USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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 62 HIS : no HD1:sc= 0.677 K(o=0.68,f=-3.6!) USER MOD Set 1.2: A 63 HIS : no HD1:sc= 0 X(o=0.68,f=0.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.0824 (180deg=-0.959) USER MOD Single : A 9 ASN : amide:sc= -1.19! C(o=-1.2!,f=-0.93!) 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= -3.64 K(o=-3.6,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= -4! K(o=-4!,f=0.37) USER MOD Single : A 17 SER OG : rot 44:sc= 0.0304 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.103 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 29:sc= 0.922 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -171:sc= -0.111 (180deg=-0.281) USER MOD Single : A 43 THR OG1 : rot 78:sc= 0.573 USER MOD Single : A 44 THR OG1 : rot 94:sc= -0.854! USER MOD Single : A 46 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.15) USER MOD Single : A 52 THR OG1 : rot 35:sc= 1.66 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0121 (180deg=-0.379) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 60 HIS : no HD1:sc= -6.16! C(o=-6.2!,f=-7.3!) USER MOD Single : A 61 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.039) USER MOD Single : A 64 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.985 -2.359 -8.343 1.00 1.00 N ATOM 2 CA MET A 1 62.083 -2.848 -7.462 1.00 1.00 C ATOM 3 C MET A 1 61.887 -2.295 -6.055 1.00 1.00 C ATOM 4 O MET A 1 61.058 -1.413 -5.834 1.00 1.00 O ATOM 5 CB MET A 1 63.428 -2.385 -8.024 1.00 1.00 C ATOM 6 CG MET A 1 63.604 -2.925 -9.444 1.00 1.00 C ATOM 7 SD MET A 1 65.021 -4.049 -9.492 1.00 1.00 S ATOM 8 CE MET A 1 64.969 -4.403 -11.266 1.00 1.00 C ATOM 0 H1 MET A 1 60.600 -3.154 -8.892 1.00 1.00 H new ATOM 0 H2 MET A 1 60.231 -1.944 -7.760 1.00 1.00 H new ATOM 0 H3 MET A 1 61.357 -1.637 -8.993 1.00 1.00 H new ATOM 0 HA MET A 1 62.068 -3.937 -7.423 1.00 1.00 H new ATOM 0 HB2 MET A 1 63.476 -1.296 -8.030 1.00 1.00 H new ATOM 0 HB3 MET A 1 64.240 -2.736 -7.387 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.701 -3.448 -9.760 1.00 1.00 H new ATOM 0 HG3 MET A 1 63.756 -2.101 -10.141 1.00 1.00 H new ATOM 0 HE1 MET A 1 65.773 -5.092 -11.523 1.00 1.00 H new ATOM 0 HE2 MET A 1 64.010 -4.854 -11.519 1.00 1.00 H new ATOM 0 HE3 MET A 1 65.093 -3.476 -11.826 1.00 1.00 H new ATOM 20 N GLU A 2 62.655 -2.821 -5.106 1.00 1.00 N ATOM 21 CA GLU A 2 62.556 -2.372 -3.722 1.00 1.00 C ATOM 22 C GLU A 2 63.661 -1.369 -3.405 1.00 1.00 C ATOM 23 O GLU A 2 64.486 -1.597 -2.519 1.00 1.00 O ATOM 24 CB GLU A 2 62.665 -3.569 -2.775 1.00 1.00 C ATOM 25 CG GLU A 2 61.819 -4.724 -3.315 1.00 1.00 C ATOM 26 CD GLU A 2 61.686 -5.811 -2.254 1.00 1.00 C ATOM 27 OE1 GLU A 2 61.325 -5.480 -1.136 1.00 1.00 O ATOM 28 OE2 GLU A 2 61.945 -6.960 -2.575 1.00 1.00 O ATOM 0 H GLU A 2 63.347 -3.552 -5.268 1.00 1.00 H new ATOM 0 HA GLU A 2 61.589 -1.888 -3.585 1.00 1.00 H new ATOM 0 HB2 GLU A 2 63.706 -3.879 -2.681 1.00 1.00 H new ATOM 0 HB3 GLU A 2 62.325 -3.290 -1.778 1.00 1.00 H new ATOM 0 HG2 GLU A 2 60.832 -4.360 -3.601 1.00 1.00 H new ATOM 0 HG3 GLU A 2 62.280 -5.135 -4.213 1.00 1.00 H new ATOM 35 N GLU A 3 63.673 -0.257 -4.133 1.00 1.00 N ATOM 36 CA GLU A 3 64.681 0.774 -3.922 1.00 1.00 C ATOM 37 C GLU A 3 64.055 2.162 -4.007 1.00 1.00 C ATOM 38 O GLU A 3 64.139 2.829 -5.038 1.00 1.00 O ATOM 39 CB GLU A 3 65.788 0.646 -4.969 1.00 1.00 C ATOM 40 CG GLU A 3 66.778 -0.438 -4.537 1.00 1.00 C ATOM 41 CD GLU A 3 67.738 0.120 -3.493 1.00 1.00 C ATOM 42 OE1 GLU A 3 67.463 1.189 -2.974 1.00 1.00 O ATOM 43 OE2 GLU A 3 68.736 -0.531 -3.226 1.00 1.00 O ATOM 0 H GLU A 3 63.000 -0.048 -4.870 1.00 1.00 H new ATOM 0 HA GLU A 3 65.106 0.640 -2.927 1.00 1.00 H new ATOM 0 HB2 GLU A 3 65.358 0.395 -5.939 1.00 1.00 H new ATOM 0 HB3 GLU A 3 66.304 1.599 -5.086 1.00 1.00 H new ATOM 0 HG2 GLU A 3 66.239 -1.292 -4.128 1.00 1.00 H new ATOM 0 HG3 GLU A 3 67.336 -0.798 -5.401 1.00 1.00 H new ATOM 50 N GLY A 4 63.427 2.591 -2.918 1.00 1.00 N ATOM 51 CA GLY A 4 62.789 3.902 -2.881 1.00 1.00 C ATOM 52 C GLY A 4 61.657 3.929 -1.860 1.00 1.00 C ATOM 53 O GLY A 4 61.630 4.781 -0.973 1.00 1.00 O ATOM 0 H GLY A 4 63.346 2.054 -2.054 1.00 1.00 H new ATOM 0 HA2 GLY A 4 63.528 4.663 -2.631 1.00 1.00 H new ATOM 0 HA3 GLY A 4 62.399 4.149 -3.868 1.00 1.00 H new ATOM 57 N GLY A 5 60.724 2.992 -1.992 1.00 1.00 N ATOM 58 CA GLY A 5 59.594 2.919 -1.075 1.00 1.00 C ATOM 59 C GLY A 5 58.797 4.218 -1.087 1.00 1.00 C ATOM 60 O GLY A 5 59.245 5.228 -1.630 1.00 1.00 O ATOM 0 H GLY A 5 60.728 2.278 -2.720 1.00 1.00 H new ATOM 0 HA2 GLY A 5 58.947 2.088 -1.355 1.00 1.00 H new ATOM 0 HA3 GLY A 5 59.952 2.717 -0.066 1.00 1.00 H new ATOM 64 N ASP A 6 57.612 4.186 -0.485 1.00 1.00 N ATOM 65 CA ASP A 6 56.760 5.368 -0.434 1.00 1.00 C ATOM 66 C ASP A 6 55.885 5.344 0.816 1.00 1.00 C ATOM 67 O ASP A 6 55.177 4.369 1.071 1.00 1.00 O ATOM 68 CB ASP A 6 55.873 5.427 -1.678 1.00 1.00 C ATOM 69 CG ASP A 6 56.510 6.330 -2.730 1.00 1.00 C ATOM 70 OD1 ASP A 6 56.540 7.529 -2.512 1.00 1.00 O ATOM 71 OD2 ASP A 6 56.958 5.808 -3.738 1.00 1.00 O ATOM 0 H ASP A 6 57.223 3.361 -0.029 1.00 1.00 H new ATOM 0 HA ASP A 6 57.398 6.251 -0.401 1.00 1.00 H new ATOM 0 HB2 ASP A 6 55.734 4.425 -2.083 1.00 1.00 H new ATOM 0 HB3 ASP A 6 54.885 5.804 -1.413 1.00 1.00 H new ATOM 76 N PHE A 7 55.939 6.421 1.591 1.00 1.00 N ATOM 77 CA PHE A 7 55.146 6.513 2.811 1.00 1.00 C ATOM 78 C PHE A 7 53.663 6.338 2.502 1.00 1.00 C ATOM 79 O PHE A 7 53.175 6.802 1.471 1.00 1.00 O ATOM 80 CB PHE A 7 55.373 7.870 3.481 1.00 1.00 C ATOM 81 CG PHE A 7 56.616 7.809 4.335 1.00 1.00 C ATOM 82 CD1 PHE A 7 57.867 8.091 3.772 1.00 1.00 C ATOM 83 CD2 PHE A 7 56.519 7.468 5.690 1.00 1.00 C ATOM 84 CE1 PHE A 7 59.020 8.035 4.565 1.00 1.00 C ATOM 85 CE2 PHE A 7 57.672 7.412 6.482 1.00 1.00 C ATOM 86 CZ PHE A 7 58.923 7.695 5.919 1.00 1.00 C ATOM 0 H PHE A 7 56.519 7.237 1.398 1.00 1.00 H new ATOM 0 HA PHE A 7 55.461 5.717 3.486 1.00 1.00 H new ATOM 0 HB2 PHE A 7 55.477 8.648 2.725 1.00 1.00 H new ATOM 0 HB3 PHE A 7 54.511 8.134 4.094 1.00 1.00 H new ATOM 0 HD1 PHE A 7 57.943 8.352 2.727 1.00 1.00 H new ATOM 0 HD2 PHE A 7 55.555 7.248 6.124 1.00 1.00 H new ATOM 0 HE1 PHE A 7 59.984 8.254 4.131 1.00 1.00 H new ATOM 0 HE2 PHE A 7 57.597 7.151 7.527 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.813 7.651 6.530 1.00 1.00 H new ATOM 96 N ASP A 8 52.951 5.666 3.401 1.00 1.00 N ATOM 97 CA ASP A 8 51.523 5.435 3.214 1.00 1.00 C ATOM 98 C ASP A 8 50.831 5.242 4.559 1.00 1.00 C ATOM 99 O ASP A 8 50.068 4.293 4.744 1.00 1.00 O ATOM 100 CB ASP A 8 51.304 4.197 2.341 1.00 1.00 C ATOM 101 CG ASP A 8 49.843 4.113 1.914 1.00 1.00 C ATOM 102 OD1 ASP A 8 49.331 5.105 1.424 1.00 1.00 O ATOM 103 OD2 ASP A 8 49.258 3.056 2.085 1.00 1.00 O ATOM 0 H ASP A 8 53.336 5.274 4.260 1.00 1.00 H new ATOM 0 HA ASP A 8 51.094 6.307 2.720 1.00 1.00 H new ATOM 0 HB2 ASP A 8 51.946 4.243 1.462 1.00 1.00 H new ATOM 0 HB3 ASP A 8 51.583 3.299 2.892 1.00 1.00 H new ATOM 108 N ASN A 9 51.102 6.146 5.494 1.00 1.00 N ATOM 109 CA ASN A 9 50.499 6.065 6.819 1.00 1.00 C ATOM 110 C ASN A 9 50.084 7.450 7.305 1.00 1.00 C ATOM 111 O ASN A 9 50.346 7.821 8.449 1.00 1.00 O ATOM 112 CB ASN A 9 51.492 5.450 7.808 1.00 1.00 C ATOM 113 CG ASN A 9 50.855 5.349 9.191 1.00 1.00 C ATOM 114 OD1 ASN A 9 49.872 4.631 9.371 1.00 1.00 O ATOM 115 ND2 ASN A 9 51.361 6.030 10.182 1.00 1.00 N ATOM 0 H ASN A 9 51.731 6.938 5.361 1.00 1.00 H new ATOM 0 HA ASN A 9 49.612 5.435 6.756 1.00 1.00 H new ATOM 0 HB2 ASN A 9 51.795 4.461 7.465 1.00 1.00 H new ATOM 0 HB3 ASN A 9 52.394 6.060 7.857 1.00 1.00 H new ATOM 0 HD21 ASN A 9 50.942 5.968 11.110 1.00 1.00 H new ATOM 0 HD22 ASN A 9 52.176 6.624 10.029 1.00 1.00 H new ATOM 122 N TYR A 10 49.436 8.209 6.428 1.00 1.00 N ATOM 123 CA TYR A 10 48.990 9.552 6.779 1.00 1.00 C ATOM 124 C TYR A 10 48.084 9.513 8.006 1.00 1.00 C ATOM 125 O TYR A 10 47.689 8.440 8.464 1.00 1.00 O ATOM 126 CB TYR A 10 48.233 10.174 5.604 1.00 1.00 C ATOM 127 CG TYR A 10 49.181 11.011 4.781 1.00 1.00 C ATOM 128 CD1 TYR A 10 50.109 10.389 3.936 1.00 1.00 C ATOM 129 CD2 TYR A 10 49.133 12.408 4.859 1.00 1.00 C ATOM 130 CE1 TYR A 10 50.990 11.164 3.172 1.00 1.00 C ATOM 131 CE2 TYR A 10 50.013 13.183 4.095 1.00 1.00 C ATOM 132 CZ TYR A 10 50.942 12.562 3.252 1.00 1.00 C ATOM 133 OH TYR A 10 51.809 13.326 2.498 1.00 1.00 O ATOM 0 H TYR A 10 49.209 7.920 5.476 1.00 1.00 H new ATOM 0 HA TYR A 10 49.867 10.157 7.008 1.00 1.00 H new ATOM 0 HB2 TYR A 10 47.792 9.391 4.986 1.00 1.00 H new ATOM 0 HB3 TYR A 10 47.412 10.790 5.972 1.00 1.00 H new ATOM 0 HD1 TYR A 10 50.145 9.311 3.874 1.00 1.00 H new ATOM 0 HD2 TYR A 10 48.416 12.888 5.509 1.00 1.00 H new ATOM 0 HE1 TYR A 10 51.706 10.684 2.521 1.00 1.00 H new ATOM 0 HE2 TYR A 10 49.975 14.261 4.156 1.00 1.00 H new ATOM 0 HH TYR A 10 51.642 14.276 2.670 1.00 1.00 H new ATOM 143 N TYR A 11 47.760 10.688 8.535 1.00 1.00 N ATOM 144 CA TYR A 11 46.901 10.776 9.709 1.00 1.00 C ATOM 145 C TYR A 11 45.558 10.103 9.442 1.00 1.00 C ATOM 146 O TYR A 11 45.219 9.804 8.298 1.00 1.00 O ATOM 147 CB TYR A 11 46.674 12.242 10.083 1.00 1.00 C ATOM 148 CG TYR A 11 46.587 13.074 8.826 1.00 1.00 C ATOM 149 CD1 TYR A 11 45.419 13.053 8.054 1.00 1.00 C ATOM 150 CD2 TYR A 11 47.672 13.866 8.434 1.00 1.00 C ATOM 151 CE1 TYR A 11 45.337 13.825 6.889 1.00 1.00 C ATOM 152 CE2 TYR A 11 47.590 14.638 7.269 1.00 1.00 C ATOM 153 CZ TYR A 11 46.423 14.617 6.495 1.00 1.00 C ATOM 154 OH TYR A 11 46.343 15.378 5.348 1.00 1.00 O ATOM 0 H TYR A 11 48.077 11.587 8.172 1.00 1.00 H new ATOM 0 HA TYR A 11 47.394 10.263 10.535 1.00 1.00 H new ATOM 0 HB2 TYR A 11 45.757 12.343 10.663 1.00 1.00 H new ATOM 0 HB3 TYR A 11 47.490 12.598 10.712 1.00 1.00 H new ATOM 0 HD1 TYR A 11 44.582 12.442 8.357 1.00 1.00 H new ATOM 0 HD2 TYR A 11 48.572 13.882 9.030 1.00 1.00 H new ATOM 0 HE1 TYR A 11 44.436 13.810 6.294 1.00 1.00 H new ATOM 0 HE2 TYR A 11 48.427 15.250 6.967 1.00 1.00 H new ATOM 0 HH TYR A 11 47.182 15.868 5.221 1.00 1.00 H new ATOM 164 N GLY A 12 44.797 9.869 10.507 1.00 1.00 N ATOM 165 CA GLY A 12 43.492 9.232 10.375 1.00 1.00 C ATOM 166 C GLY A 12 42.376 10.271 10.368 1.00 1.00 C ATOM 167 O GLY A 12 42.462 11.283 9.672 1.00 1.00 O ATOM 0 H GLY A 12 45.059 10.109 11.463 1.00 1.00 H new ATOM 0 HA2 GLY A 12 43.458 8.651 9.454 1.00 1.00 H new ATOM 0 HA3 GLY A 12 43.339 8.534 11.198 1.00 1.00 H new ATOM 171 N ALA A 13 41.330 10.013 11.145 1.00 1.00 N ATOM 172 CA ALA A 13 40.201 10.934 11.220 1.00 1.00 C ATOM 173 C ALA A 13 39.687 11.265 9.822 1.00 1.00 C ATOM 174 O ALA A 13 39.683 12.425 9.410 1.00 1.00 O ATOM 175 CB ALA A 13 40.624 12.222 11.928 1.00 1.00 C ATOM 0 H ALA A 13 41.240 9.181 11.728 1.00 1.00 H new ATOM 0 HA ALA A 13 39.402 10.455 11.785 1.00 1.00 H new ATOM 0 HB1 ALA A 13 39.775 12.904 11.980 1.00 1.00 H new ATOM 0 HB2 ALA A 13 40.964 11.988 12.937 1.00 1.00 H new ATOM 0 HB3 ALA A 13 41.435 12.693 11.372 1.00 1.00 H new ATOM 181 N ASP A 14 39.253 10.239 9.099 1.00 1.00 N ATOM 182 CA ASP A 14 38.738 10.432 7.748 1.00 1.00 C ATOM 183 C ASP A 14 37.494 9.578 7.522 1.00 1.00 C ATOM 184 O ASP A 14 37.339 8.957 6.471 1.00 1.00 O ATOM 185 CB ASP A 14 39.810 10.057 6.722 1.00 1.00 C ATOM 186 CG ASP A 14 39.590 10.838 5.430 1.00 1.00 C ATOM 187 OD1 ASP A 14 39.529 12.054 5.500 1.00 1.00 O ATOM 188 OD2 ASP A 14 39.486 10.208 4.391 1.00 1.00 O ATOM 0 H ASP A 14 39.247 9.272 9.422 1.00 1.00 H new ATOM 0 HA ASP A 14 38.471 11.482 7.627 1.00 1.00 H new ATOM 0 HB2 ASP A 14 40.800 10.273 7.123 1.00 1.00 H new ATOM 0 HB3 ASP A 14 39.774 8.986 6.520 1.00 1.00 H new ATOM 193 N ASN A 15 36.611 9.555 8.514 1.00 1.00 N ATOM 194 CA ASN A 15 35.383 8.774 8.412 1.00 1.00 C ATOM 195 C ASN A 15 34.299 9.359 9.312 1.00 1.00 C ATOM 196 O ASN A 15 33.575 8.626 9.984 1.00 1.00 O ATOM 197 CB ASN A 15 35.653 7.322 8.812 1.00 1.00 C ATOM 198 CG ASN A 15 36.513 6.641 7.753 1.00 1.00 C ATOM 199 OD1 ASN A 15 35.987 6.071 6.797 1.00 1.00 O ATOM 200 ND2 ASN A 15 37.812 6.667 7.867 1.00 1.00 N ATOM 0 H ASN A 15 36.720 10.064 9.391 1.00 1.00 H new ATOM 0 HA ASN A 15 35.038 8.808 7.379 1.00 1.00 H new ATOM 0 HB2 ASN A 15 36.157 7.290 9.778 1.00 1.00 H new ATOM 0 HB3 ASN A 15 34.711 6.786 8.927 1.00 1.00 H new ATOM 0 HD21 ASN A 15 38.395 6.214 7.163 1.00 1.00 H new ATOM 0 HD22 ASN A 15 38.245 7.140 8.660 1.00 1.00 H new ATOM 207 N GLN A 16 34.195 10.684 9.320 1.00 1.00 N ATOM 208 CA GLN A 16 33.196 11.357 10.142 1.00 1.00 C ATOM 209 C GLN A 16 31.809 11.217 9.521 1.00 1.00 C ATOM 210 O GLN A 16 30.923 12.036 9.767 1.00 1.00 O ATOM 211 CB GLN A 16 33.547 12.839 10.281 1.00 1.00 C ATOM 212 CG GLN A 16 33.865 13.422 8.903 1.00 1.00 C ATOM 213 CD GLN A 16 35.353 13.738 8.800 1.00 1.00 C ATOM 214 OE1 GLN A 16 35.735 14.904 8.702 1.00 1.00 O ATOM 215 NE2 GLN A 16 36.221 12.764 8.820 1.00 1.00 N ATOM 0 H GLN A 16 34.785 11.309 8.771 1.00 1.00 H new ATOM 0 HA GLN A 16 33.190 10.891 11.127 1.00 1.00 H new ATOM 0 HB2 GLN A 16 32.715 13.379 10.733 1.00 1.00 H new ATOM 0 HB3 GLN A 16 34.403 12.960 10.945 1.00 1.00 H new ATOM 0 HG2 GLN A 16 33.581 12.713 8.125 1.00 1.00 H new ATOM 0 HG3 GLN A 16 33.281 14.327 8.739 1.00 1.00 H new ATOM 0 HE21 GLN A 16 35.902 11.798 8.901 1.00 1.00 H new ATOM 0 HE22 GLN A 16 37.218 12.968 8.754 1.00 1.00 H new ATOM 224 N SER A 17 31.629 10.175 8.717 1.00 1.00 N ATOM 225 CA SER A 17 30.344 9.938 8.066 1.00 1.00 C ATOM 226 C SER A 17 29.995 8.454 8.095 1.00 1.00 C ATOM 227 O SER A 17 30.697 7.652 8.711 1.00 1.00 O ATOM 228 CB SER A 17 30.396 10.424 6.618 1.00 1.00 C ATOM 229 OG SER A 17 29.101 10.314 6.040 1.00 1.00 O ATOM 0 H SER A 17 32.349 9.486 8.501 1.00 1.00 H new ATOM 0 HA SER A 17 29.576 10.491 8.607 1.00 1.00 H new ATOM 0 HB2 SER A 17 30.737 11.459 6.581 1.00 1.00 H new ATOM 0 HB3 SER A 17 31.113 9.832 6.049 1.00 1.00 H new ATOM 0 HG SER A 17 28.430 10.641 6.675 1.00 1.00 H new ATOM 235 N GLU A 18 28.906 8.095 7.423 1.00 1.00 N ATOM 236 CA GLU A 18 28.471 6.703 7.377 1.00 1.00 C ATOM 237 C GLU A 18 29.408 5.878 6.500 1.00 1.00 C ATOM 238 O GLU A 18 29.004 5.362 5.459 1.00 1.00 O ATOM 239 CB GLU A 18 27.047 6.620 6.826 1.00 1.00 C ATOM 240 CG GLU A 18 26.419 5.286 7.233 1.00 1.00 C ATOM 241 CD GLU A 18 25.054 5.130 6.572 1.00 1.00 C ATOM 242 OE1 GLU A 18 24.134 5.813 6.991 1.00 1.00 O ATOM 243 OE2 GLU A 18 24.948 4.331 5.657 1.00 1.00 O ATOM 0 H GLU A 18 28.312 8.743 6.906 1.00 1.00 H new ATOM 0 HA GLU A 18 28.492 6.301 8.390 1.00 1.00 H new ATOM 0 HB2 GLU A 18 26.449 7.447 7.208 1.00 1.00 H new ATOM 0 HB3 GLU A 18 27.060 6.712 5.740 1.00 1.00 H new ATOM 0 HG2 GLU A 18 27.071 4.463 6.939 1.00 1.00 H new ATOM 0 HG3 GLU A 18 26.315 5.239 8.317 1.00 1.00 H new ATOM 250 N CYS A 19 30.660 5.759 6.929 1.00 1.00 N ATOM 251 CA CYS A 19 31.646 4.994 6.176 1.00 1.00 C ATOM 252 C CYS A 19 32.499 4.146 7.113 1.00 1.00 C ATOM 253 O CYS A 19 32.242 4.084 8.316 1.00 1.00 O ATOM 254 CB CYS A 19 32.546 5.942 5.380 1.00 1.00 C ATOM 255 SG CYS A 19 32.879 5.232 3.749 1.00 1.00 S ATOM 0 H CYS A 19 31.014 6.179 7.788 1.00 1.00 H new ATOM 0 HA CYS A 19 31.117 4.333 5.489 1.00 1.00 H new ATOM 0 HB2 CYS A 19 32.064 6.914 5.274 1.00 1.00 H new ATOM 0 HB3 CYS A 19 33.482 6.107 5.915 1.00 1.00 H new ATOM 0 HG CYS A 19 33.642 6.038 3.072 1.00 1.00 H new ATOM 261 N GLU A 20 33.515 3.496 6.556 1.00 1.00 N ATOM 262 CA GLU A 20 34.400 2.654 7.354 1.00 1.00 C ATOM 263 C GLU A 20 33.614 1.528 8.017 1.00 1.00 C ATOM 264 O GLU A 20 34.167 0.743 8.788 1.00 1.00 O ATOM 265 CB GLU A 20 35.095 3.496 8.426 1.00 1.00 C ATOM 266 CG GLU A 20 36.605 3.260 8.360 1.00 1.00 C ATOM 267 CD GLU A 20 37.298 4.007 9.495 1.00 1.00 C ATOM 268 OE1 GLU A 20 36.671 4.195 10.525 1.00 1.00 O ATOM 269 OE2 GLU A 20 38.446 4.381 9.318 1.00 1.00 O ATOM 0 H GLU A 20 33.746 3.535 5.563 1.00 1.00 H new ATOM 0 HA GLU A 20 35.149 2.218 6.694 1.00 1.00 H new ATOM 0 HB2 GLU A 20 34.874 4.552 8.274 1.00 1.00 H new ATOM 0 HB3 GLU A 20 34.717 3.231 9.413 1.00 1.00 H new ATOM 0 HG2 GLU A 20 36.818 2.193 8.431 1.00 1.00 H new ATOM 0 HG3 GLU A 20 36.993 3.599 7.400 1.00 1.00 H new ATOM 276 N TYR A 21 32.324 1.455 7.713 1.00 1.00 N ATOM 277 CA TYR A 21 31.471 0.420 8.286 1.00 1.00 C ATOM 278 C TYR A 21 31.802 -0.942 7.681 1.00 1.00 C ATOM 279 O TYR A 21 31.048 -1.901 7.841 1.00 1.00 O ATOM 280 CB TYR A 21 30.001 0.751 8.026 1.00 1.00 C ATOM 281 CG TYR A 21 29.563 0.113 6.728 1.00 1.00 C ATOM 282 CD1 TYR A 21 30.001 0.638 5.507 1.00 1.00 C ATOM 283 CD2 TYR A 21 28.718 -1.003 6.748 1.00 1.00 C ATOM 284 CE1 TYR A 21 29.595 0.047 4.305 1.00 1.00 C ATOM 285 CE2 TYR A 21 28.312 -1.595 5.546 1.00 1.00 C ATOM 286 CZ TYR A 21 28.751 -1.070 4.324 1.00 1.00 C ATOM 287 OH TYR A 21 28.351 -1.653 3.139 1.00 1.00 O ATOM 0 H TYR A 21 31.848 2.095 7.078 1.00 1.00 H new ATOM 0 HA TYR A 21 31.650 0.382 9.361 1.00 1.00 H new ATOM 0 HB2 TYR A 21 29.384 0.388 8.848 1.00 1.00 H new ATOM 0 HB3 TYR A 21 29.863 1.831 7.977 1.00 1.00 H new ATOM 0 HD1 TYR A 21 30.652 1.499 5.492 1.00 1.00 H new ATOM 0 HD2 TYR A 21 28.379 -1.407 7.691 1.00 1.00 H new ATOM 0 HE1 TYR A 21 29.933 0.453 3.363 1.00 1.00 H new ATOM 0 HE2 TYR A 21 27.660 -2.456 5.561 1.00 1.00 H new ATOM 0 HH TYR A 21 27.769 -2.418 3.331 1.00 1.00 H new ATOM 297 N THR A 22 32.932 -1.016 6.986 1.00 1.00 N ATOM 298 CA THR A 22 33.353 -2.264 6.362 1.00 1.00 C ATOM 299 C THR A 22 34.413 -2.959 7.211 1.00 1.00 C ATOM 300 O THR A 22 34.492 -4.187 7.238 1.00 1.00 O ATOM 301 CB THR A 22 33.914 -1.987 4.966 1.00 1.00 C ATOM 302 OG1 THR A 22 32.867 -1.537 4.118 1.00 1.00 O ATOM 303 CG2 THR A 22 34.522 -3.268 4.395 1.00 1.00 C ATOM 0 H THR A 22 33.569 -0.232 6.841 1.00 1.00 H new ATOM 0 HA THR A 22 32.485 -2.918 6.281 1.00 1.00 H new ATOM 0 HB THR A 22 34.685 -1.220 5.029 1.00 1.00 H new ATOM 0 HG1 THR A 22 33.225 -1.357 3.224 1.00 1.00 H new ATOM 0 HG21 THR A 22 34.921 -3.069 3.400 1.00 1.00 H new ATOM 0 HG22 THR A 22 35.325 -3.611 5.047 1.00 1.00 H new ATOM 0 HG23 THR A 22 33.753 -4.038 4.330 1.00 1.00 H new ATOM 311 N ASP A 23 35.225 -2.166 7.901 1.00 1.00 N ATOM 312 CA ASP A 23 36.278 -2.717 8.746 1.00 1.00 C ATOM 313 C ASP A 23 35.765 -2.937 10.166 1.00 1.00 C ATOM 314 O ASP A 23 36.541 -2.957 11.122 1.00 1.00 O ATOM 315 CB ASP A 23 37.477 -1.767 8.774 1.00 1.00 C ATOM 316 CG ASP A 23 37.323 -0.764 9.911 1.00 1.00 C ATOM 317 OD1 ASP A 23 36.494 0.122 9.785 1.00 1.00 O ATOM 318 OD2 ASP A 23 38.040 -0.893 10.890 1.00 1.00 O ATOM 0 H ASP A 23 35.176 -1.147 7.893 1.00 1.00 H new ATOM 0 HA ASP A 23 36.586 -3.677 8.331 1.00 1.00 H new ATOM 0 HB2 ASP A 23 38.398 -2.335 8.902 1.00 1.00 H new ATOM 0 HB3 ASP A 23 37.557 -1.241 7.823 1.00 1.00 H new ATOM 323 N TRP A 24 34.453 -3.102 10.294 1.00 1.00 N ATOM 324 CA TRP A 24 33.842 -3.320 11.602 1.00 1.00 C ATOM 325 C TRP A 24 34.653 -4.327 12.417 1.00 1.00 C ATOM 326 O TRP A 24 35.634 -3.963 13.066 1.00 1.00 O ATOM 327 CB TRP A 24 32.401 -3.817 11.431 1.00 1.00 C ATOM 328 CG TRP A 24 32.266 -4.558 10.136 1.00 1.00 C ATOM 329 CD1 TRP A 24 33.217 -5.344 9.580 1.00 1.00 C ATOM 330 CD2 TRP A 24 31.124 -4.596 9.231 1.00 1.00 C ATOM 331 NE1 TRP A 24 32.732 -5.859 8.391 1.00 1.00 N ATOM 332 CE2 TRP A 24 31.446 -5.427 8.133 1.00 1.00 C ATOM 333 CE3 TRP A 24 29.852 -3.994 9.256 1.00 1.00 C ATOM 334 CZ2 TRP A 24 30.540 -5.654 7.096 1.00 1.00 C ATOM 335 CZ3 TRP A 24 28.938 -4.220 8.214 1.00 1.00 C ATOM 336 CH2 TRP A 24 29.281 -5.048 7.137 1.00 1.00 C ATOM 0 H TRP A 24 33.795 -3.089 9.515 1.00 1.00 H new ATOM 0 HA TRP A 24 33.831 -2.373 12.141 1.00 1.00 H new ATOM 0 HB2 TRP A 24 32.131 -4.468 12.262 1.00 1.00 H new ATOM 0 HB3 TRP A 24 31.712 -2.973 11.450 1.00 1.00 H new ATOM 0 HD1 TRP A 24 34.195 -5.538 9.996 1.00 1.00 H new ATOM 0 HE1 TRP A 24 33.260 -6.482 7.780 1.00 1.00 H new ATOM 0 HE3 TRP A 24 29.577 -3.354 10.082 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 30.810 -6.293 6.268 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 27.965 -3.753 8.243 1.00 1.00 H new ATOM 0 HH2 TRP A 24 28.573 -5.218 6.339 1.00 1.00 H new ATOM 347 N LYS A 25 34.241 -5.590 12.381 1.00 1.00 N ATOM 348 CA LYS A 25 34.940 -6.634 13.123 1.00 1.00 C ATOM 349 C LYS A 25 36.070 -7.221 12.285 1.00 1.00 C ATOM 350 O LYS A 25 36.158 -8.436 12.104 1.00 1.00 O ATOM 351 CB LYS A 25 33.962 -7.741 13.512 1.00 1.00 C ATOM 352 CG LYS A 25 33.179 -8.190 12.277 1.00 1.00 C ATOM 353 CD LYS A 25 33.320 -9.703 12.108 1.00 1.00 C ATOM 354 CE LYS A 25 32.580 -10.147 10.844 1.00 1.00 C ATOM 355 NZ LYS A 25 31.438 -11.028 11.221 1.00 1.00 N ATOM 0 H LYS A 25 33.433 -5.914 11.850 1.00 1.00 H new ATOM 0 HA LYS A 25 35.364 -6.192 14.024 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.503 -8.585 13.939 1.00 1.00 H new ATOM 0 HB3 LYS A 25 33.276 -7.381 14.279 1.00 1.00 H new ATOM 0 HG2 LYS A 25 32.128 -7.921 12.382 1.00 1.00 H new ATOM 0 HG3 LYS A 25 33.552 -7.678 11.390 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.373 -9.975 12.040 1.00 1.00 H new ATOM 0 HD3 LYS A 25 32.914 -10.216 12.979 1.00 1.00 H new ATOM 0 HE2 LYS A 25 32.217 -9.277 10.298 1.00 1.00 H new ATOM 0 HE3 LYS A 25 33.260 -10.680 10.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 30.935 -11.330 10.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 31.796 -11.864 11.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 30.785 -10.505 11.839 1.00 1.00 H new ATOM 369 N SER A 26 36.935 -6.350 11.777 1.00 1.00 N ATOM 370 CA SER A 26 38.058 -6.792 10.960 1.00 1.00 C ATOM 371 C SER A 26 39.334 -6.865 11.794 1.00 1.00 C ATOM 372 O SER A 26 39.939 -7.929 11.925 1.00 1.00 O ATOM 373 CB SER A 26 38.264 -5.826 9.793 1.00 1.00 C ATOM 374 OG SER A 26 37.794 -6.429 8.595 1.00 1.00 O ATOM 0 H SER A 26 36.881 -5.341 11.915 1.00 1.00 H new ATOM 0 HA SER A 26 37.833 -7.787 10.575 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.730 -4.894 9.979 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.320 -5.574 9.697 1.00 1.00 H new ATOM 0 HG SER A 26 37.923 -5.811 7.845 1.00 1.00 H new ATOM 380 N SER A 27 39.734 -5.728 12.354 1.00 1.00 N ATOM 381 CA SER A 27 40.940 -5.677 13.174 1.00 1.00 C ATOM 382 C SER A 27 41.128 -4.284 13.765 1.00 1.00 C ATOM 383 O SER A 27 41.654 -4.132 14.867 1.00 1.00 O ATOM 384 CB SER A 27 42.161 -6.043 12.329 1.00 1.00 C ATOM 385 OG SER A 27 42.266 -7.458 12.243 1.00 1.00 O ATOM 0 H SER A 27 39.247 -4.837 12.257 1.00 1.00 H new ATOM 0 HA SER A 27 40.833 -6.393 13.989 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.070 -5.612 11.332 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.064 -5.626 12.775 1.00 1.00 H new ATOM 0 HG SER A 27 41.374 -7.857 12.317 1.00 1.00 H new ATOM 391 N GLY A 28 40.694 -3.269 13.026 1.00 1.00 N ATOM 392 CA GLY A 28 40.820 -1.892 13.487 1.00 1.00 C ATOM 393 C GLY A 28 40.291 -1.741 14.910 1.00 1.00 C ATOM 394 O GLY A 28 40.478 -0.704 15.546 1.00 1.00 O ATOM 0 H GLY A 28 40.255 -3.373 12.111 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.866 -1.587 13.450 1.00 1.00 H new ATOM 0 HA3 GLY A 28 40.270 -1.229 12.819 1.00 1.00 H new ATOM 398 N ALA A 29 39.630 -2.784 15.404 1.00 1.00 N ATOM 399 CA ALA A 29 39.079 -2.756 16.753 1.00 1.00 C ATOM 400 C ALA A 29 40.188 -2.895 17.792 1.00 1.00 C ATOM 401 O ALA A 29 39.935 -3.297 18.929 1.00 1.00 O ATOM 402 CB ALA A 29 38.069 -3.893 16.927 1.00 1.00 C ATOM 0 H ALA A 29 39.464 -3.652 14.894 1.00 1.00 H new ATOM 0 HA ALA A 29 38.580 -1.798 16.900 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.661 -3.866 17.938 1.00 1.00 H new ATOM 0 HB2 ALA A 29 37.260 -3.775 16.206 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.565 -4.849 16.762 1.00 1.00 H new ATOM 408 N LEU A 30 41.413 -2.559 17.396 1.00 1.00 N ATOM 409 CA LEU A 30 42.555 -2.650 18.302 1.00 1.00 C ATOM 410 C LEU A 30 43.029 -1.259 18.711 1.00 1.00 C ATOM 411 O LEU A 30 44.200 -0.924 18.547 1.00 1.00 O ATOM 412 CB LEU A 30 43.705 -3.400 17.622 1.00 1.00 C ATOM 413 CG LEU A 30 43.375 -4.892 17.550 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.088 -5.515 16.347 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.846 -5.586 18.830 1.00 1.00 C ATOM 0 H LEU A 30 41.640 -2.223 16.460 1.00 1.00 H new ATOM 0 HA LEU A 30 42.242 -3.193 19.194 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.867 -3.005 16.619 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.630 -3.249 18.178 1.00 1.00 H new ATOM 0 HG LEU A 30 42.297 -5.017 17.444 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.853 -6.578 16.295 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.754 -5.025 15.432 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.165 -5.386 16.456 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.610 -6.649 18.776 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.923 -5.459 18.938 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.341 -5.145 19.690 1.00 1.00 H new ATOM 427 N ILE A 31 42.106 -0.458 19.246 1.00 1.00 N ATOM 428 CA ILE A 31 42.415 0.906 19.694 1.00 1.00 C ATOM 429 C ILE A 31 41.122 1.657 20.023 1.00 1.00 C ATOM 430 O ILE A 31 41.061 2.386 21.013 1.00 1.00 O ATOM 431 CB ILE A 31 43.238 1.679 18.630 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.666 1.909 19.158 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.599 3.044 18.294 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.659 2.906 20.324 1.00 1.00 C ATOM 0 H ILE A 31 41.132 -0.730 19.381 1.00 1.00 H new ATOM 0 HA ILE A 31 43.024 0.836 20.595 1.00 1.00 H new ATOM 0 HB ILE A 31 43.257 1.079 17.720 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.095 0.962 19.485 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.300 2.285 18.355 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.205 3.555 17.545 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.593 2.889 17.903 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.547 3.653 19.196 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.678 3.054 20.682 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.251 3.859 19.986 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.043 2.515 21.134 1.00 1.00 H new ATOM 446 N PRO A 32 40.096 1.505 19.217 1.00 1.00 N ATOM 447 CA PRO A 32 38.793 2.197 19.443 1.00 1.00 C ATOM 448 C PRO A 32 38.080 1.684 20.691 1.00 1.00 C ATOM 449 O PRO A 32 37.494 2.460 21.446 1.00 1.00 O ATOM 450 CB PRO A 32 37.972 1.890 18.181 1.00 1.00 C ATOM 451 CG PRO A 32 38.930 1.298 17.196 1.00 1.00 C ATOM 452 CD PRO A 32 40.051 0.666 18.013 1.00 1.00 C ATOM 0 HA PRO A 32 38.930 3.266 19.609 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.162 1.195 18.403 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.515 2.796 17.784 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.436 0.553 16.573 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.322 2.064 16.526 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.837 -0.375 18.254 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.999 0.680 17.476 1.00 1.00 H new ATOM 460 N ALA A 33 38.134 0.372 20.900 1.00 1.00 N ATOM 461 CA ALA A 33 37.490 -0.233 22.060 1.00 1.00 C ATOM 462 C ALA A 33 38.047 0.357 23.352 1.00 1.00 C ATOM 463 O ALA A 33 37.459 0.200 24.422 1.00 1.00 O ATOM 464 CB ALA A 33 37.712 -1.746 22.050 1.00 1.00 C ATOM 0 H ALA A 33 38.613 -0.287 20.287 1.00 1.00 H new ATOM 0 HA ALA A 33 36.422 -0.022 22.010 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.228 -2.191 22.920 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.286 -2.170 21.141 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.781 -1.957 22.082 1.00 1.00 H new ATOM 470 N ILE A 34 39.184 1.035 23.244 1.00 1.00 N ATOM 471 CA ILE A 34 39.812 1.645 24.411 1.00 1.00 C ATOM 472 C ILE A 34 39.507 3.139 24.461 1.00 1.00 C ATOM 473 O ILE A 34 39.507 3.747 25.532 1.00 1.00 O ATOM 474 CB ILE A 34 41.325 1.431 24.361 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.654 0.011 24.829 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.015 2.442 25.279 1.00 1.00 C ATOM 477 CD1 ILE A 34 40.956 -1.002 23.920 1.00 1.00 C ATOM 0 H ILE A 34 39.687 1.176 22.368 1.00 1.00 H new ATOM 0 HA ILE A 34 39.409 1.173 25.307 1.00 1.00 H new ATOM 0 HB ILE A 34 41.678 1.569 23.339 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.732 -0.149 24.809 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.330 -0.127 25.861 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.094 2.289 25.243 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.781 3.454 24.947 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.663 2.305 26.301 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.191 -2.013 24.254 1.00 1.00 H new ATOM 0 HD12 ILE A 34 39.878 -0.847 23.963 1.00 1.00 H new ATOM 0 HD13 ILE A 34 41.301 -0.869 22.895 1.00 1.00 H new ATOM 489 N TYR A 35 39.249 3.724 23.296 1.00 1.00 N ATOM 490 CA TYR A 35 38.945 5.147 23.218 1.00 1.00 C ATOM 491 C TYR A 35 37.534 5.423 23.729 1.00 1.00 C ATOM 492 O TYR A 35 37.318 6.344 24.516 1.00 1.00 O ATOM 493 CB TYR A 35 39.067 5.628 21.770 1.00 1.00 C ATOM 494 CG TYR A 35 39.966 6.841 21.717 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.502 8.076 22.183 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.262 6.729 21.199 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.334 9.201 22.133 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.094 7.854 21.148 1.00 1.00 C ATOM 499 CZ TYR A 35 41.631 9.090 21.616 1.00 1.00 C ATOM 500 OH TYR A 35 42.451 10.198 21.566 1.00 1.00 O ATOM 0 H TYR A 35 39.244 3.238 22.399 1.00 1.00 H new ATOM 0 HA TYR A 35 39.658 5.686 23.842 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.473 4.833 21.144 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.082 5.874 21.373 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.502 8.162 22.581 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.620 5.776 20.839 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.976 10.154 22.493 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.093 7.768 20.748 1.00 1.00 H new ATOM 0 HH TYR A 35 43.317 9.947 21.181 1.00 1.00 H new ATOM 510 N MET A 36 36.578 4.619 23.276 1.00 1.00 N ATOM 511 CA MET A 36 35.192 4.785 23.695 1.00 1.00 C ATOM 512 C MET A 36 35.016 4.357 25.148 1.00 1.00 C ATOM 513 O MET A 36 34.221 4.940 25.885 1.00 1.00 O ATOM 514 CB MET A 36 34.271 3.953 22.799 1.00 1.00 C ATOM 515 CG MET A 36 34.348 4.475 21.363 1.00 1.00 C ATOM 516 SD MET A 36 34.453 3.078 20.218 1.00 1.00 S ATOM 517 CE MET A 36 35.242 3.964 18.851 1.00 1.00 C ATOM 0 H MET A 36 36.736 3.851 22.623 1.00 1.00 H new ATOM 0 HA MET A 36 34.929 5.839 23.605 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.565 2.904 22.832 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.245 4.008 23.163 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.469 5.079 21.137 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.218 5.121 21.246 1.00 1.00 H new ATOM 0 HE1 MET A 36 35.259 3.327 17.967 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.680 4.872 18.633 1.00 1.00 H new ATOM 0 HE3 MET A 36 36.263 4.227 19.129 1.00 1.00 H new ATOM 527 N LEU A 37 35.762 3.334 25.553 1.00 1.00 N ATOM 528 CA LEU A 37 35.681 2.836 26.921 1.00 1.00 C ATOM 529 C LEU A 37 36.043 3.938 27.912 1.00 1.00 C ATOM 530 O LEU A 37 35.689 3.869 29.088 1.00 1.00 O ATOM 531 CB LEU A 37 36.635 1.651 27.102 1.00 1.00 C ATOM 532 CG LEU A 37 35.850 0.332 27.077 1.00 1.00 C ATOM 533 CD1 LEU A 37 34.961 0.227 28.319 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.979 0.280 25.819 1.00 1.00 C ATOM 0 H LEU A 37 36.425 2.837 24.958 1.00 1.00 H new ATOM 0 HA LEU A 37 34.658 2.512 27.112 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.383 1.653 26.310 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.171 1.746 28.047 1.00 1.00 H new ATOM 0 HG LEU A 37 36.553 -0.501 27.071 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.408 -0.712 28.292 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.582 0.257 29.214 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.259 1.061 28.336 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.421 -0.656 25.801 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.281 1.118 25.825 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.613 0.342 24.935 1.00 1.00 H new ATOM 546 N VAL A 38 36.750 4.954 27.425 1.00 1.00 N ATOM 547 CA VAL A 38 37.157 6.067 28.276 1.00 1.00 C ATOM 548 C VAL A 38 36.288 7.292 28.008 1.00 1.00 C ATOM 549 O VAL A 38 36.241 8.220 28.815 1.00 1.00 O ATOM 550 CB VAL A 38 38.624 6.414 28.014 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.038 7.586 28.905 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.498 5.199 28.331 1.00 1.00 C ATOM 0 H VAL A 38 37.051 5.029 26.453 1.00 1.00 H new ATOM 0 HA VAL A 38 37.034 5.768 29.317 1.00 1.00 H new ATOM 0 HB VAL A 38 38.751 6.691 26.968 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.083 7.833 28.719 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.415 8.452 28.681 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.912 7.310 29.952 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.544 5.444 28.145 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.371 4.923 29.378 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.203 4.363 27.697 1.00 1.00 H new ATOM 562 N PHE A 39 35.602 7.288 26.870 1.00 1.00 N ATOM 563 CA PHE A 39 34.738 8.405 26.507 1.00 1.00 C ATOM 564 C PHE A 39 33.416 8.328 27.263 1.00 1.00 C ATOM 565 O PHE A 39 33.126 9.172 28.112 1.00 1.00 O ATOM 566 CB PHE A 39 34.469 8.390 25.000 1.00 1.00 C ATOM 567 CG PHE A 39 34.224 9.800 24.519 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.035 10.457 24.853 1.00 1.00 C ATOM 569 CD2 PHE A 39 35.188 10.450 23.737 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.809 11.765 24.407 1.00 1.00 C ATOM 571 CE2 PHE A 39 34.961 11.758 23.291 1.00 1.00 C ATOM 572 CZ PHE A 39 33.772 12.415 23.626 1.00 1.00 C ATOM 0 H PHE A 39 35.627 6.530 26.188 1.00 1.00 H new ATOM 0 HA PHE A 39 35.243 9.333 26.776 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.319 7.957 24.472 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.604 7.764 24.780 1.00 1.00 H new ATOM 0 HD1 PHE A 39 32.291 9.956 25.455 1.00 1.00 H new ATOM 0 HD2 PHE A 39 36.106 9.943 23.478 1.00 1.00 H new ATOM 0 HE1 PHE A 39 31.891 12.273 24.666 1.00 1.00 H new ATOM 0 HE2 PHE A 39 35.704 12.260 22.688 1.00 1.00 H new ATOM 0 HZ PHE A 39 33.597 13.424 23.282 1.00 1.00 H new ATOM 582 N LEU A 40 32.618 7.313 26.949 1.00 1.00 N ATOM 583 CA LEU A 40 31.327 7.137 27.607 1.00 1.00 C ATOM 584 C LEU A 40 31.501 7.091 29.122 1.00 1.00 C ATOM 585 O LEU A 40 30.659 7.592 29.868 1.00 1.00 O ATOM 586 CB LEU A 40 30.665 5.844 27.125 1.00 1.00 C ATOM 587 CG LEU A 40 31.575 4.654 27.440 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.027 3.899 28.653 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.616 3.714 26.233 1.00 1.00 C ATOM 0 H LEU A 40 32.839 6.605 26.249 1.00 1.00 H new ATOM 0 HA LEU A 40 30.691 7.985 27.352 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.698 5.715 27.612 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.477 5.897 26.053 1.00 1.00 H new ATOM 0 HG LEU A 40 32.581 5.013 27.659 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.675 3.052 28.877 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.993 4.568 29.513 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.022 3.539 28.434 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.263 2.866 26.454 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.610 3.356 26.016 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.004 4.250 25.367 1.00 1.00 H new ATOM 601 N LEU A 41 32.598 6.489 29.571 1.00 1.00 N ATOM 602 CA LEU A 41 32.869 6.387 31.000 1.00 1.00 C ATOM 603 C LEU A 41 32.782 7.759 31.658 1.00 1.00 C ATOM 604 O LEU A 41 32.325 7.887 32.794 1.00 1.00 O ATOM 605 CB LEU A 41 34.262 5.796 31.226 1.00 1.00 C ATOM 606 CG LEU A 41 34.135 4.412 31.864 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.510 3.744 31.913 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.588 4.554 33.287 1.00 1.00 C ATOM 0 H LEU A 41 33.308 6.068 28.972 1.00 1.00 H new ATOM 0 HA LEU A 41 32.121 5.733 31.449 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.795 5.723 30.278 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.846 6.452 31.871 1.00 1.00 H new ATOM 0 HG LEU A 41 33.454 3.801 31.271 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.419 2.758 32.368 1.00 1.00 H new ATOM 0 HD12 LEU A 41 35.901 3.642 30.901 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.191 4.355 32.505 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.497 3.568 33.742 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.269 5.166 33.879 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.608 5.030 33.254 1.00 1.00 H new ATOM 620 N GLY A 42 33.221 8.784 30.934 1.00 1.00 N ATOM 621 CA GLY A 42 33.187 10.144 31.456 1.00 1.00 C ATOM 622 C GLY A 42 31.970 10.895 30.928 1.00 1.00 C ATOM 623 O GLY A 42 31.775 12.072 31.232 1.00 1.00 O ATOM 0 H GLY A 42 33.602 8.699 29.991 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.161 10.120 32.545 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.097 10.671 31.171 1.00 1.00 H new ATOM 627 N THR A 43 31.155 10.206 30.134 1.00 1.00 N ATOM 628 CA THR A 43 29.958 10.814 29.567 1.00 1.00 C ATOM 629 C THR A 43 28.769 9.867 29.691 1.00 1.00 C ATOM 630 O THR A 43 28.623 9.165 30.691 1.00 1.00 O ATOM 631 CB THR A 43 30.194 11.150 28.093 1.00 1.00 C ATOM 632 OG1 THR A 43 31.517 11.642 27.928 1.00 1.00 O ATOM 633 CG2 THR A 43 29.192 12.214 27.641 1.00 1.00 C ATOM 0 H THR A 43 31.301 9.232 29.870 1.00 1.00 H new ATOM 0 HA THR A 43 29.739 11.729 30.118 1.00 1.00 H new ATOM 0 HB THR A 43 30.061 10.252 27.490 1.00 1.00 H new ATOM 0 HG1 THR A 43 32.149 10.893 27.942 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.362 12.451 26.591 1.00 1.00 H new ATOM 0 HG22 THR A 43 28.178 11.836 27.768 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.321 13.114 28.242 1.00 1.00 H new ATOM 641 N THR A 44 27.920 9.856 28.669 1.00 1.00 N ATOM 642 CA THR A 44 26.744 8.993 28.670 1.00 1.00 C ATOM 643 C THR A 44 25.741 9.448 29.726 1.00 1.00 C ATOM 644 O THR A 44 24.607 8.971 29.761 1.00 1.00 O ATOM 645 CB THR A 44 27.155 7.548 28.954 1.00 1.00 C ATOM 646 OG1 THR A 44 28.559 7.415 28.785 1.00 1.00 O ATOM 647 CG2 THR A 44 26.430 6.609 27.989 1.00 1.00 C ATOM 0 H THR A 44 28.023 10.432 27.833 1.00 1.00 H new ATOM 0 HA THR A 44 26.276 9.055 27.687 1.00 1.00 H new ATOM 0 HB THR A 44 26.886 7.288 29.978 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.005 7.532 29.650 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.724 5.580 28.193 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.353 6.712 28.122 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.695 6.866 26.963 1.00 1.00 H new ATOM 655 N GLY A 45 26.167 10.368 30.584 1.00 1.00 N ATOM 656 CA GLY A 45 25.299 10.874 31.639 1.00 1.00 C ATOM 657 C GLY A 45 26.045 10.952 32.967 1.00 1.00 C ATOM 658 O GLY A 45 25.464 10.740 34.031 1.00 1.00 O ATOM 0 H GLY A 45 27.102 10.776 30.570 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.928 11.862 31.367 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.430 10.224 31.743 1.00 1.00 H new ATOM 662 N ASN A 46 27.339 11.254 32.895 1.00 1.00 N ATOM 663 CA ASN A 46 28.158 11.354 34.096 1.00 1.00 C ATOM 664 C ASN A 46 29.068 12.576 34.024 1.00 1.00 C ATOM 665 O ASN A 46 30.221 12.479 33.604 1.00 1.00 O ATOM 666 CB ASN A 46 29.007 10.091 34.254 1.00 1.00 C ATOM 667 CG ASN A 46 28.106 8.882 34.479 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.962 8.415 35.610 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.486 8.345 33.465 1.00 1.00 N ATOM 0 H ASN A 46 27.838 11.432 32.024 1.00 1.00 H new ATOM 0 HA ASN A 46 27.497 11.458 34.957 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.617 9.939 33.364 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.692 10.206 35.094 1.00 1.00 H new ATOM 0 HD21 ASN A 46 26.880 7.537 33.607 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.607 8.733 32.530 1.00 1.00 H new ATOM 676 N GLY A 47 28.542 13.724 34.437 1.00 1.00 N ATOM 677 CA GLY A 47 29.316 14.960 34.414 1.00 1.00 C ATOM 678 C GLY A 47 28.408 16.175 34.567 1.00 1.00 C ATOM 679 O GLY A 47 28.852 17.246 34.982 1.00 1.00 O ATOM 0 H GLY A 47 27.590 13.825 34.789 1.00 1.00 H new ATOM 0 HA2 GLY A 47 30.052 14.948 35.218 1.00 1.00 H new ATOM 0 HA3 GLY A 47 29.869 15.030 33.477 1.00 1.00 H new ATOM 683 N LEU A 48 27.134 16.001 34.231 1.00 1.00 N ATOM 684 CA LEU A 48 26.171 17.092 34.335 1.00 1.00 C ATOM 685 C LEU A 48 24.847 16.584 34.897 1.00 1.00 C ATOM 686 O LEU A 48 24.028 17.365 35.382 1.00 1.00 O ATOM 687 CB LEU A 48 25.937 17.716 32.958 1.00 1.00 C ATOM 688 CG LEU A 48 26.462 19.152 32.952 1.00 1.00 C ATOM 689 CD1 LEU A 48 26.384 19.718 31.533 1.00 1.00 C ATOM 690 CD2 LEU A 48 25.610 20.010 33.889 1.00 1.00 C ATOM 0 H LEU A 48 26.746 15.122 33.887 1.00 1.00 H new ATOM 0 HA LEU A 48 26.575 17.846 35.011 1.00 1.00 H new ATOM 0 HB2 LEU A 48 26.443 17.130 32.191 1.00 1.00 H new ATOM 0 HB3 LEU A 48 24.874 17.705 32.718 1.00 1.00 H new ATOM 0 HG LEU A 48 27.498 19.161 33.291 1.00 1.00 H new ATOM 0 HD11 LEU A 48 26.758 20.742 31.529 1.00 1.00 H new ATOM 0 HD12 LEU A 48 26.990 19.107 30.864 1.00 1.00 H new ATOM 0 HD13 LEU A 48 25.348 19.709 31.194 1.00 1.00 H new ATOM 0 HD21 LEU A 48 25.984 21.034 33.885 1.00 1.00 H new ATOM 0 HD22 LEU A 48 24.574 20.001 33.550 1.00 1.00 H new ATOM 0 HD23 LEU A 48 25.664 19.608 34.901 1.00 1.00 H new ATOM 702 N VAL A 49 24.644 15.273 34.829 1.00 1.00 N ATOM 703 CA VAL A 49 23.414 14.672 35.334 1.00 1.00 C ATOM 704 C VAL A 49 23.496 14.476 36.845 1.00 1.00 C ATOM 705 O VAL A 49 22.473 14.405 37.527 1.00 1.00 O ATOM 706 CB VAL A 49 23.174 13.324 34.655 1.00 1.00 C ATOM 707 CG1 VAL A 49 21.726 12.889 34.880 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.438 13.457 33.153 1.00 1.00 C ATOM 0 H VAL A 49 25.310 14.610 34.432 1.00 1.00 H new ATOM 0 HA VAL A 49 22.585 15.343 35.110 1.00 1.00 H new ATOM 0 HB VAL A 49 23.847 12.579 35.079 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.555 11.928 34.396 1.00 1.00 H new ATOM 0 HG12 VAL A 49 21.536 12.795 35.949 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.052 13.634 34.456 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.267 12.496 32.667 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.765 14.202 32.730 1.00 1.00 H new ATOM 0 HG23 VAL A 49 24.470 13.767 32.991 1.00 1.00 H new ATOM 718 N LEU A 50 24.717 14.387 37.360 1.00 1.00 N ATOM 719 CA LEU A 50 24.920 14.197 38.792 1.00 1.00 C ATOM 720 C LEU A 50 25.211 15.529 39.474 1.00 1.00 C ATOM 721 O LEU A 50 25.518 15.575 40.665 1.00 1.00 O ATOM 722 CB LEU A 50 26.082 13.230 39.038 1.00 1.00 C ATOM 723 CG LEU A 50 27.154 13.419 37.960 1.00 1.00 C ATOM 724 CD1 LEU A 50 27.610 14.879 37.939 1.00 1.00 C ATOM 725 CD2 LEU A 50 28.350 12.518 38.273 1.00 1.00 C ATOM 0 H LEU A 50 25.576 14.443 36.812 1.00 1.00 H new ATOM 0 HA LEU A 50 24.007 13.777 39.213 1.00 1.00 H new ATOM 0 HB2 LEU A 50 26.511 13.406 40.025 1.00 1.00 H new ATOM 0 HB3 LEU A 50 25.720 12.202 39.027 1.00 1.00 H new ATOM 0 HG LEU A 50 26.740 13.156 36.987 1.00 1.00 H new ATOM 0 HD11 LEU A 50 28.373 15.011 37.171 1.00 1.00 H new ATOM 0 HD12 LEU A 50 26.759 15.523 37.719 1.00 1.00 H new ATOM 0 HD13 LEU A 50 28.024 15.145 38.912 1.00 1.00 H new ATOM 0 HD21 LEU A 50 29.115 12.650 37.508 1.00 1.00 H new ATOM 0 HD22 LEU A 50 28.761 12.784 39.247 1.00 1.00 H new ATOM 0 HD23 LEU A 50 28.027 11.477 38.288 1.00 1.00 H new ATOM 737 N TRP A 51 25.115 16.613 38.710 1.00 1.00 N ATOM 738 CA TRP A 51 25.370 17.943 39.252 1.00 1.00 C ATOM 739 C TRP A 51 24.073 18.581 39.739 1.00 1.00 C ATOM 740 O TRP A 51 24.077 19.372 40.684 1.00 1.00 O ATOM 741 CB TRP A 51 26.005 18.830 38.180 1.00 1.00 C ATOM 742 CG TRP A 51 25.182 20.064 38.002 1.00 1.00 C ATOM 743 CD1 TRP A 51 24.028 20.134 37.298 1.00 1.00 C ATOM 744 CD2 TRP A 51 25.426 21.404 38.521 1.00 1.00 C ATOM 745 NE1 TRP A 51 23.549 21.431 37.352 1.00 1.00 N ATOM 746 CE2 TRP A 51 24.376 22.251 38.094 1.00 1.00 C ATOM 747 CE3 TRP A 51 26.448 21.961 39.311 1.00 1.00 C ATOM 748 CZ2 TRP A 51 24.340 23.603 38.440 1.00 1.00 C ATOM 749 CZ3 TRP A 51 26.415 23.321 39.662 1.00 1.00 C ATOM 750 CH2 TRP A 51 25.363 24.140 39.227 1.00 1.00 C ATOM 0 H TRP A 51 24.864 16.597 37.721 1.00 1.00 H new ATOM 0 HA TRP A 51 26.053 17.846 40.096 1.00 1.00 H new ATOM 0 HB2 TRP A 51 27.022 19.097 38.469 1.00 1.00 H new ATOM 0 HB3 TRP A 51 26.074 18.287 37.237 1.00 1.00 H new ATOM 0 HD1 TRP A 51 23.558 19.312 36.779 1.00 1.00 H new ATOM 0 HE1 TRP A 51 22.690 21.743 36.899 1.00 1.00 H new ATOM 0 HE3 TRP A 51 27.263 21.339 39.650 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 23.528 24.229 38.102 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 27.204 23.738 40.270 1.00 1.00 H new ATOM 0 HH2 TRP A 51 25.343 25.185 39.500 1.00 1.00 H new ATOM 761 N THR A 52 22.967 18.233 39.091 1.00 1.00 N ATOM 762 CA THR A 52 21.669 18.779 39.468 1.00 1.00 C ATOM 763 C THR A 52 21.076 17.995 40.635 1.00 1.00 C ATOM 764 O THR A 52 20.322 18.540 41.441 1.00 1.00 O ATOM 765 CB THR A 52 20.712 18.721 38.275 1.00 1.00 C ATOM 766 OG1 THR A 52 20.966 19.822 37.413 1.00 1.00 O ATOM 767 CG2 THR A 52 19.267 18.784 38.773 1.00 1.00 C ATOM 0 H THR A 52 22.943 17.580 38.308 1.00 1.00 H new ATOM 0 HA THR A 52 21.807 19.816 39.774 1.00 1.00 H new ATOM 0 HB THR A 52 20.865 17.789 37.731 1.00 1.00 H new ATOM 0 HG1 THR A 52 21.924 20.027 37.418 1.00 1.00 H new ATOM 0 HG21 THR A 52 18.587 18.743 37.922 1.00 1.00 H new ATOM 0 HG22 THR A 52 19.073 17.939 39.434 1.00 1.00 H new ATOM 0 HG23 THR A 52 19.110 19.715 39.318 1.00 1.00 H new ATOM 775 N VAL A 53 21.424 16.715 40.719 1.00 1.00 N ATOM 776 CA VAL A 53 20.921 15.866 41.793 1.00 1.00 C ATOM 777 C VAL A 53 21.346 16.412 43.152 1.00 1.00 C ATOM 778 O VAL A 53 20.546 16.475 44.085 1.00 1.00 O ATOM 779 CB VAL A 53 21.452 14.442 41.624 1.00 1.00 C ATOM 780 CG1 VAL A 53 21.139 13.628 42.880 1.00 1.00 C ATOM 781 CG2 VAL A 53 20.779 13.788 40.414 1.00 1.00 C ATOM 0 H VAL A 53 22.047 16.246 40.062 1.00 1.00 H new ATOM 0 HA VAL A 53 19.832 15.856 41.743 1.00 1.00 H new ATOM 0 HB VAL A 53 22.531 14.473 41.470 1.00 1.00 H new ATOM 0 HG11 VAL A 53 21.518 12.613 42.759 1.00 1.00 H new ATOM 0 HG12 VAL A 53 21.616 14.093 43.743 1.00 1.00 H new ATOM 0 HG13 VAL A 53 20.060 13.597 43.034 1.00 1.00 H new ATOM 0 HG21 VAL A 53 21.157 12.773 40.292 1.00 1.00 H new ATOM 0 HG22 VAL A 53 19.701 13.758 40.570 1.00 1.00 H new ATOM 0 HG23 VAL A 53 21.000 14.367 39.518 1.00 1.00 H new ATOM 791 N PHE A 54 22.612 16.805 43.256 1.00 1.00 N ATOM 792 CA PHE A 54 23.133 17.344 44.507 1.00 1.00 C ATOM 793 C PHE A 54 22.543 18.723 44.784 1.00 1.00 C ATOM 794 O PHE A 54 22.554 19.198 45.920 1.00 1.00 O ATOM 795 CB PHE A 54 24.658 17.445 44.437 1.00 1.00 C ATOM 796 CG PHE A 54 25.096 18.806 44.923 1.00 1.00 C ATOM 797 CD1 PHE A 54 25.150 19.075 46.296 1.00 1.00 C ATOM 798 CD2 PHE A 54 25.449 19.798 44.001 1.00 1.00 C ATOM 799 CE1 PHE A 54 25.556 20.336 46.746 1.00 1.00 C ATOM 800 CE2 PHE A 54 25.855 21.060 44.451 1.00 1.00 C ATOM 801 CZ PHE A 54 25.909 21.328 45.824 1.00 1.00 C ATOM 0 H PHE A 54 23.291 16.761 42.496 1.00 1.00 H new ATOM 0 HA PHE A 54 22.850 16.671 45.316 1.00 1.00 H new ATOM 0 HB2 PHE A 54 25.113 16.665 45.048 1.00 1.00 H new ATOM 0 HB3 PHE A 54 24.997 17.286 43.413 1.00 1.00 H new ATOM 0 HD1 PHE A 54 24.878 18.309 47.008 1.00 1.00 H new ATOM 0 HD2 PHE A 54 25.408 19.590 42.942 1.00 1.00 H new ATOM 0 HE1 PHE A 54 25.597 20.544 47.805 1.00 1.00 H new ATOM 0 HE2 PHE A 54 26.126 21.826 43.740 1.00 1.00 H new ATOM 0 HZ PHE A 54 26.223 22.301 46.172 1.00 1.00 H new ATOM 811 N ARG A 55 22.027 19.362 43.738 1.00 1.00 N ATOM 812 CA ARG A 55 21.434 20.686 43.881 1.00 1.00 C ATOM 813 C ARG A 55 20.000 20.579 44.388 1.00 1.00 C ATOM 814 O ARG A 55 19.660 21.131 45.435 1.00 1.00 O ATOM 815 CB ARG A 55 21.448 21.412 42.533 1.00 1.00 C ATOM 816 CG ARG A 55 22.890 21.745 42.147 1.00 1.00 C ATOM 817 CD ARG A 55 23.171 23.218 42.445 1.00 1.00 C ATOM 818 NE ARG A 55 22.637 23.580 43.753 1.00 1.00 N ATOM 819 CZ ARG A 55 23.081 24.650 44.404 1.00 1.00 C ATOM 820 NH1 ARG A 55 24.009 25.398 43.875 1.00 1.00 N ATOM 821 NH2 ARG A 55 22.585 24.953 45.573 1.00 1.00 N ATOM 0 H ARG A 55 22.008 18.987 42.789 1.00 1.00 H new ATOM 0 HA ARG A 55 22.022 21.251 44.605 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.990 20.787 41.766 1.00 1.00 H new ATOM 0 HB3 ARG A 55 20.857 22.326 42.594 1.00 1.00 H new ATOM 0 HG2 ARG A 55 23.582 21.112 42.703 1.00 1.00 H new ATOM 0 HG3 ARG A 55 23.051 21.540 41.089 1.00 1.00 H new ATOM 0 HD2 ARG A 55 24.245 23.403 42.419 1.00 1.00 H new ATOM 0 HD3 ARG A 55 22.721 23.844 41.675 1.00 1.00 H new ATOM 0 HE ARG A 55 21.910 23.002 44.175 1.00 1.00 H new ATOM 0 HH11 ARG A 55 24.395 25.162 42.961 1.00 1.00 H new ATOM 0 HH12 ARG A 55 24.349 26.219 44.375 1.00 1.00 H new ATOM 0 HH21 ARG A 55 21.858 24.369 45.985 1.00 1.00 H new ATOM 0 HH22 ARG A 55 22.925 25.774 46.074 1.00 1.00 H new ATOM 835 N LYS A 56 19.164 19.867 43.641 1.00 1.00 N ATOM 836 CA LYS A 56 17.768 19.695 44.026 1.00 1.00 C ATOM 837 C LYS A 56 17.665 19.227 45.474 1.00 1.00 C ATOM 838 O LYS A 56 16.943 19.817 46.278 1.00 1.00 O ATOM 839 CB LYS A 56 17.095 18.673 43.108 1.00 1.00 C ATOM 840 CG LYS A 56 17.329 19.066 41.648 1.00 1.00 C ATOM 841 CD LYS A 56 15.983 19.215 40.936 1.00 1.00 C ATOM 842 CE LYS A 56 16.217 19.457 39.445 1.00 1.00 C ATOM 843 NZ LYS A 56 14.945 19.899 38.807 1.00 1.00 N ATOM 0 H LYS A 56 19.426 19.402 42.771 1.00 1.00 H new ATOM 0 HA LYS A 56 17.263 20.656 43.930 1.00 1.00 H new ATOM 0 HB2 LYS A 56 17.498 17.678 43.297 1.00 1.00 H new ATOM 0 HB3 LYS A 56 16.026 18.629 43.317 1.00 1.00 H new ATOM 0 HG2 LYS A 56 17.885 20.002 41.597 1.00 1.00 H new ATOM 0 HG3 LYS A 56 17.934 18.309 41.149 1.00 1.00 H new ATOM 0 HD2 LYS A 56 15.383 18.317 41.079 1.00 1.00 H new ATOM 0 HD3 LYS A 56 15.422 20.045 41.366 1.00 1.00 H new ATOM 0 HE2 LYS A 56 16.988 20.214 39.305 1.00 1.00 H new ATOM 0 HE3 LYS A 56 16.577 18.544 38.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 15.104 20.064 37.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 14.221 19.162 38.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 14.620 20.780 39.254 1.00 1.00 H new ATOM 857 N LYS A 57 18.392 18.162 45.799 1.00 1.00 N ATOM 858 CA LYS A 57 18.374 17.623 47.154 1.00 1.00 C ATOM 859 C LYS A 57 19.117 18.551 48.110 1.00 1.00 C ATOM 860 O LYS A 57 20.087 18.149 48.753 1.00 1.00 O ATOM 861 CB LYS A 57 19.026 16.238 47.174 1.00 1.00 C ATOM 862 CG LYS A 57 18.028 15.197 46.664 1.00 1.00 C ATOM 863 CD LYS A 57 17.499 15.625 45.293 1.00 1.00 C ATOM 864 CE LYS A 57 16.846 14.427 44.601 1.00 1.00 C ATOM 865 NZ LYS A 57 15.839 13.815 45.513 1.00 1.00 N ATOM 0 H LYS A 57 18.996 17.659 45.149 1.00 1.00 H new ATOM 0 HA LYS A 57 17.337 17.541 47.478 1.00 1.00 H new ATOM 0 HB2 LYS A 57 19.920 16.236 46.551 1.00 1.00 H new ATOM 0 HB3 LYS A 57 19.343 15.988 48.187 1.00 1.00 H new ATOM 0 HG2 LYS A 57 18.509 14.222 46.592 1.00 1.00 H new ATOM 0 HG3 LYS A 57 17.202 15.094 47.368 1.00 1.00 H new ATOM 0 HD2 LYS A 57 16.775 16.432 45.406 1.00 1.00 H new ATOM 0 HD3 LYS A 57 18.314 16.012 44.681 1.00 1.00 H new ATOM 0 HE2 LYS A 57 16.368 14.745 43.675 1.00 1.00 H new ATOM 0 HE3 LYS A 57 17.604 13.691 44.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 15.191 13.216 44.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 16.324 13.236 46.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 15.297 14.566 45.986 1.00 1.00 H new ATOM 879 N GLY A 58 18.656 19.794 48.199 1.00 1.00 N ATOM 880 CA GLY A 58 19.285 20.771 49.079 1.00 1.00 C ATOM 881 C GLY A 58 18.952 20.482 50.539 1.00 1.00 C ATOM 882 O GLY A 58 18.791 21.400 51.342 1.00 1.00 O ATOM 0 H GLY A 58 17.854 20.147 47.676 1.00 1.00 H new ATOM 0 HA2 GLY A 58 20.366 20.751 48.937 1.00 1.00 H new ATOM 0 HA3 GLY A 58 18.947 21.774 48.816 1.00 1.00 H new ATOM 886 N HIS A 59 18.852 19.200 50.875 1.00 1.00 N ATOM 887 CA HIS A 59 18.538 18.802 52.242 1.00 1.00 C ATOM 888 C HIS A 59 19.803 18.374 52.979 1.00 1.00 C ATOM 889 O HIS A 59 20.091 18.863 54.071 1.00 1.00 O ATOM 890 CB HIS A 59 17.536 17.646 52.232 1.00 1.00 C ATOM 891 CG HIS A 59 16.371 18.000 51.349 1.00 1.00 C ATOM 892 ND1 HIS A 59 15.800 19.262 51.349 1.00 1.00 N ATOM 893 CD2 HIS A 59 15.659 17.267 50.431 1.00 1.00 C ATOM 894 CE1 HIS A 59 14.792 19.252 50.459 1.00 1.00 C ATOM 895 NE2 HIS A 59 14.663 18.060 49.870 1.00 1.00 N ATOM 0 H HIS A 59 18.983 18.425 50.225 1.00 1.00 H new ATOM 0 HA HIS A 59 18.101 19.657 52.758 1.00 1.00 H new ATOM 0 HB2 HIS A 59 18.017 16.737 51.871 1.00 1.00 H new ATOM 0 HB3 HIS A 59 17.189 17.442 53.245 1.00 1.00 H new ATOM 0 HD2 HIS A 59 15.844 16.232 50.183 1.00 1.00 H new ATOM 0 HE1 HIS A 59 14.163 20.104 50.246 1.00 1.00 H new ATOM 0 HE2 HIS A 59 13.981 17.789 49.161 1.00 1.00 H new ATOM 903 N HIS A 60 20.554 17.460 52.374 1.00 1.00 N ATOM 904 CA HIS A 60 21.787 16.974 52.981 1.00 1.00 C ATOM 905 C HIS A 60 21.599 16.756 54.479 1.00 1.00 C ATOM 906 O HIS A 60 22.555 16.827 55.252 1.00 1.00 O ATOM 907 CB HIS A 60 22.916 17.981 52.748 1.00 1.00 C ATOM 908 CG HIS A 60 22.752 19.144 53.686 1.00 1.00 C ATOM 909 ND1 HIS A 60 21.968 20.244 53.371 1.00 1.00 N ATOM 910 CD2 HIS A 60 23.265 19.395 54.935 1.00 1.00 C ATOM 911 CE1 HIS A 60 22.032 21.097 54.408 1.00 1.00 C ATOM 912 NE2 HIS A 60 22.808 20.629 55.389 1.00 1.00 N ATOM 0 H HIS A 60 20.332 17.043 51.470 1.00 1.00 H new ATOM 0 HA HIS A 60 22.047 16.022 52.517 1.00 1.00 H new ATOM 0 HB2 HIS A 60 23.883 17.504 52.909 1.00 1.00 H new ATOM 0 HB3 HIS A 60 22.900 18.328 51.715 1.00 1.00 H new ATOM 0 HD2 HIS A 60 23.923 18.735 55.482 1.00 1.00 H new ATOM 0 HE1 HIS A 60 21.518 22.046 54.444 1.00 1.00 H new ATOM 0 HE2 HIS A 60 23.020 21.079 56.279 1.00 1.00 H new ATOM 920 N HIS A 61 20.361 16.490 54.882 1.00 1.00 N ATOM 921 CA HIS A 61 20.059 16.263 56.291 1.00 1.00 C ATOM 922 C HIS A 61 20.828 15.055 56.816 1.00 1.00 C ATOM 923 O HIS A 61 20.737 14.714 57.994 1.00 1.00 O ATOM 924 CB HIS A 61 18.557 16.033 56.472 1.00 1.00 C ATOM 925 CG HIS A 61 17.919 17.284 57.011 1.00 1.00 C ATOM 926 ND1 HIS A 61 16.854 17.248 57.897 1.00 1.00 N ATOM 927 CD2 HIS A 61 18.185 18.614 56.798 1.00 1.00 C ATOM 928 CE1 HIS A 61 16.521 18.520 58.183 1.00 1.00 C ATOM 929 NE2 HIS A 61 17.300 19.393 57.539 1.00 1.00 N ATOM 0 H HIS A 61 19.556 16.427 54.259 1.00 1.00 H new ATOM 0 HA HIS A 61 20.362 17.145 56.855 1.00 1.00 H new ATOM 0 HB2 HIS A 61 18.102 15.762 55.519 1.00 1.00 H new ATOM 0 HB3 HIS A 61 18.385 15.201 57.155 1.00 1.00 H new ATOM 0 HD2 HIS A 61 18.962 18.998 56.154 1.00 1.00 H new ATOM 0 HE1 HIS A 61 15.721 18.801 58.852 1.00 1.00 H new ATOM 0 HE2 HIS A 61 17.256 20.411 57.581 1.00 1.00 H new ATOM 937 N HIS A 62 21.585 14.412 55.932 1.00 1.00 N ATOM 938 CA HIS A 62 22.365 13.242 56.318 1.00 1.00 C ATOM 939 C HIS A 62 21.538 12.312 57.198 1.00 1.00 C ATOM 940 O HIS A 62 20.307 12.336 57.159 1.00 1.00 O ATOM 941 CB HIS A 62 23.622 13.680 57.074 1.00 1.00 C ATOM 942 CG HIS A 62 24.760 12.759 56.729 1.00 1.00 C ATOM 943 ND1 HIS A 62 25.127 11.699 57.543 1.00 1.00 N ATOM 944 CD2 HIS A 62 25.623 12.727 55.662 1.00 1.00 C ATOM 945 CE1 HIS A 62 26.168 11.080 56.959 1.00 1.00 C ATOM 946 NE2 HIS A 62 26.511 11.666 55.809 1.00 1.00 N ATOM 0 H HIS A 62 21.674 14.679 54.952 1.00 1.00 H new ATOM 0 HA HIS A 62 22.652 12.706 55.414 1.00 1.00 H new ATOM 0 HB2 HIS A 62 23.878 14.706 56.812 1.00 1.00 H new ATOM 0 HB3 HIS A 62 23.438 13.662 58.148 1.00 1.00 H new ATOM 0 HD2 HIS A 62 25.614 13.420 54.834 1.00 1.00 H new ATOM 0 HE1 HIS A 62 26.666 10.214 57.370 1.00 1.00 H new ATOM 0 HE2 HIS A 62 27.262 11.394 55.175 1.00 1.00 H new ATOM 954 N HIS A 63 22.220 11.492 57.991 1.00 1.00 N ATOM 955 CA HIS A 63 21.537 10.557 58.877 1.00 1.00 C ATOM 956 C HIS A 63 20.460 11.274 59.684 1.00 1.00 C ATOM 957 O HIS A 63 20.628 12.429 60.075 1.00 1.00 O ATOM 958 CB HIS A 63 22.544 9.909 59.829 1.00 1.00 C ATOM 959 CG HIS A 63 23.125 8.681 59.185 1.00 1.00 C ATOM 960 ND1 HIS A 63 24.426 8.642 58.707 1.00 1.00 N ATOM 961 CD2 HIS A 63 22.595 7.440 58.931 1.00 1.00 C ATOM 962 CE1 HIS A 63 24.633 7.414 58.196 1.00 1.00 C ATOM 963 NE2 HIS A 63 23.549 6.642 58.307 1.00 1.00 N ATOM 0 H HIS A 63 23.238 11.456 58.038 1.00 1.00 H new ATOM 0 HA HIS A 63 21.066 9.786 58.267 1.00 1.00 H new ATOM 0 HB2 HIS A 63 23.338 10.616 60.071 1.00 1.00 H new ATOM 0 HB3 HIS A 63 22.056 9.644 60.767 1.00 1.00 H new ATOM 0 HD2 HIS A 63 21.590 7.130 59.178 1.00 1.00 H new ATOM 0 HE1 HIS A 63 25.563 7.092 57.750 1.00 1.00 H new ATOM 0 HE2 HIS A 63 23.443 5.675 58.000 1.00 1.00 H new ATOM 971 N HIS A 64 19.353 10.581 59.930 1.00 1.00 N ATOM 972 CA HIS A 64 18.253 11.162 60.692 1.00 1.00 C ATOM 973 C HIS A 64 18.732 11.609 62.070 1.00 1.00 C ATOM 974 O HIS A 64 19.869 11.316 62.403 1.00 1.00 O ATOM 975 CB HIS A 64 17.128 10.137 60.849 1.00 1.00 C ATOM 976 CG HIS A 64 17.318 9.376 62.132 1.00 1.00 C ATOM 977 ND1 HIS A 64 16.616 9.686 63.287 1.00 1.00 N ATOM 978 CD2 HIS A 64 18.127 8.316 62.459 1.00 1.00 C ATOM 979 CE1 HIS A 64 17.012 8.828 64.244 1.00 1.00 C ATOM 980 NE2 HIS A 64 17.931 7.972 63.794 1.00 1.00 N ATOM 981 OXT HIS A 64 17.956 12.236 62.770 1.00 1.00 O ATOM 0 H HIS A 64 19.194 9.624 59.616 1.00 1.00 H new ATOM 0 HA HIS A 64 17.880 12.031 60.150 1.00 1.00 H new ATOM 0 HB2 HIS A 64 16.161 10.640 60.852 1.00 1.00 H new ATOM 0 HB3 HIS A 64 17.127 9.450 60.003 1.00 1.00 H new ATOM 0 HD2 HIS A 64 18.811 7.824 61.784 1.00 1.00 H new ATOM 0 HE1 HIS A 64 16.632 8.832 65.255 1.00 1.00 H new ATOM 0 HE2 HIS A 64 18.391 7.226 64.316 1.00 1.00 H new TER 989 HIS A 64