USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 79 THR OG1 : rot -113:sc= 0.959 USER MOD Single : A 81 SER OG : rot -12:sc= -4.59! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 148:sc= 0.0939 USER MOD Single : A 94 ASN : amide:sc= -5.88! C(o=-5.9!,f=-17!) USER MOD Single : A 95 HIS : no HD1:sc= -0.905 K(o=-0.9,f=-3.2!) USER MOD Single : A 96 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.02) USER MOD Single : A 100 CYS SG : rot 33:sc= 0.896 USER MOD Single : A 103 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.6!) USER MOD Single : A 104 THR OG1 : rot -19:sc= 0.514 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.1) USER MOD Single : A 108 GLN : amide:sc= -2.23 X(o=-2.2,f=-2.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 114 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.380 1.162 -2.709 1.00 1.00 C ATOM 15 O LEU A 65 6.214 1.218 -3.926 1.00 1.00 O ATOM 16 CB LEU A 65 6.373 -1.365 -2.287 1.00 1.00 C ATOM 17 CG LEU A 65 7.815 -1.637 -1.852 1.00 1.00 C ATOM 18 CD1 LEU A 65 8.758 -0.549 -2.370 1.00 1.00 C ATOM 19 CD2 LEU A 65 7.907 -1.800 -0.334 1.00 1.00 C ATOM 0 HA LEU A 65 6.092 0.159 -0.861 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.734 -2.139 -1.861 1.00 1.00 H new ATOM 0 HB3 LEU A 65 6.316 -1.466 -3.371 1.00 1.00 H new ATOM 0 HG LEU A 65 8.135 -2.579 -2.297 1.00 1.00 H new ATOM 0 HD11 LEU A 65 9.776 -0.766 -2.047 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.720 -0.523 -3.459 1.00 1.00 H new ATOM 0 HD13 LEU A 65 8.450 0.418 -1.973 1.00 1.00 H new ATOM 0 HD21 LEU A 65 8.942 -1.992 -0.051 1.00 1.00 H new ATOM 0 HD22 LEU A 65 7.562 -0.887 0.152 1.00 1.00 H new ATOM 0 HD23 LEU A 65 7.283 -2.637 -0.019 1.00 1.00 H new ATOM 31 N PHE A 66 7.048 2.061 -2.000 1.00 1.00 N ATOM 32 CA PHE A 66 7.652 3.218 -2.638 1.00 1.00 C ATOM 33 C PHE A 66 9.164 3.245 -2.406 1.00 1.00 C ATOM 34 O PHE A 66 9.642 2.819 -1.356 1.00 1.00 O ATOM 35 CB PHE A 66 7.027 4.459 -1.997 1.00 1.00 C ATOM 36 CG PHE A 66 5.701 4.189 -1.282 1.00 1.00 C ATOM 37 CD1 PHE A 66 5.700 3.735 0.000 1.00 1.00 C ATOM 38 CD2 PHE A 66 4.524 4.404 -1.929 1.00 1.00 C ATOM 39 CE1 PHE A 66 4.469 3.485 0.663 1.00 1.00 C ATOM 40 CE2 PHE A 66 3.294 4.154 -1.265 1.00 1.00 C ATOM 41 CZ PHE A 66 3.292 3.700 0.016 1.00 1.00 C ATOM 0 H PHE A 66 7.184 2.011 -0.990 1.00 1.00 H new ATOM 0 HA PHE A 66 7.477 3.184 -3.713 1.00 1.00 H new ATOM 0 HB2 PHE A 66 7.734 4.881 -1.283 1.00 1.00 H new ATOM 0 HB3 PHE A 66 6.865 5.212 -2.769 1.00 1.00 H new ATOM 0 HD1 PHE A 66 6.635 3.565 0.514 1.00 1.00 H new ATOM 0 HD2 PHE A 66 4.525 4.765 -2.947 1.00 1.00 H new ATOM 0 HE1 PHE A 66 4.468 3.124 1.681 1.00 1.00 H new ATOM 0 HE2 PHE A 66 2.359 4.325 -1.778 1.00 1.00 H new ATOM 0 HZ PHE A 66 2.356 3.510 0.520 1.00 1.00 H new ATOM 51 N VAL A 67 9.874 3.751 -3.403 1.00 1.00 N ATOM 52 CA VAL A 67 11.322 3.840 -3.320 1.00 1.00 C ATOM 53 C VAL A 67 11.726 5.293 -3.062 1.00 1.00 C ATOM 54 O VAL A 67 10.998 6.216 -3.422 1.00 1.00 O ATOM 55 CB VAL A 67 11.955 3.259 -4.587 1.00 1.00 C ATOM 56 CG1 VAL A 67 12.107 1.741 -4.477 1.00 1.00 C ATOM 57 CG2 VAL A 67 11.146 3.641 -5.828 1.00 1.00 C ATOM 0 H VAL A 67 9.474 4.104 -4.272 1.00 1.00 H new ATOM 0 HA VAL A 67 11.694 3.247 -2.485 1.00 1.00 H new ATOM 0 HB VAL A 67 12.951 3.688 -4.691 1.00 1.00 H new ATOM 0 HG11 VAL A 67 12.559 1.353 -5.390 1.00 1.00 H new ATOM 0 HG12 VAL A 67 12.744 1.500 -3.626 1.00 1.00 H new ATOM 0 HG13 VAL A 67 11.126 1.286 -4.336 1.00 1.00 H new ATOM 0 HG21 VAL A 67 11.617 3.216 -6.714 1.00 1.00 H new ATOM 0 HG22 VAL A 67 10.132 3.253 -5.735 1.00 1.00 H new ATOM 0 HG23 VAL A 67 11.112 4.727 -5.920 1.00 1.00 H new ATOM 67 N ALA A 68 12.886 5.449 -2.441 1.00 1.00 N ATOM 68 CA ALA A 68 13.396 6.774 -2.131 1.00 1.00 C ATOM 69 C ALA A 68 13.807 7.474 -3.428 1.00 1.00 C ATOM 70 O ALA A 68 14.549 6.912 -4.233 1.00 1.00 O ATOM 71 CB ALA A 68 14.555 6.656 -1.139 1.00 1.00 C ATOM 0 H ALA A 68 13.487 4.680 -2.144 1.00 1.00 H new ATOM 0 HA ALA A 68 12.624 7.382 -1.659 1.00 1.00 H new ATOM 0 HB1 ALA A 68 14.938 7.650 -0.907 1.00 1.00 H new ATOM 0 HB2 ALA A 68 14.204 6.179 -0.224 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.351 6.055 -1.579 1.00 1.00 H new ATOM 77 N LEU A 69 13.309 8.691 -3.590 1.00 1.00 N ATOM 78 CA LEU A 69 13.615 9.474 -4.775 1.00 1.00 C ATOM 79 C LEU A 69 14.902 10.267 -4.538 1.00 1.00 C ATOM 80 O LEU A 69 15.899 10.061 -5.230 1.00 1.00 O ATOM 81 CB LEU A 69 12.420 10.344 -5.166 1.00 1.00 C ATOM 82 CG LEU A 69 11.899 10.167 -6.594 1.00 1.00 C ATOM 83 CD1 LEU A 69 10.436 10.600 -6.702 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.790 10.902 -7.598 1.00 1.00 C ATOM 0 H LEU A 69 12.695 9.154 -2.920 1.00 1.00 H new ATOM 0 HA LEU A 69 13.795 8.820 -5.628 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.603 10.137 -4.474 1.00 1.00 H new ATOM 0 HB3 LEU A 69 12.697 11.389 -5.028 1.00 1.00 H new ATOM 0 HG LEU A 69 11.940 9.107 -6.843 1.00 1.00 H new ATOM 0 HD11 LEU A 69 10.091 10.464 -7.727 1.00 1.00 H new ATOM 0 HD12 LEU A 69 9.827 9.995 -6.031 1.00 1.00 H new ATOM 0 HD13 LEU A 69 10.346 11.650 -6.425 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.397 10.760 -8.605 1.00 1.00 H new ATOM 0 HD22 LEU A 69 12.805 11.966 -7.361 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.803 10.504 -7.544 1.00 1.00 H new ATOM 96 N TYR A 70 14.840 11.157 -3.559 1.00 1.00 N ATOM 97 CA TYR A 70 15.987 11.981 -3.222 1.00 1.00 C ATOM 98 C TYR A 70 16.566 11.587 -1.862 1.00 1.00 C ATOM 99 O TYR A 70 15.921 10.878 -1.091 1.00 1.00 O ATOM 100 CB TYR A 70 15.466 13.418 -3.144 1.00 1.00 C ATOM 101 CG TYR A 70 15.362 14.117 -4.501 1.00 1.00 C ATOM 102 CD1 TYR A 70 16.444 14.809 -5.006 1.00 1.00 C ATOM 103 CD2 TYR A 70 14.186 14.055 -5.221 1.00 1.00 C ATOM 104 CE1 TYR A 70 16.346 15.467 -6.283 1.00 1.00 C ATOM 105 CE2 TYR A 70 14.088 14.712 -6.498 1.00 1.00 C ATOM 106 CZ TYR A 70 15.173 15.386 -6.966 1.00 1.00 C ATOM 107 OH TYR A 70 15.081 16.007 -8.173 1.00 1.00 O ATOM 0 H TYR A 70 14.012 11.325 -2.988 1.00 1.00 H new ATOM 0 HA TYR A 70 16.776 11.862 -3.965 1.00 1.00 H new ATOM 0 HB2 TYR A 70 14.483 13.412 -2.674 1.00 1.00 H new ATOM 0 HB3 TYR A 70 16.125 13.998 -2.498 1.00 1.00 H new ATOM 0 HD1 TYR A 70 17.365 14.857 -4.443 1.00 1.00 H new ATOM 0 HD2 TYR A 70 13.339 13.513 -4.826 1.00 1.00 H new ATOM 0 HE1 TYR A 70 17.185 16.012 -6.689 1.00 1.00 H new ATOM 0 HE2 TYR A 70 13.174 14.671 -7.072 1.00 1.00 H new ATOM 0 HH TYR A 70 14.187 15.864 -8.547 1.00 1.00 H new ATOM 117 N ASP A 71 17.777 12.063 -1.609 1.00 1.00 N ATOM 118 CA ASP A 71 18.449 11.769 -0.356 1.00 1.00 C ATOM 119 C ASP A 71 17.820 12.601 0.764 1.00 1.00 C ATOM 120 O ASP A 71 16.780 13.228 0.566 1.00 1.00 O ATOM 121 CB ASP A 71 19.935 12.125 -0.431 1.00 1.00 C ATOM 122 CG ASP A 71 20.236 13.620 -0.554 1.00 1.00 C ATOM 123 OD1 ASP A 71 19.902 14.348 0.406 1.00 1.00 O ATOM 124 OD2 ASP A 71 20.794 14.002 -1.606 1.00 1.00 O ATOM 0 H ASP A 71 18.309 12.650 -2.251 1.00 1.00 H new ATOM 0 HA ASP A 71 18.343 10.702 -0.160 1.00 1.00 H new ATOM 0 HB2 ASP A 71 20.430 11.742 0.461 1.00 1.00 H new ATOM 0 HB3 ASP A 71 20.374 11.610 -1.285 1.00 1.00 H new ATOM 129 N PHE A 72 18.477 12.581 1.914 1.00 1.00 N ATOM 130 CA PHE A 72 17.995 13.326 3.065 1.00 1.00 C ATOM 131 C PHE A 72 19.160 13.826 3.921 1.00 1.00 C ATOM 132 O PHE A 72 20.123 13.096 4.152 1.00 1.00 O ATOM 133 CB PHE A 72 17.143 12.364 3.895 1.00 1.00 C ATOM 134 CG PHE A 72 16.021 13.046 4.680 1.00 1.00 C ATOM 135 CD1 PHE A 72 16.316 14.031 5.571 1.00 1.00 C ATOM 136 CD2 PHE A 72 14.729 12.668 4.487 1.00 1.00 C ATOM 137 CE1 PHE A 72 15.274 14.664 6.299 1.00 1.00 C ATOM 138 CE2 PHE A 72 13.687 13.301 5.216 1.00 1.00 C ATOM 139 CZ PHE A 72 13.982 14.286 6.107 1.00 1.00 C ATOM 0 H PHE A 72 19.340 12.060 2.074 1.00 1.00 H new ATOM 0 HA PHE A 72 17.424 14.194 2.735 1.00 1.00 H new ATOM 0 HB2 PHE A 72 16.707 11.617 3.232 1.00 1.00 H new ATOM 0 HB3 PHE A 72 17.789 11.832 4.593 1.00 1.00 H new ATOM 0 HD1 PHE A 72 17.342 14.331 5.724 1.00 1.00 H new ATOM 0 HD2 PHE A 72 14.495 11.886 3.779 1.00 1.00 H new ATOM 0 HE1 PHE A 72 15.508 15.446 7.006 1.00 1.00 H new ATOM 0 HE2 PHE A 72 12.661 13.000 5.063 1.00 1.00 H new ATOM 0 HZ PHE A 72 13.190 14.768 6.662 1.00 1.00 H new ATOM 149 N VAL A 73 19.033 15.066 4.369 1.00 1.00 N ATOM 150 CA VAL A 73 20.063 15.672 5.196 1.00 1.00 C ATOM 151 C VAL A 73 19.603 15.679 6.655 1.00 1.00 C ATOM 152 O VAL A 73 18.412 15.811 6.932 1.00 1.00 O ATOM 153 CB VAL A 73 20.403 17.068 4.669 1.00 1.00 C ATOM 154 CG1 VAL A 73 19.163 17.964 4.653 1.00 1.00 C ATOM 155 CG2 VAL A 73 21.528 17.704 5.487 1.00 1.00 C ATOM 0 H VAL A 73 18.233 15.668 4.175 1.00 1.00 H new ATOM 0 HA VAL A 73 20.982 15.088 5.149 1.00 1.00 H new ATOM 0 HB VAL A 73 20.754 16.962 3.642 1.00 1.00 H new ATOM 0 HG11 VAL A 73 19.432 18.950 4.274 1.00 1.00 H new ATOM 0 HG12 VAL A 73 18.403 17.522 4.008 1.00 1.00 H new ATOM 0 HG13 VAL A 73 18.769 18.059 5.665 1.00 1.00 H new ATOM 0 HG21 VAL A 73 21.750 18.695 5.091 1.00 1.00 H new ATOM 0 HG22 VAL A 73 21.217 17.790 6.528 1.00 1.00 H new ATOM 0 HG23 VAL A 73 22.420 17.081 5.425 1.00 1.00 H new ATOM 165 N ALA A 74 20.570 15.536 7.548 1.00 1.00 N ATOM 166 CA ALA A 74 20.279 15.524 8.972 1.00 1.00 C ATOM 167 C ALA A 74 19.867 16.929 9.415 1.00 1.00 C ATOM 168 O ALA A 74 20.513 17.528 10.273 1.00 1.00 O ATOM 169 CB ALA A 74 21.497 15.004 9.738 1.00 1.00 C ATOM 0 H ALA A 74 21.557 15.427 7.314 1.00 1.00 H new ATOM 0 HA ALA A 74 19.448 14.853 9.189 1.00 1.00 H new ATOM 0 HB1 ALA A 74 21.279 14.995 10.806 1.00 1.00 H new ATOM 0 HB2 ALA A 74 21.730 13.992 9.407 1.00 1.00 H new ATOM 0 HB3 ALA A 74 22.351 15.654 9.548 1.00 1.00 H new ATOM 175 N SER A 75 18.792 17.414 8.811 1.00 1.00 N ATOM 176 CA SER A 75 18.286 18.738 9.132 1.00 1.00 C ATOM 177 C SER A 75 16.775 18.792 8.897 1.00 1.00 C ATOM 178 O SER A 75 16.320 18.770 7.754 1.00 1.00 O ATOM 179 CB SER A 75 18.991 19.814 8.304 1.00 1.00 C ATOM 180 OG SER A 75 18.539 21.124 8.635 1.00 1.00 O ATOM 0 H SER A 75 18.257 16.914 8.101 1.00 1.00 H new ATOM 0 HA SER A 75 18.491 18.936 10.184 1.00 1.00 H new ATOM 0 HB2 SER A 75 20.067 19.750 8.467 1.00 1.00 H new ATOM 0 HB3 SER A 75 18.817 19.628 7.244 1.00 1.00 H new ATOM 0 HG SER A 75 19.014 21.782 8.086 1.00 1.00 H new ATOM 186 N GLY A 76 16.039 18.861 9.997 1.00 1.00 N ATOM 187 CA GLY A 76 14.589 18.919 9.924 1.00 1.00 C ATOM 188 C GLY A 76 13.955 18.412 11.221 1.00 1.00 C ATOM 189 O GLY A 76 12.979 17.664 11.188 1.00 1.00 O ATOM 0 H GLY A 76 16.420 18.878 10.943 1.00 1.00 H new ATOM 0 HA2 GLY A 76 14.271 19.945 9.736 1.00 1.00 H new ATOM 0 HA3 GLY A 76 14.239 18.318 9.085 1.00 1.00 H new ATOM 193 N ASP A 77 14.535 18.841 12.333 1.00 1.00 N ATOM 194 CA ASP A 77 14.039 18.440 13.638 1.00 1.00 C ATOM 195 C ASP A 77 13.711 16.946 13.618 1.00 1.00 C ATOM 196 O ASP A 77 12.619 16.552 13.212 1.00 1.00 O ATOM 197 CB ASP A 77 12.761 19.200 13.998 1.00 1.00 C ATOM 198 CG ASP A 77 12.794 19.918 15.349 1.00 1.00 C ATOM 199 OD1 ASP A 77 13.863 19.864 15.994 1.00 1.00 O ATOM 200 OD2 ASP A 77 11.750 20.505 15.706 1.00 1.00 O ATOM 0 H ASP A 77 15.344 19.462 12.356 1.00 1.00 H new ATOM 0 HA ASP A 77 14.811 18.662 14.375 1.00 1.00 H new ATOM 0 HB2 ASP A 77 12.561 19.935 13.218 1.00 1.00 H new ATOM 0 HB3 ASP A 77 11.927 18.499 13.997 1.00 1.00 H new ATOM 205 N ASN A 78 14.677 16.155 14.061 1.00 1.00 N ATOM 206 CA ASN A 78 14.504 14.712 14.099 1.00 1.00 C ATOM 207 C ASN A 78 14.269 14.194 12.679 1.00 1.00 C ATOM 208 O ASN A 78 13.143 14.220 12.184 1.00 1.00 O ATOM 209 CB ASN A 78 13.294 14.325 14.951 1.00 1.00 C ATOM 210 CG ASN A 78 13.609 14.455 16.442 1.00 1.00 C ATOM 211 OD1 ASN A 78 13.750 13.479 17.161 1.00 1.00 O ATOM 212 ND2 ASN A 78 13.712 15.711 16.866 1.00 1.00 N ATOM 0 H ASN A 78 15.582 16.485 14.397 1.00 1.00 H new ATOM 0 HA ASN A 78 15.404 14.275 14.532 1.00 1.00 H new ATOM 0 HB2 ASN A 78 12.447 14.963 14.698 1.00 1.00 H new ATOM 0 HB3 ASN A 78 12.999 13.300 14.726 1.00 1.00 H new ATOM 0 HD21 ASN A 78 13.921 15.903 17.846 1.00 1.00 H new ATOM 0 HD22 ASN A 78 13.582 16.482 16.211 1.00 1.00 H new ATOM 219 N THR A 79 15.349 13.735 12.064 1.00 1.00 N ATOM 220 CA THR A 79 15.273 13.211 10.711 1.00 1.00 C ATOM 221 C THR A 79 16.313 12.107 10.508 1.00 1.00 C ATOM 222 O THR A 79 17.076 11.793 11.420 1.00 1.00 O ATOM 223 CB THR A 79 15.434 14.383 9.741 1.00 1.00 C ATOM 224 OG1 THR A 79 14.309 14.272 8.872 1.00 1.00 O ATOM 225 CG2 THR A 79 16.639 14.215 8.813 1.00 1.00 C ATOM 0 H THR A 79 16.281 13.715 12.478 1.00 1.00 H new ATOM 0 HA THR A 79 14.307 12.743 10.521 1.00 1.00 H new ATOM 0 HB THR A 79 15.538 15.309 10.306 1.00 1.00 H new ATOM 0 HG1 THR A 79 14.615 14.052 7.967 1.00 1.00 H new ATOM 0 HG21 THR A 79 16.707 15.074 8.146 1.00 1.00 H new ATOM 0 HG22 THR A 79 17.550 14.145 9.408 1.00 1.00 H new ATOM 0 HG23 THR A 79 16.520 13.306 8.223 1.00 1.00 H new ATOM 233 N LEU A 80 16.310 11.549 9.306 1.00 1.00 N ATOM 234 CA LEU A 80 17.243 10.487 8.972 1.00 1.00 C ATOM 235 C LEU A 80 17.903 10.799 7.627 1.00 1.00 C ATOM 236 O LEU A 80 17.221 10.922 6.610 1.00 1.00 O ATOM 237 CB LEU A 80 16.544 9.127 9.014 1.00 1.00 C ATOM 238 CG LEU A 80 17.409 7.941 9.447 1.00 1.00 C ATOM 239 CD1 LEU A 80 16.543 6.731 9.801 1.00 1.00 C ATOM 240 CD2 LEU A 80 18.454 7.606 8.382 1.00 1.00 C ATOM 0 H LEU A 80 15.676 11.813 8.552 1.00 1.00 H new ATOM 0 HA LEU A 80 18.040 10.432 9.714 1.00 1.00 H new ATOM 0 HB2 LEU A 80 15.694 9.198 9.693 1.00 1.00 H new ATOM 0 HB3 LEU A 80 16.143 8.916 8.023 1.00 1.00 H new ATOM 0 HG LEU A 80 17.950 8.225 10.350 1.00 1.00 H new ATOM 0 HD11 LEU A 80 17.182 5.902 10.105 1.00 1.00 H new ATOM 0 HD12 LEU A 80 15.872 6.991 10.620 1.00 1.00 H new ATOM 0 HD13 LEU A 80 15.957 6.436 8.931 1.00 1.00 H new ATOM 0 HD21 LEU A 80 19.055 6.760 8.715 1.00 1.00 H new ATOM 0 HD22 LEU A 80 17.953 7.350 7.448 1.00 1.00 H new ATOM 0 HD23 LEU A 80 19.100 8.469 8.222 1.00 1.00 H new ATOM 252 N SER A 81 19.222 10.917 7.664 1.00 1.00 N ATOM 253 CA SER A 81 19.981 11.212 6.461 1.00 1.00 C ATOM 254 C SER A 81 20.327 9.913 5.729 1.00 1.00 C ATOM 255 O SER A 81 21.119 9.111 6.222 1.00 1.00 O ATOM 256 CB SER A 81 21.256 11.991 6.791 1.00 1.00 C ATOM 257 OG SER A 81 21.000 13.089 7.662 1.00 1.00 O ATOM 0 H SER A 81 19.785 10.814 8.509 1.00 1.00 H new ATOM 0 HA SER A 81 19.365 11.835 5.812 1.00 1.00 H new ATOM 0 HB2 SER A 81 21.980 11.321 7.255 1.00 1.00 H new ATOM 0 HB3 SER A 81 21.706 12.357 5.868 1.00 1.00 H new ATOM 0 HG SER A 81 20.034 13.241 7.722 1.00 1.00 H new ATOM 263 N ILE A 82 19.717 9.746 4.565 1.00 1.00 N ATOM 264 CA ILE A 82 19.951 8.559 3.761 1.00 1.00 C ATOM 265 C ILE A 82 20.527 8.972 2.405 1.00 1.00 C ATOM 266 O ILE A 82 20.676 10.160 2.126 1.00 1.00 O ATOM 267 CB ILE A 82 18.674 7.722 3.657 1.00 1.00 C ATOM 268 CG1 ILE A 82 17.600 8.240 4.616 1.00 1.00 C ATOM 269 CG2 ILE A 82 18.972 6.238 3.877 1.00 1.00 C ATOM 270 CD1 ILE A 82 16.762 9.339 3.960 1.00 1.00 C ATOM 0 H ILE A 82 19.061 10.413 4.159 1.00 1.00 H new ATOM 0 HA ILE A 82 20.689 7.915 4.239 1.00 1.00 H new ATOM 0 HB ILE A 82 18.279 7.824 2.646 1.00 1.00 H new ATOM 0 HG12 ILE A 82 16.953 7.418 4.921 1.00 1.00 H new ATOM 0 HG13 ILE A 82 18.071 8.627 5.520 1.00 1.00 H new ATOM 0 HG21 ILE A 82 18.048 5.666 3.798 1.00 1.00 H new ATOM 0 HG22 ILE A 82 19.678 5.893 3.122 1.00 1.00 H new ATOM 0 HG23 ILE A 82 19.403 6.096 4.868 1.00 1.00 H new ATOM 0 HD11 ILE A 82 16.006 9.689 4.663 1.00 1.00 H new ATOM 0 HD12 ILE A 82 17.408 10.170 3.678 1.00 1.00 H new ATOM 0 HD13 ILE A 82 16.273 8.942 3.070 1.00 1.00 H new ATOM 282 N THR A 83 20.836 7.967 1.599 1.00 1.00 N ATOM 283 CA THR A 83 21.393 8.211 0.279 1.00 1.00 C ATOM 284 C THR A 83 20.332 7.982 -0.798 1.00 1.00 C ATOM 285 O THR A 83 19.350 7.277 -0.568 1.00 1.00 O ATOM 286 CB THR A 83 22.627 7.321 0.115 1.00 1.00 C ATOM 287 OG1 THR A 83 23.290 7.411 1.374 1.00 1.00 O ATOM 288 CG2 THR A 83 23.637 7.898 -0.879 1.00 1.00 C ATOM 0 H THR A 83 20.711 6.982 1.834 1.00 1.00 H new ATOM 0 HA THR A 83 21.706 9.249 0.167 1.00 1.00 H new ATOM 0 HB THR A 83 22.318 6.329 -0.215 1.00 1.00 H new ATOM 0 HG1 THR A 83 24.101 6.862 1.356 1.00 1.00 H new ATOM 0 HG21 THR A 83 24.493 7.228 -0.958 1.00 1.00 H new ATOM 0 HG22 THR A 83 23.166 8.002 -1.857 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.972 8.875 -0.531 1.00 1.00 H new ATOM 296 N LYS A 84 20.565 8.591 -1.952 1.00 1.00 N ATOM 297 CA LYS A 84 19.640 8.462 -3.066 1.00 1.00 C ATOM 298 C LYS A 84 19.753 7.055 -3.656 1.00 1.00 C ATOM 299 O LYS A 84 20.701 6.329 -3.363 1.00 1.00 O ATOM 300 CB LYS A 84 19.873 9.578 -4.087 1.00 1.00 C ATOM 301 CG LYS A 84 21.364 9.740 -4.391 1.00 1.00 C ATOM 302 CD LYS A 84 21.964 10.899 -3.594 1.00 1.00 C ATOM 303 CE LYS A 84 22.778 11.825 -4.501 1.00 1.00 C ATOM 304 NZ LYS A 84 24.227 11.606 -4.298 1.00 1.00 N ATOM 0 H LYS A 84 21.380 9.175 -2.140 1.00 1.00 H new ATOM 0 HA LYS A 84 18.612 8.583 -2.725 1.00 1.00 H new ATOM 0 HB2 LYS A 84 19.333 9.353 -5.007 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.472 10.516 -3.703 1.00 1.00 H new ATOM 0 HG2 LYS A 84 21.890 8.817 -4.149 1.00 1.00 H new ATOM 0 HG3 LYS A 84 21.504 9.917 -5.457 1.00 1.00 H new ATOM 0 HD2 LYS A 84 21.167 11.465 -3.112 1.00 1.00 H new ATOM 0 HD3 LYS A 84 22.602 10.508 -2.801 1.00 1.00 H new ATOM 0 HE2 LYS A 84 22.519 11.642 -5.544 1.00 1.00 H new ATOM 0 HE3 LYS A 84 22.528 12.864 -4.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 24.765 12.242 -4.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 24.472 11.803 -3.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 24.464 10.619 -4.524 1.00 1.00 H new ATOM 318 N GLY A 85 18.771 6.713 -4.477 1.00 1.00 N ATOM 319 CA GLY A 85 18.747 5.406 -5.111 1.00 1.00 C ATOM 320 C GLY A 85 19.197 4.315 -4.136 1.00 1.00 C ATOM 321 O GLY A 85 19.730 3.288 -4.552 1.00 1.00 O ATOM 0 H GLY A 85 17.986 7.318 -4.718 1.00 1.00 H new ATOM 0 HA2 GLY A 85 17.740 5.189 -5.466 1.00 1.00 H new ATOM 0 HA3 GLY A 85 19.399 5.410 -5.985 1.00 1.00 H new ATOM 325 N GLU A 86 18.964 4.576 -2.858 1.00 1.00 N ATOM 326 CA GLU A 86 19.338 3.630 -1.821 1.00 1.00 C ATOM 327 C GLU A 86 18.134 2.773 -1.425 1.00 1.00 C ATOM 328 O GLU A 86 17.024 2.998 -1.903 1.00 1.00 O ATOM 329 CB GLU A 86 19.922 4.352 -0.605 1.00 1.00 C ATOM 330 CG GLU A 86 21.045 3.531 0.033 1.00 1.00 C ATOM 331 CD GLU A 86 20.659 3.077 1.442 1.00 1.00 C ATOM 332 OE1 GLU A 86 20.001 3.881 2.137 1.00 1.00 O ATOM 333 OE2 GLU A 86 21.030 1.936 1.793 1.00 1.00 O ATOM 0 H GLU A 86 18.521 5.429 -2.517 1.00 1.00 H new ATOM 0 HA GLU A 86 20.112 2.973 -2.218 1.00 1.00 H new ATOM 0 HB2 GLU A 86 20.305 5.327 -0.906 1.00 1.00 H new ATOM 0 HB3 GLU A 86 19.136 4.531 0.128 1.00 1.00 H new ATOM 0 HG2 GLU A 86 21.262 2.661 -0.587 1.00 1.00 H new ATOM 0 HG3 GLU A 86 21.957 4.127 0.076 1.00 1.00 H new ATOM 340 N LYS A 87 18.396 1.809 -0.554 1.00 1.00 N ATOM 341 CA LYS A 87 17.347 0.918 -0.088 1.00 1.00 C ATOM 342 C LYS A 87 16.533 1.621 1.000 1.00 1.00 C ATOM 343 O LYS A 87 16.806 1.457 2.188 1.00 1.00 O ATOM 344 CB LYS A 87 17.940 -0.421 0.356 1.00 1.00 C ATOM 345 CG LYS A 87 19.327 -0.636 -0.254 1.00 1.00 C ATOM 346 CD LYS A 87 19.678 -2.124 -0.305 1.00 1.00 C ATOM 347 CE LYS A 87 21.144 -2.354 0.069 1.00 1.00 C ATOM 348 NZ LYS A 87 21.969 -2.526 -1.148 1.00 1.00 N ATOM 0 H LYS A 87 19.319 1.626 -0.159 1.00 1.00 H new ATOM 0 HA LYS A 87 16.659 0.682 -0.900 1.00 1.00 H new ATOM 0 HB2 LYS A 87 18.009 -0.450 1.443 1.00 1.00 H new ATOM 0 HB3 LYS A 87 17.277 -1.233 0.057 1.00 1.00 H new ATOM 0 HG2 LYS A 87 19.355 -0.217 -1.260 1.00 1.00 H new ATOM 0 HG3 LYS A 87 20.074 -0.102 0.334 1.00 1.00 H new ATOM 0 HD2 LYS A 87 19.033 -2.677 0.378 1.00 1.00 H new ATOM 0 HD3 LYS A 87 19.489 -2.512 -1.306 1.00 1.00 H new ATOM 0 HE2 LYS A 87 21.514 -1.509 0.650 1.00 1.00 H new ATOM 0 HE3 LYS A 87 21.230 -3.238 0.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 22.961 -2.681 -0.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 21.626 -3.346 -1.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 21.901 -1.672 -1.737 1.00 1.00 H new ATOM 362 N LEU A 88 15.549 2.388 0.554 1.00 1.00 N ATOM 363 CA LEU A 88 14.692 3.116 1.475 1.00 1.00 C ATOM 364 C LEU A 88 13.261 3.124 0.936 1.00 1.00 C ATOM 365 O LEU A 88 13.008 3.631 -0.156 1.00 1.00 O ATOM 366 CB LEU A 88 15.257 4.513 1.741 1.00 1.00 C ATOM 367 CG LEU A 88 14.354 5.463 2.530 1.00 1.00 C ATOM 368 CD1 LEU A 88 15.108 6.734 2.926 1.00 1.00 C ATOM 369 CD2 LEU A 88 13.074 5.775 1.752 1.00 1.00 C ATOM 0 H LEU A 88 15.326 2.521 -0.432 1.00 1.00 H new ATOM 0 HA LEU A 88 14.665 2.618 2.444 1.00 1.00 H new ATOM 0 HB2 LEU A 88 16.198 4.406 2.281 1.00 1.00 H new ATOM 0 HB3 LEU A 88 15.490 4.977 0.783 1.00 1.00 H new ATOM 0 HG LEU A 88 14.057 4.964 3.453 1.00 1.00 H new ATOM 0 HD11 LEU A 88 14.443 7.392 3.486 1.00 1.00 H new ATOM 0 HD12 LEU A 88 15.965 6.471 3.546 1.00 1.00 H new ATOM 0 HD13 LEU A 88 15.454 7.246 2.028 1.00 1.00 H new ATOM 0 HD21 LEU A 88 12.450 6.452 2.335 1.00 1.00 H new ATOM 0 HD22 LEU A 88 13.331 6.245 0.803 1.00 1.00 H new ATOM 0 HD23 LEU A 88 12.528 4.850 1.563 1.00 1.00 H new ATOM 381 N ARG A 89 12.361 2.557 1.726 1.00 1.00 N ATOM 382 CA ARG A 89 10.962 2.493 1.342 1.00 1.00 C ATOM 383 C ARG A 89 10.068 2.865 2.526 1.00 1.00 C ATOM 384 O ARG A 89 10.243 2.346 3.628 1.00 1.00 O ATOM 385 CB ARG A 89 10.589 1.092 0.851 1.00 1.00 C ATOM 386 CG ARG A 89 11.817 0.356 0.312 1.00 1.00 C ATOM 387 CD ARG A 89 11.476 -1.093 -0.043 1.00 1.00 C ATOM 388 NE ARG A 89 12.703 -1.919 -0.037 1.00 1.00 N ATOM 389 CZ ARG A 89 13.529 -2.046 -1.085 1.00 1.00 C ATOM 390 NH1 ARG A 89 13.262 -1.403 -2.230 1.00 1.00 N ATOM 391 NH2 ARG A 89 14.620 -2.817 -0.988 1.00 1.00 N ATOM 0 H ARG A 89 12.574 2.138 2.631 1.00 1.00 H new ATOM 0 HA ARG A 89 10.809 3.204 0.530 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.148 0.521 1.668 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.833 1.166 0.070 1.00 1.00 H new ATOM 0 HG2 ARG A 89 12.196 0.871 -0.571 1.00 1.00 H new ATOM 0 HG3 ARG A 89 12.612 0.374 1.057 1.00 1.00 H new ATOM 0 HD2 ARG A 89 10.756 -1.491 0.672 1.00 1.00 H new ATOM 0 HD3 ARG A 89 11.005 -1.134 -1.025 1.00 1.00 H new ATOM 0 HE ARG A 89 12.935 -2.424 0.818 1.00 1.00 H new ATOM 0 HH11 ARG A 89 12.430 -0.817 -2.304 1.00 1.00 H new ATOM 0 HH12 ARG A 89 13.890 -1.499 -3.028 1.00 1.00 H new ATOM 0 HH21 ARG A 89 14.822 -3.307 -0.117 1.00 1.00 H new ATOM 0 HH22 ARG A 89 15.249 -2.914 -1.785 1.00 1.00 H new ATOM 405 N VAL A 90 9.129 3.761 2.260 1.00 1.00 N ATOM 406 CA VAL A 90 8.207 4.208 3.290 1.00 1.00 C ATOM 407 C VAL A 90 7.268 3.059 3.662 1.00 1.00 C ATOM 408 O VAL A 90 6.481 2.604 2.834 1.00 1.00 O ATOM 409 CB VAL A 90 7.464 5.460 2.820 1.00 1.00 C ATOM 410 CG1 VAL A 90 6.105 5.583 3.512 1.00 1.00 C ATOM 411 CG2 VAL A 90 8.309 6.716 3.043 1.00 1.00 C ATOM 0 H VAL A 90 8.987 4.190 1.345 1.00 1.00 H new ATOM 0 HA VAL A 90 8.750 4.489 4.193 1.00 1.00 H new ATOM 0 HB VAL A 90 7.287 5.362 1.749 1.00 1.00 H new ATOM 0 HG11 VAL A 90 5.598 6.481 3.160 1.00 1.00 H new ATOM 0 HG12 VAL A 90 5.498 4.708 3.279 1.00 1.00 H new ATOM 0 HG13 VAL A 90 6.250 5.647 4.590 1.00 1.00 H new ATOM 0 HG21 VAL A 90 7.757 7.591 2.700 1.00 1.00 H new ATOM 0 HG22 VAL A 90 8.532 6.821 4.105 1.00 1.00 H new ATOM 0 HG23 VAL A 90 9.240 6.632 2.483 1.00 1.00 H new ATOM 421 N LEU A 91 7.381 2.624 4.908 1.00 1.00 N ATOM 422 CA LEU A 91 6.552 1.537 5.400 1.00 1.00 C ATOM 423 C LEU A 91 5.700 2.039 6.567 1.00 1.00 C ATOM 424 O LEU A 91 5.119 1.243 7.304 1.00 1.00 O ATOM 425 CB LEU A 91 7.413 0.320 5.745 1.00 1.00 C ATOM 426 CG LEU A 91 7.341 -0.852 4.765 1.00 1.00 C ATOM 427 CD1 LEU A 91 8.438 -1.878 5.056 1.00 1.00 C ATOM 428 CD2 LEU A 91 5.949 -1.485 4.768 1.00 1.00 C ATOM 0 H LEU A 91 8.035 3.005 5.592 1.00 1.00 H new ATOM 0 HA LEU A 91 5.864 1.201 4.624 1.00 1.00 H new ATOM 0 HB2 LEU A 91 8.451 0.643 5.818 1.00 1.00 H new ATOM 0 HB3 LEU A 91 7.121 -0.039 6.732 1.00 1.00 H new ATOM 0 HG LEU A 91 7.517 -0.468 3.760 1.00 1.00 H new ATOM 0 HD11 LEU A 91 8.364 -2.701 4.345 1.00 1.00 H new ATOM 0 HD12 LEU A 91 9.415 -1.403 4.962 1.00 1.00 H new ATOM 0 HD13 LEU A 91 8.318 -2.262 6.069 1.00 1.00 H new ATOM 0 HD21 LEU A 91 5.926 -2.316 4.063 1.00 1.00 H new ATOM 0 HD22 LEU A 91 5.718 -1.852 5.768 1.00 1.00 H new ATOM 0 HD23 LEU A 91 5.210 -0.739 4.475 1.00 1.00 H new ATOM 440 N GLY A 92 5.653 3.357 6.700 1.00 1.00 N ATOM 441 CA GLY A 92 4.882 3.974 7.766 1.00 1.00 C ATOM 442 C GLY A 92 4.185 5.245 7.273 1.00 1.00 C ATOM 443 O GLY A 92 4.728 5.972 6.442 1.00 1.00 O ATOM 0 H GLY A 92 6.136 4.014 6.087 1.00 1.00 H new ATOM 0 HA2 GLY A 92 4.139 3.268 8.138 1.00 1.00 H new ATOM 0 HA3 GLY A 92 5.539 4.216 8.602 1.00 1.00 H new ATOM 447 N TYR A 93 2.994 5.472 7.806 1.00 1.00 N ATOM 448 CA TYR A 93 2.218 6.642 7.431 1.00 1.00 C ATOM 449 C TYR A 93 1.447 7.197 8.631 1.00 1.00 C ATOM 450 O TYR A 93 0.831 6.441 9.381 1.00 1.00 O ATOM 451 CB TYR A 93 1.219 6.165 6.375 1.00 1.00 C ATOM 452 CG TYR A 93 1.747 5.040 5.482 1.00 1.00 C ATOM 453 CD1 TYR A 93 1.688 3.731 5.913 1.00 1.00 C ATOM 454 CD2 TYR A 93 2.283 5.336 4.245 1.00 1.00 C ATOM 455 CE1 TYR A 93 2.185 2.673 5.073 1.00 1.00 C ATOM 456 CE2 TYR A 93 2.780 4.278 3.405 1.00 1.00 C ATOM 457 CZ TYR A 93 2.707 2.998 3.860 1.00 1.00 C ATOM 458 OH TYR A 93 3.176 1.999 3.066 1.00 1.00 O ATOM 0 H TYR A 93 2.547 4.866 8.494 1.00 1.00 H new ATOM 0 HA TYR A 93 2.871 7.433 7.062 1.00 1.00 H new ATOM 0 HB2 TYR A 93 0.313 5.823 6.875 1.00 1.00 H new ATOM 0 HB3 TYR A 93 0.937 7.011 5.748 1.00 1.00 H new ATOM 0 HD1 TYR A 93 1.269 3.500 6.881 1.00 1.00 H new ATOM 0 HD2 TYR A 93 2.329 6.361 3.908 1.00 1.00 H new ATOM 0 HE1 TYR A 93 2.144 1.644 5.399 1.00 1.00 H new ATOM 0 HE2 TYR A 93 3.202 4.496 2.435 1.00 1.00 H new ATOM 0 HH TYR A 93 3.040 2.238 2.125 1.00 1.00 H new ATOM 468 N ASN A 94 1.508 8.512 8.776 1.00 1.00 N ATOM 469 CA ASN A 94 0.824 9.177 9.872 1.00 1.00 C ATOM 470 C ASN A 94 -0.688 9.099 9.646 1.00 1.00 C ATOM 471 O ASN A 94 -1.152 8.358 8.782 1.00 1.00 O ATOM 472 CB ASN A 94 1.215 10.654 9.951 1.00 1.00 C ATOM 473 CG ASN A 94 0.441 11.482 8.923 1.00 1.00 C ATOM 474 OD1 ASN A 94 -0.530 12.154 9.233 1.00 1.00 O ATOM 475 ND2 ASN A 94 0.922 11.396 7.687 1.00 1.00 N ATOM 0 H ASN A 94 2.021 9.135 8.152 1.00 1.00 H new ATOM 0 HA ASN A 94 1.109 8.679 10.799 1.00 1.00 H new ATOM 0 HB2 ASN A 94 1.016 11.033 10.953 1.00 1.00 H new ATOM 0 HB3 ASN A 94 2.286 10.760 9.777 1.00 1.00 H new ATOM 0 HD21 ASN A 94 0.475 11.911 6.929 1.00 1.00 H new ATOM 0 HD22 ASN A 94 1.738 10.815 7.497 1.00 1.00 H new ATOM 482 N HIS A 95 -1.413 9.876 10.438 1.00 1.00 N ATOM 483 CA HIS A 95 -2.862 9.905 10.335 1.00 1.00 C ATOM 484 C HIS A 95 -3.280 10.902 9.252 1.00 1.00 C ATOM 485 O HIS A 95 -3.808 10.510 8.213 1.00 1.00 O ATOM 486 CB HIS A 95 -3.497 10.204 11.694 1.00 1.00 C ATOM 487 CG HIS A 95 -2.795 11.289 12.474 1.00 1.00 C ATOM 488 ND1 HIS A 95 -1.582 11.089 13.111 1.00 1.00 N ATOM 489 CD2 HIS A 95 -3.146 12.585 12.713 1.00 1.00 C ATOM 490 CE1 HIS A 95 -1.230 12.221 13.704 1.00 1.00 C ATOM 491 NE2 HIS A 95 -2.201 13.146 13.457 1.00 1.00 N ATOM 0 H HIS A 95 -1.024 10.490 11.154 1.00 1.00 H new ATOM 0 HA HIS A 95 -3.229 8.923 10.036 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -4.536 10.495 11.542 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -3.505 9.291 12.289 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -4.042 13.072 12.357 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -0.332 12.382 14.281 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -2.201 14.110 13.789 1.00 1.00 H new ATOM 499 N ASN A 96 -3.027 12.172 9.533 1.00 1.00 N ATOM 500 CA ASN A 96 -3.371 13.228 8.596 1.00 1.00 C ATOM 501 C ASN A 96 -3.054 12.765 7.173 1.00 1.00 C ATOM 502 O ASN A 96 -3.961 12.519 6.380 1.00 1.00 O ATOM 503 CB ASN A 96 -2.559 14.495 8.873 1.00 1.00 C ATOM 504 CG ASN A 96 -2.909 15.083 10.241 1.00 1.00 C ATOM 505 OD1 ASN A 96 -4.039 15.450 10.517 1.00 1.00 O ATOM 506 ND2 ASN A 96 -1.879 15.152 11.080 1.00 1.00 N ATOM 0 H ASN A 96 -2.588 12.493 10.396 1.00 1.00 H new ATOM 0 HA ASN A 96 -4.433 13.447 8.710 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -1.494 14.265 8.834 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -2.754 15.233 8.095 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -2.010 15.530 12.018 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -0.958 14.827 10.785 1.00 1.00 H new ATOM 513 N GLY A 97 -1.763 12.660 6.893 1.00 1.00 N ATOM 514 CA GLY A 97 -1.315 12.230 5.579 1.00 1.00 C ATOM 515 C GLY A 97 -0.378 13.265 4.954 1.00 1.00 C ATOM 516 O GLY A 97 -0.431 13.509 3.749 1.00 1.00 O ATOM 0 H GLY A 97 -1.013 12.865 7.553 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -0.802 11.272 5.661 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -2.177 12.075 4.930 1.00 1.00 H new ATOM 520 N GLU A 98 0.459 13.846 5.800 1.00 1.00 N ATOM 521 CA GLU A 98 1.407 14.849 5.346 1.00 1.00 C ATOM 522 C GLU A 98 2.820 14.264 5.304 1.00 1.00 C ATOM 523 O GLU A 98 3.609 14.601 4.423 1.00 1.00 O ATOM 524 CB GLU A 98 1.355 16.094 6.234 1.00 1.00 C ATOM 525 CG GLU A 98 1.217 15.711 7.708 1.00 1.00 C ATOM 526 CD GLU A 98 1.517 16.906 8.616 1.00 1.00 C ATOM 527 OE1 GLU A 98 2.352 17.738 8.201 1.00 1.00 O ATOM 528 OE2 GLU A 98 0.905 16.959 9.705 1.00 1.00 O ATOM 0 H GLU A 98 0.501 13.641 6.798 1.00 1.00 H new ATOM 0 HA GLU A 98 1.130 15.151 4.336 1.00 1.00 H new ATOM 0 HB2 GLU A 98 2.260 16.685 6.091 1.00 1.00 H new ATOM 0 HB3 GLU A 98 0.515 16.722 5.938 1.00 1.00 H new ATOM 0 HG2 GLU A 98 0.207 15.348 7.900 1.00 1.00 H new ATOM 0 HG3 GLU A 98 1.899 14.893 7.940 1.00 1.00 H new ATOM 535 N TRP A 99 3.096 13.397 6.267 1.00 1.00 N ATOM 536 CA TRP A 99 4.400 12.762 6.351 1.00 1.00 C ATOM 537 C TRP A 99 4.183 11.258 6.526 1.00 1.00 C ATOM 538 O TRP A 99 3.129 10.829 6.994 1.00 1.00 O ATOM 539 CB TRP A 99 5.239 13.379 7.472 1.00 1.00 C ATOM 540 CG TRP A 99 5.961 14.667 7.072 1.00 1.00 C ATOM 541 CD1 TRP A 99 5.422 15.859 6.783 1.00 1.00 C ATOM 542 CD2 TRP A 99 7.386 14.846 6.929 1.00 1.00 C ATOM 543 NE1 TRP A 99 6.390 16.789 6.464 1.00 1.00 N ATOM 544 CE2 TRP A 99 7.623 16.153 6.556 1.00 1.00 C ATOM 545 CE3 TRP A 99 8.440 13.933 7.108 1.00 1.00 C ATOM 546 CZ2 TRP A 99 8.906 16.666 6.331 1.00 1.00 C ATOM 547 CZ3 TRP A 99 9.716 14.460 6.879 1.00 1.00 C ATOM 548 CH2 TRP A 99 9.972 15.774 6.503 1.00 1.00 C ATOM 0 H TRP A 99 2.439 13.119 6.996 1.00 1.00 H new ATOM 0 HA TRP A 99 4.969 12.928 5.436 1.00 1.00 H new ATOM 0 HB2 TRP A 99 4.592 13.587 8.324 1.00 1.00 H new ATOM 0 HB3 TRP A 99 5.977 12.649 7.803 1.00 1.00 H new ATOM 0 HD1 TRP A 99 4.362 16.066 6.798 1.00 1.00 H new ATOM 0 HE1 TRP A 99 6.231 17.763 6.208 1.00 1.00 H new ATOM 0 HE3 TRP A 99 8.278 12.906 7.399 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 9.065 17.694 6.041 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 10.562 13.800 7.003 1.00 1.00 H new ATOM 0 HH2 TRP A 99 10.988 16.105 6.344 1.00 1.00 H new ATOM 559 N CYS A 100 5.197 10.497 6.141 1.00 1.00 N ATOM 560 CA CYS A 100 5.130 9.050 6.249 1.00 1.00 C ATOM 561 C CYS A 100 6.457 8.549 6.823 1.00 1.00 C ATOM 562 O CYS A 100 7.524 9.020 6.431 1.00 1.00 O ATOM 563 CB CYS A 100 4.807 8.396 4.904 1.00 1.00 C ATOM 564 SG CYS A 100 5.473 9.415 3.537 1.00 1.00 S ATOM 0 H CYS A 100 6.070 10.856 5.754 1.00 1.00 H new ATOM 0 HA CYS A 100 4.317 8.771 6.919 1.00 1.00 H new ATOM 0 HB2 CYS A 100 5.236 7.395 4.865 1.00 1.00 H new ATOM 0 HB3 CYS A 100 3.728 8.285 4.794 1.00 1.00 H new ATOM 0 HG CYS A 100 6.571 9.995 3.923 1.00 1.00 H new ATOM 570 N GLU A 101 6.348 7.601 7.742 1.00 1.00 N ATOM 571 CA GLU A 101 7.526 7.031 8.373 1.00 1.00 C ATOM 572 C GLU A 101 8.169 5.990 7.455 1.00 1.00 C ATOM 573 O GLU A 101 7.471 5.219 6.799 1.00 1.00 O ATOM 574 CB GLU A 101 7.179 6.422 9.733 1.00 1.00 C ATOM 575 CG GLU A 101 8.408 6.376 10.643 1.00 1.00 C ATOM 576 CD GLU A 101 8.373 5.143 11.549 1.00 1.00 C ATOM 577 OE1 GLU A 101 8.038 4.061 11.022 1.00 1.00 O ATOM 578 OE2 GLU A 101 8.682 5.312 12.749 1.00 1.00 O ATOM 0 H GLU A 101 5.462 7.213 8.065 1.00 1.00 H new ATOM 0 HA GLU A 101 8.246 7.832 8.543 1.00 1.00 H new ATOM 0 HB2 GLU A 101 6.392 7.008 10.208 1.00 1.00 H new ATOM 0 HB3 GLU A 101 6.787 5.415 9.595 1.00 1.00 H new ATOM 0 HG2 GLU A 101 9.314 6.361 10.037 1.00 1.00 H new ATOM 0 HG3 GLU A 101 8.448 7.279 11.253 1.00 1.00 H new ATOM 585 N ALA A 102 9.494 6.002 7.437 1.00 1.00 N ATOM 586 CA ALA A 102 10.240 5.069 6.610 1.00 1.00 C ATOM 587 C ALA A 102 11.289 4.359 7.468 1.00 1.00 C ATOM 588 O ALA A 102 11.707 4.880 8.501 1.00 1.00 O ATOM 589 CB ALA A 102 10.862 5.817 5.429 1.00 1.00 C ATOM 0 H ALA A 102 10.070 6.643 7.982 1.00 1.00 H new ATOM 0 HA ALA A 102 9.578 4.306 6.200 1.00 1.00 H new ATOM 0 HB1 ALA A 102 11.422 5.117 4.809 1.00 1.00 H new ATOM 0 HB2 ALA A 102 10.073 6.278 4.834 1.00 1.00 H new ATOM 0 HB3 ALA A 102 11.535 6.590 5.801 1.00 1.00 H new ATOM 595 N GLN A 103 11.684 3.181 7.009 1.00 1.00 N ATOM 596 CA GLN A 103 12.677 2.394 7.721 1.00 1.00 C ATOM 597 C GLN A 103 13.883 2.119 6.821 1.00 1.00 C ATOM 598 O GLN A 103 13.726 1.665 5.689 1.00 1.00 O ATOM 599 CB GLN A 103 12.071 1.089 8.241 1.00 1.00 C ATOM 600 CG GLN A 103 10.938 1.365 9.230 1.00 1.00 C ATOM 601 CD GLN A 103 9.705 0.521 8.902 1.00 1.00 C ATOM 602 OE1 GLN A 103 9.438 0.184 7.760 1.00 1.00 O ATOM 603 NE2 GLN A 103 8.971 0.199 9.963 1.00 1.00 N ATOM 0 H GLN A 103 11.334 2.752 6.152 1.00 1.00 H new ATOM 0 HA GLN A 103 13.017 2.968 8.583 1.00 1.00 H new ATOM 0 HB2 GLN A 103 11.693 0.501 7.405 1.00 1.00 H new ATOM 0 HB3 GLN A 103 12.844 0.493 8.726 1.00 1.00 H new ATOM 0 HG2 GLN A 103 11.274 1.146 10.243 1.00 1.00 H new ATOM 0 HG3 GLN A 103 10.677 2.423 9.203 1.00 1.00 H new ATOM 0 HE21 GLN A 103 9.251 0.514 10.892 1.00 1.00 H new ATOM 0 HE22 GLN A 103 8.128 -0.363 9.848 1.00 1.00 H new ATOM 612 N THR A 104 15.059 2.407 7.358 1.00 1.00 N ATOM 613 CA THR A 104 16.292 2.196 6.617 1.00 1.00 C ATOM 614 C THR A 104 17.287 1.392 7.456 1.00 1.00 C ATOM 615 O THR A 104 17.123 1.265 8.668 1.00 1.00 O ATOM 616 CB THR A 104 16.825 3.565 6.188 1.00 1.00 C ATOM 617 OG1 THR A 104 17.218 4.183 7.410 1.00 1.00 O ATOM 618 CG2 THR A 104 15.724 4.478 5.645 1.00 1.00 C ATOM 0 H THR A 104 15.185 2.785 8.297 1.00 1.00 H new ATOM 0 HA THR A 104 16.118 1.603 5.719 1.00 1.00 H new ATOM 0 HB THR A 104 17.594 3.433 5.427 1.00 1.00 H new ATOM 0 HG1 THR A 104 16.775 3.735 8.160 1.00 1.00 H new ATOM 0 HG21 THR A 104 16.156 5.436 5.355 1.00 1.00 H new ATOM 0 HG22 THR A 104 15.260 4.011 4.776 1.00 1.00 H new ATOM 0 HG23 THR A 104 14.971 4.638 6.416 1.00 1.00 H new ATOM 626 N LYS A 105 18.298 0.870 6.777 1.00 1.00 N ATOM 627 CA LYS A 105 19.320 0.082 7.444 1.00 1.00 C ATOM 628 C LYS A 105 20.153 0.994 8.347 1.00 1.00 C ATOM 629 O LYS A 105 20.740 0.535 9.325 1.00 1.00 O ATOM 630 CB LYS A 105 20.150 -0.696 6.420 1.00 1.00 C ATOM 631 CG LYS A 105 21.000 0.252 5.571 1.00 1.00 C ATOM 632 CD LYS A 105 22.314 -0.413 5.157 1.00 1.00 C ATOM 633 CE LYS A 105 22.150 -1.185 3.846 1.00 1.00 C ATOM 634 NZ LYS A 105 22.911 -2.453 3.892 1.00 1.00 N ATOM 0 H LYS A 105 18.431 0.978 5.771 1.00 1.00 H new ATOM 0 HA LYS A 105 18.862 -0.670 8.086 1.00 1.00 H new ATOM 0 HB2 LYS A 105 20.796 -1.407 6.935 1.00 1.00 H new ATOM 0 HB3 LYS A 105 19.489 -1.275 5.775 1.00 1.00 H new ATOM 0 HG2 LYS A 105 20.443 0.549 4.683 1.00 1.00 H new ATOM 0 HG3 LYS A 105 21.210 1.161 6.134 1.00 1.00 H new ATOM 0 HD2 LYS A 105 23.089 0.345 5.042 1.00 1.00 H new ATOM 0 HD3 LYS A 105 22.646 -1.091 5.943 1.00 1.00 H new ATOM 0 HE2 LYS A 105 21.095 -1.394 3.670 1.00 1.00 H new ATOM 0 HE3 LYS A 105 22.498 -0.575 3.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 22.789 -2.964 2.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 23.920 -2.247 4.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 22.560 -3.040 4.675 1.00 1.00 H new ATOM 648 N ASN A 106 20.177 2.268 7.985 1.00 1.00 N ATOM 649 CA ASN A 106 20.929 3.249 8.750 1.00 1.00 C ATOM 650 C ASN A 106 20.196 3.536 10.062 1.00 1.00 C ATOM 651 O ASN A 106 20.816 3.925 11.051 1.00 1.00 O ATOM 652 CB ASN A 106 21.057 4.566 7.983 1.00 1.00 C ATOM 653 CG ASN A 106 21.620 4.330 6.580 1.00 1.00 C ATOM 654 OD1 ASN A 106 22.165 3.283 6.269 1.00 1.00 O ATOM 655 ND2 ASN A 106 21.459 5.358 5.752 1.00 1.00 N ATOM 0 H ASN A 106 19.688 2.644 7.173 1.00 1.00 H new ATOM 0 HA ASN A 106 21.923 2.842 8.935 1.00 1.00 H new ATOM 0 HB2 ASN A 106 20.081 5.046 7.911 1.00 1.00 H new ATOM 0 HB3 ASN A 106 21.708 5.248 8.530 1.00 1.00 H new ATOM 0 HD21 ASN A 106 21.801 5.299 4.793 1.00 1.00 H new ATOM 0 HD22 ASN A 106 20.994 6.206 6.076 1.00 1.00 H new ATOM 662 N GLY A 107 18.888 3.332 10.029 1.00 1.00 N ATOM 663 CA GLY A 107 18.064 3.564 11.203 1.00 1.00 C ATOM 664 C GLY A 107 16.596 3.750 10.815 1.00 1.00 C ATOM 665 O GLY A 107 16.120 3.137 9.861 1.00 1.00 O ATOM 0 H GLY A 107 18.378 3.008 9.207 1.00 1.00 H new ATOM 0 HA2 GLY A 107 18.158 2.723 11.890 1.00 1.00 H new ATOM 0 HA3 GLY A 107 18.419 4.449 11.732 1.00 1.00 H new ATOM 669 N GLN A 108 15.919 4.598 11.575 1.00 1.00 N ATOM 670 CA GLN A 108 14.514 4.872 11.323 1.00 1.00 C ATOM 671 C GLN A 108 14.186 6.325 11.674 1.00 1.00 C ATOM 672 O GLN A 108 14.512 6.793 12.764 1.00 1.00 O ATOM 673 CB GLN A 108 13.618 3.905 12.099 1.00 1.00 C ATOM 674 CG GLN A 108 13.363 2.629 11.293 1.00 1.00 C ATOM 675 CD GLN A 108 13.000 1.462 12.215 1.00 1.00 C ATOM 676 OE1 GLN A 108 12.793 1.620 13.406 1.00 1.00 O ATOM 677 NE2 GLN A 108 12.936 0.286 11.597 1.00 1.00 N ATOM 0 H GLN A 108 16.317 5.105 12.366 1.00 1.00 H new ATOM 0 HA GLN A 108 14.320 4.722 10.261 1.00 1.00 H new ATOM 0 HB2 GLN A 108 14.087 3.652 13.050 1.00 1.00 H new ATOM 0 HB3 GLN A 108 12.669 4.389 12.331 1.00 1.00 H new ATOM 0 HG2 GLN A 108 12.556 2.799 10.581 1.00 1.00 H new ATOM 0 HG3 GLN A 108 14.251 2.377 10.714 1.00 1.00 H new ATOM 0 HE21 GLN A 108 13.121 0.225 10.596 1.00 1.00 H new ATOM 0 HE22 GLN A 108 12.702 -0.555 12.124 1.00 1.00 H new ATOM 686 N GLY A 109 13.544 6.998 10.730 1.00 1.00 N ATOM 687 CA GLY A 109 13.168 8.387 10.926 1.00 1.00 C ATOM 688 C GLY A 109 11.944 8.749 10.082 1.00 1.00 C ATOM 689 O GLY A 109 11.271 7.868 9.550 1.00 1.00 O ATOM 0 H GLY A 109 13.275 6.607 9.827 1.00 1.00 H new ATOM 0 HA2 GLY A 109 12.953 8.564 11.980 1.00 1.00 H new ATOM 0 HA3 GLY A 109 14.003 9.035 10.658 1.00 1.00 H new ATOM 693 N TRP A 110 11.694 10.046 9.984 1.00 1.00 N ATOM 694 CA TRP A 110 10.564 10.535 9.213 1.00 1.00 C ATOM 695 C TRP A 110 11.038 10.774 7.779 1.00 1.00 C ATOM 696 O TRP A 110 12.229 10.966 7.539 1.00 1.00 O ATOM 697 CB TRP A 110 9.958 11.783 9.859 1.00 1.00 C ATOM 698 CG TRP A 110 8.906 11.482 10.928 1.00 1.00 C ATOM 699 CD1 TRP A 110 9.063 11.470 12.259 1.00 1.00 C ATOM 700 CD2 TRP A 110 7.521 11.147 10.701 1.00 1.00 C ATOM 701 NE1 TRP A 110 7.884 11.154 12.904 1.00 1.00 N ATOM 702 CE2 TRP A 110 6.917 10.951 11.927 1.00 1.00 C ATOM 703 CE3 TRP A 110 6.801 11.015 9.501 1.00 1.00 C ATOM 704 CZ2 TRP A 110 5.566 10.612 12.070 1.00 1.00 C ATOM 705 CZ3 TRP A 110 5.453 10.675 9.661 1.00 1.00 C ATOM 706 CH2 TRP A 110 4.830 10.474 10.887 1.00 1.00 C ATOM 0 H TRP A 110 12.255 10.774 10.426 1.00 1.00 H new ATOM 0 HA TRP A 110 9.761 9.798 9.196 1.00 1.00 H new ATOM 0 HB2 TRP A 110 10.758 12.372 10.307 1.00 1.00 H new ATOM 0 HB3 TRP A 110 9.505 12.399 9.082 1.00 1.00 H new ATOM 0 HD1 TRP A 110 9.994 11.681 12.763 1.00 1.00 H new ATOM 0 HE1 TRP A 110 7.748 11.083 13.912 1.00 1.00 H new ATOM 0 HE3 TRP A 110 7.253 11.164 8.531 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 5.116 10.465 13.041 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 4.855 10.561 8.769 1.00 1.00 H new ATOM 0 HH2 TRP A 110 3.783 10.213 10.927 1.00 1.00 H new ATOM 717 N VAL A 111 10.082 10.756 6.862 1.00 1.00 N ATOM 718 CA VAL A 111 10.387 10.969 5.457 1.00 1.00 C ATOM 719 C VAL A 111 9.112 11.380 4.719 1.00 1.00 C ATOM 720 O VAL A 111 8.107 10.672 4.766 1.00 1.00 O ATOM 721 CB VAL A 111 11.041 9.717 4.868 1.00 1.00 C ATOM 722 CG1 VAL A 111 9.995 8.643 4.564 1.00 1.00 C ATOM 723 CG2 VAL A 111 11.855 10.060 3.619 1.00 1.00 C ATOM 0 H VAL A 111 9.095 10.597 7.065 1.00 1.00 H new ATOM 0 HA VAL A 111 11.105 11.780 5.341 1.00 1.00 H new ATOM 0 HB VAL A 111 11.726 9.314 5.614 1.00 1.00 H new ATOM 0 HG11 VAL A 111 10.487 7.764 4.146 1.00 1.00 H new ATOM 0 HG12 VAL A 111 9.479 8.367 5.484 1.00 1.00 H new ATOM 0 HG13 VAL A 111 9.273 9.031 3.845 1.00 1.00 H new ATOM 0 HG21 VAL A 111 12.309 9.153 3.220 1.00 1.00 H new ATOM 0 HG22 VAL A 111 11.200 10.499 2.867 1.00 1.00 H new ATOM 0 HG23 VAL A 111 12.637 10.773 3.879 1.00 1.00 H new ATOM 733 N PRO A 112 9.195 12.554 4.038 1.00 1.00 N ATOM 734 CA PRO A 112 8.060 13.069 3.291 1.00 1.00 C ATOM 735 C PRO A 112 7.860 12.288 1.991 1.00 1.00 C ATOM 736 O PRO A 112 8.828 11.843 1.375 1.00 1.00 O ATOM 737 CB PRO A 112 8.374 14.538 3.060 1.00 1.00 C ATOM 738 CG PRO A 112 9.871 14.683 3.276 1.00 1.00 C ATOM 739 CD PRO A 112 10.368 13.420 3.961 1.00 1.00 C ATOM 0 HA PRO A 112 7.118 12.957 3.827 1.00 1.00 H new ATOM 0 HB2 PRO A 112 8.093 14.844 2.052 1.00 1.00 H new ATOM 0 HB3 PRO A 112 7.817 15.170 3.751 1.00 1.00 H new ATOM 0 HG2 PRO A 112 10.382 14.827 2.324 1.00 1.00 H new ATOM 0 HG3 PRO A 112 10.085 15.559 3.888 1.00 1.00 H new ATOM 0 HD2 PRO A 112 11.170 12.950 3.392 1.00 1.00 H new ATOM 0 HD3 PRO A 112 10.765 13.637 4.952 1.00 1.00 H new ATOM 747 N SER A 113 6.599 12.147 1.611 1.00 1.00 N ATOM 748 CA SER A 113 6.260 11.428 0.394 1.00 1.00 C ATOM 749 C SER A 113 6.868 12.135 -0.818 1.00 1.00 C ATOM 750 O SER A 113 6.950 11.558 -1.902 1.00 1.00 O ATOM 751 CB SER A 113 4.744 11.305 0.231 1.00 1.00 C ATOM 752 OG SER A 113 4.042 12.259 1.024 1.00 1.00 O ATOM 0 H SER A 113 5.799 12.518 2.124 1.00 1.00 H new ATOM 0 HA SER A 113 6.673 10.422 0.465 1.00 1.00 H new ATOM 0 HB2 SER A 113 4.480 11.441 -0.818 1.00 1.00 H new ATOM 0 HB3 SER A 113 4.430 10.300 0.511 1.00 1.00 H new ATOM 0 HG SER A 113 3.077 12.149 0.891 1.00 1.00 H new ATOM 758 N ASN A 114 7.280 13.375 -0.595 1.00 1.00 N ATOM 759 CA ASN A 114 7.878 14.167 -1.656 1.00 1.00 C ATOM 760 C ASN A 114 9.320 13.708 -1.878 1.00 1.00 C ATOM 761 O ASN A 114 9.923 14.017 -2.905 1.00 1.00 O ATOM 762 CB ASN A 114 7.906 15.651 -1.286 1.00 1.00 C ATOM 763 CG ASN A 114 7.260 16.502 -2.382 1.00 1.00 C ATOM 764 OD1 ASN A 114 7.773 16.638 -3.481 1.00 1.00 O ATOM 765 ND2 ASN A 114 6.110 17.064 -2.024 1.00 1.00 N ATOM 0 H ASN A 114 7.211 13.850 0.305 1.00 1.00 H new ATOM 0 HA ASN A 114 7.280 14.031 -2.557 1.00 1.00 H new ATOM 0 HB2 ASN A 114 7.380 15.805 -0.344 1.00 1.00 H new ATOM 0 HB3 ASN A 114 8.936 15.972 -1.132 1.00 1.00 H new ATOM 0 HD21 ASN A 114 5.601 17.650 -2.686 1.00 1.00 H new ATOM 0 HD22 ASN A 114 5.736 16.909 -1.088 1.00 1.00 H new ATOM 772 N TYR A 115 9.832 12.977 -0.899 1.00 1.00 N ATOM 773 CA TYR A 115 11.193 12.472 -0.974 1.00 1.00 C ATOM 774 C TYR A 115 11.210 11.007 -1.417 1.00 1.00 C ATOM 775 O TYR A 115 12.277 10.431 -1.625 1.00 1.00 O ATOM 776 CB TYR A 115 11.758 12.570 0.444 1.00 1.00 C ATOM 777 CG TYR A 115 12.496 13.880 0.730 1.00 1.00 C ATOM 778 CD1 TYR A 115 11.962 15.079 0.305 1.00 1.00 C ATOM 779 CD2 TYR A 115 13.695 13.861 1.413 1.00 1.00 C ATOM 780 CE1 TYR A 115 12.657 16.312 0.575 1.00 1.00 C ATOM 781 CE2 TYR A 115 14.389 15.093 1.683 1.00 1.00 C ATOM 782 CZ TYR A 115 13.836 16.258 1.250 1.00 1.00 C ATOM 783 OH TYR A 115 14.492 17.422 1.505 1.00 1.00 O ATOM 0 H TYR A 115 9.329 12.722 -0.049 1.00 1.00 H new ATOM 0 HA TYR A 115 11.775 13.044 -1.696 1.00 1.00 H new ATOM 0 HB2 TYR A 115 10.941 12.461 1.158 1.00 1.00 H new ATOM 0 HB3 TYR A 115 12.440 11.736 0.611 1.00 1.00 H new ATOM 0 HD1 TYR A 115 11.024 15.093 -0.230 1.00 1.00 H new ATOM 0 HD2 TYR A 115 14.113 12.922 1.745 1.00 1.00 H new ATOM 0 HE1 TYR A 115 12.251 17.258 0.249 1.00 1.00 H new ATOM 0 HE2 TYR A 115 15.328 15.092 2.217 1.00 1.00 H new ATOM 0 HH TYR A 115 15.319 17.231 1.995 1.00 1.00 H new ATOM 793 N ILE A 116 10.016 10.448 -1.549 1.00 1.00 N ATOM 794 CA ILE A 116 9.881 9.062 -1.964 1.00 1.00 C ATOM 795 C ILE A 116 8.807 8.962 -3.049 1.00 1.00 C ATOM 796 O ILE A 116 7.982 9.862 -3.197 1.00 1.00 O ATOM 797 CB ILE A 116 9.618 8.164 -0.754 1.00 1.00 C ATOM 798 CG1 ILE A 116 8.541 8.766 0.152 1.00 1.00 C ATOM 799 CG2 ILE A 116 10.913 7.878 0.009 1.00 1.00 C ATOM 800 CD1 ILE A 116 7.160 8.205 -0.192 1.00 1.00 C ATOM 0 H ILE A 116 9.134 10.930 -1.376 1.00 1.00 H new ATOM 0 HA ILE A 116 10.812 8.703 -2.402 1.00 1.00 H new ATOM 0 HB ILE A 116 9.239 7.208 -1.115 1.00 1.00 H new ATOM 0 HG12 ILE A 116 8.776 8.551 1.194 1.00 1.00 H new ATOM 0 HG13 ILE A 116 8.534 9.851 0.044 1.00 1.00 H new ATOM 0 HG21 ILE A 116 10.698 7.238 0.864 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.621 7.376 -0.651 1.00 1.00 H new ATOM 0 HG23 ILE A 116 11.345 8.816 0.358 1.00 1.00 H new ATOM 0 HD11 ILE A 116 6.413 8.649 0.466 1.00 1.00 H new ATOM 0 HD12 ILE A 116 6.918 8.443 -1.228 1.00 1.00 H new ATOM 0 HD13 ILE A 116 7.163 7.123 -0.060 1.00 1.00 H new ATOM 812 N THR A 117 8.853 7.858 -3.782 1.00 1.00 N ATOM 813 CA THR A 117 7.895 7.628 -4.849 1.00 1.00 C ATOM 814 C THR A 117 7.497 6.152 -4.899 1.00 1.00 C ATOM 815 O THR A 117 8.255 5.285 -4.467 1.00 1.00 O ATOM 816 CB THR A 117 8.510 8.136 -6.154 1.00 1.00 C ATOM 817 OG1 THR A 117 7.917 7.318 -7.159 1.00 1.00 O ATOM 818 CG2 THR A 117 10.005 7.828 -6.256 1.00 1.00 C ATOM 0 H THR A 117 9.539 7.114 -3.657 1.00 1.00 H new ATOM 0 HA THR A 117 6.969 8.176 -4.674 1.00 1.00 H new ATOM 0 HB THR A 117 8.355 9.212 -6.233 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.259 7.581 -8.039 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.392 8.210 -7.201 1.00 1.00 H new ATOM 0 HG22 THR A 117 10.532 8.304 -5.429 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.158 6.750 -6.211 1.00 1.00 H new ATOM 826 N PRO A 118 6.276 5.904 -5.446 1.00 1.00 N ATOM 827 CA PRO A 118 5.768 4.547 -5.558 1.00 1.00 C ATOM 828 C PRO A 118 6.466 3.793 -6.691 1.00 1.00 C ATOM 829 O PRO A 118 7.165 4.395 -7.505 1.00 1.00 O ATOM 830 CB PRO A 118 4.273 4.704 -5.782 1.00 1.00 C ATOM 831 CG PRO A 118 4.070 6.136 -6.250 1.00 1.00 C ATOM 832 CD PRO A 118 5.351 6.905 -5.968 1.00 1.00 C ATOM 0 HA PRO A 118 5.963 3.950 -4.667 1.00 1.00 H new ATOM 0 HB2 PRO A 118 3.913 3.995 -6.527 1.00 1.00 H new ATOM 0 HB3 PRO A 118 3.718 4.511 -4.864 1.00 1.00 H new ATOM 0 HG2 PRO A 118 3.837 6.160 -7.314 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.228 6.592 -5.729 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.741 7.371 -6.873 1.00 1.00 H new ATOM 0 HD3 PRO A 118 5.183 7.704 -5.246 1.00 1.00 H new ATOM 840 N VAL A 119 6.254 2.485 -6.707 1.00 1.00 N ATOM 841 CA VAL A 119 6.854 1.641 -7.727 1.00 1.00 C ATOM 842 C VAL A 119 6.127 1.859 -9.055 1.00 1.00 C ATOM 843 O VAL A 119 6.238 2.923 -9.661 1.00 1.00 O ATOM 844 CB VAL A 119 6.843 0.181 -7.271 1.00 1.00 C ATOM 845 CG1 VAL A 119 7.422 -0.735 -8.351 1.00 1.00 C ATOM 846 CG2 VAL A 119 7.595 0.014 -5.949 1.00 1.00 C ATOM 0 H VAL A 119 5.675 1.989 -6.030 1.00 1.00 H new ATOM 0 HA VAL A 119 7.899 1.911 -7.881 1.00 1.00 H new ATOM 0 HB VAL A 119 5.806 -0.111 -7.105 1.00 1.00 H new ATOM 0 HG11 VAL A 119 7.403 -1.767 -8.001 1.00 1.00 H new ATOM 0 HG12 VAL A 119 6.826 -0.648 -9.259 1.00 1.00 H new ATOM 0 HG13 VAL A 119 8.451 -0.443 -8.563 1.00 1.00 H new ATOM 0 HG21 VAL A 119 7.572 -1.033 -5.647 1.00 1.00 H new ATOM 0 HG22 VAL A 119 8.630 0.332 -6.076 1.00 1.00 H new ATOM 0 HG23 VAL A 119 7.120 0.624 -5.181 1.00 1.00 H new ATOM 856 N SER A 120 5.398 0.832 -9.469 1.00 1.00 N ATOM 857 CA SER A 120 4.653 0.897 -10.715 1.00 1.00 C ATOM 858 C SER A 120 3.348 1.667 -10.504 1.00 1.00 C ATOM 859 O SER A 120 2.474 1.120 -9.797 1.00 1.00 O ATOM 860 CB SER A 120 4.361 -0.504 -11.256 1.00 1.00 C ATOM 861 OG SER A 120 5.212 -0.842 -12.348 1.00 1.00 O ATOM 862 OXT SER A 120 3.186 2.773 -11.016 1.00 1.00 O ATOM 0 H SER A 120 5.308 -0.049 -8.964 1.00 1.00 H new ATOM 0 HA SER A 120 5.262 1.421 -11.451 1.00 1.00 H new ATOM 0 HB2 SER A 120 4.488 -1.235 -10.457 1.00 1.00 H new ATOM 0 HB3 SER A 120 3.321 -0.560 -11.576 1.00 1.00 H new ATOM 0 HG SER A 120 4.996 -1.744 -12.664 1.00 1.00 H new