USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 59 HIS : no HD1:sc= -5.23! C(o=-10!,f=-25!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -4.98! C(o=-10!,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -1.05 (180deg=-1.35) USER MOD Single : A 9 ASN : amide:sc= 0.0151! C(o=0.015!,f=-5.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.263 K(o=-0.26,f=-0.86) USER MOD Single : A 16 GLN : amide:sc= -0.0725 X(o=-0.073,f=-0.13) USER MOD Single : A 17 SER OG : rot -78:sc= 0.759 USER MOD Single : A 19 CYS SG : rot 97:sc= 0.283 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.119 (180deg=-0.752) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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 151:sc= -0.157 USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.423 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.4 F(o=-2.8!,f=-1.4) USER MOD Single : A 52 THR OG1 : rot -11:sc= 1.22 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.000807) USER MOD Single : A 61 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.373 K(o=-0.37,f=-1.4) USER MOD Single : A 63 HIS : no HD1:sc=-0.00158 X(o=-0.0016,f=-0.12) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 43.116 -5.805 -10.942 1.00 1.00 N ATOM 2 CA MET A 1 42.301 -5.294 -9.803 1.00 1.00 C ATOM 3 C MET A 1 42.640 -6.085 -8.545 1.00 1.00 C ATOM 4 O MET A 1 43.147 -5.531 -7.569 1.00 1.00 O ATOM 5 CB MET A 1 40.814 -5.449 -10.133 1.00 1.00 C ATOM 6 CG MET A 1 40.653 -6.375 -11.340 1.00 1.00 C ATOM 7 SD MET A 1 38.896 -6.719 -11.605 1.00 1.00 S ATOM 8 CE MET A 1 38.900 -6.542 -13.406 1.00 1.00 C ATOM 0 H1 MET A 1 42.815 -5.338 -11.821 1.00 1.00 H new ATOM 0 H2 MET A 1 44.121 -5.602 -10.768 1.00 1.00 H new ATOM 0 H3 MET A 1 42.981 -6.832 -11.032 1.00 1.00 H new ATOM 0 HA MET A 1 42.522 -4.240 -9.634 1.00 1.00 H new ATOM 0 HB2 MET A 1 40.281 -5.857 -9.274 1.00 1.00 H new ATOM 0 HB3 MET A 1 40.375 -4.475 -10.347 1.00 1.00 H new ATOM 0 HG2 MET A 1 41.082 -5.911 -12.228 1.00 1.00 H new ATOM 0 HG3 MET A 1 41.196 -7.305 -11.173 1.00 1.00 H new ATOM 0 HE1 MET A 1 37.895 -6.716 -13.791 1.00 1.00 H new ATOM 0 HE2 MET A 1 39.221 -5.535 -13.672 1.00 1.00 H new ATOM 0 HE3 MET A 1 39.586 -7.268 -13.841 1.00 1.00 H new ATOM 20 N GLU A 2 42.355 -7.384 -8.572 1.00 1.00 N ATOM 21 CA GLU A 2 42.635 -8.242 -7.427 1.00 1.00 C ATOM 22 C GLU A 2 42.159 -7.583 -6.136 1.00 1.00 C ATOM 23 O GLU A 2 42.945 -7.362 -5.214 1.00 1.00 O ATOM 24 CB GLU A 2 44.136 -8.520 -7.337 1.00 1.00 C ATOM 25 CG GLU A 2 44.590 -9.282 -8.583 1.00 1.00 C ATOM 26 CD GLU A 2 46.013 -9.796 -8.391 1.00 1.00 C ATOM 27 OE1 GLU A 2 46.200 -10.663 -7.552 1.00 1.00 O ATOM 28 OE2 GLU A 2 46.894 -9.317 -9.086 1.00 1.00 O ATOM 0 H GLU A 2 41.933 -7.862 -9.368 1.00 1.00 H new ATOM 0 HA GLU A 2 42.100 -9.182 -7.561 1.00 1.00 H new ATOM 0 HB2 GLU A 2 44.686 -7.583 -7.251 1.00 1.00 H new ATOM 0 HB3 GLU A 2 44.356 -9.102 -6.442 1.00 1.00 H new ATOM 0 HG2 GLU A 2 43.916 -10.117 -8.774 1.00 1.00 H new ATOM 0 HG3 GLU A 2 44.545 -8.629 -9.455 1.00 1.00 H new ATOM 35 N GLU A 3 40.869 -7.272 -6.076 1.00 1.00 N ATOM 36 CA GLU A 3 40.299 -6.638 -4.893 1.00 1.00 C ATOM 37 C GLU A 3 41.152 -5.450 -4.458 1.00 1.00 C ATOM 38 O GLU A 3 41.848 -5.512 -3.445 1.00 1.00 O ATOM 39 CB GLU A 3 40.211 -7.650 -3.750 1.00 1.00 C ATOM 40 CG GLU A 3 39.229 -8.761 -4.126 1.00 1.00 C ATOM 41 CD GLU A 3 39.287 -9.881 -3.092 1.00 1.00 C ATOM 42 OE1 GLU A 3 40.381 -10.338 -2.804 1.00 1.00 O ATOM 43 OE2 GLU A 3 38.237 -10.265 -2.604 1.00 1.00 O ATOM 0 H GLU A 3 40.202 -7.447 -6.827 1.00 1.00 H new ATOM 0 HA GLU A 3 39.299 -6.282 -5.141 1.00 1.00 H new ATOM 0 HB2 GLU A 3 41.195 -8.073 -3.548 1.00 1.00 H new ATOM 0 HB3 GLU A 3 39.883 -7.155 -2.836 1.00 1.00 H new ATOM 0 HG2 GLU A 3 38.217 -8.359 -4.183 1.00 1.00 H new ATOM 0 HG3 GLU A 3 39.472 -9.154 -5.113 1.00 1.00 H new ATOM 50 N GLY A 4 41.092 -4.371 -5.231 1.00 1.00 N ATOM 51 CA GLY A 4 41.863 -3.173 -4.915 1.00 1.00 C ATOM 52 C GLY A 4 41.527 -2.040 -5.878 1.00 1.00 C ATOM 53 O GLY A 4 42.418 -1.418 -6.455 1.00 1.00 O ATOM 0 H GLY A 4 40.523 -4.300 -6.074 1.00 1.00 H new ATOM 0 HA2 GLY A 4 41.654 -2.860 -3.892 1.00 1.00 H new ATOM 0 HA3 GLY A 4 42.928 -3.397 -4.968 1.00 1.00 H new ATOM 57 N GLY A 5 40.235 -1.776 -6.046 1.00 1.00 N ATOM 58 CA GLY A 5 39.792 -0.714 -6.942 1.00 1.00 C ATOM 59 C GLY A 5 39.387 0.528 -6.155 1.00 1.00 C ATOM 60 O GLY A 5 38.211 0.728 -5.853 1.00 1.00 O ATOM 0 H GLY A 5 39.481 -2.279 -5.577 1.00 1.00 H new ATOM 0 HA2 GLY A 5 40.592 -0.463 -7.639 1.00 1.00 H new ATOM 0 HA3 GLY A 5 38.948 -1.063 -7.537 1.00 1.00 H new ATOM 64 N ASP A 6 40.370 1.360 -5.827 1.00 1.00 N ATOM 65 CA ASP A 6 40.105 2.581 -5.075 1.00 1.00 C ATOM 66 C ASP A 6 40.976 3.725 -5.585 1.00 1.00 C ATOM 67 O ASP A 6 41.524 4.498 -4.800 1.00 1.00 O ATOM 68 CB ASP A 6 40.382 2.350 -3.588 1.00 1.00 C ATOM 69 CG ASP A 6 39.303 1.452 -2.990 1.00 1.00 C ATOM 70 OD1 ASP A 6 38.261 1.973 -2.627 1.00 1.00 O ATOM 71 OD2 ASP A 6 39.535 0.257 -2.907 1.00 1.00 O ATOM 0 H ASP A 6 41.350 1.213 -6.068 1.00 1.00 H new ATOM 0 HA ASP A 6 39.057 2.849 -5.212 1.00 1.00 H new ATOM 0 HB2 ASP A 6 41.362 1.890 -3.459 1.00 1.00 H new ATOM 0 HB3 ASP A 6 40.406 3.304 -3.061 1.00 1.00 H new ATOM 76 N PHE A 7 41.098 3.825 -6.904 1.00 1.00 N ATOM 77 CA PHE A 7 41.906 4.878 -7.508 1.00 1.00 C ATOM 78 C PHE A 7 43.279 4.946 -6.849 1.00 1.00 C ATOM 79 O PHE A 7 43.765 6.026 -6.514 1.00 1.00 O ATOM 80 CB PHE A 7 41.200 6.227 -7.361 1.00 1.00 C ATOM 81 CG PHE A 7 39.705 6.015 -7.352 1.00 1.00 C ATOM 82 CD1 PHE A 7 39.112 5.169 -8.297 1.00 1.00 C ATOM 83 CD2 PHE A 7 38.911 6.666 -6.400 1.00 1.00 C ATOM 84 CE1 PHE A 7 37.726 4.973 -8.290 1.00 1.00 C ATOM 85 CE2 PHE A 7 37.525 6.470 -6.392 1.00 1.00 C ATOM 86 CZ PHE A 7 36.933 5.623 -7.337 1.00 1.00 C ATOM 0 H PHE A 7 40.652 3.195 -7.571 1.00 1.00 H new ATOM 0 HA PHE A 7 42.035 4.649 -8.566 1.00 1.00 H new ATOM 0 HB2 PHE A 7 41.514 6.715 -6.439 1.00 1.00 H new ATOM 0 HB3 PHE A 7 41.479 6.887 -8.182 1.00 1.00 H new ATOM 0 HD1 PHE A 7 39.724 4.667 -9.032 1.00 1.00 H new ATOM 0 HD2 PHE A 7 39.368 7.320 -5.672 1.00 1.00 H new ATOM 0 HE1 PHE A 7 37.269 4.321 -9.019 1.00 1.00 H new ATOM 0 HE2 PHE A 7 36.913 6.972 -5.657 1.00 1.00 H new ATOM 0 HZ PHE A 7 35.864 5.471 -7.331 1.00 1.00 H new ATOM 96 N ASP A 8 43.900 3.786 -6.665 1.00 1.00 N ATOM 97 CA ASP A 8 45.218 3.725 -6.044 1.00 1.00 C ATOM 98 C ASP A 8 46.106 2.717 -6.766 1.00 1.00 C ATOM 99 O ASP A 8 47.173 2.351 -6.272 1.00 1.00 O ATOM 100 CB ASP A 8 45.084 3.328 -4.572 1.00 1.00 C ATOM 101 CG ASP A 8 44.893 4.572 -3.711 1.00 1.00 C ATOM 102 OD1 ASP A 8 43.755 4.976 -3.535 1.00 1.00 O ATOM 103 OD2 ASP A 8 45.886 5.103 -3.241 1.00 1.00 O ATOM 0 H ASP A 8 43.515 2.881 -6.935 1.00 1.00 H new ATOM 0 HA ASP A 8 45.677 4.711 -6.114 1.00 1.00 H new ATOM 0 HB2 ASP A 8 44.237 2.654 -4.444 1.00 1.00 H new ATOM 0 HB3 ASP A 8 45.974 2.786 -4.251 1.00 1.00 H new ATOM 108 N ASN A 9 45.659 2.274 -7.936 1.00 1.00 N ATOM 109 CA ASN A 9 46.423 1.308 -8.717 1.00 1.00 C ATOM 110 C ASN A 9 47.877 1.750 -8.841 1.00 1.00 C ATOM 111 O ASN A 9 48.225 2.875 -8.482 1.00 1.00 O ATOM 112 CB ASN A 9 45.812 1.163 -10.112 1.00 1.00 C ATOM 113 CG ASN A 9 45.483 2.538 -10.683 1.00 1.00 C ATOM 114 OD1 ASN A 9 44.793 3.330 -10.041 1.00 1.00 O ATOM 115 ND2 ASN A 9 45.936 2.870 -11.861 1.00 1.00 N ATOM 0 H ASN A 9 44.779 2.565 -8.362 1.00 1.00 H new ATOM 0 HA ASN A 9 46.389 0.347 -8.204 1.00 1.00 H new ATOM 0 HB2 ASN A 9 46.508 0.644 -10.771 1.00 1.00 H new ATOM 0 HB3 ASN A 9 44.908 0.556 -10.061 1.00 1.00 H new ATOM 0 HD21 ASN A 9 45.719 3.787 -12.251 1.00 1.00 H new ATOM 0 HD22 ASN A 9 46.508 2.213 -12.391 1.00 1.00 H new ATOM 122 N TYR A 10 48.719 0.860 -9.357 1.00 1.00 N ATOM 123 CA TYR A 10 50.133 1.164 -9.530 1.00 1.00 C ATOM 124 C TYR A 10 50.779 1.525 -8.197 1.00 1.00 C ATOM 125 O TYR A 10 50.170 2.187 -7.358 1.00 1.00 O ATOM 126 CB TYR A 10 50.285 2.319 -10.514 1.00 1.00 C ATOM 127 CG TYR A 10 51.632 2.232 -11.192 1.00 1.00 C ATOM 128 CD1 TYR A 10 51.807 1.387 -12.295 1.00 1.00 C ATOM 129 CD2 TYR A 10 52.705 2.995 -10.718 1.00 1.00 C ATOM 130 CE1 TYR A 10 53.055 1.306 -12.923 1.00 1.00 C ATOM 131 CE2 TYR A 10 53.954 2.914 -11.346 1.00 1.00 C ATOM 132 CZ TYR A 10 54.129 2.069 -12.449 1.00 1.00 C ATOM 133 OH TYR A 10 55.359 1.989 -13.069 1.00 1.00 O ATOM 0 H TYR A 10 48.447 -0.075 -9.661 1.00 1.00 H new ATOM 0 HA TYR A 10 50.636 0.280 -9.921 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.489 2.284 -11.258 1.00 1.00 H new ATOM 0 HB3 TYR A 10 50.190 3.271 -9.991 1.00 1.00 H new ATOM 0 HD1 TYR A 10 50.979 0.798 -12.661 1.00 1.00 H new ATOM 0 HD2 TYR A 10 52.570 3.647 -9.867 1.00 1.00 H new ATOM 0 HE1 TYR A 10 53.190 0.655 -13.774 1.00 1.00 H new ATOM 0 HE2 TYR A 10 54.782 3.503 -10.980 1.00 1.00 H new ATOM 0 HH TYR A 10 55.993 2.583 -12.616 1.00 1.00 H new ATOM 143 N TYR A 11 52.019 1.084 -8.007 1.00 1.00 N ATOM 144 CA TYR A 11 52.738 1.366 -6.771 1.00 1.00 C ATOM 145 C TYR A 11 51.816 1.200 -5.568 1.00 1.00 C ATOM 146 O TYR A 11 51.863 1.987 -4.624 1.00 1.00 O ATOM 147 CB TYR A 11 53.291 2.792 -6.801 1.00 1.00 C ATOM 148 CG TYR A 11 54.499 2.884 -5.899 1.00 1.00 C ATOM 149 CD1 TYR A 11 55.749 2.452 -6.357 1.00 1.00 C ATOM 150 CD2 TYR A 11 54.367 3.401 -4.605 1.00 1.00 C ATOM 151 CE1 TYR A 11 56.869 2.539 -5.520 1.00 1.00 C ATOM 152 CE2 TYR A 11 55.487 3.488 -3.768 1.00 1.00 C ATOM 153 CZ TYR A 11 56.738 3.056 -4.226 1.00 1.00 C ATOM 154 OH TYR A 11 57.841 3.141 -3.402 1.00 1.00 O ATOM 0 H TYR A 11 52.543 0.534 -8.688 1.00 1.00 H new ATOM 0 HA TYR A 11 53.564 0.660 -6.683 1.00 1.00 H new ATOM 0 HB2 TYR A 11 53.563 3.066 -7.820 1.00 1.00 H new ATOM 0 HB3 TYR A 11 52.526 3.497 -6.475 1.00 1.00 H new ATOM 0 HD1 TYR A 11 55.850 2.052 -7.355 1.00 1.00 H new ATOM 0 HD2 TYR A 11 53.402 3.733 -4.252 1.00 1.00 H new ATOM 0 HE1 TYR A 11 57.834 2.207 -5.873 1.00 1.00 H new ATOM 0 HE2 TYR A 11 55.386 3.888 -2.770 1.00 1.00 H new ATOM 0 HH TYR A 11 57.576 3.523 -2.539 1.00 1.00 H new ATOM 164 N GLY A 12 50.977 0.170 -5.612 1.00 1.00 N ATOM 165 CA GLY A 12 50.046 -0.092 -4.521 1.00 1.00 C ATOM 166 C GLY A 12 48.856 -0.910 -5.006 1.00 1.00 C ATOM 167 O GLY A 12 47.745 -0.771 -4.492 1.00 1.00 O ATOM 0 H GLY A 12 50.923 -0.492 -6.386 1.00 1.00 H new ATOM 0 HA2 GLY A 12 50.558 -0.627 -3.721 1.00 1.00 H new ATOM 0 HA3 GLY A 12 49.697 0.851 -4.101 1.00 1.00 H new ATOM 171 N ALA A 13 49.096 -1.761 -6.000 1.00 1.00 N ATOM 172 CA ALA A 13 48.038 -2.601 -6.555 1.00 1.00 C ATOM 173 C ALA A 13 48.470 -4.064 -6.577 1.00 1.00 C ATOM 174 O ALA A 13 47.638 -4.968 -6.495 1.00 1.00 O ATOM 175 CB ALA A 13 47.702 -2.146 -7.976 1.00 1.00 C ATOM 0 H ALA A 13 50.009 -1.887 -6.436 1.00 1.00 H new ATOM 0 HA ALA A 13 47.155 -2.504 -5.923 1.00 1.00 H new ATOM 0 HB1 ALA A 13 46.912 -2.777 -8.383 1.00 1.00 H new ATOM 0 HB2 ALA A 13 47.364 -1.110 -7.956 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.590 -2.226 -8.603 1.00 1.00 H new ATOM 181 N ASP A 14 49.775 -4.290 -6.687 1.00 1.00 N ATOM 182 CA ASP A 14 50.305 -5.648 -6.719 1.00 1.00 C ATOM 183 C ASP A 14 50.864 -6.037 -5.354 1.00 1.00 C ATOM 184 O ASP A 14 51.019 -7.220 -5.051 1.00 1.00 O ATOM 185 CB ASP A 14 51.409 -5.754 -7.773 1.00 1.00 C ATOM 186 CG ASP A 14 50.848 -5.415 -9.150 1.00 1.00 C ATOM 187 OD1 ASP A 14 50.138 -4.429 -9.253 1.00 1.00 O ATOM 188 OD2 ASP A 14 51.136 -6.149 -10.082 1.00 1.00 O ATOM 0 H ASP A 14 50.480 -3.556 -6.755 1.00 1.00 H new ATOM 0 HA ASP A 14 49.493 -6.329 -6.974 1.00 1.00 H new ATOM 0 HB2 ASP A 14 52.225 -5.075 -7.526 1.00 1.00 H new ATOM 0 HB3 ASP A 14 51.823 -6.762 -7.778 1.00 1.00 H new ATOM 193 N ASN A 15 51.163 -5.034 -4.535 1.00 1.00 N ATOM 194 CA ASN A 15 51.704 -5.284 -3.203 1.00 1.00 C ATOM 195 C ASN A 15 50.753 -6.161 -2.395 1.00 1.00 C ATOM 196 O ASN A 15 51.160 -6.809 -1.431 1.00 1.00 O ATOM 197 CB ASN A 15 51.924 -3.958 -2.473 1.00 1.00 C ATOM 198 CG ASN A 15 52.138 -4.214 -0.984 1.00 1.00 C ATOM 199 OD1 ASN A 15 51.175 -4.287 -0.222 1.00 1.00 O ATOM 200 ND2 ASN A 15 53.350 -4.353 -0.523 1.00 1.00 N ATOM 0 H ASN A 15 51.041 -4.048 -4.767 1.00 1.00 H new ATOM 0 HA ASN A 15 52.657 -5.803 -3.309 1.00 1.00 H new ATOM 0 HB2 ASN A 15 52.789 -3.442 -2.890 1.00 1.00 H new ATOM 0 HB3 ASN A 15 51.063 -3.306 -2.619 1.00 1.00 H new ATOM 0 HD21 ASN A 15 53.501 -4.523 0.471 1.00 1.00 H new ATOM 0 HD22 ASN A 15 54.147 -4.292 -1.157 1.00 1.00 H new ATOM 207 N GLN A 16 49.486 -6.176 -2.795 1.00 1.00 N ATOM 208 CA GLN A 16 48.486 -6.978 -2.099 1.00 1.00 C ATOM 209 C GLN A 16 48.226 -8.280 -2.850 1.00 1.00 C ATOM 210 O GLN A 16 47.387 -9.084 -2.445 1.00 1.00 O ATOM 211 CB GLN A 16 47.180 -6.190 -1.972 1.00 1.00 C ATOM 212 CG GLN A 16 46.619 -5.904 -3.367 1.00 1.00 C ATOM 213 CD GLN A 16 45.763 -4.643 -3.335 1.00 1.00 C ATOM 214 OE1 GLN A 16 46.219 -3.571 -3.733 1.00 1.00 O ATOM 215 NE2 GLN A 16 44.540 -4.707 -2.884 1.00 1.00 N ATOM 0 H GLN A 16 49.129 -5.647 -3.591 1.00 1.00 H new ATOM 0 HA GLN A 16 48.865 -7.215 -1.105 1.00 1.00 H new ATOM 0 HB2 GLN A 16 46.456 -6.757 -1.386 1.00 1.00 H new ATOM 0 HB3 GLN A 16 47.357 -5.255 -1.441 1.00 1.00 H new ATOM 0 HG2 GLN A 16 47.436 -5.781 -4.078 1.00 1.00 H new ATOM 0 HG3 GLN A 16 46.023 -6.750 -3.709 1.00 1.00 H new ATOM 0 HE21 GLN A 16 44.164 -5.596 -2.555 1.00 1.00 H new ATOM 0 HE22 GLN A 16 43.960 -3.868 -2.861 1.00 1.00 H new ATOM 224 N SER A 17 48.950 -8.479 -3.946 1.00 1.00 N ATOM 225 CA SER A 17 48.789 -9.687 -4.747 1.00 1.00 C ATOM 226 C SER A 17 49.868 -10.708 -4.400 1.00 1.00 C ATOM 227 O SER A 17 49.576 -11.881 -4.171 1.00 1.00 O ATOM 228 CB SER A 17 48.869 -9.342 -6.234 1.00 1.00 C ATOM 229 OG SER A 17 50.233 -9.241 -6.619 1.00 1.00 O ATOM 0 H SER A 17 49.649 -7.825 -4.298 1.00 1.00 H new ATOM 0 HA SER A 17 47.813 -10.119 -4.527 1.00 1.00 H new ATOM 0 HB2 SER A 17 48.368 -10.109 -6.825 1.00 1.00 H new ATOM 0 HB3 SER A 17 48.353 -8.402 -6.429 1.00 1.00 H new ATOM 0 HG SER A 17 50.595 -8.381 -6.319 1.00 1.00 H new ATOM 235 N GLU A 18 51.116 -10.252 -4.363 1.00 1.00 N ATOM 236 CA GLU A 18 52.231 -11.135 -4.042 1.00 1.00 C ATOM 237 C GLU A 18 51.980 -11.859 -2.724 1.00 1.00 C ATOM 238 O GLU A 18 52.616 -12.871 -2.429 1.00 1.00 O ATOM 239 CB GLU A 18 53.526 -10.325 -3.943 1.00 1.00 C ATOM 240 CG GLU A 18 53.698 -9.480 -5.207 1.00 1.00 C ATOM 241 CD GLU A 18 55.034 -8.745 -5.165 1.00 1.00 C ATOM 242 OE1 GLU A 18 56.049 -9.392 -5.360 1.00 1.00 O ATOM 243 OE2 GLU A 18 55.021 -7.546 -4.937 1.00 1.00 O ATOM 0 H GLU A 18 51.379 -9.284 -4.550 1.00 1.00 H new ATOM 0 HA GLU A 18 52.324 -11.875 -4.837 1.00 1.00 H new ATOM 0 HB2 GLU A 18 53.499 -9.682 -3.064 1.00 1.00 H new ATOM 0 HB3 GLU A 18 54.378 -10.994 -3.822 1.00 1.00 H new ATOM 0 HG2 GLU A 18 53.652 -10.118 -6.090 1.00 1.00 H new ATOM 0 HG3 GLU A 18 52.881 -8.763 -5.289 1.00 1.00 H new ATOM 250 N CYS A 19 51.049 -11.334 -1.933 1.00 1.00 N ATOM 251 CA CYS A 19 50.721 -11.940 -0.648 1.00 1.00 C ATOM 252 C CYS A 19 49.656 -13.018 -0.819 1.00 1.00 C ATOM 253 O CYS A 19 49.618 -13.991 -0.068 1.00 1.00 O ATOM 254 CB CYS A 19 50.216 -10.869 0.319 1.00 1.00 C ATOM 255 SG CYS A 19 51.469 -9.575 0.497 1.00 1.00 S ATOM 0 H CYS A 19 50.512 -10.496 -2.157 1.00 1.00 H new ATOM 0 HA CYS A 19 51.623 -12.399 -0.243 1.00 1.00 H new ATOM 0 HB2 CYS A 19 49.285 -10.440 -0.051 1.00 1.00 H new ATOM 0 HB3 CYS A 19 49.998 -11.314 1.290 1.00 1.00 H new ATOM 0 HG CYS A 19 51.187 -8.586 -0.298 1.00 1.00 H new ATOM 261 N GLU A 20 48.793 -12.837 -1.813 1.00 1.00 N ATOM 262 CA GLU A 20 47.730 -13.801 -2.075 1.00 1.00 C ATOM 263 C GLU A 20 48.196 -14.852 -3.077 1.00 1.00 C ATOM 264 O GLU A 20 47.723 -15.988 -3.065 1.00 1.00 O ATOM 265 CB GLU A 20 46.496 -13.082 -2.622 1.00 1.00 C ATOM 266 CG GLU A 20 45.591 -14.090 -3.334 1.00 1.00 C ATOM 267 CD GLU A 20 44.170 -13.545 -3.420 1.00 1.00 C ATOM 268 OE1 GLU A 20 43.979 -12.549 -4.099 1.00 1.00 O ATOM 269 OE2 GLU A 20 43.293 -14.131 -2.806 1.00 1.00 O ATOM 0 H GLU A 20 48.808 -12.038 -2.447 1.00 1.00 H new ATOM 0 HA GLU A 20 47.475 -14.297 -1.138 1.00 1.00 H new ATOM 0 HB2 GLU A 20 45.953 -12.600 -1.809 1.00 1.00 H new ATOM 0 HB3 GLU A 20 46.797 -12.296 -3.314 1.00 1.00 H new ATOM 0 HG2 GLU A 20 45.973 -14.291 -4.335 1.00 1.00 H new ATOM 0 HG3 GLU A 20 45.594 -15.038 -2.795 1.00 1.00 H new ATOM 276 N TYR A 21 49.125 -14.465 -3.945 1.00 1.00 N ATOM 277 CA TYR A 21 49.647 -15.383 -4.950 1.00 1.00 C ATOM 278 C TYR A 21 50.121 -16.679 -4.300 1.00 1.00 C ATOM 279 O TYR A 21 50.052 -17.749 -4.905 1.00 1.00 O ATOM 280 CB TYR A 21 50.813 -14.730 -5.697 1.00 1.00 C ATOM 281 CG TYR A 21 51.476 -15.752 -6.589 1.00 1.00 C ATOM 282 CD1 TYR A 21 52.466 -16.596 -6.071 1.00 1.00 C ATOM 283 CD2 TYR A 21 51.101 -15.856 -7.933 1.00 1.00 C ATOM 284 CE1 TYR A 21 53.080 -17.544 -6.898 1.00 1.00 C ATOM 285 CE2 TYR A 21 51.715 -16.804 -8.761 1.00 1.00 C ATOM 286 CZ TYR A 21 52.705 -17.648 -8.243 1.00 1.00 C ATOM 287 OH TYR A 21 53.311 -18.582 -9.058 1.00 1.00 O ATOM 0 H TYR A 21 49.529 -13.529 -3.973 1.00 1.00 H new ATOM 0 HA TYR A 21 48.847 -15.614 -5.653 1.00 1.00 H new ATOM 0 HB2 TYR A 21 50.453 -13.891 -6.293 1.00 1.00 H new ATOM 0 HB3 TYR A 21 51.535 -14.329 -4.986 1.00 1.00 H new ATOM 0 HD1 TYR A 21 52.756 -16.516 -5.034 1.00 1.00 H new ATOM 0 HD2 TYR A 21 50.337 -15.205 -8.332 1.00 1.00 H new ATOM 0 HE1 TYR A 21 53.843 -18.195 -6.498 1.00 1.00 H new ATOM 0 HE2 TYR A 21 51.425 -16.884 -9.798 1.00 1.00 H new ATOM 0 HH TYR A 21 52.934 -18.522 -9.961 1.00 1.00 H new ATOM 297 N THR A 22 50.600 -16.575 -3.065 1.00 1.00 N ATOM 298 CA THR A 22 51.082 -17.746 -2.342 1.00 1.00 C ATOM 299 C THR A 22 49.920 -18.492 -1.692 1.00 1.00 C ATOM 300 O THR A 22 50.078 -19.621 -1.228 1.00 1.00 O ATOM 301 CB THR A 22 52.083 -17.320 -1.266 1.00 1.00 C ATOM 302 OG1 THR A 22 51.593 -16.166 -0.596 1.00 1.00 O ATOM 303 CG2 THR A 22 53.430 -17.002 -1.916 1.00 1.00 C ATOM 0 H THR A 22 50.665 -15.699 -2.547 1.00 1.00 H new ATOM 0 HA THR A 22 51.573 -18.411 -3.052 1.00 1.00 H new ATOM 0 HB THR A 22 52.212 -18.130 -0.548 1.00 1.00 H new ATOM 0 HG1 THR A 22 52.232 -15.893 0.095 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.142 -16.699 -1.148 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.805 -17.888 -2.429 1.00 1.00 H new ATOM 0 HG23 THR A 22 53.305 -16.192 -2.635 1.00 1.00 H new ATOM 311 N ASP A 23 48.755 -17.853 -1.664 1.00 1.00 N ATOM 312 CA ASP A 23 47.574 -18.466 -1.067 1.00 1.00 C ATOM 313 C ASP A 23 46.683 -19.074 -2.146 1.00 1.00 C ATOM 314 O ASP A 23 46.193 -20.194 -2.003 1.00 1.00 O ATOM 315 CB ASP A 23 46.784 -17.421 -0.279 1.00 1.00 C ATOM 316 CG ASP A 23 46.625 -17.870 1.169 1.00 1.00 C ATOM 317 OD1 ASP A 23 45.948 -18.861 1.391 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.185 -17.219 2.036 1.00 1.00 O ATOM 0 H ASP A 23 48.604 -16.919 -2.044 1.00 1.00 H new ATOM 0 HA ASP A 23 47.900 -19.258 -0.392 1.00 1.00 H new ATOM 0 HB2 ASP A 23 47.298 -16.461 -0.316 1.00 1.00 H new ATOM 0 HB3 ASP A 23 45.804 -17.276 -0.733 1.00 1.00 H new ATOM 323 N TRP A 24 46.476 -18.327 -3.227 1.00 1.00 N ATOM 324 CA TRP A 24 45.641 -18.803 -4.323 1.00 1.00 C ATOM 325 C TRP A 24 46.166 -20.131 -4.860 1.00 1.00 C ATOM 326 O TRP A 24 45.406 -21.081 -5.042 1.00 1.00 O ATOM 327 CB TRP A 24 45.620 -17.768 -5.450 1.00 1.00 C ATOM 328 CG TRP A 24 45.611 -18.468 -6.771 1.00 1.00 C ATOM 329 CD1 TRP A 24 44.505 -18.938 -7.392 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.736 -18.787 -7.640 1.00 1.00 C ATOM 331 NE1 TRP A 24 44.880 -19.523 -8.588 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.245 -19.455 -8.786 1.00 1.00 C ATOM 333 CE3 TRP A 24 48.122 -18.563 -7.546 1.00 1.00 C ATOM 334 CZ2 TRP A 24 47.097 -19.886 -9.803 1.00 1.00 C ATOM 335 CZ3 TRP A 24 48.982 -18.995 -8.569 1.00 1.00 C ATOM 336 CH2 TRP A 24 48.471 -19.655 -9.694 1.00 1.00 C ATOM 0 H TRP A 24 46.872 -17.397 -3.366 1.00 1.00 H new ATOM 0 HA TRP A 24 44.629 -18.951 -3.946 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.740 -17.132 -5.358 1.00 1.00 H new ATOM 0 HB3 TRP A 24 46.492 -17.118 -5.377 1.00 1.00 H new ATOM 0 HD1 TRP A 24 43.495 -18.868 -7.016 1.00 1.00 H new ATOM 0 HE1 TRP A 24 44.228 -19.952 -9.244 1.00 1.00 H new ATOM 0 HE3 TRP A 24 48.527 -18.056 -6.682 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 46.698 -20.394 -10.668 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 50.044 -18.817 -8.488 1.00 1.00 H new ATOM 0 HH2 TRP A 24 49.138 -19.985 -10.476 1.00 1.00 H new ATOM 347 N LYS A 25 47.469 -20.188 -5.113 1.00 1.00 N ATOM 348 CA LYS A 25 48.084 -21.406 -5.629 1.00 1.00 C ATOM 349 C LYS A 25 47.784 -22.588 -4.713 1.00 1.00 C ATOM 350 O LYS A 25 47.872 -23.744 -5.129 1.00 1.00 O ATOM 351 CB LYS A 25 49.596 -21.217 -5.743 1.00 1.00 C ATOM 352 CG LYS A 25 50.215 -22.443 -6.418 1.00 1.00 C ATOM 353 CD LYS A 25 51.703 -22.192 -6.668 1.00 1.00 C ATOM 354 CE LYS A 25 52.302 -23.380 -7.424 1.00 1.00 C ATOM 355 NZ LYS A 25 51.634 -23.515 -8.749 1.00 1.00 N ATOM 0 H LYS A 25 48.116 -19.412 -4.971 1.00 1.00 H new ATOM 0 HA LYS A 25 47.668 -21.612 -6.615 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.818 -20.320 -6.321 1.00 1.00 H new ATOM 0 HB3 LYS A 25 50.031 -21.075 -4.754 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.085 -23.323 -5.788 1.00 1.00 H new ATOM 0 HG3 LYS A 25 49.707 -22.648 -7.360 1.00 1.00 H new ATOM 0 HD2 LYS A 25 51.836 -21.276 -7.244 1.00 1.00 H new ATOM 0 HD3 LYS A 25 52.223 -22.051 -5.720 1.00 1.00 H new ATOM 0 HE2 LYS A 25 53.374 -23.236 -7.559 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.174 -24.295 -6.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 52.252 -24.044 -9.397 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.735 -24.025 -8.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 51.448 -22.570 -9.142 1.00 1.00 H new ATOM 369 N SER A 26 47.430 -22.291 -3.467 1.00 1.00 N ATOM 370 CA SER A 26 47.122 -23.339 -2.502 1.00 1.00 C ATOM 371 C SER A 26 45.617 -23.584 -2.435 1.00 1.00 C ATOM 372 O SER A 26 45.162 -24.726 -2.501 1.00 1.00 O ATOM 373 CB SER A 26 47.638 -22.941 -1.118 1.00 1.00 C ATOM 374 OG SER A 26 49.059 -22.952 -1.126 1.00 1.00 O ATOM 0 H SER A 26 47.350 -21.341 -3.104 1.00 1.00 H new ATOM 0 HA SER A 26 47.613 -24.258 -2.824 1.00 1.00 H new ATOM 0 HB2 SER A 26 47.272 -21.949 -0.852 1.00 1.00 H new ATOM 0 HB3 SER A 26 47.262 -23.632 -0.364 1.00 1.00 H new ATOM 0 HG SER A 26 49.393 -22.696 -0.241 1.00 1.00 H new ATOM 380 N SER A 27 44.853 -22.504 -2.301 1.00 1.00 N ATOM 381 CA SER A 27 43.399 -22.614 -2.224 1.00 1.00 C ATOM 382 C SER A 27 42.757 -22.204 -3.545 1.00 1.00 C ATOM 383 O SER A 27 41.650 -21.666 -3.569 1.00 1.00 O ATOM 384 CB SER A 27 42.868 -21.724 -1.100 1.00 1.00 C ATOM 385 OG SER A 27 43.873 -21.571 -0.108 1.00 1.00 O ATOM 0 H SER A 27 45.212 -21.551 -2.244 1.00 1.00 H new ATOM 0 HA SER A 27 43.144 -23.653 -2.018 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.581 -20.750 -1.497 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.973 -22.166 -0.662 1.00 1.00 H new ATOM 0 HG SER A 27 43.536 -20.999 0.613 1.00 1.00 H new ATOM 391 N GLY A 28 43.460 -22.462 -4.643 1.00 1.00 N ATOM 392 CA GLY A 28 42.948 -22.116 -5.964 1.00 1.00 C ATOM 393 C GLY A 28 43.250 -23.222 -6.969 1.00 1.00 C ATOM 394 O GLY A 28 43.116 -23.028 -8.178 1.00 1.00 O ATOM 0 H GLY A 28 44.378 -22.906 -4.645 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.872 -21.951 -5.910 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.397 -21.181 -6.300 1.00 1.00 H new ATOM 398 N ALA A 29 43.660 -24.381 -6.458 1.00 1.00 N ATOM 399 CA ALA A 29 43.983 -25.518 -7.314 1.00 1.00 C ATOM 400 C ALA A 29 42.997 -26.659 -7.087 1.00 1.00 C ATOM 401 O ALA A 29 42.881 -27.562 -7.917 1.00 1.00 O ATOM 402 CB ALA A 29 45.402 -26.005 -7.020 1.00 1.00 C ATOM 0 H ALA A 29 43.776 -24.556 -5.460 1.00 1.00 H new ATOM 0 HA ALA A 29 43.915 -25.196 -8.353 1.00 1.00 H new ATOM 0 HB1 ALA A 29 45.636 -26.854 -7.663 1.00 1.00 H new ATOM 0 HB2 ALA A 29 46.110 -25.199 -7.211 1.00 1.00 H new ATOM 0 HB3 ALA A 29 45.473 -26.310 -5.976 1.00 1.00 H new ATOM 408 N LEU A 30 42.295 -26.612 -5.959 1.00 1.00 N ATOM 409 CA LEU A 30 41.324 -27.652 -5.628 1.00 1.00 C ATOM 410 C LEU A 30 39.983 -27.042 -5.223 1.00 1.00 C ATOM 411 O LEU A 30 38.963 -27.730 -5.200 1.00 1.00 O ATOM 412 CB LEU A 30 41.863 -28.517 -4.488 1.00 1.00 C ATOM 413 CG LEU A 30 42.530 -27.625 -3.440 1.00 1.00 C ATOM 414 CD1 LEU A 30 42.247 -28.178 -2.042 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.041 -27.602 -3.680 1.00 1.00 C ATOM 0 H LEU A 30 42.378 -25.871 -5.263 1.00 1.00 H new ATOM 0 HA LEU A 30 41.166 -28.268 -6.513 1.00 1.00 H new ATOM 0 HB2 LEU A 30 41.051 -29.085 -4.034 1.00 1.00 H new ATOM 0 HB3 LEU A 30 42.581 -29.240 -4.875 1.00 1.00 H new ATOM 0 HG LEU A 30 42.131 -26.614 -3.518 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.723 -27.542 -1.296 1.00 1.00 H new ATOM 0 HD12 LEU A 30 41.171 -28.197 -1.869 1.00 1.00 H new ATOM 0 HD13 LEU A 30 42.645 -29.190 -1.963 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.518 -26.967 -2.934 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.437 -28.614 -3.602 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.245 -27.209 -4.676 1.00 1.00 H new ATOM 427 N ILE A 31 39.987 -25.750 -4.908 1.00 1.00 N ATOM 428 CA ILE A 31 38.760 -25.069 -4.510 1.00 1.00 C ATOM 429 C ILE A 31 37.910 -24.683 -5.727 1.00 1.00 C ATOM 430 O ILE A 31 36.680 -24.695 -5.647 1.00 1.00 O ATOM 431 CB ILE A 31 39.086 -23.815 -3.692 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.209 -24.130 -2.698 1.00 1.00 C ATOM 433 CG2 ILE A 31 37.839 -23.365 -2.927 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.871 -25.405 -1.922 1.00 1.00 C ATOM 0 H ILE A 31 40.818 -25.159 -4.920 1.00 1.00 H new ATOM 0 HA ILE A 31 38.185 -25.763 -3.897 1.00 1.00 H new ATOM 0 HB ILE A 31 39.408 -23.018 -4.363 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.153 -24.256 -3.229 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.340 -23.297 -2.007 1.00 1.00 H new ATOM 0 HG21 ILE A 31 38.071 -22.473 -2.345 1.00 1.00 H new ATOM 0 HG22 ILE A 31 37.040 -23.140 -3.634 1.00 1.00 H new ATOM 0 HG23 ILE A 31 37.516 -24.162 -2.257 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.672 -25.625 -1.217 1.00 1.00 H new ATOM 0 HD12 ILE A 31 38.937 -25.263 -1.378 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.762 -26.237 -2.618 1.00 1.00 H new ATOM 446 N PRO A 32 38.516 -24.342 -6.843 1.00 1.00 N ATOM 447 CA PRO A 32 37.758 -23.951 -8.069 1.00 1.00 C ATOM 448 C PRO A 32 36.844 -25.071 -8.559 1.00 1.00 C ATOM 449 O PRO A 32 35.801 -24.816 -9.159 1.00 1.00 O ATOM 450 CB PRO A 32 38.843 -23.644 -9.109 1.00 1.00 C ATOM 451 CG PRO A 32 40.104 -23.450 -8.338 1.00 1.00 C ATOM 452 CD PRO A 32 39.970 -24.289 -7.070 1.00 1.00 C ATOM 0 HA PRO A 32 37.101 -23.102 -7.879 1.00 1.00 H new ATOM 0 HB2 PRO A 32 38.943 -24.462 -9.822 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.594 -22.751 -9.682 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.968 -23.765 -8.922 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.251 -22.398 -8.093 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.392 -25.285 -7.202 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.491 -23.831 -6.229 1.00 1.00 H new ATOM 460 N ALA A 33 37.245 -26.311 -8.299 1.00 1.00 N ATOM 461 CA ALA A 33 36.453 -27.462 -8.720 1.00 1.00 C ATOM 462 C ALA A 33 35.027 -27.356 -8.191 1.00 1.00 C ATOM 463 O ALA A 33 34.088 -27.131 -8.954 1.00 1.00 O ATOM 464 CB ALA A 33 37.096 -28.753 -8.207 1.00 1.00 C ATOM 0 H ALA A 33 38.106 -26.544 -7.803 1.00 1.00 H new ATOM 0 HA ALA A 33 36.422 -27.479 -9.809 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.499 -29.608 -8.525 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.104 -28.843 -8.612 1.00 1.00 H new ATOM 0 HB3 ALA A 33 37.143 -28.728 -7.118 1.00 1.00 H new ATOM 470 N ILE A 34 34.872 -27.520 -6.882 1.00 1.00 N ATOM 471 CA ILE A 34 33.554 -27.441 -6.264 1.00 1.00 C ATOM 472 C ILE A 34 32.820 -26.190 -6.733 1.00 1.00 C ATOM 473 O ILE A 34 31.630 -26.236 -7.045 1.00 1.00 O ATOM 474 CB ILE A 34 33.695 -27.421 -4.738 1.00 1.00 C ATOM 475 CG1 ILE A 34 33.812 -28.860 -4.220 1.00 1.00 C ATOM 476 CG2 ILE A 34 32.475 -26.740 -4.107 1.00 1.00 C ATOM 477 CD1 ILE A 34 32.419 -29.445 -3.963 1.00 1.00 C ATOM 0 H ILE A 34 35.636 -27.707 -6.233 1.00 1.00 H new ATOM 0 HA ILE A 34 32.976 -28.316 -6.561 1.00 1.00 H new ATOM 0 HB ILE A 34 34.590 -26.862 -4.466 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.344 -29.474 -4.947 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.397 -28.877 -3.300 1.00 1.00 H new ATOM 0 HG21 ILE A 34 32.584 -26.730 -3.023 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.400 -25.716 -4.473 1.00 1.00 H new ATOM 0 HG23 ILE A 34 31.572 -27.289 -4.376 1.00 1.00 H new ATOM 0 HD11 ILE A 34 32.516 -30.467 -3.596 1.00 1.00 H new ATOM 0 HD12 ILE A 34 31.902 -28.839 -3.219 1.00 1.00 H new ATOM 0 HD13 ILE A 34 31.848 -29.446 -4.891 1.00 1.00 H new ATOM 489 N TYR A 35 33.537 -25.073 -6.782 1.00 1.00 N ATOM 490 CA TYR A 35 32.944 -23.816 -7.216 1.00 1.00 C ATOM 491 C TYR A 35 32.377 -23.949 -8.626 1.00 1.00 C ATOM 492 O TYR A 35 31.175 -23.792 -8.841 1.00 1.00 O ATOM 493 CB TYR A 35 33.995 -22.705 -7.189 1.00 1.00 C ATOM 494 CG TYR A 35 33.718 -21.779 -6.029 1.00 1.00 C ATOM 495 CD1 TYR A 35 34.193 -22.097 -4.751 1.00 1.00 C ATOM 496 CD2 TYR A 35 32.984 -20.604 -6.232 1.00 1.00 C ATOM 497 CE1 TYR A 35 33.933 -21.239 -3.675 1.00 1.00 C ATOM 498 CE2 TYR A 35 32.725 -19.747 -5.156 1.00 1.00 C ATOM 499 CZ TYR A 35 33.199 -20.064 -3.877 1.00 1.00 C ATOM 500 OH TYR A 35 32.944 -19.218 -2.817 1.00 1.00 O ATOM 0 H TYR A 35 34.523 -25.013 -6.528 1.00 1.00 H new ATOM 0 HA TYR A 35 32.133 -23.564 -6.533 1.00 1.00 H new ATOM 0 HB2 TYR A 35 34.992 -23.135 -7.095 1.00 1.00 H new ATOM 0 HB3 TYR A 35 33.975 -22.148 -8.126 1.00 1.00 H new ATOM 0 HD1 TYR A 35 34.759 -23.003 -4.595 1.00 1.00 H new ATOM 0 HD2 TYR A 35 32.618 -20.359 -7.218 1.00 1.00 H new ATOM 0 HE1 TYR A 35 34.299 -21.484 -2.689 1.00 1.00 H new ATOM 0 HE2 TYR A 35 32.159 -18.841 -5.312 1.00 1.00 H new ATOM 0 HH TYR A 35 32.424 -18.449 -3.130 1.00 1.00 H new ATOM 510 N MET A 36 33.251 -24.243 -9.583 1.00 1.00 N ATOM 511 CA MET A 36 32.826 -24.397 -10.969 1.00 1.00 C ATOM 512 C MET A 36 31.724 -25.446 -11.078 1.00 1.00 C ATOM 513 O MET A 36 30.627 -25.160 -11.557 1.00 1.00 O ATOM 514 CB MET A 36 34.016 -24.814 -11.838 1.00 1.00 C ATOM 515 CG MET A 36 34.620 -23.577 -12.504 1.00 1.00 C ATOM 516 SD MET A 36 34.874 -22.286 -11.262 1.00 1.00 S ATOM 517 CE MET A 36 33.912 -20.991 -12.082 1.00 1.00 C ATOM 0 H MET A 36 34.250 -24.378 -9.426 1.00 1.00 H new ATOM 0 HA MET A 36 32.438 -23.440 -11.318 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.768 -25.315 -11.228 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.694 -25.528 -12.596 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.568 -23.832 -12.978 1.00 1.00 H new ATOM 0 HG3 MET A 36 33.958 -23.215 -13.291 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.933 -20.084 -11.477 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.342 -20.784 -13.062 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.881 -21.324 -12.201 1.00 1.00 H new ATOM 527 N LEU A 37 32.023 -26.660 -10.628 1.00 1.00 N ATOM 528 CA LEU A 37 31.050 -27.744 -10.678 1.00 1.00 C ATOM 529 C LEU A 37 29.696 -27.267 -10.167 1.00 1.00 C ATOM 530 O LEU A 37 28.650 -27.716 -10.636 1.00 1.00 O ATOM 531 CB LEU A 37 31.533 -28.920 -9.829 1.00 1.00 C ATOM 532 CG LEU A 37 30.705 -30.164 -10.160 1.00 1.00 C ATOM 533 CD1 LEU A 37 31.433 -30.992 -11.221 1.00 1.00 C ATOM 534 CD2 LEU A 37 30.521 -31.004 -8.895 1.00 1.00 C ATOM 0 H LEU A 37 32.925 -26.917 -10.227 1.00 1.00 H new ATOM 0 HA LEU A 37 30.944 -28.066 -11.714 1.00 1.00 H new ATOM 0 HB2 LEU A 37 32.589 -29.111 -10.021 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.440 -28.680 -8.770 1.00 1.00 H new ATOM 0 HG LEU A 37 29.729 -29.862 -10.541 1.00 1.00 H new ATOM 0 HD11 LEU A 37 30.844 -31.878 -11.458 1.00 1.00 H new ATOM 0 HD12 LEU A 37 31.566 -30.393 -12.122 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.408 -31.295 -10.840 1.00 1.00 H new ATOM 0 HD21 LEU A 37 29.931 -31.890 -9.129 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.496 -31.307 -8.514 1.00 1.00 H new ATOM 0 HD23 LEU A 37 30.004 -30.414 -8.138 1.00 1.00 H new ATOM 546 N VAL A 38 29.722 -26.354 -9.202 1.00 1.00 N ATOM 547 CA VAL A 38 28.490 -25.821 -8.632 1.00 1.00 C ATOM 548 C VAL A 38 28.076 -24.541 -9.353 1.00 1.00 C ATOM 549 O VAL A 38 26.954 -24.060 -9.188 1.00 1.00 O ATOM 550 CB VAL A 38 28.685 -25.530 -7.144 1.00 1.00 C ATOM 551 CG1 VAL A 38 27.446 -24.820 -6.595 1.00 1.00 C ATOM 552 CG2 VAL A 38 28.892 -26.845 -6.391 1.00 1.00 C ATOM 0 H VAL A 38 30.577 -25.970 -8.800 1.00 1.00 H new ATOM 0 HA VAL A 38 27.703 -26.565 -8.756 1.00 1.00 H new ATOM 0 HB VAL A 38 29.558 -24.892 -7.011 1.00 1.00 H new ATOM 0 HG11 VAL A 38 27.586 -24.613 -5.534 1.00 1.00 H new ATOM 0 HG12 VAL A 38 27.296 -23.883 -7.131 1.00 1.00 H new ATOM 0 HG13 VAL A 38 26.572 -25.458 -6.728 1.00 1.00 H new ATOM 0 HG21 VAL A 38 29.031 -26.639 -5.330 1.00 1.00 H new ATOM 0 HG22 VAL A 38 28.018 -27.483 -6.525 1.00 1.00 H new ATOM 0 HG23 VAL A 38 29.774 -27.352 -6.781 1.00 1.00 H new ATOM 562 N PHE A 39 28.986 -23.997 -10.152 1.00 1.00 N ATOM 563 CA PHE A 39 28.702 -22.772 -10.892 1.00 1.00 C ATOM 564 C PHE A 39 27.895 -23.080 -12.149 1.00 1.00 C ATOM 565 O PHE A 39 26.868 -22.451 -12.408 1.00 1.00 O ATOM 566 CB PHE A 39 30.010 -22.081 -11.282 1.00 1.00 C ATOM 567 CG PHE A 39 29.738 -20.633 -11.610 1.00 1.00 C ATOM 568 CD1 PHE A 39 29.432 -19.729 -10.585 1.00 1.00 C ATOM 569 CD2 PHE A 39 29.790 -20.193 -12.938 1.00 1.00 C ATOM 570 CE1 PHE A 39 29.179 -18.386 -10.887 1.00 1.00 C ATOM 571 CE2 PHE A 39 29.537 -18.850 -13.241 1.00 1.00 C ATOM 572 CZ PHE A 39 29.232 -17.946 -12.216 1.00 1.00 C ATOM 0 H PHE A 39 29.919 -24.380 -10.304 1.00 1.00 H new ATOM 0 HA PHE A 39 28.119 -22.111 -10.251 1.00 1.00 H new ATOM 0 HB2 PHE A 39 30.728 -22.151 -10.465 1.00 1.00 H new ATOM 0 HB3 PHE A 39 30.456 -22.582 -12.141 1.00 1.00 H new ATOM 0 HD1 PHE A 39 29.391 -20.069 -9.561 1.00 1.00 H new ATOM 0 HD2 PHE A 39 30.025 -20.890 -13.729 1.00 1.00 H new ATOM 0 HE1 PHE A 39 28.943 -17.689 -10.096 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.577 -18.511 -14.266 1.00 1.00 H new ATOM 0 HZ PHE A 39 29.038 -16.910 -12.450 1.00 1.00 H new ATOM 582 N LEU A 40 28.364 -24.049 -12.928 1.00 1.00 N ATOM 583 CA LEU A 40 27.675 -24.428 -14.156 1.00 1.00 C ATOM 584 C LEU A 40 26.466 -25.308 -13.847 1.00 1.00 C ATOM 585 O LEU A 40 25.721 -25.690 -14.749 1.00 1.00 O ATOM 586 CB LEU A 40 28.630 -25.176 -15.091 1.00 1.00 C ATOM 587 CG LEU A 40 29.419 -26.222 -14.302 1.00 1.00 C ATOM 588 CD1 LEU A 40 29.350 -27.568 -15.026 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.881 -25.781 -14.192 1.00 1.00 C ATOM 0 H LEU A 40 29.211 -24.582 -12.733 1.00 1.00 H new ATOM 0 HA LEU A 40 27.331 -23.518 -14.647 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.067 -25.659 -15.890 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.315 -24.472 -15.564 1.00 1.00 H new ATOM 0 HG LEU A 40 28.991 -26.322 -13.305 1.00 1.00 H new ATOM 0 HD11 LEU A 40 29.912 -28.313 -14.463 1.00 1.00 H new ATOM 0 HD12 LEU A 40 28.310 -27.884 -15.108 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.778 -27.467 -16.023 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.444 -26.526 -13.630 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.307 -25.681 -15.190 1.00 1.00 H new ATOM 0 HD23 LEU A 40 30.934 -24.822 -13.677 1.00 1.00 H new ATOM 601 N LEU A 41 26.278 -25.620 -12.567 1.00 1.00 N ATOM 602 CA LEU A 41 25.154 -26.453 -12.143 1.00 1.00 C ATOM 603 C LEU A 41 24.341 -25.744 -11.065 1.00 1.00 C ATOM 604 O LEU A 41 23.350 -26.281 -10.569 1.00 1.00 O ATOM 605 CB LEU A 41 25.666 -27.789 -11.596 1.00 1.00 C ATOM 606 CG LEU A 41 26.467 -28.521 -12.678 1.00 1.00 C ATOM 607 CD1 LEU A 41 27.037 -29.817 -12.099 1.00 1.00 C ATOM 608 CD2 LEU A 41 25.557 -28.855 -13.866 1.00 1.00 C ATOM 0 H LEU A 41 26.886 -25.311 -11.808 1.00 1.00 H new ATOM 0 HA LEU A 41 24.517 -26.635 -13.008 1.00 1.00 H new ATOM 0 HB2 LEU A 41 26.292 -27.618 -10.720 1.00 1.00 H new ATOM 0 HB3 LEU A 41 24.827 -28.405 -11.272 1.00 1.00 H new ATOM 0 HG LEU A 41 27.280 -27.879 -13.017 1.00 1.00 H new ATOM 0 HD11 LEU A 41 27.607 -30.339 -12.867 1.00 1.00 H new ATOM 0 HD12 LEU A 41 27.690 -29.584 -11.258 1.00 1.00 H new ATOM 0 HD13 LEU A 41 26.220 -30.453 -11.758 1.00 1.00 H new ATOM 0 HD21 LEU A 41 26.134 -29.375 -14.631 1.00 1.00 H new ATOM 0 HD22 LEU A 41 24.740 -29.494 -13.530 1.00 1.00 H new ATOM 0 HD23 LEU A 41 25.150 -27.934 -14.283 1.00 1.00 H new ATOM 620 N GLY A 42 24.769 -24.537 -10.706 1.00 1.00 N ATOM 621 CA GLY A 42 24.073 -23.762 -9.685 1.00 1.00 C ATOM 622 C GLY A 42 23.890 -22.315 -10.128 1.00 1.00 C ATOM 623 O GLY A 42 23.455 -21.468 -9.348 1.00 1.00 O ATOM 0 H GLY A 42 25.588 -24.078 -11.104 1.00 1.00 H new ATOM 0 HA2 GLY A 42 23.100 -24.210 -9.483 1.00 1.00 H new ATOM 0 HA3 GLY A 42 24.637 -23.792 -8.753 1.00 1.00 H new ATOM 627 N THR A 43 24.225 -22.037 -11.384 1.00 1.00 N ATOM 628 CA THR A 43 24.092 -20.687 -11.918 1.00 1.00 C ATOM 629 C THR A 43 23.808 -20.726 -13.416 1.00 1.00 C ATOM 630 O THR A 43 23.994 -19.732 -14.117 1.00 1.00 O ATOM 631 CB THR A 43 25.373 -19.893 -11.658 1.00 1.00 C ATOM 632 OG1 THR A 43 25.894 -20.242 -10.384 1.00 1.00 O ATOM 633 CG2 THR A 43 25.064 -18.395 -11.693 1.00 1.00 C ATOM 0 H THR A 43 24.588 -22.723 -12.046 1.00 1.00 H new ATOM 0 HA THR A 43 23.256 -20.200 -11.416 1.00 1.00 H new ATOM 0 HB THR A 43 26.108 -20.127 -12.428 1.00 1.00 H new ATOM 0 HG1 THR A 43 26.868 -20.136 -10.389 1.00 1.00 H new ATOM 0 HG21 THR A 43 25.978 -17.831 -11.508 1.00 1.00 H new ATOM 0 HG22 THR A 43 24.665 -18.129 -12.672 1.00 1.00 H new ATOM 0 HG23 THR A 43 24.328 -18.157 -10.925 1.00 1.00 H new ATOM 641 N THR A 44 23.355 -21.881 -13.896 1.00 1.00 N ATOM 642 CA THR A 44 23.043 -22.046 -15.313 1.00 1.00 C ATOM 643 C THR A 44 21.639 -22.615 -15.480 1.00 1.00 C ATOM 644 O THR A 44 20.839 -22.100 -16.262 1.00 1.00 O ATOM 645 CB THR A 44 24.060 -22.985 -15.966 1.00 1.00 C ATOM 646 OG1 THR A 44 25.371 -22.606 -15.575 1.00 1.00 O ATOM 647 CG2 THR A 44 23.933 -22.897 -17.489 1.00 1.00 C ATOM 0 H THR A 44 23.196 -22.713 -13.328 1.00 1.00 H new ATOM 0 HA THR A 44 23.091 -21.071 -15.797 1.00 1.00 H new ATOM 0 HB THR A 44 23.868 -24.009 -15.646 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.021 -22.973 -16.210 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.657 -23.566 -17.954 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.926 -23.189 -17.788 1.00 1.00 H new ATOM 0 HG23 THR A 44 24.125 -21.874 -17.812 1.00 1.00 H new ATOM 655 N GLY A 45 21.348 -23.676 -14.736 1.00 1.00 N ATOM 656 CA GLY A 45 20.037 -24.311 -14.799 1.00 1.00 C ATOM 657 C GLY A 45 19.231 -24.007 -13.542 1.00 1.00 C ATOM 658 O GLY A 45 18.046 -24.331 -13.458 1.00 1.00 O ATOM 0 H GLY A 45 22.000 -24.113 -14.084 1.00 1.00 H new ATOM 0 HA2 GLY A 45 19.498 -23.957 -15.677 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.154 -25.389 -14.910 1.00 1.00 H new ATOM 662 N ASN A 46 19.885 -23.383 -12.567 1.00 1.00 N ATOM 663 CA ASN A 46 19.226 -23.037 -11.312 1.00 1.00 C ATOM 664 C ASN A 46 18.924 -21.543 -11.261 1.00 1.00 C ATOM 665 O ASN A 46 17.931 -21.120 -10.669 1.00 1.00 O ATOM 666 CB ASN A 46 20.119 -23.421 -10.132 1.00 1.00 C ATOM 667 CG ASN A 46 20.230 -24.939 -10.036 1.00 1.00 C ATOM 668 OD1 ASN A 46 21.047 -25.575 -10.830 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 19.553 -25.562 -9.217 1.00 1.00 N flip ATOM 0 H ASN A 46 20.866 -23.108 -12.621 1.00 1.00 H new ATOM 0 HA ASN A 46 18.287 -23.588 -11.251 1.00 1.00 H new ATOM 0 HB2 ASN A 46 21.109 -22.983 -10.257 1.00 1.00 H new ATOM 0 HB3 ASN A 46 19.706 -23.019 -9.207 1.00 1.00 H new ATOM 0 HD21 ASN A 46 18.915 -25.063 -8.597 1.00 1.00 H new ATOM 0 HD22 ASN A 46 19.630 -26.577 -9.158 1.00 1.00 H new ATOM 676 N GLY A 47 19.786 -20.748 -11.886 1.00 1.00 N ATOM 677 CA GLY A 47 19.601 -19.302 -11.905 1.00 1.00 C ATOM 678 C GLY A 47 18.588 -18.899 -12.970 1.00 1.00 C ATOM 679 O GLY A 47 17.677 -18.114 -12.710 1.00 1.00 O ATOM 0 H GLY A 47 20.614 -21.078 -12.383 1.00 1.00 H new ATOM 0 HA2 GLY A 47 19.262 -18.962 -10.927 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.555 -18.812 -12.100 1.00 1.00 H new ATOM 683 N LEU A 48 18.753 -19.445 -14.172 1.00 1.00 N ATOM 684 CA LEU A 48 17.845 -19.136 -15.270 1.00 1.00 C ATOM 685 C LEU A 48 16.411 -19.491 -14.889 1.00 1.00 C ATOM 686 O LEU A 48 15.496 -18.687 -15.063 1.00 1.00 O ATOM 687 CB LEU A 48 18.257 -19.919 -16.522 1.00 1.00 C ATOM 688 CG LEU A 48 17.404 -19.486 -17.723 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.673 -18.015 -18.060 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.761 -20.353 -18.932 1.00 1.00 C ATOM 0 H LEU A 48 19.500 -20.098 -14.408 1.00 1.00 H new ATOM 0 HA LEU A 48 17.899 -18.067 -15.478 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.312 -19.748 -16.736 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.136 -20.988 -16.347 1.00 1.00 H new ATOM 0 HG LEU A 48 16.350 -19.607 -17.474 1.00 1.00 H new ATOM 0 HD11 LEU A 48 17.062 -17.720 -18.913 1.00 1.00 H new ATOM 0 HD12 LEU A 48 17.421 -17.393 -17.201 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.727 -17.885 -18.306 1.00 1.00 H new ATOM 0 HD21 LEU A 48 17.158 -20.050 -19.788 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.817 -20.228 -19.170 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.562 -21.399 -18.701 1.00 1.00 H new ATOM 702 N VAL A 49 16.223 -20.700 -14.371 1.00 1.00 N ATOM 703 CA VAL A 49 14.897 -21.152 -13.970 1.00 1.00 C ATOM 704 C VAL A 49 14.337 -20.255 -12.870 1.00 1.00 C ATOM 705 O VAL A 49 13.391 -19.500 -13.092 1.00 1.00 O ATOM 706 CB VAL A 49 14.965 -22.595 -13.469 1.00 1.00 C ATOM 707 CG1 VAL A 49 13.735 -22.897 -12.612 1.00 1.00 C ATOM 708 CG2 VAL A 49 14.997 -23.548 -14.666 1.00 1.00 C ATOM 0 H VAL A 49 16.968 -21.381 -14.220 1.00 1.00 H new ATOM 0 HA VAL A 49 14.238 -21.101 -14.837 1.00 1.00 H new ATOM 0 HB VAL A 49 15.866 -22.729 -12.871 1.00 1.00 H new ATOM 0 HG11 VAL A 49 13.784 -23.926 -12.255 1.00 1.00 H new ATOM 0 HG12 VAL A 49 13.710 -22.218 -11.760 1.00 1.00 H new ATOM 0 HG13 VAL A 49 12.833 -22.763 -13.210 1.00 1.00 H new ATOM 0 HG21 VAL A 49 15.046 -24.577 -14.310 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.095 -23.412 -15.263 1.00 1.00 H new ATOM 0 HG23 VAL A 49 15.873 -23.334 -15.278 1.00 1.00 H new ATOM 718 N LEU A 50 14.928 -20.345 -11.683 1.00 1.00 N ATOM 719 CA LEU A 50 14.482 -19.537 -10.554 1.00 1.00 C ATOM 720 C LEU A 50 14.272 -18.088 -10.982 1.00 1.00 C ATOM 721 O LEU A 50 13.475 -17.364 -10.385 1.00 1.00 O ATOM 722 CB LEU A 50 15.521 -19.593 -9.430 1.00 1.00 C ATOM 723 CG LEU A 50 15.636 -21.026 -8.896 1.00 1.00 C ATOM 724 CD1 LEU A 50 16.767 -21.097 -7.870 1.00 1.00 C ATOM 725 CD2 LEU A 50 14.321 -21.449 -8.229 1.00 1.00 C ATOM 0 H LEU A 50 15.712 -20.965 -11.479 1.00 1.00 H new ATOM 0 HA LEU A 50 13.535 -19.939 -10.195 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.489 -19.255 -9.800 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.234 -18.917 -8.624 1.00 1.00 H new ATOM 0 HG LEU A 50 15.847 -21.698 -9.728 1.00 1.00 H new ATOM 0 HD11 LEU A 50 16.850 -22.115 -7.490 1.00 1.00 H new ATOM 0 HD12 LEU A 50 17.706 -20.809 -8.343 1.00 1.00 H new ATOM 0 HD13 LEU A 50 16.553 -20.418 -7.045 1.00 1.00 H new ATOM 0 HD21 LEU A 50 14.415 -22.468 -7.854 1.00 1.00 H new ATOM 0 HD22 LEU A 50 14.100 -20.776 -7.400 1.00 1.00 H new ATOM 0 HD23 LEU A 50 13.512 -21.404 -8.958 1.00 1.00 H new ATOM 737 N TRP A 51 14.993 -17.671 -12.016 1.00 1.00 N ATOM 738 CA TRP A 51 14.878 -16.306 -12.515 1.00 1.00 C ATOM 739 C TRP A 51 13.663 -16.168 -13.427 1.00 1.00 C ATOM 740 O TRP A 51 12.865 -15.243 -13.278 1.00 1.00 O ATOM 741 CB TRP A 51 16.143 -15.924 -13.284 1.00 1.00 C ATOM 742 CG TRP A 51 15.944 -14.597 -13.941 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.262 -13.402 -13.391 1.00 1.00 C ATOM 744 CD2 TRP A 51 15.386 -14.307 -15.256 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.935 -12.398 -14.285 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.393 -12.905 -15.449 1.00 1.00 C ATOM 747 CE3 TRP A 51 14.881 -15.117 -16.289 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.914 -12.327 -16.625 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.398 -14.538 -17.475 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.415 -13.145 -17.642 1.00 1.00 C ATOM 0 H TRP A 51 15.659 -18.254 -12.522 1.00 1.00 H new ATOM 0 HA TRP A 51 14.755 -15.637 -11.663 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.995 -15.882 -12.606 1.00 1.00 H new ATOM 0 HB3 TRP A 51 16.369 -16.683 -14.033 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.699 -13.256 -12.414 1.00 1.00 H new ATOM 0 HE1 TRP A 51 16.077 -11.404 -14.106 1.00 1.00 H new ATOM 0 HE3 TRP A 51 14.864 -16.190 -16.170 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.929 -11.254 -16.748 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.012 -15.169 -18.262 1.00 1.00 H new ATOM 0 HH2 TRP A 51 14.043 -12.705 -18.556 1.00 1.00 H new ATOM 761 N THR A 52 13.530 -17.094 -14.371 1.00 1.00 N ATOM 762 CA THR A 52 12.408 -17.065 -15.301 1.00 1.00 C ATOM 763 C THR A 52 11.096 -17.303 -14.563 1.00 1.00 C ATOM 764 O THR A 52 10.100 -16.623 -14.808 1.00 1.00 O ATOM 765 CB THR A 52 12.596 -18.138 -16.376 1.00 1.00 C ATOM 766 OG1 THR A 52 13.466 -17.648 -17.386 1.00 1.00 O ATOM 767 CG2 THR A 52 11.242 -18.490 -16.994 1.00 1.00 C ATOM 0 H THR A 52 14.180 -17.868 -14.511 1.00 1.00 H new ATOM 0 HA THR A 52 12.372 -16.082 -15.771 1.00 1.00 H new ATOM 0 HB THR A 52 13.029 -19.031 -15.924 1.00 1.00 H new ATOM 0 HG1 THR A 52 13.602 -16.685 -17.262 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.379 -19.254 -17.759 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.575 -18.868 -16.219 1.00 1.00 H new ATOM 0 HG23 THR A 52 10.805 -17.599 -17.445 1.00 1.00 H new ATOM 775 N VAL A 53 11.101 -18.276 -13.657 1.00 1.00 N ATOM 776 CA VAL A 53 9.906 -18.599 -12.888 1.00 1.00 C ATOM 777 C VAL A 53 9.433 -17.385 -12.095 1.00 1.00 C ATOM 778 O VAL A 53 8.247 -17.056 -12.094 1.00 1.00 O ATOM 779 CB VAL A 53 10.197 -19.755 -11.931 1.00 1.00 C ATOM 780 CG1 VAL A 53 9.130 -19.792 -10.835 1.00 1.00 C ATOM 781 CG2 VAL A 53 10.176 -21.075 -12.705 1.00 1.00 C ATOM 0 H VAL A 53 11.915 -18.851 -13.439 1.00 1.00 H new ATOM 0 HA VAL A 53 9.119 -18.893 -13.583 1.00 1.00 H new ATOM 0 HB VAL A 53 11.178 -19.613 -11.479 1.00 1.00 H new ATOM 0 HG11 VAL A 53 9.338 -20.616 -10.153 1.00 1.00 H new ATOM 0 HG12 VAL A 53 9.143 -18.852 -10.283 1.00 1.00 H new ATOM 0 HG13 VAL A 53 8.149 -19.934 -11.287 1.00 1.00 H new ATOM 0 HG21 VAL A 53 10.383 -21.900 -12.023 1.00 1.00 H new ATOM 0 HG22 VAL A 53 9.194 -21.216 -13.157 1.00 1.00 H new ATOM 0 HG23 VAL A 53 10.935 -21.051 -13.487 1.00 1.00 H new ATOM 791 N PHE A 54 10.368 -16.725 -11.421 1.00 1.00 N ATOM 792 CA PHE A 54 10.036 -15.550 -10.625 1.00 1.00 C ATOM 793 C PHE A 54 9.381 -14.481 -11.494 1.00 1.00 C ATOM 794 O PHE A 54 8.789 -13.531 -10.981 1.00 1.00 O ATOM 795 CB PHE A 54 11.302 -14.982 -9.981 1.00 1.00 C ATOM 796 CG PHE A 54 11.379 -15.429 -8.541 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.158 -16.772 -8.212 1.00 1.00 C ATOM 798 CD2 PHE A 54 11.671 -14.502 -7.533 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.229 -17.187 -6.877 1.00 1.00 C ATOM 800 CE2 PHE A 54 11.741 -14.917 -6.198 1.00 1.00 C ATOM 801 CZ PHE A 54 11.519 -16.260 -5.870 1.00 1.00 C ATOM 0 H PHE A 54 11.355 -16.981 -11.410 1.00 1.00 H new ATOM 0 HA PHE A 54 9.334 -15.848 -9.846 1.00 1.00 H new ATOM 0 HB2 PHE A 54 12.183 -15.321 -10.526 1.00 1.00 H new ATOM 0 HB3 PHE A 54 11.293 -13.893 -10.035 1.00 1.00 H new ATOM 0 HD1 PHE A 54 10.933 -17.488 -8.989 1.00 1.00 H new ATOM 0 HD2 PHE A 54 11.842 -13.466 -7.786 1.00 1.00 H new ATOM 0 HE1 PHE A 54 11.060 -18.223 -6.624 1.00 1.00 H new ATOM 0 HE2 PHE A 54 11.966 -14.201 -5.421 1.00 1.00 H new ATOM 0 HZ PHE A 54 11.572 -16.580 -4.840 1.00 1.00 H new ATOM 811 N ARG A 55 9.493 -14.643 -12.810 1.00 1.00 N ATOM 812 CA ARG A 55 8.910 -13.685 -13.746 1.00 1.00 C ATOM 813 C ARG A 55 7.730 -14.302 -14.492 1.00 1.00 C ATOM 814 O ARG A 55 7.154 -13.672 -15.379 1.00 1.00 O ATOM 815 CB ARG A 55 9.972 -13.232 -14.751 1.00 1.00 C ATOM 816 CG ARG A 55 10.720 -12.013 -14.200 1.00 1.00 C ATOM 817 CD ARG A 55 12.148 -11.998 -14.744 1.00 1.00 C ATOM 818 NE ARG A 55 13.024 -12.774 -13.874 1.00 1.00 N ATOM 819 CZ ARG A 55 13.309 -12.362 -12.643 1.00 1.00 C ATOM 820 NH1 ARG A 55 12.815 -11.239 -12.200 1.00 1.00 N ATOM 821 NH2 ARG A 55 14.084 -13.081 -11.879 1.00 1.00 N ATOM 0 H ARG A 55 9.979 -15.424 -13.251 1.00 1.00 H new ATOM 0 HA ARG A 55 8.551 -12.826 -13.179 1.00 1.00 H new ATOM 0 HB2 ARG A 55 10.673 -14.044 -14.944 1.00 1.00 H new ATOM 0 HB3 ARG A 55 9.503 -12.983 -15.703 1.00 1.00 H new ATOM 0 HG2 ARG A 55 10.202 -11.097 -14.484 1.00 1.00 H new ATOM 0 HG3 ARG A 55 10.736 -12.045 -13.111 1.00 1.00 H new ATOM 0 HD2 ARG A 55 12.166 -12.411 -15.753 1.00 1.00 H new ATOM 0 HD3 ARG A 55 12.508 -10.972 -14.814 1.00 1.00 H new ATOM 0 HE ARG A 55 13.425 -13.647 -14.216 1.00 1.00 H new ATOM 0 HH11 ARG A 55 12.210 -10.677 -12.798 1.00 1.00 H new ATOM 0 HH12 ARG A 55 13.034 -10.923 -11.255 1.00 1.00 H new ATOM 0 HH21 ARG A 55 14.471 -13.959 -12.226 1.00 1.00 H new ATOM 0 HH22 ARG A 55 14.303 -12.766 -10.934 1.00 1.00 H new ATOM 835 N LYS A 56 7.375 -15.533 -14.126 1.00 1.00 N ATOM 836 CA LYS A 56 6.258 -16.225 -14.765 1.00 1.00 C ATOM 837 C LYS A 56 5.187 -16.571 -13.736 1.00 1.00 C ATOM 838 O LYS A 56 4.006 -16.677 -14.066 1.00 1.00 O ATOM 839 CB LYS A 56 6.766 -17.495 -15.470 1.00 1.00 C ATOM 840 CG LYS A 56 6.476 -18.746 -14.623 1.00 1.00 C ATOM 841 CD LYS A 56 7.217 -19.961 -15.204 1.00 1.00 C ATOM 842 CE LYS A 56 6.401 -20.559 -16.352 1.00 1.00 C ATOM 843 NZ LYS A 56 7.116 -21.744 -16.903 1.00 1.00 N ATOM 0 H LYS A 56 7.842 -16.069 -13.394 1.00 1.00 H new ATOM 0 HA LYS A 56 5.811 -15.566 -15.510 1.00 1.00 H new ATOM 0 HB2 LYS A 56 6.287 -17.591 -16.444 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.838 -17.412 -15.649 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.789 -18.578 -13.593 1.00 1.00 H new ATOM 0 HG3 LYS A 56 5.404 -18.940 -14.602 1.00 1.00 H new ATOM 0 HD2 LYS A 56 8.202 -19.662 -15.562 1.00 1.00 H new ATOM 0 HD3 LYS A 56 7.374 -20.710 -14.427 1.00 1.00 H new ATOM 0 HE2 LYS A 56 5.412 -20.850 -15.997 1.00 1.00 H new ATOM 0 HE3 LYS A 56 6.253 -19.814 -17.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 6.562 -22.152 -17.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 8.050 -21.453 -17.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 7.236 -22.456 -16.155 1.00 1.00 H new ATOM 857 N LYS A 57 5.608 -16.748 -12.488 1.00 1.00 N ATOM 858 CA LYS A 57 4.677 -17.083 -11.416 1.00 1.00 C ATOM 859 C LYS A 57 4.283 -15.832 -10.637 1.00 1.00 C ATOM 860 O LYS A 57 3.136 -15.689 -10.213 1.00 1.00 O ATOM 861 CB LYS A 57 5.317 -18.099 -10.468 1.00 1.00 C ATOM 862 CG LYS A 57 4.298 -18.522 -9.407 1.00 1.00 C ATOM 863 CD LYS A 57 4.801 -18.106 -8.023 1.00 1.00 C ATOM 864 CE LYS A 57 6.067 -18.894 -7.681 1.00 1.00 C ATOM 865 NZ LYS A 57 7.177 -17.946 -7.380 1.00 1.00 N ATOM 0 H LYS A 57 6.581 -16.666 -12.195 1.00 1.00 H new ATOM 0 HA LYS A 57 3.781 -17.516 -11.860 1.00 1.00 H new ATOM 0 HB2 LYS A 57 5.657 -18.970 -11.028 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.195 -17.664 -9.991 1.00 1.00 H new ATOM 0 HG2 LYS A 57 3.332 -18.058 -9.609 1.00 1.00 H new ATOM 0 HG3 LYS A 57 4.147 -19.601 -9.442 1.00 1.00 H new ATOM 0 HD2 LYS A 57 5.010 -17.036 -8.007 1.00 1.00 H new ATOM 0 HD3 LYS A 57 4.031 -18.291 -7.274 1.00 1.00 H new ATOM 0 HE2 LYS A 57 5.885 -19.541 -6.823 1.00 1.00 H new ATOM 0 HE3 LYS A 57 6.342 -19.540 -8.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 8.028 -18.481 -7.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 7.379 -17.369 -8.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 6.899 -17.325 -6.593 1.00 1.00 H new ATOM 879 N GLY A 58 5.241 -14.930 -10.451 1.00 1.00 N ATOM 880 CA GLY A 58 4.982 -13.695 -9.718 1.00 1.00 C ATOM 881 C GLY A 58 4.317 -12.659 -10.617 1.00 1.00 C ATOM 882 O GLY A 58 3.537 -11.828 -10.152 1.00 1.00 O ATOM 0 H GLY A 58 6.196 -15.029 -10.794 1.00 1.00 H new ATOM 0 HA2 GLY A 58 4.342 -13.903 -8.861 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.918 -13.296 -9.327 1.00 1.00 H new ATOM 886 N HIS A 59 4.631 -12.715 -11.908 1.00 1.00 N ATOM 887 CA HIS A 59 4.056 -11.775 -12.864 1.00 1.00 C ATOM 888 C HIS A 59 2.534 -11.869 -12.860 1.00 1.00 C ATOM 889 O HIS A 59 1.844 -10.937 -13.275 1.00 1.00 O ATOM 890 CB HIS A 59 4.584 -12.072 -14.268 1.00 1.00 C ATOM 891 CG HIS A 59 3.429 -12.328 -15.196 1.00 1.00 C ATOM 892 ND1 HIS A 59 2.808 -11.309 -15.902 1.00 1.00 N ATOM 893 CD2 HIS A 59 2.771 -13.481 -15.544 1.00 1.00 C ATOM 894 CE1 HIS A 59 1.824 -11.864 -16.633 1.00 1.00 C ATOM 895 NE2 HIS A 59 1.757 -13.186 -16.452 1.00 1.00 N ATOM 0 H HIS A 59 5.274 -13.395 -12.313 1.00 1.00 H new ATOM 0 HA HIS A 59 4.346 -10.766 -12.572 1.00 1.00 H new ATOM 0 HB2 HIS A 59 5.176 -11.232 -14.631 1.00 1.00 H new ATOM 0 HB3 HIS A 59 5.244 -12.939 -14.244 1.00 1.00 H new ATOM 0 HD2 HIS A 59 3.004 -14.467 -15.171 1.00 1.00 H new ATOM 0 HE1 HIS A 59 1.168 -11.308 -17.287 1.00 1.00 H new ATOM 0 HE2 HIS A 59 1.104 -13.839 -16.885 1.00 1.00 H new ATOM 903 N HIS A 60 2.017 -12.999 -12.388 1.00 1.00 N ATOM 904 CA HIS A 60 0.574 -13.203 -12.335 1.00 1.00 C ATOM 905 C HIS A 60 0.033 -12.844 -10.956 1.00 1.00 C ATOM 906 O HIS A 60 -0.199 -11.674 -10.654 1.00 1.00 O ATOM 907 CB HIS A 60 0.240 -14.662 -12.654 1.00 1.00 C ATOM 908 CG HIS A 60 0.184 -14.850 -14.145 1.00 1.00 C ATOM 909 ND1 HIS A 60 0.902 -15.842 -14.792 1.00 1.00 N ATOM 910 CD2 HIS A 60 -0.502 -14.181 -15.129 1.00 1.00 C ATOM 911 CE1 HIS A 60 0.636 -15.744 -16.108 1.00 1.00 C ATOM 912 NE2 HIS A 60 -0.215 -14.746 -16.367 1.00 1.00 N ATOM 0 H HIS A 60 2.571 -13.782 -12.039 1.00 1.00 H new ATOM 0 HA HIS A 60 0.107 -12.554 -13.076 1.00 1.00 H new ATOM 0 HB2 HIS A 60 0.993 -15.321 -12.222 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -0.716 -14.933 -12.207 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -1.164 -13.343 -14.966 1.00 1.00 H new ATOM 0 HE1 HIS A 60 1.058 -16.392 -16.862 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -0.576 -14.460 -17.277 1.00 1.00 H new ATOM 920 N HIS A 61 -0.167 -13.861 -10.121 1.00 1.00 N ATOM 921 CA HIS A 61 -0.682 -13.640 -8.775 1.00 1.00 C ATOM 922 C HIS A 61 -0.132 -14.688 -7.812 1.00 1.00 C ATOM 923 O HIS A 61 0.682 -15.529 -8.194 1.00 1.00 O ATOM 924 CB HIS A 61 -2.211 -13.705 -8.783 1.00 1.00 C ATOM 925 CG HIS A 61 -2.770 -12.331 -9.030 1.00 1.00 C ATOM 926 ND1 HIS A 61 -2.906 -11.395 -8.017 1.00 1.00 N ATOM 927 CD2 HIS A 61 -3.233 -11.720 -10.169 1.00 1.00 C ATOM 928 CE1 HIS A 61 -3.431 -10.282 -8.561 1.00 1.00 C ATOM 929 NE2 HIS A 61 -3.650 -10.427 -9.870 1.00 1.00 N ATOM 0 H HIS A 61 0.018 -14.837 -10.351 1.00 1.00 H new ATOM 0 HA HIS A 61 -0.362 -12.653 -8.442 1.00 1.00 H new ATOM 0 HB2 HIS A 61 -2.552 -14.393 -9.557 1.00 1.00 H new ATOM 0 HB3 HIS A 61 -2.574 -14.091 -7.831 1.00 1.00 H new ATOM 0 HD2 HIS A 61 -3.268 -12.174 -11.148 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -3.649 -9.381 -8.006 1.00 1.00 H new ATOM 0 HE2 HIS A 61 -4.040 -9.738 -10.513 1.00 1.00 H new ATOM 937 N HIS A 62 -0.580 -14.630 -6.562 1.00 1.00 N ATOM 938 CA HIS A 62 -0.126 -15.579 -5.553 1.00 1.00 C ATOM 939 C HIS A 62 -0.807 -16.931 -5.743 1.00 1.00 C ATOM 940 O HIS A 62 -1.999 -17.078 -5.478 1.00 1.00 O ATOM 941 CB HIS A 62 -0.435 -15.042 -4.154 1.00 1.00 C ATOM 942 CG HIS A 62 -0.204 -16.126 -3.138 1.00 1.00 C ATOM 943 ND1 HIS A 62 -1.208 -16.999 -2.748 1.00 1.00 N ATOM 944 CD2 HIS A 62 0.909 -16.492 -2.422 1.00 1.00 C ATOM 945 CE1 HIS A 62 -0.684 -17.838 -1.836 1.00 1.00 C ATOM 946 NE2 HIS A 62 0.603 -17.573 -1.601 1.00 1.00 N ATOM 0 H HIS A 62 -1.252 -13.941 -6.225 1.00 1.00 H new ATOM 0 HA HIS A 62 0.951 -15.709 -5.663 1.00 1.00 H new ATOM 0 HB2 HIS A 62 0.199 -14.183 -3.935 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -1.468 -14.697 -4.105 1.00 1.00 H new ATOM 0 HD2 HIS A 62 1.875 -16.014 -2.486 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -1.237 -18.630 -1.353 1.00 1.00 H new ATOM 0 HE2 HIS A 62 1.228 -18.059 -0.958 1.00 1.00 H new ATOM 954 N HIS A 63 -0.041 -17.914 -6.205 1.00 1.00 N ATOM 955 CA HIS A 63 -0.580 -19.249 -6.426 1.00 1.00 C ATOM 956 C HIS A 63 -1.870 -19.172 -7.233 1.00 1.00 C ATOM 957 O HIS A 63 -2.832 -19.888 -6.957 1.00 1.00 O ATOM 958 CB HIS A 63 -0.848 -19.929 -5.085 1.00 1.00 C ATOM 959 CG HIS A 63 -0.753 -21.420 -5.250 1.00 1.00 C ATOM 960 ND1 HIS A 63 0.447 -22.059 -5.518 1.00 1.00 N ATOM 961 CD2 HIS A 63 -1.700 -22.413 -5.188 1.00 1.00 C ATOM 962 CE1 HIS A 63 0.194 -23.378 -5.607 1.00 1.00 C ATOM 963 NE2 HIS A 63 -1.099 -23.648 -5.413 1.00 1.00 N ATOM 0 H HIS A 63 0.948 -17.812 -6.432 1.00 1.00 H new ATOM 0 HA HIS A 63 0.150 -19.833 -6.986 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -0.127 -19.588 -4.342 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -1.837 -19.656 -4.718 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -2.751 -22.259 -4.994 1.00 1.00 H new ATOM 0 HE1 HIS A 63 0.945 -24.127 -5.811 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -1.550 -24.563 -5.427 1.00 1.00 H new ATOM 971 N HIS A 64 -1.881 -18.294 -8.230 1.00 1.00 N ATOM 972 CA HIS A 64 -3.055 -18.125 -9.075 1.00 1.00 C ATOM 973 C HIS A 64 -4.327 -18.144 -8.234 1.00 1.00 C ATOM 974 O HIS A 64 -4.359 -17.456 -7.227 1.00 1.00 O ATOM 975 CB HIS A 64 -3.115 -19.240 -10.119 1.00 1.00 C ATOM 976 CG HIS A 64 -1.899 -19.165 -11.003 1.00 1.00 C ATOM 977 ND1 HIS A 64 -1.869 -18.395 -12.155 1.00 1.00 N ATOM 978 CD2 HIS A 64 -0.664 -19.759 -10.916 1.00 1.00 C ATOM 979 CE1 HIS A 64 -0.652 -18.545 -12.711 1.00 1.00 C ATOM 980 NE2 HIS A 64 0.121 -19.365 -11.995 1.00 1.00 N ATOM 981 OXT HIS A 64 -5.252 -18.845 -8.610 1.00 1.00 O ATOM 0 H HIS A 64 -1.094 -17.692 -8.471 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.980 -17.161 -9.579 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -3.161 -20.212 -9.627 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -4.020 -19.143 -10.718 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -0.350 -20.430 -10.130 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -0.339 -18.061 -13.625 1.00 1.00 H new ATOM 0 HE2 HIS A 64 1.082 -19.643 -12.196 1.00 1.00 H new TER 989 HIS A 64