USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 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 Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -31:sc= -5.67! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 16:sc= 0.362! USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0131) USER MOD Single : A 71 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-2.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -5.89! C(o=-5.9!,f=-13!) USER MOD Single : A 88 GLN : amide:sc= -3.66! C(o=-3.7!,f=-6.1!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.38) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -5.700 -0.225 -0.039 1.00 0.00 N ATOM 2 CA MET A 23 -4.676 0.408 0.774 1.00 0.00 C ATOM 3 C MET A 23 -3.409 0.668 -0.043 1.00 0.00 C ATOM 4 O MET A 23 -2.374 0.045 0.193 1.00 0.00 O ATOM 5 CB MET A 23 -4.340 -0.492 1.965 1.00 0.00 C ATOM 6 CG MET A 23 -3.712 0.315 3.103 1.00 0.00 C ATOM 7 SD MET A 23 -4.182 -0.382 4.677 1.00 0.00 S ATOM 8 CE MET A 23 -3.087 -1.791 4.732 1.00 0.00 C ATOM 0 HA MET A 23 -5.060 1.365 1.127 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.245 -0.984 2.320 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.653 -1.277 1.649 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.626 0.314 3.005 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.036 1.354 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.250 -2.343 5.658 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.289 -2.442 3.881 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.053 -1.450 4.690 1.00 0.00 H new ATOM 18 N SER A 24 -3.531 1.588 -0.989 1.00 0.00 N ATOM 19 CA SER A 24 -2.409 1.937 -1.843 1.00 0.00 C ATOM 20 C SER A 24 -2.049 3.412 -1.657 1.00 0.00 C ATOM 21 O SER A 24 -2.723 4.292 -2.191 1.00 0.00 O ATOM 22 CB SER A 24 -2.724 1.649 -3.312 1.00 0.00 C ATOM 23 OG SER A 24 -3.036 0.276 -3.532 1.00 0.00 O ATOM 0 H SER A 24 -4.390 2.102 -1.183 1.00 0.00 H new ATOM 0 HA SER A 24 -1.556 1.322 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.563 2.267 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.870 1.930 -3.928 1.00 0.00 H new ATOM 0 HG SER A 24 -3.233 0.133 -4.481 1.00 0.00 H new ATOM 29 N ILE A 25 -0.986 3.638 -0.898 1.00 0.00 N ATOM 30 CA ILE A 25 -0.529 4.992 -0.635 1.00 0.00 C ATOM 31 C ILE A 25 -0.298 5.715 -1.963 1.00 0.00 C ATOM 32 O ILE A 25 0.458 5.240 -2.809 1.00 0.00 O ATOM 33 CB ILE A 25 0.699 4.975 0.278 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.828 4.145 -0.338 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.332 4.490 1.682 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.738 5.017 -1.206 1.00 0.00 C ATOM 0 H ILE A 25 -0.429 2.906 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.292 5.553 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 25 1.066 5.997 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.414 3.677 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.406 3.341 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.223 4.487 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.415 5.156 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.074 3.480 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.532 4.403 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.154 5.464 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.177 5.805 -0.595 1.00 0.00 H new ATOM 48 N GLU A 26 -0.963 6.852 -2.105 1.00 0.00 N ATOM 49 CA GLU A 26 -0.840 7.645 -3.317 1.00 0.00 C ATOM 50 C GLU A 26 0.069 8.851 -3.071 1.00 0.00 C ATOM 51 O GLU A 26 0.294 9.240 -1.926 1.00 0.00 O ATOM 52 CB GLU A 26 -2.214 8.087 -3.824 1.00 0.00 C ATOM 53 CG GLU A 26 -2.216 8.229 -5.348 1.00 0.00 C ATOM 54 CD GLU A 26 -1.731 6.942 -6.019 1.00 0.00 C ATOM 55 OE1 GLU A 26 -0.906 7.063 -6.950 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.197 5.866 -5.585 1.00 0.00 O ATOM 0 H GLU A 26 -1.589 7.243 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.387 7.025 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.968 7.360 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.486 9.038 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.222 8.467 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.574 9.060 -5.640 1.00 0.00 H new ATOM 63 N ILE A 27 0.566 9.409 -4.165 1.00 0.00 N ATOM 64 CA ILE A 27 1.445 10.563 -4.083 1.00 0.00 C ATOM 65 C ILE A 27 0.876 11.694 -4.942 1.00 0.00 C ATOM 66 O ILE A 27 0.114 11.447 -5.875 1.00 0.00 O ATOM 67 CB ILE A 27 2.878 10.173 -4.450 1.00 0.00 C ATOM 68 CG1 ILE A 27 2.919 9.440 -5.793 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.528 9.356 -3.331 1.00 0.00 C ATOM 70 CD1 ILE A 27 2.461 10.354 -6.931 1.00 0.00 C ATOM 0 H ILE A 27 0.377 9.083 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 27 1.493 10.933 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 27 3.463 11.086 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.932 9.089 -5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.279 8.559 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.546 9.092 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.551 9.947 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.951 8.447 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.500 9.808 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.439 10.683 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.118 11.222 -6.987 1.00 0.00 H new ATOM 82 N ASP A 28 1.269 12.912 -4.596 1.00 0.00 N ATOM 83 CA ASP A 28 0.807 14.082 -5.324 1.00 0.00 C ATOM 84 C ASP A 28 2.002 14.985 -5.638 1.00 0.00 C ATOM 85 O ASP A 28 2.360 15.848 -4.838 1.00 0.00 O ATOM 86 CB ASP A 28 -0.190 14.890 -4.492 1.00 0.00 C ATOM 87 CG ASP A 28 -1.576 15.051 -5.121 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.551 14.634 -4.460 1.00 0.00 O ATOM 89 OD2 ASP A 28 -1.628 15.586 -6.249 1.00 0.00 O ATOM 0 H ASP A 28 1.902 13.114 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 28 0.321 13.741 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.302 14.410 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.228 15.880 -4.312 1.00 0.00 H new ATOM 94 N SER A 29 2.585 14.756 -6.806 1.00 0.00 N ATOM 95 CA SER A 29 3.732 15.538 -7.235 1.00 0.00 C ATOM 96 C SER A 29 3.284 16.946 -7.635 1.00 0.00 C ATOM 97 O SER A 29 3.901 17.933 -7.237 1.00 0.00 O ATOM 98 CB SER A 29 4.455 14.860 -8.401 1.00 0.00 C ATOM 99 OG SER A 29 3.555 14.470 -9.434 1.00 0.00 O ATOM 0 H SER A 29 2.285 14.040 -7.468 1.00 0.00 H new ATOM 0 HA SER A 29 4.430 15.608 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.202 15.541 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.989 13.983 -8.035 1.00 0.00 H new ATOM 0 HG SER A 29 4.056 14.043 -10.160 1.00 0.00 H new ATOM 105 N GLU A 30 2.216 16.993 -8.417 1.00 0.00 N ATOM 106 CA GLU A 30 1.679 18.263 -8.875 1.00 0.00 C ATOM 107 C GLU A 30 1.389 19.177 -7.683 1.00 0.00 C ATOM 108 O GLU A 30 1.819 20.329 -7.660 1.00 0.00 O ATOM 109 CB GLU A 30 0.424 18.054 -9.725 1.00 0.00 C ATOM 110 CG GLU A 30 0.436 18.964 -10.955 1.00 0.00 C ATOM 111 CD GLU A 30 -0.880 19.734 -11.079 1.00 0.00 C ATOM 112 OE1 GLU A 30 -0.985 20.789 -10.417 1.00 0.00 O ATOM 113 OE2 GLU A 30 -1.751 19.251 -11.834 1.00 0.00 O ATOM 0 H GLU A 30 1.708 16.172 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 30 2.427 18.746 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.363 17.012 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.463 18.258 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.267 19.666 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.598 18.367 -11.852 1.00 0.00 H new ATOM 120 N GLN A 31 0.660 18.629 -6.722 1.00 0.00 N ATOM 121 CA GLN A 31 0.307 19.381 -5.530 1.00 0.00 C ATOM 122 C GLN A 31 1.477 19.394 -4.545 1.00 0.00 C ATOM 123 O GLN A 31 1.640 20.345 -3.782 1.00 0.00 O ATOM 124 CB GLN A 31 -0.954 18.811 -4.876 1.00 0.00 C ATOM 125 CG GLN A 31 -2.175 19.677 -5.193 1.00 0.00 C ATOM 126 CD GLN A 31 -2.640 20.444 -3.954 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.435 21.639 -3.819 1.00 0.00 O ATOM 128 NE2 GLN A 31 -3.277 19.692 -3.060 1.00 0.00 N ATOM 0 H GLN A 31 0.304 17.673 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 31 0.092 20.409 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.123 17.794 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.814 18.754 -3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.930 20.380 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.986 19.048 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.415 18.697 -3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.628 20.111 -2.199 1.00 0.00 H new ATOM 137 N GLY A 32 2.262 18.327 -4.593 1.00 0.00 N ATOM 138 CA GLY A 32 3.412 18.205 -3.714 1.00 0.00 C ATOM 139 C GLY A 32 2.994 17.699 -2.331 1.00 0.00 C ATOM 140 O GLY A 32 3.432 18.233 -1.313 1.00 0.00 O ATOM 0 H GLY A 32 2.124 17.540 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.138 17.520 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.905 19.172 -3.618 1.00 0.00 H new ATOM 144 N VAL A 33 2.153 16.676 -2.340 1.00 0.00 N ATOM 145 CA VAL A 33 1.671 16.093 -1.099 1.00 0.00 C ATOM 146 C VAL A 33 1.504 14.583 -1.282 1.00 0.00 C ATOM 147 O VAL A 33 1.658 14.067 -2.388 1.00 0.00 O ATOM 148 CB VAL A 33 0.381 16.788 -0.660 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.832 15.880 -0.873 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.474 17.247 0.797 1.00 0.00 C ATOM 0 H VAL A 33 1.793 16.236 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 33 2.395 16.246 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 33 0.249 17.673 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.736 16.399 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.915 15.626 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.711 14.968 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.456 17.738 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.642 16.383 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.302 17.947 0.906 1.00 0.00 H new ATOM 160 N CYS A 34 1.191 13.917 -0.180 1.00 0.00 N ATOM 161 CA CYS A 34 1.001 12.477 -0.204 1.00 0.00 C ATOM 162 C CYS A 34 -0.360 12.161 0.418 1.00 0.00 C ATOM 163 O CYS A 34 -0.761 12.790 1.396 1.00 0.00 O ATOM 164 CB CYS A 34 2.139 11.744 0.510 1.00 0.00 C ATOM 165 SG CYS A 34 2.631 12.665 2.013 1.00 0.00 S ATOM 0 H CYS A 34 1.064 14.349 0.735 1.00 0.00 H new ATOM 0 HA CYS A 34 1.019 12.123 -1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.822 10.736 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.993 11.641 -0.159 1.00 0.00 H new ATOM 0 HG CYS A 34 2.435 13.936 1.827 1.00 0.00 H new ATOM 171 N SER A 35 -1.034 11.186 -0.175 1.00 0.00 N ATOM 172 CA SER A 35 -2.342 10.779 0.310 1.00 0.00 C ATOM 173 C SER A 35 -2.542 9.279 0.080 1.00 0.00 C ATOM 174 O SER A 35 -2.181 8.756 -0.973 1.00 0.00 O ATOM 175 CB SER A 35 -3.455 11.574 -0.376 1.00 0.00 C ATOM 176 OG SER A 35 -3.919 10.930 -1.560 1.00 0.00 O ATOM 0 H SER A 35 -0.699 10.666 -0.986 1.00 0.00 H new ATOM 0 HA SER A 35 -2.390 10.986 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.287 11.704 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.089 12.570 -0.625 1.00 0.00 H new ATOM 0 HG SER A 35 -4.630 11.468 -1.968 1.00 0.00 H new ATOM 182 N VAL A 36 -3.116 8.631 1.082 1.00 0.00 N ATOM 183 CA VAL A 36 -3.368 7.202 1.003 1.00 0.00 C ATOM 184 C VAL A 36 -4.875 6.960 0.895 1.00 0.00 C ATOM 185 O VAL A 36 -5.672 7.756 1.388 1.00 0.00 O ATOM 186 CB VAL A 36 -2.733 6.491 2.199 1.00 0.00 C ATOM 187 CG1 VAL A 36 -3.309 7.014 3.517 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.903 4.975 2.090 1.00 0.00 C ATOM 0 H VAL A 36 -3.414 9.069 1.954 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.906 6.782 0.110 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.665 6.709 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.841 6.492 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.112 8.083 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.385 6.840 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.442 4.494 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.964 4.729 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.423 4.620 1.178 1.00 0.00 H new ATOM 198 N GLU A 37 -5.220 5.857 0.247 1.00 0.00 N ATOM 199 CA GLU A 37 -6.616 5.499 0.067 1.00 0.00 C ATOM 200 C GLU A 37 -6.960 4.265 0.904 1.00 0.00 C ATOM 201 O GLU A 37 -6.277 3.245 0.821 1.00 0.00 O ATOM 202 CB GLU A 37 -6.938 5.267 -1.410 1.00 0.00 C ATOM 203 CG GLU A 37 -6.942 6.587 -2.184 1.00 0.00 C ATOM 204 CD GLU A 37 -6.305 6.416 -3.564 1.00 0.00 C ATOM 205 OE1 GLU A 37 -7.075 6.178 -4.520 1.00 0.00 O ATOM 206 OE2 GLU A 37 -5.062 6.526 -3.633 1.00 0.00 O ATOM 0 H GLU A 37 -4.556 5.199 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.231 6.331 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.203 4.589 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.911 4.784 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.966 6.945 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.398 7.345 -1.620 1.00 0.00 H new ATOM 213 N ILE A 38 -8.019 4.398 1.689 1.00 0.00 N ATOM 214 CA ILE A 38 -8.461 3.306 2.540 1.00 0.00 C ATOM 215 C ILE A 38 -9.989 3.308 2.611 1.00 0.00 C ATOM 216 O ILE A 38 -10.571 3.892 3.525 1.00 0.00 O ATOM 217 CB ILE A 38 -7.781 3.383 3.908 1.00 0.00 C ATOM 218 CG1 ILE A 38 -7.297 4.805 4.200 1.00 0.00 C ATOM 219 CG2 ILE A 38 -6.650 2.358 4.017 1.00 0.00 C ATOM 220 CD1 ILE A 38 -8.477 5.746 4.449 1.00 0.00 C ATOM 0 H ILE A 38 -8.584 5.245 1.754 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.162 2.347 2.116 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.518 3.131 4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.643 4.798 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.706 5.171 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.183 2.434 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.054 1.355 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.905 2.554 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.105 6.750 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.116 5.769 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.052 5.390 5.304 1.00 0.00 H new ATOM 232 N GLU A 39 -10.597 2.649 1.636 1.00 0.00 N ATOM 233 CA GLU A 39 -12.046 2.568 1.577 1.00 0.00 C ATOM 234 C GLU A 39 -12.643 3.941 1.263 1.00 0.00 C ATOM 235 O GLU A 39 -13.281 4.123 0.228 1.00 0.00 O ATOM 236 CB GLU A 39 -12.618 2.007 2.881 1.00 0.00 C ATOM 237 CG GLU A 39 -11.997 0.648 3.211 1.00 0.00 C ATOM 238 CD GLU A 39 -12.850 -0.494 2.654 1.00 0.00 C ATOM 239 OE1 GLU A 39 -13.270 -0.370 1.484 1.00 0.00 O ATOM 240 OE2 GLU A 39 -13.062 -1.466 3.412 1.00 0.00 O ATOM 0 H GLU A 39 -10.112 2.166 0.880 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.319 1.883 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.428 2.705 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.700 1.905 2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.992 0.593 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.900 0.541 4.291 1.00 0.00 H new ATOM 247 N GLY A 40 -12.414 4.873 2.177 1.00 0.00 N ATOM 248 CA GLY A 40 -12.920 6.225 2.011 1.00 0.00 C ATOM 249 C GLY A 40 -11.776 7.240 1.983 1.00 0.00 C ATOM 250 O GLY A 40 -11.562 7.966 2.952 1.00 0.00 O ATOM 0 H GLY A 40 -11.885 4.718 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.492 6.292 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.603 6.464 2.826 1.00 0.00 H new ATOM 254 N SER A 41 -11.070 7.257 0.861 1.00 0.00 N ATOM 255 CA SER A 41 -9.953 8.171 0.695 1.00 0.00 C ATOM 256 C SER A 41 -10.278 9.519 1.341 1.00 0.00 C ATOM 257 O SER A 41 -11.289 10.140 1.015 1.00 0.00 O ATOM 258 CB SER A 41 -9.612 8.360 -0.785 1.00 0.00 C ATOM 259 OG SER A 41 -10.520 9.247 -1.433 1.00 0.00 O ATOM 0 H SER A 41 -11.250 6.653 0.059 1.00 0.00 H new ATOM 0 HA SER A 41 -9.082 7.740 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.598 8.749 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.629 7.393 -1.287 1.00 0.00 H new ATOM 0 HG SER A 41 -11.017 9.756 -0.759 1.00 0.00 H new ATOM 265 N ARG A 42 -9.403 9.932 2.245 1.00 0.00 N ATOM 266 CA ARG A 42 -9.585 11.195 2.940 1.00 0.00 C ATOM 267 C ARG A 42 -8.336 11.537 3.755 1.00 0.00 C ATOM 268 O ARG A 42 -8.432 11.871 4.935 1.00 0.00 O ATOM 269 CB ARG A 42 -10.795 11.141 3.874 1.00 0.00 C ATOM 270 CG ARG A 42 -12.067 11.588 3.150 1.00 0.00 C ATOM 271 CD ARG A 42 -13.027 12.291 4.111 1.00 0.00 C ATOM 272 NE ARG A 42 -14.392 11.740 3.956 1.00 0.00 N ATOM 273 CZ ARG A 42 -14.806 10.592 4.510 1.00 0.00 C ATOM 274 NH1 ARG A 42 -13.963 9.867 5.258 1.00 0.00 N ATOM 275 NH2 ARG A 42 -16.062 10.169 4.316 1.00 0.00 N ATOM 0 H ARG A 42 -8.566 9.415 2.513 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.755 11.965 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.924 10.126 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.620 11.781 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.807 12.261 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.560 10.723 2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.687 12.160 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.034 13.363 3.912 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.059 12.267 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.006 10.189 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.278 8.993 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.704 10.721 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.377 9.295 4.738 1.00 0.00 H new ATOM 289 N HIS A 43 -7.192 11.442 3.093 1.00 0.00 N ATOM 290 CA HIS A 43 -5.925 11.738 3.741 1.00 0.00 C ATOM 291 C HIS A 43 -5.180 12.811 2.946 1.00 0.00 C ATOM 292 O HIS A 43 -5.532 13.099 1.803 1.00 0.00 O ATOM 293 CB HIS A 43 -5.102 10.462 3.932 1.00 0.00 C ATOM 294 CG HIS A 43 -4.642 10.235 5.352 1.00 0.00 C ATOM 295 ND1 HIS A 43 -5.480 9.757 6.344 1.00 0.00 N ATOM 296 CD2 HIS A 43 -3.423 10.424 5.935 1.00 0.00 C ATOM 297 CE1 HIS A 43 -4.786 9.667 7.470 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.512 10.081 7.214 1.00 0.00 N ATOM 0 H HIS A 43 -7.116 11.164 2.115 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.107 12.137 4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.697 9.607 3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.229 10.504 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.536 10.791 5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.163 9.326 8.423 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.753 10.121 7.894 1.00 0.00 H new ATOM 306 N ARG A 44 -4.163 13.373 3.582 1.00 0.00 N ATOM 307 CA ARG A 44 -3.364 14.409 2.948 1.00 0.00 C ATOM 308 C ARG A 44 -2.228 14.845 3.875 1.00 0.00 C ATOM 309 O ARG A 44 -2.475 15.346 4.971 1.00 0.00 O ATOM 310 CB ARG A 44 -4.221 15.626 2.594 1.00 0.00 C ATOM 311 CG ARG A 44 -3.537 16.487 1.530 1.00 0.00 C ATOM 312 CD ARG A 44 -4.476 17.586 1.028 1.00 0.00 C ATOM 313 NE ARG A 44 -3.731 18.856 0.873 1.00 0.00 N ATOM 314 CZ ARG A 44 -4.274 19.996 0.426 1.00 0.00 C ATOM 315 NH1 ARG A 44 -5.570 20.033 0.087 1.00 0.00 N ATOM 316 NH2 ARG A 44 -3.522 21.100 0.318 1.00 0.00 N ATOM 0 H ARG A 44 -3.873 13.131 4.530 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.949 13.993 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.194 15.297 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.400 16.222 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.635 16.936 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.226 15.860 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.915 17.293 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.299 17.721 1.729 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.742 18.863 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.143 19.193 0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.984 20.901 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.536 21.072 0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.936 21.968 -0.022 1.00 0.00 H new ATOM 330 N ALA A 45 -1.008 14.640 3.401 1.00 0.00 N ATOM 331 CA ALA A 45 0.167 15.006 4.175 1.00 0.00 C ATOM 332 C ALA A 45 1.311 15.355 3.221 1.00 0.00 C ATOM 333 O ALA A 45 1.228 15.089 2.023 1.00 0.00 O ATOM 334 CB ALA A 45 0.528 13.864 5.126 1.00 0.00 C ATOM 0 H ALA A 45 -0.807 14.225 2.491 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.034 15.886 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.409 14.138 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.307 13.675 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.739 12.963 4.549 1.00 0.00 H new ATOM 340 N PRO A 46 2.381 15.960 3.804 1.00 0.00 N ATOM 341 CA PRO A 46 3.540 16.348 3.019 1.00 0.00 C ATOM 342 C PRO A 46 4.387 15.127 2.652 1.00 0.00 C ATOM 343 O PRO A 46 4.498 14.186 3.436 1.00 0.00 O ATOM 344 CB PRO A 46 4.286 17.348 3.887 1.00 0.00 C ATOM 345 CG PRO A 46 3.774 17.136 5.302 1.00 0.00 C ATOM 346 CD PRO A 46 2.513 16.290 5.220 1.00 0.00 C ATOM 0 HA PRO A 46 3.270 16.795 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.362 17.185 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.101 18.369 3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.529 16.638 5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.561 18.093 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.599 15.391 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.643 16.839 5.582 1.00 0.00 H new ATOM 354 N VAL A 47 4.963 15.183 1.460 1.00 0.00 N ATOM 355 CA VAL A 47 5.797 14.094 0.980 1.00 0.00 C ATOM 356 C VAL A 47 7.222 14.279 1.504 1.00 0.00 C ATOM 357 O VAL A 47 7.950 13.305 1.691 1.00 0.00 O ATOM 358 CB VAL A 47 5.726 14.015 -0.546 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.758 13.026 -1.092 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.316 13.649 -1.012 1.00 0.00 C ATOM 0 H VAL A 47 4.869 15.965 0.812 1.00 0.00 H new ATOM 0 HA VAL A 47 5.434 13.139 1.359 1.00 0.00 H new ATOM 0 HB VAL A 47 5.964 15.002 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.687 12.989 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.759 13.349 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.565 12.035 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.294 13.600 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.036 12.680 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.611 14.406 -0.669 1.00 0.00 H new ATOM 370 N ASP A 48 7.578 15.536 1.727 1.00 0.00 N ATOM 371 CA ASP A 48 8.904 15.861 2.225 1.00 0.00 C ATOM 372 C ASP A 48 8.990 15.493 3.708 1.00 0.00 C ATOM 373 O ASP A 48 10.050 15.615 4.321 1.00 0.00 O ATOM 374 CB ASP A 48 9.191 17.358 2.092 1.00 0.00 C ATOM 375 CG ASP A 48 8.286 18.266 2.927 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.196 18.605 2.416 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.705 18.602 4.056 1.00 0.00 O ATOM 0 H ASP A 48 6.971 16.341 1.572 1.00 0.00 H new ATOM 0 HA ASP A 48 9.632 15.301 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.227 17.541 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.095 17.639 1.043 1.00 0.00 H new ATOM 382 N SER A 49 7.861 15.051 4.242 1.00 0.00 N ATOM 383 CA SER A 49 7.796 14.665 5.641 1.00 0.00 C ATOM 384 C SER A 49 7.423 13.186 5.759 1.00 0.00 C ATOM 385 O SER A 49 6.767 12.782 6.719 1.00 0.00 O ATOM 386 CB SER A 49 6.790 15.528 6.405 1.00 0.00 C ATOM 387 OG SER A 49 7.086 15.587 7.798 1.00 0.00 O ATOM 0 H SER A 49 6.984 14.952 3.731 1.00 0.00 H new ATOM 0 HA SER A 49 8.779 14.822 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.790 16.537 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.787 15.126 6.264 1.00 0.00 H new ATOM 0 HG SER A 49 6.422 16.148 8.250 1.00 0.00 H new ATOM 393 N LEU A 50 7.856 12.418 4.770 1.00 0.00 N ATOM 394 CA LEU A 50 7.575 10.993 4.751 1.00 0.00 C ATOM 395 C LEU A 50 8.797 10.230 5.267 1.00 0.00 C ATOM 396 O LEU A 50 9.837 10.827 5.539 1.00 0.00 O ATOM 397 CB LEU A 50 7.121 10.555 3.357 1.00 0.00 C ATOM 398 CG LEU A 50 5.696 10.950 2.961 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.434 10.648 1.484 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.668 10.279 3.874 1.00 0.00 C ATOM 0 H LEU A 50 8.400 12.756 3.976 1.00 0.00 H new ATOM 0 HA LEU A 50 6.746 10.759 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.810 10.974 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.208 9.470 3.292 1.00 0.00 H new ATOM 0 HG LEU A 50 5.590 12.027 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.415 10.938 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.136 11.209 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.564 9.581 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.664 10.576 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.765 9.196 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.842 10.586 4.905 1.00 0.00 H new ATOM 412 N ARG A 51 8.630 8.921 5.386 1.00 0.00 N ATOM 413 CA ARG A 51 9.707 8.070 5.865 1.00 0.00 C ATOM 414 C ARG A 51 9.444 6.613 5.477 1.00 0.00 C ATOM 415 O ARG A 51 8.360 6.088 5.723 1.00 0.00 O ATOM 416 CB ARG A 51 9.852 8.168 7.385 1.00 0.00 C ATOM 417 CG ARG A 51 10.961 9.150 7.767 1.00 0.00 C ATOM 418 CD ARG A 51 12.217 8.406 8.227 1.00 0.00 C ATOM 419 NE ARG A 51 12.669 8.935 9.532 1.00 0.00 N ATOM 420 CZ ARG A 51 13.920 8.815 9.999 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.849 8.183 9.270 1.00 0.00 N ATOM 422 NH2 ARG A 51 14.240 9.327 11.195 1.00 0.00 N ATOM 0 H ARG A 51 7.766 8.429 5.159 1.00 0.00 H new ATOM 0 HA ARG A 51 10.632 8.412 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.908 8.491 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.075 7.184 7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.201 9.783 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.611 9.808 8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.008 7.340 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.008 8.519 7.486 1.00 0.00 H new ATOM 0 HE ARG A 51 11.986 9.422 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.605 7.793 8.360 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.801 8.092 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.532 9.808 11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.192 9.236 11.551 1.00 0.00 H new ATOM 436 N ILE A 52 10.456 6.003 4.877 1.00 0.00 N ATOM 437 CA ILE A 52 10.348 4.617 4.453 1.00 0.00 C ATOM 438 C ILE A 52 11.159 3.733 5.402 1.00 0.00 C ATOM 439 O ILE A 52 12.216 4.140 5.884 1.00 0.00 O ATOM 440 CB ILE A 52 10.750 4.473 2.984 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.762 5.203 2.071 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.906 3.001 2.600 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.776 4.608 0.662 1.00 0.00 C ATOM 0 H ILE A 52 11.354 6.443 4.675 1.00 0.00 H new ATOM 0 HA ILE A 52 9.313 4.281 4.510 1.00 0.00 H new ATOM 0 HB ILE A 52 11.723 4.945 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.757 5.135 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.017 6.262 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.192 2.927 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.677 2.543 3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.960 2.482 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.065 5.145 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.776 4.699 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.496 3.555 0.709 1.00 0.00 H new ATOM 455 N GLY A 53 10.635 2.541 5.643 1.00 0.00 N ATOM 456 CA GLY A 53 11.298 1.596 6.526 1.00 0.00 C ATOM 457 C GLY A 53 11.082 0.157 6.051 1.00 0.00 C ATOM 458 O GLY A 53 10.348 -0.080 5.093 1.00 0.00 O ATOM 0 H GLY A 53 9.758 2.207 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.365 1.814 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.914 1.710 7.540 1.00 0.00 H new ATOM 462 N THR A 54 11.735 -0.765 6.743 1.00 0.00 N ATOM 463 CA THR A 54 11.624 -2.173 6.404 1.00 0.00 C ATOM 464 C THR A 54 11.143 -2.977 7.613 1.00 0.00 C ATOM 465 O THR A 54 11.601 -2.754 8.733 1.00 0.00 O ATOM 466 CB THR A 54 12.979 -2.638 5.866 1.00 0.00 C ATOM 467 OG1 THR A 54 13.227 -1.777 4.758 1.00 0.00 O ATOM 468 CG2 THR A 54 12.915 -4.035 5.245 1.00 0.00 C ATOM 0 H THR A 54 12.343 -0.564 7.537 1.00 0.00 H new ATOM 0 HA THR A 54 10.876 -2.335 5.628 1.00 0.00 H new ATOM 0 HB THR A 54 13.711 -2.633 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.088 -2.008 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.903 -4.316 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.589 -4.753 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.208 -4.032 4.415 1.00 0.00 H new ATOM 476 N ASP A 55 10.225 -3.894 7.347 1.00 0.00 N ATOM 477 CA ASP A 55 9.676 -4.732 8.399 1.00 0.00 C ATOM 478 C ASP A 55 10.239 -6.148 8.263 1.00 0.00 C ATOM 479 O ASP A 55 9.810 -6.910 7.398 1.00 0.00 O ATOM 480 CB ASP A 55 8.152 -4.817 8.297 1.00 0.00 C ATOM 481 CG ASP A 55 7.415 -4.851 9.638 1.00 0.00 C ATOM 482 OD1 ASP A 55 8.111 -5.014 10.664 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.173 -4.713 9.607 1.00 0.00 O ATOM 0 H ASP A 55 9.847 -4.075 6.417 1.00 0.00 H new ATOM 0 HA ASP A 55 9.949 -4.291 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.793 -3.962 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.890 -5.712 7.733 1.00 0.00 H new ATOM 488 N ALA A 56 11.190 -6.458 9.132 1.00 0.00 N ATOM 489 CA ALA A 56 11.816 -7.770 9.119 1.00 0.00 C ATOM 490 C ALA A 56 10.781 -8.827 9.508 1.00 0.00 C ATOM 491 O ALA A 56 11.028 -10.024 9.365 1.00 0.00 O ATOM 492 CB ALA A 56 13.027 -7.766 10.055 1.00 0.00 C ATOM 0 H ALA A 56 11.542 -5.824 9.849 1.00 0.00 H new ATOM 0 HA ALA A 56 12.177 -8.015 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.497 -8.749 10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.745 -7.018 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.703 -7.528 11.068 1.00 0.00 H new ATOM 498 N GLU A 57 9.645 -8.348 9.993 1.00 0.00 N ATOM 499 CA GLU A 57 8.572 -9.237 10.404 1.00 0.00 C ATOM 500 C GLU A 57 8.129 -10.112 9.230 1.00 0.00 C ATOM 501 O GLU A 57 7.870 -11.302 9.401 1.00 0.00 O ATOM 502 CB GLU A 57 7.393 -8.446 10.974 1.00 0.00 C ATOM 503 CG GLU A 57 7.285 -8.638 12.488 1.00 0.00 C ATOM 504 CD GLU A 57 5.998 -8.011 13.029 1.00 0.00 C ATOM 505 OE1 GLU A 57 5.441 -8.595 13.984 1.00 0.00 O ATOM 506 OE2 GLU A 57 5.602 -6.963 12.477 1.00 0.00 O ATOM 0 H GLU A 57 9.444 -7.355 10.111 1.00 0.00 H new ATOM 0 HA GLU A 57 8.947 -9.887 11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.516 -7.387 10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.468 -8.769 10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.304 -9.702 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.148 -8.187 12.978 1.00 0.00 H new ATOM 513 N ALA A 58 8.057 -9.489 8.063 1.00 0.00 N ATOM 514 CA ALA A 58 7.650 -10.197 6.861 1.00 0.00 C ATOM 515 C ALA A 58 8.614 -9.856 5.722 1.00 0.00 C ATOM 516 O ALA A 58 8.331 -10.138 4.559 1.00 0.00 O ATOM 517 CB ALA A 58 6.201 -9.840 6.524 1.00 0.00 C ATOM 0 H ALA A 58 8.274 -8.502 7.924 1.00 0.00 H new ATOM 0 HA ALA A 58 7.693 -11.275 7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.896 -10.371 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.553 -10.128 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.120 -8.766 6.357 1.00 0.00 H new ATOM 523 N ARG A 59 9.733 -9.253 6.098 1.00 0.00 N ATOM 524 CA ARG A 59 10.740 -8.870 5.123 1.00 0.00 C ATOM 525 C ARG A 59 10.104 -8.055 3.995 1.00 0.00 C ATOM 526 O ARG A 59 10.311 -8.350 2.819 1.00 0.00 O ATOM 527 CB ARG A 59 11.427 -10.102 4.529 1.00 0.00 C ATOM 528 CG ARG A 59 11.959 -11.018 5.632 1.00 0.00 C ATOM 529 CD ARG A 59 11.275 -12.386 5.586 1.00 0.00 C ATOM 530 NE ARG A 59 12.100 -13.339 4.810 1.00 0.00 N ATOM 531 CZ ARG A 59 11.835 -14.648 4.705 1.00 0.00 C ATOM 532 NH1 ARG A 59 10.767 -15.168 5.325 1.00 0.00 N ATOM 533 NH2 ARG A 59 12.639 -15.438 3.979 1.00 0.00 N ATOM 0 H ARG A 59 9.964 -9.021 7.064 1.00 0.00 H new ATOM 0 HA ARG A 59 11.486 -8.264 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.722 -10.650 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.248 -9.789 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.036 -11.142 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.792 -10.556 6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.126 -12.762 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.288 -12.293 5.132 1.00 0.00 H new ATOM 0 HE ARG A 59 12.921 -12.977 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.155 -14.567 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.566 -16.165 5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.452 -15.042 3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.438 -16.435 3.899 1.00 0.00 H new ATOM 547 N LEU A 60 9.344 -7.046 4.393 1.00 0.00 N ATOM 548 CA LEU A 60 8.677 -6.186 3.430 1.00 0.00 C ATOM 549 C LEU A 60 8.928 -4.723 3.800 1.00 0.00 C ATOM 550 O LEU A 60 9.345 -4.424 4.918 1.00 0.00 O ATOM 551 CB LEU A 60 7.194 -6.548 3.326 1.00 0.00 C ATOM 552 CG LEU A 60 6.237 -5.709 4.175 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.812 -5.774 3.622 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.300 -6.125 5.646 1.00 0.00 C ATOM 0 H LEU A 60 9.175 -6.804 5.369 1.00 0.00 H new ATOM 0 HA LEU A 60 9.090 -6.339 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.892 -6.462 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.075 -7.594 3.607 1.00 0.00 H new ATOM 0 HG LEU A 60 6.556 -4.668 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.152 -5.169 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.800 -5.391 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.467 -6.808 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.610 -5.513 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.021 -7.175 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.314 -5.984 6.021 1.00 0.00 H new ATOM 566 N SER A 61 8.663 -3.849 2.840 1.00 0.00 N ATOM 567 CA SER A 61 8.856 -2.424 3.050 1.00 0.00 C ATOM 568 C SER A 61 7.627 -1.827 3.738 1.00 0.00 C ATOM 569 O SER A 61 6.510 -2.307 3.548 1.00 0.00 O ATOM 570 CB SER A 61 9.127 -1.704 1.728 1.00 0.00 C ATOM 571 OG SER A 61 7.933 -1.497 0.978 1.00 0.00 O ATOM 0 H SER A 61 8.316 -4.100 1.914 1.00 0.00 H new ATOM 0 HA SER A 61 9.727 -2.287 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.600 -0.743 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.831 -2.288 1.135 1.00 0.00 H new ATOM 0 HG SER A 61 8.148 -1.033 0.142 1.00 0.00 H new ATOM 577 N VAL A 62 7.874 -0.788 4.522 1.00 0.00 N ATOM 578 CA VAL A 62 6.801 -0.120 5.239 1.00 0.00 C ATOM 579 C VAL A 62 6.889 1.388 4.992 1.00 0.00 C ATOM 580 O VAL A 62 7.879 1.874 4.446 1.00 0.00 O ATOM 581 CB VAL A 62 6.856 -0.486 6.724 1.00 0.00 C ATOM 582 CG1 VAL A 62 6.139 -1.811 6.989 1.00 0.00 C ATOM 583 CG2 VAL A 62 8.302 -0.535 7.223 1.00 0.00 C ATOM 0 H VAL A 62 8.801 -0.392 4.677 1.00 0.00 H new ATOM 0 HA VAL A 62 5.831 -0.454 4.871 1.00 0.00 H new ATOM 0 HB VAL A 62 6.336 0.293 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.193 -2.048 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.095 -1.726 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.618 -2.605 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.313 -0.797 8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.857 -1.284 6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.767 0.441 7.086 1.00 0.00 H new ATOM 593 N LEU A 63 5.841 2.085 5.404 1.00 0.00 N ATOM 594 CA LEU A 63 5.788 3.527 5.234 1.00 0.00 C ATOM 595 C LEU A 63 5.460 4.183 6.577 1.00 0.00 C ATOM 596 O LEU A 63 4.661 3.658 7.350 1.00 0.00 O ATOM 597 CB LEU A 63 4.815 3.899 4.114 1.00 0.00 C ATOM 598 CG LEU A 63 4.331 5.350 4.100 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.282 5.590 5.188 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.508 6.322 4.214 1.00 0.00 C ATOM 0 H LEU A 63 5.022 1.678 5.855 1.00 0.00 H new ATOM 0 HA LEU A 63 6.759 3.910 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.294 3.688 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.944 3.247 4.185 1.00 0.00 H new ATOM 0 HG LEU A 63 3.848 5.539 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.955 6.629 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.427 4.935 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.716 5.376 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.136 7.347 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.041 6.140 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.186 6.172 3.374 1.00 0.00 H new ATOM 612 N TYR A 64 6.095 5.322 6.813 1.00 0.00 N ATOM 613 CA TYR A 64 5.880 6.056 8.049 1.00 0.00 C ATOM 614 C TYR A 64 5.313 7.449 7.769 1.00 0.00 C ATOM 615 O TYR A 64 5.890 8.214 6.998 1.00 0.00 O ATOM 616 CB TYR A 64 7.258 6.200 8.698 1.00 0.00 C ATOM 617 CG TYR A 64 7.602 5.081 9.684 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.281 5.216 11.020 1.00 0.00 C ATOM 619 CD2 TYR A 64 8.232 3.938 9.238 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.605 4.163 11.948 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.556 2.885 10.166 1.00 0.00 C ATOM 622 CZ TYR A 64 8.226 3.050 11.475 1.00 0.00 C ATOM 623 OH TYR A 64 8.531 2.056 12.351 1.00 0.00 O ATOM 0 H TYR A 64 6.758 5.754 6.170 1.00 0.00 H new ATOM 0 HA TYR A 64 5.169 5.532 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.016 6.226 7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.305 7.156 9.219 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.787 6.111 11.369 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.482 3.832 8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.360 4.256 12.996 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.050 1.985 9.830 1.00 0.00 H new ATOM 0 HH TYR A 64 7.876 2.050 13.080 1.00 0.00 H new ATOM 633 N ILE A 65 4.190 7.736 8.410 1.00 0.00 N ATOM 634 CA ILE A 65 3.539 9.023 8.239 1.00 0.00 C ATOM 635 C ILE A 65 2.878 9.434 9.557 1.00 0.00 C ATOM 636 O ILE A 65 1.885 8.837 9.970 1.00 0.00 O ATOM 637 CB ILE A 65 2.573 8.982 7.053 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.828 10.310 6.907 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.613 7.796 7.169 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.937 10.305 5.662 1.00 0.00 C ATOM 0 H ILE A 65 3.714 7.099 9.049 1.00 0.00 H new ATOM 0 HA ILE A 65 4.273 9.792 7.996 1.00 0.00 H new ATOM 0 HB ILE A 65 3.155 8.838 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.219 10.489 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.545 11.128 6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.937 7.790 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.183 6.867 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.034 7.885 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.419 11.261 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.552 10.150 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.205 9.501 5.741 1.00 0.00 H new ATOM 652 N ASP A 66 3.455 10.451 10.179 1.00 0.00 N ATOM 653 CA ASP A 66 2.934 10.949 11.441 1.00 0.00 C ATOM 654 C ASP A 66 3.388 10.027 12.575 1.00 0.00 C ATOM 655 O ASP A 66 2.768 9.991 13.637 1.00 0.00 O ATOM 656 CB ASP A 66 1.405 10.973 11.435 1.00 0.00 C ATOM 657 CG ASP A 66 0.772 12.086 12.273 1.00 0.00 C ATOM 658 OD1 ASP A 66 -0.349 11.851 12.774 1.00 0.00 O ATOM 659 OD2 ASP A 66 1.423 13.146 12.393 1.00 0.00 O ATOM 0 H ASP A 66 4.278 10.944 9.833 1.00 0.00 H new ATOM 0 HA ASP A 66 3.310 11.962 11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.062 11.075 10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.040 10.013 11.799 1.00 0.00 H new ATOM 664 N GLY A 67 4.466 9.303 12.310 1.00 0.00 N ATOM 665 CA GLY A 67 5.010 8.383 13.295 1.00 0.00 C ATOM 666 C GLY A 67 4.166 7.110 13.381 1.00 0.00 C ATOM 667 O GLY A 67 4.011 6.536 14.457 1.00 0.00 O ATOM 0 H GLY A 67 4.977 9.335 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.036 8.126 13.031 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.044 8.868 14.271 1.00 0.00 H new ATOM 671 N LYS A 68 3.643 6.706 12.232 1.00 0.00 N ATOM 672 CA LYS A 68 2.818 5.512 12.164 1.00 0.00 C ATOM 673 C LYS A 68 3.565 4.426 11.387 1.00 0.00 C ATOM 674 O LYS A 68 4.605 4.691 10.786 1.00 0.00 O ATOM 675 CB LYS A 68 1.440 5.844 11.588 1.00 0.00 C ATOM 676 CG LYS A 68 1.471 5.841 10.058 1.00 0.00 C ATOM 677 CD LYS A 68 0.640 4.686 9.496 1.00 0.00 C ATOM 678 CE LYS A 68 -0.792 4.727 10.034 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.107 3.479 10.765 1.00 0.00 N ATOM 0 H LYS A 68 3.775 7.185 11.341 1.00 0.00 H new ATOM 0 HA LYS A 68 2.633 5.119 13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.709 5.117 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.117 6.821 11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.086 6.788 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.501 5.755 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.625 4.740 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.105 3.736 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.913 5.584 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.493 4.859 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.028 3.576 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.144 2.684 10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.371 3.298 11.477 1.00 0.00 H new ATOM 693 N ARG A 69 3.004 3.226 11.423 1.00 0.00 N ATOM 694 CA ARG A 69 3.604 2.099 10.729 1.00 0.00 C ATOM 695 C ARG A 69 2.525 1.276 10.022 1.00 0.00 C ATOM 696 O ARG A 69 1.602 0.775 10.662 1.00 0.00 O ATOM 697 CB ARG A 69 4.368 1.197 11.701 1.00 0.00 C ATOM 698 CG ARG A 69 4.669 -0.162 11.066 1.00 0.00 C ATOM 699 CD ARG A 69 5.462 0.003 9.767 1.00 0.00 C ATOM 700 NE ARG A 69 6.912 0.045 10.061 1.00 0.00 N ATOM 701 CZ ARG A 69 7.604 -0.982 10.572 1.00 0.00 C ATOM 702 NH1 ARG A 69 6.984 -2.137 10.849 1.00 0.00 N ATOM 703 NH2 ARG A 69 8.918 -0.854 10.806 1.00 0.00 N ATOM 0 H ARG A 69 2.141 3.010 11.922 1.00 0.00 H new ATOM 0 HA ARG A 69 4.303 2.497 9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.300 1.680 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.782 1.056 12.609 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.235 -0.777 11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.736 -0.687 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.244 -0.823 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.159 0.919 9.260 1.00 0.00 H new ATOM 0 HE ARG A 69 7.416 0.909 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.984 -2.235 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.512 -2.918 11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.390 0.025 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.445 -1.636 11.195 1.00 0.00 H new ATOM 717 N LEU A 70 2.677 1.163 8.710 1.00 0.00 N ATOM 718 CA LEU A 70 1.727 0.409 7.909 1.00 0.00 C ATOM 719 C LEU A 70 2.469 -0.282 6.763 1.00 0.00 C ATOM 720 O LEU A 70 3.651 -0.027 6.541 1.00 0.00 O ATOM 721 CB LEU A 70 0.583 1.312 7.446 1.00 0.00 C ATOM 722 CG LEU A 70 0.781 2.007 6.097 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.309 1.596 5.104 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.858 3.525 6.268 1.00 0.00 C ATOM 0 H LEU A 70 3.443 1.581 8.182 1.00 0.00 H new ATOM 0 HA LEU A 70 1.261 -0.375 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.327 0.714 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.420 2.076 8.206 1.00 0.00 H new ATOM 0 HG LEU A 70 1.735 1.682 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.145 2.104 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.273 0.517 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.286 1.874 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.999 3.994 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.067 3.888 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.697 3.776 6.916 1.00 0.00 H new ATOM 736 N HIS A 71 1.743 -1.143 6.065 1.00 0.00 N ATOM 737 CA HIS A 71 2.317 -1.872 4.947 1.00 0.00 C ATOM 738 C HIS A 71 1.801 -1.284 3.632 1.00 0.00 C ATOM 739 O HIS A 71 0.600 -1.301 3.369 1.00 0.00 O ATOM 740 CB HIS A 71 2.038 -3.371 5.076 1.00 0.00 C ATOM 741 CG HIS A 71 0.763 -3.819 4.402 1.00 0.00 C ATOM 742 ND1 HIS A 71 0.666 -4.014 3.036 1.00 0.00 N ATOM 743 CD2 HIS A 71 -0.465 -4.109 4.921 1.00 0.00 C ATOM 744 CE1 HIS A 71 -0.569 -4.402 2.756 1.00 0.00 C ATOM 745 NE2 HIS A 71 -1.269 -4.460 3.925 1.00 0.00 N ATOM 0 H HIS A 71 0.762 -1.352 6.252 1.00 0.00 H new ATOM 0 HA HIS A 71 3.401 -1.761 4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.875 -3.924 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.989 -3.631 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.737 -4.061 5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.954 -4.632 1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.249 -4.729 4.018 1.00 0.00 H new ATOM 753 N ILE A 72 2.736 -0.779 2.840 1.00 0.00 N ATOM 754 CA ILE A 72 2.391 -0.187 1.559 1.00 0.00 C ATOM 755 C ILE A 72 2.952 -1.058 0.433 1.00 0.00 C ATOM 756 O ILE A 72 3.729 -1.979 0.683 1.00 0.00 O ATOM 757 CB ILE A 72 2.856 1.269 1.499 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.383 1.359 1.526 1.00 0.00 C ATOM 759 CG2 ILE A 72 2.212 2.096 2.614 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.880 2.502 0.639 1.00 0.00 C ATOM 0 H ILE A 72 3.732 -0.768 3.061 1.00 0.00 H new ATOM 0 HA ILE A 72 1.309 -0.157 1.432 1.00 0.00 H new ATOM 0 HB ILE A 72 2.526 1.694 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.724 1.514 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.813 0.417 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.559 3.127 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.128 2.071 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.490 1.680 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.969 2.544 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.558 2.332 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.468 3.446 0.997 1.00 0.00 H new ATOM 772 N SER A 73 2.536 -0.737 -0.784 1.00 0.00 N ATOM 773 CA SER A 73 2.987 -1.478 -1.949 1.00 0.00 C ATOM 774 C SER A 73 4.441 -1.121 -2.266 1.00 0.00 C ATOM 775 O SER A 73 4.858 0.021 -2.081 1.00 0.00 O ATOM 776 CB SER A 73 2.096 -1.196 -3.160 1.00 0.00 C ATOM 777 OG SER A 73 1.581 -2.395 -3.734 1.00 0.00 O ATOM 0 H SER A 73 1.891 0.027 -0.988 1.00 0.00 H new ATOM 0 HA SER A 73 2.921 -2.542 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.269 -0.553 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.667 -0.650 -3.911 1.00 0.00 H new ATOM 0 HG SER A 73 1.016 -2.173 -4.503 1.00 0.00 H new ATOM 783 N GLU A 74 5.173 -2.120 -2.738 1.00 0.00 N ATOM 784 CA GLU A 74 6.571 -1.926 -3.083 1.00 0.00 C ATOM 785 C GLU A 74 6.718 -0.767 -4.072 1.00 0.00 C ATOM 786 O GLU A 74 7.549 0.118 -3.877 1.00 0.00 O ATOM 787 CB GLU A 74 7.180 -3.210 -3.648 1.00 0.00 C ATOM 788 CG GLU A 74 6.644 -3.499 -5.052 1.00 0.00 C ATOM 789 CD GLU A 74 7.082 -4.885 -5.531 1.00 0.00 C ATOM 790 OE1 GLU A 74 8.279 -5.018 -5.865 1.00 0.00 O ATOM 791 OE2 GLU A 74 6.209 -5.779 -5.553 1.00 0.00 O ATOM 0 H GLU A 74 4.824 -3.066 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 74 7.117 -1.674 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.266 -3.118 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.951 -4.047 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.556 -3.438 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.004 -2.740 -5.746 1.00 0.00 H new ATOM 798 N GLU A 75 5.897 -0.811 -5.111 1.00 0.00 N ATOM 799 CA GLU A 75 5.926 0.224 -6.131 1.00 0.00 C ATOM 800 C GLU A 75 5.531 1.574 -5.528 1.00 0.00 C ATOM 801 O GLU A 75 6.138 2.597 -5.839 1.00 0.00 O ATOM 802 CB GLU A 75 5.016 -0.139 -7.306 1.00 0.00 C ATOM 803 CG GLU A 75 3.542 0.011 -6.925 1.00 0.00 C ATOM 804 CD GLU A 75 2.635 -0.642 -7.970 1.00 0.00 C ATOM 805 OE1 GLU A 75 1.853 -1.529 -7.567 1.00 0.00 O ATOM 806 OE2 GLU A 75 2.746 -0.239 -9.148 1.00 0.00 O ATOM 0 H GLU A 75 5.208 -1.546 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 75 6.944 0.302 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.242 0.503 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.212 -1.165 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.367 -0.445 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.293 1.068 -6.832 1.00 0.00 H new ATOM 813 N ASP A 76 4.516 1.532 -4.678 1.00 0.00 N ATOM 814 CA ASP A 76 4.034 2.739 -4.029 1.00 0.00 C ATOM 815 C ASP A 76 5.119 3.281 -3.096 1.00 0.00 C ATOM 816 O ASP A 76 5.207 4.488 -2.875 1.00 0.00 O ATOM 817 CB ASP A 76 2.788 2.452 -3.188 1.00 0.00 C ATOM 818 CG ASP A 76 1.487 3.041 -3.738 1.00 0.00 C ATOM 819 OD1 ASP A 76 1.589 4.004 -4.529 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.420 2.515 -3.354 1.00 0.00 O ATOM 0 H ASP A 76 4.014 0.681 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 76 3.787 3.463 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.670 1.372 -3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.949 2.841 -2.183 1.00 0.00 H new ATOM 825 N ALA A 77 5.918 2.362 -2.574 1.00 0.00 N ATOM 826 CA ALA A 77 6.994 2.732 -1.671 1.00 0.00 C ATOM 827 C ALA A 77 8.093 3.448 -2.459 1.00 0.00 C ATOM 828 O ALA A 77 8.793 4.303 -1.919 1.00 0.00 O ATOM 829 CB ALA A 77 7.511 1.484 -0.953 1.00 0.00 C ATOM 0 H ALA A 77 5.842 1.362 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 77 6.633 3.421 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.318 1.762 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.700 1.030 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.883 0.770 -1.687 1.00 0.00 H new ATOM 835 N GLN A 78 8.209 3.073 -3.724 1.00 0.00 N ATOM 836 CA GLN A 78 9.211 3.668 -4.593 1.00 0.00 C ATOM 837 C GLN A 78 8.763 5.060 -5.043 1.00 0.00 C ATOM 838 O GLN A 78 9.565 5.992 -5.081 1.00 0.00 O ATOM 839 CB GLN A 78 9.498 2.768 -5.797 1.00 0.00 C ATOM 840 CG GLN A 78 10.832 3.135 -6.449 1.00 0.00 C ATOM 841 CD GLN A 78 10.686 4.370 -7.340 1.00 0.00 C ATOM 842 OE1 GLN A 78 11.361 5.372 -7.172 1.00 0.00 O ATOM 843 NE2 GLN A 78 9.769 4.243 -8.295 1.00 0.00 N ATOM 0 H GLN A 78 7.626 2.364 -4.169 1.00 0.00 H new ATOM 0 HA GLN A 78 10.138 3.770 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.519 1.725 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.694 2.863 -6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.578 3.325 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.194 2.295 -7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.238 3.376 -8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.596 5.012 -8.942 1.00 0.00 H new ATOM 852 N ARG A 79 7.484 5.158 -5.372 1.00 0.00 N ATOM 853 CA ARG A 79 6.920 6.420 -5.818 1.00 0.00 C ATOM 854 C ARG A 79 7.038 7.473 -4.715 1.00 0.00 C ATOM 855 O ARG A 79 7.186 8.661 -4.998 1.00 0.00 O ATOM 856 CB ARG A 79 5.449 6.260 -6.206 1.00 0.00 C ATOM 857 CG ARG A 79 5.244 6.518 -7.700 1.00 0.00 C ATOM 858 CD ARG A 79 3.859 7.110 -7.970 1.00 0.00 C ATOM 859 NE ARG A 79 3.443 6.810 -9.359 1.00 0.00 N ATOM 860 CZ ARG A 79 2.943 5.632 -9.756 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.794 4.636 -8.872 1.00 0.00 N ATOM 862 NH2 ARG A 79 2.592 5.451 -11.036 1.00 0.00 N ATOM 0 H ARG A 79 6.821 4.383 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 79 7.482 6.743 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.111 5.254 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.839 6.953 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.012 7.201 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.359 5.586 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.135 6.698 -7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.878 8.188 -7.812 1.00 0.00 H new ATOM 0 HE ARG A 79 3.543 7.546 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.061 4.775 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.413 3.739 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.705 6.210 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.211 4.554 -11.339 1.00 0.00 H new ATOM 876 N LEU A 80 6.967 7.000 -3.479 1.00 0.00 N ATOM 877 CA LEU A 80 7.064 7.886 -2.332 1.00 0.00 C ATOM 878 C LEU A 80 8.412 8.608 -2.362 1.00 0.00 C ATOM 879 O LEU A 80 8.480 9.815 -2.134 1.00 0.00 O ATOM 880 CB LEU A 80 6.809 7.114 -1.036 1.00 0.00 C ATOM 881 CG LEU A 80 5.341 6.888 -0.667 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.216 5.963 0.545 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.620 8.220 -0.448 1.00 0.00 C ATOM 0 H LEU A 80 6.843 6.014 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 80 6.291 8.653 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.297 6.143 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.291 7.649 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 80 4.851 6.390 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.163 5.819 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.671 4.999 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.725 6.411 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.579 8.031 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.104 8.767 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.663 8.812 -1.362 1.00 0.00 H new ATOM 895 N VAL A 81 9.453 7.838 -2.646 1.00 0.00 N ATOM 896 CA VAL A 81 10.796 8.389 -2.710 1.00 0.00 C ATOM 897 C VAL A 81 10.880 9.384 -3.870 1.00 0.00 C ATOM 898 O VAL A 81 11.372 10.499 -3.701 1.00 0.00 O ATOM 899 CB VAL A 81 11.821 7.258 -2.816 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.248 7.805 -2.752 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.588 6.204 -1.733 1.00 0.00 C ATOM 0 H VAL A 81 9.393 6.837 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 81 11.029 8.936 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 81 11.690 6.776 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.957 6.981 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.408 8.500 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.397 8.324 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.330 5.412 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.678 6.666 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.589 5.782 -1.845 1.00 0.00 H new ATOM 911 N VAL A 82 10.393 8.944 -5.021 1.00 0.00 N ATOM 912 CA VAL A 82 10.407 9.782 -6.208 1.00 0.00 C ATOM 913 C VAL A 82 9.632 11.071 -5.927 1.00 0.00 C ATOM 914 O VAL A 82 10.016 12.144 -6.390 1.00 0.00 O ATOM 915 CB VAL A 82 9.857 9.003 -7.404 1.00 0.00 C ATOM 916 CG1 VAL A 82 9.595 9.933 -8.591 1.00 0.00 C ATOM 917 CG2 VAL A 82 10.800 7.864 -7.798 1.00 0.00 C ATOM 0 H VAL A 82 9.986 8.018 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 82 11.428 10.066 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 82 8.905 8.562 -7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.205 9.354 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.868 10.692 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.526 10.416 -8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.385 7.327 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.774 8.274 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.914 7.179 -6.958 1.00 0.00 H new ATOM 927 N ALA A 83 8.555 10.923 -5.169 1.00 0.00 N ATOM 928 CA ALA A 83 7.723 12.062 -4.821 1.00 0.00 C ATOM 929 C ALA A 83 8.520 13.017 -3.929 1.00 0.00 C ATOM 930 O ALA A 83 8.316 14.229 -3.974 1.00 0.00 O ATOM 931 CB ALA A 83 6.440 11.570 -4.147 1.00 0.00 C ATOM 0 H ALA A 83 8.240 10.032 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 83 7.432 12.612 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.816 12.424 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.896 10.919 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.693 11.016 -3.243 1.00 0.00 H new ATOM 937 N GLY A 84 9.412 12.434 -3.141 1.00 0.00 N ATOM 938 CA GLY A 84 10.241 13.218 -2.241 1.00 0.00 C ATOM 939 C GLY A 84 10.108 12.721 -0.801 1.00 0.00 C ATOM 940 O GLY A 84 10.052 13.519 0.133 1.00 0.00 O ATOM 0 H GLY A 84 9.579 11.428 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.283 13.158 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.952 14.267 -2.296 1.00 0.00 H new ATOM 944 N ALA A 85 10.061 11.403 -0.665 1.00 0.00 N ATOM 945 CA ALA A 85 9.936 10.790 0.646 1.00 0.00 C ATOM 946 C ALA A 85 11.295 10.237 1.078 1.00 0.00 C ATOM 947 O ALA A 85 12.160 9.982 0.241 1.00 0.00 O ATOM 948 CB ALA A 85 8.854 9.709 0.603 1.00 0.00 C ATOM 0 H ALA A 85 10.107 10.743 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 85 9.630 11.529 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.760 9.249 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.902 10.158 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.128 8.949 -0.128 1.00 0.00 H new ATOM 954 N GLU A 86 11.442 10.067 2.384 1.00 0.00 N ATOM 955 CA GLU A 86 12.682 9.549 2.936 1.00 0.00 C ATOM 956 C GLU A 86 12.875 8.087 2.528 1.00 0.00 C ATOM 957 O GLU A 86 11.908 7.334 2.431 1.00 0.00 O ATOM 958 CB GLU A 86 12.710 9.702 4.458 1.00 0.00 C ATOM 959 CG GLU A 86 13.946 10.484 4.908 1.00 0.00 C ATOM 960 CD GLU A 86 13.941 11.899 4.326 1.00 0.00 C ATOM 961 OE1 GLU A 86 13.195 12.737 4.877 1.00 0.00 O ATOM 962 OE2 GLU A 86 14.684 12.110 3.344 1.00 0.00 O ATOM 0 H GLU A 86 10.723 10.279 3.076 1.00 0.00 H new ATOM 0 HA GLU A 86 13.509 10.131 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.809 10.216 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.708 8.718 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.972 10.535 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.848 9.960 4.591 1.00 0.00 H new ATOM 969 N ASP A 87 14.130 7.730 2.301 1.00 0.00 N ATOM 970 CA ASP A 87 14.462 6.372 1.906 1.00 0.00 C ATOM 971 C ASP A 87 15.530 5.817 2.850 1.00 0.00 C ATOM 972 O ASP A 87 16.685 6.238 2.802 1.00 0.00 O ATOM 973 CB ASP A 87 15.024 6.334 0.483 1.00 0.00 C ATOM 974 CG ASP A 87 14.585 5.130 -0.353 1.00 0.00 C ATOM 975 OD1 ASP A 87 13.996 4.206 0.247 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.850 5.161 -1.575 1.00 0.00 O ATOM 0 H ASP A 87 14.930 8.358 2.383 1.00 0.00 H new ATOM 0 HA ASP A 87 13.550 5.776 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.724 7.245 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.113 6.342 0.538 1.00 0.00 H new ATOM 981 N GLN A 88 15.106 4.881 3.687 1.00 0.00 N ATOM 982 CA GLN A 88 16.012 4.265 4.641 1.00 0.00 C ATOM 983 C GLN A 88 16.074 2.753 4.413 1.00 0.00 C ATOM 984 O GLN A 88 16.945 2.075 4.956 1.00 0.00 O ATOM 985 CB GLN A 88 15.597 4.586 6.078 1.00 0.00 C ATOM 986 CG GLN A 88 15.121 6.035 6.200 1.00 0.00 C ATOM 987 CD GLN A 88 16.221 7.011 5.775 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.331 6.629 5.445 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.851 8.288 5.801 1.00 0.00 N ATOM 0 H GLN A 88 14.147 4.535 3.724 1.00 0.00 H new ATOM 0 HA GLN A 88 17.009 4.678 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.801 3.910 6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.439 4.418 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.237 6.185 5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.826 6.239 7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.905 8.539 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.513 9.016 5.534 1.00 0.00 H new ATOM 998 N ARG A 89 15.139 2.269 3.610 1.00 0.00 N ATOM 999 CA ARG A 89 15.076 0.850 3.303 1.00 0.00 C ATOM 1000 C ARG A 89 16.293 0.431 2.476 1.00 0.00 C ATOM 1001 O ARG A 89 16.572 -0.759 2.334 1.00 0.00 O ATOM 1002 CB ARG A 89 13.801 0.509 2.530 1.00 0.00 C ATOM 1003 CG ARG A 89 13.765 1.235 1.184 1.00 0.00 C ATOM 1004 CD ARG A 89 13.333 0.289 0.062 1.00 0.00 C ATOM 1005 NE ARG A 89 12.308 0.942 -0.784 1.00 0.00 N ATOM 1006 CZ ARG A 89 11.557 0.297 -1.686 1.00 0.00 C ATOM 1007 NH1 ARG A 89 11.710 -1.022 -1.866 1.00 0.00 N ATOM 1008 NH2 ARG A 89 10.651 0.970 -2.409 1.00 0.00 N ATOM 0 H ARG A 89 14.418 2.834 3.162 1.00 0.00 H new ATOM 0 HA ARG A 89 15.070 0.307 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.747 -0.568 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.928 0.787 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.076 2.078 1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.751 1.644 0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.196 0.013 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.934 -0.633 0.486 1.00 0.00 H new ATOM 0 HE ARG A 89 12.165 1.946 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.399 -1.535 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.138 -1.513 -2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.533 1.974 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.079 0.478 -3.096 1.00 0.00 H new ATOM 1022 N ARG A 90 16.985 1.432 1.952 1.00 0.00 N ATOM 1023 CA ARG A 90 18.166 1.182 1.143 1.00 0.00 C ATOM 1024 C ARG A 90 17.822 0.258 -0.027 1.00 0.00 C ATOM 1025 O ARG A 90 16.652 0.088 -0.364 1.00 0.00 O ATOM 1026 CB ARG A 90 19.281 0.546 1.976 1.00 0.00 C ATOM 1027 CG ARG A 90 20.614 1.261 1.746 1.00 0.00 C ATOM 1028 CD ARG A 90 20.828 2.367 2.781 1.00 0.00 C ATOM 1029 NE ARG A 90 21.163 3.638 2.101 1.00 0.00 N ATOM 1030 CZ ARG A 90 21.606 4.734 2.733 1.00 0.00 C ATOM 1031 NH1 ARG A 90 21.771 4.720 4.062 1.00 0.00 N ATOM 1032 NH2 ARG A 90 21.885 5.843 2.034 1.00 0.00 N ATOM 0 H ARG A 90 16.751 2.417 2.072 1.00 0.00 H new ATOM 0 HA ARG A 90 18.516 2.142 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.019 0.589 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.380 -0.507 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.431 0.542 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.634 1.688 0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.928 2.493 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 90 21.631 2.088 3.463 1.00 0.00 H new ATOM 0 HE ARG A 90 21.050 3.683 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 90 21.560 3.875 4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 90 22.108 5.554 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.760 5.853 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 90 22.222 6.677 2.514 1.00 0.00 H new ATOM 1046 N HIS A 91 18.864 -0.314 -0.613 1.00 0.00 N ATOM 1047 CA HIS A 91 18.686 -1.216 -1.738 1.00 0.00 C ATOM 1048 C HIS A 91 18.202 -0.428 -2.957 1.00 0.00 C ATOM 1049 O HIS A 91 18.926 -0.297 -3.943 1.00 0.00 O ATOM 1050 CB HIS A 91 17.751 -2.369 -1.368 1.00 0.00 C ATOM 1051 CG HIS A 91 17.725 -3.489 -2.381 1.00 0.00 C ATOM 1052 ND1 HIS A 91 17.112 -3.368 -3.616 1.00 0.00 N ATOM 1053 CD2 HIS A 91 18.244 -4.749 -2.329 1.00 0.00 C ATOM 1054 CE1 HIS A 91 17.260 -4.511 -4.269 1.00 0.00 C ATOM 1055 NE2 HIS A 91 17.961 -5.366 -3.470 1.00 0.00 N ATOM 0 H HIS A 91 19.833 -0.170 -0.330 1.00 0.00 H new ATOM 0 HA HIS A 91 19.642 -1.670 -1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 91 18.054 -2.773 -0.402 1.00 0.00 H new ATOM 0 HB3 HIS A 91 16.740 -1.979 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.792 -5.173 -1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.890 -4.728 -5.260 1.00 0.00 H new ATOM 0 HE2 HIS A 91 18.224 -6.322 -3.710 1.00 0.00 H new ATOM 1063 N LEU A 92 16.982 0.076 -2.849 1.00 0.00 N ATOM 1064 CA LEU A 92 16.393 0.848 -3.930 1.00 0.00 C ATOM 1065 C LEU A 92 17.451 1.784 -4.518 1.00 0.00 C ATOM 1066 O LEU A 92 17.922 2.697 -3.842 1.00 0.00 O ATOM 1067 CB LEU A 92 15.133 1.570 -3.449 1.00 0.00 C ATOM 1068 CG LEU A 92 14.074 1.854 -4.515 1.00 0.00 C ATOM 1069 CD1 LEU A 92 14.672 2.633 -5.688 1.00 0.00 C ATOM 1070 CD2 LEU A 92 13.395 0.562 -4.972 1.00 0.00 C ATOM 0 H LEU A 92 16.385 -0.035 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 92 16.067 0.189 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.675 0.973 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.431 2.517 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 92 13.303 2.483 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.898 2.822 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.070 3.582 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.475 2.051 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.647 0.793 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.141 -0.112 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.913 0.083 -4.120 1.00 0.00 H new ATOM 1082 N MET A 93 17.794 1.524 -5.771 1.00 0.00 N ATOM 1083 CA MET A 93 18.788 2.332 -6.458 1.00 0.00 C ATOM 1084 C MET A 93 18.121 3.400 -7.327 1.00 0.00 C ATOM 1085 O MET A 93 17.125 3.129 -7.996 1.00 0.00 O ATOM 1086 CB MET A 93 19.660 1.432 -7.336 1.00 0.00 C ATOM 1087 CG MET A 93 20.670 0.654 -6.490 1.00 0.00 C ATOM 1088 SD MET A 93 22.330 1.179 -6.885 1.00 0.00 S ATOM 1089 CE MET A 93 23.193 -0.374 -6.724 1.00 0.00 C ATOM 0 H MET A 93 17.402 0.765 -6.329 1.00 0.00 H new ATOM 0 HA MET A 93 19.403 2.831 -5.709 1.00 0.00 H new ATOM 0 HB2 MET A 93 19.029 0.735 -7.888 1.00 0.00 H new ATOM 0 HB3 MET A 93 20.187 2.038 -8.073 1.00 0.00 H new ATOM 0 HG2 MET A 93 20.471 0.816 -5.431 1.00 0.00 H new ATOM 0 HG3 MET A 93 20.564 -0.415 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 93 24.251 -0.226 -6.938 1.00 0.00 H new ATOM 0 HE2 MET A 93 23.078 -0.751 -5.708 1.00 0.00 H new ATOM 0 HE3 MET A 93 22.778 -1.096 -7.428 1.00 0.00 H new ATOM 1099 N ALA A 94 18.696 4.593 -7.287 1.00 0.00 N ATOM 1100 CA ALA A 94 18.170 5.704 -8.063 1.00 0.00 C ATOM 1101 C ALA A 94 18.647 5.580 -9.511 1.00 0.00 C ATOM 1102 O ALA A 94 19.844 5.656 -9.783 1.00 0.00 O ATOM 1103 CB ALA A 94 18.598 7.024 -7.419 1.00 0.00 C ATOM 0 H ALA A 94 19.521 4.815 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 94 17.080 5.684 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.204 7.857 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 94 18.209 7.075 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 94 19.686 7.081 -7.395 1.00 0.00 H new ATOM 1109 N ASP A 95 17.685 5.392 -10.403 1.00 0.00 N ATOM 1110 CA ASP A 95 17.992 5.257 -11.817 1.00 0.00 C ATOM 1111 C ASP A 95 18.192 6.647 -12.426 1.00 0.00 C ATOM 1112 O ASP A 95 17.876 7.655 -11.796 1.00 0.00 O ATOM 1113 CB ASP A 95 16.847 4.573 -12.566 1.00 0.00 C ATOM 1114 CG ASP A 95 15.479 5.240 -12.404 1.00 0.00 C ATOM 1115 OD1 ASP A 95 14.916 5.117 -11.295 1.00 0.00 O ATOM 1116 OD2 ASP A 95 15.027 5.857 -13.393 1.00 0.00 O ATOM 0 H ASP A 95 16.693 5.330 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 95 18.895 4.654 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 95 17.095 4.540 -13.627 1.00 0.00 H new ATOM 0 HB3 ASP A 95 16.774 3.541 -12.224 1.00 0.00 H new ATOM 1121 N ASP A 96 18.715 6.655 -13.643 1.00 0.00 N ATOM 1122 CA ASP A 96 18.961 7.904 -14.343 1.00 0.00 C ATOM 1123 C ASP A 96 18.020 8.003 -15.546 1.00 0.00 C ATOM 1124 O ASP A 96 17.858 7.039 -16.292 1.00 0.00 O ATOM 1125 CB ASP A 96 20.399 7.971 -14.862 1.00 0.00 C ATOM 1126 CG ASP A 96 21.094 9.320 -14.669 1.00 0.00 C ATOM 1127 OD1 ASP A 96 22.146 9.514 -15.315 1.00 0.00 O ATOM 1128 OD2 ASP A 96 20.556 10.128 -13.881 1.00 0.00 O ATOM 0 H ASP A 96 18.975 5.816 -14.162 1.00 0.00 H new ATOM 0 HA ASP A 96 18.792 8.722 -13.643 1.00 0.00 H new ATOM 0 HB2 ASP A 96 20.986 7.202 -14.361 1.00 0.00 H new ATOM 0 HB3 ASP A 96 20.397 7.729 -15.925 1.00 0.00 H new TER 1133 ASP A 96