USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 390 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 28 MET CE :methyl -173:sc= -0.801 (180deg=-0.00943) USER MOD Set 1.2: A 45 CYS SG : rot 84:sc= -1.29 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= -1.95! USER MOD Set 2.2: A 7 MET CE :methyl 143:sc= 0 (180deg=-1.07) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.15 (180deg=1.13) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -78:sc= 0.00701 USER MOD Single : A 25 ASN : amide:sc= 0.00937 X(o=0.0094,f=-0.14) USER MOD Single : A 26 ASN : amide:sc= 0.357 K(o=0.36,f=-0.39) USER MOD Single : A 40 SER OG : rot -111:sc= 0.438 USER MOD Single : A 48 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.43) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.789 K(o=0.79,f=-1.1) USER MOD Single : A 62 TYR OH : rot 179:sc= -1.09! USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.260 -0.705 2.505 1.00 71.42 N ATOM 43 CA ILE A 3 8.025 -1.484 2.638 1.00 53.53 C ATOM 44 C ILE A 3 8.144 -2.850 1.938 1.00 61.04 C ATOM 45 O ILE A 3 8.772 -2.967 0.884 1.00 10.44 O ATOM 46 CB ILE A 3 6.823 -0.713 2.030 1.00 64.24 C ATOM 47 CG1 ILE A 3 6.677 0.667 2.694 1.00 0.45 C ATOM 48 CG2 ILE A 3 5.527 -1.519 2.159 1.00 64.43 C ATOM 49 CD1 ILE A 3 6.414 0.613 4.186 1.00 32.54 C ATOM 0 HA ILE A 3 7.860 -1.644 3.703 1.00 53.53 H new ATOM 0 HB ILE A 3 7.018 -0.566 0.968 1.00 64.24 H new ATOM 0 HG12 ILE A 3 7.587 1.241 2.517 1.00 0.45 H new ATOM 0 HG13 ILE A 3 5.861 1.206 2.212 1.00 0.45 H new ATOM 0 HG21 ILE A 3 4.702 -0.954 1.725 1.00 64.43 H new ATOM 0 HG22 ILE A 3 5.634 -2.467 1.632 1.00 64.43 H new ATOM 0 HG23 ILE A 3 5.321 -1.710 3.212 1.00 64.43 H new ATOM 0 HD11 ILE A 3 6.324 1.627 4.577 1.00 32.54 H new ATOM 0 HD12 ILE A 3 5.488 0.069 4.373 1.00 32.54 H new ATOM 0 HD13 ILE A 3 7.240 0.105 4.683 1.00 32.54 H new ATOM 61 N THR A 4 7.537 -3.880 2.523 1.00 32.12 N ATOM 62 CA THR A 4 7.535 -5.228 1.926 1.00 12.33 C ATOM 63 C THR A 4 6.108 -5.683 1.604 1.00 42.42 C ATOM 64 O THR A 4 5.137 -5.048 2.010 1.00 43.50 O ATOM 65 CB THR A 4 8.175 -6.275 2.870 1.00 1.03 C ATOM 66 OG1 THR A 4 7.318 -6.505 3.998 1.00 70.21 O ATOM 67 CG2 THR A 4 9.547 -5.819 3.357 1.00 42.32 C ATOM 0 H THR A 4 7.038 -3.814 3.410 1.00 32.12 H new ATOM 0 HA THR A 4 8.123 -5.161 1.011 1.00 12.33 H new ATOM 0 HB THR A 4 8.301 -7.200 2.308 1.00 1.03 H new ATOM 0 HG1 THR A 4 7.728 -7.170 4.590 1.00 70.21 H new ATOM 0 HG21 THR A 4 9.969 -6.576 4.018 1.00 42.32 H new ATOM 0 HG22 THR A 4 10.207 -5.675 2.502 1.00 42.32 H new ATOM 0 HG23 THR A 4 9.446 -4.879 3.900 1.00 42.32 H new ATOM 75 N LYS A 5 5.977 -6.794 0.880 1.00 2.53 N ATOM 76 CA LYS A 5 4.653 -7.344 0.551 1.00 11.14 C ATOM 77 C LYS A 5 4.080 -8.156 1.722 1.00 14.55 C ATOM 78 O LYS A 5 2.892 -8.491 1.739 1.00 71.34 O ATOM 79 CB LYS A 5 4.726 -8.197 -0.728 1.00 14.24 C ATOM 80 CG LYS A 5 5.705 -9.367 -0.658 1.00 51.51 C ATOM 81 CD LYS A 5 5.872 -10.047 -2.019 1.00 10.34 C ATOM 82 CE LYS A 5 6.475 -9.100 -3.057 1.00 43.33 C ATOM 83 NZ LYS A 5 6.679 -9.764 -4.374 1.00 13.41 N ATOM 0 H LYS A 5 6.762 -7.331 0.510 1.00 2.53 H new ATOM 0 HA LYS A 5 3.977 -6.509 0.368 1.00 11.14 H new ATOM 0 HB2 LYS A 5 3.731 -8.585 -0.947 1.00 14.24 H new ATOM 0 HB3 LYS A 5 5.008 -7.554 -1.562 1.00 14.24 H new ATOM 0 HG2 LYS A 5 6.674 -9.011 -0.308 1.00 51.51 H new ATOM 0 HG3 LYS A 5 5.351 -10.095 0.072 1.00 51.51 H new ATOM 0 HD2 LYS A 5 6.511 -10.923 -1.911 1.00 10.34 H new ATOM 0 HD3 LYS A 5 4.903 -10.401 -2.370 1.00 10.34 H new ATOM 0 HE2 LYS A 5 5.819 -8.238 -3.184 1.00 43.33 H new ATOM 0 HE3 LYS A 5 7.430 -8.723 -2.691 1.00 43.33 H new ATOM 0 HZ1 LYS A 5 7.167 -9.111 -5.020 1.00 13.41 H new ATOM 0 HZ2 LYS A 5 7.256 -10.620 -4.246 1.00 13.41 H new ATOM 0 HZ3 LYS A 5 5.757 -10.026 -4.777 1.00 13.41 H new ATOM 97 N ASP A 6 4.930 -8.438 2.709 1.00 53.24 N ATOM 98 CA ASP A 6 4.530 -9.178 3.904 1.00 31.42 C ATOM 99 C ASP A 6 3.818 -8.259 4.914 1.00 23.21 C ATOM 100 O ASP A 6 3.011 -8.713 5.731 1.00 20.12 O ATOM 101 CB ASP A 6 5.766 -9.818 4.547 1.00 53.44 C ATOM 102 CG ASP A 6 5.419 -10.689 5.738 1.00 20.33 C ATOM 103 OD1 ASP A 6 4.963 -11.831 5.526 1.00 60.34 O ATOM 104 OD2 ASP A 6 5.604 -10.241 6.890 1.00 4.44 O ATOM 0 H ASP A 6 5.912 -8.161 2.702 1.00 53.24 H new ATOM 0 HA ASP A 6 3.827 -9.958 3.611 1.00 31.42 H new ATOM 0 HB2 ASP A 6 6.288 -10.419 3.802 1.00 53.44 H new ATOM 0 HB3 ASP A 6 6.454 -9.034 4.863 1.00 53.44 H new ATOM 109 N MET A 7 4.122 -6.963 4.845 1.00 73.32 N ATOM 110 CA MET A 7 3.544 -5.972 5.760 1.00 24.30 C ATOM 111 C MET A 7 2.026 -5.827 5.575 1.00 73.55 C ATOM 112 O MET A 7 1.471 -6.201 4.541 1.00 32.00 O ATOM 113 CB MET A 7 4.222 -4.610 5.554 1.00 60.00 C ATOM 114 CG MET A 7 5.700 -4.599 5.910 1.00 45.30 C ATOM 115 SD MET A 7 6.499 -3.037 5.491 1.00 35.33 S ATOM 116 CE MET A 7 8.167 -3.347 6.068 1.00 20.33 C ATOM 0 H MET A 7 4.769 -6.571 4.161 1.00 73.32 H new ATOM 0 HA MET A 7 3.721 -6.326 6.776 1.00 24.30 H new ATOM 0 HB2 MET A 7 4.107 -4.311 4.512 1.00 60.00 H new ATOM 0 HB3 MET A 7 3.707 -3.863 6.158 1.00 60.00 H new ATOM 0 HG2 MET A 7 5.815 -4.787 6.977 1.00 45.30 H new ATOM 0 HG3 MET A 7 6.203 -5.412 5.387 1.00 45.30 H new ATOM 0 HE1 MET A 7 8.880 -2.885 5.385 1.00 20.33 H new ATOM 0 HE2 MET A 7 8.292 -2.923 7.064 1.00 20.33 H new ATOM 0 HE3 MET A 7 8.345 -4.422 6.106 1.00 20.33 H new ATOM 126 N ILE A 8 1.365 -5.269 6.585 1.00 21.43 N ATOM 127 CA ILE A 8 -0.081 -5.036 6.540 1.00 13.31 C ATOM 128 C ILE A 8 -0.394 -3.679 5.882 1.00 43.15 C ATOM 129 O ILE A 8 0.169 -2.655 6.265 1.00 64.25 O ATOM 130 CB ILE A 8 -0.692 -5.069 7.966 1.00 54.03 C ATOM 131 CG1 ILE A 8 -0.429 -6.428 8.642 1.00 13.32 C ATOM 132 CG2 ILE A 8 -2.190 -4.764 7.928 1.00 73.04 C ATOM 133 CD1 ILE A 8 -1.076 -7.606 7.943 1.00 50.22 C ATOM 0 H ILE A 8 1.809 -4.967 7.452 1.00 21.43 H new ATOM 0 HA ILE A 8 -0.525 -5.834 5.945 1.00 13.31 H new ATOM 0 HB ILE A 8 -0.205 -4.294 8.558 1.00 54.03 H new ATOM 0 HG12 ILE A 8 0.647 -6.595 8.690 1.00 13.32 H new ATOM 0 HG13 ILE A 8 -0.791 -6.386 9.669 1.00 13.32 H new ATOM 0 HG21 ILE A 8 -2.593 -4.794 8.940 1.00 73.04 H new ATOM 0 HG22 ILE A 8 -2.349 -3.773 7.503 1.00 73.04 H new ATOM 0 HG23 ILE A 8 -2.697 -5.508 7.314 1.00 73.04 H new ATOM 0 HD11 ILE A 8 -0.841 -8.523 8.483 1.00 50.22 H new ATOM 0 HD12 ILE A 8 -2.157 -7.466 7.918 1.00 50.22 H new ATOM 0 HD13 ILE A 8 -0.696 -7.678 6.924 1.00 50.22 H new ATOM 145 N ILE A 9 -1.300 -3.675 4.904 1.00 0.14 N ATOM 146 CA ILE A 9 -1.665 -2.448 4.176 1.00 52.44 C ATOM 147 C ILE A 9 -2.115 -1.318 5.126 1.00 1.24 C ATOM 148 O ILE A 9 -1.678 -0.172 4.999 1.00 13.01 O ATOM 149 CB ILE A 9 -2.779 -2.742 3.137 1.00 72.15 C ATOM 150 CG1 ILE A 9 -2.262 -3.736 2.081 1.00 62.12 C ATOM 151 CG2 ILE A 9 -3.278 -1.454 2.479 1.00 42.24 C ATOM 152 CD1 ILE A 9 -3.258 -4.063 0.989 1.00 22.23 C ATOM 0 H ILE A 9 -1.799 -4.508 4.593 1.00 0.14 H new ATOM 0 HA ILE A 9 -0.769 -2.106 3.658 1.00 52.44 H new ATOM 0 HB ILE A 9 -3.626 -3.191 3.656 1.00 72.15 H new ATOM 0 HG12 ILE A 9 -1.362 -3.326 1.624 1.00 62.12 H new ATOM 0 HG13 ILE A 9 -1.973 -4.660 2.581 1.00 62.12 H new ATOM 0 HG21 ILE A 9 -4.058 -1.693 1.756 1.00 42.24 H new ATOM 0 HG22 ILE A 9 -3.682 -0.789 3.242 1.00 42.24 H new ATOM 0 HG23 ILE A 9 -2.450 -0.961 1.970 1.00 42.24 H new ATOM 0 HD11 ILE A 9 -2.812 -4.769 0.289 1.00 22.23 H new ATOM 0 HD12 ILE A 9 -4.151 -4.505 1.431 1.00 22.23 H new ATOM 0 HD13 ILE A 9 -3.530 -3.150 0.459 1.00 22.23 H new ATOM 164 N ALA A 10 -2.975 -1.652 6.087 1.00 12.32 N ATOM 165 CA ALA A 10 -3.434 -0.680 7.088 1.00 45.11 C ATOM 166 C ALA A 10 -2.264 -0.180 7.950 1.00 2.05 C ATOM 167 O ALA A 10 -2.224 0.979 8.359 1.00 11.30 O ATOM 168 CB ALA A 10 -4.515 -1.295 7.969 1.00 11.34 C ATOM 0 H ALA A 10 -3.370 -2.586 6.197 1.00 12.32 H new ATOM 0 HA ALA A 10 -3.855 0.175 6.559 1.00 45.11 H new ATOM 0 HB1 ALA A 10 -4.845 -0.562 8.706 1.00 11.34 H new ATOM 0 HB2 ALA A 10 -5.361 -1.594 7.351 1.00 11.34 H new ATOM 0 HB3 ALA A 10 -4.113 -2.169 8.482 1.00 11.34 H new ATOM 174 N ASP A 11 -1.312 -1.072 8.212 1.00 41.42 N ATOM 175 CA ASP A 11 -0.111 -0.733 8.980 1.00 54.10 C ATOM 176 C ASP A 11 0.744 0.295 8.212 1.00 11.15 C ATOM 177 O ASP A 11 1.259 1.253 8.791 1.00 0.32 O ATOM 178 CB ASP A 11 0.690 -2.012 9.258 1.00 2.43 C ATOM 179 CG ASP A 11 1.848 -1.803 10.217 1.00 44.02 C ATOM 180 OD1 ASP A 11 2.935 -1.394 9.765 1.00 3.42 O ATOM 181 OD2 ASP A 11 1.682 -2.068 11.427 1.00 54.05 O ATOM 0 H ASP A 11 -1.348 -2.043 7.902 1.00 41.42 H new ATOM 0 HA ASP A 11 -0.401 -0.283 9.930 1.00 54.10 H new ATOM 0 HB2 ASP A 11 0.021 -2.769 9.668 1.00 2.43 H new ATOM 0 HB3 ASP A 11 1.074 -2.403 8.316 1.00 2.43 H new ATOM 186 N VAL A 12 0.871 0.094 6.898 1.00 62.44 N ATOM 187 CA VAL A 12 1.574 1.044 6.024 1.00 55.11 C ATOM 188 C VAL A 12 0.879 2.417 6.030 1.00 33.22 C ATOM 189 O VAL A 12 1.532 3.465 6.014 1.00 45.45 O ATOM 190 CB VAL A 12 1.663 0.508 4.570 1.00 23.32 C ATOM 191 CG1 VAL A 12 2.395 1.495 3.659 1.00 43.14 C ATOM 192 CG2 VAL A 12 2.342 -0.861 4.543 1.00 25.31 C ATOM 0 H VAL A 12 0.496 -0.720 6.412 1.00 62.44 H new ATOM 0 HA VAL A 12 2.585 1.159 6.416 1.00 55.11 H new ATOM 0 HB VAL A 12 0.647 0.397 4.190 1.00 23.32 H new ATOM 0 HG11 VAL A 12 2.441 1.091 2.648 1.00 43.14 H new ATOM 0 HG12 VAL A 12 1.860 2.444 3.647 1.00 43.14 H new ATOM 0 HG13 VAL A 12 3.407 1.654 4.033 1.00 43.14 H new ATOM 0 HG21 VAL A 12 2.395 -1.221 3.515 1.00 25.31 H new ATOM 0 HG22 VAL A 12 3.349 -0.776 4.950 1.00 25.31 H new ATOM 0 HG23 VAL A 12 1.766 -1.565 5.144 1.00 25.31 H new ATOM 202 N LEU A 13 -0.455 2.403 6.068 1.00 64.33 N ATOM 203 CA LEU A 13 -1.244 3.639 6.169 1.00 2.23 C ATOM 204 C LEU A 13 -0.937 4.397 7.468 1.00 73.31 C ATOM 205 O LEU A 13 -1.048 5.624 7.523 1.00 61.23 O ATOM 206 CB LEU A 13 -2.747 3.333 6.103 1.00 11.11 C ATOM 207 CG LEU A 13 -3.235 2.680 4.802 1.00 4.22 C ATOM 208 CD1 LEU A 13 -4.734 2.412 4.866 1.00 1.31 C ATOM 209 CD2 LEU A 13 -2.897 3.555 3.598 1.00 70.53 C ATOM 0 H LEU A 13 -1.014 1.551 6.031 1.00 64.33 H new ATOM 0 HA LEU A 13 -0.965 4.268 5.324 1.00 2.23 H new ATOM 0 HB2 LEU A 13 -3.003 2.678 6.936 1.00 11.11 H new ATOM 0 HB3 LEU A 13 -3.296 4.263 6.249 1.00 11.11 H new ATOM 0 HG LEU A 13 -2.720 1.726 4.685 1.00 4.22 H new ATOM 0 HD11 LEU A 13 -5.061 1.949 3.935 1.00 1.31 H new ATOM 0 HD12 LEU A 13 -4.949 1.743 5.699 1.00 1.31 H new ATOM 0 HD13 LEU A 13 -5.266 3.352 5.010 1.00 1.31 H new ATOM 0 HD21 LEU A 13 -3.252 3.073 2.687 1.00 70.53 H new ATOM 0 HD22 LEU A 13 -3.380 4.526 3.707 1.00 70.53 H new ATOM 0 HD23 LEU A 13 -1.817 3.692 3.539 1.00 70.53 H new ATOM 221 N GLN A 14 -0.572 3.659 8.518 1.00 10.32 N ATOM 222 CA GLN A 14 -0.191 4.268 9.800 1.00 41.23 C ATOM 223 C GLN A 14 1.136 5.032 9.675 1.00 71.14 C ATOM 224 O GLN A 14 1.403 5.969 10.433 1.00 62.21 O ATOM 225 CB GLN A 14 -0.089 3.197 10.897 1.00 3.11 C ATOM 226 CG GLN A 14 -1.391 2.435 11.132 1.00 62.44 C ATOM 227 CD GLN A 14 -1.271 1.355 12.196 1.00 30.21 C ATOM 228 OE1 GLN A 14 -0.499 1.471 13.142 1.00 54.31 O ATOM 229 NE2 GLN A 14 -2.040 0.297 12.055 1.00 51.33 N ATOM 0 H GLN A 14 -0.531 2.640 8.509 1.00 10.32 H new ATOM 0 HA GLN A 14 -0.968 4.980 10.078 1.00 41.23 H new ATOM 0 HB2 GLN A 14 0.694 2.488 10.628 1.00 3.11 H new ATOM 0 HB3 GLN A 14 0.217 3.672 11.829 1.00 3.11 H new ATOM 0 HG2 GLN A 14 -2.169 3.140 11.426 1.00 62.44 H new ATOM 0 HG3 GLN A 14 -1.711 1.979 10.195 1.00 62.44 H new ATOM 0 HE21 GLN A 14 -2.672 0.229 11.258 1.00 51.33 H new ATOM 0 HE22 GLN A 14 -2.004 -0.455 12.743 1.00 51.33 H new ATOM 238 N MET A 15 1.965 4.629 8.711 1.00 73.42 N ATOM 239 CA MET A 15 3.220 5.330 8.424 1.00 12.42 C ATOM 240 C MET A 15 2.933 6.631 7.669 1.00 42.23 C ATOM 241 O MET A 15 3.352 7.714 8.081 1.00 62.20 O ATOM 242 CB MET A 15 4.155 4.444 7.589 1.00 63.02 C ATOM 243 CG MET A 15 4.236 3.008 8.081 1.00 54.22 C ATOM 244 SD MET A 15 5.452 2.029 7.176 1.00 43.22 S ATOM 245 CE MET A 15 5.241 0.423 7.948 1.00 11.41 C ATOM 0 H MET A 15 1.791 3.820 8.115 1.00 73.42 H new ATOM 0 HA MET A 15 3.709 5.562 9.370 1.00 12.42 H new ATOM 0 HB2 MET A 15 3.814 4.445 6.554 1.00 63.02 H new ATOM 0 HB3 MET A 15 5.155 4.878 7.596 1.00 63.02 H new ATOM 0 HG2 MET A 15 4.490 3.005 9.141 1.00 54.22 H new ATOM 0 HG3 MET A 15 3.256 2.540 7.987 1.00 54.22 H new ATOM 0 HE1 MET A 15 5.927 -0.292 7.494 1.00 11.41 H new ATOM 0 HE2 MET A 15 5.452 0.501 9.014 1.00 11.41 H new ATOM 0 HE3 MET A 15 4.215 0.083 7.805 1.00 11.41 H new ATOM 255 N ASP A 16 2.204 6.513 6.560 1.00 14.12 N ATOM 256 CA ASP A 16 1.819 7.680 5.761 1.00 52.24 C ATOM 257 C ASP A 16 0.527 7.406 4.963 1.00 61.34 C ATOM 258 O ASP A 16 0.454 6.445 4.193 1.00 74.35 O ATOM 259 CB ASP A 16 2.958 8.064 4.806 1.00 2.03 C ATOM 260 CG ASP A 16 2.793 9.466 4.247 1.00 75.44 C ATOM 261 OD1 ASP A 16 2.079 9.634 3.243 1.00 73.35 O ATOM 262 OD2 ASP A 16 3.370 10.409 4.820 1.00 74.14 O ATOM 0 H ASP A 16 1.867 5.623 6.193 1.00 14.12 H new ATOM 0 HA ASP A 16 1.627 8.509 6.442 1.00 52.24 H new ATOM 0 HB2 ASP A 16 3.910 7.995 5.333 1.00 2.03 H new ATOM 0 HB3 ASP A 16 2.996 7.350 3.984 1.00 2.03 H new ATOM 267 N ARG A 17 -0.485 8.259 5.144 1.00 72.22 N ATOM 268 CA ARG A 17 -1.768 8.117 4.428 1.00 52.13 C ATOM 269 C ARG A 17 -1.622 8.319 2.909 1.00 61.33 C ATOM 270 O ARG A 17 -2.497 7.916 2.135 1.00 50.23 O ATOM 271 CB ARG A 17 -2.803 9.112 4.974 1.00 14.14 C ATOM 272 CG ARG A 17 -3.251 8.838 6.407 1.00 25.42 C ATOM 273 CD ARG A 17 -3.855 7.444 6.562 1.00 1.23 C ATOM 274 NE ARG A 17 -4.697 7.342 7.752 1.00 74.31 N ATOM 275 CZ ARG A 17 -4.343 6.772 8.871 1.00 24.02 C ATOM 276 NH1 ARG A 17 -3.161 6.262 9.012 1.00 64.42 N ATOM 277 NH2 ARG A 17 -5.183 6.727 9.854 1.00 2.14 N ATOM 0 H ARG A 17 -0.447 9.057 5.779 1.00 72.22 H new ATOM 0 HA ARG A 17 -2.107 7.095 4.599 1.00 52.13 H new ATOM 0 HB2 ARG A 17 -2.384 10.117 4.924 1.00 14.14 H new ATOM 0 HB3 ARG A 17 -3.678 9.099 4.325 1.00 14.14 H new ATOM 0 HG2 ARG A 17 -2.399 8.940 7.079 1.00 25.42 H new ATOM 0 HG3 ARG A 17 -3.985 9.586 6.707 1.00 25.42 H new ATOM 0 HD2 ARG A 17 -4.446 7.205 5.678 1.00 1.23 H new ATOM 0 HD3 ARG A 17 -3.055 6.706 6.620 1.00 1.23 H new ATOM 0 HE ARG A 17 -5.632 7.747 7.704 1.00 74.31 H new ATOM 0 HH11 ARG A 17 -2.493 6.303 8.242 1.00 64.42 H new ATOM 0 HH12 ARG A 17 -2.898 5.820 9.893 1.00 64.42 H new ATOM 0 HH21 ARG A 17 -6.112 7.135 9.750 1.00 2.14 H new ATOM 0 HH22 ARG A 17 -4.916 6.284 10.733 1.00 2.14 H new ATOM 291 N GLY A 18 -0.523 8.938 2.485 1.00 42.03 N ATOM 292 CA GLY A 18 -0.283 9.168 1.062 1.00 40.23 C ATOM 293 C GLY A 18 -0.024 7.882 0.280 1.00 73.52 C ATOM 294 O GLY A 18 0.082 7.898 -0.949 1.00 13.34 O ATOM 0 H GLY A 18 0.211 9.287 3.101 1.00 42.03 H new ATOM 0 HA2 GLY A 18 -1.145 9.679 0.633 1.00 40.23 H new ATOM 0 HA3 GLY A 18 0.572 9.834 0.947 1.00 40.23 H new ATOM 298 N THR A 19 0.082 6.765 0.995 1.00 5.23 N ATOM 299 CA THR A 19 0.221 5.445 0.369 1.00 32.51 C ATOM 300 C THR A 19 -1.138 4.894 -0.088 1.00 5.13 C ATOM 301 O THR A 19 -1.206 4.057 -0.988 1.00 34.12 O ATOM 302 CB THR A 19 0.869 4.425 1.336 1.00 24.14 C ATOM 303 OG1 THR A 19 0.048 4.268 2.503 1.00 1.41 O ATOM 304 CG2 THR A 19 2.267 4.877 1.750 1.00 34.43 C ATOM 0 H THR A 19 0.075 6.744 2.015 1.00 5.23 H new ATOM 0 HA THR A 19 0.866 5.581 -0.499 1.00 32.51 H new ATOM 0 HB THR A 19 0.953 3.470 0.817 1.00 24.14 H new ATOM 0 HG1 THR A 19 0.186 5.029 3.105 1.00 1.41 H new ATOM 0 HG21 THR A 19 2.700 4.143 2.429 1.00 34.43 H new ATOM 0 HG22 THR A 19 2.897 4.969 0.865 1.00 34.43 H new ATOM 0 HG23 THR A 19 2.204 5.843 2.252 1.00 34.43 H new ATOM 312 N ALA A 20 -2.220 5.382 0.528 1.00 54.52 N ATOM 313 CA ALA A 20 -3.578 4.915 0.204 1.00 12.31 C ATOM 314 C ALA A 20 -3.910 5.055 -1.302 1.00 3.12 C ATOM 315 O ALA A 20 -4.334 4.082 -1.929 1.00 43.02 O ATOM 316 CB ALA A 20 -4.616 5.637 1.061 1.00 73.44 C ATOM 0 H ALA A 20 -2.185 6.099 1.253 1.00 54.52 H new ATOM 0 HA ALA A 20 -3.612 3.850 0.435 1.00 12.31 H new ATOM 0 HB1 ALA A 20 -5.613 5.277 0.806 1.00 73.44 H new ATOM 0 HB2 ALA A 20 -4.418 5.440 2.115 1.00 73.44 H new ATOM 0 HB3 ALA A 20 -4.559 6.710 0.875 1.00 73.44 H new ATOM 322 N PRO A 21 -3.717 6.251 -1.918 1.00 43.22 N ATOM 323 CA PRO A 21 -3.950 6.430 -3.365 1.00 11.21 C ATOM 324 C PRO A 21 -3.086 5.484 -4.218 1.00 32.51 C ATOM 325 O PRO A 21 -3.453 5.135 -5.336 1.00 41.11 O ATOM 326 CB PRO A 21 -3.573 7.902 -3.622 1.00 25.24 C ATOM 327 CG PRO A 21 -2.753 8.307 -2.441 1.00 72.13 C ATOM 328 CD PRO A 21 -3.280 7.509 -1.281 1.00 42.32 C ATOM 0 HA PRO A 21 -4.978 6.196 -3.641 1.00 11.21 H new ATOM 0 HB2 PRO A 21 -3.009 8.008 -4.548 1.00 25.24 H new ATOM 0 HB3 PRO A 21 -4.462 8.526 -3.717 1.00 25.24 H new ATOM 0 HG2 PRO A 21 -1.696 8.100 -2.610 1.00 72.13 H new ATOM 0 HG3 PRO A 21 -2.842 9.377 -2.252 1.00 72.13 H new ATOM 0 HD2 PRO A 21 -2.511 7.335 -0.528 1.00 42.32 H new ATOM 0 HD3 PRO A 21 -4.105 8.017 -0.782 1.00 42.32 H new ATOM 336 N ILE A 22 -1.940 5.065 -3.675 1.00 1.54 N ATOM 337 CA ILE A 22 -1.064 4.102 -4.354 1.00 53.24 C ATOM 338 C ILE A 22 -1.685 2.695 -4.329 1.00 51.02 C ATOM 339 O ILE A 22 -1.651 1.967 -5.325 1.00 72.15 O ATOM 340 CB ILE A 22 0.342 4.064 -3.702 1.00 24.04 C ATOM 341 CG1 ILE A 22 0.969 5.470 -3.708 1.00 35.41 C ATOM 342 CG2 ILE A 22 1.247 3.064 -4.422 1.00 55.35 C ATOM 343 CD1 ILE A 22 2.322 5.540 -3.033 1.00 23.23 C ATOM 0 H ILE A 22 -1.596 5.377 -2.767 1.00 1.54 H new ATOM 0 HA ILE A 22 -0.957 4.428 -5.389 1.00 53.24 H new ATOM 0 HB ILE A 22 0.235 3.736 -2.668 1.00 24.04 H new ATOM 0 HG12 ILE A 22 1.070 5.808 -4.739 1.00 35.41 H new ATOM 0 HG13 ILE A 22 0.290 6.162 -3.211 1.00 35.41 H new ATOM 0 HG21 ILE A 22 2.228 3.054 -3.948 1.00 55.35 H new ATOM 0 HG22 ILE A 22 0.807 2.069 -4.366 1.00 55.35 H new ATOM 0 HG23 ILE A 22 1.352 3.355 -5.467 1.00 55.35 H new ATOM 0 HD11 ILE A 22 2.699 6.562 -3.078 1.00 23.23 H new ATOM 0 HD12 ILE A 22 2.225 5.234 -1.991 1.00 23.23 H new ATOM 0 HD13 ILE A 22 3.018 4.874 -3.543 1.00 23.23 H new ATOM 355 N PHE A 23 -2.259 2.318 -3.187 1.00 22.31 N ATOM 356 CA PHE A 23 -3.014 1.063 -3.086 1.00 13.32 C ATOM 357 C PHE A 23 -4.223 1.085 -4.033 1.00 1.00 C ATOM 358 O PHE A 23 -4.438 0.152 -4.813 1.00 11.24 O ATOM 359 CB PHE A 23 -3.476 0.821 -1.639 1.00 73.24 C ATOM 360 CG PHE A 23 -2.348 0.520 -0.678 1.00 61.00 C ATOM 361 CD1 PHE A 23 -1.606 -0.646 -0.809 1.00 22.41 C ATOM 362 CD2 PHE A 23 -2.030 1.396 0.352 1.00 15.10 C ATOM 363 CE1 PHE A 23 -0.574 -0.930 0.066 1.00 75.12 C ATOM 364 CE2 PHE A 23 -0.998 1.113 1.230 1.00 33.20 C ATOM 365 CZ PHE A 23 -0.269 -0.050 1.084 1.00 42.12 C ATOM 0 H PHE A 23 -2.218 2.857 -2.322 1.00 22.31 H new ATOM 0 HA PHE A 23 -2.356 0.245 -3.379 1.00 13.32 H new ATOM 0 HB2 PHE A 23 -4.014 1.701 -1.288 1.00 73.24 H new ATOM 0 HB3 PHE A 23 -4.182 -0.010 -1.627 1.00 73.24 H new ATOM 0 HD1 PHE A 23 -1.838 -1.339 -1.604 1.00 22.41 H new ATOM 0 HD2 PHE A 23 -2.595 2.309 0.469 1.00 15.10 H new ATOM 0 HE1 PHE A 23 -0.006 -1.842 -0.047 1.00 75.12 H new ATOM 0 HE2 PHE A 23 -0.763 1.801 2.028 1.00 33.20 H new ATOM 0 HZ PHE A 23 0.539 -0.271 1.766 1.00 42.12 H new ATOM 375 N ILE A 24 -5.004 2.163 -3.965 1.00 1.12 N ATOM 376 CA ILE A 24 -6.158 2.347 -4.853 1.00 72.43 C ATOM 377 C ILE A 24 -5.726 2.345 -6.331 1.00 14.24 C ATOM 378 O ILE A 24 -6.422 1.805 -7.192 1.00 23.53 O ATOM 379 CB ILE A 24 -6.906 3.668 -4.529 1.00 33.32 C ATOM 380 CG1 ILE A 24 -7.362 3.675 -3.057 1.00 13.22 C ATOM 381 CG2 ILE A 24 -8.100 3.858 -5.466 1.00 11.14 C ATOM 382 CD1 ILE A 24 -8.046 4.959 -2.629 1.00 50.24 C ATOM 0 H ILE A 24 -4.860 2.926 -3.303 1.00 1.12 H new ATOM 0 HA ILE A 24 -6.835 1.509 -4.684 1.00 72.43 H new ATOM 0 HB ILE A 24 -6.220 4.501 -4.683 1.00 33.32 H new ATOM 0 HG12 ILE A 24 -8.044 2.841 -2.895 1.00 13.22 H new ATOM 0 HG13 ILE A 24 -6.495 3.507 -2.418 1.00 13.22 H new ATOM 0 HG21 ILE A 24 -8.610 4.790 -5.221 1.00 11.14 H new ATOM 0 HG22 ILE A 24 -7.750 3.896 -6.498 1.00 11.14 H new ATOM 0 HG23 ILE A 24 -8.792 3.024 -5.348 1.00 11.14 H new ATOM 0 HD11 ILE A 24 -8.337 4.885 -1.581 1.00 50.24 H new ATOM 0 HD12 ILE A 24 -7.360 5.797 -2.757 1.00 50.24 H new ATOM 0 HD13 ILE A 24 -8.934 5.120 -3.241 1.00 50.24 H new ATOM 394 N ASN A 25 -4.561 2.940 -6.608 1.00 15.00 N ATOM 395 CA ASN A 25 -3.973 2.950 -7.957 1.00 3.23 C ATOM 396 C ASN A 25 -3.885 1.533 -8.549 1.00 23.21 C ATOM 397 O ASN A 25 -4.251 1.304 -9.700 1.00 64.31 O ATOM 398 CB ASN A 25 -2.565 3.563 -7.903 1.00 41.22 C ATOM 399 CG ASN A 25 -1.844 3.503 -9.237 1.00 20.02 C ATOM 400 OD1 ASN A 25 -2.445 3.669 -10.292 1.00 21.01 O ATOM 401 ND2 ASN A 25 -0.554 3.236 -9.206 1.00 32.21 N ATOM 0 H ASN A 25 -3.999 3.427 -5.909 1.00 15.00 H new ATOM 0 HA ASN A 25 -4.621 3.548 -8.598 1.00 3.23 H new ATOM 0 HB2 ASN A 25 -2.638 4.602 -7.582 1.00 41.22 H new ATOM 0 HB3 ASN A 25 -1.974 3.038 -7.152 1.00 41.22 H new ATOM 0 HD21 ASN A 25 -0.027 3.162 -10.076 1.00 32.21 H new ATOM 0 HD22 ASN A 25 -0.082 3.103 -8.312 1.00 32.21 H new ATOM 408 N ASN A 26 -3.399 0.590 -7.747 1.00 34.44 N ATOM 409 CA ASN A 26 -3.204 -0.791 -8.201 1.00 13.50 C ATOM 410 C ASN A 26 -4.513 -1.611 -8.164 1.00 23.44 C ATOM 411 O ASN A 26 -4.520 -2.799 -8.496 1.00 51.41 O ATOM 412 CB ASN A 26 -2.104 -1.463 -7.368 1.00 55.31 C ATOM 413 CG ASN A 26 -0.722 -0.918 -7.701 1.00 32.14 C ATOM 414 OD1 ASN A 26 -0.030 -1.445 -8.561 1.00 72.43 O ATOM 415 ND2 ASN A 26 -0.314 0.150 -7.034 1.00 13.01 N ATOM 0 H ASN A 26 -3.131 0.754 -6.776 1.00 34.44 H new ATOM 0 HA ASN A 26 -2.890 -0.759 -9.244 1.00 13.50 H new ATOM 0 HB2 ASN A 26 -2.308 -1.311 -6.308 1.00 55.31 H new ATOM 0 HB3 ASN A 26 -2.122 -2.538 -7.545 1.00 55.31 H new ATOM 0 HD21 ASN A 26 0.601 0.556 -7.232 1.00 13.01 H new ATOM 0 HD22 ASN A 26 -0.914 0.567 -6.322 1.00 13.01 H new ATOM 422 N GLY A 27 -5.618 -0.972 -7.773 1.00 33.14 N ATOM 423 CA GLY A 27 -6.934 -1.613 -7.854 1.00 62.44 C ATOM 424 C GLY A 27 -7.569 -1.970 -6.508 1.00 62.13 C ATOM 425 O GLY A 27 -8.538 -2.731 -6.465 1.00 44.13 O ATOM 0 H GLY A 27 -5.630 -0.022 -7.401 1.00 33.14 H new ATOM 0 HA2 GLY A 27 -7.611 -0.950 -8.392 1.00 62.44 H new ATOM 0 HA3 GLY A 27 -6.841 -2.523 -8.447 1.00 62.44 H new ATOM 429 N MET A 28 -7.042 -1.437 -5.409 1.00 24.35 N ATOM 430 CA MET A 28 -7.640 -1.665 -4.083 1.00 65.22 C ATOM 431 C MET A 28 -8.948 -0.869 -3.890 1.00 2.04 C ATOM 432 O MET A 28 -9.235 0.081 -4.623 1.00 10.15 O ATOM 433 CB MET A 28 -6.641 -1.300 -2.980 1.00 62.43 C ATOM 434 CG MET A 28 -5.424 -2.211 -2.936 1.00 60.51 C ATOM 435 SD MET A 28 -5.852 -3.909 -2.505 1.00 42.32 S ATOM 436 CE MET A 28 -4.245 -4.695 -2.580 1.00 4.42 C ATOM 0 H MET A 28 -6.209 -0.848 -5.402 1.00 24.35 H new ATOM 0 HA MET A 28 -7.886 -2.725 -4.018 1.00 65.22 H new ATOM 0 HB2 MET A 28 -6.310 -0.272 -3.127 1.00 62.43 H new ATOM 0 HB3 MET A 28 -7.148 -1.337 -2.016 1.00 62.43 H new ATOM 0 HG2 MET A 28 -4.929 -2.199 -3.907 1.00 60.51 H new ATOM 0 HG3 MET A 28 -4.710 -1.824 -2.210 1.00 60.51 H new ATOM 0 HE1 MET A 28 -4.361 -5.772 -2.460 1.00 4.42 H new ATOM 0 HE2 MET A 28 -3.782 -4.485 -3.544 1.00 4.42 H new ATOM 0 HE3 MET A 28 -3.613 -4.307 -1.782 1.00 4.42 H new ATOM 572 N GLU A 39 -5.171 -6.513 5.927 1.00 65.44 N ATOM 573 CA GLU A 39 -4.438 -7.662 5.381 1.00 22.33 C ATOM 574 C GLU A 39 -3.089 -7.234 4.783 1.00 73.40 C ATOM 575 O GLU A 39 -2.869 -6.056 4.494 1.00 4.44 O ATOM 576 CB GLU A 39 -5.289 -8.366 4.317 1.00 62.40 C ATOM 577 CG GLU A 39 -6.707 -8.669 4.787 1.00 20.12 C ATOM 578 CD GLU A 39 -7.484 -9.551 3.824 1.00 21.14 C ATOM 579 OE1 GLU A 39 -7.751 -9.111 2.690 1.00 61.44 O ATOM 580 OE2 GLU A 39 -7.848 -10.683 4.207 1.00 62.40 O ATOM 0 HA GLU A 39 -4.236 -8.354 6.198 1.00 22.33 H new ATOM 0 HB2 GLU A 39 -5.334 -7.741 3.425 1.00 62.40 H new ATOM 0 HB3 GLU A 39 -4.802 -9.297 4.029 1.00 62.40 H new ATOM 0 HG2 GLU A 39 -6.663 -9.157 5.761 1.00 20.12 H new ATOM 0 HG3 GLU A 39 -7.245 -7.731 4.924 1.00 20.12 H new ATOM 587 N SER A 40 -2.186 -8.198 4.607 1.00 72.00 N ATOM 588 CA SER A 40 -0.865 -7.929 4.021 1.00 21.10 C ATOM 589 C SER A 40 -0.986 -7.560 2.538 1.00 32.00 C ATOM 590 O SER A 40 -1.932 -7.977 1.871 1.00 33.20 O ATOM 591 CB SER A 40 0.050 -9.153 4.182 1.00 15.41 C ATOM 592 OG SER A 40 0.198 -9.505 5.550 1.00 23.52 O ATOM 0 H SER A 40 -2.341 -9.174 4.861 1.00 72.00 H new ATOM 0 HA SER A 40 -0.428 -7.083 4.552 1.00 21.10 H new ATOM 0 HB2 SER A 40 -0.365 -9.996 3.629 1.00 15.41 H new ATOM 0 HB3 SER A 40 1.028 -8.939 3.751 1.00 15.41 H new ATOM 0 HG SER A 40 1.115 -9.315 5.839 1.00 23.52 H new ATOM 598 N ILE A 41 -0.031 -6.784 2.018 1.00 32.30 N ATOM 599 CA ILE A 41 -0.066 -6.366 0.610 1.00 31.14 C ATOM 600 C ILE A 41 -0.243 -7.567 -0.339 1.00 44.13 C ATOM 601 O ILE A 41 -1.133 -7.566 -1.193 1.00 53.33 O ATOM 602 CB ILE A 41 1.207 -5.566 0.199 1.00 34.32 C ATOM 603 CG1 ILE A 41 1.269 -4.200 0.911 1.00 4.34 C ATOM 604 CG2 ILE A 41 1.259 -5.372 -1.316 1.00 34.40 C ATOM 605 CD1 ILE A 41 1.811 -4.242 2.322 1.00 34.12 C ATOM 0 H ILE A 41 0.770 -6.434 2.544 1.00 32.30 H new ATOM 0 HA ILE A 41 -0.931 -5.710 0.516 1.00 31.14 H new ATOM 0 HB ILE A 41 2.074 -6.149 0.509 1.00 34.32 H new ATOM 0 HG12 ILE A 41 1.888 -3.526 0.319 1.00 4.34 H new ATOM 0 HG13 ILE A 41 0.266 -3.773 0.935 1.00 4.34 H new ATOM 0 HG21 ILE A 41 2.156 -4.811 -1.580 1.00 34.40 H new ATOM 0 HG22 ILE A 41 1.282 -6.345 -1.807 1.00 34.40 H new ATOM 0 HG23 ILE A 41 0.377 -4.821 -1.643 1.00 34.40 H new ATOM 0 HD11 ILE A 41 1.816 -3.235 2.740 1.00 34.12 H new ATOM 0 HD12 ILE A 41 1.180 -4.886 2.935 1.00 34.12 H new ATOM 0 HD13 ILE A 41 2.828 -4.635 2.310 1.00 34.12 H new ATOM 617 N GLU A 42 0.591 -8.594 -0.180 1.00 11.41 N ATOM 618 CA GLU A 42 0.516 -9.783 -1.041 1.00 74.43 C ATOM 619 C GLU A 42 -0.763 -10.600 -0.775 1.00 75.42 C ATOM 620 O GLU A 42 -1.334 -11.197 -1.689 1.00 13.41 O ATOM 621 CB GLU A 42 1.756 -10.667 -0.847 1.00 4.13 C ATOM 622 CG GLU A 42 1.859 -11.304 0.537 1.00 1.00 C ATOM 623 CD GLU A 42 3.096 -12.177 0.694 1.00 23.23 C ATOM 624 OE1 GLU A 42 3.208 -13.190 -0.029 1.00 5.14 O ATOM 625 OE2 GLU A 42 3.950 -11.862 1.550 1.00 72.32 O ATOM 0 H GLU A 42 1.322 -8.631 0.530 1.00 11.41 H new ATOM 0 HA GLU A 42 0.483 -9.436 -2.074 1.00 74.43 H new ATOM 0 HB2 GLU A 42 1.747 -11.457 -1.598 1.00 4.13 H new ATOM 0 HB3 GLU A 42 2.648 -10.067 -1.026 1.00 4.13 H new ATOM 0 HG2 GLU A 42 1.876 -10.519 1.293 1.00 1.00 H new ATOM 0 HG3 GLU A 42 0.969 -11.906 0.722 1.00 1.00 H new ATOM 632 N ASP A 43 -1.203 -10.614 0.482 1.00 70.11 N ATOM 633 CA ASP A 43 -2.410 -11.344 0.889 1.00 32.52 C ATOM 634 C ASP A 43 -3.673 -10.736 0.248 1.00 31.13 C ATOM 635 O ASP A 43 -4.511 -11.449 -0.309 1.00 12.24 O ATOM 636 CB ASP A 43 -2.509 -11.327 2.426 1.00 1.13 C ATOM 637 CG ASP A 43 -3.677 -12.130 2.976 1.00 62.24 C ATOM 638 OD1 ASP A 43 -4.117 -13.094 2.314 1.00 2.11 O ATOM 639 OD2 ASP A 43 -4.139 -11.822 4.095 1.00 21.32 O ATOM 0 H ASP A 43 -0.738 -10.123 1.246 1.00 70.11 H new ATOM 0 HA ASP A 43 -2.340 -12.375 0.541 1.00 32.52 H new ATOM 0 HB2 ASP A 43 -1.582 -11.719 2.845 1.00 1.13 H new ATOM 0 HB3 ASP A 43 -2.600 -10.294 2.763 1.00 1.13 H new ATOM 644 N ALA A 44 -3.786 -9.411 0.322 1.00 54.41 N ATOM 645 CA ALA A 44 -4.917 -8.679 -0.258 1.00 21.13 C ATOM 646 C ALA A 44 -4.876 -8.690 -1.797 1.00 63.44 C ATOM 647 O ALA A 44 -5.874 -8.993 -2.455 1.00 20.54 O ATOM 648 CB ALA A 44 -4.927 -7.245 0.264 1.00 75.02 C ATOM 0 H ALA A 44 -3.100 -8.814 0.784 1.00 54.41 H new ATOM 0 HA ALA A 44 -5.835 -9.182 0.046 1.00 21.13 H new ATOM 0 HB1 ALA A 44 -5.769 -6.706 -0.170 1.00 75.02 H new ATOM 0 HB2 ALA A 44 -5.022 -7.254 1.350 1.00 75.02 H new ATOM 0 HB3 ALA A 44 -3.997 -6.750 -0.015 1.00 75.02 H new ATOM 654 N CYS A 45 -3.714 -8.365 -2.370 1.00 2.53 N ATOM 655 CA CYS A 45 -3.543 -8.358 -3.833 1.00 41.13 C ATOM 656 C CYS A 45 -3.906 -9.715 -4.453 1.00 1.00 C ATOM 657 O CYS A 45 -4.562 -9.776 -5.494 1.00 72.22 O ATOM 658 CB CYS A 45 -2.101 -7.995 -4.204 1.00 31.25 C ATOM 659 SG CYS A 45 -1.643 -6.282 -3.836 1.00 23.34 S ATOM 0 H CYS A 45 -2.877 -8.103 -1.848 1.00 2.53 H new ATOM 0 HA CYS A 45 -4.222 -7.606 -4.234 1.00 41.13 H new ATOM 0 HB2 CYS A 45 -1.423 -8.662 -3.672 1.00 31.25 H new ATOM 0 HB3 CYS A 45 -1.956 -8.176 -5.269 1.00 31.25 H new ATOM 0 HG CYS A 45 -1.285 -6.187 -2.590 1.00 23.34 H new ATOM 665 N ALA A 46 -3.485 -10.800 -3.804 1.00 41.20 N ATOM 666 CA ALA A 46 -3.766 -12.156 -4.292 1.00 44.30 C ATOM 667 C ALA A 46 -5.274 -12.409 -4.477 1.00 21.14 C ATOM 668 O ALA A 46 -5.679 -13.133 -5.388 1.00 42.43 O ATOM 669 CB ALA A 46 -3.170 -13.190 -3.343 1.00 53.11 C ATOM 0 H ALA A 46 -2.947 -10.770 -2.938 1.00 41.20 H new ATOM 0 HA ALA A 46 -3.300 -12.251 -5.273 1.00 44.30 H new ATOM 0 HB1 ALA A 46 -3.385 -14.192 -3.715 1.00 53.11 H new ATOM 0 HB2 ALA A 46 -2.091 -13.049 -3.282 1.00 53.11 H new ATOM 0 HB3 ALA A 46 -3.608 -13.069 -2.352 1.00 53.11 H new ATOM 675 N VAL A 47 -6.096 -11.801 -3.619 1.00 34.44 N ATOM 676 CA VAL A 47 -7.556 -11.979 -3.671 1.00 22.14 C ATOM 677 C VAL A 47 -8.132 -11.611 -5.054 1.00 50.12 C ATOM 678 O VAL A 47 -8.874 -12.390 -5.657 1.00 4.53 O ATOM 679 CB VAL A 47 -8.266 -11.138 -2.578 1.00 34.34 C ATOM 680 CG1 VAL A 47 -9.781 -11.351 -2.618 1.00 13.55 C ATOM 681 CG2 VAL A 47 -7.707 -11.472 -1.195 1.00 14.11 C ATOM 0 H VAL A 47 -5.778 -11.178 -2.876 1.00 34.44 H new ATOM 0 HA VAL A 47 -7.745 -13.037 -3.487 1.00 22.14 H new ATOM 0 HB VAL A 47 -8.071 -10.085 -2.782 1.00 34.34 H new ATOM 0 HG11 VAL A 47 -10.254 -10.750 -1.841 1.00 13.55 H new ATOM 0 HG12 VAL A 47 -10.165 -11.051 -3.593 1.00 13.55 H new ATOM 0 HG13 VAL A 47 -10.005 -12.404 -2.448 1.00 13.55 H new ATOM 0 HG21 VAL A 47 -8.217 -10.872 -0.442 1.00 14.11 H new ATOM 0 HG22 VAL A 47 -7.865 -12.530 -0.985 1.00 14.11 H new ATOM 0 HG23 VAL A 47 -6.640 -11.253 -1.171 1.00 14.11 H new ATOM 691 N HIS A 48 -7.787 -10.424 -5.550 1.00 65.34 N ATOM 692 CA HIS A 48 -8.243 -9.977 -6.875 1.00 61.40 C ATOM 693 C HIS A 48 -7.286 -10.445 -7.985 1.00 41.13 C ATOM 694 O HIS A 48 -7.657 -10.498 -9.159 1.00 25.41 O ATOM 695 CB HIS A 48 -8.373 -8.445 -6.912 1.00 51.41 C ATOM 696 CG HIS A 48 -8.959 -7.922 -8.193 1.00 44.44 C ATOM 697 ND1 HIS A 48 -8.198 -7.608 -9.303 1.00 64.21 N ATOM 698 CD2 HIS A 48 -10.243 -7.663 -8.545 1.00 74.31 C ATOM 699 CE1 HIS A 48 -8.984 -7.179 -10.269 1.00 15.52 C ATOM 700 NE2 HIS A 48 -10.227 -7.202 -9.838 1.00 14.43 N ATOM 0 H HIS A 48 -7.195 -9.753 -5.060 1.00 65.34 H new ATOM 0 HA HIS A 48 -9.221 -10.425 -7.054 1.00 61.40 H new ATOM 0 HB2 HIS A 48 -8.996 -8.121 -6.078 1.00 51.41 H new ATOM 0 HB3 HIS A 48 -7.388 -8.001 -6.765 1.00 51.41 H new ATOM 0 HD2 HIS A 48 -11.116 -7.795 -7.923 1.00 74.31 H new ATOM 0 HE1 HIS A 48 -8.662 -6.862 -11.250 1.00 15.52 H new ATOM 0 HE2 HIS A 48 -11.046 -6.922 -10.377 1.00 14.43 H new ATOM 709 N GLY A 49 -6.056 -10.785 -7.605 1.00 40.01 N ATOM 710 CA GLY A 49 -5.041 -11.169 -8.583 1.00 74.31 C ATOM 711 C GLY A 49 -4.154 -9.998 -9.001 1.00 61.22 C ATOM 712 O GLY A 49 -3.615 -9.979 -10.108 1.00 31.21 O ATOM 0 H GLY A 49 -5.740 -10.803 -6.635 1.00 40.01 H new ATOM 0 HA2 GLY A 49 -4.419 -11.960 -8.164 1.00 74.31 H new ATOM 0 HA3 GLY A 49 -5.530 -11.582 -9.465 1.00 74.31 H new ATOM 716 N ILE A 50 -4.010 -9.019 -8.109 1.00 35.53 N ATOM 717 CA ILE A 50 -3.184 -7.833 -8.369 1.00 40.41 C ATOM 718 C ILE A 50 -1.687 -8.154 -8.231 1.00 70.31 C ATOM 719 O ILE A 50 -1.295 -9.004 -7.425 1.00 51.01 O ATOM 720 CB ILE A 50 -3.529 -6.679 -7.388 1.00 41.10 C ATOM 721 CG1 ILE A 50 -5.051 -6.458 -7.316 1.00 23.24 C ATOM 722 CG2 ILE A 50 -2.813 -5.389 -7.797 1.00 44.01 C ATOM 723 CD1 ILE A 50 -5.470 -5.357 -6.359 1.00 21.22 C ATOM 0 H ILE A 50 -4.457 -9.021 -7.192 1.00 35.53 H new ATOM 0 HA ILE A 50 -3.399 -7.522 -9.391 1.00 40.41 H new ATOM 0 HB ILE A 50 -3.181 -6.963 -6.395 1.00 41.10 H new ATOM 0 HG12 ILE A 50 -5.421 -6.219 -8.313 1.00 23.24 H new ATOM 0 HG13 ILE A 50 -5.529 -7.390 -7.014 1.00 23.24 H new ATOM 0 HG21 ILE A 50 -3.068 -4.594 -7.097 1.00 44.01 H new ATOM 0 HG22 ILE A 50 -1.735 -5.551 -7.784 1.00 44.01 H new ATOM 0 HG23 ILE A 50 -3.125 -5.102 -8.801 1.00 44.01 H new ATOM 0 HD11 ILE A 50 -6.556 -5.263 -6.365 1.00 21.22 H new ATOM 0 HD12 ILE A 50 -5.133 -5.602 -5.352 1.00 21.22 H new ATOM 0 HD13 ILE A 50 -5.023 -4.413 -6.672 1.00 21.22 H new ATOM 735 N ASP A 51 -0.853 -7.472 -9.009 1.00 53.23 N ATOM 736 CA ASP A 51 0.597 -7.629 -8.901 1.00 2.44 C ATOM 737 C ASP A 51 1.131 -6.833 -7.700 1.00 25.41 C ATOM 738 O ASP A 51 1.399 -5.632 -7.797 1.00 54.02 O ATOM 739 CB ASP A 51 1.287 -7.177 -10.192 1.00 62.03 C ATOM 740 CG ASP A 51 2.739 -7.620 -10.253 1.00 70.24 C ATOM 741 OD1 ASP A 51 3.611 -6.911 -9.717 1.00 40.04 O ATOM 742 OD2 ASP A 51 3.017 -8.692 -10.838 1.00 54.33 O ATOM 0 H ASP A 51 -1.153 -6.806 -9.721 1.00 53.23 H new ATOM 0 HA ASP A 51 0.819 -8.685 -8.746 1.00 2.44 H new ATOM 0 HB2 ASP A 51 0.749 -7.581 -11.050 1.00 62.03 H new ATOM 0 HB3 ASP A 51 1.237 -6.091 -10.267 1.00 62.03 H new ATOM 747 N ALA A 52 1.254 -7.505 -6.559 1.00 64.32 N ATOM 748 CA ALA A 52 1.731 -6.865 -5.330 1.00 23.32 C ATOM 749 C ALA A 52 3.190 -6.414 -5.444 1.00 3.51 C ATOM 750 O ALA A 52 3.621 -5.503 -4.739 1.00 50.01 O ATOM 751 CB ALA A 52 1.564 -7.814 -4.149 1.00 32.45 C ATOM 0 H ALA A 52 1.030 -8.495 -6.457 1.00 64.32 H new ATOM 0 HA ALA A 52 1.127 -5.972 -5.169 1.00 23.32 H new ATOM 0 HB1 ALA A 52 1.921 -7.330 -3.240 1.00 32.45 H new ATOM 0 HB2 ALA A 52 0.511 -8.070 -4.034 1.00 32.45 H new ATOM 0 HB3 ALA A 52 2.141 -8.722 -4.327 1.00 32.45 H new ATOM 757 N ASP A 53 3.941 -7.050 -6.335 1.00 70.03 N ATOM 758 CA ASP A 53 5.355 -6.730 -6.525 1.00 43.33 C ATOM 759 C ASP A 53 5.532 -5.274 -7.000 1.00 15.22 C ATOM 760 O ASP A 53 6.369 -4.536 -6.475 1.00 12.51 O ATOM 761 CB ASP A 53 5.962 -7.715 -7.529 1.00 62.50 C ATOM 762 CG ASP A 53 7.475 -7.792 -7.434 1.00 34.23 C ATOM 763 OD1 ASP A 53 7.977 -8.418 -6.475 1.00 64.21 O ATOM 764 OD2 ASP A 53 8.163 -7.263 -8.329 1.00 10.32 O ATOM 0 H ASP A 53 3.595 -7.794 -6.941 1.00 70.03 H new ATOM 0 HA ASP A 53 5.876 -6.824 -5.572 1.00 43.33 H new ATOM 0 HB2 ASP A 53 5.541 -8.706 -7.359 1.00 62.50 H new ATOM 0 HB3 ASP A 53 5.680 -7.417 -8.539 1.00 62.50 H new ATOM 769 N LYS A 54 4.724 -4.865 -7.979 1.00 53.01 N ATOM 770 CA LYS A 54 4.728 -3.478 -8.461 1.00 25.03 C ATOM 771 C LYS A 54 4.213 -2.516 -7.382 1.00 11.43 C ATOM 772 O LYS A 54 4.811 -1.468 -7.131 1.00 13.24 O ATOM 773 CB LYS A 54 3.864 -3.336 -9.724 1.00 54.34 C ATOM 774 CG LYS A 54 4.436 -4.026 -10.958 1.00 4.51 C ATOM 775 CD LYS A 54 3.539 -3.818 -12.179 1.00 23.51 C ATOM 776 CE LYS A 54 4.119 -4.464 -13.436 1.00 51.22 C ATOM 777 NZ LYS A 54 3.283 -4.199 -14.637 1.00 4.15 N ATOM 0 H LYS A 54 4.057 -5.472 -8.455 1.00 53.01 H new ATOM 0 HA LYS A 54 5.759 -3.220 -8.701 1.00 25.03 H new ATOM 0 HB2 LYS A 54 2.874 -3.744 -9.520 1.00 54.34 H new ATOM 0 HB3 LYS A 54 3.733 -2.276 -9.943 1.00 54.34 H new ATOM 0 HG2 LYS A 54 5.432 -3.636 -11.166 1.00 4.51 H new ATOM 0 HG3 LYS A 54 4.546 -5.093 -10.762 1.00 4.51 H new ATOM 0 HD2 LYS A 54 2.553 -4.237 -11.979 1.00 23.51 H new ATOM 0 HD3 LYS A 54 3.403 -2.750 -12.351 1.00 23.51 H new ATOM 0 HE2 LYS A 54 5.127 -4.085 -13.606 1.00 51.22 H new ATOM 0 HE3 LYS A 54 4.204 -5.540 -13.284 1.00 51.22 H new ATOM 0 HZ1 LYS A 54 3.713 -4.655 -15.467 1.00 4.15 H new ATOM 0 HZ2 LYS A 54 2.328 -4.583 -14.487 1.00 4.15 H new ATOM 0 HZ3 LYS A 54 3.223 -3.173 -14.798 1.00 4.15 H new ATOM 791 N LEU A 55 3.096 -2.887 -6.752 1.00 65.33 N ATOM 792 CA LEU A 55 2.488 -2.079 -5.687 1.00 35.35 C ATOM 793 C LEU A 55 3.502 -1.744 -4.581 1.00 1.04 C ATOM 794 O LEU A 55 3.670 -0.582 -4.209 1.00 72.21 O ATOM 795 CB LEU A 55 1.276 -2.823 -5.099 1.00 61.45 C ATOM 796 CG LEU A 55 0.672 -2.221 -3.819 1.00 14.14 C ATOM 797 CD1 LEU A 55 0.297 -0.755 -4.023 1.00 42.22 C ATOM 798 CD2 LEU A 55 -0.544 -3.029 -3.373 1.00 63.35 C ATOM 0 H LEU A 55 2.590 -3.747 -6.961 1.00 65.33 H new ATOM 0 HA LEU A 55 2.157 -1.136 -6.122 1.00 35.35 H new ATOM 0 HB2 LEU A 55 0.497 -2.865 -5.860 1.00 61.45 H new ATOM 0 HB3 LEU A 55 1.572 -3.851 -4.889 1.00 61.45 H new ATOM 0 HG LEU A 55 1.428 -2.267 -3.035 1.00 14.14 H new ATOM 0 HD11 LEU A 55 -0.127 -0.356 -3.102 1.00 42.22 H new ATOM 0 HD12 LEU A 55 1.187 -0.185 -4.289 1.00 42.22 H new ATOM 0 HD13 LEU A 55 -0.437 -0.675 -4.825 1.00 42.22 H new ATOM 0 HD21 LEU A 55 -0.960 -2.590 -2.466 1.00 63.35 H new ATOM 0 HD22 LEU A 55 -1.298 -3.017 -4.160 1.00 63.35 H new ATOM 0 HD23 LEU A 55 -0.244 -4.058 -3.174 1.00 63.35 H new ATOM 810 N VAL A 56 4.174 -2.768 -4.065 1.00 35.24 N ATOM 811 CA VAL A 56 5.190 -2.580 -3.025 1.00 12.11 C ATOM 812 C VAL A 56 6.297 -1.623 -3.486 1.00 71.33 C ATOM 813 O VAL A 56 6.698 -0.724 -2.744 1.00 34.14 O ATOM 814 CB VAL A 56 5.811 -3.931 -2.597 1.00 33.12 C ATOM 815 CG1 VAL A 56 6.962 -3.726 -1.613 1.00 1.02 C ATOM 816 CG2 VAL A 56 4.742 -4.831 -1.991 1.00 63.40 C ATOM 0 H VAL A 56 4.036 -3.738 -4.347 1.00 35.24 H new ATOM 0 HA VAL A 56 4.686 -2.137 -2.166 1.00 12.11 H new ATOM 0 HB VAL A 56 6.217 -4.414 -3.485 1.00 33.12 H new ATOM 0 HG11 VAL A 56 7.377 -4.694 -1.332 1.00 1.02 H new ATOM 0 HG12 VAL A 56 7.738 -3.121 -2.082 1.00 1.02 H new ATOM 0 HG13 VAL A 56 6.593 -3.217 -0.723 1.00 1.02 H new ATOM 0 HG21 VAL A 56 5.190 -5.779 -1.693 1.00 63.40 H new ATOM 0 HG22 VAL A 56 4.309 -4.344 -1.117 1.00 63.40 H new ATOM 0 HG23 VAL A 56 3.960 -5.015 -2.728 1.00 63.40 H new ATOM 826 N LYS A 57 6.784 -1.809 -4.711 1.00 14.11 N ATOM 827 CA LYS A 57 7.816 -0.924 -5.268 1.00 35.13 C ATOM 828 C LYS A 57 7.350 0.541 -5.283 1.00 25.03 C ATOM 829 O LYS A 57 8.094 1.437 -4.888 1.00 74.13 O ATOM 830 CB LYS A 57 8.209 -1.375 -6.679 1.00 2.32 C ATOM 831 CG LYS A 57 8.906 -2.732 -6.712 1.00 1.51 C ATOM 832 CD LYS A 57 9.245 -3.173 -8.131 1.00 34.55 C ATOM 833 CE LYS A 57 9.940 -4.531 -8.143 1.00 55.02 C ATOM 834 NZ LYS A 57 10.249 -4.988 -9.521 1.00 4.21 N ATOM 0 H LYS A 57 6.486 -2.558 -5.336 1.00 14.11 H new ATOM 0 HA LYS A 57 8.692 -0.990 -4.623 1.00 35.13 H new ATOM 0 HB2 LYS A 57 7.314 -1.420 -7.300 1.00 2.32 H new ATOM 0 HB3 LYS A 57 8.867 -0.627 -7.121 1.00 2.32 H new ATOM 0 HG2 LYS A 57 9.820 -2.683 -6.121 1.00 1.51 H new ATOM 0 HG3 LYS A 57 8.264 -3.479 -6.245 1.00 1.51 H new ATOM 0 HD2 LYS A 57 8.332 -3.225 -8.725 1.00 34.55 H new ATOM 0 HD3 LYS A 57 9.889 -2.429 -8.600 1.00 34.55 H new ATOM 0 HE2 LYS A 57 10.863 -4.471 -7.566 1.00 55.02 H new ATOM 0 HE3 LYS A 57 9.304 -5.267 -7.651 1.00 55.02 H new ATOM 0 HZ1 LYS A 57 10.720 -5.914 -9.482 1.00 4.21 H new ATOM 0 HZ2 LYS A 57 9.367 -5.071 -10.065 1.00 4.21 H new ATOM 0 HZ3 LYS A 57 10.877 -4.299 -9.983 1.00 4.21 H new ATOM 848 N GLU A 58 6.110 0.775 -5.720 1.00 31.21 N ATOM 849 CA GLU A 58 5.525 2.123 -5.704 1.00 63.41 C ATOM 850 C GLU A 58 5.491 2.701 -4.276 1.00 51.33 C ATOM 851 O GLU A 58 5.776 3.882 -4.063 1.00 2.33 O ATOM 852 CB GLU A 58 4.109 2.105 -6.308 1.00 71.31 C ATOM 853 CG GLU A 58 4.078 1.802 -7.803 1.00 74.41 C ATOM 854 CD GLU A 58 2.817 2.320 -8.482 1.00 5.32 C ATOM 855 OE1 GLU A 58 1.742 1.715 -8.301 1.00 61.45 O ATOM 856 OE2 GLU A 58 2.900 3.347 -9.194 1.00 2.52 O ATOM 0 H GLU A 58 5.491 0.053 -6.089 1.00 31.21 H new ATOM 0 HA GLU A 58 6.158 2.768 -6.314 1.00 63.41 H new ATOM 0 HB2 GLU A 58 3.511 1.360 -5.784 1.00 71.31 H new ATOM 0 HB3 GLU A 58 3.638 3.072 -6.134 1.00 71.31 H new ATOM 0 HG2 GLU A 58 4.951 2.249 -8.278 1.00 74.41 H new ATOM 0 HG3 GLU A 58 4.150 0.725 -7.953 1.00 74.41 H new ATOM 863 N LEU A 59 5.147 1.858 -3.301 1.00 34.03 N ATOM 864 CA LEU A 59 5.167 2.257 -1.885 1.00 64.11 C ATOM 865 C LEU A 59 6.578 2.683 -1.442 1.00 5.51 C ATOM 866 O LEU A 59 6.761 3.752 -0.859 1.00 45.12 O ATOM 867 CB LEU A 59 4.672 1.100 -1.005 1.00 34.40 C ATOM 868 CG LEU A 59 3.241 0.624 -1.300 1.00 74.24 C ATOM 869 CD1 LEU A 59 2.918 -0.637 -0.507 1.00 53.11 C ATOM 870 CD2 LEU A 59 2.228 1.730 -1.007 1.00 61.44 C ATOM 0 H LEU A 59 4.851 0.895 -3.461 1.00 34.03 H new ATOM 0 HA LEU A 59 4.502 3.113 -1.769 1.00 64.11 H new ATOM 0 HB2 LEU A 59 5.351 0.256 -1.125 1.00 34.40 H new ATOM 0 HB3 LEU A 59 4.728 1.408 0.039 1.00 34.40 H new ATOM 0 HG LEU A 59 3.175 0.382 -2.361 1.00 74.24 H new ATOM 0 HD11 LEU A 59 1.900 -0.957 -0.731 1.00 53.11 H new ATOM 0 HD12 LEU A 59 3.616 -1.428 -0.782 1.00 53.11 H new ATOM 0 HD13 LEU A 59 3.007 -0.429 0.559 1.00 53.11 H new ATOM 0 HD21 LEU A 59 1.223 1.369 -1.223 1.00 61.44 H new ATOM 0 HD22 LEU A 59 2.293 2.014 0.043 1.00 61.44 H new ATOM 0 HD23 LEU A 59 2.445 2.597 -1.632 1.00 61.44 H new ATOM 882 N ASN A 60 7.572 1.837 -1.730 1.00 3.12 N ATOM 883 CA ASN A 60 8.972 2.137 -1.389 1.00 33.31 C ATOM 884 C ASN A 60 9.433 3.454 -2.024 1.00 54.23 C ATOM 885 O ASN A 60 9.894 4.355 -1.323 1.00 23.15 O ATOM 886 CB ASN A 60 9.901 0.998 -1.825 1.00 23.33 C ATOM 887 CG ASN A 60 9.782 -0.218 -0.930 1.00 73.40 C ATOM 888 OD1 ASN A 60 10.465 -0.328 0.076 1.00 62.02 O ATOM 889 ND2 ASN A 60 8.919 -1.141 -1.283 1.00 12.41 N ATOM 0 H ASN A 60 7.437 0.940 -2.197 1.00 3.12 H new ATOM 0 HA ASN A 60 9.024 2.239 -0.305 1.00 33.31 H new ATOM 0 HB2 ASN A 60 9.667 0.715 -2.851 1.00 23.33 H new ATOM 0 HB3 ASN A 60 10.932 1.351 -1.819 1.00 23.33 H new ATOM 0 HD21 ASN A 60 8.805 -1.978 -0.711 1.00 12.41 H new ATOM 0 HD22 ASN A 60 8.362 -1.022 -2.129 1.00 12.41 H new ATOM 896 N GLU A 61 9.295 3.562 -3.347 1.00 0.41 N ATOM 897 CA GLU A 61 9.664 4.785 -4.067 1.00 54.02 C ATOM 898 C GLU A 61 9.039 6.023 -3.407 1.00 52.42 C ATOM 899 O GLU A 61 9.693 7.052 -3.249 1.00 73.04 O ATOM 900 CB GLU A 61 9.224 4.695 -5.536 1.00 22.22 C ATOM 901 CG GLU A 61 9.937 3.602 -6.329 1.00 60.34 C ATOM 902 CD GLU A 61 9.471 3.518 -7.777 1.00 72.03 C ATOM 903 OE1 GLU A 61 10.033 4.233 -8.634 1.00 34.12 O ATOM 904 OE2 GLU A 61 8.538 2.739 -8.069 1.00 74.01 O ATOM 0 H GLU A 61 8.931 2.818 -3.942 1.00 0.41 H new ATOM 0 HA GLU A 61 10.749 4.884 -4.026 1.00 54.02 H new ATOM 0 HB2 GLU A 61 8.150 4.515 -5.573 1.00 22.22 H new ATOM 0 HB3 GLU A 61 9.403 5.656 -6.018 1.00 22.22 H new ATOM 0 HG2 GLU A 61 11.011 3.788 -6.309 1.00 60.34 H new ATOM 0 HG3 GLU A 61 9.771 2.641 -5.843 1.00 60.34 H new ATOM 911 N TYR A 62 7.777 5.898 -3.001 1.00 21.11 N ATOM 912 CA TYR A 62 7.056 6.987 -2.330 1.00 63.32 C ATOM 913 C TYR A 62 7.760 7.437 -1.038 1.00 22.25 C ATOM 914 O TYR A 62 8.032 8.625 -0.853 1.00 33.13 O ATOM 915 CB TYR A 62 5.625 6.546 -2.016 1.00 32.22 C ATOM 916 CG TYR A 62 4.792 7.615 -1.336 1.00 62.21 C ATOM 917 CD1 TYR A 62 4.302 8.696 -2.058 1.00 44.45 C ATOM 918 CD2 TYR A 62 4.499 7.547 0.025 1.00 51.12 C ATOM 919 CE1 TYR A 62 3.545 9.674 -1.452 1.00 63.14 C ATOM 920 CE2 TYR A 62 3.740 8.525 0.639 1.00 53.32 C ATOM 921 CZ TYR A 62 3.266 9.586 -0.104 1.00 65.14 C ATOM 922 OH TYR A 62 2.510 10.563 0.502 1.00 14.15 O ATOM 0 H TYR A 62 7.226 5.048 -3.125 1.00 21.11 H new ATOM 0 HA TYR A 62 7.041 7.839 -3.009 1.00 63.32 H new ATOM 0 HB2 TYR A 62 5.134 6.250 -2.943 1.00 32.22 H new ATOM 0 HB3 TYR A 62 5.658 5.663 -1.377 1.00 32.22 H new ATOM 0 HD1 TYR A 62 4.519 8.771 -3.113 1.00 44.45 H new ATOM 0 HD2 TYR A 62 4.871 6.718 0.608 1.00 51.12 H new ATOM 0 HE1 TYR A 62 3.171 10.506 -2.030 1.00 63.14 H new ATOM 0 HE2 TYR A 62 3.519 8.459 1.694 1.00 53.32 H new ATOM 0 HH TYR A 62 2.391 10.344 1.450 1.00 14.15 H new ATOM 932 N PHE A 63 8.043 6.491 -0.143 1.00 75.20 N ATOM 933 CA PHE A 63 8.744 6.810 1.107 1.00 41.25 C ATOM 934 C PHE A 63 10.135 7.396 0.827 1.00 64.51 C ATOM 935 O PHE A 63 10.569 8.330 1.502 1.00 33.41 O ATOM 936 CB PHE A 63 8.848 5.574 2.015 1.00 51.33 C ATOM 937 CG PHE A 63 7.552 5.226 2.706 1.00 35.33 C ATOM 938 CD1 PHE A 63 7.186 5.868 3.880 1.00 24.25 C ATOM 939 CD2 PHE A 63 6.700 4.267 2.182 1.00 43.32 C ATOM 940 CE1 PHE A 63 5.998 5.557 4.517 1.00 40.11 C ATOM 941 CE2 PHE A 63 5.511 3.953 2.815 1.00 53.45 C ATOM 942 CZ PHE A 63 5.160 4.600 3.982 1.00 14.23 C ATOM 0 H PHE A 63 7.802 5.506 -0.255 1.00 75.20 H new ATOM 0 HA PHE A 63 8.158 7.565 1.630 1.00 41.25 H new ATOM 0 HB2 PHE A 63 9.174 4.721 1.419 1.00 51.33 H new ATOM 0 HB3 PHE A 63 9.617 5.749 2.768 1.00 51.33 H new ATOM 0 HD1 PHE A 63 7.836 6.620 4.302 1.00 24.25 H new ATOM 0 HD2 PHE A 63 6.968 3.758 1.268 1.00 43.32 H new ATOM 0 HE1 PHE A 63 5.727 6.063 5.432 1.00 40.11 H new ATOM 0 HE2 PHE A 63 4.858 3.202 2.396 1.00 53.45 H new ATOM 0 HZ PHE A 63 4.231 4.358 4.476 1.00 14.23 H new