USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 GLN :FLIP amide:sc= -0.137 X(o=-0.39,f=-0.13) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= 0.00288 F(o=-1.2,f=-0.13) USER MOD Single : A 10 SER OG : rot -176:sc= -2.34! USER MOD Single : A 11 TYR OH : rot -24:sc= -0.445! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.703 USER MOD Single : A 17 SER OG : rot -41:sc= 0.797 USER MOD Single : A 26 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -48:sc= 0.243 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 80:sc= 0.547 USER MOD Single : A 55 HIS :FLIP no HE2:sc= 0.00112 F(o=-1.5,f=0.0011) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0542 USER MOD Single : A 59 ASN : amide:sc= -0.0582 K(o=-0.058,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 70 SER OG : rot 54:sc= 0.0861 USER MOD Single : A 71 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-8.1!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -10:sc= -0.673 USER MOD Single : A 78 ASN : amide:sc= 0.602 K(o=0.6,f=-4.4!) USER MOD Single : A 79 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.55!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 40:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 71 N LEU A 6 5.745 -5.965 1.595 1.00 0.00 N ATOM 72 CA LEU A 6 6.220 -6.792 0.496 1.00 0.00 C ATOM 73 C LEU A 6 7.748 -6.870 0.553 1.00 0.00 C ATOM 74 O LEU A 6 8.404 -5.977 1.095 1.00 0.00 O ATOM 75 CB LEU A 6 5.776 -6.191 -0.855 1.00 0.00 C ATOM 76 CG LEU A 6 4.316 -6.437 -1.280 1.00 0.00 C ATOM 77 CD1 LEU A 6 4.037 -7.926 -1.410 1.00 0.00 C ATOM 78 CD2 LEU A 6 3.342 -5.792 -0.304 1.00 0.00 C ATOM 0 HA LEU A 6 5.796 -7.792 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.942 -5.114 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.428 -6.588 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 6 4.170 -5.973 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.000 -8.077 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.699 -8.356 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.211 -8.414 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.320 -5.983 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.490 -6.214 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.518 -4.717 -0.272 1.00 0.00 H new ATOM 90 N PRO A 7 8.330 -7.966 0.059 1.00 0.00 N ATOM 91 CA PRO A 7 9.784 -8.103 -0.087 1.00 0.00 C ATOM 92 C PRO A 7 10.405 -6.968 -0.896 1.00 0.00 C ATOM 93 O PRO A 7 9.761 -6.388 -1.767 1.00 0.00 O ATOM 94 CB PRO A 7 9.950 -9.422 -0.846 1.00 0.00 C ATOM 95 CG PRO A 7 8.590 -9.775 -1.335 1.00 0.00 C ATOM 96 CD PRO A 7 7.631 -9.184 -0.357 1.00 0.00 C ATOM 0 HA PRO A 7 10.281 -8.077 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.649 -9.312 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.347 -10.201 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.421 -9.377 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.467 -10.856 -1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.666 -8.964 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.441 -9.852 0.483 1.00 0.00 H new ATOM 104 N ILE A 8 11.680 -6.685 -0.616 1.00 0.00 N ATOM 105 CA ILE A 8 12.417 -5.619 -1.304 1.00 0.00 C ATOM 106 C ILE A 8 12.473 -5.834 -2.813 1.00 0.00 C ATOM 107 O ILE A 8 12.624 -4.883 -3.576 1.00 0.00 O ATOM 108 CB ILE A 8 13.863 -5.442 -0.768 1.00 0.00 C ATOM 109 CG1 ILE A 8 14.402 -6.716 -0.108 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.929 -4.273 0.199 1.00 0.00 C ATOM 111 CD1 ILE A 8 14.545 -7.890 -1.052 1.00 0.00 C ATOM 0 H ILE A 8 12.227 -7.182 0.087 1.00 0.00 H new ATOM 0 HA ILE A 8 11.855 -4.710 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 8 14.501 -5.233 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.374 -6.499 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.737 -6.999 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.949 -4.162 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.626 -3.360 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.259 -4.457 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.932 -8.751 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.572 -8.137 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.235 -7.629 -1.855 1.00 0.00 H new ATOM 123 N ALA A 9 12.344 -7.082 -3.244 1.00 0.00 N ATOM 124 CA ALA A 9 12.356 -7.395 -4.662 1.00 0.00 C ATOM 125 C ALA A 9 11.046 -6.978 -5.311 1.00 0.00 C ATOM 126 O ALA A 9 10.991 -6.713 -6.510 1.00 0.00 O ATOM 127 CB ALA A 9 12.611 -8.872 -4.883 1.00 0.00 C ATOM 0 H ALA A 9 12.230 -7.890 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 9 13.166 -6.835 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.616 -9.084 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.576 -9.143 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.825 -9.453 -4.401 1.00 0.00 H new ATOM 133 N SER A 10 9.991 -6.900 -4.509 1.00 0.00 N ATOM 134 CA SER A 10 8.690 -6.488 -5.012 1.00 0.00 C ATOM 135 C SER A 10 8.653 -4.987 -5.290 1.00 0.00 C ATOM 136 O SER A 10 7.710 -4.492 -5.907 1.00 0.00 O ATOM 137 CB SER A 10 7.595 -6.883 -4.027 1.00 0.00 C ATOM 138 OG SER A 10 7.585 -8.287 -3.837 1.00 0.00 O ATOM 0 H SER A 10 10.012 -7.116 -3.512 1.00 0.00 H new ATOM 0 HA SER A 10 8.512 -7.002 -5.957 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.757 -6.382 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.625 -6.553 -4.400 1.00 0.00 H new ATOM 0 HG SER A 10 6.839 -8.533 -3.251 1.00 0.00 H new ATOM 144 N TYR A 11 9.669 -4.263 -4.827 1.00 0.00 N ATOM 145 CA TYR A 11 9.801 -2.850 -5.155 1.00 0.00 C ATOM 146 C TYR A 11 11.076 -2.604 -5.948 1.00 0.00 C ATOM 147 O TYR A 11 11.533 -1.466 -6.047 1.00 0.00 O ATOM 148 CB TYR A 11 9.863 -1.981 -3.911 1.00 0.00 C ATOM 149 CG TYR A 11 9.047 -2.464 -2.751 1.00 0.00 C ATOM 150 CD1 TYR A 11 9.654 -3.150 -1.718 1.00 0.00 C ATOM 151 CD2 TYR A 11 7.687 -2.213 -2.672 1.00 0.00 C ATOM 152 CE1 TYR A 11 8.931 -3.572 -0.631 1.00 0.00 C ATOM 153 CE2 TYR A 11 6.955 -2.637 -1.592 1.00 0.00 C ATOM 154 CZ TYR A 11 7.578 -3.312 -0.578 1.00 0.00 C ATOM 155 OH TYR A 11 6.851 -3.706 0.503 1.00 0.00 O ATOM 0 H TYR A 11 10.408 -4.631 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 11 8.920 -2.586 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.903 -1.902 -3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.532 -0.976 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.713 -3.357 -1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.197 -1.677 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.417 -4.102 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.894 -2.439 -1.543 1.00 0.00 H new ATOM 0 HH TYR A 11 7.302 -4.455 0.945 1.00 0.00 H new ATOM 165 N ALA A 12 11.670 -3.669 -6.480 1.00 0.00 N ATOM 166 CA ALA A 12 12.923 -3.543 -7.217 1.00 0.00 C ATOM 167 C ALA A 12 12.769 -2.581 -8.396 1.00 0.00 C ATOM 168 O ALA A 12 12.055 -2.874 -9.357 1.00 0.00 O ATOM 169 CB ALA A 12 13.395 -4.904 -7.701 1.00 0.00 C ATOM 0 H ALA A 12 11.308 -4.620 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 12 13.674 -3.134 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.331 -4.791 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.553 -5.560 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.641 -5.338 -8.357 1.00 0.00 H new ATOM 175 N GLY A 13 13.428 -1.430 -8.299 1.00 0.00 N ATOM 176 CA GLY A 13 13.344 -0.418 -9.335 1.00 0.00 C ATOM 177 C GLY A 13 12.012 0.290 -9.328 1.00 0.00 C ATOM 178 O GLY A 13 11.551 0.780 -10.360 1.00 0.00 O ATOM 0 H GLY A 13 14.025 -1.179 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.142 0.311 -9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.503 -0.882 -10.308 1.00 0.00 H new ATOM 182 N LEU A 14 11.398 0.361 -8.157 1.00 0.00 N ATOM 183 CA LEU A 14 10.063 0.917 -8.033 1.00 0.00 C ATOM 184 C LEU A 14 10.025 2.006 -6.978 1.00 0.00 C ATOM 185 O LEU A 14 10.895 2.088 -6.108 1.00 0.00 O ATOM 186 CB LEU A 14 9.057 -0.181 -7.682 1.00 0.00 C ATOM 187 CG LEU A 14 8.956 -1.318 -8.700 1.00 0.00 C ATOM 188 CD1 LEU A 14 7.947 -2.355 -8.240 1.00 0.00 C ATOM 189 CD2 LEU A 14 8.584 -0.781 -10.074 1.00 0.00 C ATOM 0 H LEU A 14 11.805 0.040 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 14 9.792 1.355 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.327 -0.604 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.072 0.273 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 14 9.932 -1.797 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.888 -3.157 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.260 -2.766 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.968 -1.888 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.518 -1.607 -10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.621 -0.273 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.346 -0.077 -10.408 1.00 0.00 H new ATOM 201 N THR A 15 9.009 2.840 -7.067 1.00 0.00 N ATOM 202 CA THR A 15 8.850 3.952 -6.156 1.00 0.00 C ATOM 203 C THR A 15 7.770 3.629 -5.126 1.00 0.00 C ATOM 204 O THR A 15 6.618 3.379 -5.477 1.00 0.00 O ATOM 205 CB THR A 15 8.473 5.226 -6.933 1.00 0.00 C ATOM 206 OG1 THR A 15 8.936 5.122 -8.291 1.00 0.00 O ATOM 207 CG2 THR A 15 9.089 6.461 -6.296 1.00 0.00 C ATOM 0 H THR A 15 8.274 2.766 -7.770 1.00 0.00 H new ATOM 0 HA THR A 15 9.795 4.123 -5.640 1.00 0.00 H new ATOM 0 HB THR A 15 7.388 5.324 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.693 5.934 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.805 7.345 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.730 6.560 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.175 6.365 -6.292 1.00 0.00 H new ATOM 215 N VAL A 16 8.156 3.619 -3.864 1.00 0.00 N ATOM 216 CA VAL A 16 7.258 3.248 -2.780 1.00 0.00 C ATOM 217 C VAL A 16 6.938 4.446 -1.905 1.00 0.00 C ATOM 218 O VAL A 16 7.703 5.403 -1.830 1.00 0.00 O ATOM 219 CB VAL A 16 7.861 2.135 -1.917 1.00 0.00 C ATOM 220 CG1 VAL A 16 8.183 0.935 -2.777 1.00 0.00 C ATOM 221 CG2 VAL A 16 9.094 2.621 -1.187 1.00 0.00 C ATOM 0 H VAL A 16 9.097 3.867 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 16 6.338 2.882 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 16 7.128 1.842 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.611 0.147 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.271 0.570 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.900 1.221 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.502 1.811 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.842 2.945 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.828 3.458 -0.541 1.00 0.00 H new ATOM 231 N SER A 17 5.795 4.387 -1.256 1.00 0.00 N ATOM 232 CA SER A 17 5.312 5.490 -0.452 1.00 0.00 C ATOM 233 C SER A 17 6.095 5.596 0.847 1.00 0.00 C ATOM 234 O SER A 17 6.715 4.626 1.259 1.00 0.00 O ATOM 235 CB SER A 17 3.835 5.278 -0.172 1.00 0.00 C ATOM 236 OG SER A 17 3.191 4.741 -1.311 1.00 0.00 O ATOM 0 H SER A 17 5.176 3.576 -1.270 1.00 0.00 H new ATOM 0 HA SER A 17 5.452 6.425 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.712 4.604 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.371 6.225 0.104 1.00 0.00 H new ATOM 0 HG SER A 17 3.529 5.184 -2.117 1.00 0.00 H new ATOM 242 N ALA A 18 6.070 6.754 1.489 1.00 0.00 N ATOM 243 CA ALA A 18 6.835 6.961 2.716 1.00 0.00 C ATOM 244 C ALA A 18 6.561 5.872 3.770 1.00 0.00 C ATOM 245 O ALA A 18 7.506 5.313 4.315 1.00 0.00 O ATOM 246 CB ALA A 18 6.577 8.348 3.283 1.00 0.00 C ATOM 0 H ALA A 18 5.531 7.565 1.184 1.00 0.00 H new ATOM 0 HA ALA A 18 7.890 6.884 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.156 8.481 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.873 9.101 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.516 8.458 3.507 1.00 0.00 H new ATOM 252 N PRO A 19 5.277 5.531 4.067 1.00 0.00 N ATOM 253 CA PRO A 19 4.951 4.482 5.053 1.00 0.00 C ATOM 254 C PRO A 19 5.634 3.142 4.764 1.00 0.00 C ATOM 255 O PRO A 19 6.048 2.442 5.684 1.00 0.00 O ATOM 256 CB PRO A 19 3.432 4.339 4.931 1.00 0.00 C ATOM 257 CG PRO A 19 2.975 5.664 4.441 1.00 0.00 C ATOM 258 CD PRO A 19 4.051 6.145 3.514 1.00 0.00 C ATOM 0 HA PRO A 19 5.297 4.756 6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.162 3.544 4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.978 4.092 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.019 5.582 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.831 6.359 5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.869 5.826 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.116 7.233 3.503 1.00 0.00 H new ATOM 266 N VAL A 20 5.759 2.793 3.488 1.00 0.00 N ATOM 267 CA VAL A 20 6.403 1.547 3.097 1.00 0.00 C ATOM 268 C VAL A 20 7.912 1.747 2.986 1.00 0.00 C ATOM 269 O VAL A 20 8.685 0.887 3.384 1.00 0.00 O ATOM 270 CB VAL A 20 5.805 0.975 1.773 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.205 2.071 0.914 1.00 0.00 C ATOM 272 CG2 VAL A 20 6.843 0.194 0.967 1.00 0.00 C ATOM 0 H VAL A 20 5.422 3.357 2.707 1.00 0.00 H new ATOM 0 HA VAL A 20 6.208 0.808 3.874 1.00 0.00 H new ATOM 0 HB VAL A 20 5.012 0.287 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.798 1.636 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.407 2.570 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.977 2.796 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.384 -0.186 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.673 0.851 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.213 -0.641 1.562 1.00 0.00 H new ATOM 282 N PHE A 21 8.312 2.909 2.489 1.00 0.00 N ATOM 283 CA PHE A 21 9.715 3.257 2.334 1.00 0.00 C ATOM 284 C PHE A 21 10.416 3.288 3.687 1.00 0.00 C ATOM 285 O PHE A 21 11.422 2.613 3.895 1.00 0.00 O ATOM 286 CB PHE A 21 9.836 4.627 1.666 1.00 0.00 C ATOM 287 CG PHE A 21 11.228 4.944 1.226 1.00 0.00 C ATOM 288 CD1 PHE A 21 12.099 5.608 2.066 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.670 4.553 -0.022 1.00 0.00 C ATOM 290 CE1 PHE A 21 13.393 5.873 1.672 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.958 4.819 -0.429 1.00 0.00 C ATOM 292 CZ PHE A 21 13.825 5.476 0.420 1.00 0.00 C ATOM 0 H PHE A 21 7.669 3.639 2.181 1.00 0.00 H new ATOM 0 HA PHE A 21 10.191 2.500 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.171 4.664 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.498 5.395 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.763 5.923 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.997 4.032 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.067 6.389 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.289 4.514 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.838 5.680 0.107 1.00 0.00 H new ATOM 302 N ALA A 22 9.866 4.069 4.604 1.00 0.00 N ATOM 303 CA ALA A 22 10.451 4.237 5.923 1.00 0.00 C ATOM 304 C ALA A 22 10.437 2.928 6.695 1.00 0.00 C ATOM 305 O ALA A 22 11.382 2.614 7.416 1.00 0.00 O ATOM 306 CB ALA A 22 9.711 5.314 6.696 1.00 0.00 C ATOM 0 H ALA A 22 9.008 4.600 4.456 1.00 0.00 H new ATOM 0 HA ALA A 22 11.489 4.546 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.161 5.428 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.775 6.259 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.665 5.029 6.805 1.00 0.00 H new ATOM 312 N ALA A 23 9.374 2.153 6.521 1.00 0.00 N ATOM 313 CA ALA A 23 9.253 0.874 7.195 1.00 0.00 C ATOM 314 C ALA A 23 10.218 -0.124 6.580 1.00 0.00 C ATOM 315 O ALA A 23 10.786 -0.968 7.269 1.00 0.00 O ATOM 316 CB ALA A 23 7.827 0.370 7.114 1.00 0.00 C ATOM 0 H ALA A 23 8.586 2.391 5.919 1.00 0.00 H new ATOM 0 HA ALA A 23 9.507 0.998 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.751 -0.590 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.160 1.088 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.543 0.249 6.069 1.00 0.00 H new ATOM 322 N LEU A 24 10.403 -0.006 5.279 1.00 0.00 N ATOM 323 CA LEU A 24 11.399 -0.777 4.565 1.00 0.00 C ATOM 324 C LEU A 24 12.787 -0.446 5.081 1.00 0.00 C ATOM 325 O LEU A 24 13.557 -1.331 5.385 1.00 0.00 O ATOM 326 CB LEU A 24 11.324 -0.454 3.086 1.00 0.00 C ATOM 327 CG LEU A 24 10.771 -1.539 2.168 1.00 0.00 C ATOM 328 CD1 LEU A 24 9.623 -2.293 2.815 1.00 0.00 C ATOM 329 CD2 LEU A 24 10.314 -0.886 0.884 1.00 0.00 C ATOM 0 H LEU A 24 9.866 0.628 4.688 1.00 0.00 H new ATOM 0 HA LEU A 24 11.204 -1.838 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.709 0.438 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.327 -0.199 2.744 1.00 0.00 H new ATOM 0 HG LEU A 24 11.556 -2.268 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.257 -3.057 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.970 -2.766 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.816 -1.598 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.914 -1.645 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.539 -0.152 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.159 -0.389 0.408 1.00 0.00 H new ATOM 341 N VAL A 25 13.103 0.836 5.177 1.00 0.00 N ATOM 342 CA VAL A 25 14.388 1.265 5.726 1.00 0.00 C ATOM 343 C VAL A 25 14.525 0.805 7.175 1.00 0.00 C ATOM 344 O VAL A 25 15.622 0.536 7.663 1.00 0.00 O ATOM 345 CB VAL A 25 14.570 2.797 5.659 1.00 0.00 C ATOM 346 CG1 VAL A 25 15.892 3.207 6.285 1.00 0.00 C ATOM 347 CG2 VAL A 25 14.498 3.284 4.223 1.00 0.00 C ATOM 0 H VAL A 25 12.492 1.598 4.884 1.00 0.00 H new ATOM 0 HA VAL A 25 15.164 0.806 5.113 1.00 0.00 H new ATOM 0 HB VAL A 25 13.759 3.259 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.001 4.290 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.912 2.895 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.712 2.731 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.629 4.366 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.286 2.810 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.527 3.026 3.800 1.00 0.00 H new ATOM 357 N THR A 26 13.399 0.699 7.847 1.00 0.00 N ATOM 358 CA THR A 26 13.368 0.215 9.217 1.00 0.00 C ATOM 359 C THR A 26 13.761 -1.265 9.282 1.00 0.00 C ATOM 360 O THR A 26 14.399 -1.714 10.234 1.00 0.00 O ATOM 361 CB THR A 26 11.964 0.409 9.835 1.00 0.00 C ATOM 362 OG1 THR A 26 11.650 1.807 9.914 1.00 0.00 O ATOM 363 CG2 THR A 26 11.881 -0.209 11.219 1.00 0.00 C ATOM 0 H THR A 26 12.485 0.943 7.466 1.00 0.00 H new ATOM 0 HA THR A 26 14.090 0.796 9.791 1.00 0.00 H new ATOM 0 HB THR A 26 11.243 -0.093 9.190 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.219 2.093 9.082 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.882 -0.056 11.627 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.086 -1.277 11.153 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.615 0.262 11.872 1.00 0.00 H new ATOM 371 N VAL A 27 13.397 -2.006 8.246 1.00 0.00 N ATOM 372 CA VAL A 27 13.583 -3.441 8.216 1.00 0.00 C ATOM 373 C VAL A 27 14.773 -3.828 7.337 1.00 0.00 C ATOM 374 O VAL A 27 15.749 -4.417 7.800 1.00 0.00 O ATOM 375 CB VAL A 27 12.290 -4.093 7.690 1.00 0.00 C ATOM 376 CG1 VAL A 27 12.467 -5.574 7.463 1.00 0.00 C ATOM 377 CG2 VAL A 27 11.148 -3.812 8.640 1.00 0.00 C ATOM 0 H VAL A 27 12.965 -1.625 7.404 1.00 0.00 H new ATOM 0 HA VAL A 27 13.796 -3.796 9.224 1.00 0.00 H new ATOM 0 HB VAL A 27 12.052 -3.653 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.534 -5.999 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.257 -5.738 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.737 -6.056 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.237 -4.276 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.383 -4.222 9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.999 -2.735 8.722 1.00 0.00 H new ATOM 387 N TYR A 28 14.682 -3.458 6.076 1.00 0.00 N ATOM 388 CA TYR A 28 15.686 -3.777 5.069 1.00 0.00 C ATOM 389 C TYR A 28 16.810 -2.750 5.083 1.00 0.00 C ATOM 390 O TYR A 28 17.951 -3.038 4.713 1.00 0.00 O ATOM 391 CB TYR A 28 15.019 -3.808 3.695 1.00 0.00 C ATOM 392 CG TYR A 28 13.842 -4.747 3.653 1.00 0.00 C ATOM 393 CD1 TYR A 28 14.022 -6.115 3.519 1.00 0.00 C ATOM 394 CD2 TYR A 28 12.552 -4.263 3.774 1.00 0.00 C ATOM 395 CE1 TYR A 28 12.942 -6.974 3.507 1.00 0.00 C ATOM 396 CE2 TYR A 28 11.470 -5.110 3.760 1.00 0.00 C ATOM 397 CZ TYR A 28 11.668 -6.466 3.628 1.00 0.00 C ATOM 398 OH TYR A 28 10.589 -7.314 3.626 1.00 0.00 O ATOM 0 H TYR A 28 13.897 -2.918 5.711 1.00 0.00 H new ATOM 0 HA TYR A 28 16.119 -4.752 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.689 -2.803 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 28 15.750 -4.111 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 28 15.021 -6.514 3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 28 12.392 -3.200 3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.095 -8.038 3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.469 -4.714 3.852 1.00 0.00 H new ATOM 0 HH TYR A 28 9.764 -6.794 3.721 1.00 0.00 H new ATOM 408 N GLY A 29 16.475 -1.546 5.515 1.00 0.00 N ATOM 409 CA GLY A 29 17.453 -0.490 5.585 1.00 0.00 C ATOM 410 C GLY A 29 17.540 0.283 4.293 1.00 0.00 C ATOM 411 O GLY A 29 17.049 -0.169 3.256 1.00 0.00 O ATOM 0 H GLY A 29 15.538 -1.283 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.196 0.189 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.429 -0.914 5.821 1.00 0.00 H new ATOM 415 N ALA A 30 18.156 1.451 4.350 1.00 0.00 N ATOM 416 CA ALA A 30 18.367 2.252 3.157 1.00 0.00 C ATOM 417 C ALA A 30 19.354 1.551 2.235 1.00 0.00 C ATOM 418 O ALA A 30 19.365 1.780 1.029 1.00 0.00 O ATOM 419 CB ALA A 30 18.866 3.639 3.529 1.00 0.00 C ATOM 0 H ALA A 30 18.518 1.865 5.209 1.00 0.00 H new ATOM 0 HA ALA A 30 17.419 2.366 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 30 19.019 4.226 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 30 18.129 4.133 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.809 3.554 4.069 1.00 0.00 H new ATOM 425 N TYR A 31 20.174 0.689 2.827 1.00 0.00 N ATOM 426 CA TYR A 31 21.154 -0.095 2.095 1.00 0.00 C ATOM 427 C TYR A 31 20.456 -1.059 1.142 1.00 0.00 C ATOM 428 O TYR A 31 20.700 -1.034 -0.062 1.00 0.00 O ATOM 429 CB TYR A 31 22.016 -0.863 3.095 1.00 0.00 C ATOM 430 CG TYR A 31 23.439 -1.097 2.647 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.814 -2.281 2.031 1.00 0.00 C ATOM 432 CD2 TYR A 31 24.411 -0.131 2.859 1.00 0.00 C ATOM 433 CE1 TYR A 31 25.123 -2.494 1.637 1.00 0.00 C ATOM 434 CE2 TYR A 31 25.719 -0.334 2.467 1.00 0.00 C ATOM 435 CZ TYR A 31 26.071 -1.517 1.858 1.00 0.00 C ATOM 436 OH TYR A 31 27.378 -1.724 1.468 1.00 0.00 O ATOM 0 H TYR A 31 20.175 0.516 3.832 1.00 0.00 H new ATOM 0 HA TYR A 31 21.785 0.567 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 31 22.031 -0.316 4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 31 21.548 -1.827 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 31 23.074 -3.048 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 31 24.140 0.797 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 31 25.401 -3.421 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 31 26.462 0.431 2.637 1.00 0.00 H new ATOM 0 HH TYR A 31 27.916 -0.937 1.696 1.00 0.00 H new ATOM 446 N ALA A 32 19.570 -1.893 1.682 1.00 0.00 N ATOM 447 CA ALA A 32 18.844 -2.859 0.875 1.00 0.00 C ATOM 448 C ALA A 32 17.911 -2.167 -0.108 1.00 0.00 C ATOM 449 O ALA A 32 17.784 -2.590 -1.255 1.00 0.00 O ATOM 450 CB ALA A 32 18.066 -3.817 1.756 1.00 0.00 C ATOM 0 H ALA A 32 19.341 -1.916 2.676 1.00 0.00 H new ATOM 0 HA ALA A 32 19.576 -3.429 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.530 -4.532 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.755 -4.352 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.353 -3.257 2.361 1.00 0.00 H new ATOM 456 N LEU A 33 17.263 -1.095 0.334 1.00 0.00 N ATOM 457 CA LEU A 33 16.378 -0.346 -0.544 1.00 0.00 C ATOM 458 C LEU A 33 17.153 0.266 -1.705 1.00 0.00 C ATOM 459 O LEU A 33 16.684 0.274 -2.838 1.00 0.00 O ATOM 460 CB LEU A 33 15.626 0.732 0.242 1.00 0.00 C ATOM 461 CG LEU A 33 14.192 0.365 0.591 1.00 0.00 C ATOM 462 CD1 LEU A 33 14.154 -0.937 1.371 1.00 0.00 C ATOM 463 CD2 LEU A 33 13.553 1.481 1.388 1.00 0.00 C ATOM 0 H LEU A 33 17.333 -0.730 1.284 1.00 0.00 H new ATOM 0 HA LEU A 33 15.645 -1.037 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.170 0.940 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.622 1.653 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 33 13.628 0.227 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.121 -1.186 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.588 -1.735 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.726 -0.826 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.526 1.211 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.117 1.640 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.555 2.397 0.798 1.00 0.00 H new ATOM 475 N TYR A 34 18.357 0.736 -1.425 1.00 0.00 N ATOM 476 CA TYR A 34 19.224 1.281 -2.456 1.00 0.00 C ATOM 477 C TYR A 34 19.679 0.164 -3.383 1.00 0.00 C ATOM 478 O TYR A 34 19.870 0.365 -4.583 1.00 0.00 O ATOM 479 CB TYR A 34 20.429 1.974 -1.809 1.00 0.00 C ATOM 480 CG TYR A 34 21.623 2.119 -2.723 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.749 3.209 -3.573 1.00 0.00 C ATOM 482 CD2 TYR A 34 22.623 1.155 -2.730 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.840 3.334 -4.410 1.00 0.00 C ATOM 484 CE2 TYR A 34 23.718 1.274 -3.564 1.00 0.00 C ATOM 485 CZ TYR A 34 23.822 2.365 -4.401 1.00 0.00 C ATOM 486 OH TYR A 34 24.910 2.487 -5.235 1.00 0.00 O ATOM 0 H TYR A 34 18.758 0.751 -0.487 1.00 0.00 H new ATOM 0 HA TYR A 34 18.676 2.019 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.125 2.963 -1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.728 1.409 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.983 3.970 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.543 0.300 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.924 4.186 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 34 24.488 0.517 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 34 25.509 1.722 -5.105 1.00 0.00 H new ATOM 496 N ARG A 35 19.806 -1.024 -2.812 1.00 0.00 N ATOM 497 CA ARG A 35 20.294 -2.182 -3.536 1.00 0.00 C ATOM 498 C ARG A 35 19.307 -2.609 -4.607 1.00 0.00 C ATOM 499 O ARG A 35 19.690 -3.081 -5.678 1.00 0.00 O ATOM 500 CB ARG A 35 20.535 -3.331 -2.568 1.00 0.00 C ATOM 501 CG ARG A 35 21.893 -3.306 -1.908 1.00 0.00 C ATOM 502 CD ARG A 35 22.062 -4.501 -0.990 1.00 0.00 C ATOM 503 NE ARG A 35 23.426 -4.618 -0.481 1.00 0.00 N ATOM 504 CZ ARG A 35 23.837 -5.591 0.335 1.00 0.00 C ATOM 505 NH1 ARG A 35 22.968 -6.465 0.823 1.00 0.00 N ATOM 506 NH2 ARG A 35 25.116 -5.676 0.678 1.00 0.00 N ATOM 0 H ARG A 35 19.574 -1.210 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 35 21.232 -1.913 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.767 -3.308 -1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.420 -4.273 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.673 -3.312 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.010 -2.384 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.370 -4.414 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.798 -5.411 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 35 24.106 -3.913 -0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.981 -6.395 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.286 -7.207 1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.787 -4.997 0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.428 -6.420 1.302 1.00 0.00 H new ATOM 520 N TYR A 36 18.033 -2.440 -4.307 1.00 0.00 N ATOM 521 CA TYR A 36 16.977 -2.831 -5.226 1.00 0.00 C ATOM 522 C TYR A 36 16.403 -1.635 -5.966 1.00 0.00 C ATOM 523 O TYR A 36 15.413 -1.762 -6.671 1.00 0.00 O ATOM 524 CB TYR A 36 15.876 -3.570 -4.470 1.00 0.00 C ATOM 525 CG TYR A 36 16.320 -4.929 -4.004 1.00 0.00 C ATOM 526 CD1 TYR A 36 15.979 -6.067 -4.715 1.00 0.00 C ATOM 527 CD2 TYR A 36 17.103 -5.069 -2.873 1.00 0.00 C ATOM 528 CE1 TYR A 36 16.410 -7.313 -4.307 1.00 0.00 C ATOM 529 CE2 TYR A 36 17.536 -6.306 -2.453 1.00 0.00 C ATOM 530 CZ TYR A 36 17.189 -7.430 -3.175 1.00 0.00 C ATOM 531 OH TYR A 36 17.630 -8.672 -2.774 1.00 0.00 O ATOM 0 H TYR A 36 17.702 -2.034 -3.432 1.00 0.00 H new ATOM 0 HA TYR A 36 17.411 -3.497 -5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.567 -2.976 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 36 15.003 -3.676 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 36 15.368 -5.978 -5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 36 17.380 -4.191 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 36 16.138 -8.193 -4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.143 -6.397 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 36 18.168 -8.581 -1.960 1.00 0.00 H new ATOM 541 N ASN A 37 17.059 -0.487 -5.820 1.00 0.00 N ATOM 542 CA ASN A 37 16.602 0.771 -6.417 1.00 0.00 C ATOM 543 C ASN A 37 15.169 1.070 -5.998 1.00 0.00 C ATOM 544 O ASN A 37 14.296 1.349 -6.824 1.00 0.00 O ATOM 545 CB ASN A 37 16.705 0.751 -7.944 1.00 0.00 C ATOM 546 CG ASN A 37 16.542 2.140 -8.543 1.00 0.00 C ATOM 547 OD1 ASN A 37 16.935 3.139 -7.938 1.00 0.00 O ATOM 548 ND2 ASN A 37 15.941 2.219 -9.718 1.00 0.00 N ATOM 0 H ASN A 37 17.923 -0.399 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 37 17.258 1.560 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.671 0.341 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.941 0.089 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.789 3.129 -10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.629 1.370 -10.189 1.00 0.00 H new ATOM 555 N ILE A 38 14.931 0.977 -4.711 1.00 0.00 N ATOM 556 CA ILE A 38 13.647 1.313 -4.156 1.00 0.00 C ATOM 557 C ILE A 38 13.639 2.778 -3.768 1.00 0.00 C ATOM 558 O ILE A 38 14.418 3.220 -2.922 1.00 0.00 O ATOM 559 CB ILE A 38 13.325 0.430 -2.944 1.00 0.00 C ATOM 560 CG1 ILE A 38 13.366 -1.039 -3.361 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.966 0.790 -2.366 1.00 0.00 C ATOM 562 CD1 ILE A 38 13.132 -1.997 -2.227 1.00 0.00 C ATOM 0 H ILE A 38 15.619 0.668 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 38 12.877 1.134 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 38 14.072 0.599 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.613 -1.210 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.336 -1.253 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.756 0.153 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.969 1.834 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.197 0.642 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.176 -3.020 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.900 -1.855 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.150 -1.812 -1.791 1.00 0.00 H new ATOM 574 N ARG A 39 12.769 3.524 -4.412 1.00 0.00 N ATOM 575 CA ARG A 39 12.736 4.964 -4.267 1.00 0.00 C ATOM 576 C ARG A 39 11.454 5.391 -3.583 1.00 0.00 C ATOM 577 O ARG A 39 10.543 4.593 -3.427 1.00 0.00 O ATOM 578 CB ARG A 39 12.883 5.619 -5.635 1.00 0.00 C ATOM 579 CG ARG A 39 12.235 4.837 -6.752 1.00 0.00 C ATOM 580 CD ARG A 39 12.627 5.369 -8.115 1.00 0.00 C ATOM 581 NE ARG A 39 11.679 4.956 -9.143 1.00 0.00 N ATOM 582 CZ ARG A 39 11.988 4.826 -10.433 1.00 0.00 C ATOM 583 NH1 ARG A 39 13.217 5.097 -10.855 1.00 0.00 N ATOM 584 NH2 ARG A 39 11.065 4.432 -11.301 1.00 0.00 N ATOM 0 H ARG A 39 12.066 3.151 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 39 13.568 5.288 -3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.445 6.617 -5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.943 5.743 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.522 3.788 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.151 4.879 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.677 6.457 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.624 5.012 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 39 10.721 4.754 -8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.928 5.406 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.451 4.997 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.118 4.228 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.302 4.333 -12.288 1.00 0.00 H new ATOM 598 N ARG A 40 11.387 6.640 -3.166 1.00 0.00 N ATOM 599 CA ARG A 40 10.248 7.103 -2.385 1.00 0.00 C ATOM 600 C ARG A 40 9.332 7.982 -3.223 1.00 0.00 C ATOM 601 O ARG A 40 9.788 8.871 -3.942 1.00 0.00 O ATOM 602 CB ARG A 40 10.721 7.848 -1.142 1.00 0.00 C ATOM 603 CG ARG A 40 9.664 7.944 -0.055 1.00 0.00 C ATOM 604 CD ARG A 40 10.212 8.623 1.186 1.00 0.00 C ATOM 605 NE ARG A 40 10.340 10.065 1.004 1.00 0.00 N ATOM 606 CZ ARG A 40 11.133 10.847 1.731 1.00 0.00 C ATOM 607 NH1 ARG A 40 11.872 10.331 2.707 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.177 12.149 1.488 1.00 0.00 N ATOM 0 H ARG A 40 12.097 7.349 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 40 9.677 6.230 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.600 7.345 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.031 8.854 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.805 8.501 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.310 6.945 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.554 8.420 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.186 8.200 1.431 1.00 0.00 H new ATOM 0 HE ARG A 40 9.784 10.503 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.833 9.331 2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.478 10.935 3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.604 12.549 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.784 12.751 2.044 1.00 0.00 H new ATOM 686 N TYR A 45 -3.233 8.515 -2.696 1.00 0.00 N ATOM 687 CA TYR A 45 -4.255 7.630 -3.243 1.00 0.00 C ATOM 688 C TYR A 45 -3.859 6.158 -3.113 1.00 0.00 C ATOM 689 O TYR A 45 -2.959 5.813 -2.352 1.00 0.00 O ATOM 690 CB TYR A 45 -4.521 7.992 -4.706 1.00 0.00 C ATOM 691 CG TYR A 45 -3.375 7.695 -5.644 1.00 0.00 C ATOM 692 CD1 TYR A 45 -2.288 8.552 -5.728 1.00 0.00 C ATOM 693 CD2 TYR A 45 -3.387 6.565 -6.452 1.00 0.00 C ATOM 694 CE1 TYR A 45 -1.246 8.297 -6.588 1.00 0.00 C ATOM 695 CE2 TYR A 45 -2.345 6.299 -7.314 1.00 0.00 C ATOM 696 CZ TYR A 45 -1.278 7.169 -7.381 1.00 0.00 C ATOM 697 OH TYR A 45 -0.244 6.910 -8.246 1.00 0.00 O ATOM 0 HA TYR A 45 -5.169 7.768 -2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.403 7.449 -5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.758 9.054 -4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.259 9.435 -5.107 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.225 5.885 -6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.408 8.976 -6.642 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.364 5.414 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.423 6.076 -8.729 1.00 0.00 H new ATOM 707 N GLN A 46 -4.542 5.313 -3.874 1.00 0.00 N ATOM 708 CA GLN A 46 -4.393 3.856 -3.803 1.00 0.00 C ATOM 709 C GLN A 46 -3.118 3.333 -4.472 1.00 0.00 C ATOM 710 O GLN A 46 -3.159 2.465 -5.346 1.00 0.00 O ATOM 711 CB GLN A 46 -5.568 3.209 -4.495 1.00 0.00 C ATOM 712 CG GLN A 46 -5.677 3.617 -5.961 1.00 0.00 C ATOM 713 CD GLN A 46 -6.814 2.954 -6.695 1.00 0.00 C ATOM 714 OE1 GLN A 46 -7.927 3.643 -6.768 1.00 0.00 O flip ATOM 715 NE2 GLN A 46 -6.676 1.851 -7.223 1.00 0.00 N flip ATOM 0 H GLN A 46 -5.224 5.619 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.339 3.605 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.473 2.125 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.487 3.481 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.801 4.698 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.742 3.376 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.790 1.352 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.447 1.435 -7.745 1.00 0.00 H new ATOM 724 N ARG A 47 -1.995 3.803 -4.027 1.00 0.00 N ATOM 725 CA ARG A 47 -0.730 3.425 -4.634 1.00 0.00 C ATOM 726 C ARG A 47 -0.155 2.168 -3.962 1.00 0.00 C ATOM 727 O ARG A 47 1.041 2.061 -3.684 1.00 0.00 O ATOM 728 CB ARG A 47 0.255 4.605 -4.614 1.00 0.00 C ATOM 729 CG ARG A 47 0.996 4.850 -3.302 1.00 0.00 C ATOM 730 CD ARG A 47 0.160 5.554 -2.239 1.00 0.00 C ATOM 731 NE ARG A 47 -0.757 4.662 -1.520 1.00 0.00 N ATOM 732 CZ ARG A 47 -0.380 3.671 -0.709 1.00 0.00 C ATOM 733 NH1 ARG A 47 0.907 3.372 -0.551 1.00 0.00 N ATOM 734 NH2 ARG A 47 -1.299 2.983 -0.048 1.00 0.00 N ATOM 0 H ARG A 47 -1.915 4.452 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.904 3.172 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.994 4.446 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.293 5.512 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.338 3.894 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.885 5.447 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.828 6.029 -1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.417 6.349 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.758 4.810 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.619 3.903 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.181 2.612 0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.287 3.212 -0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.019 2.224 0.574 1.00 0.00 H new ATOM 748 N ILE A 48 -1.034 1.206 -3.730 1.00 0.00 N ATOM 749 CA ILE A 48 -0.668 -0.037 -3.065 1.00 0.00 C ATOM 750 C ILE A 48 -0.213 -1.082 -4.080 1.00 0.00 C ATOM 751 O ILE A 48 -0.845 -1.258 -5.122 1.00 0.00 O ATOM 752 CB ILE A 48 -1.856 -0.610 -2.263 1.00 0.00 C ATOM 753 CG1 ILE A 48 -2.433 0.460 -1.335 1.00 0.00 C ATOM 754 CG2 ILE A 48 -1.417 -1.828 -1.463 1.00 0.00 C ATOM 755 CD1 ILE A 48 -3.711 0.048 -0.638 1.00 0.00 C ATOM 0 H ILE A 48 -2.017 1.263 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 48 0.151 0.192 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.633 -0.919 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.687 0.714 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.622 1.364 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.266 -2.221 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.045 -2.595 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.626 -1.542 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.055 0.861 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.475 -0.177 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.525 -0.837 -0.030 1.00 0.00 H new ATOM 767 N ARG A 49 0.878 -1.773 -3.770 1.00 0.00 N ATOM 768 CA ARG A 49 1.389 -2.831 -4.633 1.00 0.00 C ATOM 769 C ARG A 49 0.857 -4.189 -4.202 1.00 0.00 C ATOM 770 O ARG A 49 1.622 -5.113 -3.923 1.00 0.00 O ATOM 771 CB ARG A 49 2.917 -2.821 -4.646 1.00 0.00 C ATOM 772 CG ARG A 49 3.488 -1.660 -5.444 1.00 0.00 C ATOM 773 CD ARG A 49 3.185 -1.816 -6.927 1.00 0.00 C ATOM 774 NE ARG A 49 3.638 -0.672 -7.716 1.00 0.00 N ATOM 775 CZ ARG A 49 3.280 -0.459 -8.985 1.00 0.00 C ATOM 776 NH1 ARG A 49 2.455 -1.301 -9.597 1.00 0.00 N ATOM 777 NH2 ARG A 49 3.737 0.602 -9.636 1.00 0.00 N ATOM 0 H ARG A 49 1.427 -1.619 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 49 1.038 -2.643 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.285 -2.768 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.279 -3.759 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.068 -0.722 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.566 -1.606 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.664 -2.722 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.111 -1.944 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 49 4.263 0.002 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.093 -2.113 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.184 -1.135 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.363 1.257 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.463 0.763 -10.605 1.00 0.00 H new ATOM 791 N SER A 50 -0.470 -4.284 -4.166 1.00 0.00 N ATOM 792 CA SER A 50 -1.170 -5.513 -3.831 1.00 0.00 C ATOM 793 C SER A 50 -0.794 -6.046 -2.441 1.00 0.00 C ATOM 794 O SER A 50 -0.136 -5.364 -1.649 1.00 0.00 O ATOM 795 CB SER A 50 -0.883 -6.554 -4.905 1.00 0.00 C ATOM 796 OG SER A 50 -1.197 -6.058 -6.196 1.00 0.00 O ATOM 0 H SER A 50 -1.091 -3.501 -4.371 1.00 0.00 H new ATOM 0 HA SER A 50 -2.238 -5.297 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.168 -6.839 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.464 -7.455 -4.707 1.00 0.00 H new ATOM 0 HG SER A 50 -2.086 -5.645 -6.181 1.00 0.00 H new ATOM 802 N ASP A 51 -1.275 -7.249 -2.140 1.00 0.00 N ATOM 803 CA ASP A 51 -0.967 -7.927 -0.890 1.00 0.00 C ATOM 804 C ASP A 51 -1.195 -9.423 -1.042 1.00 0.00 C ATOM 805 O ASP A 51 -0.249 -10.202 -1.148 1.00 0.00 O ATOM 806 CB ASP A 51 -1.831 -7.392 0.254 1.00 0.00 C ATOM 807 CG ASP A 51 -1.304 -7.809 1.613 1.00 0.00 C ATOM 808 OD1 ASP A 51 -1.670 -8.902 2.093 1.00 0.00 O ATOM 809 OD2 ASP A 51 -0.522 -7.043 2.208 1.00 0.00 O ATOM 0 H ASP A 51 -1.889 -7.779 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 51 0.079 -7.737 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.870 -6.304 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.852 -7.754 0.136 1.00 0.00 H new ATOM 814 N HIS A 52 -2.459 -9.820 -1.068 1.00 0.00 N ATOM 815 CA HIS A 52 -2.811 -11.224 -1.253 1.00 0.00 C ATOM 816 C HIS A 52 -4.155 -11.343 -1.959 1.00 0.00 C ATOM 817 O HIS A 52 -4.223 -11.729 -3.125 1.00 0.00 O ATOM 818 CB HIS A 52 -2.859 -11.950 0.095 1.00 0.00 C ATOM 819 CG HIS A 52 -2.310 -13.343 0.039 1.00 0.00 C ATOM 820 ND1 HIS A 52 -3.089 -14.477 0.137 1.00 0.00 N ATOM 821 CD2 HIS A 52 -1.036 -13.776 -0.097 1.00 0.00 C ATOM 822 CE1 HIS A 52 -2.315 -15.545 0.061 1.00 0.00 C ATOM 823 NE2 HIS A 52 -1.067 -15.147 -0.082 1.00 0.00 N ATOM 0 H HIS A 52 -3.257 -9.193 -0.964 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.045 -11.691 -1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.296 -11.375 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.891 -11.988 0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.157 -13.157 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.649 -16.571 0.108 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.256 -15.759 -0.168 1.00 0.00 H new ATOM 832 N ASP A 53 -5.221 -10.983 -1.253 1.00 0.00 N ATOM 833 CA ASP A 53 -6.571 -11.025 -1.817 1.00 0.00 C ATOM 834 C ASP A 53 -6.926 -9.656 -2.365 1.00 0.00 C ATOM 835 O ASP A 53 -8.098 -9.313 -2.515 1.00 0.00 O ATOM 836 CB ASP A 53 -7.602 -11.416 -0.750 1.00 0.00 C ATOM 837 CG ASP A 53 -7.179 -12.616 0.065 1.00 0.00 C ATOM 838 OD1 ASP A 53 -7.559 -13.750 -0.295 1.00 0.00 O ATOM 839 OD2 ASP A 53 -6.461 -12.429 1.073 1.00 0.00 O ATOM 0 H ASP A 53 -5.179 -10.658 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.589 -11.772 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.766 -10.570 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.555 -11.630 -1.234 1.00 0.00 H new ATOM 844 N SER A 54 -5.897 -8.868 -2.630 1.00 0.00 N ATOM 845 CA SER A 54 -6.068 -7.489 -3.031 1.00 0.00 C ATOM 846 C SER A 54 -6.592 -7.374 -4.458 1.00 0.00 C ATOM 847 O SER A 54 -6.274 -8.191 -5.321 1.00 0.00 O ATOM 848 CB SER A 54 -4.735 -6.771 -2.881 1.00 0.00 C ATOM 849 OG SER A 54 -3.674 -7.585 -3.344 1.00 0.00 O ATOM 0 H SER A 54 -4.924 -9.169 -2.572 1.00 0.00 H new ATOM 0 HA SER A 54 -6.815 -7.023 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.754 -5.836 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.571 -6.512 -1.835 1.00 0.00 H new ATOM 0 HG SER A 54 -3.630 -7.540 -4.322 1.00 0.00 H new ATOM 855 N HIS A 55 -7.392 -6.344 -4.689 1.00 0.00 N ATOM 856 CA HIS A 55 -7.988 -6.092 -5.998 1.00 0.00 C ATOM 857 C HIS A 55 -8.529 -4.678 -6.055 1.00 0.00 C ATOM 858 O HIS A 55 -8.437 -3.937 -5.082 1.00 0.00 O ATOM 859 CB HIS A 55 -9.110 -7.084 -6.336 1.00 0.00 C ATOM 860 CG HIS A 55 -10.197 -7.167 -5.310 1.00 0.00 C ATOM 861 ND1 HIS A 55 -10.199 -7.744 -4.096 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 -11.460 -6.641 -5.486 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 -11.447 -7.569 -3.554 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 -12.189 -6.897 -4.416 1.00 0.00 N flip ATOM 0 H HIS A 55 -7.648 -5.659 -3.978 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.200 -6.225 -6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.551 -6.802 -7.292 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.674 -8.075 -6.466 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.414 -8.225 -3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.798 -6.105 -6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.769 -7.921 -2.585 1.00 0.00 H new ATOM 873 N SER A 56 -9.087 -4.314 -7.188 1.00 0.00 N ATOM 874 CA SER A 56 -9.657 -2.988 -7.367 1.00 0.00 C ATOM 875 C SER A 56 -11.095 -2.927 -6.848 1.00 0.00 C ATOM 876 O SER A 56 -11.804 -3.937 -6.826 1.00 0.00 O ATOM 877 CB SER A 56 -9.600 -2.609 -8.846 1.00 0.00 C ATOM 878 OG SER A 56 -9.973 -3.710 -9.661 1.00 0.00 O ATOM 0 H SER A 56 -9.161 -4.918 -8.006 1.00 0.00 H new ATOM 0 HA SER A 56 -9.072 -2.274 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.266 -1.767 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.592 -2.284 -9.105 1.00 0.00 H new ATOM 0 HG SER A 56 -9.932 -3.447 -10.604 1.00 0.00 H new ATOM 884 N CYS A 57 -11.501 -1.747 -6.400 1.00 0.00 N ATOM 885 CA CYS A 57 -12.871 -1.507 -5.967 1.00 0.00 C ATOM 886 C CYS A 57 -13.202 -0.023 -6.096 1.00 0.00 C ATOM 887 O CYS A 57 -12.362 0.764 -6.545 1.00 0.00 O ATOM 888 CB CYS A 57 -13.061 -1.961 -4.519 1.00 0.00 C ATOM 889 SG CYS A 57 -11.903 -1.184 -3.348 1.00 0.00 S ATOM 0 H CYS A 57 -10.893 -0.932 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.545 -2.082 -6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -14.082 -1.737 -4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.943 -3.043 -4.469 1.00 0.00 H new ATOM 894 N ALA A 58 -14.425 0.350 -5.720 1.00 0.00 N ATOM 895 CA ALA A 58 -14.871 1.742 -5.759 1.00 0.00 C ATOM 896 C ALA A 58 -14.809 2.293 -7.175 1.00 0.00 C ATOM 897 O ALA A 58 -14.543 3.475 -7.378 1.00 0.00 O ATOM 898 CB ALA A 58 -14.042 2.601 -4.806 1.00 0.00 C ATOM 0 H ALA A 58 -15.132 -0.302 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.910 1.774 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.390 3.633 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.151 2.225 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.993 2.559 -5.098 1.00 0.00 H new ATOM 904 N ASN A 59 -15.075 1.427 -8.148 1.00 0.00 N ATOM 905 CA ASN A 59 -14.916 1.765 -9.566 1.00 0.00 C ATOM 906 C ASN A 59 -13.468 2.162 -9.834 1.00 0.00 C ATOM 907 O ASN A 59 -13.188 3.159 -10.498 1.00 0.00 O ATOM 908 CB ASN A 59 -15.878 2.885 -9.990 1.00 0.00 C ATOM 909 CG ASN A 59 -17.335 2.449 -9.977 1.00 0.00 C ATOM 910 OD1 ASN A 59 -17.733 1.582 -9.196 1.00 0.00 O ATOM 911 ND2 ASN A 59 -18.142 3.046 -10.837 1.00 0.00 N ATOM 0 H ASN A 59 -15.405 0.476 -7.982 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.164 0.887 -10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.753 3.737 -9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -15.614 3.224 -10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.130 2.793 -10.869 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.777 3.759 -11.468 1.00 0.00 H new ATOM 918 N ASN A 60 -12.564 1.366 -9.268 1.00 0.00 N ATOM 919 CA ASN A 60 -11.116 1.577 -9.350 1.00 0.00 C ATOM 920 C ASN A 60 -10.706 2.900 -8.702 1.00 0.00 C ATOM 921 O ASN A 60 -9.623 3.418 -8.964 1.00 0.00 O ATOM 922 CB ASN A 60 -10.614 1.528 -10.795 1.00 0.00 C ATOM 923 CG ASN A 60 -9.186 0.997 -10.915 1.00 0.00 C ATOM 924 OD1 ASN A 60 -8.387 1.110 -9.853 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -8.804 0.468 -11.958 1.00 0.00 N flip ATOM 0 H ASN A 60 -12.820 0.539 -8.728 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.651 0.759 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.280 0.898 -11.384 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.660 2.529 -11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.437 0.395 -12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.854 0.102 -12.026 1.00 0.00 H new ATOM 932 N ARG A 61 -11.562 3.437 -7.848 1.00 0.00 N ATOM 933 CA ARG A 61 -11.220 4.632 -7.088 1.00 0.00 C ATOM 934 C ARG A 61 -10.660 4.238 -5.731 1.00 0.00 C ATOM 935 O ARG A 61 -10.295 5.088 -4.925 1.00 0.00 O ATOM 936 CB ARG A 61 -12.433 5.548 -6.924 1.00 0.00 C ATOM 937 CG ARG A 61 -12.869 6.212 -8.220 1.00 0.00 C ATOM 938 CD ARG A 61 -14.167 6.980 -8.038 1.00 0.00 C ATOM 939 NE ARG A 61 -15.289 6.091 -7.747 1.00 0.00 N ATOM 940 CZ ARG A 61 -16.537 6.505 -7.551 1.00 0.00 C ATOM 941 NH1 ARG A 61 -16.813 7.803 -7.528 1.00 0.00 N ATOM 942 NH2 ARG A 61 -17.509 5.623 -7.358 1.00 0.00 N ATOM 0 H ARG A 61 -12.495 3.068 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.460 5.185 -7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.265 4.968 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.200 6.319 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.088 6.890 -8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.997 5.455 -8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.053 7.699 -7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.381 7.551 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.103 5.090 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.067 8.486 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.771 8.118 -7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.300 4.625 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.466 5.943 -7.208 1.00 0.00 H new ATOM 956 N GLY A 62 -10.592 2.936 -5.494 1.00 0.00 N ATOM 957 CA GLY A 62 -9.978 2.428 -4.289 1.00 0.00 C ATOM 958 C GLY A 62 -9.355 1.065 -4.511 1.00 0.00 C ATOM 959 O GLY A 62 -9.895 0.244 -5.253 1.00 0.00 O ATOM 0 H GLY A 62 -10.955 2.219 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.214 3.126 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.726 2.362 -3.499 1.00 0.00 H new ATOM 963 N TRP A 63 -8.188 0.846 -3.933 1.00 0.00 N ATOM 964 CA TRP A 63 -7.582 -0.481 -3.923 1.00 0.00 C ATOM 965 C TRP A 63 -7.976 -1.248 -2.656 1.00 0.00 C ATOM 966 O TRP A 63 -8.032 -0.678 -1.571 1.00 0.00 O ATOM 967 CB TRP A 63 -6.058 -0.379 -4.019 1.00 0.00 C ATOM 968 CG TRP A 63 -5.388 -1.712 -4.092 1.00 0.00 C ATOM 969 CD1 TRP A 63 -4.740 -2.362 -3.085 1.00 0.00 C ATOM 970 CD2 TRP A 63 -5.318 -2.563 -5.235 1.00 0.00 C ATOM 971 NE1 TRP A 63 -4.266 -3.569 -3.533 1.00 0.00 N ATOM 972 CE2 TRP A 63 -4.608 -3.714 -4.855 1.00 0.00 C ATOM 973 CE3 TRP A 63 -5.790 -2.458 -6.543 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -4.358 -4.757 -5.745 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -5.544 -3.489 -7.423 1.00 0.00 C ATOM 976 CH2 TRP A 63 -4.835 -4.626 -7.023 1.00 0.00 C ATOM 0 H TRP A 63 -7.638 1.566 -3.464 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.953 -1.026 -4.791 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.793 0.204 -4.901 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.680 0.165 -3.153 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.617 -1.983 -2.081 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.746 -4.247 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -6.339 -1.584 -6.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.809 -5.635 -5.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.905 -3.418 -8.439 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.660 -5.418 -7.736 1.00 0.00 H new ATOM 987 N CYS A 64 -8.249 -2.538 -2.802 1.00 0.00 N ATOM 988 CA CYS A 64 -8.616 -3.382 -1.669 1.00 0.00 C ATOM 989 C CYS A 64 -7.389 -3.942 -0.969 1.00 0.00 C ATOM 990 O CYS A 64 -6.567 -4.622 -1.589 1.00 0.00 O ATOM 991 CB CYS A 64 -9.498 -4.541 -2.125 1.00 0.00 C ATOM 992 SG CYS A 64 -11.111 -4.038 -2.799 1.00 0.00 S ATOM 0 H CYS A 64 -8.223 -3.026 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.165 -2.754 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.963 -5.112 -2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.663 -5.210 -1.280 1.00 0.00 H new ATOM 997 N ARG A 65 -7.286 -3.674 0.325 1.00 0.00 N ATOM 998 CA ARG A 65 -6.196 -4.185 1.143 1.00 0.00 C ATOM 999 C ARG A 65 -6.764 -4.685 2.472 1.00 0.00 C ATOM 1000 O ARG A 65 -7.898 -4.351 2.815 1.00 0.00 O ATOM 1001 CB ARG A 65 -5.157 -3.085 1.398 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.732 -3.508 1.090 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.723 -2.699 1.892 1.00 0.00 C ATOM 1004 NE ARG A 65 -1.407 -3.337 1.891 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.641 -3.472 2.976 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.030 -2.961 4.140 1.00 0.00 N ATOM 1007 NH2 ARG A 65 0.516 -4.119 2.898 1.00 0.00 N ATOM 0 H ARG A 65 -7.954 -3.097 0.836 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.705 -5.005 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.407 -2.214 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.217 -2.776 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.610 -4.568 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.536 -3.382 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.643 -1.696 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.075 -2.589 2.918 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.053 -3.701 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.918 -2.463 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.441 -3.067 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.821 -4.514 2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.100 -4.221 3.728 1.00 0.00 H new ATOM 1021 N PRO A 66 -6.012 -5.497 3.244 1.00 0.00 N ATOM 1022 CA PRO A 66 -6.474 -5.950 4.551 1.00 0.00 C ATOM 1023 C PRO A 66 -6.454 -4.812 5.566 1.00 0.00 C ATOM 1024 O PRO A 66 -7.202 -4.816 6.544 1.00 0.00 O ATOM 1025 CB PRO A 66 -5.479 -7.046 4.959 1.00 0.00 C ATOM 1026 CG PRO A 66 -4.546 -7.228 3.806 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.681 -6.024 2.920 1.00 0.00 C ATOM 0 HA PRO A 66 -7.502 -6.311 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.933 -6.758 5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.999 -7.976 5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.519 -7.332 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.789 -8.137 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.901 -5.290 3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.603 -6.292 1.866 1.00 0.00 H new ATOM 1035 N THR A 67 -5.593 -3.831 5.314 1.00 0.00 N ATOM 1036 CA THR A 67 -5.461 -2.668 6.179 1.00 0.00 C ATOM 1037 C THR A 67 -4.991 -1.467 5.360 1.00 0.00 C ATOM 1038 O THR A 67 -4.208 -1.622 4.419 1.00 0.00 O ATOM 1039 CB THR A 67 -4.460 -2.929 7.322 1.00 0.00 C ATOM 1040 OG1 THR A 67 -4.708 -4.214 7.907 1.00 0.00 O ATOM 1041 CG2 THR A 67 -4.569 -1.862 8.401 1.00 0.00 C ATOM 0 H THR A 67 -4.970 -3.821 4.507 1.00 0.00 H new ATOM 0 HA THR A 67 -6.438 -2.463 6.617 1.00 0.00 H new ATOM 0 HB THR A 67 -3.456 -2.900 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.067 -4.373 8.631 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.851 -2.072 9.194 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.356 -0.884 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.578 -1.864 8.814 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.453 -0.285 5.732 1.00 0.00 N ATOM 1050 CA CYS A 68 -5.200 0.926 4.962 1.00 0.00 C ATOM 1051 C CYS A 68 -4.230 1.851 5.695 1.00 0.00 C ATOM 1052 O CYS A 68 -4.138 1.819 6.925 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.524 1.646 4.707 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.753 0.630 3.819 1.00 0.00 S ATOM 0 H CYS A 68 -6.012 -0.136 6.572 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.743 0.649 4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.947 1.960 5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.330 2.551 4.132 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.501 2.663 4.934 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.547 3.605 5.514 1.00 0.00 C ATOM 1061 C PHE A 69 -3.125 5.017 5.542 1.00 0.00 C ATOM 1062 O PHE A 69 -4.096 5.317 4.852 1.00 0.00 O ATOM 1063 CB PHE A 69 -1.239 3.604 4.724 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.532 2.282 4.713 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.279 1.918 5.771 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.673 1.405 3.647 1.00 0.00 C ATOM 1067 CE1 PHE A 69 0.939 0.709 5.772 1.00 0.00 C ATOM 1068 CE2 PHE A 69 -0.016 0.192 3.642 1.00 0.00 C ATOM 1069 CZ PHE A 69 0.792 -0.158 4.705 1.00 0.00 C ATOM 0 H PHE A 69 -3.552 2.688 3.916 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.346 3.286 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.448 3.901 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.572 4.357 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.397 2.590 6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.304 1.675 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.571 0.439 6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.134 -0.483 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.308 -1.107 4.703 1.00 0.00 H new ATOM 1079 N SER A 70 -2.501 5.881 6.329 1.00 0.00 N ATOM 1080 CA SER A 70 -2.985 7.246 6.538 1.00 0.00 C ATOM 1081 C SER A 70 -2.852 8.110 5.283 1.00 0.00 C ATOM 1082 O SER A 70 -1.860 8.819 5.115 1.00 0.00 O ATOM 1083 CB SER A 70 -2.222 7.876 7.699 1.00 0.00 C ATOM 1084 OG SER A 70 -0.831 7.605 7.602 1.00 0.00 O ATOM 0 H SER A 70 -1.647 5.661 6.841 1.00 0.00 H new ATOM 0 HA SER A 70 -4.048 7.194 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.386 8.954 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.606 7.490 8.643 1.00 0.00 H new ATOM 0 HG SER A 70 -0.505 7.880 6.720 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.893 8.066 4.443 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.923 8.695 3.116 1.00 0.00 C ATOM 1092 C HIS A 71 -4.952 7.953 2.281 1.00 0.00 C ATOM 1093 O HIS A 71 -5.281 8.344 1.163 1.00 0.00 O ATOM 1094 CB HIS A 71 -2.557 8.691 2.400 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.916 7.341 2.274 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.572 7.116 2.468 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.448 6.148 1.962 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.312 5.838 2.274 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.437 5.229 1.965 1.00 0.00 N ATOM 0 H HIS A 71 -4.760 7.580 4.673 1.00 0.00 H new ATOM 0 HA HIS A 71 -4.184 9.746 3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.684 9.111 1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.878 9.351 2.940 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.115 7.826 2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.488 5.951 1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.658 5.371 2.355 1.00 0.00 H new ATOM 1108 N GLU A 72 -5.420 6.847 2.846 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.552 6.109 2.326 1.00 0.00 C ATOM 1110 C GLU A 72 -7.363 5.590 3.509 1.00 0.00 C ATOM 1111 O GLU A 72 -6.803 5.220 4.541 1.00 0.00 O ATOM 1112 CB GLU A 72 -6.086 4.963 1.426 1.00 0.00 C ATOM 1113 CG GLU A 72 -5.266 3.910 2.160 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.026 3.455 1.410 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.077 2.982 2.074 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.965 3.602 0.170 1.00 0.00 O ATOM 0 H GLU A 72 -5.016 6.437 3.688 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.175 6.760 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.958 4.486 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.491 5.372 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.965 4.309 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.898 3.044 2.355 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.672 5.594 3.382 1.00 0.00 N ATOM 1124 CA TYR A 73 -9.537 5.229 4.491 1.00 0.00 C ATOM 1125 C TYR A 73 -10.328 3.974 4.179 1.00 0.00 C ATOM 1126 O TYR A 73 -10.352 3.504 3.040 1.00 0.00 O ATOM 1127 CB TYR A 73 -10.497 6.376 4.815 1.00 0.00 C ATOM 1128 CG TYR A 73 -11.291 6.856 3.623 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -10.910 7.996 2.936 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -12.418 6.170 3.186 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -11.626 8.443 1.846 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -13.141 6.607 2.096 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.741 7.746 1.428 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.456 8.185 0.341 1.00 0.00 O ATOM 0 H TYR A 73 -9.164 5.845 2.524 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.904 5.032 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.187 6.052 5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.927 7.212 5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.037 8.544 3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.733 5.279 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.316 9.335 1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -14.014 6.062 1.768 1.00 0.00 H new ATOM 0 HH TYR A 73 -14.210 7.580 0.180 1.00 0.00 H new ATOM 1144 N THR A 74 -10.983 3.450 5.201 1.00 0.00 N ATOM 1145 CA THR A 74 -11.828 2.286 5.056 1.00 0.00 C ATOM 1146 C THR A 74 -13.177 2.670 4.466 1.00 0.00 C ATOM 1147 O THR A 74 -14.053 3.170 5.173 1.00 0.00 O ATOM 1148 CB THR A 74 -12.063 1.598 6.414 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.813 1.209 6.991 1.00 0.00 O ATOM 1150 CG2 THR A 74 -12.952 0.378 6.253 1.00 0.00 C ATOM 0 H THR A 74 -10.942 3.821 6.150 1.00 0.00 H new ATOM 0 HA THR A 74 -11.315 1.597 4.385 1.00 0.00 H new ATOM 0 HB THR A 74 -12.561 2.308 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.099 1.318 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.104 -0.092 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.915 0.681 5.842 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.476 -0.332 5.577 1.00 0.00 H new ATOM 1158 N ASP A 75 -13.339 2.461 3.171 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.641 2.631 2.554 1.00 0.00 C ATOM 1160 C ASP A 75 -15.469 1.383 2.813 1.00 0.00 C ATOM 1161 O ASP A 75 -15.124 0.287 2.356 1.00 0.00 O ATOM 1162 CB ASP A 75 -14.526 2.896 1.052 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.879 3.116 0.410 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -16.460 2.140 -0.097 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -16.372 4.266 0.428 1.00 0.00 O ATOM 0 H ASP A 75 -12.595 2.177 2.534 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.128 3.502 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.899 3.772 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.030 2.053 0.572 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.538 1.551 3.577 1.00 0.00 N ATOM 1171 CA TRP A 76 -17.360 0.435 4.018 1.00 0.00 C ATOM 1172 C TRP A 76 -18.334 -0.022 2.938 1.00 0.00 C ATOM 1173 O TRP A 76 -18.821 -1.151 2.974 1.00 0.00 O ATOM 1174 CB TRP A 76 -18.107 0.808 5.297 1.00 0.00 C ATOM 1175 CG TRP A 76 -17.199 0.890 6.486 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.636 2.013 7.023 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.728 -0.207 7.270 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -15.855 1.678 8.100 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -15.892 0.321 8.271 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -16.935 -1.588 7.227 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -15.262 -0.481 9.215 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -16.308 -2.384 8.164 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.479 -1.829 9.146 1.00 0.00 C ATOM 0 H TRP A 76 -16.859 2.461 3.907 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.696 -0.405 4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.605 1.767 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.886 0.070 5.488 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.784 3.017 6.654 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -15.332 2.334 8.679 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.574 -2.025 6.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.624 -0.055 9.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -16.459 -3.453 8.139 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -15.001 -2.479 9.864 1.00 0.00 H new ATOM 1194 N PHE A 77 -18.599 0.842 1.973 1.00 0.00 N ATOM 1195 CA PHE A 77 -19.466 0.487 0.857 1.00 0.00 C ATOM 1196 C PHE A 77 -18.788 -0.574 -0.007 1.00 0.00 C ATOM 1197 O PHE A 77 -19.333 -1.657 -0.268 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.782 1.729 0.021 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.672 1.448 -1.153 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -20.159 1.425 -2.439 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -22.020 1.201 -0.967 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -20.977 1.160 -3.519 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -22.844 0.937 -2.042 1.00 0.00 C ATOM 1204 CZ PHE A 77 -22.322 0.917 -3.321 1.00 0.00 C ATOM 0 H PHE A 77 -18.229 1.792 1.937 1.00 0.00 H new ATOM 0 HA PHE A 77 -20.400 0.082 1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -20.258 2.475 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.849 2.164 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -19.108 1.616 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -22.433 1.215 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -20.566 1.143 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -23.895 0.746 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.965 0.712 -4.164 1.00 0.00 H new ATOM 1214 N ASN A 78 -17.579 -0.271 -0.434 1.00 0.00 N ATOM 1215 CA ASN A 78 -16.821 -1.193 -1.253 1.00 0.00 C ATOM 1216 C ASN A 78 -16.157 -2.253 -0.390 1.00 0.00 C ATOM 1217 O ASN A 78 -15.612 -3.226 -0.894 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.792 -0.450 -2.092 1.00 0.00 C ATOM 1219 CG ASN A 78 -16.433 0.483 -3.094 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.797 0.070 -4.196 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -16.578 1.745 -2.725 1.00 0.00 N ATOM 0 H ASN A 78 -17.101 0.606 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.510 -1.693 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.136 0.121 -1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.167 -1.171 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.005 2.417 -3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.263 2.046 -1.803 1.00 0.00 H new ATOM 1228 N ASN A 79 -16.211 -2.067 0.921 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.810 -3.112 1.848 1.00 0.00 C ATOM 1230 C ASN A 79 -16.703 -4.328 1.624 1.00 0.00 C ATOM 1231 O ASN A 79 -16.273 -5.474 1.751 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.926 -2.599 3.287 1.00 0.00 C ATOM 1233 CG ASN A 79 -15.276 -3.500 4.320 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -15.275 -4.722 4.208 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.706 -2.886 5.344 1.00 0.00 N ATOM 0 H ASN A 79 -16.528 -1.205 1.364 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.772 -3.396 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.472 -1.610 3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.981 -2.481 3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.246 -3.431 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.726 -1.868 5.404 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.947 -4.062 1.243 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.884 -5.119 0.895 1.00 0.00 C ATOM 1244 C ASP A 80 -18.465 -5.814 -0.392 1.00 0.00 C ATOM 1245 O ASP A 80 -18.523 -7.040 -0.483 1.00 0.00 O ATOM 1246 CB ASP A 80 -20.306 -4.576 0.747 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.914 -4.164 2.069 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -21.374 -3.011 2.183 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.937 -4.995 3.002 1.00 0.00 O ATOM 0 H ASP A 80 -18.329 -3.119 1.168 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.872 -5.843 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.295 -3.719 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.935 -5.337 0.284 1.00 0.00 H new ATOM 1254 N VAL A 81 -18.030 -5.038 -1.389 1.00 0.00 N ATOM 1255 CA VAL A 81 -17.620 -5.620 -2.668 1.00 0.00 C ATOM 1256 C VAL A 81 -16.291 -6.370 -2.536 1.00 0.00 C ATOM 1257 O VAL A 81 -15.982 -7.253 -3.336 1.00 0.00 O ATOM 1258 CB VAL A 81 -17.514 -4.568 -3.802 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -18.707 -3.629 -3.778 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -16.213 -3.783 -3.740 1.00 0.00 C ATOM 0 H VAL A 81 -17.954 -4.022 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 81 -18.406 -6.323 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.516 -5.114 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.612 -2.899 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.624 -4.202 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.743 -3.111 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.186 -3.059 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -16.149 -3.259 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.370 -4.468 -3.835 1.00 0.00 H new ATOM 1270 N CYS A 82 -15.508 -6.008 -1.529 1.00 0.00 N ATOM 1271 CA CYS A 82 -14.243 -6.680 -1.267 1.00 0.00 C ATOM 1272 C CYS A 82 -14.458 -7.925 -0.414 1.00 0.00 C ATOM 1273 O CYS A 82 -13.696 -8.887 -0.499 1.00 0.00 O ATOM 1274 CB CYS A 82 -13.266 -5.731 -0.574 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.835 -4.263 -1.561 1.00 0.00 S ATOM 0 H CYS A 82 -15.727 -5.252 -0.880 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.818 -6.985 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.700 -5.406 0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -12.353 -6.276 -0.335 1.00 0.00 H new ATOM 1280 N GLY A 83 -15.501 -7.898 0.403 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.826 -9.037 1.233 1.00 0.00 C ATOM 1282 C GLY A 83 -14.967 -9.105 2.476 1.00 0.00 C ATOM 1283 O GLY A 83 -15.331 -8.555 3.516 1.00 0.00 O ATOM 0 H GLY A 83 -16.131 -7.102 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.876 -8.986 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.699 -9.953 0.656 1.00 0.00 H new ATOM 1287 N SER A 84 -13.829 -9.773 2.368 1.00 0.00 N ATOM 1288 CA SER A 84 -12.913 -9.899 3.491 1.00 0.00 C ATOM 1289 C SER A 84 -12.131 -8.604 3.687 1.00 0.00 C ATOM 1290 O SER A 84 -12.013 -8.099 4.802 1.00 0.00 O ATOM 1291 CB SER A 84 -11.952 -11.063 3.256 1.00 0.00 C ATOM 1292 OG SER A 84 -12.657 -12.235 2.883 1.00 0.00 O ATOM 0 H SER A 84 -13.518 -10.236 1.514 1.00 0.00 H new ATOM 0 HA SER A 84 -13.492 -10.095 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.239 -10.799 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.377 -11.253 4.162 1.00 0.00 H new ATOM 0 HG SER A 84 -12.021 -12.966 2.736 1.00 0.00 H new ATOM 1298 N TYR A 85 -11.607 -8.064 2.596 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.818 -6.841 2.651 1.00 0.00 C ATOM 1300 C TYR A 85 -11.694 -5.612 2.775 1.00 0.00 C ATOM 1301 O TYR A 85 -12.908 -5.665 2.575 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.954 -6.702 1.403 1.00 0.00 C ATOM 1303 CG TYR A 85 -8.697 -7.530 1.430 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -8.455 -8.444 2.446 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.746 -7.392 0.434 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -7.306 -9.200 2.462 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.594 -8.139 0.443 1.00 0.00 C ATOM 1308 CZ TYR A 85 -6.377 -9.047 1.459 1.00 0.00 C ATOM 1309 OH TYR A 85 -5.239 -9.819 1.461 1.00 0.00 O ATOM 0 H TYR A 85 -11.714 -8.454 1.660 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.186 -6.913 3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.545 -6.986 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.683 -5.654 1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.181 -8.564 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.913 -6.684 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.134 -9.910 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.861 -8.016 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.464 -10.733 1.735 1.00 0.00 H new ATOM 1319 N ARG A 86 -11.057 -4.511 3.106 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.709 -3.224 3.140 1.00 0.00 C ATOM 1321 C ARG A 86 -11.208 -2.396 1.971 1.00 0.00 C ATOM 1322 O ARG A 86 -10.073 -2.574 1.522 1.00 0.00 O ATOM 1323 CB ARG A 86 -11.425 -2.518 4.464 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.949 -2.259 4.723 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.722 -1.670 6.105 1.00 0.00 C ATOM 1326 NE ARG A 86 -10.063 -2.616 7.166 1.00 0.00 N ATOM 1327 CZ ARG A 86 -10.304 -2.266 8.431 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.342 -0.985 8.779 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -10.531 -3.200 9.342 1.00 0.00 N ATOM 0 H ARG A 86 -10.069 -4.484 3.360 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.788 -3.353 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.958 -1.567 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.826 -3.121 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.393 -3.191 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.560 -1.577 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.678 -1.373 6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.322 -0.767 6.217 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.120 -3.605 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.186 -0.261 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.527 -0.725 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.521 -4.185 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.715 -2.935 10.309 1.00 0.00 H new ATOM 1343 N CYS A 87 -12.043 -1.508 1.464 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.669 -0.729 0.301 1.00 0.00 C ATOM 1345 C CYS A 87 -10.912 0.519 0.718 1.00 0.00 C ATOM 1346 O CYS A 87 -11.444 1.368 1.436 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.903 -0.354 -0.507 1.00 0.00 C ATOM 1348 SG CYS A 87 -12.527 0.492 -2.080 1.00 0.00 S ATOM 0 H CYS A 87 -12.973 -1.310 1.834 1.00 0.00 H new ATOM 0 HA CYS A 87 -11.016 -1.337 -0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -13.475 -1.257 -0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -13.540 0.291 0.098 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.670 0.618 0.278 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.832 1.749 0.615 1.00 0.00 C ATOM 1355 C CYS A 88 -9.064 2.900 -0.359 1.00 0.00 C ATOM 1356 O CYS A 88 -8.464 2.961 -1.435 1.00 0.00 O ATOM 1357 CB CYS A 88 -7.362 1.332 0.612 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.960 0.058 1.856 1.00 0.00 S ATOM 0 H CYS A 88 -9.220 -0.077 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.097 2.092 1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -7.102 0.956 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.743 2.211 0.792 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.960 3.794 0.022 1.00 0.00 N ATOM 1364 CA ARG A 89 -10.263 4.976 -0.770 1.00 0.00 C ATOM 1365 C ARG A 89 -9.390 6.145 -0.314 1.00 0.00 C ATOM 1366 O ARG A 89 -9.249 6.378 0.882 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.744 5.334 -0.623 1.00 0.00 C ATOM 1368 CG ARG A 89 -12.671 4.610 -1.584 1.00 0.00 C ATOM 1369 CD ARG A 89 -12.710 5.293 -2.938 1.00 0.00 C ATOM 1370 NE ARG A 89 -13.108 6.699 -2.834 1.00 0.00 N ATOM 1371 CZ ARG A 89 -14.201 7.216 -3.393 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -15.065 6.440 -4.041 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -14.441 8.517 -3.284 1.00 0.00 N ATOM 0 H ARG A 89 -10.497 3.723 0.886 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.053 4.768 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.057 5.114 0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.860 6.408 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.339 3.579 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.676 4.574 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.727 5.228 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.407 4.766 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.507 7.325 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.894 5.437 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.898 6.848 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.790 9.115 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.276 8.919 -3.710 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.795 6.880 -1.267 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.887 8.002 -0.977 1.00 0.00 C ATOM 1389 C PRO A 90 -8.492 9.024 -0.022 1.00 0.00 C ATOM 1390 O PRO A 90 -9.560 9.581 -0.291 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.667 8.645 -2.348 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.906 7.546 -3.322 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.971 6.681 -2.713 1.00 0.00 C ATOM 0 HA PRO A 90 -6.976 7.658 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.354 9.475 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.657 9.044 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.227 7.941 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.994 6.976 -3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.966 6.981 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.845 5.635 -2.992 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.803 9.274 1.084 1.00 0.00 N ATOM 1402 CA GLY A 91 -8.288 10.217 2.062 1.00 0.00 C ATOM 1403 C GLY A 91 -8.069 9.745 3.485 1.00 0.00 C ATOM 1404 O GLY A 91 -7.101 9.031 3.781 1.00 0.00 O ATOM 0 H GLY A 91 -6.912 8.836 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.786 11.174 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.352 10.388 1.900 1.00 0.00 H new ATOM 1408 N ARG A 92 -8.975 10.139 4.365 1.00 0.00 N ATOM 1409 CA ARG A 92 -8.882 9.791 5.773 1.00 0.00 C ATOM 1410 C ARG A 92 -10.133 10.271 6.503 1.00 0.00 C ATOM 1411 O ARG A 92 -10.068 10.809 7.607 1.00 0.00 O ATOM 1412 CB ARG A 92 -7.625 10.421 6.369 1.00 0.00 C ATOM 1413 CG ARG A 92 -7.244 9.889 7.739 1.00 0.00 C ATOM 1414 CD ARG A 92 -5.864 10.380 8.149 1.00 0.00 C ATOM 1415 NE ARG A 92 -5.722 11.826 7.968 1.00 0.00 N ATOM 1416 CZ ARG A 92 -4.589 12.427 7.601 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -3.474 11.724 7.441 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -4.568 13.737 7.404 1.00 0.00 N ATOM 0 H ARG A 92 -9.789 10.705 4.126 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.814 8.709 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.792 10.257 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.772 11.499 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.981 10.209 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.258 8.799 7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.684 10.126 9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.106 9.864 7.560 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.541 12.411 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.479 10.716 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.612 12.192 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.418 14.286 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.702 14.197 7.123 1.00 0.00 H new