc= -4.91! (180deg=-11.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.046) USER MOD Single : A 142 LYS NZ :NH3+ -139:sc= 0.442 (180deg=0.0875) USER MOD Single : A 144 ASN : amide:sc= -2.32 K(o=-2.3,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.269 -8.095 -0.727 1.00 0.93 N ATOM 2 CA MET A 94 -5.852 -7.836 0.595 1.00 0.93 C ATOM 3 C MET A 94 -5.571 -8.796 1.743 1.00 1.01 C ATOM 4 O MET A 94 -5.728 -8.416 2.895 1.00 2.01 O ATOM 5 CB MET A 94 -7.381 -7.773 0.463 1.00 0.92 C ATOM 6 CG MET A 94 -7.928 -7.148 -0.818 1.00 0.85 C ATOM 7 SD MET A 94 -9.724 -6.927 -0.887 1.00 1.10 S ATOM 8 CE MET A 94 -9.965 -5.644 0.368 1.00 2.30 C ATOM 0 HA MET A 94 -5.352 -6.909 0.876 1.00 0.93 H new ATOM 0 HB2 MET A 94 -7.773 -8.787 0.542 1.00 0.92 H new ATOM 0 HB3 MET A 94 -7.774 -7.212 1.311 1.00 0.92 H new ATOM 0 HG2 MET A 94 -7.456 -6.175 -0.954 1.00 0.85 H new ATOM 0 HG3 MET A 94 -7.625 -7.770 -1.660 1.00 0.85 H new ATOM 0 HE1 MET A 94 -10.967 -5.225 0.272 1.00 2.30 H new ATOM 0 HE2 MET A 94 -9.847 -6.079 1.360 1.00 2.30 H new ATOM 0 HE3 MET A 94 -9.227 -4.855 0.228 1.00 2.30 H new ATOM 18 N LYS A 95 -5.181 -10.034 1.472 1.00 1.12 N ATOM 19 CA LYS A 95 -4.786 -10.974 2.525 1.00 1.10 C ATOM 20 C LYS A 95 -3.835 -10.352 3.558 1.00 0.95 C ATOM 21 O LYS A 95 -4.135 -10.308 4.752 1.00 1.51 O ATOM 22 CB LYS A 95 -4.185 -12.231 1.867 1.00 1.19 C ATOM 23 CG LYS A 95 -3.196 -11.994 0.697 1.00 1.11 C ATOM 24 CD LYS A 95 -1.798 -12.468 1.092 1.00 1.05 C ATOM 25 CE LYS A 95 -0.686 -12.273 0.053 1.00 1.15 C ATOM 26 NZ LYS A 95 0.648 -12.534 0.664 1.00 2.15 N ATOM 0 H LYS A 95 -5.128 -10.417 0.528 1.00 1.12 H new ATOM 0 HA LYS A 95 -5.674 -11.251 3.093 1.00 1.10 H new ATOM 0 HB2 LYS A 95 -3.671 -12.806 2.637 1.00 1.19 H new ATOM 0 HB3 LYS A 95 -5.005 -12.849 1.501 1.00 1.19 H new ATOM 0 HG2 LYS A 95 -3.534 -12.530 -0.190 1.00 1.11 H new ATOM 0 HG3 LYS A 95 -3.171 -10.935 0.440 1.00 1.11 H new ATOM 0 HD2 LYS A 95 -1.507 -11.947 2.004 1.00 1.05 H new ATOM 0 HD3 LYS A 95 -1.854 -13.529 1.335 1.00 1.05 H new ATOM 0 HE2 LYS A 95 -0.845 -12.946 -0.790 1.00 1.15 H new ATOM 0 HE3 LYS A 95 -0.721 -11.257 -0.340 1.00 1.15 H new ATOM 0 HZ1 LYS A 95 1.379 -12.515 -0.076 1.00 2.15 H new ATOM 0 HZ2 LYS A 95 0.854 -11.802 1.373 1.00 2.15 H new ATOM 0 HZ3 LYS A 95 0.644 -13.468 1.122 1.00 2.15 H new ATOM 40 N ASP A 96 -2.724 -9.849 3.028 1.00 0.73 N ATOM 41 CA ASP A 96 -1.434 -9.574 3.662 1.00 0.65 C ATOM 42 C ASP A 96 -0.344 -9.437 2.563 1.00 0.61 C ATOM 43 O ASP A 96 0.428 -10.357 2.293 1.00 0.79 O ATOM 44 CB ASP A 96 -1.120 -10.682 4.663 1.00 0.87 C ATOM 45 CG ASP A 96 0.254 -10.493 5.297 1.00 1.15 C ATOM 46 OD1 ASP A 96 0.577 -9.310 5.547 1.00 1.85 O ATOM 47 OD2 ASP A 96 0.943 -11.516 5.484 1.00 2.37 O ATOM 0 H ASP A 96 -2.701 -9.597 2.040 1.00 0.73 H new ATOM 0 HA ASP A 96 -1.463 -8.634 4.213 1.00 0.65 H new ATOM 0 HB2 ASP A 96 -1.882 -10.696 5.442 1.00 0.87 H new ATOM 0 HB3 ASP A 96 -1.160 -11.649 4.161 1.00 0.87 H new ATOM 52 N PRO A 97 -0.398 -8.340 1.798 1.00 0.50 N ATOM 53 CA PRO A 97 0.413 -8.078 0.609 1.00 0.58 C ATOM 54 C PRO A 97 1.799 -7.531 0.954 1.00 0.55 C ATOM 55 O PRO A 97 2.814 -8.019 0.469 1.00 0.76 O ATOM 56 CB PRO A 97 -0.389 -7.013 -0.150 1.00 0.67 C ATOM 57 CG PRO A 97 -1.175 -6.284 0.948 1.00 0.54 C ATOM 58 CD PRO A 97 -1.448 -7.364 1.957 1.00 0.48 C ATOM 0 HA PRO A 97 0.592 -8.991 0.041 1.00 0.58 H new ATOM 0 HB2 PRO A 97 0.267 -6.331 -0.691 1.00 0.67 H new ATOM 0 HB3 PRO A 97 -1.056 -7.464 -0.885 1.00 0.67 H new ATOM 0 HG2 PRO A 97 -0.597 -5.467 1.380 1.00 0.54 H new ATOM 0 HG3 PRO A 97 -2.098 -5.852 0.562 1.00 0.54 H new ATOM 0 HD2 PRO A 97 -1.452 -6.959 2.969 1.00 0.48 H new ATOM 0 HD3 PRO A 97 -2.426 -7.814 1.790 1.00 0.48 H new ATOM 66 N ILE A 98 1.789 -6.460 1.745 1.00 0.59 N ATOM 67 CA ILE A 98 2.857 -5.547 2.110 1.00 0.67 C ATOM 68 C ILE A 98 2.527 -5.109 3.523 1.00 0.65 C ATOM 69 O ILE A 98 1.363 -4.870 3.848 1.00 0.60 O ATOM 70 CB ILE A 98 2.883 -4.279 1.226 1.00 0.78 C ATOM 71 CG1 ILE A 98 2.584 -4.472 -0.287 1.00 0.82 C ATOM 72 CG2 ILE A 98 4.208 -3.543 1.514 1.00 0.87 C ATOM 73 CD1 ILE A 98 3.769 -4.523 -1.247 1.00 0.88 C ATOM 0 H ILE A 98 0.919 -6.182 2.199 1.00 0.59 H new ATOM 0 HA ILE A 98 3.822 -6.042 1.998 1.00 0.67 H new ATOM 0 HB ILE A 98 2.028 -3.664 1.509 1.00 0.78 H new ATOM 0 HG12 ILE A 98 2.021 -5.398 -0.401 1.00 0.82 H new ATOM 0 HG13 ILE A 98 1.930 -3.660 -0.605 1.00 0.82 H new ATOM 0 HG21 ILE A 98 4.262 -2.640 0.906 1.00 0.87 H new ATOM 0 HG22 ILE A 98 4.253 -3.273 2.569 1.00 0.87 H new ATOM 0 HG23 ILE A 98 5.047 -4.195 1.270 1.00 0.87 H new ATOM 0 HD11 ILE A 98 3.406 -4.661 -2.266 1.00 0.88 H new ATOM 0 HD12 ILE A 98 4.328 -3.590 -1.185 1.00 0.88 H new ATOM 0 HD13 ILE A 98 4.420 -5.355 -0.978 1.00 0.88 H new ATOM 85 N ILE A 99 3.556 -4.935 4.328 1.00 0.72 N ATOM 86 CA ILE A 99 3.453 -4.536 5.725 1.00 0.73 C ATOM 87 C ILE A 99 3.997 -3.130 5.900 1.00 0.74 C ATOM 88 O ILE A 99 5.106 -2.811 5.483 1.00 0.90 O ATOM 89 CB ILE A 99 4.201 -5.553 6.601 1.00 0.80 C ATOM 90 CG1 ILE A 99 3.495 -6.925 6.538 1.00 0.78 C ATOM 91 CG2 ILE A 99 4.345 -5.064 8.051 1.00 0.86 C ATOM 92 CD1 ILE A 99 2.236 -7.050 7.410 1.00 0.77 C ATOM 0 H ILE A 99 4.519 -5.071 4.022 1.00 0.72 H new ATOM 0 HA ILE A 99 2.409 -4.525 6.037 1.00 0.73 H new ATOM 0 HB ILE A 99 5.211 -5.662 6.206 1.00 0.80 H new ATOM 0 HG12 ILE A 99 3.223 -7.129 5.502 1.00 0.78 H new ATOM 0 HG13 ILE A 99 4.205 -7.696 6.839 1.00 0.78 H new ATOM 0 HG21 ILE A 99 4.879 -5.812 8.636 1.00 0.86 H new ATOM 0 HG22 ILE A 99 4.902 -4.127 8.065 1.00 0.86 H new ATOM 0 HG23 ILE A 99 3.356 -4.905 8.481 1.00 0.86 H new ATOM 0 HD11 ILE A 99 1.813 -8.048 7.297 1.00 0.77 H new ATOM 0 HD12 ILE A 99 2.499 -6.883 8.455 1.00 0.77 H new ATOM 0 HD13 ILE A 99 1.502 -6.308 7.097 1.00 0.77 H new ATOM 104 N ILE A 100 3.202 -2.300 6.559 1.00 0.62 N ATOM 105 CA ILE A 100 3.521 -0.930 6.948 1.00 0.63 C ATOM 106 C ILE A 100 3.562 -0.900 8.466 1.00 0.65 C ATOM 107 O ILE A 100 2.520 -0.884 9.120 1.00 0.74 O ATOM 108 CB ILE A 100 2.463 0.010 6.346 1.00 0.59 C ATOM 109 CG1 ILE A 100 2.467 -0.120 4.793 1.00 0.57 C ATOM 110 CG2 ILE A 100 2.681 1.474 6.777 1.00 0.64 C ATOM 111 CD1 ILE A 100 3.826 0.171 4.130 1.00 0.63 C ATOM 0 H ILE A 100 2.266 -2.577 6.854 1.00 0.62 H new ATOM 0 HA ILE A 100 4.487 -0.592 6.573 1.00 0.63 H new ATOM 0 HB ILE A 100 1.487 -0.289 6.728 1.00 0.59 H new ATOM 0 HG12 ILE A 100 2.155 -1.130 4.525 1.00 0.57 H new ATOM 0 HG13 ILE A 100 1.723 0.563 4.382 1.00 0.57 H new ATOM 0 HG21 ILE A 100 1.912 2.103 6.329 1.00 0.64 H new ATOM 0 HG22 ILE A 100 2.622 1.546 7.863 1.00 0.64 H new ATOM 0 HG23 ILE A 100 3.663 1.809 6.444 1.00 0.64 H new ATOM 0 HD11 ILE A 100 3.736 0.057 3.050 1.00 0.63 H new ATOM 0 HD12 ILE A 100 4.133 1.191 4.363 1.00 0.63 H new ATOM 0 HD13 ILE A 100 4.572 -0.528 4.508 1.00 0.63 H new ATOM 123 N GLU A 101 4.789 -0.942 8.980 1.00 0.74 N ATOM 124 CA GLU A 101 5.080 -1.051 10.408 1.00 0.87 C ATOM 125 C GLU A 101 4.628 0.219 11.133 1.00 1.01 C ATOM 126 O GLU A 101 5.013 1.340 10.789 1.00 1.24 O ATOM 127 CB GLU A 101 6.558 -1.403 10.671 1.00 1.02 C ATOM 128 CG GLU A 101 6.684 -2.219 11.960 1.00 1.29 C ATOM 129 CD GLU A 101 8.131 -2.553 12.325 1.00 1.90 C ATOM 130 OE1 GLU A 101 8.777 -3.249 11.512 1.00 2.24 O ATOM 131 OE2 GLU A 101 8.553 -2.141 13.429 1.00 3.12 O ATOM 0 H GLU A 101 5.628 -0.900 8.402 1.00 0.74 H new ATOM 0 HA GLU A 101 4.508 -1.884 10.818 1.00 0.87 H new ATOM 0 HB2 GLU A 101 6.959 -1.971 9.832 1.00 1.02 H new ATOM 0 HB3 GLU A 101 7.149 -0.490 10.750 1.00 1.02 H new ATOM 0 HG2 GLU A 101 6.229 -1.663 12.780 1.00 1.29 H new ATOM 0 HG3 GLU A 101 6.121 -3.146 11.852 1.00 1.29 H new ATOM 138 N SER A 102 3.751 0.042 12.113 1.00 1.06 N ATOM 139 CA SER A 102 3.062 1.147 12.751 1.00 1.21 C ATOM 140 C SER A 102 2.841 0.877 14.232 1.00 1.67 C ATOM 141 O SER A 102 2.008 0.058 14.586 1.00 3.17 O ATOM 142 CB SER A 102 1.723 1.333 12.037 1.00 1.00 C ATOM 143 OG SER A 102 1.078 2.503 12.488 1.00 1.78 O ATOM 0 H SER A 102 3.500 -0.874 12.485 1.00 1.06 H new ATOM 0 HA SER A 102 3.666 2.051 12.678 1.00 1.21 H new ATOM 0 HB2 SER A 102 1.884 1.392 10.961 1.00 1.00 H new ATOM 0 HB3 SER A 102 1.085 0.467 12.217 1.00 1.00 H new ATOM 0 HG SER A 102 0.369 2.263 13.121 1.00 1.78 H new ATOM 149 N TYR A 103 3.534 1.602 15.117 1.00 1.05 N ATOM 150 CA TYR A 103 3.293 1.543 16.572 1.00 1.14 C ATOM 151 C TYR A 103 2.031 2.334 17.000 1.00 1.15 C ATOM 152 O TYR A 103 2.004 2.967 18.053 1.00 1.29 O ATOM 153 CB TYR A 103 4.579 1.940 17.321 1.00 1.39 C ATOM 154 CG TYR A 103 5.857 1.213 16.910 1.00 1.33 C ATOM 155 CD1 TYR A 103 5.809 -0.066 16.321 1.00 2.13 C ATOM 156 CD2 TYR A 103 7.109 1.833 17.098 1.00 2.30 C ATOM 157 CE1 TYR A 103 6.974 -0.676 15.822 1.00 2.16 C ATOM 158 CE2 TYR A 103 8.290 1.207 16.648 1.00 2.39 C ATOM 159 CZ TYR A 103 8.222 -0.030 15.966 1.00 1.49 C ATOM 160 OH TYR A 103 9.346 -0.577 15.429 1.00 1.74 O ATOM 0 H TYR A 103 4.278 2.247 14.850 1.00 1.05 H new ATOM 0 HA TYR A 103 3.060 0.517 16.856 1.00 1.14 H new ATOM 0 HB2 TYR A 103 4.736 3.010 17.186 1.00 1.39 H new ATOM 0 HB3 TYR A 103 4.419 1.773 18.386 1.00 1.39 H new ATOM 0 HD1 TYR A 103 4.865 -0.585 16.252 1.00 2.13 H new ATOM 0 HD2 TYR A 103 7.164 2.793 17.590 1.00 2.30 H new ATOM 0 HE1 TYR A 103 6.915 -1.636 15.330 1.00 2.16 H new ATOM 0 HE2 TYR A 103 9.248 1.673 16.825 1.00 2.39 H new ATOM 0 HH TYR A 103 9.097 -1.216 14.729 1.00 1.74 H new ATOM 170 N ASP A 104 1.023 2.301 16.130 1.00 1.16 N ATOM 171 CA ASP A 104 -0.253 3.016 16.118 1.00 1.06 C ATOM 172 C ASP A 104 -1.210 2.200 15.239 1.00 1.08 C ATOM 173 O ASP A 104 -0.827 1.791 14.140 1.00 1.99 O ATOM 174 CB ASP A 104 -0.105 4.399 15.454 1.00 1.07 C ATOM 175 CG ASP A 104 0.536 5.474 16.338 1.00 1.69 C ATOM 176 OD1 ASP A 104 -0.195 6.055 17.170 1.00 3.16 O ATOM 177 OD2 ASP A 104 1.729 5.799 16.089 1.00 1.97 O ATOM 0 H ASP A 104 1.091 1.695 15.313 1.00 1.16 H new ATOM 0 HA ASP A 104 -0.607 3.143 17.141 1.00 1.06 H new ATOM 0 HB2 ASP A 104 0.493 4.289 14.549 1.00 1.07 H new ATOM 0 HB3 ASP A 104 -1.091 4.745 15.144 1.00 1.07 H new ATOM 182 N ASP A 105 -2.467 2.045 15.657 1.00 1.14 N ATOM 183 CA ASP A 105 -3.519 1.366 14.883 1.00 0.97 C ATOM 184 C ASP A 105 -3.811 2.023 13.520 1.00 0.87 C ATOM 185 O ASP A 105 -4.498 1.434 12.686 1.00 1.00 O ATOM 186 CB ASP A 105 -4.812 1.334 15.733 1.00 1.00 C ATOM 187 CG ASP A 105 -4.964 0.131 16.677 1.00 1.90 C ATOM 188 OD1 ASP A 105 -4.013 -0.673 16.793 1.00 2.55 O ATOM 189 OD2 ASP A 105 -6.082 -0.003 17.227 1.00 2.98 O ATOM 0 H ASP A 105 -2.793 2.393 16.559 1.00 1.14 H new ATOM 0 HA ASP A 105 -3.159 0.361 14.662 1.00 0.97 H new ATOM 0 HB2 ASP A 105 -4.855 2.246 16.328 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -5.668 1.353 15.058 1.00 1.00 H new ATOM 194 N TYR A 106 -3.283 3.226 13.291 1.00 0.91 N ATOM 195 CA TYR A 106 -3.567 4.130 12.181 1.00 1.05 C ATOM 196 C TYR A 106 -2.278 4.800 11.653 1.00 1.46 C ATOM 197 O TYR A 106 -1.548 5.474 12.378 1.00 3.22 O ATOM 198 CB TYR A 106 -4.613 5.172 12.649 1.00 1.16 C ATOM 199 CG TYR A 106 -4.522 5.562 14.123 1.00 1.14 C ATOM 200 CD1 TYR A 106 -3.479 6.395 14.576 1.00 2.39 C ATOM 201 CD2 TYR A 106 -5.402 4.985 15.063 1.00 1.96 C ATOM 202 CE1 TYR A 106 -3.242 6.554 15.951 1.00 2.52 C ATOM 203 CE2 TYR A 106 -5.208 5.192 16.443 1.00 2.05 C ATOM 204 CZ TYR A 106 -4.103 5.950 16.893 1.00 1.51 C ATOM 205 OH TYR A 106 -3.839 6.072 18.221 1.00 1.86 O ATOM 0 H TYR A 106 -2.592 3.622 13.928 1.00 0.91 H new ATOM 0 HA TYR A 106 -3.977 3.565 11.344 1.00 1.05 H new ATOM 0 HB2 TYR A 106 -4.503 6.072 12.043 1.00 1.16 H new ATOM 0 HB3 TYR A 106 -5.610 4.776 12.454 1.00 1.16 H new ATOM 0 HD1 TYR A 106 -2.858 6.914 13.861 1.00 2.39 H new ATOM 0 HD2 TYR A 106 -6.230 4.381 14.722 1.00 1.96 H new ATOM 0 HE1 TYR A 106 -2.400 7.139 16.289 1.00 2.52 H new ATOM 0 HE2 TYR A 106 -5.902 4.772 17.156 1.00 2.05 H new ATOM 0 HH TYR A 106 -4.527 5.600 18.736 1.00 1.86 H new ATOM 215 N ARG A 107 -2.035 4.686 10.340 1.00 0.59 N ATOM 216 CA ARG A 107 -0.963 5.398 9.614 1.00 0.64 C ATOM 217 C ARG A 107 -1.334 5.771 8.182 1.00 0.81 C ATOM 218 O ARG A 107 -2.384 5.401 7.660 1.00 1.53 O ATOM 219 CB ARG A 107 0.360 4.590 9.632 1.00 1.01 C ATOM 220 CG ARG A 107 1.253 5.115 10.753 1.00 1.31 C ATOM 221 CD ARG A 107 2.686 4.562 10.727 1.00 1.99 C ATOM 222 NE ARG A 107 3.458 4.706 11.989 1.00 2.66 N ATOM 223 CZ ARG A 107 3.117 5.237 13.172 1.00 3.28 C ATOM 224 NH1 ARG A 107 2.073 6.000 13.390 1.00 3.83 N ATOM 225 NH2 ARG A 107 3.837 5.007 14.245 1.00 4.39 N ATOM 0 H ARG A 107 -2.590 4.082 9.734 1.00 0.59 H new ATOM 0 HA ARG A 107 -0.821 6.335 10.152 1.00 0.64 H new ATOM 0 HB2 ARG A 107 0.151 3.531 9.783 1.00 1.01 H new ATOM 0 HB3 ARG A 107 0.869 4.681 8.672 1.00 1.01 H new ATOM 0 HG2 ARG A 107 1.294 6.202 10.691 1.00 1.31 H new ATOM 0 HG3 ARG A 107 0.797 4.867 11.712 1.00 1.31 H new ATOM 0 HD2 ARG A 107 2.642 3.504 10.469 1.00 1.99 H new ATOM 0 HD3 ARG A 107 3.234 5.063 9.929 1.00 1.99 H new ATOM 0 HE ARG A 107 4.409 4.338 11.948 1.00 2.66 H new ATOM 0 HH11 ARG A 107 1.442 6.233 12.623 1.00 3.83 H new ATOM 0 HH12 ARG A 107 1.891 6.360 14.327 1.00 3.83 H new ATOM 0 HH21 ARG A 107 4.668 4.418 14.185 1.00 4.39 H new ATOM 0 HH22 ARG A 107 3.566 5.417 15.139 1.00 4.39 H new ATOM 239 N TYR A 108 -0.436 6.512 7.524 1.00 0.59 N ATOM 240 CA TYR A 108 -0.372 6.563 6.067 1.00 0.57 C ATOM 241 C TYR A 108 0.750 5.661 5.507 1.00 0.45 C ATOM 242 O TYR A 108 1.615 5.198 6.248 1.00 0.68 O ATOM 243 CB TYR A 108 -0.271 8.024 5.581 1.00 0.84 C ATOM 244 CG TYR A 108 1.151 8.484 5.354 1.00 0.93 C ATOM 245 CD1 TYR A 108 1.932 8.888 6.454 1.00 1.95 C ATOM 246 CD2 TYR A 108 1.724 8.378 4.070 1.00 2.01 C ATOM 247 CE1 TYR A 108 3.301 9.160 6.285 1.00 2.04 C ATOM 248 CE2 TYR A 108 3.099 8.626 3.909 1.00 2.31 C ATOM 249 CZ TYR A 108 3.891 9.016 5.010 1.00 1.61 C ATOM 250 OH TYR A 108 5.223 9.231 4.836 1.00 2.06 O ATOM 0 H TYR A 108 0.264 7.091 7.989 1.00 0.59 H new ATOM 0 HA TYR A 108 -1.301 6.156 5.668 1.00 0.57 H new ATOM 0 HB2 TYR A 108 -0.832 8.130 4.652 1.00 0.84 H new ATOM 0 HB3 TYR A 108 -0.743 8.677 6.315 1.00 0.84 H new ATOM 0 HD1 TYR A 108 1.479 8.989 7.429 1.00 1.95 H new ATOM 0 HD2 TYR A 108 1.114 8.110 3.220 1.00 2.01 H new ATOM 0 HE1 TYR A 108 3.899 9.478 7.127 1.00 2.04 H new ATOM 0 HE2 TYR A 108 3.552 8.517 2.935 1.00 2.31 H new ATOM 0 HH TYR A 108 5.458 9.086 3.896 1.00 2.06 H new ATOM 260 N VAL A 109 0.733 5.447 4.196 1.00 0.47 N ATOM 261 CA VAL A 109 1.816 4.840 3.403 1.00 0.45 C ATOM 262 C VAL A 109 2.085 5.667 2.148 1.00 0.44 C ATOM 263 O VAL A 109 1.133 6.209 1.596 1.00 0.43 O ATOM 264 CB VAL A 109 1.449 3.398 3.012 1.00 0.54 C ATOM 265 CG1 VAL A 109 0.137 3.266 2.233 1.00 0.68 C ATOM 266 CG2 VAL A 109 2.577 2.740 2.225 1.00 0.69 C ATOM 0 H VAL A 109 -0.071 5.701 3.622 1.00 0.47 H new ATOM 0 HA VAL A 109 2.720 4.821 4.012 1.00 0.45 H new ATOM 0 HB VAL A 109 1.299 2.882 3.960 1.00 0.54 H new ATOM 0 HG11 VAL A 109 -0.043 2.217 1.999 1.00 0.68 H new ATOM 0 HG12 VAL A 109 -0.685 3.649 2.837 1.00 0.68 H new ATOM 0 HG13 VAL A 109 0.204 3.838 1.307 1.00 0.68 H new ATOM 0 HG21 VAL A 109 2.291 1.722 1.962 1.00 0.69 H new ATOM 0 HG22 VAL A 109 2.767 3.310 1.316 1.00 0.69 H new ATOM 0 HG23 VAL A 109 3.480 2.717 2.834 1.00 0.69 H new ATOM 276 N GLY A 110 3.340 5.751 1.687 1.00 0.54 N ATOM 277 CA GLY A 110 3.696 6.351 0.390 1.00 0.62 C ATOM 278 C GLY A 110 4.591 5.462 -0.476 1.00 0.54 C ATOM 279 O GLY A 110 5.778 5.344 -0.185 1.00 0.71 O ATOM 0 H GLY A 110 4.145 5.402 2.207 1.00 0.54 H new ATOM 0 HA2 GLY A 110 2.782 6.575 -0.159 1.00 0.62 H new ATOM 0 HA3 GLY A 110 4.203 7.300 0.566 1.00 0.62 H new ATOM 283 N CYS A 111 4.031 4.895 -1.550 1.00 0.53 N ATOM 284 CA CYS A 111 4.722 4.145 -2.596 1.00 0.59 C ATOM 285 C CYS A 111 4.786 4.873 -3.961 1.00 0.55 C ATOM 286 O CYS A 111 4.037 5.819 -4.257 1.00 0.51 O ATOM 287 CB CYS A 111 4.027 2.781 -2.711 1.00 0.80 C ATOM 288 SG CYS A 111 2.417 2.705 -3.604 1.00 0.91 S ATOM 0 H CYS A 111 3.027 4.952 -1.719 1.00 0.53 H new ATOM 0 HA CYS A 111 5.768 4.033 -2.312 1.00 0.59 H new ATOM 0 HB2 CYS A 111 4.716 2.096 -3.205 1.00 0.80 H new ATOM 0 HB3 CYS A 111 3.868 2.401 -1.702 1.00 0.80 H new ATOM 293 N THR A 112 5.686 4.363 -4.812 1.00 0.68 N ATOM 294 CA THR A 112 5.938 4.853 -6.176 1.00 0.69 C ATOM 295 C THR A 112 5.813 3.791 -7.271 1.00 0.71 C ATOM 296 O THR A 112 6.093 4.088 -8.427 1.00 0.89 O ATOM 297 CB THR A 112 7.311 5.528 -6.274 1.00 0.80 C ATOM 298 OG1 THR A 112 8.280 4.664 -5.727 1.00 0.86 O ATOM 299 CG2 THR A 112 7.340 6.829 -5.485 1.00 0.81 C ATOM 0 H THR A 112 6.279 3.572 -4.563 1.00 0.68 H new ATOM 0 HA THR A 112 5.144 5.578 -6.359 1.00 0.69 H new ATOM 0 HB THR A 112 7.515 5.743 -7.323 1.00 0.80 H new ATOM 0 HG1 THR A 112 9.163 5.084 -5.786 1.00 0.86 H new ATOM 0 HG21 THR A 112 8.326 7.286 -5.573 1.00 0.81 H new ATOM 0 HG22 THR A 112 6.588 7.511 -5.881 1.00 0.81 H new ATOM 0 HG23 THR A 112 7.127 6.623 -4.436 1.00 0.81 H new ATOM 307 N GLY A 113 5.388 2.560 -6.956 1.00 0.77 N ATOM 308 CA GLY A 113 5.123 1.501 -7.949 1.00 0.82 C ATOM 309 C GLY A 113 6.019 0.266 -7.878 1.00 1.23 C ATOM 310 O GLY A 113 5.649 -0.803 -8.356 1.00 2.11 O ATOM 0 H GLY A 113 5.216 2.265 -5.995 1.00 0.77 H new ATOM 0 HA2 GLY A 113 4.088 1.179 -7.838 1.00 0.82 H new ATOM 0 HA3 GLY A 113 5.217 1.935 -8.945 1.00 0.82 H new ATOM 314 N SER A 114 7.197 0.399 -7.276 1.00 1.68 N ATOM 315 CA SER A 114 8.242 -0.632 -7.104 1.00 1.94 C ATOM 316 C SER A 114 9.402 -0.056 -6.252 1.00 1.65 C ATOM 317 O SER A 114 9.335 1.135 -5.930 1.00 1.57 O ATOM 318 CB SER A 114 8.704 -1.196 -8.476 1.00 2.58 C ATOM 319 OG SER A 114 9.976 -0.725 -8.887 1.00 3.90 O ATOM 0 H SER A 114 7.476 1.289 -6.863 1.00 1.68 H new ATOM 0 HA SER A 114 7.833 -1.484 -6.561 1.00 1.94 H new ATOM 0 HB2 SER A 114 8.730 -2.284 -8.421 1.00 2.58 H new ATOM 0 HB3 SER A 114 7.967 -0.932 -9.234 1.00 2.58 H new ATOM 0 HG SER A 114 9.866 0.081 -9.433 1.00 3.90 H new ATOM 325 N PRO A 115 10.468 -0.813 -5.899 1.00 1.85 N ATOM 326 CA PRO A 115 11.666 -0.244 -5.272 1.00 1.89 C ATOM 327 C PRO A 115 12.362 0.822 -6.133 1.00 1.70 C ATOM 328 O PRO A 115 13.018 1.702 -5.586 1.00 2.10 O ATOM 329 CB PRO A 115 12.611 -1.423 -5.007 1.00 2.49 C ATOM 330 CG PRO A 115 12.128 -2.512 -5.962 1.00 2.73 C ATOM 331 CD PRO A 115 10.628 -2.256 -6.046 1.00 2.36 C ATOM 0 HA PRO A 115 11.383 0.276 -4.357 1.00 1.89 H new ATOM 0 HB2 PRO A 115 13.649 -1.153 -5.203 1.00 2.49 H new ATOM 0 HB3 PRO A 115 12.557 -1.751 -3.969 1.00 2.49 H new ATOM 0 HG2 PRO A 115 12.606 -2.433 -6.938 1.00 2.73 H new ATOM 0 HG3 PRO A 115 12.346 -3.509 -5.580 1.00 2.73 H new ATOM 0 HD2 PRO A 115 10.224 -2.600 -6.998 1.00 2.36 H new ATOM 0 HD3 PRO A 115 10.094 -2.792 -5.261 1.00 2.36 H new ATOM 339 N ALA A 116 12.212 0.770 -7.461 1.00 1.71 N ATOM 340 CA ALA A 116 12.678 1.812 -8.384 1.00 1.77 C ATOM 341 C ALA A 116 11.675 2.936 -8.619 1.00 1.47 C ATOM 342 O ALA A 116 11.917 3.838 -9.419 1.00 2.20 O ATOM 343 CB ALA A 116 13.000 1.123 -9.713 1.00 2.38 C ATOM 0 H ALA A 116 11.756 -0.011 -7.933 1.00 1.71 H new ATOM 0 HA ALA A 116 13.548 2.293 -7.937 1.00 1.77 H new ATOM 0 HB1 ALA A 116 13.351 1.864 -10.431 1.00 2.38 H new ATOM 0 HB2 ALA A 116 13.776 0.374 -9.556 1.00 2.38 H new ATOM 0 HB3 ALA A 116 12.102 0.640 -10.099 1.00 2.38 H new ATOM 349 N GLY A 117 10.504 2.822 -8.006 1.00 1.03 N ATOM 350 CA GLY A 117 9.307 3.390 -8.571 1.00 1.52 C ATOM 351 C GLY A 117 8.830 2.595 -9.782 1.00 1.88 C ATOM 352 O GLY A 117 9.281 1.493 -10.085 1.00 3.54 O ATOM 0 H GLY A 117 10.367 2.340 -7.118 1.00 1.03 H new ATOM 0 HA2 GLY A 117 8.521 3.411 -7.816 1.00 1.52 H new ATOM 0 HA3 GLY A 117 9.496 4.423 -8.864 1.00 1.52 H new ATOM 356 N SER A 118 7.884 3.199 -10.463 1.00 0.97 N ATOM 357 CA SER A 118 7.224 2.752 -11.696 1.00 1.02 C ATOM 358 C SER A 118 6.218 3.791 -12.174 1.00 1.00 C ATOM 359 O SER A 118 6.041 3.954 -13.374 1.00 1.16 O ATOM 360 CB SER A 118 6.422 1.457 -11.501 1.00 1.07 C ATOM 361 OG SER A 118 6.144 0.874 -12.760 1.00 2.53 O ATOM 0 H SER A 118 7.514 4.097 -10.151 1.00 0.97 H new ATOM 0 HA SER A 118 8.029 2.595 -12.413 1.00 1.02 H new ATOM 0 HB2 SER A 118 6.986 0.758 -10.882 1.00 1.07 H new ATOM 0 HB3 SER A 118 5.492 1.670 -10.975 1.00 1.07 H new ATOM 0 HG SER A 118 5.634 0.047 -12.632 1.00 2.53 H new ATOM 367 N HIS A 119 5.545 4.446 -11.226 1.00 0.86 N ATOM 368 CA HIS A 119 4.582 5.512 -11.457 1.00 0.78 C ATOM 369 C HIS A 119 5.055 6.828 -10.790 1.00 0.79 C ATOM 370 O HIS A 119 6.262 7.033 -10.626 1.00 1.36 O ATOM 371 CB HIS A 119 3.223 4.948 -11.006 1.00 0.70 C ATOM 372 CG HIS A 119 2.984 4.837 -9.509 1.00 0.55 C ATOM 373 ND1 HIS A 119 2.665 5.856 -8.679 1.00 0.61 N ATOM 374 CD2 HIS A 119 2.826 3.676 -8.815 1.00 0.43 C ATOM 375 CE1 HIS A 119 2.415 5.383 -7.461 1.00 0.49 C ATOM 376 NE2 HIS A 119 2.441 4.043 -7.510 1.00 0.39 N ATOM 0 H HIS A 119 5.665 4.235 -10.235 1.00 0.86 H new ATOM 0 HA HIS A 119 4.482 5.808 -12.501 1.00 0.78 H new ATOM 0 HB2 HIS A 119 2.439 5.576 -11.429 1.00 0.70 H new ATOM 0 HB3 HIS A 119 3.107 3.956 -11.442 1.00 0.70 H new ATOM 0 HD1 HIS A 119 2.622 6.839 -8.947 1.00 0.61 H new ATOM 0 HD2 HIS A 119 2.968 2.673 -9.190 1.00 0.43 H new ATOM 0 HE1 HIS A 119 2.223 5.978 -6.580 1.00 0.49 H new ATOM 384 N THR A 120 4.135 7.730 -10.413 1.00 0.83 N ATOM 385 CA THR A 120 4.431 8.885 -9.535 1.00 0.80 C ATOM 386 C THR A 120 4.608 8.469 -8.071 1.00 0.71 C ATOM 387 O THR A 120 4.918 7.326 -7.791 1.00 0.69 O ATOM 388 CB THR A 120 3.368 9.951 -9.779 1.00 0.82 C ATOM 389 OG1 THR A 120 3.861 11.175 -9.286 1.00 0.89 O ATOM 390 CG2 THR A 120 2.032 9.625 -9.118 1.00 0.74 C ATOM 0 H THR A 120 3.159 7.683 -10.707 1.00 0.83 H new ATOM 0 HA THR A 120 5.398 9.321 -9.786 1.00 0.80 H new ATOM 0 HB THR A 120 3.173 10.001 -10.850 1.00 0.82 H new ATOM 0 HG1 THR A 120 3.195 11.879 -9.433 1.00 0.89 H new ATOM 0 HG21 THR A 120 1.318 10.421 -9.328 1.00 0.74 H new ATOM 0 HG22 THR A 120 1.651 8.683 -9.512 1.00 0.74 H new ATOM 0 HG23 THR A 120 2.171 9.538 -8.040 1.00 0.74 H new ATOM 398 N ILE A 121 4.385 9.371 -7.125 1.00 0.74 N ATOM 399 CA ILE A 121 4.175 9.133 -5.694 1.00 0.71 C ATOM 400 C ILE A 121 2.704 9.387 -5.335 1.00 0.73 C ATOM 401 O ILE A 121 2.061 10.267 -5.900 1.00 0.87 O ATOM 402 CB ILE A 121 5.140 10.030 -4.896 1.00 0.82 C ATOM 403 CG1 ILE A 121 5.087 9.757 -3.378 1.00 0.84 C ATOM 404 CG2 ILE A 121 4.867 11.523 -5.098 1.00 0.88 C ATOM 405 CD1 ILE A 121 5.970 8.606 -2.934 1.00 0.96 C ATOM 0 H ILE A 121 4.342 10.365 -7.350 1.00 0.74 H new ATOM 0 HA ILE A 121 4.390 8.095 -5.438 1.00 0.71 H new ATOM 0 HB ILE A 121 6.125 9.777 -5.288 1.00 0.82 H new ATOM 0 HG12 ILE A 121 5.386 10.659 -2.845 1.00 0.84 H new ATOM 0 HG13 ILE A 121 4.057 9.544 -3.092 1.00 0.84 H new ATOM 0 HG21 ILE A 121 5.578 12.105 -4.511 1.00 0.88 H new ATOM 0 HG22 ILE A 121 4.976 11.773 -6.153 1.00 0.88 H new ATOM 0 HG23 ILE A 121 3.853 11.755 -4.773 1.00 0.88 H new ATOM 0 HD11 ILE A 121 5.881 8.474 -1.856 1.00 0.96 H new ATOM 0 HD12 ILE A 121 5.657 7.692 -3.439 1.00 0.96 H new ATOM 0 HD13 ILE A 121 7.007 8.824 -3.188 1.00 0.96 H new ATOM 417 N MET A 122 2.169 8.633 -4.382 1.00 0.65 N ATOM 418 CA MET A 122 0.830 8.827 -3.808 1.00 0.76 C ATOM 419 C MET A 122 0.845 8.553 -2.298 1.00 0.76 C ATOM 420 O MET A 122 1.898 8.214 -1.761 1.00 1.00 O ATOM 421 CB MET A 122 -0.192 7.984 -4.592 1.00 1.01 C ATOM 422 CG MET A 122 0.165 6.503 -4.750 1.00 0.98 C ATOM 423 SD MET A 122 -0.400 5.454 -3.418 1.00 3.15 S ATOM 424 CE MET A 122 1.008 5.372 -2.301 1.00 4.52 C ATOM 0 H MET A 122 2.666 7.843 -3.970 1.00 0.65 H new ATOM 0 HA MET A 122 0.519 9.867 -3.910 1.00 0.76 H new ATOM 0 HB2 MET A 122 -1.158 8.057 -4.092 1.00 1.01 H new ATOM 0 HB3 MET A 122 -0.313 8.419 -5.584 1.00 1.01 H new ATOM 0 HG2 MET A 122 -0.258 6.139 -5.686 1.00 0.98 H new ATOM 0 HG3 MET A 122 1.248 6.411 -4.833 1.00 0.98 H new ATOM 0 HE1 MET A 122 1.140 4.346 -1.957 1.00 4.52 H new ATOM 0 HE2 MET A 122 1.907 5.697 -2.824 1.00 4.52 H new ATOM 0 HE3 MET A 122 0.831 6.023 -1.444 1.00 4.52 H new ATOM 434 N TRP A 123 -0.300 8.681 -1.611 1.00 0.61 N ATOM 435 CA TRP A 123 -0.399 8.462 -0.161 1.00 0.58 C ATOM 436 C TRP A 123 -1.699 7.726 0.218 1.00 0.58 C ATOM 437 O TRP A 123 -2.784 8.219 -0.098 1.00 0.77 O ATOM 438 CB TRP A 123 -0.284 9.804 0.594 1.00 0.70 C ATOM 439 CG TRP A 123 0.667 10.823 0.033 1.00 0.83 C ATOM 440 CD1 TRP A 123 0.318 11.943 -0.640 1.00 1.15 C ATOM 441 CD2 TRP A 123 2.129 10.829 0.069 1.00 0.95 C ATOM 442 NE1 TRP A 123 1.453 12.635 -1.017 1.00 1.24 N ATOM 443 CE2 TRP A 123 2.600 12.000 -0.594 1.00 1.05 C ATOM 444 CE3 TRP A 123 3.104 9.952 0.581 1.00 1.32 C ATOM 445 CZ2 TRP A 123 3.966 12.301 -0.717 1.00 1.22 C ATOM 446 CZ3 TRP A 123 4.480 10.243 0.475 1.00 1.62 C ATOM 447 CH2 TRP A 123 4.911 11.418 -0.167 1.00 1.48 C ATOM 0 H TRP A 123 -1.185 8.940 -2.047 1.00 0.61 H new ATOM 0 HA TRP A 123 0.432 7.822 0.137 1.00 0.58 H new ATOM 0 HB2 TRP A 123 -1.276 10.254 0.638 1.00 0.70 H new ATOM 0 HB3 TRP A 123 0.015 9.591 1.620 1.00 0.70 H new ATOM 0 HD1 TRP A 123 -0.696 12.250 -0.851 1.00 1.15 H new ATOM 0 HE1 TRP A 123 1.443 13.508 -1.544 1.00 1.24 H new ATOM 0 HE3 TRP A 123 2.792 9.038 1.065 1.00 1.32 H new ATOM 0 HZ2 TRP A 123 4.286 13.198 -1.227 1.00 1.22 H new ATOM 0 HZ3 TRP A 123 5.207 9.560 0.889 1.00 1.62 H new ATOM 0 HH2 TRP A 123 5.965 11.641 -0.237 1.00 1.48 H new ATOM 458 N LEU A 124 -1.620 6.581 0.914 1.00 0.50 N ATOM 459 CA LEU A 124 -2.790 5.779 1.327 1.00 0.59 C ATOM 460 C LEU A 124 -2.853 5.684 2.847 1.00 0.69 C ATOM 461 O LEU A 124 -1.914 6.103 3.519 1.00 0.83 O ATOM 462 CB LEU A 124 -2.775 4.359 0.714 1.00 0.62 C ATOM 463 CG LEU A 124 -2.120 4.238 -0.669 1.00 0.57 C ATOM 464 CD1 LEU A 124 -1.828 2.781 -1.019 1.00 0.68 C ATOM 465 CD2 LEU A 124 -3.044 4.866 -1.714 1.00 0.62 C ATOM 0 H LEU A 124 -0.731 6.178 1.211 1.00 0.50 H new ATOM 0 HA LEU A 124 -3.677 6.289 0.952 1.00 0.59 H new ATOM 0 HB2 LEU A 124 -2.255 3.692 1.402 1.00 0.62 H new ATOM 0 HB3 LEU A 124 -3.803 4.004 0.641 1.00 0.62 H new ATOM 0 HG LEU A 124 -1.167 4.766 -0.656 1.00 0.57 H new ATOM 0 HD11 LEU A 124 -1.364 2.729 -2.004 1.00 0.68 H new ATOM 0 HD12 LEU A 124 -1.151 2.357 -0.277 1.00 0.68 H new ATOM 0 HD13 LEU A 124 -2.759 2.215 -1.026 1.00 0.68 H new ATOM 0 HD21 LEU A 124 -2.587 4.785 -2.700 1.00 0.62 H new ATOM 0 HD22 LEU A 124 -4.001 4.344 -1.714 1.00 0.62 H new ATOM 0 HD23 LEU A 124 -3.204 5.917 -1.474 1.00 0.62 H new ATOM 477 N LYS A 125 -3.926 5.123 3.414 1.00 0.72 N ATOM 478 CA LYS A 125 -4.135 5.056 4.873 1.00 0.83 C ATOM 479 C LYS A 125 -4.724 3.702 5.331 1.00 0.85 C ATOM 480 O LYS A 125 -5.946 3.566 5.337 1.00 1.06 O ATOM 481 CB LYS A 125 -5.051 6.219 5.311 1.00 1.10 C ATOM 482 CG LYS A 125 -4.448 7.620 5.124 1.00 2.66 C ATOM 483 CD LYS A 125 -5.449 8.684 5.595 1.00 3.64 C ATOM 484 CE LYS A 125 -4.888 10.090 5.349 1.00 5.69 C ATOM 485 NZ LYS A 125 -5.855 11.144 5.747 1.00 6.97 N ATOM 0 H LYS A 125 -4.681 4.699 2.875 1.00 0.72 H new ATOM 0 HA LYS A 125 -3.160 5.146 5.352 1.00 0.83 H new ATOM 0 HB2 LYS A 125 -5.982 6.161 4.747 1.00 1.10 H new ATOM 0 HB3 LYS A 125 -5.306 6.086 6.362 1.00 1.10 H new ATOM 0 HG2 LYS A 125 -3.520 7.705 5.689 1.00 2.66 H new ATOM 0 HG3 LYS A 125 -4.198 7.781 4.075 1.00 2.66 H new ATOM 0 HD2 LYS A 125 -6.394 8.564 5.064 1.00 3.64 H new ATOM 0 HD3 LYS A 125 -5.660 8.550 6.656 1.00 3.64 H new ATOM 0 HE2 LYS A 125 -3.962 10.215 5.910 1.00 5.69 H new ATOM 0 HE3 LYS A 125 -4.640 10.203 4.294 1.00 5.69 H new ATOM 0 HZ1 LYS A 125 -5.441 12.081 5.566 1.00 6.97 H new ATOM 0 HZ2 LYS A 125 -6.730 11.039 5.194 1.00 6.97 H new ATOM 0 HZ3 LYS A 125 -6.072 11.051 6.760 1.00 6.97 H new ATOM 499 N PRO A 126 -3.890 2.702 5.682 1.00 0.77 N ATOM 500 CA PRO A 126 -4.353 1.454 6.270 1.00 1.06 C ATOM 501 C PRO A 126 -4.494 1.594 7.797 1.00 1.41 C ATOM 502 O PRO A 126 -3.989 2.549 8.397 1.00 2.69 O ATOM 503 CB PRO A 126 -3.291 0.430 5.869 1.00 1.03 C ATOM 504 CG PRO A 126 -2.009 1.255 5.972 1.00 0.77 C ATOM 505 CD PRO A 126 -2.443 2.645 5.495 1.00 0.65 C ATOM 0 HA PRO A 126 -5.341 1.155 5.921 1.00 1.06 H new ATOM 0 HB2 PRO A 126 -3.279 -0.430 6.538 1.00 1.03 H new ATOM 0 HB3 PRO A 126 -3.451 0.047 4.861 1.00 1.03 H new ATOM 0 HG2 PRO A 126 -1.629 1.281 6.993 1.00 0.77 H new ATOM 0 HG3 PRO A 126 -1.216 0.845 5.347 1.00 0.77 H new ATOM 0 HD2 PRO A 126 -1.945 3.427 6.068 1.00 0.65 H new ATOM 0 HD3 PRO A 126 -2.179 2.798 4.449 1.00 0.65 H new ATOM 513 N THR A 127 -5.159 0.605 8.404 1.00 0.73 N ATOM 514 CA THR A 127 -5.505 0.517 9.833 1.00 0.74 C ATOM 515 C THR A 127 -5.304 -0.920 10.293 1.00 0.71 C ATOM 516 O THR A 127 -5.433 -1.836 9.490 1.00 0.71 O ATOM 517 CB THR A 127 -6.966 0.933 10.053 1.00 0.86 C ATOM 518 OG1 THR A 127 -7.140 2.252 9.589 1.00 1.37 O ATOM 519 CG2 THR A 127 -7.522 0.848 11.474 1.00 0.88 C ATOM 0 H THR A 127 -5.492 -0.206 7.882 1.00 0.73 H new ATOM 0 HA THR A 127 -4.865 1.188 10.407 1.00 0.74 H new ATOM 0 HB THR A 127 -7.533 0.189 9.495 1.00 0.86 H new ATOM 0 HG1 THR A 127 -8.071 2.526 9.724 1.00 1.37 H new ATOM 0 HG21 THR A 127 -8.563 1.172 11.478 1.00 0.88 H new ATOM 0 HG22 THR A 127 -7.461 -0.181 11.827 1.00 0.88 H new ATOM 0 HG23 THR A 127 -6.939 1.492 12.132 1.00 0.88 H new ATOM 527 N VAL A 128 -5.018 -1.133 11.569 1.00 0.73 N ATOM 528 CA VAL A 128 -4.645 -2.430 12.186 1.00 0.72 C ATOM 529 C VAL A 128 -5.447 -3.670 11.746 1.00 0.52 C ATOM 530 O VAL A 128 -4.863 -4.724 11.498 1.00 0.60 O ATOM 531 CB VAL A 128 -4.659 -2.305 13.726 1.00 0.98 C ATOM 532 CG1 VAL A 128 -5.988 -1.671 14.177 1.00 1.01 C ATOM 533 CG2 VAL A 128 -4.359 -3.648 14.420 1.00 1.21 C ATOM 0 H VAL A 128 -5.036 -0.375 12.252 1.00 0.73 H new ATOM 0 HA VAL A 128 -3.642 -2.623 11.806 1.00 0.72 H new ATOM 0 HB VAL A 128 -3.851 -1.643 14.037 1.00 0.98 H new ATOM 0 HG11 VAL A 128 -5.999 -1.582 15.263 1.00 1.01 H new ATOM 0 HG12 VAL A 128 -6.089 -0.681 13.731 1.00 1.01 H new ATOM 0 HG13 VAL A 128 -6.818 -2.300 13.856 1.00 1.01 H new ATOM 0 HG21 VAL A 128 -4.379 -3.511 15.501 1.00 1.21 H new ATOM 0 HG22 VAL A 128 -5.112 -4.382 14.133 1.00 1.21 H new ATOM 0 HG23 VAL A 128 -3.373 -4.002 14.118 1.00 1.21 H new ATOM 543 N ASN A 129 -6.775 -3.563 11.647 1.00 0.65 N ATOM 544 CA ASN A 129 -7.673 -4.670 11.300 1.00 0.92 C ATOM 545 C ASN A 129 -7.902 -4.801 9.783 1.00 0.83 C ATOM 546 O ASN A 129 -8.696 -5.630 9.346 1.00 1.01 O ATOM 547 CB ASN A 129 -8.984 -4.493 12.085 1.00 1.40 C ATOM 548 CG ASN A 129 -8.823 -4.939 13.535 1.00 1.77 C ATOM 549 OD1 ASN A 129 -8.963 -6.110 13.852 1.00 2.09 O ATOM 550 ND2 ASN A 129 -8.504 -4.043 14.451 1.00 1.99 N ATOM 0 H ASN A 129 -7.268 -2.685 11.809 1.00 0.65 H new ATOM 0 HA ASN A 129 -7.206 -5.612 11.586 1.00 0.92 H new ATOM 0 HB2 ASN A 129 -9.290 -3.447 12.055 1.00 1.40 H new ATOM 0 HB3 ASN A 129 -9.776 -5.071 11.610 1.00 1.40 H new ATOM 0 HD21 ASN A 129 -8.375 -4.329 15.421 1.00 1.99 H new ATOM 0 HD22 ASN A 129 -8.387 -3.064 14.188 1.00 1.99 H new ATOM 557 N GLU A 130 -7.230 -3.970 8.990 1.00 0.62 N ATOM 558 CA GLU A 130 -7.712 -3.481 7.711 1.00 0.53 C ATOM 559 C GLU A 130 -6.635 -3.394 6.644 1.00 0.40 C ATOM 560 O GLU A 130 -5.475 -3.764 6.846 1.00 0.54 O ATOM 561 CB GLU A 130 -8.295 -2.083 7.973 1.00 0.89 C ATOM 562 CG GLU A 130 -9.793 -2.194 8.185 1.00 0.89 C ATOM 563 CD GLU A 130 -10.520 -2.236 6.835 1.00 2.30 C ATOM 564 OE1 GLU A 130 -9.826 -2.516 5.823 1.00 3.30 O ATOM 565 OE2 GLU A 130 -11.736 -1.965 6.835 1.00 3.30 O ATOM 0 H GLU A 130 -6.307 -3.610 9.232 1.00 0.62 H new ATOM 0 HA GLU A 130 -8.450 -4.183 7.322 1.00 0.53 H new ATOM 0 HB2 GLU A 130 -7.824 -1.639 8.850 1.00 0.89 H new ATOM 0 HB3 GLU A 130 -8.084 -1.425 7.130 1.00 0.89 H new ATOM 0 HG2 GLU A 130 -10.021 -3.094 8.756 1.00 0.89 H new ATOM 0 HG3 GLU A 130 -10.148 -1.346 8.771 1.00 0.89 H new ATOM 572 N VAL A 131 -7.068 -2.904 5.488 1.00 0.46 N ATOM 573 CA VAL A 131 -6.264 -2.764 4.274 1.00 0.52 C ATOM 574 C VAL A 131 -6.551 -1.455 3.532 1.00 0.59 C ATOM 575 O VAL A 131 -7.659 -0.927 3.582 1.00 0.61 O ATOM 576 CB VAL A 131 -6.447 -3.952 3.318 1.00 0.50 C ATOM 577 CG1 VAL A 131 -5.758 -5.198 3.876 1.00 0.47 C ATOM 578 CG2 VAL A 131 -7.894 -4.300 2.969 1.00 0.46 C ATOM 0 H VAL A 131 -8.027 -2.580 5.363 1.00 0.46 H new ATOM 0 HA VAL A 131 -5.227 -2.746 4.609 1.00 0.52 H new ATOM 0 HB VAL A 131 -5.985 -3.622 2.387 1.00 0.50 H new ATOM 0 HG11 VAL A 131 -5.897 -6.030 3.186 1.00 0.47 H new ATOM 0 HG12 VAL A 131 -4.693 -5.001 3.997 1.00 0.47 H new ATOM 0 HG13 VAL A 131 -6.192 -5.451 4.843 1.00 0.47 H new ATOM 0 HG21 VAL A 131 -7.910 -5.152 2.289 1.00 0.46 H new ATOM 0 HG22 VAL A 131 -8.437 -4.552 3.880 1.00 0.46 H new ATOM 0 HG23 VAL A 131 -8.368 -3.444 2.489 1.00 0.46 H new ATOM 588 N ALA A 132 -5.552 -0.953 2.798 1.00 0.66 N ATOM 589 CA ALA A 132 -5.716 0.135 1.832 1.00 0.63 C ATOM 590 C ALA A 132 -5.100 -0.267 0.485 1.00 0.57 C ATOM 591 O ALA A 132 -4.055 -0.915 0.470 1.00 0.57 O ATOM 592 CB ALA A 132 -5.067 1.405 2.397 1.00 0.65 C ATOM 0 H ALA A 132 -4.594 -1.297 2.860 1.00 0.66 H new ATOM 0 HA ALA A 132 -6.774 0.335 1.662 1.00 0.63 H new ATOM 0 HB1 ALA A 132 -5.184 2.221 1.684 1.00 0.65 H new ATOM 0 HB2 ALA A 132 -5.549 1.672 3.337 1.00 0.65 H new ATOM 0 HB3 ALA A 132 -4.006 1.225 2.571 1.00 0.65 H new ATOM 598 N ARG A 133 -5.718 0.138 -0.633 1.00 0.63 N ATOM 599 CA ARG A 133 -5.197 -0.095 -1.988 1.00 0.58 C ATOM 600 C ARG A 133 -4.761 1.210 -2.652 1.00 0.51 C ATOM 601 O ARG A 133 -5.462 2.217 -2.543 1.00 0.56 O ATOM 602 CB ARG A 133 -6.244 -0.810 -2.865 1.00 0.62 C ATOM 603 CG ARG A 133 -5.580 -1.469 -4.088 1.00 0.67 C ATOM 604 CD ARG A 133 -6.561 -2.138 -5.057 1.00 1.05 C ATOM 605 NE ARG A 133 -5.800 -2.770 -6.146 1.00 2.06 N ATOM 606 CZ ARG A 133 -6.162 -3.006 -7.402 1.00 2.85 C ATOM 607 NH1 ARG A 133 -7.402 -2.875 -7.821 1.00 3.03 N ATOM 608 NH2 ARG A 133 -5.233 -3.371 -8.259 1.00 4.56 N ATOM 0 H ARG A 133 -6.604 0.643 -0.622 1.00 0.63 H new ATOM 0 HA ARG A 133 -4.322 -0.737 -1.892 1.00 0.58 H new ATOM 0 HB2 ARG A 133 -6.762 -1.567 -2.276 1.00 0.62 H new ATOM 0 HB3 ARG A 133 -6.996 -0.094 -3.196 1.00 0.62 H new ATOM 0 HG2 ARG A 133 -5.012 -0.712 -4.630 1.00 0.67 H new ATOM 0 HG3 ARG A 133 -4.866 -2.215 -3.740 1.00 0.67 H new ATOM 0 HD2 ARG A 133 -7.159 -2.884 -4.533 1.00 1.05 H new ATOM 0 HD3 ARG A 133 -7.254 -1.400 -5.461 1.00 1.05 H new ATOM 0 HE ARG A 133 -4.857 -3.071 -5.901 1.00 2.06 H new ATOM 0 HH11 ARG A 133 -8.131 -2.581 -7.171 1.00 3.03 H new ATOM 0 HH12 ARG A 133 -7.634 -3.067 -8.795 1.00 3.03 H new ATOM 0 HH21 ARG A 133 -4.265 -3.466 -7.952 1.00 4.56 H new ATOM 0 HH22 ARG A 133 -5.481 -3.559 -9.230 1.00 4.56 H new ATOM 622 N CYS A 134 -3.651 1.137 -3.385 1.00 0.47 N ATOM 623 CA CYS A 134 -3.247 2.121 -4.367 1.00 0.43 C ATOM 624 C CYS A 134 -4.285 2.299 -5.504 1.00 0.56 C ATOM 625 O CYS A 134 -5.121 1.431 -5.774 1.00 1.04 O ATOM 626 CB CYS A 134 -1.844 1.685 -4.809 1.00 0.41 C ATOM 627 SG CYS A 134 -0.929 2.789 -5.932 1.00 0.52 S ATOM 0 H CYS A 134 -2.992 0.363 -3.303 1.00 0.47 H new ATOM 0 HA CYS A 134 -3.206 3.131 -3.959 1.00 0.43 H new ATOM 0 HB2 CYS A 134 -1.240 1.542 -3.913 1.00 0.41 H new ATOM 0 HB3 CYS A 134 -1.932 0.712 -5.293 1.00 0.41 H new ATOM 632 N TRP A 135 -4.203 3.447 -6.176 1.00 0.57 N ATOM 633 CA TRP A 135 -4.935 3.749 -7.410 1.00 0.65 C ATOM 634 C TRP A 135 -4.023 3.752 -8.653 1.00 0.67 C ATOM 635 O TRP A 135 -4.536 3.831 -9.764 1.00 0.82 O ATOM 636 CB TRP A 135 -5.671 5.090 -7.229 1.00 0.72 C ATOM 637 CG TRP A 135 -4.817 6.319 -7.097 1.00 0.72 C ATOM 638 CD1 TRP A 135 -4.423 6.895 -5.938 1.00 0.76 C ATOM 639 CD2 TRP A 135 -4.214 7.118 -8.163 1.00 0.85 C ATOM 640 NE1 TRP A 135 -3.629 7.993 -6.213 1.00 0.88 N ATOM 641 CE2 TRP A 135 -3.433 8.154 -7.570 1.00 0.93 C ATOM 642 CE3 TRP A 135 -4.205 7.037 -9.573 1.00 0.98 C ATOM 643 CZ2 TRP A 135 -2.660 9.044 -8.335 1.00 1.12 C ATOM 644 CZ3 TRP A 135 -3.391 7.883 -10.346 1.00 1.14 C ATOM 645 CH2 TRP A 135 -2.627 8.895 -9.735 1.00 1.21 C ATOM 0 H TRP A 135 -3.608 4.217 -5.869 1.00 0.57 H new ATOM 0 HA TRP A 135 -5.663 2.958 -7.591 1.00 0.65 H new ATOM 0 HB2 TRP A 135 -6.338 5.229 -8.080 1.00 0.72 H new ATOM 0 HB3 TRP A 135 -6.299 5.016 -6.341 1.00 0.72 H new ATOM 0 HD1 TRP A 135 -4.688 6.550 -4.949 1.00 0.76 H new ATOM 0 HE1 TRP A 135 -3.236 8.608 -5.501 1.00 0.88 H new ATOM 0 HE3 TRP A 135 -4.835 6.312 -10.066 1.00 0.98 H new ATOM 0 HZ2 TRP A 135 -2.098 9.832 -7.855 1.00 1.12 H new ATOM 0 HZ3 TRP A 135 -3.351 7.755 -11.418 1.00 1.14 H new ATOM 0 HH2 TRP A 135 -2.019 9.554 -10.337 1.00 1.21 H new ATOM 656 N GLU A 136 -2.700 3.674 -8.449 1.00 0.60 N ATOM 657 CA GLU A 136 -1.660 3.718 -9.487 1.00 0.66 C ATOM 658 C GLU A 136 -1.187 2.273 -9.789 1.00 0.73 C ATOM 659 O GLU A 136 -1.831 1.535 -10.532 1.00 1.07 O ATOM 660 CB GLU A 136 -0.492 4.594 -8.983 1.00 0.62 C ATOM 661 CG GLU A 136 -0.594 6.094 -9.248 1.00 0.63 C ATOM 662 CD GLU A 136 0.132 6.432 -10.547 1.00 0.96 C ATOM 663 OE1 GLU A 136 -0.125 5.719 -11.533 1.00 1.62 O ATOM 664 OE2 GLU A 136 1.063 7.273 -10.520 1.00 1.48 O ATOM 0 H GLU A 136 -2.308 3.574 -7.513 1.00 0.60 H new ATOM 0 HA GLU A 136 -2.049 4.152 -10.408 1.00 0.66 H new ATOM 0 HB2 GLU A 136 -0.394 4.445 -7.908 1.00 0.62 H new ATOM 0 HB3 GLU A 136 0.428 4.230 -9.440 1.00 0.62 H new ATOM 0 HG2 GLU A 136 -1.640 6.392 -9.316 1.00 0.63 H new ATOM 0 HG3 GLU A 136 -0.157 6.651 -8.419 1.00 0.63 H new ATOM 671 N CYS A 137 -0.106 1.807 -9.135 1.00 0.57 N ATOM 672 CA CYS A 137 0.343 0.425 -9.191 1.00 0.64 C ATOM 673 C CYS A 137 -0.702 -0.563 -8.620 1.00 0.80 C ATOM 674 O CYS A 137 -0.580 -1.775 -8.823 1.00 1.28 O ATOM 675 CB CYS A 137 1.687 0.311 -8.462 1.00 0.58 C ATOM 676 SG CYS A 137 1.701 0.747 -6.697 1.00 0.60 S ATOM 0 H CYS A 137 0.481 2.399 -8.547 1.00 0.57 H new ATOM 0 HA CYS A 137 0.470 0.144 -10.236 1.00 0.64 H new ATOM 0 HB2 CYS A 137 2.042 -0.715 -8.561 1.00 0.58 H new ATOM 0 HB3 CYS A 137 2.407 0.948 -8.975 1.00 0.58 H new ATOM 681 N GLY A 138 -1.690 -0.071 -7.864 1.00 0.56 N ATOM 682 CA GLY A 138 -2.799 -0.852 -7.329 1.00 0.71 C ATOM 683 C GLY A 138 -2.334 -1.990 -6.432 1.00 0.69 C ATOM 684 O GLY A 138 -3.018 -3.007 -6.329 1.00 0.79 O ATOM 0 H GLY A 138 -1.736 0.914 -7.602 1.00 0.56 H new ATOM 0 HA2 GLY A 138 -3.461 -0.196 -6.764 1.00 0.71 H new ATOM 0 HA3 GLY A 138 -3.383 -1.260 -8.154 1.00 0.71 H new ATOM 688 N SER A 139 -1.180 -1.870 -5.787 1.00 0.61 N ATOM 689 CA SER A 139 -0.832 -2.748 -4.676 1.00 0.61 C ATOM 690 C SER A 139 -1.756 -2.453 -3.509 1.00 0.57 C ATOM 691 O SER A 139 -1.920 -1.292 -3.138 1.00 0.71 O ATOM 692 CB SER A 139 0.628 -2.582 -4.226 1.00 0.75 C ATOM 693 OG SER A 139 1.050 -1.267 -4.401 1.00 1.52 O ATOM 0 H SER A 139 -0.470 -1.174 -6.014 1.00 0.61 H new ATOM 0 HA SER A 139 -0.949 -3.777 -5.017 1.00 0.61 H new ATOM 0 HB2 SER A 139 0.725 -2.864 -3.178 1.00 0.75 H new ATOM 0 HB3 SER A 139 1.269 -3.254 -4.797 1.00 0.75 H new ATOM 0 HG SER A 139 1.380 -0.913 -3.549 1.00 1.52 H new ATOM 699 N VAL A 140 -2.315 -3.499 -2.909 1.00 0.52 N ATOM 700 CA VAL A 140 -2.836 -3.371 -1.552 1.00 0.50 C ATOM 701 C VAL A 140 -1.655 -3.390 -0.576 1.00 0.49 C ATOM 702 O VAL A 140 -0.619 -3.991 -0.852 1.00 0.60 O ATOM 703 CB VAL A 140 -3.898 -4.452 -1.235 1.00 0.54 C ATOM 704 CG1 VAL A 140 -4.542 -4.274 0.145 1.00 0.57 C ATOM 705 CG2 VAL A 140 -5.059 -4.488 -2.248 1.00 0.61 C ATOM 0 H VAL A 140 -2.418 -4.423 -3.328 1.00 0.52 H new ATOM 0 HA VAL A 140 -3.361 -2.422 -1.447 1.00 0.50 H new ATOM 0 HB VAL A 140 -3.327 -5.379 -1.280 1.00 0.54 H new ATOM 0 HG11 VAL A 140 -5.277 -5.062 0.308 1.00 0.57 H new ATOM 0 HG12 VAL A 140 -3.773 -4.330 0.915 1.00 0.57 H new ATOM 0 HG13 VAL A 140 -5.034 -3.303 0.194 1.00 0.57 H new ATOM 0 HG21 VAL A 140 -5.765 -5.268 -1.964 1.00 0.61 H new ATOM 0 HG22 VAL A 140 -5.567 -3.524 -2.254 1.00 0.61 H new ATOM 0 HG23 VAL A 140 -4.667 -4.698 -3.243 1.00 0.61 H new ATOM 715 N TYR A 141 -1.840 -2.713 0.553 1.00 0.46 N ATOM 716 CA TYR A 141 -0.940 -2.509 1.683 1.00 0.47 C ATOM 717 C TYR A 141 -1.676 -2.734 2.996 1.00 0.50 C ATOM 718 O TYR A 141 -2.858 -2.399 3.117 1.00 0.54 O ATOM 719 CB TYR A 141 -0.479 -1.051 1.704 1.00 0.47 C ATOM 720 CG TYR A 141 0.469 -0.735 0.591 1.00 0.49 C ATOM 721 CD1 TYR A 141 -0.011 -0.295 -0.654 1.00 1.54 C ATOM 722 CD2 TYR A 141 1.839 -0.945 0.801 1.00 1.78 C ATOM 723 CE1 TYR A 141 0.888 -0.056 -1.696 1.00 1.54 C ATOM 724 CE2 TYR A 141 2.742 -0.719 -0.243 1.00 1.82 C ATOM 725 CZ TYR A 141 2.274 -0.301 -1.506 1.00 0.57 C ATOM 726 OH TYR A 141 3.174 -0.186 -2.518 1.00 0.68 O ATOM 0 H TYR A 141 -2.728 -2.239 0.716 1.00 0.46 H new ATOM 0 HA TYR A 141 -0.107 -3.203 1.577 1.00 0.47 H new ATOM 0 HB2 TYR A 141 -1.348 -0.397 1.633 1.00 0.47 H new ATOM 0 HB3 TYR A 141 0.003 -0.839 2.659 1.00 0.47 H new ATOM 0 HD1 TYR A 141 -1.070 -0.142 -0.805 1.00 1.54 H new ATOM 0 HD2 TYR A 141 2.195 -1.280 1.764 1.00 1.78 H new ATOM 0 HE1 TYR A 141 0.530 0.315 -2.645 1.00 1.54 H new ATOM 0 HE2 TYR A 141 3.800 -0.865 -0.082 1.00 1.82 H new ATOM 0 HH TYR A 141 2.915 0.556 -3.104 1.00 0.68 H new ATOM 736 N LYS A 142 -0.966 -3.242 4.003 1.00 0.51 N ATOM 737 CA LYS A 142 -1.558 -3.548 5.296 1.00 0.43 C ATOM 738 C LYS A 142 -0.851 -2.868 6.461 1.00 0.54 C ATOM 739 O LYS A 142 0.375 -2.726 6.484 1.00 0.66 O ATOM 740 CB LYS A 142 -1.555 -5.065 5.493 1.00 0.47 C ATOM 741 CG LYS A 142 -2.766 -5.410 6.346 1.00 0.38 C ATOM 742 CD LYS A 142 -2.898 -6.897 6.582 1.00 0.85 C ATOM 743 CE LYS A 142 -4.262 -7.080 7.244 1.00 1.25 C ATOM 744 NZ LYS A 142 -4.793 -8.439 6.975 1.00 2.70 N ATOM 0 H LYS A 142 0.031 -3.451 3.942 1.00 0.51 H new ATOM 0 HA LYS A 142 -2.576 -3.158 5.290 1.00 0.43 H new ATOM 0 HB2 LYS A 142 -1.602 -5.578 4.532 1.00 0.47 H new ATOM 0 HB3 LYS A 142 -0.636 -5.388 5.982 1.00 0.47 H new ATOM 0 HG2 LYS A 142 -2.690 -4.898 7.305 1.00 0.38 H new ATOM 0 HG3 LYS A 142 -3.668 -5.041 5.858 1.00 0.38 H new ATOM 0 HD2 LYS A 142 -2.838 -7.451 5.645 1.00 0.85 H new ATOM 0 HD3 LYS A 142 -2.097 -7.266 7.223 1.00 0.85 H new ATOM 0 HE2 LYS A 142 -4.175 -6.924 8.319 1.00 1.25 H new ATOM 0 HE3 LYS A 142 -4.958 -6.330 6.868 1.00 1.25 H new ATOM 0 HZ1 LYS A 142 -5.811 -8.380 6.772 1.00 2.70 H new ATOM 0 HZ2 LYS A 142 -4.300 -8.848 6.156 1.00 2.70 H new ATOM 0 HZ3 LYS A 142 -4.640 -9.043 7.808 1.00 2.70 H new ATOM 758 N LEU A 143 -1.637 -2.498 7.469 1.00 0.59 N ATOM 759 CA LEU A 143 -1.100 -2.134 8.772 1.00 0.66 C ATOM 760 C LEU A 143 -1.058 -3.375 9.659 1.00 0.61 C ATOM 761 O LEU A 143 -1.798 -4.340 9.474 1.00 0.60 O ATOM 762 CB LEU A 143 -1.953 -1.021 9.384 1.00 0.75 C ATOM 763 CG LEU A 143 -1.217 -0.249 10.497 1.00 0.85 C ATOM 764 CD1 LEU A 143 -1.510 1.232 10.326 1.00 0.73 C ATOM 765 CD2 LEU A 143 -1.652 -0.661 11.904 1.00 1.14 C ATOM 0 H LEU A 143 -2.653 -2.443 7.405 1.00 0.59 H new ATOM 0 HA LEU A 143 -0.083 -1.754 8.675 1.00 0.66 H new ATOM 0 HB2 LEU A 143 -2.250 -0.324 8.600 1.00 0.75 H new ATOM 0 HB3 LEU A 143 -2.868 -1.452 9.791 1.00 0.75 H new ATOM 0 HG LEU A 143 -0.155 -0.476 10.402 1.00 0.85 H new ATOM 0 HD11 LEU A 143 -0.998 1.797 11.105 1.00 0.73 H new ATOM 0 HD12 LEU A 143 -1.159 1.562 9.348 1.00 0.73 H new ATOM 0 HD13 LEU A 143 -2.584 1.402 10.402 1.00 0.73 H new ATOM 0 HD21 LEU A 143 -1.097 -0.081 12.641 1.00 1.14 H new ATOM 0 HD22 LEU A 143 -2.719 -0.474 12.024 1.00 1.14 H new ATOM 0 HD23 LEU A 143 -1.451 -1.722 12.051 1.00 1.14 H new ATOM 777 N ASN A 144 -0.151 -3.337 10.618 1.00 0.73 N ATOM 778 CA ASN A 144 0.040 -4.396 11.612 1.00 0.81 C ATOM 779 C ASN A 144 -0.231 -3.929 13.067 1.00 0.90 C ATOM 780 O ASN A 144 0.015 -2.779 13.392 1.00 0.90 O ATOM 781 CB ASN A 144 1.460 -4.968 11.443 1.00 0.84 C ATOM 782 CG ASN A 144 2.577 -3.938 11.329 1.00 1.04 C ATOM 783 OD1 ASN A 144 2.420 -2.746 11.540 1.00 1.48 O ATOM 784 ND2 ASN A 144 3.759 -4.397 10.982 1.00 1.09 N ATOM 0 H ASN A 144 0.492 -2.554 10.736 1.00 0.73 H new ATOM 0 HA ASN A 144 -0.699 -5.177 11.433 1.00 0.81 H new ATOM 0 HB2 ASN A 144 1.674 -5.617 12.292 1.00 0.84 H new ATOM 0 HB3 ASN A 144 1.476 -5.595 10.551 1.00 0.84 H new ATOM 0 HD21 ASN A 144 4.547 -3.757 10.889 1.00 1.09 H new ATOM 0 HD22 ASN A 144 3.888 -5.393 10.806 1.00 1.09 H new ATOM 791 N PRO A 145 -0.639 -4.828 13.990 1.00 1.08 N ATOM 792 CA PRO A 145 -0.979 -4.533 15.399 1.00 1.24 C ATOM 793 C PRO A 145 0.206 -4.163 16.309 1.00 1.31 C ATOM 794 O PRO A 145 0.042 -3.931 17.503 1.00 1.67 O ATOM 795 CB PRO A 145 -1.539 -5.851 15.935 1.00 1.42 C ATOM 796 CG PRO A 145 -0.690 -6.857 15.169 1.00 1.38 C ATOM 797 CD PRO A 145 -0.747 -6.259 13.774 1.00 1.23 C ATOM 0 HA PRO A 145 -1.645 -3.670 15.410 1.00 1.24 H new ATOM 0 HB2 PRO A 145 -1.416 -5.944 17.014 1.00 1.42 H new ATOM 0 HB3 PRO A 145 -2.603 -5.964 15.725 1.00 1.42 H new ATOM 0 HG2 PRO A 145 0.328 -6.918 15.553 1.00 1.38 H new ATOM 0 HG3 PRO A 145 -1.106 -7.864 15.206 1.00 1.38 H new ATOM 0 HD2 PRO A 145 0.066 -6.629 13.150 1.00 1.23 H new ATOM 0 HD3 PRO A 145 -1.679 -6.516 13.269 1.00 1.23 H new ATOM 805 N VAL A 146 1.402 -4.239 15.750 1.00 1.13 N ATOM 806 CA VAL A 146 2.703 -3.953 16.350 1.00 1.20 C ATOM 807 C VAL A 146 2.700 -2.663 17.200 1.00 1.29 C ATOM 808 O VAL A 146 1.968 -1.717 16.932 1.00 1.78 O ATOM 809 CB VAL A 146 3.780 -3.948 15.248 1.00 1.33 C ATOM 810 CG1 VAL A 146 3.615 -2.749 14.331 1.00 1.16 C ATOM 811 CG2 VAL A 146 5.212 -4.018 15.764 1.00 2.12 C ATOM 0 H VAL A 146 1.500 -4.528 14.777 1.00 1.13 H new ATOM 0 HA VAL A 146 2.942 -4.745 17.060 1.00 1.20 H new ATOM 0 HB VAL A 146 3.616 -4.869 14.688 1.00 1.33 H new ATOM 0 HG11 VAL A 146 4.388 -2.770 13.562 1.00 1.16 H new ATOM 0 HG12 VAL A 146 2.633 -2.784 13.859 1.00 1.16 H new ATOM 0 HG13 VAL A 146 3.706 -1.831 14.912 1.00 1.16 H new ATOM 0 HG21 VAL A 146 5.903 -4.010 14.921 1.00 2.12 H new ATOM 0 HG22 VAL A 146 5.410 -3.159 16.405 1.00 2.12 H new ATOM 0 HG23 VAL A 146 5.348 -4.936 16.336 1.00 2.12 H new ATOM 821 N GLY A 147 3.533 -2.611 18.242 1.00 1.41 N ATOM 822 CA GLY A 147 3.591 -1.533 19.207 1.00 1.53 C ATOM 823 C GLY A 147 4.947 -1.515 19.892 1.00 1.66 C ATOM 824 O GLY A 147 5.655 -2.514 19.963 1.00 1.96 O ATOM 0 H GLY A 147 4.207 -3.351 18.436 1.00 1.41 H new ATOM 0 HA2 GLY A 147 3.414 -0.580 18.709 1.00 1.53 H new ATOM 0 HA3 GLY A 147 2.802 -1.656 19.949 1.00 1.53 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.531 2.910 -5.888 1.00 0.41 ZN