USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 44 THR OG1 : rot 62:sc= 1.08 USER MOD Set 1.2: A 46 ASN : amide:sc= -0.198 K(o=0.89,f=-0.51) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.966 (180deg=0.604!) USER MOD Single : A 9 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.46) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.33 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.2) USER MOD Single : A 16 GLN :FLIP amide:sc=-0.00486 F(o=-2.8,f=-0.0049) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -12:sc= 0.899 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.112 (180deg=-0.714) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00439 USER MOD Single : A 27 SER OG : rot 76:sc= 0.419 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 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 59 HIS :FLIP no HE2:sc= -1.29 F(o=-2.8!,f=-1.3) USER MOD Single : A 60 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.031) USER MOD Single : A 61 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-9.4!) USER MOD Single : A 62 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.012) USER MOD Single : A 63 HIS : no HE2:sc= -6.04! C(o=-6!,f=-8!) USER MOD Single : A 64 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.730 5.576 -9.390 1.00 1.00 N ATOM 2 CA MET A 1 64.086 5.806 -10.820 1.00 1.00 C ATOM 3 C MET A 1 62.882 5.481 -11.698 1.00 1.00 C ATOM 4 O MET A 1 61.814 5.129 -11.199 1.00 1.00 O ATOM 5 CB MET A 1 65.267 4.910 -11.199 1.00 1.00 C ATOM 6 CG MET A 1 65.254 3.652 -10.330 1.00 1.00 C ATOM 7 SD MET A 1 63.612 2.894 -10.388 1.00 1.00 S ATOM 8 CE MET A 1 64.017 1.400 -9.450 1.00 1.00 C ATOM 0 H1 MET A 1 64.572 5.715 -8.796 1.00 1.00 H new ATOM 0 H2 MET A 1 62.990 6.248 -9.104 1.00 1.00 H new ATOM 0 H3 MET A 1 63.379 4.604 -9.272 1.00 1.00 H new ATOM 0 HA MET A 1 64.366 6.849 -10.968 1.00 1.00 H new ATOM 0 HB2 MET A 1 65.207 4.637 -12.253 1.00 1.00 H new ATOM 0 HB3 MET A 1 66.204 5.449 -11.063 1.00 1.00 H new ATOM 0 HG2 MET A 1 66.005 2.945 -10.684 1.00 1.00 H new ATOM 0 HG3 MET A 1 65.513 3.905 -9.302 1.00 1.00 H new ATOM 0 HE1 MET A 1 63.129 0.774 -9.362 1.00 1.00 H new ATOM 0 HE2 MET A 1 64.802 0.847 -9.967 1.00 1.00 H new ATOM 0 HE3 MET A 1 64.364 1.678 -8.455 1.00 1.00 H new ATOM 20 N GLU A 2 63.064 5.601 -13.009 1.00 1.00 N ATOM 21 CA GLU A 2 61.985 5.317 -13.948 1.00 1.00 C ATOM 22 C GLU A 2 62.143 3.921 -14.541 1.00 1.00 C ATOM 23 O GLU A 2 61.316 3.039 -14.306 1.00 1.00 O ATOM 24 CB GLU A 2 61.986 6.354 -15.075 1.00 1.00 C ATOM 25 CG GLU A 2 60.902 6.001 -16.094 1.00 1.00 C ATOM 26 CD GLU A 2 60.372 7.271 -16.752 1.00 1.00 C ATOM 27 OE1 GLU A 2 59.602 7.967 -16.113 1.00 1.00 O ATOM 28 OE2 GLU A 2 60.745 7.527 -17.884 1.00 1.00 O ATOM 0 H GLU A 2 63.941 5.890 -13.443 1.00 1.00 H new ATOM 0 HA GLU A 2 61.039 5.366 -13.409 1.00 1.00 H new ATOM 0 HB2 GLU A 2 61.807 7.349 -14.668 1.00 1.00 H new ATOM 0 HB3 GLU A 2 62.962 6.379 -15.560 1.00 1.00 H new ATOM 0 HG2 GLU A 2 61.308 5.331 -16.852 1.00 1.00 H new ATOM 0 HG3 GLU A 2 60.088 5.469 -15.602 1.00 1.00 H new ATOM 35 N GLU A 3 63.211 3.726 -15.308 1.00 1.00 N ATOM 36 CA GLU A 3 63.468 2.431 -15.928 1.00 1.00 C ATOM 37 C GLU A 3 64.860 2.402 -16.550 1.00 1.00 C ATOM 38 O GLU A 3 65.204 3.257 -17.366 1.00 1.00 O ATOM 39 CB GLU A 3 62.419 2.152 -17.006 1.00 1.00 C ATOM 40 CG GLU A 3 62.048 0.668 -16.986 1.00 1.00 C ATOM 41 CD GLU A 3 61.312 0.297 -18.268 1.00 1.00 C ATOM 42 OE1 GLU A 3 60.182 0.729 -18.427 1.00 1.00 O ATOM 43 OE2 GLU A 3 61.889 -0.415 -19.074 1.00 1.00 O ATOM 0 H GLU A 3 63.908 4.442 -15.514 1.00 1.00 H new ATOM 0 HA GLU A 3 63.411 1.662 -15.158 1.00 1.00 H new ATOM 0 HB2 GLU A 3 61.532 2.762 -16.832 1.00 1.00 H new ATOM 0 HB3 GLU A 3 62.808 2.427 -17.986 1.00 1.00 H new ATOM 0 HG2 GLU A 3 62.948 0.061 -16.885 1.00 1.00 H new ATOM 0 HG3 GLU A 3 61.420 0.453 -16.121 1.00 1.00 H new ATOM 50 N GLY A 4 65.657 1.413 -16.158 1.00 1.00 N ATOM 51 CA GLY A 4 67.011 1.282 -16.685 1.00 1.00 C ATOM 52 C GLY A 4 67.926 0.607 -15.669 1.00 1.00 C ATOM 53 O GLY A 4 68.154 -0.601 -15.731 1.00 1.00 O ATOM 0 H GLY A 4 65.392 0.696 -15.483 1.00 1.00 H new ATOM 0 HA2 GLY A 4 66.992 0.700 -17.607 1.00 1.00 H new ATOM 0 HA3 GLY A 4 67.404 2.267 -16.937 1.00 1.00 H new ATOM 57 N GLY A 5 68.448 1.395 -14.736 1.00 1.00 N ATOM 58 CA GLY A 5 69.339 0.862 -13.711 1.00 1.00 C ATOM 59 C GLY A 5 70.355 -0.099 -14.319 1.00 1.00 C ATOM 60 O GLY A 5 70.495 -1.236 -13.868 1.00 1.00 O ATOM 0 H GLY A 5 68.272 2.397 -14.667 1.00 1.00 H new ATOM 0 HA2 GLY A 5 69.859 1.681 -13.214 1.00 1.00 H new ATOM 0 HA3 GLY A 5 68.755 0.346 -12.949 1.00 1.00 H new ATOM 64 N ASP A 6 71.062 0.365 -15.344 1.00 1.00 N ATOM 65 CA ASP A 6 72.063 -0.463 -16.007 1.00 1.00 C ATOM 66 C ASP A 6 73.186 -0.823 -15.039 1.00 1.00 C ATOM 67 O ASP A 6 73.968 -1.738 -15.293 1.00 1.00 O ATOM 68 CB ASP A 6 72.642 0.281 -17.211 1.00 1.00 C ATOM 69 CG ASP A 6 71.952 -0.180 -18.490 1.00 1.00 C ATOM 70 OD1 ASP A 6 71.900 -1.378 -18.713 1.00 1.00 O ATOM 71 OD2 ASP A 6 71.486 0.672 -19.228 1.00 1.00 O ATOM 0 H ASP A 6 70.962 1.303 -15.732 1.00 1.00 H new ATOM 0 HA ASP A 6 71.582 -1.381 -16.345 1.00 1.00 H new ATOM 0 HB2 ASP A 6 72.509 1.355 -17.083 1.00 1.00 H new ATOM 0 HB3 ASP A 6 73.714 0.098 -17.280 1.00 1.00 H new ATOM 76 N PHE A 7 73.260 -0.096 -13.929 1.00 1.00 N ATOM 77 CA PHE A 7 74.291 -0.346 -12.930 1.00 1.00 C ATOM 78 C PHE A 7 73.706 -0.265 -11.523 1.00 1.00 C ATOM 79 O PHE A 7 74.317 0.306 -10.619 1.00 1.00 O ATOM 80 CB PHE A 7 75.419 0.677 -13.076 1.00 1.00 C ATOM 81 CG PHE A 7 75.643 0.975 -14.538 1.00 1.00 C ATOM 82 CD1 PHE A 7 76.307 0.046 -15.349 1.00 1.00 C ATOM 83 CD2 PHE A 7 75.185 2.180 -15.086 1.00 1.00 C ATOM 84 CE1 PHE A 7 76.516 0.323 -16.706 1.00 1.00 C ATOM 85 CE2 PHE A 7 75.392 2.456 -16.442 1.00 1.00 C ATOM 86 CZ PHE A 7 76.057 1.528 -17.252 1.00 1.00 C ATOM 0 H PHE A 7 72.622 0.666 -13.700 1.00 1.00 H new ATOM 0 HA PHE A 7 74.688 -1.349 -13.088 1.00 1.00 H new ATOM 0 HB2 PHE A 7 75.165 1.593 -12.542 1.00 1.00 H new ATOM 0 HB3 PHE A 7 76.335 0.291 -12.628 1.00 1.00 H new ATOM 0 HD1 PHE A 7 76.658 -0.884 -14.928 1.00 1.00 H new ATOM 0 HD2 PHE A 7 74.672 2.896 -14.462 1.00 1.00 H new ATOM 0 HE1 PHE A 7 77.031 -0.392 -17.331 1.00 1.00 H new ATOM 0 HE2 PHE A 7 75.039 3.385 -16.864 1.00 1.00 H new ATOM 0 HZ PHE A 7 76.216 1.742 -18.299 1.00 1.00 H new ATOM 96 N ASP A 8 72.520 -0.837 -11.347 1.00 1.00 N ATOM 97 CA ASP A 8 71.862 -0.823 -10.046 1.00 1.00 C ATOM 98 C ASP A 8 71.135 -2.139 -9.799 1.00 1.00 C ATOM 99 O ASP A 8 69.985 -2.152 -9.358 1.00 1.00 O ATOM 100 CB ASP A 8 70.864 0.335 -9.979 1.00 1.00 C ATOM 101 CG ASP A 8 71.572 1.650 -10.288 1.00 1.00 C ATOM 102 OD1 ASP A 8 71.976 1.830 -11.425 1.00 1.00 O ATOM 103 OD2 ASP A 8 71.701 2.458 -9.383 1.00 1.00 O ATOM 0 H ASP A 8 71.998 -1.313 -12.083 1.00 1.00 H new ATOM 0 HA ASP A 8 72.622 -0.692 -9.276 1.00 1.00 H new ATOM 0 HB2 ASP A 8 70.056 0.171 -10.691 1.00 1.00 H new ATOM 0 HB3 ASP A 8 70.412 0.380 -8.988 1.00 1.00 H new ATOM 108 N ASN A 9 71.812 -3.247 -10.084 1.00 1.00 N ATOM 109 CA ASN A 9 71.221 -4.566 -9.889 1.00 1.00 C ATOM 110 C ASN A 9 72.306 -5.637 -9.866 1.00 1.00 C ATOM 111 O ASN A 9 72.920 -5.932 -10.891 1.00 1.00 O ATOM 112 CB ASN A 9 70.227 -4.865 -11.012 1.00 1.00 C ATOM 113 CG ASN A 9 68.812 -4.934 -10.451 1.00 1.00 C ATOM 114 OD1 ASN A 9 68.587 -5.545 -9.406 1.00 1.00 O ATOM 115 ND2 ASN A 9 67.839 -4.338 -11.084 1.00 1.00 N ATOM 0 H ASN A 9 72.765 -3.258 -10.449 1.00 1.00 H new ATOM 0 HA ASN A 9 70.698 -4.573 -8.933 1.00 1.00 H new ATOM 0 HB2 ASN A 9 70.286 -4.091 -11.777 1.00 1.00 H new ATOM 0 HB3 ASN A 9 70.483 -5.809 -11.493 1.00 1.00 H new ATOM 0 HD21 ASN A 9 66.890 -4.378 -10.713 1.00 1.00 H new ATOM 0 HD22 ASN A 9 68.028 -3.832 -11.950 1.00 1.00 H new ATOM 122 N TYR A 10 72.529 -6.220 -8.693 1.00 1.00 N ATOM 123 CA TYR A 10 73.534 -7.262 -8.544 1.00 1.00 C ATOM 124 C TYR A 10 74.943 -6.694 -8.701 1.00 1.00 C ATOM 125 O TYR A 10 75.862 -7.096 -7.988 1.00 1.00 O ATOM 126 CB TYR A 10 73.284 -8.340 -9.589 1.00 1.00 C ATOM 127 CG TYR A 10 73.491 -9.704 -8.973 1.00 1.00 C ATOM 128 CD1 TYR A 10 72.626 -10.154 -7.969 1.00 1.00 C ATOM 129 CD2 TYR A 10 74.546 -10.516 -9.405 1.00 1.00 C ATOM 130 CE1 TYR A 10 72.815 -11.418 -7.397 1.00 1.00 C ATOM 131 CE2 TYR A 10 74.736 -11.780 -8.832 1.00 1.00 C ATOM 132 CZ TYR A 10 73.871 -12.231 -7.828 1.00 1.00 C ATOM 133 OH TYR A 10 74.058 -13.477 -7.265 1.00 1.00 O ATOM 0 H TYR A 10 72.028 -5.988 -7.835 1.00 1.00 H new ATOM 0 HA TYR A 10 73.458 -7.688 -7.544 1.00 1.00 H new ATOM 0 HB2 TYR A 10 72.269 -8.256 -9.977 1.00 1.00 H new ATOM 0 HB3 TYR A 10 73.960 -8.205 -10.433 1.00 1.00 H new ATOM 0 HD1 TYR A 10 71.813 -9.526 -7.635 1.00 1.00 H new ATOM 0 HD2 TYR A 10 75.213 -10.168 -10.180 1.00 1.00 H new ATOM 0 HE1 TYR A 10 72.147 -11.766 -6.623 1.00 1.00 H new ATOM 0 HE2 TYR A 10 75.550 -12.407 -9.165 1.00 1.00 H new ATOM 0 HH TYR A 10 74.834 -13.910 -7.679 1.00 1.00 H new ATOM 143 N TYR A 11 75.105 -5.756 -9.632 1.00 1.00 N ATOM 144 CA TYR A 11 76.406 -5.138 -9.871 1.00 1.00 C ATOM 145 C TYR A 11 77.525 -6.173 -9.778 1.00 1.00 C ATOM 146 O TYR A 11 78.030 -6.462 -8.694 1.00 1.00 O ATOM 147 CB TYR A 11 76.649 -4.021 -8.853 1.00 1.00 C ATOM 148 CG TYR A 11 75.529 -4.011 -7.839 1.00 1.00 C ATOM 149 CD1 TYR A 11 74.276 -3.494 -8.186 1.00 1.00 C ATOM 150 CD2 TYR A 11 75.745 -4.520 -6.552 1.00 1.00 C ATOM 151 CE1 TYR A 11 73.237 -3.486 -7.247 1.00 1.00 C ATOM 152 CE2 TYR A 11 74.707 -4.511 -5.613 1.00 1.00 C ATOM 153 CZ TYR A 11 73.454 -3.994 -5.960 1.00 1.00 C ATOM 154 OH TYR A 11 72.430 -3.985 -5.033 1.00 1.00 O ATOM 0 H TYR A 11 74.355 -5.409 -10.230 1.00 1.00 H new ATOM 0 HA TYR A 11 76.406 -4.718 -10.877 1.00 1.00 H new ATOM 0 HB2 TYR A 11 77.605 -4.172 -8.353 1.00 1.00 H new ATOM 0 HB3 TYR A 11 76.703 -3.058 -9.360 1.00 1.00 H new ATOM 0 HD1 TYR A 11 74.110 -3.101 -9.178 1.00 1.00 H new ATOM 0 HD2 TYR A 11 76.712 -4.919 -6.284 1.00 1.00 H new ATOM 0 HE1 TYR A 11 72.269 -3.088 -7.515 1.00 1.00 H new ATOM 0 HE2 TYR A 11 74.873 -4.903 -4.621 1.00 1.00 H new ATOM 0 HH TYR A 11 72.747 -4.374 -4.191 1.00 1.00 H new ATOM 164 N GLY A 12 77.905 -6.730 -10.924 1.00 1.00 N ATOM 165 CA GLY A 12 78.964 -7.732 -10.960 1.00 1.00 C ATOM 166 C GLY A 12 78.512 -9.028 -10.297 1.00 1.00 C ATOM 167 O GLY A 12 78.409 -10.068 -10.948 1.00 1.00 O ATOM 0 H GLY A 12 77.499 -6.507 -11.833 1.00 1.00 H new ATOM 0 HA2 GLY A 12 79.249 -7.928 -11.994 1.00 1.00 H new ATOM 0 HA3 GLY A 12 79.849 -7.349 -10.452 1.00 1.00 H new ATOM 171 N ALA A 13 78.242 -8.958 -8.996 1.00 1.00 N ATOM 172 CA ALA A 13 77.802 -10.134 -8.254 1.00 1.00 C ATOM 173 C ALA A 13 77.011 -9.720 -7.017 1.00 1.00 C ATOM 174 O ALA A 13 75.785 -9.612 -7.060 1.00 1.00 O ATOM 175 CB ALA A 13 79.012 -10.970 -7.832 1.00 1.00 C ATOM 0 H ALA A 13 78.319 -8.107 -8.439 1.00 1.00 H new ATOM 0 HA ALA A 13 77.159 -10.730 -8.902 1.00 1.00 H new ATOM 0 HB1 ALA A 13 78.674 -11.846 -7.279 1.00 1.00 H new ATOM 0 HB2 ALA A 13 79.560 -11.290 -8.718 1.00 1.00 H new ATOM 0 HB3 ALA A 13 79.665 -10.370 -7.198 1.00 1.00 H new ATOM 181 N ASP A 14 77.720 -9.490 -5.918 1.00 1.00 N ATOM 182 CA ASP A 14 77.073 -9.089 -4.673 1.00 1.00 C ATOM 183 C ASP A 14 76.267 -10.245 -4.090 1.00 1.00 C ATOM 184 O ASP A 14 75.200 -10.041 -3.510 1.00 1.00 O ATOM 185 CB ASP A 14 76.148 -7.898 -4.928 1.00 1.00 C ATOM 186 CG ASP A 14 76.044 -7.040 -3.671 1.00 1.00 C ATOM 187 OD1 ASP A 14 76.891 -6.180 -3.493 1.00 1.00 O ATOM 188 OD2 ASP A 14 75.119 -7.255 -2.905 1.00 1.00 O ATOM 0 H ASP A 14 78.735 -9.573 -5.862 1.00 1.00 H new ATOM 0 HA ASP A 14 77.846 -8.804 -3.959 1.00 1.00 H new ATOM 0 HB2 ASP A 14 76.531 -7.301 -5.756 1.00 1.00 H new ATOM 0 HB3 ASP A 14 75.159 -8.251 -5.220 1.00 1.00 H new ATOM 193 N ASN A 15 76.785 -11.459 -4.246 1.00 1.00 N ATOM 194 CA ASN A 15 76.104 -12.641 -3.730 1.00 1.00 C ATOM 195 C ASN A 15 76.730 -13.086 -2.413 1.00 1.00 C ATOM 196 O ASN A 15 77.101 -14.250 -2.252 1.00 1.00 O ATOM 197 CB ASN A 15 76.189 -13.779 -4.749 1.00 1.00 C ATOM 198 CG ASN A 15 75.301 -14.939 -4.308 1.00 1.00 C ATOM 199 OD1 ASN A 15 74.196 -14.721 -3.811 1.00 1.00 O ATOM 200 ND2 ASN A 15 75.720 -16.165 -4.461 1.00 1.00 N ATOM 0 H ASN A 15 77.667 -11.650 -4.722 1.00 1.00 H new ATOM 0 HA ASN A 15 75.058 -12.389 -3.555 1.00 1.00 H new ATOM 0 HB2 ASN A 15 75.877 -13.424 -5.731 1.00 1.00 H new ATOM 0 HB3 ASN A 15 77.221 -14.116 -4.845 1.00 1.00 H new ATOM 0 HD21 ASN A 15 75.132 -16.945 -4.169 1.00 1.00 H new ATOM 0 HD22 ASN A 15 76.636 -16.343 -4.873 1.00 1.00 H new ATOM 207 N GLN A 16 76.843 -12.154 -1.472 1.00 1.00 N ATOM 208 CA GLN A 16 77.425 -12.463 -0.170 1.00 1.00 C ATOM 209 C GLN A 16 76.392 -13.129 0.734 1.00 1.00 C ATOM 210 O GLN A 16 76.744 -13.843 1.673 1.00 1.00 O ATOM 211 CB GLN A 16 77.935 -11.182 0.490 1.00 1.00 C ATOM 212 CG GLN A 16 76.787 -10.176 0.609 1.00 1.00 C ATOM 213 CD GLN A 16 77.170 -8.865 -0.069 1.00 1.00 C ATOM 214 OE1 GLN A 16 77.129 -8.778 -1.370 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 77.517 -7.895 0.604 1.00 1.00 N flip ATOM 0 H GLN A 16 76.542 -11.186 -1.585 1.00 1.00 H new ATOM 0 HA GLN A 16 78.258 -13.151 -0.318 1.00 1.00 H new ATOM 0 HB2 GLN A 16 78.340 -11.405 1.477 1.00 1.00 H new ATOM 0 HB3 GLN A 16 78.747 -10.755 -0.099 1.00 1.00 H new ATOM 0 HG2 GLN A 16 75.887 -10.583 0.149 1.00 1.00 H new ATOM 0 HG3 GLN A 16 76.556 -9.998 1.659 1.00 1.00 H new ATOM 0 HE21 GLN A 16 77.548 -7.965 1.621 1.00 1.00 H new ATOM 0 HE22 GLN A 16 77.773 -7.021 0.145 1.00 1.00 H new ATOM 224 N SER A 17 75.118 -12.890 0.444 1.00 1.00 N ATOM 225 CA SER A 17 74.042 -13.472 1.239 1.00 1.00 C ATOM 226 C SER A 17 72.687 -13.171 0.607 1.00 1.00 C ATOM 227 O SER A 17 71.670 -13.105 1.298 1.00 1.00 O ATOM 228 CB SER A 17 74.081 -12.911 2.661 1.00 1.00 C ATOM 229 OG SER A 17 74.317 -11.511 2.605 1.00 1.00 O ATOM 0 H SER A 17 74.806 -12.302 -0.329 1.00 1.00 H new ATOM 0 HA SER A 17 74.183 -14.552 1.272 1.00 1.00 H new ATOM 0 HB2 SER A 17 73.139 -13.113 3.170 1.00 1.00 H new ATOM 0 HB3 SER A 17 74.866 -13.401 3.237 1.00 1.00 H new ATOM 0 HG SER A 17 74.341 -11.147 3.514 1.00 1.00 H new ATOM 235 N GLU A 18 72.680 -12.990 -0.708 1.00 1.00 N ATOM 236 CA GLU A 18 71.443 -12.697 -1.424 1.00 1.00 C ATOM 237 C GLU A 18 70.775 -13.985 -1.891 1.00 1.00 C ATOM 238 O GLU A 18 71.125 -14.533 -2.936 1.00 1.00 O ATOM 239 CB GLU A 18 71.736 -11.804 -2.630 1.00 1.00 C ATOM 240 CG GLU A 18 70.435 -11.167 -3.124 1.00 1.00 C ATOM 241 CD GLU A 18 70.405 -11.156 -4.648 1.00 1.00 C ATOM 242 OE1 GLU A 18 70.301 -12.225 -5.226 1.00 1.00 O ATOM 243 OE2 GLU A 18 70.486 -10.079 -5.215 1.00 1.00 O ATOM 0 H GLU A 18 73.511 -13.040 -1.298 1.00 1.00 H new ATOM 0 HA GLU A 18 70.767 -12.178 -0.745 1.00 1.00 H new ATOM 0 HB2 GLU A 18 72.451 -11.029 -2.356 1.00 1.00 H new ATOM 0 HB3 GLU A 18 72.192 -12.391 -3.428 1.00 1.00 H new ATOM 0 HG2 GLU A 18 69.580 -11.722 -2.739 1.00 1.00 H new ATOM 0 HG3 GLU A 18 70.351 -10.149 -2.743 1.00 1.00 H new ATOM 250 N CYS A 19 69.812 -14.465 -1.111 1.00 1.00 N ATOM 251 CA CYS A 19 69.102 -15.691 -1.456 1.00 1.00 C ATOM 252 C CYS A 19 67.949 -15.934 -0.488 1.00 1.00 C ATOM 253 O CYS A 19 66.782 -15.920 -0.881 1.00 1.00 O ATOM 254 CB CYS A 19 70.064 -16.880 -1.415 1.00 1.00 C ATOM 255 SG CYS A 19 69.137 -18.415 -1.663 1.00 1.00 S ATOM 0 H CYS A 19 69.507 -14.027 -0.242 1.00 1.00 H new ATOM 0 HA CYS A 19 68.699 -15.584 -2.463 1.00 1.00 H new ATOM 0 HB2 CYS A 19 70.825 -16.773 -2.188 1.00 1.00 H new ATOM 0 HB3 CYS A 19 70.584 -16.908 -0.458 1.00 1.00 H new ATOM 0 HG CYS A 19 69.954 -19.426 -1.630 1.00 1.00 H new ATOM 261 N GLU A 20 68.283 -16.156 0.779 1.00 1.00 N ATOM 262 CA GLU A 20 67.266 -16.401 1.796 1.00 1.00 C ATOM 263 C GLU A 20 66.850 -15.095 2.464 1.00 1.00 C ATOM 264 O GLU A 20 66.278 -15.099 3.554 1.00 1.00 O ATOM 265 CB GLU A 20 67.805 -17.369 2.851 1.00 1.00 C ATOM 266 CG GLU A 20 67.800 -18.792 2.291 1.00 1.00 C ATOM 267 CD GLU A 20 68.578 -19.720 3.218 1.00 1.00 C ATOM 268 OE1 GLU A 20 68.094 -19.976 4.308 1.00 1.00 O ATOM 269 OE2 GLU A 20 69.645 -20.160 2.823 1.00 1.00 O ATOM 0 H GLU A 20 69.243 -16.171 1.125 1.00 1.00 H new ATOM 0 HA GLU A 20 66.394 -16.841 1.312 1.00 1.00 H new ATOM 0 HB2 GLU A 20 68.817 -17.084 3.138 1.00 1.00 H new ATOM 0 HB3 GLU A 20 67.193 -17.319 3.751 1.00 1.00 H new ATOM 0 HG2 GLU A 20 66.775 -19.146 2.185 1.00 1.00 H new ATOM 0 HG3 GLU A 20 68.245 -18.802 1.296 1.00 1.00 H new ATOM 276 N TYR A 21 67.141 -13.978 1.803 1.00 1.00 N ATOM 277 CA TYR A 21 66.793 -12.669 2.344 1.00 1.00 C ATOM 278 C TYR A 21 66.529 -11.677 1.216 1.00 1.00 C ATOM 279 O TYR A 21 67.025 -10.551 1.239 1.00 1.00 O ATOM 280 CB TYR A 21 67.928 -12.151 3.227 1.00 1.00 C ATOM 281 CG TYR A 21 67.369 -11.204 4.263 1.00 1.00 C ATOM 282 CD1 TYR A 21 66.794 -11.709 5.435 1.00 1.00 C ATOM 283 CD2 TYR A 21 67.426 -9.821 4.050 1.00 1.00 C ATOM 284 CE1 TYR A 21 66.275 -10.831 6.394 1.00 1.00 C ATOM 285 CE2 TYR A 21 66.907 -8.944 5.009 1.00 1.00 C ATOM 286 CZ TYR A 21 66.331 -9.449 6.182 1.00 1.00 C ATOM 287 OH TYR A 21 65.820 -8.584 7.128 1.00 1.00 O ATOM 0 H TYR A 21 67.613 -13.953 0.899 1.00 1.00 H new ATOM 0 HA TYR A 21 65.887 -12.772 2.941 1.00 1.00 H new ATOM 0 HB2 TYR A 21 68.432 -12.985 3.716 1.00 1.00 H new ATOM 0 HB3 TYR A 21 68.673 -11.641 2.617 1.00 1.00 H new ATOM 0 HD1 TYR A 21 66.751 -12.776 5.599 1.00 1.00 H new ATOM 0 HD2 TYR A 21 67.870 -9.431 3.146 1.00 1.00 H new ATOM 0 HE1 TYR A 21 65.831 -11.221 7.298 1.00 1.00 H new ATOM 0 HE2 TYR A 21 66.950 -7.877 4.845 1.00 1.00 H new ATOM 0 HH TYR A 21 65.940 -7.660 6.825 1.00 1.00 H new ATOM 297 N THR A 22 65.745 -12.103 0.231 1.00 1.00 N ATOM 298 CA THR A 22 65.422 -11.242 -0.902 1.00 1.00 C ATOM 299 C THR A 22 64.151 -11.719 -1.594 1.00 1.00 C ATOM 300 O THR A 22 63.354 -10.910 -2.071 1.00 1.00 O ATOM 301 CB THR A 22 66.580 -11.239 -1.902 1.00 1.00 C ATOM 302 OG1 THR A 22 67.725 -10.652 -1.298 1.00 1.00 O ATOM 303 CG2 THR A 22 66.185 -10.433 -3.141 1.00 1.00 C ATOM 0 H THR A 22 65.324 -13.031 0.193 1.00 1.00 H new ATOM 0 HA THR A 22 65.260 -10.230 -0.530 1.00 1.00 H new ATOM 0 HB THR A 22 66.809 -12.263 -2.196 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.465 -10.216 -0.460 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.011 -10.432 -3.853 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.308 -10.884 -3.604 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.955 -9.408 -2.850 1.00 1.00 H new ATOM 311 N ASP A 23 63.970 -13.034 -1.646 1.00 1.00 N ATOM 312 CA ASP A 23 62.792 -13.614 -2.285 1.00 1.00 C ATOM 313 C ASP A 23 61.849 -14.201 -1.239 1.00 1.00 C ATOM 314 O ASP A 23 61.088 -15.124 -1.526 1.00 1.00 O ATOM 315 CB ASP A 23 63.221 -14.708 -3.262 1.00 1.00 C ATOM 316 CG ASP A 23 62.108 -14.971 -4.272 1.00 1.00 C ATOM 317 OD1 ASP A 23 61.094 -15.522 -3.877 1.00 1.00 O ATOM 318 OD2 ASP A 23 62.287 -14.616 -5.425 1.00 1.00 O ATOM 0 H ASP A 23 64.620 -13.717 -1.256 1.00 1.00 H new ATOM 0 HA ASP A 23 62.267 -12.827 -2.826 1.00 1.00 H new ATOM 0 HB2 ASP A 23 64.131 -14.407 -3.781 1.00 1.00 H new ATOM 0 HB3 ASP A 23 63.453 -15.623 -2.717 1.00 1.00 H new ATOM 323 N TRP A 24 61.906 -13.657 -0.027 1.00 1.00 N ATOM 324 CA TRP A 24 61.053 -14.132 1.057 1.00 1.00 C ATOM 325 C TRP A 24 59.919 -13.146 1.317 1.00 1.00 C ATOM 326 O TRP A 24 59.106 -13.344 2.221 1.00 1.00 O ATOM 327 CB TRP A 24 61.880 -14.310 2.331 1.00 1.00 C ATOM 328 CG TRP A 24 62.180 -12.969 2.921 1.00 1.00 C ATOM 329 CD1 TRP A 24 63.136 -12.122 2.476 1.00 1.00 C ATOM 330 CD2 TRP A 24 61.542 -12.308 4.051 1.00 1.00 C ATOM 331 NE1 TRP A 24 63.126 -10.984 3.261 1.00 1.00 N ATOM 332 CE2 TRP A 24 62.161 -11.051 4.247 1.00 1.00 C ATOM 333 CE3 TRP A 24 60.498 -12.675 4.920 1.00 1.00 C ATOM 334 CZ2 TRP A 24 61.757 -10.187 5.265 1.00 1.00 C ATOM 335 CZ3 TRP A 24 60.088 -11.808 5.946 1.00 1.00 C ATOM 336 CH2 TRP A 24 60.717 -10.567 6.118 1.00 1.00 C ATOM 0 H TRP A 24 62.530 -12.892 0.228 1.00 1.00 H new ATOM 0 HA TRP A 24 60.625 -15.091 0.765 1.00 1.00 H new ATOM 0 HB2 TRP A 24 61.334 -14.922 3.049 1.00 1.00 H new ATOM 0 HB3 TRP A 24 62.808 -14.836 2.105 1.00 1.00 H new ATOM 0 HD1 TRP A 24 63.799 -12.305 1.643 1.00 1.00 H new ATOM 0 HE1 TRP A 24 63.754 -10.192 3.128 1.00 1.00 H new ATOM 0 HE3 TRP A 24 60.009 -13.630 4.797 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.244 -9.232 5.393 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 59.284 -12.099 6.606 1.00 1.00 H new ATOM 0 HH2 TRP A 24 60.398 -9.905 6.909 1.00 1.00 H new ATOM 347 N LYS A 25 59.870 -12.083 0.521 1.00 1.00 N ATOM 348 CA LYS A 25 58.831 -11.072 0.675 1.00 1.00 C ATOM 349 C LYS A 25 58.302 -10.635 -0.687 1.00 1.00 C ATOM 350 O LYS A 25 57.696 -9.571 -0.818 1.00 1.00 O ATOM 351 CB LYS A 25 59.382 -9.857 1.429 1.00 1.00 C ATOM 352 CG LYS A 25 60.845 -9.618 1.038 1.00 1.00 C ATOM 353 CD LYS A 25 60.948 -9.421 -0.476 1.00 1.00 C ATOM 354 CE LYS A 25 62.286 -8.760 -0.814 1.00 1.00 C ATOM 355 NZ LYS A 25 62.292 -7.361 -0.300 1.00 1.00 N ATOM 0 H LYS A 25 60.533 -11.900 -0.232 1.00 1.00 H new ATOM 0 HA LYS A 25 58.012 -11.508 1.247 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.786 -8.974 1.198 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.306 -10.020 2.504 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.231 -8.740 1.556 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.457 -10.465 1.347 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.866 -10.381 -0.985 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.124 -8.801 -0.830 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.106 -9.325 -0.370 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.443 -8.763 -1.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.908 -6.774 -0.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.325 -6.980 -0.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.648 -7.352 0.677 1.00 1.00 H new ATOM 369 N SER A 26 58.536 -11.464 -1.698 1.00 1.00 N ATOM 370 CA SER A 26 58.080 -11.155 -3.049 1.00 1.00 C ATOM 371 C SER A 26 57.768 -12.437 -3.814 1.00 1.00 C ATOM 372 O SER A 26 56.611 -12.847 -3.907 1.00 1.00 O ATOM 373 CB SER A 26 59.156 -10.364 -3.794 1.00 1.00 C ATOM 374 OG SER A 26 59.267 -9.069 -3.219 1.00 1.00 O ATOM 0 H SER A 26 59.035 -12.349 -1.610 1.00 1.00 H new ATOM 0 HA SER A 26 57.172 -10.556 -2.979 1.00 1.00 H new ATOM 0 HB2 SER A 26 60.112 -10.884 -3.736 1.00 1.00 H new ATOM 0 HB3 SER A 26 58.900 -10.285 -4.851 1.00 1.00 H new ATOM 0 HG SER A 26 59.957 -8.559 -3.692 1.00 1.00 H new ATOM 380 N SER A 27 58.804 -13.062 -4.368 1.00 1.00 N ATOM 381 CA SER A 27 58.619 -14.293 -5.129 1.00 1.00 C ATOM 382 C SER A 27 57.523 -14.106 -6.173 1.00 1.00 C ATOM 383 O SER A 27 57.049 -15.069 -6.775 1.00 1.00 O ATOM 384 CB SER A 27 58.244 -15.439 -4.190 1.00 1.00 C ATOM 385 OG SER A 27 58.681 -16.669 -4.752 1.00 1.00 O ATOM 0 H SER A 27 59.770 -12.740 -4.305 1.00 1.00 H new ATOM 0 HA SER A 27 59.554 -14.535 -5.633 1.00 1.00 H new ATOM 0 HB2 SER A 27 58.703 -15.289 -3.213 1.00 1.00 H new ATOM 0 HB3 SER A 27 57.165 -15.460 -4.035 1.00 1.00 H new ATOM 0 HG SER A 27 59.651 -16.754 -4.639 1.00 1.00 H new ATOM 391 N GLY A 28 57.124 -12.854 -6.370 1.00 1.00 N ATOM 392 CA GLY A 28 56.078 -12.527 -7.333 1.00 1.00 C ATOM 393 C GLY A 28 54.994 -11.681 -6.673 1.00 1.00 C ATOM 394 O GLY A 28 53.931 -11.456 -7.251 1.00 1.00 O ATOM 0 H GLY A 28 57.509 -12.049 -5.876 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.507 -11.986 -8.176 1.00 1.00 H new ATOM 0 HA3 GLY A 28 55.642 -13.443 -7.731 1.00 1.00 H new ATOM 398 N ALA A 29 55.273 -11.224 -5.455 1.00 1.00 N ATOM 399 CA ALA A 29 54.319 -10.413 -4.713 1.00 1.00 C ATOM 400 C ALA A 29 53.269 -11.306 -4.066 1.00 1.00 C ATOM 401 O ALA A 29 52.237 -10.831 -3.592 1.00 1.00 O ATOM 402 CB ALA A 29 53.644 -9.406 -5.643 1.00 1.00 C ATOM 0 H ALA A 29 56.149 -11.402 -4.965 1.00 1.00 H new ATOM 0 HA ALA A 29 54.853 -9.869 -3.934 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.933 -8.806 -5.075 1.00 1.00 H new ATOM 0 HB2 ALA A 29 54.399 -8.754 -6.083 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.118 -9.938 -6.435 1.00 1.00 H new ATOM 408 N LEU A 30 53.548 -12.605 -4.049 1.00 1.00 N ATOM 409 CA LEU A 30 52.630 -13.566 -3.457 1.00 1.00 C ATOM 410 C LEU A 30 52.522 -13.335 -1.954 1.00 1.00 C ATOM 411 O LEU A 30 51.499 -13.635 -1.340 1.00 1.00 O ATOM 412 CB LEU A 30 53.124 -14.992 -3.721 1.00 1.00 C ATOM 413 CG LEU A 30 52.755 -15.421 -5.148 1.00 1.00 C ATOM 414 CD1 LEU A 30 51.237 -15.609 -5.276 1.00 1.00 C ATOM 415 CD2 LEU A 30 53.215 -14.347 -6.135 1.00 1.00 C ATOM 0 H LEU A 30 54.399 -13.013 -4.437 1.00 1.00 H new ATOM 0 HA LEU A 30 51.647 -13.434 -3.910 1.00 1.00 H new ATOM 0 HB2 LEU A 30 54.204 -15.042 -3.586 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.680 -15.679 -3.000 1.00 1.00 H new ATOM 0 HG LEU A 30 53.248 -16.367 -5.369 1.00 1.00 H new ATOM 0 HD11 LEU A 30 50.993 -15.913 -6.294 1.00 1.00 H new ATOM 0 HD12 LEU A 30 50.905 -16.378 -4.578 1.00 1.00 H new ATOM 0 HD13 LEU A 30 50.733 -14.670 -5.047 1.00 1.00 H new ATOM 0 HD21 LEU A 30 52.954 -14.649 -7.149 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.724 -13.403 -5.900 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.295 -14.223 -6.060 1.00 1.00 H new ATOM 427 N ILE A 31 53.588 -12.797 -1.369 1.00 1.00 N ATOM 428 CA ILE A 31 53.602 -12.528 0.064 1.00 1.00 C ATOM 429 C ILE A 31 52.759 -11.292 0.406 1.00 1.00 C ATOM 430 O ILE A 31 51.797 -11.401 1.165 1.00 1.00 O ATOM 431 CB ILE A 31 55.040 -12.355 0.563 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.650 -13.735 0.820 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.039 -11.557 1.869 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.527 -14.592 -0.440 1.00 1.00 C ATOM 0 H ILE A 31 54.445 -12.541 -1.860 1.00 1.00 H new ATOM 0 HA ILE A 31 53.158 -13.385 0.571 1.00 1.00 H new ATOM 0 HB ILE A 31 55.624 -11.823 -0.188 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.698 -13.634 1.102 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.141 -14.220 1.653 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.063 -11.435 2.222 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.596 -10.576 1.696 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.457 -12.090 2.621 1.00 1.00 H new ATOM 0 HD11 ILE A 31 55.962 -15.574 -0.256 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.475 -14.704 -0.702 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.056 -14.109 -1.261 1.00 1.00 H new ATOM 446 N PRO A 32 53.073 -10.127 -0.128 1.00 1.00 N ATOM 447 CA PRO A 32 52.282 -8.891 0.160 1.00 1.00 C ATOM 448 C PRO A 32 50.798 -9.078 -0.149 1.00 1.00 C ATOM 449 O PRO A 32 49.964 -8.266 0.251 1.00 1.00 O ATOM 450 CB PRO A 32 52.895 -7.823 -0.757 1.00 1.00 C ATOM 451 CG PRO A 32 53.723 -8.569 -1.751 1.00 1.00 C ATOM 452 CD PRO A 32 54.188 -9.836 -1.047 1.00 1.00 C ATOM 0 HA PRO A 32 52.328 -8.622 1.215 1.00 1.00 H new ATOM 0 HB2 PRO A 32 52.118 -7.241 -1.253 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.505 -7.122 -0.188 1.00 1.00 H new ATOM 0 HG2 PRO A 32 53.141 -8.809 -2.641 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.573 -7.970 -2.078 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.355 -10.651 -1.751 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.124 -9.680 -0.511 1.00 1.00 H new ATOM 460 N ALA A 33 50.479 -10.151 -0.864 1.00 1.00 N ATOM 461 CA ALA A 33 49.095 -10.434 -1.225 1.00 1.00 C ATOM 462 C ALA A 33 48.365 -11.117 -0.073 1.00 1.00 C ATOM 463 O ALA A 33 47.165 -11.379 -0.156 1.00 1.00 O ATOM 464 CB ALA A 33 49.051 -11.331 -2.462 1.00 1.00 C ATOM 0 H ALA A 33 51.155 -10.835 -1.203 1.00 1.00 H new ATOM 0 HA ALA A 33 48.598 -9.489 -1.443 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.014 -11.538 -2.725 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.543 -10.827 -3.294 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.565 -12.268 -2.250 1.00 1.00 H new ATOM 470 N ILE A 34 49.095 -11.404 1.000 1.00 1.00 N ATOM 471 CA ILE A 34 48.504 -12.058 2.163 1.00 1.00 C ATOM 472 C ILE A 34 48.997 -11.408 3.450 1.00 1.00 C ATOM 473 O ILE A 34 48.201 -10.993 4.292 1.00 1.00 O ATOM 474 CB ILE A 34 48.865 -13.546 2.170 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.588 -13.902 0.867 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.588 -14.381 2.290 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.908 -15.398 0.852 1.00 1.00 C ATOM 0 H ILE A 34 50.090 -11.196 1.089 1.00 1.00 H new ATOM 0 HA ILE A 34 47.421 -11.949 2.104 1.00 1.00 H new ATOM 0 HB ILE A 34 49.518 -13.757 3.017 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.965 -13.644 0.011 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.507 -13.322 0.778 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.845 -15.440 2.295 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.074 -14.128 3.217 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.935 -14.170 1.443 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.422 -15.651 -0.075 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.548 -15.642 1.700 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.982 -15.969 0.920 1.00 1.00 H new ATOM 489 N TYR A 35 50.315 -11.324 3.599 1.00 1.00 N ATOM 490 CA TYR A 35 50.903 -10.723 4.790 1.00 1.00 C ATOM 491 C TYR A 35 50.151 -9.454 5.178 1.00 1.00 C ATOM 492 O TYR A 35 50.071 -9.103 6.355 1.00 1.00 O ATOM 493 CB TYR A 35 52.374 -10.389 4.535 1.00 1.00 C ATOM 494 CG TYR A 35 53.249 -11.351 5.300 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.364 -12.681 4.876 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.947 -10.916 6.433 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.176 -13.575 5.586 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.760 -11.808 7.141 1.00 1.00 C ATOM 499 CZ TYR A 35 54.875 -13.138 6.718 1.00 1.00 C ATOM 500 OH TYR A 35 55.675 -14.018 7.416 1.00 1.00 O ATOM 0 H TYR A 35 50.992 -11.662 2.915 1.00 1.00 H new ATOM 0 HA TYR A 35 50.830 -11.439 5.608 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.592 -10.451 3.469 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.584 -9.365 4.844 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.827 -13.017 4.002 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.858 -9.891 6.761 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.263 -14.601 5.260 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.299 -11.471 8.014 1.00 1.00 H new ATOM 0 HH TYR A 35 56.089 -13.554 8.173 1.00 1.00 H new ATOM 510 N MET A 36 49.601 -8.769 4.180 1.00 1.00 N ATOM 511 CA MET A 36 48.859 -7.539 4.430 1.00 1.00 C ATOM 512 C MET A 36 47.457 -7.851 4.944 1.00 1.00 C ATOM 513 O MET A 36 46.896 -7.100 5.743 1.00 1.00 O ATOM 514 CB MET A 36 48.761 -6.718 3.143 1.00 1.00 C ATOM 515 CG MET A 36 50.158 -6.535 2.547 1.00 1.00 C ATOM 516 SD MET A 36 51.180 -5.571 3.688 1.00 1.00 S ATOM 517 CE MET A 36 52.769 -6.320 3.257 1.00 1.00 C ATOM 0 H MET A 36 49.654 -9.042 3.199 1.00 1.00 H new ATOM 0 HA MET A 36 49.391 -6.965 5.189 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.111 -7.221 2.427 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.313 -5.747 3.352 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.617 -7.507 2.363 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.091 -6.027 1.585 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.559 -5.865 3.854 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.733 -7.391 3.458 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.974 -6.156 2.199 1.00 1.00 H new ATOM 527 N LEU A 37 46.895 -8.962 4.479 1.00 1.00 N ATOM 528 CA LEU A 37 45.557 -9.363 4.898 1.00 1.00 C ATOM 529 C LEU A 37 45.552 -9.772 6.367 1.00 1.00 C ATOM 530 O LEU A 37 44.501 -10.083 6.929 1.00 1.00 O ATOM 531 CB LEU A 37 45.068 -10.532 4.039 1.00 1.00 C ATOM 532 CG LEU A 37 44.321 -9.992 2.819 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.366 -11.027 1.693 1.00 1.00 C ATOM 534 CD2 LEU A 37 42.863 -9.715 3.195 1.00 1.00 C ATOM 0 H LEU A 37 47.341 -9.597 3.817 1.00 1.00 H new ATOM 0 HA LEU A 37 44.888 -8.512 4.769 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.914 -11.141 3.720 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.412 -11.177 4.624 1.00 1.00 H new ATOM 0 HG LEU A 37 44.794 -9.069 2.484 1.00 1.00 H new ATOM 0 HD11 LEU A 37 43.833 -10.642 0.823 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.403 -11.227 1.424 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.893 -11.950 2.028 1.00 1.00 H new ATOM 0 HD21 LEU A 37 42.330 -9.330 2.326 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.392 -10.639 3.530 1.00 1.00 H new ATOM 0 HD23 LEU A 37 42.828 -8.978 3.998 1.00 1.00 H new ATOM 546 N VAL A 38 46.731 -9.770 6.983 1.00 1.00 N ATOM 547 CA VAL A 38 46.853 -10.144 8.389 1.00 1.00 C ATOM 548 C VAL A 38 47.700 -9.126 9.144 1.00 1.00 C ATOM 549 O VAL A 38 47.236 -8.505 10.099 1.00 1.00 O ATOM 550 CB VAL A 38 47.489 -11.529 8.510 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.543 -12.462 9.268 1.00 1.00 C ATOM 552 CG2 VAL A 38 47.750 -12.095 7.113 1.00 1.00 C ATOM 0 H VAL A 38 47.611 -9.515 6.534 1.00 1.00 H new ATOM 0 HA VAL A 38 45.855 -10.164 8.826 1.00 1.00 H new ATOM 0 HB VAL A 38 48.431 -11.448 9.052 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.997 -13.449 9.354 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.357 -12.060 10.264 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.600 -12.542 8.727 1.00 1.00 H new ATOM 0 HG21 VAL A 38 48.203 -13.082 7.199 1.00 1.00 H new ATOM 0 HG22 VAL A 38 46.808 -12.175 6.571 1.00 1.00 H new ATOM 0 HG23 VAL A 38 48.425 -11.432 6.572 1.00 1.00 H new ATOM 562 N PHE A 39 48.944 -8.958 8.712 1.00 1.00 N ATOM 563 CA PHE A 39 49.841 -8.010 9.361 1.00 1.00 C ATOM 564 C PHE A 39 49.121 -6.691 9.625 1.00 1.00 C ATOM 565 O PHE A 39 48.919 -6.302 10.775 1.00 1.00 O ATOM 566 CB PHE A 39 51.064 -7.760 8.476 1.00 1.00 C ATOM 567 CG PHE A 39 52.084 -6.949 9.240 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.868 -7.560 10.226 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.244 -5.587 8.963 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.814 -6.809 10.933 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.190 -4.836 9.670 1.00 1.00 C ATOM 572 CZ PHE A 39 53.975 -5.447 10.656 1.00 1.00 C ATOM 0 H PHE A 39 49.352 -9.460 7.923 1.00 1.00 H new ATOM 0 HA PHE A 39 50.163 -8.432 10.313 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.499 -8.709 8.163 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.768 -7.231 7.570 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.743 -8.611 10.441 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.638 -5.115 8.204 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.420 -7.281 11.692 1.00 1.00 H new ATOM 0 HE2 PHE A 39 53.315 -3.785 9.455 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.704 -4.867 11.202 1.00 1.00 H new ATOM 582 N LEU A 40 48.739 -6.009 8.552 1.00 1.00 N ATOM 583 CA LEU A 40 48.043 -4.734 8.671 1.00 1.00 C ATOM 584 C LEU A 40 46.591 -4.954 9.097 1.00 1.00 C ATOM 585 O LEU A 40 45.677 -4.305 8.587 1.00 1.00 O ATOM 586 CB LEU A 40 48.091 -4.000 7.325 1.00 1.00 C ATOM 587 CG LEU A 40 48.323 -2.503 7.547 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.465 -1.805 6.194 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.133 -1.905 8.302 1.00 1.00 C ATOM 0 H LEU A 40 48.899 -6.316 7.593 1.00 1.00 H new ATOM 0 HA LEU A 40 48.536 -4.130 9.432 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.889 -4.411 6.707 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.157 -4.154 6.785 1.00 1.00 H new ATOM 0 HG LEU A 40 49.232 -2.361 8.131 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.630 -0.739 6.350 1.00 1.00 H new ATOM 0 HD12 LEU A 40 49.312 -2.228 5.653 1.00 1.00 H new ATOM 0 HD13 LEU A 40 47.554 -1.950 5.613 1.00 1.00 H new ATOM 0 HD21 LEU A 40 47.300 -0.839 8.459 1.00 1.00 H new ATOM 0 HD22 LEU A 40 46.223 -2.048 7.719 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.027 -2.402 9.266 1.00 1.00 H new ATOM 601 N LEU A 41 46.387 -5.873 10.035 1.00 1.00 N ATOM 602 CA LEU A 41 45.041 -6.169 10.516 1.00 1.00 C ATOM 603 C LEU A 41 45.090 -6.718 11.941 1.00 1.00 C ATOM 604 O LEU A 41 44.252 -6.378 12.776 1.00 1.00 O ATOM 605 CB LEU A 41 44.376 -7.187 9.582 1.00 1.00 C ATOM 606 CG LEU A 41 43.014 -7.626 10.139 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.143 -6.398 10.417 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.314 -8.516 9.110 1.00 1.00 C ATOM 0 H LEU A 41 47.127 -6.421 10.474 1.00 1.00 H new ATOM 0 HA LEU A 41 44.457 -5.249 10.523 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.246 -6.749 8.592 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.023 -8.056 9.463 1.00 1.00 H new ATOM 0 HG LEU A 41 43.166 -8.177 11.067 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.179 -6.718 10.812 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.639 -5.757 11.146 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.990 -5.843 9.491 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.346 -8.831 9.500 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.168 -7.958 8.185 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.928 -9.394 8.911 1.00 1.00 H new ATOM 620 N GLY A 42 46.074 -7.569 12.211 1.00 1.00 N ATOM 621 CA GLY A 42 46.218 -8.160 13.537 1.00 1.00 C ATOM 622 C GLY A 42 46.964 -7.219 14.477 1.00 1.00 C ATOM 623 O GLY A 42 46.976 -7.423 15.691 1.00 1.00 O ATOM 0 H GLY A 42 46.779 -7.864 11.535 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.234 -8.385 13.948 1.00 1.00 H new ATOM 0 HA3 GLY A 42 46.755 -9.105 13.461 1.00 1.00 H new ATOM 627 N THR A 43 47.584 -6.192 13.909 1.00 1.00 N ATOM 628 CA THR A 43 48.331 -5.227 14.708 1.00 1.00 C ATOM 629 C THR A 43 48.074 -3.808 14.215 1.00 1.00 C ATOM 630 O THR A 43 47.810 -2.906 15.008 1.00 1.00 O ATOM 631 CB THR A 43 49.831 -5.534 14.643 1.00 1.00 C ATOM 632 OG1 THR A 43 50.564 -4.377 15.019 1.00 1.00 O ATOM 633 CG2 THR A 43 50.218 -5.946 13.221 1.00 1.00 C ATOM 0 H THR A 43 47.585 -6.006 12.906 1.00 1.00 H new ATOM 0 HA THR A 43 47.994 -5.305 15.742 1.00 1.00 H new ATOM 0 HB THR A 43 50.061 -6.352 15.326 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.524 -4.571 14.980 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.286 -6.163 13.183 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.657 -6.835 12.934 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.988 -5.134 12.531 1.00 1.00 H new ATOM 641 N THR A 44 48.148 -3.618 12.902 1.00 1.00 N ATOM 642 CA THR A 44 47.918 -2.303 12.316 1.00 1.00 C ATOM 643 C THR A 44 48.588 -1.216 13.152 1.00 1.00 C ATOM 644 O THR A 44 48.217 -0.045 13.077 1.00 1.00 O ATOM 645 CB THR A 44 46.415 -2.030 12.229 1.00 1.00 C ATOM 646 OG1 THR A 44 46.014 -1.235 13.336 1.00 1.00 O ATOM 647 CG2 THR A 44 45.655 -3.356 12.247 1.00 1.00 C ATOM 0 H THR A 44 48.364 -4.352 12.228 1.00 1.00 H new ATOM 0 HA THR A 44 48.350 -2.290 11.315 1.00 1.00 H new ATOM 0 HB THR A 44 46.194 -1.499 11.303 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.475 -0.371 13.302 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.584 -3.162 12.185 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.964 -3.964 11.397 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.874 -3.889 13.172 1.00 1.00 H new ATOM 655 N GLY A 45 49.578 -1.612 13.946 1.00 1.00 N ATOM 656 CA GLY A 45 50.294 -0.662 14.790 1.00 1.00 C ATOM 657 C GLY A 45 49.467 -0.287 16.015 1.00 1.00 C ATOM 658 O GLY A 45 49.951 0.399 16.916 1.00 1.00 O ATOM 0 H GLY A 45 49.901 -2.577 14.023 1.00 1.00 H new ATOM 0 HA2 GLY A 45 51.243 -1.095 15.106 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.528 0.235 14.216 1.00 1.00 H new ATOM 662 N ASN A 46 48.217 -0.739 16.043 1.00 1.00 N ATOM 663 CA ASN A 46 47.333 -0.444 17.164 1.00 1.00 C ATOM 664 C ASN A 46 47.231 -1.645 18.099 1.00 1.00 C ATOM 665 O ASN A 46 46.439 -1.646 19.041 1.00 1.00 O ATOM 666 CB ASN A 46 45.940 -0.078 16.648 1.00 1.00 C ATOM 667 CG ASN A 46 44.984 -1.249 16.851 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.183 -1.241 17.785 1.00 1.00 O ATOM 669 ND2 ASN A 46 45.023 -2.261 16.029 1.00 1.00 N ATOM 0 H ASN A 46 47.796 -1.307 15.308 1.00 1.00 H new ATOM 0 HA ASN A 46 47.749 0.398 17.717 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.568 0.801 17.174 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.991 0.181 15.590 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.388 -3.049 16.159 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.688 -2.265 15.256 1.00 1.00 H new ATOM 676 N GLY A 47 48.038 -2.666 17.831 1.00 1.00 N ATOM 677 CA GLY A 47 48.029 -3.870 18.655 1.00 1.00 C ATOM 678 C GLY A 47 49.223 -3.888 19.604 1.00 1.00 C ATOM 679 O GLY A 47 49.080 -4.182 20.791 1.00 1.00 O ATOM 0 H GLY A 47 48.701 -2.685 17.057 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.103 -3.917 19.228 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.053 -4.753 18.016 1.00 1.00 H new ATOM 683 N LEU A 48 50.400 -3.572 19.073 1.00 1.00 N ATOM 684 CA LEU A 48 51.612 -3.556 19.884 1.00 1.00 C ATOM 685 C LEU A 48 51.955 -2.130 20.304 1.00 1.00 C ATOM 686 O LEU A 48 53.120 -1.804 20.534 1.00 1.00 O ATOM 687 CB LEU A 48 52.783 -4.152 19.096 1.00 1.00 C ATOM 688 CG LEU A 48 52.254 -4.982 17.923 1.00 1.00 C ATOM 689 CD1 LEU A 48 53.428 -5.647 17.200 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.304 -6.062 18.445 1.00 1.00 C ATOM 0 H LEU A 48 50.540 -3.326 18.093 1.00 1.00 H new ATOM 0 HA LEU A 48 51.435 -4.156 20.776 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.428 -3.354 18.727 1.00 1.00 H new ATOM 0 HB3 LEU A 48 53.392 -4.777 19.750 1.00 1.00 H new ATOM 0 HG LEU A 48 51.719 -4.331 17.232 1.00 1.00 H new ATOM 0 HD11 LEU A 48 53.053 -6.238 16.365 1.00 1.00 H new ATOM 0 HD12 LEU A 48 54.107 -4.880 16.826 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.962 -6.297 17.894 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.929 -6.652 17.609 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.838 -6.713 19.137 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.467 -5.592 18.962 1.00 1.00 H new ATOM 702 N VAL A 49 50.935 -1.284 20.400 1.00 1.00 N ATOM 703 CA VAL A 49 51.141 0.105 20.793 1.00 1.00 C ATOM 704 C VAL A 49 50.009 0.579 21.700 1.00 1.00 C ATOM 705 O VAL A 49 50.251 1.197 22.737 1.00 1.00 O ATOM 706 CB VAL A 49 51.207 0.995 19.551 1.00 1.00 C ATOM 707 CG1 VAL A 49 51.782 2.361 19.930 1.00 1.00 C ATOM 708 CG2 VAL A 49 52.107 0.337 18.502 1.00 1.00 C ATOM 0 H VAL A 49 49.964 -1.533 20.213 1.00 1.00 H new ATOM 0 HA VAL A 49 52.082 0.172 21.339 1.00 1.00 H new ATOM 0 HB VAL A 49 50.205 1.124 19.143 1.00 1.00 H new ATOM 0 HG11 VAL A 49 51.829 2.995 19.044 1.00 1.00 H new ATOM 0 HG12 VAL A 49 51.143 2.830 20.678 1.00 1.00 H new ATOM 0 HG13 VAL A 49 52.785 2.233 20.338 1.00 1.00 H new ATOM 0 HG21 VAL A 49 52.155 0.970 17.616 1.00 1.00 H new ATOM 0 HG22 VAL A 49 53.109 0.208 18.911 1.00 1.00 H new ATOM 0 HG23 VAL A 49 51.698 -0.636 18.231 1.00 1.00 H new ATOM 718 N LEU A 50 48.777 0.284 21.302 1.00 1.00 N ATOM 719 CA LEU A 50 47.615 0.685 22.088 1.00 1.00 C ATOM 720 C LEU A 50 47.196 -0.434 23.036 1.00 1.00 C ATOM 721 O LEU A 50 47.244 -0.278 24.256 1.00 1.00 O ATOM 722 CB LEU A 50 46.450 1.032 21.159 1.00 1.00 C ATOM 723 CG LEU A 50 45.244 1.467 21.992 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.698 2.789 21.449 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.155 0.395 21.910 1.00 1.00 C ATOM 0 H LEU A 50 48.557 -0.227 20.447 1.00 1.00 H new ATOM 0 HA LEU A 50 47.884 1.562 22.676 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.741 1.831 20.477 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.190 0.169 20.547 1.00 1.00 H new ATOM 0 HG LEU A 50 45.549 1.599 23.030 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.838 3.099 22.043 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.473 3.553 21.506 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.393 2.658 20.411 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.295 0.704 22.504 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.851 0.264 20.871 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.543 -0.548 22.296 1.00 1.00 H new ATOM 737 N TRP A 51 46.786 -1.563 22.466 1.00 1.00 N ATOM 738 CA TRP A 51 46.361 -2.702 23.271 1.00 1.00 C ATOM 739 C TRP A 51 47.435 -3.069 24.290 1.00 1.00 C ATOM 740 O TRP A 51 47.128 -3.523 25.393 1.00 1.00 O ATOM 741 CB TRP A 51 46.082 -3.904 22.367 1.00 1.00 C ATOM 742 CG TRP A 51 46.139 -5.160 23.176 1.00 1.00 C ATOM 743 CD1 TRP A 51 47.211 -5.982 23.260 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.103 -5.752 24.012 1.00 1.00 C ATOM 745 NE1 TRP A 51 46.899 -7.038 24.096 1.00 1.00 N ATOM 746 CE2 TRP A 51 45.611 -6.942 24.585 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.786 -5.374 24.329 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.839 -7.730 25.439 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.006 -6.164 25.189 1.00 1.00 C ATOM 750 CH2 TRP A 51 43.532 -7.340 25.742 1.00 1.00 C ATOM 0 H TRP A 51 46.739 -1.713 21.458 1.00 1.00 H new ATOM 0 HA TRP A 51 45.450 -2.427 23.803 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.102 -3.803 21.902 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.815 -3.944 21.561 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.155 -5.837 22.756 1.00 1.00 H new ATOM 0 HE1 TRP A 51 47.542 -7.796 24.324 1.00 1.00 H new ATOM 0 HE3 TRP A 51 43.372 -4.470 23.908 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 45.249 -8.635 25.863 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.996 -5.864 25.426 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.927 -7.944 26.402 1.00 1.00 H new ATOM 761 N THR A 52 48.694 -2.868 23.915 1.00 1.00 N ATOM 762 CA THR A 52 49.806 -3.181 24.805 1.00 1.00 C ATOM 763 C THR A 52 49.670 -2.421 26.120 1.00 1.00 C ATOM 764 O THR A 52 50.102 -2.895 27.170 1.00 1.00 O ATOM 765 CB THR A 52 51.132 -2.813 24.136 1.00 1.00 C ATOM 766 OG1 THR A 52 52.200 -3.445 24.826 1.00 1.00 O ATOM 767 CG2 THR A 52 51.322 -1.296 24.174 1.00 1.00 C ATOM 0 H THR A 52 48.969 -2.492 23.007 1.00 1.00 H new ATOM 0 HA THR A 52 49.789 -4.251 25.013 1.00 1.00 H new ATOM 0 HB THR A 52 51.121 -3.148 23.099 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.050 -3.211 24.398 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.267 -1.036 23.697 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.502 -0.813 23.642 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.333 -0.956 25.210 1.00 1.00 H new ATOM 775 N VAL A 53 49.066 -1.238 26.056 1.00 1.00 N ATOM 776 CA VAL A 53 48.878 -0.421 27.248 1.00 1.00 C ATOM 777 C VAL A 53 48.176 -1.220 28.341 1.00 1.00 C ATOM 778 O VAL A 53 48.672 -1.326 29.462 1.00 1.00 O ATOM 779 CB VAL A 53 48.049 0.817 26.906 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.880 1.681 28.158 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.767 1.628 25.824 1.00 1.00 C ATOM 0 H VAL A 53 48.701 -0.827 25.197 1.00 1.00 H new ATOM 0 HA VAL A 53 49.858 -0.113 27.613 1.00 1.00 H new ATOM 0 HB VAL A 53 47.069 0.508 26.542 1.00 1.00 H new ATOM 0 HG11 VAL A 53 47.289 2.564 27.914 1.00 1.00 H new ATOM 0 HG12 VAL A 53 47.371 1.106 28.931 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.860 1.990 28.522 1.00 1.00 H new ATOM 0 HG21 VAL A 53 48.177 2.511 25.579 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.746 1.936 26.190 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.890 1.015 24.931 1.00 1.00 H new ATOM 791 N PHE A 54 47.019 -1.781 28.006 1.00 1.00 N ATOM 792 CA PHE A 54 46.257 -2.570 28.967 1.00 1.00 C ATOM 793 C PHE A 54 46.598 -4.051 28.836 1.00 1.00 C ATOM 794 O PHE A 54 45.737 -4.870 28.513 1.00 1.00 O ATOM 795 CB PHE A 54 44.758 -2.368 28.736 1.00 1.00 C ATOM 796 CG PHE A 54 44.329 -1.050 29.335 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.081 -0.952 30.709 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.179 0.075 28.515 1.00 1.00 C ATOM 799 CE1 PHE A 54 43.683 0.270 31.264 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.781 1.297 29.069 1.00 1.00 C ATOM 801 CZ PHE A 54 43.534 1.395 30.444 1.00 1.00 C ATOM 0 H PHE A 54 46.591 -1.705 27.083 1.00 1.00 H new ATOM 0 HA PHE A 54 46.519 -2.236 29.971 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.539 -2.383 27.668 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.196 -3.185 29.188 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.197 -1.820 31.341 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.370 -0.000 27.455 1.00 1.00 H new ATOM 0 HE1 PHE A 54 43.491 0.345 32.324 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.664 2.164 28.436 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.229 2.338 30.872 1.00 1.00 H new ATOM 811 N ARG A 55 47.859 -4.387 29.087 1.00 1.00 N ATOM 812 CA ARG A 55 48.302 -5.773 28.994 1.00 1.00 C ATOM 813 C ARG A 55 49.683 -5.935 29.623 1.00 1.00 C ATOM 814 O ARG A 55 49.932 -6.888 30.361 1.00 1.00 O ATOM 815 CB ARG A 55 48.351 -6.206 27.524 1.00 1.00 C ATOM 816 CG ARG A 55 48.639 -7.711 27.427 1.00 1.00 C ATOM 817 CD ARG A 55 47.481 -8.514 28.033 1.00 1.00 C ATOM 818 NE ARG A 55 47.768 -8.841 29.425 1.00 1.00 N ATOM 819 CZ ARG A 55 48.560 -9.860 29.742 1.00 1.00 C ATOM 820 NH1 ARG A 55 49.098 -10.586 28.800 1.00 1.00 N ATOM 821 NH2 ARG A 55 48.800 -10.136 30.995 1.00 1.00 N ATOM 0 H ARG A 55 48.587 -3.724 29.354 1.00 1.00 H new ATOM 0 HA ARG A 55 47.594 -6.402 29.534 1.00 1.00 H new ATOM 0 HB2 ARG A 55 47.403 -5.977 27.038 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.123 -5.645 26.997 1.00 1.00 H new ATOM 0 HG2 ARG A 55 48.781 -7.995 26.384 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.566 -7.945 27.950 1.00 1.00 H new ATOM 0 HD2 ARG A 55 46.558 -7.938 27.970 1.00 1.00 H new ATOM 0 HD3 ARG A 55 47.325 -9.429 27.462 1.00 1.00 H new ATOM 0 HE ARG A 55 47.354 -8.278 30.168 1.00 1.00 H new ATOM 0 HH11 ARG A 55 48.911 -10.371 27.821 1.00 1.00 H new ATOM 0 HH12 ARG A 55 49.706 -11.368 29.043 1.00 1.00 H new ATOM 0 HH21 ARG A 55 48.380 -9.569 31.732 1.00 1.00 H new ATOM 0 HH22 ARG A 55 49.408 -10.918 31.238 1.00 1.00 H new ATOM 835 N LYS A 56 50.576 -4.997 29.326 1.00 1.00 N ATOM 836 CA LYS A 56 51.930 -5.045 29.867 1.00 1.00 C ATOM 837 C LYS A 56 51.956 -4.504 31.292 1.00 1.00 C ATOM 838 O LYS A 56 52.907 -4.740 32.039 1.00 1.00 O ATOM 839 CB LYS A 56 52.873 -4.221 28.989 1.00 1.00 C ATOM 840 CG LYS A 56 52.378 -2.776 28.922 1.00 1.00 C ATOM 841 CD LYS A 56 53.315 -1.876 29.729 1.00 1.00 C ATOM 842 CE LYS A 56 52.801 -0.435 29.687 1.00 1.00 C ATOM 843 NZ LYS A 56 53.477 0.364 30.749 1.00 1.00 N ATOM 0 H LYS A 56 50.389 -4.200 28.718 1.00 1.00 H new ATOM 0 HA LYS A 56 52.260 -6.084 29.878 1.00 1.00 H new ATOM 0 HB2 LYS A 56 53.884 -4.251 29.395 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.919 -4.647 27.987 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.339 -2.442 27.885 1.00 1.00 H new ATOM 0 HG3 LYS A 56 51.364 -2.709 29.316 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.371 -2.223 30.761 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.325 -1.925 29.321 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.995 0.003 28.708 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.721 -0.418 29.836 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 53.128 1.343 30.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 53.270 -0.051 31.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.504 0.357 30.587 1.00 1.00 H new ATOM 857 N LYS A 57 50.906 -3.779 31.664 1.00 1.00 N ATOM 858 CA LYS A 57 50.820 -3.209 33.005 1.00 1.00 C ATOM 859 C LYS A 57 50.908 -4.307 34.060 1.00 1.00 C ATOM 860 O LYS A 57 51.536 -4.128 35.104 1.00 1.00 O ATOM 861 CB LYS A 57 49.502 -2.449 33.165 1.00 1.00 C ATOM 862 CG LYS A 57 49.454 -1.294 32.162 1.00 1.00 C ATOM 863 CD LYS A 57 49.916 -0.006 32.846 1.00 1.00 C ATOM 864 CE LYS A 57 49.958 1.129 31.820 1.00 1.00 C ATOM 865 NZ LYS A 57 49.531 2.401 32.469 1.00 1.00 N ATOM 0 H LYS A 57 50.109 -3.573 31.062 1.00 1.00 H new ATOM 0 HA LYS A 57 51.655 -2.522 33.142 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.660 -3.122 33.002 1.00 1.00 H new ATOM 0 HB3 LYS A 57 49.412 -2.066 34.182 1.00 1.00 H new ATOM 0 HG2 LYS A 57 50.093 -1.514 31.307 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.441 -1.172 31.779 1.00 1.00 H new ATOM 0 HD2 LYS A 57 49.238 0.250 33.660 1.00 1.00 H new ATOM 0 HD3 LYS A 57 50.903 -0.149 33.287 1.00 1.00 H new ATOM 0 HE2 LYS A 57 50.966 1.234 31.418 1.00 1.00 H new ATOM 0 HE3 LYS A 57 49.303 0.899 30.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 49.559 3.173 31.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 48.562 2.297 32.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 50.174 2.622 33.256 1.00 1.00 H new ATOM 879 N GLY A 58 50.276 -5.442 33.781 1.00 1.00 N ATOM 880 CA GLY A 58 50.290 -6.562 34.714 1.00 1.00 C ATOM 881 C GLY A 58 48.913 -7.209 34.810 1.00 1.00 C ATOM 882 O GLY A 58 48.253 -7.135 35.847 1.00 1.00 O ATOM 0 H GLY A 58 49.751 -5.610 32.923 1.00 1.00 H new ATOM 0 HA2 GLY A 58 51.022 -7.302 34.389 1.00 1.00 H new ATOM 0 HA3 GLY A 58 50.603 -6.216 35.699 1.00 1.00 H new ATOM 886 N HIS A 59 48.485 -7.843 33.723 1.00 1.00 N ATOM 887 CA HIS A 59 47.185 -8.500 33.697 1.00 1.00 C ATOM 888 C HIS A 59 46.116 -7.598 34.307 1.00 1.00 C ATOM 889 O HIS A 59 45.045 -8.064 34.696 1.00 1.00 O ATOM 890 CB HIS A 59 47.248 -9.816 34.473 1.00 1.00 C ATOM 891 CG HIS A 59 46.891 -10.955 33.558 1.00 1.00 C ATOM 892 ND1 HIS A 59 47.665 -11.834 32.841 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 45.576 -11.305 33.293 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 46.846 -12.715 32.141 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 45.597 -12.353 32.449 1.00 1.00 N flip ATOM 0 H HIS A 59 49.016 -7.915 32.855 1.00 1.00 H new ATOM 0 HA HIS A 59 46.923 -8.704 32.659 1.00 1.00 H new ATOM 0 HB2 HIS A 59 48.248 -9.963 34.881 1.00 1.00 H new ATOM 0 HB3 HIS A 59 46.561 -9.785 35.318 1.00 1.00 H new ATOM 0 HD1 HIS A 59 48.685 -11.840 32.824 1.00 1.00 H new ATOM 0 HD2 HIS A 59 44.695 -10.824 33.691 1.00 1.00 H new ATOM 0 HE1 HIS A 59 47.154 -13.519 31.489 1.00 1.00 H new ATOM 903 N HIS A 60 46.415 -6.306 34.388 1.00 1.00 N ATOM 904 CA HIS A 60 45.472 -5.348 34.952 1.00 1.00 C ATOM 905 C HIS A 60 44.851 -5.898 36.232 1.00 1.00 C ATOM 906 O HIS A 60 43.665 -5.698 36.494 1.00 1.00 O ATOM 907 CB HIS A 60 44.368 -5.041 33.938 1.00 1.00 C ATOM 908 CG HIS A 60 43.916 -3.616 34.104 1.00 1.00 C ATOM 909 ND1 HIS A 60 42.577 -3.273 34.207 1.00 1.00 N ATOM 910 CD2 HIS A 60 44.612 -2.436 34.188 1.00 1.00 C ATOM 911 CE1 HIS A 60 42.509 -1.937 34.345 1.00 1.00 C ATOM 912 NE2 HIS A 60 43.722 -1.377 34.340 1.00 1.00 N ATOM 0 H HIS A 60 47.296 -5.900 34.073 1.00 1.00 H new ATOM 0 HA HIS A 60 46.012 -4.431 35.188 1.00 1.00 H new ATOM 0 HB2 HIS A 60 44.736 -5.201 32.924 1.00 1.00 H new ATOM 0 HB3 HIS A 60 43.527 -5.720 34.083 1.00 1.00 H new ATOM 0 HD2 HIS A 60 45.687 -2.343 34.143 1.00 1.00 H new ATOM 0 HE1 HIS A 60 41.587 -1.384 34.447 1.00 1.00 H new ATOM 0 HE2 HIS A 60 43.947 -0.386 34.429 1.00 1.00 H new ATOM 920 N HIS A 61 45.660 -6.592 37.025 1.00 1.00 N ATOM 921 CA HIS A 61 45.179 -7.167 38.277 1.00 1.00 C ATOM 922 C HIS A 61 46.212 -6.981 39.383 1.00 1.00 C ATOM 923 O HIS A 61 46.456 -7.890 40.177 1.00 1.00 O ATOM 924 CB HIS A 61 44.892 -8.658 38.088 1.00 1.00 C ATOM 925 CG HIS A 61 46.184 -9.392 37.859 1.00 1.00 C ATOM 926 ND1 HIS A 61 47.392 -8.732 37.701 1.00 1.00 N ATOM 927 CD2 HIS A 61 46.473 -10.730 37.756 1.00 1.00 C ATOM 928 CE1 HIS A 61 48.344 -9.664 37.514 1.00 1.00 C ATOM 929 NE2 HIS A 61 47.837 -10.900 37.539 1.00 1.00 N ATOM 0 H HIS A 61 46.645 -6.769 36.826 1.00 1.00 H new ATOM 0 HA HIS A 61 44.261 -6.654 38.564 1.00 1.00 H new ATOM 0 HB2 HIS A 61 44.386 -9.056 38.968 1.00 1.00 H new ATOM 0 HB3 HIS A 61 44.222 -8.806 37.241 1.00 1.00 H new ATOM 0 HD2 HIS A 61 45.751 -11.530 37.832 1.00 1.00 H new ATOM 0 HE1 HIS A 61 49.390 -9.441 37.362 1.00 1.00 H new ATOM 0 HE2 HIS A 61 48.341 -11.779 37.424 1.00 1.00 H new ATOM 937 N HIS A 62 46.815 -5.798 39.430 1.00 1.00 N ATOM 938 CA HIS A 62 47.821 -5.504 40.445 1.00 1.00 C ATOM 939 C HIS A 62 47.190 -4.782 41.631 1.00 1.00 C ATOM 940 O HIS A 62 47.342 -5.202 42.777 1.00 1.00 O ATOM 941 CB HIS A 62 48.929 -4.636 39.846 1.00 1.00 C ATOM 942 CG HIS A 62 50.261 -5.082 40.384 1.00 1.00 C ATOM 943 ND1 HIS A 62 51.432 -4.955 39.655 1.00 1.00 N ATOM 944 CD2 HIS A 62 50.622 -5.653 41.579 1.00 1.00 C ATOM 945 CE1 HIS A 62 52.435 -5.440 40.409 1.00 1.00 C ATOM 946 NE2 HIS A 62 51.996 -5.879 41.592 1.00 1.00 N ATOM 0 H HIS A 62 46.627 -5.032 38.783 1.00 1.00 H new ATOM 0 HA HIS A 62 48.246 -6.446 40.792 1.00 1.00 H new ATOM 0 HB2 HIS A 62 48.919 -4.714 38.759 1.00 1.00 H new ATOM 0 HB3 HIS A 62 48.758 -3.588 40.092 1.00 1.00 H new ATOM 0 HD2 HIS A 62 49.944 -5.891 42.386 1.00 1.00 H new ATOM 0 HE1 HIS A 62 53.468 -5.471 40.096 1.00 1.00 H new ATOM 0 HE2 HIS A 62 52.549 -6.291 42.344 1.00 1.00 H new ATOM 954 N HIS A 63 46.481 -3.694 41.344 1.00 1.00 N ATOM 955 CA HIS A 63 45.829 -2.919 42.394 1.00 1.00 C ATOM 956 C HIS A 63 46.733 -2.797 43.616 1.00 1.00 C ATOM 957 O HIS A 63 46.274 -2.900 44.753 1.00 1.00 O ATOM 958 CB HIS A 63 44.512 -3.588 42.792 1.00 1.00 C ATOM 959 CG HIS A 63 44.802 -4.894 43.479 1.00 1.00 C ATOM 960 ND1 HIS A 63 45.028 -4.978 44.844 1.00 1.00 N ATOM 961 CD2 HIS A 63 44.903 -6.178 43.004 1.00 1.00 C ATOM 962 CE1 HIS A 63 45.253 -6.271 45.140 1.00 1.00 C ATOM 963 NE2 HIS A 63 45.188 -7.046 44.054 1.00 1.00 N ATOM 0 H HIS A 63 46.344 -3.331 40.401 1.00 1.00 H new ATOM 0 HA HIS A 63 45.628 -1.919 42.009 1.00 1.00 H new ATOM 0 HB2 HIS A 63 43.945 -2.934 43.455 1.00 1.00 H new ATOM 0 HB3 HIS A 63 43.896 -3.758 41.909 1.00 1.00 H new ATOM 0 HD1 HIS A 63 45.024 -4.201 45.504 1.00 1.00 H new ATOM 0 HD2 HIS A 63 44.780 -6.470 41.972 1.00 1.00 H new ATOM 0 HE1 HIS A 63 45.461 -6.638 46.134 1.00 1.00 H new ATOM 971 N HIS A 64 48.021 -2.576 43.373 1.00 1.00 N ATOM 972 CA HIS A 64 48.982 -2.441 44.461 1.00 1.00 C ATOM 973 C HIS A 64 48.502 -1.407 45.474 1.00 1.00 C ATOM 974 O HIS A 64 49.156 -1.257 46.494 1.00 1.00 O ATOM 975 CB HIS A 64 50.344 -2.021 43.907 1.00 1.00 C ATOM 976 CG HIS A 64 50.148 -1.232 42.641 1.00 1.00 C ATOM 977 ND1 HIS A 64 49.269 -0.165 42.563 1.00 1.00 N ATOM 978 CD2 HIS A 64 50.713 -1.344 41.394 1.00 1.00 C ATOM 979 CE1 HIS A 64 49.327 0.320 41.310 1.00 1.00 C ATOM 980 NE2 HIS A 64 50.193 -0.363 40.556 1.00 1.00 N ATOM 981 OXT HIS A 64 47.487 -0.780 45.217 1.00 1.00 O ATOM 0 H HIS A 64 48.421 -2.487 42.439 1.00 1.00 H new ATOM 0 HA HIS A 64 49.075 -3.406 44.959 1.00 1.00 H new ATOM 0 HB2 HIS A 64 50.879 -1.421 44.643 1.00 1.00 H new ATOM 0 HB3 HIS A 64 50.955 -2.901 43.709 1.00 1.00 H new ATOM 0 HD2 HIS A 64 51.449 -2.081 41.108 1.00 1.00 H new ATOM 0 HE1 HIS A 64 48.745 1.158 40.957 1.00 1.00 H new ATOM 0 HE2 HIS A 64 50.423 -0.200 39.576 1.00 1.00 H new TER 989 HIS A 64