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 52 HIS : no HE2:sc= 0.123 K(o=0.19,f=-3.6!) USER MOD Set 1.2: A 85 TYR OH : rot -10:sc= 0.0631 USER MOD Single : A 10 SER OG : rot -62:sc= 0.305 USER MOD Single : A 11 TYR OH : rot 160:sc= -0.661 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.82 USER MOD Single : A 17 SER OG : rot 140:sc= -1.36! USER MOD Single : A 26 THR OG1 : rot 67:sc= 1.3 USER MOD Single : A 28 TYR OH : rot 45:sc= 0.0535 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= -0.0606 X(o=-0.061,f=-0.0087) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.698! C(o=-5!,f=-0.7!) USER MOD Single : A 50 SER OG : rot -64:sc= 1 USER MOD Single : A 54 SER OG : rot -79:sc= -0.493 USER MOD Single : A 55 HIS :FLIP no HE2:sc= -0.368 F(o=-1.7,f=-0.37) USER MOD Single : A 56 SER OG : rot 180:sc= 0.03 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.192 F(o=-1.5!,f=-0.19) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-3.9!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 120:sc= -1.2! USER MOD Single : A 78 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.8!) USER MOD Single : A 79 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 71 N LEU A 6 5.504 -5.735 2.560 1.00 0.00 N ATOM 72 CA LEU A 6 5.922 -6.738 1.599 1.00 0.00 C ATOM 73 C LEU A 6 7.457 -6.782 1.525 1.00 0.00 C ATOM 74 O LEU A 6 8.133 -5.889 2.043 1.00 0.00 O ATOM 75 CB LEU A 6 5.317 -6.402 0.223 1.00 0.00 C ATOM 76 CG LEU A 6 3.869 -6.859 -0.020 1.00 0.00 C ATOM 77 CD1 LEU A 6 3.743 -8.367 0.132 1.00 0.00 C ATOM 78 CD2 LEU A 6 2.901 -6.143 0.911 1.00 0.00 C ATOM 0 HA LEU A 6 5.568 -7.721 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.361 -5.322 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.949 -6.847 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 6 3.607 -6.595 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.710 -8.665 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.392 -8.861 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.037 -8.657 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.886 -6.487 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.164 -6.360 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.959 -5.068 0.739 1.00 0.00 H new ATOM 90 N PRO A 7 8.032 -7.821 0.897 1.00 0.00 N ATOM 91 CA PRO A 7 9.485 -7.952 0.762 1.00 0.00 C ATOM 92 C PRO A 7 10.053 -6.911 -0.185 1.00 0.00 C ATOM 93 O PRO A 7 9.349 -6.408 -1.048 1.00 0.00 O ATOM 94 CB PRO A 7 9.681 -9.348 0.156 1.00 0.00 C ATOM 95 CG PRO A 7 8.357 -10.027 0.261 1.00 0.00 C ATOM 96 CD PRO A 7 7.325 -8.943 0.274 1.00 0.00 C ATOM 0 HA PRO A 7 9.990 -7.813 1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.005 -9.281 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.449 -9.904 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.200 -10.703 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.300 -10.628 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.985 -8.697 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.443 -9.232 0.846 1.00 0.00 H new ATOM 104 N ILE A 8 11.336 -6.613 -0.046 1.00 0.00 N ATOM 105 CA ILE A 8 12.003 -5.660 -0.934 1.00 0.00 C ATOM 106 C ILE A 8 11.929 -6.090 -2.401 1.00 0.00 C ATOM 107 O ILE A 8 12.154 -5.286 -3.301 1.00 0.00 O ATOM 108 CB ILE A 8 13.483 -5.421 -0.546 1.00 0.00 C ATOM 109 CG1 ILE A 8 14.082 -6.626 0.191 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.605 -4.163 0.297 1.00 0.00 C ATOM 111 CD1 ILE A 8 14.078 -7.913 -0.609 1.00 0.00 C ATOM 0 H ILE A 8 11.940 -7.015 0.671 1.00 0.00 H new ATOM 0 HA ILE A 8 11.459 -4.723 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 8 14.052 -5.290 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.108 -6.391 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.526 -6.785 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.650 -4.004 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.242 -3.307 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.011 -4.274 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.519 -8.713 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.053 -8.177 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.660 -7.777 -1.521 1.00 0.00 H new ATOM 123 N ALA A 9 11.609 -7.359 -2.637 1.00 0.00 N ATOM 124 CA ALA A 9 11.455 -7.865 -3.990 1.00 0.00 C ATOM 125 C ALA A 9 10.131 -7.416 -4.592 1.00 0.00 C ATOM 126 O ALA A 9 10.017 -7.264 -5.810 1.00 0.00 O ATOM 127 CB ALA A 9 11.552 -9.377 -4.014 1.00 0.00 C ATOM 0 H ALA A 9 11.452 -8.053 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 9 12.265 -7.454 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.434 -9.733 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.526 -9.685 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.767 -9.802 -3.389 1.00 0.00 H new ATOM 133 N SER A 10 9.127 -7.202 -3.742 1.00 0.00 N ATOM 134 CA SER A 10 7.832 -6.726 -4.220 1.00 0.00 C ATOM 135 C SER A 10 7.972 -5.351 -4.857 1.00 0.00 C ATOM 136 O SER A 10 7.245 -5.014 -5.785 1.00 0.00 O ATOM 137 CB SER A 10 6.799 -6.658 -3.089 1.00 0.00 C ATOM 138 OG SER A 10 7.180 -5.727 -2.103 1.00 0.00 O ATOM 0 H SER A 10 9.184 -7.348 -2.734 1.00 0.00 H new ATOM 0 HA SER A 10 7.481 -7.441 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.827 -6.381 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.686 -7.644 -2.637 1.00 0.00 H new ATOM 0 HG SER A 10 8.028 -6.007 -1.699 1.00 0.00 H new ATOM 144 N TYR A 11 8.921 -4.566 -4.362 1.00 0.00 N ATOM 145 CA TYR A 11 9.097 -3.203 -4.839 1.00 0.00 C ATOM 146 C TYR A 11 10.344 -3.092 -5.703 1.00 0.00 C ATOM 147 O TYR A 11 10.804 -1.988 -5.991 1.00 0.00 O ATOM 148 CB TYR A 11 9.227 -2.226 -3.676 1.00 0.00 C ATOM 149 CG TYR A 11 8.521 -2.648 -2.412 1.00 0.00 C ATOM 150 CD1 TYR A 11 7.144 -2.531 -2.278 1.00 0.00 C ATOM 151 CD2 TYR A 11 9.244 -3.159 -1.345 1.00 0.00 C ATOM 152 CE1 TYR A 11 6.513 -2.905 -1.115 1.00 0.00 C ATOM 153 CE2 TYR A 11 8.613 -3.540 -0.179 1.00 0.00 C ATOM 154 CZ TYR A 11 7.250 -3.403 -0.074 1.00 0.00 C ATOM 155 OH TYR A 11 6.619 -3.757 1.079 1.00 0.00 O ATOM 0 H TYR A 11 9.577 -4.849 -3.634 1.00 0.00 H new ATOM 0 HA TYR A 11 8.214 -2.952 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.285 -2.086 -3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.835 -1.258 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.560 -2.141 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.316 -3.260 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.441 -2.806 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.185 -3.942 0.644 1.00 0.00 H new ATOM 0 HH TYR A 11 7.191 -4.366 1.591 1.00 0.00 H new ATOM 165 N ALA A 12 10.902 -4.233 -6.091 1.00 0.00 N ATOM 166 CA ALA A 12 12.120 -4.251 -6.888 1.00 0.00 C ATOM 167 C ALA A 12 11.942 -3.480 -8.196 1.00 0.00 C ATOM 168 O ALA A 12 11.244 -3.930 -9.109 1.00 0.00 O ATOM 169 CB ALA A 12 12.548 -5.683 -7.161 1.00 0.00 C ATOM 0 H ALA A 12 10.530 -5.156 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 12 12.905 -3.753 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.460 -5.683 -7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.733 -6.194 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.758 -6.201 -7.705 1.00 0.00 H new ATOM 175 N GLY A 13 12.579 -2.321 -8.273 1.00 0.00 N ATOM 176 CA GLY A 13 12.473 -1.475 -9.447 1.00 0.00 C ATOM 177 C GLY A 13 11.174 -0.698 -9.476 1.00 0.00 C ATOM 178 O GLY A 13 10.600 -0.473 -10.544 1.00 0.00 O ATOM 0 H GLY A 13 13.175 -1.947 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.311 -0.779 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.547 -2.090 -10.344 1.00 0.00 H new ATOM 182 N LEU A 14 10.704 -0.295 -8.303 1.00 0.00 N ATOM 183 CA LEU A 14 9.425 0.390 -8.186 1.00 0.00 C ATOM 184 C LEU A 14 9.513 1.579 -7.244 1.00 0.00 C ATOM 185 O LEU A 14 10.487 1.734 -6.510 1.00 0.00 O ATOM 186 CB LEU A 14 8.366 -0.588 -7.681 1.00 0.00 C ATOM 187 CG LEU A 14 8.126 -1.782 -8.594 1.00 0.00 C ATOM 188 CD1 LEU A 14 7.206 -2.786 -7.934 1.00 0.00 C ATOM 189 CD2 LEU A 14 7.552 -1.326 -9.921 1.00 0.00 C ATOM 0 H LEU A 14 11.191 -0.431 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 14 9.149 0.762 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.665 -0.952 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.426 -0.051 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 14 9.083 -2.269 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.048 -3.631 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.657 -3.138 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.249 -2.313 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.386 -2.192 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.605 -0.814 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.252 -0.644 -10.405 1.00 0.00 H new ATOM 201 N THR A 15 8.487 2.414 -7.278 1.00 0.00 N ATOM 202 CA THR A 15 8.418 3.586 -6.428 1.00 0.00 C ATOM 203 C THR A 15 7.347 3.383 -5.357 1.00 0.00 C ATOM 204 O THR A 15 6.162 3.239 -5.667 1.00 0.00 O ATOM 205 CB THR A 15 8.090 4.838 -7.263 1.00 0.00 C ATOM 206 OG1 THR A 15 8.710 4.735 -8.552 1.00 0.00 O ATOM 207 CG2 THR A 15 8.588 6.099 -6.580 1.00 0.00 C ATOM 0 H THR A 15 7.683 2.297 -7.894 1.00 0.00 H new ATOM 0 HA THR A 15 9.387 3.730 -5.950 1.00 0.00 H new ATOM 0 HB THR A 15 7.007 4.898 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.498 5.532 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.342 6.966 -7.193 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.111 6.197 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.669 6.040 -6.451 1.00 0.00 H new ATOM 215 N VAL A 16 7.760 3.355 -4.104 1.00 0.00 N ATOM 216 CA VAL A 16 6.848 3.067 -3.010 1.00 0.00 C ATOM 217 C VAL A 16 6.502 4.324 -2.236 1.00 0.00 C ATOM 218 O VAL A 16 7.251 5.300 -2.231 1.00 0.00 O ATOM 219 CB VAL A 16 7.427 2.012 -2.054 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.735 0.737 -2.811 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.661 2.535 -1.350 1.00 0.00 C ATOM 0 H VAL A 16 8.723 3.528 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 16 5.937 2.667 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 16 6.681 1.791 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.145 -0.004 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.820 0.350 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.462 0.946 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.050 1.768 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.421 2.791 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.402 3.423 -0.774 1.00 0.00 H new ATOM 231 N SER A 17 5.348 4.286 -1.600 1.00 0.00 N ATOM 232 CA SER A 17 4.839 5.410 -0.847 1.00 0.00 C ATOM 233 C SER A 17 5.712 5.681 0.377 1.00 0.00 C ATOM 234 O SER A 17 6.281 4.746 0.932 1.00 0.00 O ATOM 235 CB SER A 17 3.393 5.107 -0.451 1.00 0.00 C ATOM 236 OG SER A 17 2.996 3.845 -0.980 1.00 0.00 O ATOM 0 H SER A 17 4.736 3.470 -1.592 1.00 0.00 H new ATOM 0 HA SER A 17 4.864 6.313 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.298 5.101 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.733 5.891 -0.824 1.00 0.00 H new ATOM 0 HG SER A 17 2.457 3.367 -0.316 1.00 0.00 H new ATOM 242 N ALA A 18 5.839 6.941 0.779 1.00 0.00 N ATOM 243 CA ALA A 18 6.715 7.311 1.895 1.00 0.00 C ATOM 244 C ALA A 18 6.533 6.396 3.121 1.00 0.00 C ATOM 245 O ALA A 18 7.524 5.929 3.679 1.00 0.00 O ATOM 246 CB ALA A 18 6.511 8.770 2.278 1.00 0.00 C ATOM 0 H ALA A 18 5.348 7.726 0.351 1.00 0.00 H new ATOM 0 HA ALA A 18 7.740 7.176 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.170 9.024 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.742 9.406 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.475 8.926 2.577 1.00 0.00 H new ATOM 252 N PRO A 19 5.278 6.112 3.559 1.00 0.00 N ATOM 253 CA PRO A 19 5.020 5.211 4.696 1.00 0.00 C ATOM 254 C PRO A 19 5.689 3.845 4.542 1.00 0.00 C ATOM 255 O PRO A 19 6.263 3.324 5.491 1.00 0.00 O ATOM 256 CB PRO A 19 3.500 5.055 4.691 1.00 0.00 C ATOM 257 CG PRO A 19 3.006 6.299 4.053 1.00 0.00 C ATOM 258 CD PRO A 19 4.021 6.659 3.017 1.00 0.00 C ATOM 0 HA PRO A 19 5.424 5.618 5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.193 4.172 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.108 4.944 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.026 6.144 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.897 7.098 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.778 6.222 2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.082 7.738 2.873 1.00 0.00 H new ATOM 266 N VAL A 20 5.630 3.281 3.340 1.00 0.00 N ATOM 267 CA VAL A 20 6.219 1.973 3.086 1.00 0.00 C ATOM 268 C VAL A 20 7.718 2.112 2.857 1.00 0.00 C ATOM 269 O VAL A 20 8.494 1.272 3.290 1.00 0.00 O ATOM 270 CB VAL A 20 5.520 1.233 1.897 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.771 2.203 1.009 1.00 0.00 C ATOM 272 CG2 VAL A 20 6.505 0.418 1.057 1.00 0.00 C ATOM 0 H VAL A 20 5.182 3.708 2.530 1.00 0.00 H new ATOM 0 HA VAL A 20 6.059 1.354 3.968 1.00 0.00 H new ATOM 0 HB VAL A 20 4.809 0.540 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.297 1.658 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.008 2.717 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.468 2.934 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.970 -0.075 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.264 1.081 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.984 -0.333 1.685 1.00 0.00 H new ATOM 282 N PHE A 21 8.111 3.207 2.217 1.00 0.00 N ATOM 283 CA PHE A 21 9.516 3.506 1.971 1.00 0.00 C ATOM 284 C PHE A 21 10.280 3.656 3.281 1.00 0.00 C ATOM 285 O PHE A 21 11.265 2.962 3.526 1.00 0.00 O ATOM 286 CB PHE A 21 9.638 4.802 1.173 1.00 0.00 C ATOM 287 CG PHE A 21 11.021 5.047 0.655 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.921 5.806 1.378 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.421 4.508 -0.551 1.00 0.00 C ATOM 290 CE1 PHE A 21 13.200 6.023 0.906 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.695 4.721 -1.032 1.00 0.00 C ATOM 292 CZ PHE A 21 13.588 5.478 -0.302 1.00 0.00 C ATOM 0 H PHE A 21 7.467 3.910 1.855 1.00 0.00 H new ATOM 0 HA PHE A 21 9.943 2.677 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.943 4.771 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.340 5.639 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.621 6.234 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.727 3.912 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.895 6.617 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.994 4.296 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.588 5.644 -0.674 1.00 0.00 H new ATOM 302 N ALA A 22 9.811 4.566 4.120 1.00 0.00 N ATOM 303 CA ALA A 22 10.472 4.868 5.378 1.00 0.00 C ATOM 304 C ALA A 22 10.445 3.666 6.309 1.00 0.00 C ATOM 305 O ALA A 22 11.392 3.425 7.061 1.00 0.00 O ATOM 306 CB ALA A 22 9.819 6.073 6.033 1.00 0.00 C ATOM 0 H ALA A 22 8.967 5.112 3.949 1.00 0.00 H new ATOM 0 HA ALA A 22 11.516 5.105 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.321 6.292 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.899 6.935 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.768 5.858 6.224 1.00 0.00 H new ATOM 312 N ALA A 23 9.366 2.899 6.239 1.00 0.00 N ATOM 313 CA ALA A 23 9.243 1.697 7.038 1.00 0.00 C ATOM 314 C ALA A 23 10.179 0.630 6.503 1.00 0.00 C ATOM 315 O ALA A 23 10.773 -0.123 7.263 1.00 0.00 O ATOM 316 CB ALA A 23 7.811 1.206 7.033 1.00 0.00 C ATOM 0 H ALA A 23 8.566 3.091 5.636 1.00 0.00 H new ATOM 0 HA ALA A 23 9.520 1.922 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.734 0.302 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.161 1.976 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.506 0.985 6.010 1.00 0.00 H new ATOM 322 N LEU A 24 10.306 0.590 5.186 1.00 0.00 N ATOM 323 CA LEU A 24 11.260 -0.278 4.517 1.00 0.00 C ATOM 324 C LEU A 24 12.674 0.048 4.957 1.00 0.00 C ATOM 325 O LEU A 24 13.419 -0.835 5.339 1.00 0.00 O ATOM 326 CB LEU A 24 11.145 -0.093 3.016 1.00 0.00 C ATOM 327 CG LEU A 24 10.507 -1.235 2.230 1.00 0.00 C ATOM 328 CD1 LEU A 24 9.364 -1.876 2.997 1.00 0.00 C ATOM 329 CD2 LEU A 24 10.013 -0.691 0.908 1.00 0.00 C ATOM 0 H LEU A 24 9.749 1.160 4.550 1.00 0.00 H new ATOM 0 HA LEU A 24 11.039 -1.312 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.568 0.813 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.145 0.077 2.617 1.00 0.00 H new ATOM 0 HG LEU A 24 11.255 -2.011 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.936 -2.684 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.737 -2.276 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.597 -1.129 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.554 -1.495 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.277 0.092 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.852 -0.278 0.348 1.00 0.00 H new ATOM 341 N VAL A 25 13.037 1.321 4.900 1.00 0.00 N ATOM 342 CA VAL A 25 14.347 1.766 5.373 1.00 0.00 C ATOM 343 C VAL A 25 14.529 1.407 6.848 1.00 0.00 C ATOM 344 O VAL A 25 15.642 1.179 7.322 1.00 0.00 O ATOM 345 CB VAL A 25 14.540 3.287 5.188 1.00 0.00 C ATOM 346 CG1 VAL A 25 15.889 3.728 5.730 1.00 0.00 C ATOM 347 CG2 VAL A 25 14.412 3.668 3.723 1.00 0.00 C ATOM 0 H VAL A 25 12.446 2.066 4.532 1.00 0.00 H new ATOM 0 HA VAL A 25 15.098 1.253 4.772 1.00 0.00 H new ATOM 0 HB VAL A 25 13.758 3.798 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.004 4.803 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.949 3.493 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.684 3.205 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.551 4.744 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.171 3.143 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.422 3.391 3.360 1.00 0.00 H new ATOM 357 N THR A 26 13.419 1.330 7.554 1.00 0.00 N ATOM 358 CA THR A 26 13.429 0.959 8.959 1.00 0.00 C ATOM 359 C THR A 26 13.854 -0.506 9.146 1.00 0.00 C ATOM 360 O THR A 26 14.572 -0.837 10.089 1.00 0.00 O ATOM 361 CB THR A 26 12.042 1.195 9.604 1.00 0.00 C ATOM 362 OG1 THR A 26 11.742 2.600 9.629 1.00 0.00 O ATOM 363 CG2 THR A 26 11.986 0.633 11.016 1.00 0.00 C ATOM 0 H THR A 26 12.491 1.521 7.176 1.00 0.00 H new ATOM 0 HA THR A 26 14.160 1.595 9.459 1.00 0.00 H new ATOM 0 HB THR A 26 11.299 0.674 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.628 2.927 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.999 0.815 11.441 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.177 -0.440 10.988 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.742 1.120 11.632 1.00 0.00 H new ATOM 371 N VAL A 27 13.429 -1.373 8.232 1.00 0.00 N ATOM 372 CA VAL A 27 13.729 -2.796 8.335 1.00 0.00 C ATOM 373 C VAL A 27 14.826 -3.208 7.347 1.00 0.00 C ATOM 374 O VAL A 27 15.868 -3.730 7.745 1.00 0.00 O ATOM 375 CB VAL A 27 12.446 -3.656 8.132 1.00 0.00 C ATOM 376 CG1 VAL A 27 11.443 -2.955 7.234 1.00 0.00 C ATOM 377 CG2 VAL A 27 12.773 -5.017 7.547 1.00 0.00 C ATOM 0 H VAL A 27 12.877 -1.115 7.414 1.00 0.00 H new ATOM 0 HA VAL A 27 14.103 -2.981 9.342 1.00 0.00 H new ATOM 0 HB VAL A 27 12.005 -3.792 9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.560 -3.583 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.154 -2.005 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.894 -2.772 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.854 -5.589 7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.258 -4.890 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.442 -5.552 8.221 1.00 0.00 H new ATOM 387 N TYR A 28 14.597 -2.941 6.072 1.00 0.00 N ATOM 388 CA TYR A 28 15.515 -3.323 5.011 1.00 0.00 C ATOM 389 C TYR A 28 16.659 -2.324 4.906 1.00 0.00 C ATOM 390 O TYR A 28 17.778 -2.666 4.512 1.00 0.00 O ATOM 391 CB TYR A 28 14.758 -3.402 3.687 1.00 0.00 C ATOM 392 CG TYR A 28 13.584 -4.344 3.744 1.00 0.00 C ATOM 393 CD1 TYR A 28 12.299 -3.860 3.932 1.00 0.00 C ATOM 394 CD2 TYR A 28 13.759 -5.715 3.624 1.00 0.00 C ATOM 395 CE1 TYR A 28 11.218 -4.713 3.998 1.00 0.00 C ATOM 396 CE2 TYR A 28 12.683 -6.577 3.687 1.00 0.00 C ATOM 397 CZ TYR A 28 11.415 -6.072 3.875 1.00 0.00 C ATOM 398 OH TYR A 28 10.343 -6.928 3.933 1.00 0.00 O ATOM 0 H TYR A 28 13.766 -2.451 5.742 1.00 0.00 H new ATOM 0 HA TYR A 28 15.938 -4.300 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.407 -2.407 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 28 15.441 -3.726 2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 28 12.142 -2.796 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.752 -6.114 3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.223 -4.319 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 28 12.834 -7.642 3.589 1.00 0.00 H new ATOM 0 HH TYR A 28 9.611 -6.573 3.387 1.00 0.00 H new ATOM 408 N GLY A 29 16.371 -1.086 5.268 1.00 0.00 N ATOM 409 CA GLY A 29 17.372 -0.052 5.215 1.00 0.00 C ATOM 410 C GLY A 29 17.425 0.608 3.860 1.00 0.00 C ATOM 411 O GLY A 29 16.916 0.062 2.878 1.00 0.00 O ATOM 0 H GLY A 29 15.456 -0.780 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.160 0.698 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.347 -0.478 5.450 1.00 0.00 H new ATOM 415 N ALA A 30 18.032 1.781 3.801 1.00 0.00 N ATOM 416 CA ALA A 30 18.185 2.491 2.543 1.00 0.00 C ATOM 417 C ALA A 30 19.091 1.705 1.606 1.00 0.00 C ATOM 418 O ALA A 30 18.976 1.805 0.389 1.00 0.00 O ATOM 419 CB ALA A 30 18.737 3.888 2.783 1.00 0.00 C ATOM 0 H ALA A 30 18.427 2.262 4.609 1.00 0.00 H new ATOM 0 HA ALA A 30 17.206 2.591 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.845 4.405 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 30 18.052 4.445 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.710 3.816 3.269 1.00 0.00 H new ATOM 425 N TYR A 31 19.981 0.915 2.194 1.00 0.00 N ATOM 426 CA TYR A 31 20.894 0.068 1.446 1.00 0.00 C ATOM 427 C TYR A 31 20.128 -0.979 0.640 1.00 0.00 C ATOM 428 O TYR A 31 20.328 -1.103 -0.566 1.00 0.00 O ATOM 429 CB TYR A 31 21.856 -0.613 2.415 1.00 0.00 C ATOM 430 CG TYR A 31 23.189 -0.968 1.808 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.480 -2.268 1.421 1.00 0.00 C ATOM 432 CD2 TYR A 31 24.163 0.004 1.637 1.00 0.00 C ATOM 433 CE1 TYR A 31 24.710 -2.589 0.881 1.00 0.00 C ATOM 434 CE2 TYR A 31 25.393 -0.307 1.094 1.00 0.00 C ATOM 435 CZ TYR A 31 25.663 -1.604 0.719 1.00 0.00 C ATOM 436 OH TYR A 31 26.894 -1.920 0.189 1.00 0.00 O ATOM 0 H TYR A 31 20.088 0.845 3.206 1.00 0.00 H new ATOM 0 HA TYR A 31 21.456 0.686 0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 31 22.021 0.044 3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 31 21.389 -1.521 2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.734 -3.040 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.956 1.022 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.925 -3.606 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 31 26.140 0.463 0.964 1.00 0.00 H new ATOM 0 HH TYR A 31 27.447 -1.112 0.142 1.00 0.00 H new ATOM 446 N ALA A 32 19.244 -1.725 1.302 1.00 0.00 N ATOM 447 CA ALA A 32 18.467 -2.750 0.624 1.00 0.00 C ATOM 448 C ALA A 32 17.499 -2.129 -0.373 1.00 0.00 C ATOM 449 O ALA A 32 17.334 -2.637 -1.478 1.00 0.00 O ATOM 450 CB ALA A 32 17.724 -3.612 1.626 1.00 0.00 C ATOM 0 H ALA A 32 19.052 -1.636 2.300 1.00 0.00 H new ATOM 0 HA ALA A 32 19.159 -3.387 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.149 -4.372 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.439 -4.096 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.048 -2.989 2.212 1.00 0.00 H new ATOM 456 N LEU A 33 16.871 -1.020 0.003 1.00 0.00 N ATOM 457 CA LEU A 33 15.965 -0.329 -0.901 1.00 0.00 C ATOM 458 C LEU A 33 16.706 0.184 -2.127 1.00 0.00 C ATOM 459 O LEU A 33 16.183 0.165 -3.236 1.00 0.00 O ATOM 460 CB LEU A 33 15.253 0.811 -0.176 1.00 0.00 C ATOM 461 CG LEU A 33 13.831 0.487 0.252 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.812 -0.762 1.112 1.00 0.00 C ATOM 463 CD2 LEU A 33 13.236 1.659 1.000 1.00 0.00 C ATOM 0 H LEU A 33 16.973 -0.585 0.920 1.00 0.00 H new ATOM 0 HA LEU A 33 15.212 -1.041 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.833 1.083 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.234 1.685 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 33 13.228 0.300 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.787 -0.982 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.212 -1.601 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.423 -0.601 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.217 1.418 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.837 1.869 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.224 2.536 0.353 1.00 0.00 H new ATOM 475 N TYR A 34 17.940 0.605 -1.923 1.00 0.00 N ATOM 476 CA TYR A 34 18.789 1.056 -3.010 1.00 0.00 C ATOM 477 C TYR A 34 19.199 -0.132 -3.865 1.00 0.00 C ATOM 478 O TYR A 34 19.370 -0.020 -5.078 1.00 0.00 O ATOM 479 CB TYR A 34 20.019 1.759 -2.430 1.00 0.00 C ATOM 480 CG TYR A 34 21.165 1.925 -3.394 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.237 3.023 -4.238 1.00 0.00 C ATOM 482 CD2 TYR A 34 22.184 0.984 -3.444 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.296 3.182 -5.108 1.00 0.00 C ATOM 484 CE2 TYR A 34 23.246 1.133 -4.314 1.00 0.00 C ATOM 485 CZ TYR A 34 23.297 2.236 -5.143 1.00 0.00 C ATOM 486 OH TYR A 34 24.360 2.397 -6.004 1.00 0.00 O ATOM 0 H TYR A 34 18.381 0.644 -1.004 1.00 0.00 H new ATOM 0 HA TYR A 34 18.246 1.761 -3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.721 2.743 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.369 1.195 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.452 3.765 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.146 0.123 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.340 4.043 -5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 34 24.031 0.392 -4.346 1.00 0.00 H new ATOM 0 HH TYR A 34 24.979 1.643 -5.905 1.00 0.00 H new ATOM 496 N ARG A 35 19.323 -1.277 -3.221 1.00 0.00 N ATOM 497 CA ARG A 35 19.746 -2.493 -3.887 1.00 0.00 C ATOM 498 C ARG A 35 18.686 -2.981 -4.856 1.00 0.00 C ATOM 499 O ARG A 35 18.993 -3.437 -5.957 1.00 0.00 O ATOM 500 CB ARG A 35 20.040 -3.571 -2.856 1.00 0.00 C ATOM 501 CG ARG A 35 21.464 -3.570 -2.354 1.00 0.00 C ATOM 502 CD ARG A 35 21.732 -4.806 -1.521 1.00 0.00 C ATOM 503 NE ARG A 35 23.136 -4.914 -1.131 1.00 0.00 N ATOM 504 CZ ARG A 35 23.740 -6.066 -0.842 1.00 0.00 C ATOM 505 NH1 ARG A 35 23.064 -7.208 -0.900 1.00 0.00 N ATOM 506 NH2 ARG A 35 25.023 -6.080 -0.511 1.00 0.00 N ATOM 0 H ARG A 35 19.134 -1.390 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 35 20.651 -2.275 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.367 -3.442 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.820 -4.546 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.153 -3.536 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.645 -2.676 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.109 -4.782 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.444 -5.693 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 35 23.686 -4.057 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.079 -7.205 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.530 -8.088 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.550 -5.208 -0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.483 -6.963 -0.290 1.00 0.00 H new ATOM 520 N TYR A 36 17.436 -2.875 -4.443 1.00 0.00 N ATOM 521 CA TYR A 36 16.327 -3.349 -5.253 1.00 0.00 C ATOM 522 C TYR A 36 15.722 -2.227 -6.074 1.00 0.00 C ATOM 523 O TYR A 36 14.644 -2.376 -6.638 1.00 0.00 O ATOM 524 CB TYR A 36 15.272 -3.993 -4.364 1.00 0.00 C ATOM 525 CG TYR A 36 15.761 -5.271 -3.741 1.00 0.00 C ATOM 526 CD1 TYR A 36 16.601 -5.241 -2.642 1.00 0.00 C ATOM 527 CD2 TYR A 36 15.409 -6.501 -4.268 1.00 0.00 C ATOM 528 CE1 TYR A 36 17.080 -6.398 -2.076 1.00 0.00 C ATOM 529 CE2 TYR A 36 15.878 -7.673 -3.707 1.00 0.00 C ATOM 530 CZ TYR A 36 16.717 -7.615 -2.609 1.00 0.00 C ATOM 531 OH TYR A 36 17.196 -8.774 -2.044 1.00 0.00 O ATOM 0 H TYR A 36 17.162 -2.464 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 36 16.708 -4.096 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 36 14.985 -3.294 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 36 14.377 -4.196 -4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 36 16.886 -4.289 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 36 14.759 -6.545 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 36 17.736 -6.353 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 36 15.592 -8.628 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 36 16.846 -9.546 -2.536 1.00 0.00 H new ATOM 541 N ASN A 37 16.442 -1.109 -6.134 1.00 0.00 N ATOM 542 CA ASN A 37 16.023 0.062 -6.900 1.00 0.00 C ATOM 543 C ASN A 37 14.622 0.500 -6.481 1.00 0.00 C ATOM 544 O ASN A 37 13.745 0.748 -7.315 1.00 0.00 O ATOM 545 CB ASN A 37 16.069 -0.229 -8.404 1.00 0.00 C ATOM 546 CG ASN A 37 16.263 1.025 -9.234 1.00 0.00 C ATOM 547 OD1 ASN A 37 17.390 1.390 -9.576 1.00 0.00 O ATOM 548 ND2 ASN A 37 15.175 1.699 -9.555 1.00 0.00 N ATOM 0 H ASN A 37 17.333 -0.990 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 37 16.717 0.876 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.881 -0.927 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.143 -0.719 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.249 2.555 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.260 1.364 -9.253 1.00 0.00 H new ATOM 555 N ILE A 38 14.409 0.552 -5.180 1.00 0.00 N ATOM 556 CA ILE A 38 13.146 0.984 -4.625 1.00 0.00 C ATOM 557 C ILE A 38 13.170 2.486 -4.373 1.00 0.00 C ATOM 558 O ILE A 38 13.994 2.989 -3.611 1.00 0.00 O ATOM 559 CB ILE A 38 12.839 0.237 -3.317 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.824 -1.272 -3.567 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.511 0.694 -2.742 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.643 -2.094 -2.314 1.00 0.00 C ATOM 0 H ILE A 38 15.107 0.296 -4.481 1.00 0.00 H new ATOM 0 HA ILE A 38 12.361 0.755 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 38 13.621 0.465 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.020 -1.508 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.758 -1.561 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.310 0.154 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.552 1.764 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.715 0.492 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.643 -3.153 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.460 -1.888 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.695 -1.835 -1.842 1.00 0.00 H new ATOM 574 N ARG A 39 12.265 3.189 -5.027 1.00 0.00 N ATOM 575 CA ARG A 39 12.207 4.643 -4.943 1.00 0.00 C ATOM 576 C ARG A 39 11.076 5.075 -4.020 1.00 0.00 C ATOM 577 O ARG A 39 10.258 4.255 -3.609 1.00 0.00 O ATOM 578 CB ARG A 39 11.982 5.270 -6.324 1.00 0.00 C ATOM 579 CG ARG A 39 13.075 5.003 -7.342 1.00 0.00 C ATOM 580 CD ARG A 39 12.810 3.734 -8.133 1.00 0.00 C ATOM 581 NE ARG A 39 11.532 3.790 -8.847 1.00 0.00 N ATOM 582 CZ ARG A 39 11.392 3.613 -10.161 1.00 0.00 C ATOM 583 NH1 ARG A 39 12.455 3.465 -10.942 1.00 0.00 N ATOM 584 NH2 ARG A 39 10.182 3.620 -10.701 1.00 0.00 N ATOM 0 H ARG A 39 11.552 2.776 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 39 13.163 4.986 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.038 4.900 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.876 6.348 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.150 5.849 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.035 4.920 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.618 3.577 -8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.811 2.879 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 39 10.691 3.977 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.391 3.486 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.335 3.330 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.361 3.761 -10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.071 3.485 -11.706 1.00 0.00 H new ATOM 598 N ARG A 40 11.026 6.363 -3.713 1.00 0.00 N ATOM 599 CA ARG A 40 9.992 6.902 -2.843 1.00 0.00 C ATOM 600 C ARG A 40 9.090 7.856 -3.608 1.00 0.00 C ATOM 601 O ARG A 40 9.562 8.672 -4.402 1.00 0.00 O ATOM 602 CB ARG A 40 10.615 7.635 -1.658 1.00 0.00 C ATOM 603 CG ARG A 40 9.613 8.023 -0.582 1.00 0.00 C ATOM 604 CD ARG A 40 10.290 8.750 0.566 1.00 0.00 C ATOM 605 NE ARG A 40 10.743 10.080 0.173 1.00 0.00 N ATOM 606 CZ ARG A 40 11.895 10.627 0.556 1.00 0.00 C ATOM 607 NH1 ARG A 40 12.707 9.971 1.378 1.00 0.00 N ATOM 608 NH2 ARG A 40 12.227 11.838 0.129 1.00 0.00 N ATOM 0 H ARG A 40 11.692 7.056 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 40 9.397 6.066 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.384 7.002 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.112 8.535 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.841 8.660 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.115 7.129 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.596 8.835 1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.141 8.165 0.916 1.00 0.00 H new ATOM 0 HE ARG A 40 10.136 10.628 -0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.449 9.045 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.589 10.394 1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.600 12.349 -0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.109 12.258 0.422 1.00 0.00 H new ATOM 686 N TYR A 45 -2.718 9.231 -2.168 1.00 0.00 N ATOM 687 CA TYR A 45 -3.719 8.264 -2.592 1.00 0.00 C ATOM 688 C TYR A 45 -3.341 6.870 -2.103 1.00 0.00 C ATOM 689 O TYR A 45 -2.414 6.713 -1.304 1.00 0.00 O ATOM 690 CB TYR A 45 -3.844 8.275 -4.120 1.00 0.00 C ATOM 691 CG TYR A 45 -2.592 7.815 -4.838 1.00 0.00 C ATOM 692 CD1 TYR A 45 -1.494 8.656 -4.979 1.00 0.00 C ATOM 693 CD2 TYR A 45 -2.508 6.535 -5.370 1.00 0.00 C ATOM 694 CE1 TYR A 45 -0.352 8.235 -5.628 1.00 0.00 C ATOM 695 CE2 TYR A 45 -1.368 6.108 -6.020 1.00 0.00 C ATOM 696 CZ TYR A 45 -0.293 6.960 -6.147 1.00 0.00 C ATOM 697 OH TYR A 45 0.843 6.535 -6.792 1.00 0.00 O ATOM 0 HA TYR A 45 -4.681 8.537 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.676 7.634 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.090 9.285 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.536 9.656 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.348 5.863 -5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.492 8.902 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.319 5.109 -6.428 1.00 0.00 H new ATOM 0 HH TYR A 45 0.720 5.612 -7.097 1.00 0.00 H new ATOM 707 N GLN A 46 -4.053 5.864 -2.593 1.00 0.00 N ATOM 708 CA GLN A 46 -3.771 4.482 -2.232 1.00 0.00 C ATOM 709 C GLN A 46 -2.603 3.946 -3.066 1.00 0.00 C ATOM 710 O GLN A 46 -2.698 3.788 -4.283 1.00 0.00 O ATOM 711 CB GLN A 46 -5.023 3.597 -2.409 1.00 0.00 C ATOM 712 CG GLN A 46 -5.412 3.308 -3.859 1.00 0.00 C ATOM 713 CD GLN A 46 -5.896 4.526 -4.627 1.00 0.00 C ATOM 714 OE1 GLN A 46 -6.565 5.433 -3.944 1.00 0.00 O flip ATOM 715 NE2 GLN A 46 -5.688 4.637 -5.833 1.00 0.00 N flip ATOM 0 H GLN A 46 -4.831 5.980 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.490 4.452 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.854 2.649 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.864 4.081 -1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.552 2.884 -4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.196 2.550 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.166 3.915 -6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.037 5.451 -6.338 1.00 0.00 H new ATOM 724 N ARG A 47 -1.487 3.692 -2.418 1.00 0.00 N ATOM 725 CA ARG A 47 -0.318 3.185 -3.113 1.00 0.00 C ATOM 726 C ARG A 47 0.162 1.921 -2.431 1.00 0.00 C ATOM 727 O ARG A 47 0.945 1.975 -1.477 1.00 0.00 O ATOM 728 CB ARG A 47 0.798 4.231 -3.128 1.00 0.00 C ATOM 729 CG ARG A 47 1.703 4.174 -4.356 1.00 0.00 C ATOM 730 CD ARG A 47 2.338 2.804 -4.582 1.00 0.00 C ATOM 731 NE ARG A 47 3.038 2.296 -3.400 1.00 0.00 N ATOM 732 CZ ARG A 47 3.849 1.240 -3.418 1.00 0.00 C ATOM 733 NH1 ARG A 47 4.161 0.658 -4.571 1.00 0.00 N ATOM 734 NH2 ARG A 47 4.357 0.772 -2.281 1.00 0.00 N ATOM 0 H ARG A 47 -1.362 3.827 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.589 2.962 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.350 5.223 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.410 4.104 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.123 4.447 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.492 4.918 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.563 2.094 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.040 2.868 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 47 2.896 2.779 -2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.779 1.020 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.782 -0.151 -4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.125 1.222 -1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.978 -0.037 -2.295 1.00 0.00 H new ATOM 748 N ILE A 48 -0.314 0.789 -2.911 1.00 0.00 N ATOM 749 CA ILE A 48 0.014 -0.485 -2.308 1.00 0.00 C ATOM 750 C ILE A 48 0.628 -1.411 -3.355 1.00 0.00 C ATOM 751 O ILE A 48 0.449 -1.202 -4.554 1.00 0.00 O ATOM 752 CB ILE A 48 -1.244 -1.154 -1.706 1.00 0.00 C ATOM 753 CG1 ILE A 48 -2.124 -0.119 -0.981 1.00 0.00 C ATOM 754 CG2 ILE A 48 -0.853 -2.279 -0.757 1.00 0.00 C ATOM 755 CD1 ILE A 48 -1.445 0.587 0.179 1.00 0.00 C ATOM 0 H ILE A 48 -0.932 0.727 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 48 0.731 -0.307 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.824 -1.579 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.451 0.629 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.019 -0.618 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.752 -2.736 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.280 -3.031 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.246 -1.876 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.139 1.297 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.142 -0.148 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.566 1.119 -0.184 1.00 0.00 H new ATOM 767 N ARG A 49 1.354 -2.429 -2.910 1.00 0.00 N ATOM 768 CA ARG A 49 1.986 -3.361 -3.832 1.00 0.00 C ATOM 769 C ARG A 49 1.297 -4.724 -3.772 1.00 0.00 C ATOM 770 O ARG A 49 1.939 -5.770 -3.844 1.00 0.00 O ATOM 771 CB ARG A 49 3.492 -3.464 -3.534 1.00 0.00 C ATOM 772 CG ARG A 49 4.278 -4.342 -4.504 1.00 0.00 C ATOM 773 CD ARG A 49 4.000 -3.987 -5.957 1.00 0.00 C ATOM 774 NE ARG A 49 4.810 -4.788 -6.874 1.00 0.00 N ATOM 775 CZ ARG A 49 4.426 -5.154 -8.100 1.00 0.00 C ATOM 776 NH1 ARG A 49 3.227 -4.814 -8.558 1.00 0.00 N ATOM 777 NH2 ARG A 49 5.245 -5.868 -8.862 1.00 0.00 N ATOM 0 H ARG A 49 1.518 -2.629 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 49 1.876 -2.987 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.920 -2.461 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.622 -3.855 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.344 -4.237 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.023 -5.388 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.943 -4.143 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.206 -2.929 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 49 5.731 -5.088 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.593 -4.270 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.940 -5.097 -9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.165 -6.136 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.955 -6.149 -9.799 1.00 0.00 H new ATOM 791 N SER A 50 -0.028 -4.674 -3.665 1.00 0.00 N ATOM 792 CA SER A 50 -0.883 -5.853 -3.710 1.00 0.00 C ATOM 793 C SER A 50 -0.587 -6.880 -2.608 1.00 0.00 C ATOM 794 O SER A 50 0.508 -7.435 -2.511 1.00 0.00 O ATOM 795 CB SER A 50 -0.756 -6.509 -5.074 1.00 0.00 C ATOM 796 OG SER A 50 -0.772 -5.538 -6.112 1.00 0.00 O ATOM 0 H SER A 50 -0.543 -3.802 -3.543 1.00 0.00 H new ATOM 0 HA SER A 50 -1.902 -5.509 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.171 -7.081 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.574 -7.215 -5.219 1.00 0.00 H new ATOM 0 HG SER A 50 -1.641 -5.085 -6.123 1.00 0.00 H new ATOM 802 N ASP A 51 -1.589 -7.142 -1.793 1.00 0.00 N ATOM 803 CA ASP A 51 -1.519 -8.210 -0.809 1.00 0.00 C ATOM 804 C ASP A 51 -2.127 -9.477 -1.403 1.00 0.00 C ATOM 805 O ASP A 51 -2.547 -9.472 -2.564 1.00 0.00 O ATOM 806 CB ASP A 51 -2.245 -7.816 0.481 1.00 0.00 C ATOM 807 CG ASP A 51 -1.649 -6.583 1.136 1.00 0.00 C ATOM 808 OD1 ASP A 51 -0.782 -6.735 2.026 1.00 0.00 O ATOM 809 OD2 ASP A 51 -2.056 -5.455 0.781 1.00 0.00 O ATOM 0 H ASP A 51 -2.469 -6.627 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.475 -8.393 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.296 -7.632 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.208 -8.649 1.183 1.00 0.00 H new ATOM 814 N HIS A 52 -2.190 -10.549 -0.624 1.00 0.00 N ATOM 815 CA HIS A 52 -2.588 -11.855 -1.144 1.00 0.00 C ATOM 816 C HIS A 52 -3.971 -11.855 -1.817 1.00 0.00 C ATOM 817 O HIS A 52 -4.145 -12.496 -2.852 1.00 0.00 O ATOM 818 CB HIS A 52 -2.494 -12.943 -0.059 1.00 0.00 C ATOM 819 CG HIS A 52 -3.170 -12.636 1.248 1.00 0.00 C ATOM 820 ND1 HIS A 52 -4.407 -13.131 1.589 1.00 0.00 N ATOM 821 CD2 HIS A 52 -2.747 -11.928 2.322 1.00 0.00 C ATOM 822 CE1 HIS A 52 -4.715 -12.745 2.811 1.00 0.00 C ATOM 823 NE2 HIS A 52 -3.726 -12.012 3.280 1.00 0.00 N ATOM 0 H HIS A 52 -1.971 -10.542 0.372 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.873 -12.092 -1.932 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.921 -13.863 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.440 -13.140 0.138 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.996 -13.708 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.811 -11.395 2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.625 -12.989 3.339 1.00 0.00 H new ATOM 832 N ASP A 53 -4.945 -11.130 -1.273 1.00 0.00 N ATOM 833 CA ASP A 53 -6.278 -11.089 -1.893 1.00 0.00 C ATOM 834 C ASP A 53 -6.639 -9.679 -2.322 1.00 0.00 C ATOM 835 O ASP A 53 -7.814 -9.316 -2.376 1.00 0.00 O ATOM 836 CB ASP A 53 -7.365 -11.607 -0.946 1.00 0.00 C ATOM 837 CG ASP A 53 -7.184 -13.062 -0.574 1.00 0.00 C ATOM 838 OD1 ASP A 53 -7.374 -13.931 -1.445 1.00 0.00 O ATOM 839 OD2 ASP A 53 -6.862 -13.341 0.598 1.00 0.00 O ATOM 0 H ASP A 53 -4.847 -10.573 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.231 -11.739 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.365 -11.003 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.340 -11.477 -1.416 1.00 0.00 H new ATOM 844 N SER A 54 -5.631 -8.880 -2.615 1.00 0.00 N ATOM 845 CA SER A 54 -5.845 -7.485 -2.951 1.00 0.00 C ATOM 846 C SER A 54 -6.272 -7.306 -4.397 1.00 0.00 C ATOM 847 O SER A 54 -6.030 -8.165 -5.245 1.00 0.00 O ATOM 848 CB SER A 54 -4.580 -6.690 -2.701 1.00 0.00 C ATOM 849 OG SER A 54 -4.367 -6.459 -1.326 1.00 0.00 O ATOM 0 H SER A 54 -4.654 -9.173 -2.627 1.00 0.00 H new ATOM 0 HA SER A 54 -6.650 -7.119 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.726 -7.226 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.642 -5.736 -3.224 1.00 0.00 H new ATOM 0 HG SER A 54 -4.938 -5.721 -1.026 1.00 0.00 H new ATOM 855 N HIS A 55 -6.902 -6.170 -4.658 1.00 0.00 N ATOM 856 CA HIS A 55 -7.345 -5.808 -6.001 1.00 0.00 C ATOM 857 C HIS A 55 -7.858 -4.380 -6.010 1.00 0.00 C ATOM 858 O HIS A 55 -7.868 -3.718 -4.977 1.00 0.00 O ATOM 859 CB HIS A 55 -8.422 -6.761 -6.546 1.00 0.00 C ATOM 860 CG HIS A 55 -9.528 -7.078 -5.590 1.00 0.00 C ATOM 861 ND1 HIS A 55 -9.578 -7.968 -4.577 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 -10.772 -6.490 -5.642 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 -10.841 -7.911 -4.043 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 -11.540 -7.009 -4.708 1.00 0.00 N flip ATOM 0 H HIS A 55 -7.121 -5.472 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.481 -5.894 -6.659 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.854 -6.321 -7.445 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.943 -7.693 -6.846 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.817 -8.572 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.071 -5.722 -6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.203 -8.505 -3.217 1.00 0.00 H new ATOM 873 N SER A 56 -8.257 -3.908 -7.175 1.00 0.00 N ATOM 874 CA SER A 56 -8.791 -2.565 -7.315 1.00 0.00 C ATOM 875 C SER A 56 -10.272 -2.511 -6.937 1.00 0.00 C ATOM 876 O SER A 56 -11.004 -3.490 -7.110 1.00 0.00 O ATOM 877 CB SER A 56 -8.584 -2.083 -8.751 1.00 0.00 C ATOM 878 OG SER A 56 -8.929 -3.096 -9.684 1.00 0.00 O ATOM 0 H SER A 56 -8.221 -4.439 -8.045 1.00 0.00 H new ATOM 0 HA SER A 56 -8.257 -1.906 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.191 -1.196 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.543 -1.792 -8.894 1.00 0.00 H new ATOM 0 HG SER A 56 -8.790 -2.763 -10.595 1.00 0.00 H new ATOM 884 N CYS A 57 -10.694 -1.378 -6.390 1.00 0.00 N ATOM 885 CA CYS A 57 -12.093 -1.149 -6.056 1.00 0.00 C ATOM 886 C CYS A 57 -12.420 0.336 -6.176 1.00 0.00 C ATOM 887 O CYS A 57 -11.531 1.151 -6.449 1.00 0.00 O ATOM 888 CB CYS A 57 -12.386 -1.630 -4.639 1.00 0.00 C ATOM 889 SG CYS A 57 -11.285 -0.902 -3.384 1.00 0.00 S ATOM 0 H CYS A 57 -10.079 -0.596 -6.166 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.715 -1.711 -6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.419 -1.390 -4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.294 -2.716 -4.606 1.00 0.00 H new ATOM 894 N ALA A 58 -13.695 0.683 -5.984 1.00 0.00 N ATOM 895 CA ALA A 58 -14.156 2.072 -6.051 1.00 0.00 C ATOM 896 C ALA A 58 -13.902 2.660 -7.430 1.00 0.00 C ATOM 897 O ALA A 58 -13.556 3.832 -7.562 1.00 0.00 O ATOM 898 CB ALA A 58 -13.489 2.919 -4.969 1.00 0.00 C ATOM 0 H ALA A 58 -14.435 0.012 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.231 2.080 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.847 3.946 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.735 2.515 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.408 2.901 -5.108 1.00 0.00 H new ATOM 904 N ASN A 59 -14.094 1.831 -8.452 1.00 0.00 N ATOM 905 CA ASN A 59 -13.762 2.188 -9.835 1.00 0.00 C ATOM 906 C ASN A 59 -12.274 2.499 -9.950 1.00 0.00 C ATOM 907 O ASN A 59 -11.860 3.406 -10.675 1.00 0.00 O ATOM 908 CB ASN A 59 -14.601 3.376 -10.327 1.00 0.00 C ATOM 909 CG ASN A 59 -16.073 3.035 -10.455 1.00 0.00 C ATOM 910 OD1 ASN A 59 -16.519 2.543 -11.491 1.00 0.00 O ATOM 911 ND2 ASN A 59 -16.840 3.305 -9.412 1.00 0.00 N ATOM 0 H ASN A 59 -14.483 0.894 -8.349 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.998 1.335 -10.471 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.484 4.210 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.223 3.708 -11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.840 3.105 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.432 3.713 -8.571 1.00 0.00 H new ATOM 918 N ASN A 60 -11.486 1.712 -9.223 1.00 0.00 N ATOM 919 CA ASN A 60 -10.042 1.895 -9.103 1.00 0.00 C ATOM 920 C ASN A 60 -9.709 3.296 -8.597 1.00 0.00 C ATOM 921 O ASN A 60 -8.835 3.985 -9.122 1.00 0.00 O ATOM 922 CB ASN A 60 -9.323 1.596 -10.421 1.00 0.00 C ATOM 923 CG ASN A 60 -7.808 1.526 -10.263 1.00 0.00 C ATOM 924 OD1 ASN A 60 -7.328 1.169 -9.070 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -7.067 1.806 -11.204 1.00 0.00 N flip ATOM 0 H ASN A 60 -11.838 0.916 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.680 1.177 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.686 0.650 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.573 2.367 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.465 2.075 -12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.055 1.769 -11.085 1.00 0.00 H new ATOM 932 N ARG A 61 -10.441 3.716 -7.582 1.00 0.00 N ATOM 933 CA ARG A 61 -10.114 4.927 -6.848 1.00 0.00 C ATOM 934 C ARG A 61 -9.639 4.536 -5.463 1.00 0.00 C ATOM 935 O ARG A 61 -9.415 5.381 -4.594 1.00 0.00 O ATOM 936 CB ARG A 61 -11.324 5.853 -6.739 1.00 0.00 C ATOM 937 CG ARG A 61 -11.799 6.414 -8.067 1.00 0.00 C ATOM 938 CD ARG A 61 -13.014 7.302 -7.873 1.00 0.00 C ATOM 939 NE ARG A 61 -14.094 6.597 -7.185 1.00 0.00 N ATOM 940 CZ ARG A 61 -14.978 7.187 -6.379 1.00 0.00 C ATOM 941 NH1 ARG A 61 -14.947 8.503 -6.196 1.00 0.00 N ATOM 942 NH2 ARG A 61 -15.903 6.460 -5.767 1.00 0.00 N ATOM 0 H ARG A 61 -11.273 3.233 -7.244 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.332 5.466 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.145 5.307 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.075 6.681 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.996 6.985 -8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.045 5.597 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.732 8.185 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.368 7.652 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.177 5.591 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.244 9.068 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.626 8.948 -5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.938 5.451 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.580 6.910 -5.150 1.00 0.00 H new ATOM 956 N GLY A 62 -9.521 3.230 -5.269 1.00 0.00 N ATOM 957 CA GLY A 62 -9.051 2.685 -4.020 1.00 0.00 C ATOM 958 C GLY A 62 -8.520 1.280 -4.205 1.00 0.00 C ATOM 959 O GLY A 62 -8.969 0.553 -5.094 1.00 0.00 O ATOM 0 H GLY A 62 -9.749 2.529 -5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.266 3.323 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.864 2.677 -3.294 1.00 0.00 H new ATOM 963 N TRP A 63 -7.532 0.921 -3.410 1.00 0.00 N ATOM 964 CA TRP A 63 -6.986 -0.432 -3.432 1.00 0.00 C ATOM 965 C TRP A 63 -7.539 -1.267 -2.272 1.00 0.00 C ATOM 966 O TRP A 63 -7.653 -0.784 -1.148 1.00 0.00 O ATOM 967 CB TRP A 63 -5.454 -0.387 -3.374 1.00 0.00 C ATOM 968 CG TRP A 63 -4.824 -1.728 -3.537 1.00 0.00 C ATOM 969 CD1 TRP A 63 -4.312 -2.514 -2.551 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.650 -2.441 -4.759 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.826 -3.678 -3.084 1.00 0.00 N ATOM 972 CE2 TRP A 63 -4.023 -3.658 -4.444 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.967 -2.169 -6.091 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.707 -4.601 -5.418 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.653 -3.102 -7.054 1.00 0.00 C ATOM 976 CH2 TRP A 63 -4.028 -4.306 -6.714 1.00 0.00 C ATOM 0 H TRP A 63 -7.086 1.545 -2.737 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.290 -0.906 -4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.086 0.278 -4.155 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.145 0.040 -2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.292 -2.257 -1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.390 -4.435 -2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.451 -1.242 -6.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.225 -5.532 -5.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.893 -2.901 -8.088 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.794 -5.018 -7.492 1.00 0.00 H new ATOM 987 N CYS A 64 -7.892 -2.516 -2.562 1.00 0.00 N ATOM 988 CA CYS A 64 -8.383 -3.441 -1.543 1.00 0.00 C ATOM 989 C CYS A 64 -7.236 -3.990 -0.713 1.00 0.00 C ATOM 990 O CYS A 64 -6.375 -4.699 -1.240 1.00 0.00 O ATOM 991 CB CYS A 64 -9.136 -4.607 -2.187 1.00 0.00 C ATOM 992 SG CYS A 64 -10.501 -4.105 -3.285 1.00 0.00 S ATOM 0 H CYS A 64 -7.847 -2.914 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.062 -2.886 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.429 -5.209 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.535 -5.245 -1.399 1.00 0.00 H new ATOM 997 N ARG A 65 -7.241 -3.673 0.576 1.00 0.00 N ATOM 998 CA ARG A 65 -6.203 -4.126 1.497 1.00 0.00 C ATOM 999 C ARG A 65 -6.809 -4.860 2.688 1.00 0.00 C ATOM 1000 O ARG A 65 -8.019 -4.801 2.912 1.00 0.00 O ATOM 1001 CB ARG A 65 -5.398 -2.948 2.036 1.00 0.00 C ATOM 1002 CG ARG A 65 -4.401 -2.353 1.072 1.00 0.00 C ATOM 1003 CD ARG A 65 -3.127 -1.981 1.812 1.00 0.00 C ATOM 1004 NE ARG A 65 -2.349 -3.167 2.175 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.799 -3.378 3.366 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.983 -2.521 4.360 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -1.084 -4.472 3.570 1.00 0.00 N ATOM 0 H ARG A 65 -7.961 -3.097 1.012 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.554 -4.798 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.092 -2.166 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.865 -3.272 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.177 -3.067 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.826 -1.470 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.521 -1.325 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.379 -1.421 2.712 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.220 -3.884 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.553 -1.687 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.555 -2.695 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.958 -5.147 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.659 -4.641 4.482 1.00 0.00 H new ATOM 1021 N PRO A 66 -5.971 -5.563 3.473 1.00 0.00 N ATOM 1022 CA PRO A 66 -6.387 -6.139 4.745 1.00 0.00 C ATOM 1023 C PRO A 66 -6.418 -5.077 5.844 1.00 0.00 C ATOM 1024 O PRO A 66 -7.096 -5.228 6.858 1.00 0.00 O ATOM 1025 CB PRO A 66 -5.317 -7.196 5.056 1.00 0.00 C ATOM 1026 CG PRO A 66 -4.324 -7.149 3.934 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.566 -5.875 3.175 1.00 0.00 C ATOM 0 HA PRO A 66 -7.392 -6.559 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.833 -6.987 6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.764 -8.187 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.305 -7.178 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.441 -8.014 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.899 -5.078 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.402 -6.007 2.106 1.00 0.00 H new ATOM 1035 N THR A 67 -5.662 -4.005 5.634 1.00 0.00 N ATOM 1036 CA THR A 67 -5.607 -2.884 6.568 1.00 0.00 C ATOM 1037 C THR A 67 -5.245 -1.610 5.808 1.00 0.00 C ATOM 1038 O THR A 67 -4.537 -1.663 4.806 1.00 0.00 O ATOM 1039 CB THR A 67 -4.566 -3.129 7.682 1.00 0.00 C ATOM 1040 OG1 THR A 67 -4.751 -4.434 8.245 1.00 0.00 O ATOM 1041 CG2 THR A 67 -4.686 -2.088 8.786 1.00 0.00 C ATOM 0 H THR A 67 -5.070 -3.888 4.812 1.00 0.00 H new ATOM 0 HA THR A 67 -6.587 -2.781 7.035 1.00 0.00 H new ATOM 0 HB THR A 67 -3.574 -3.053 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.087 -4.583 8.950 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.940 -2.287 9.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.521 -1.095 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.683 -2.136 9.225 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.725 -0.477 6.286 1.00 0.00 N ATOM 1050 CA CYS A 68 -5.530 0.786 5.586 1.00 0.00 C ATOM 1051 C CYS A 68 -4.473 1.653 6.267 1.00 0.00 C ATOM 1052 O CYS A 68 -4.358 1.668 7.497 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.866 1.524 5.497 1.00 0.00 C ATOM 1054 SG CYS A 68 -8.097 0.664 4.460 1.00 0.00 S ATOM 0 H CYS A 68 -6.253 -0.402 7.155 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.165 0.574 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.271 1.650 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.696 2.522 5.094 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.694 2.358 5.448 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.646 3.254 5.933 1.00 0.00 C ATOM 1061 C PHE A 69 -3.230 4.627 6.253 1.00 0.00 C ATOM 1062 O PHE A 69 -4.428 4.856 6.095 1.00 0.00 O ATOM 1063 CB PHE A 69 -1.532 3.383 4.884 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.716 2.131 4.720 1.00 0.00 C ATOM 1065 CD1 PHE A 69 -1.007 1.209 3.724 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.351 1.880 5.566 1.00 0.00 C ATOM 1067 CE1 PHE A 69 -0.248 0.065 3.581 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.111 0.735 5.426 1.00 0.00 C ATOM 1069 CZ PHE A 69 0.812 -0.173 4.431 1.00 0.00 C ATOM 0 H PHE A 69 -3.771 2.324 4.432 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.222 2.834 6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.976 3.646 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.872 4.203 5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.835 1.388 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.592 2.588 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.484 -0.645 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.939 0.551 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.406 -1.068 4.318 1.00 0.00 H new ATOM 1079 N SER A 70 -2.380 5.542 6.681 1.00 0.00 N ATOM 1080 CA SER A 70 -2.840 6.851 7.124 1.00 0.00 C ATOM 1081 C SER A 70 -2.795 7.838 5.970 1.00 0.00 C ATOM 1082 O SER A 70 -1.799 8.538 5.783 1.00 0.00 O ATOM 1083 CB SER A 70 -1.988 7.353 8.293 1.00 0.00 C ATOM 1084 OG SER A 70 -2.545 8.520 8.872 1.00 0.00 O ATOM 0 H SER A 70 -1.370 5.407 6.732 1.00 0.00 H new ATOM 0 HA SER A 70 -3.871 6.761 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.908 6.572 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.977 7.564 7.945 1.00 0.00 H new ATOM 0 HG SER A 70 -1.981 8.817 9.616 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.901 7.894 5.229 1.00 0.00 N ATOM 1091 CA HIS A 71 -4.006 8.606 3.954 1.00 0.00 C ATOM 1092 C HIS A 71 -5.080 7.920 3.135 1.00 0.00 C ATOM 1093 O HIS A 71 -5.428 8.351 2.045 1.00 0.00 O ATOM 1094 CB HIS A 71 -2.683 8.639 3.153 1.00 0.00 C ATOM 1095 CG HIS A 71 -2.121 7.293 2.784 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.774 7.004 2.808 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.729 6.172 2.356 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.585 5.760 2.406 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.761 5.236 2.125 1.00 0.00 N ATOM 0 H HIS A 71 -4.770 7.435 5.504 1.00 0.00 H new ATOM 0 HA HIS A 71 -4.253 9.646 4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.845 9.210 2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.937 9.178 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.792 6.036 2.219 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.368 5.259 2.322 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.922 4.286 1.790 1.00 0.00 H new ATOM 1108 N GLU A 72 -5.553 6.804 3.674 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.651 6.053 3.103 1.00 0.00 C ATOM 1110 C GLU A 72 -7.535 5.546 4.235 1.00 0.00 C ATOM 1111 O GLU A 72 -7.151 5.622 5.402 1.00 0.00 O ATOM 1112 CB GLU A 72 -6.114 4.891 2.271 1.00 0.00 C ATOM 1113 CG GLU A 72 -5.216 3.967 3.073 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.300 3.105 2.224 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.810 3.591 1.182 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -4.027 1.963 2.636 1.00 0.00 O ATOM 0 H GLU A 72 -5.177 6.395 4.529 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.240 6.692 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.950 4.320 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.558 5.284 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.608 4.566 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.838 3.319 3.691 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.709 5.052 3.905 1.00 0.00 N ATOM 1124 CA TYR A 73 -9.634 4.573 4.914 1.00 0.00 C ATOM 1125 C TYR A 73 -10.446 3.409 4.393 1.00 0.00 C ATOM 1126 O TYR A 73 -10.412 3.096 3.205 1.00 0.00 O ATOM 1127 CB TYR A 73 -10.583 5.690 5.349 1.00 0.00 C ATOM 1128 CG TYR A 73 -11.364 6.312 4.215 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -11.027 7.566 3.731 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -12.432 5.646 3.627 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -11.735 8.143 2.697 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -13.142 6.212 2.590 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.791 7.460 2.130 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.506 8.029 1.103 1.00 0.00 O ATOM 0 H TYR A 73 -9.047 4.971 2.946 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.045 4.243 5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.284 5.292 6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.006 6.468 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.197 8.100 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.711 4.667 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.464 9.123 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.968 5.680 2.142 1.00 0.00 H new ATOM 0 HH TYR A 73 -14.215 7.415 0.818 1.00 0.00 H new ATOM 1144 N THR A 74 -11.196 2.804 5.292 1.00 0.00 N ATOM 1145 CA THR A 74 -12.067 1.705 4.956 1.00 0.00 C ATOM 1146 C THR A 74 -13.350 2.209 4.308 1.00 0.00 C ATOM 1147 O THR A 74 -14.275 2.644 4.994 1.00 0.00 O ATOM 1148 CB THR A 74 -12.424 0.890 6.212 1.00 0.00 C ATOM 1149 OG1 THR A 74 -11.229 0.394 6.830 1.00 0.00 O ATOM 1150 CG2 THR A 74 -13.347 -0.268 5.869 1.00 0.00 C ATOM 0 H THR A 74 -11.216 3.064 6.278 1.00 0.00 H new ATOM 0 HA THR A 74 -11.535 1.067 4.250 1.00 0.00 H new ATOM 0 HB THR A 74 -12.945 1.548 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.163 0.744 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.583 -0.826 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 74 -14.267 0.118 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.854 -0.927 5.155 1.00 0.00 H new ATOM 1158 N ASP A 75 -13.384 2.187 2.987 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.617 2.426 2.263 1.00 0.00 C ATOM 1160 C ASP A 75 -15.467 1.172 2.385 1.00 0.00 C ATOM 1161 O ASP A 75 -15.078 0.101 1.900 1.00 0.00 O ATOM 1162 CB ASP A 75 -14.343 2.760 0.791 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.591 3.166 0.034 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -16.342 2.275 -0.398 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.815 4.383 -0.147 1.00 0.00 O ATOM 0 H ASP A 75 -12.573 2.006 2.396 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.139 3.284 2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.613 3.568 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.896 1.893 0.305 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.586 1.298 3.088 1.00 0.00 N ATOM 1171 CA TRP A 76 -17.435 0.162 3.404 1.00 0.00 C ATOM 1172 C TRP A 76 -18.322 -0.225 2.228 1.00 0.00 C ATOM 1173 O TRP A 76 -18.759 -1.373 2.124 1.00 0.00 O ATOM 1174 CB TRP A 76 -18.269 0.464 4.647 1.00 0.00 C ATOM 1175 CG TRP A 76 -17.443 0.490 5.899 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.918 1.586 6.522 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -17.024 -0.643 6.662 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -16.210 1.202 7.636 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -16.257 -0.162 7.741 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -17.226 -2.019 6.540 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -15.690 -1.010 8.687 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -16.661 -2.859 7.478 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.902 -2.353 8.539 1.00 0.00 C ATOM 0 H TRP A 76 -16.927 2.187 3.453 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.793 -0.694 3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.765 1.426 4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -19.052 -0.288 4.747 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -17.041 2.606 6.188 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -15.728 1.831 8.279 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.814 -2.419 5.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.104 -0.622 9.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -16.807 -3.926 7.392 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -15.474 -3.038 9.256 1.00 0.00 H new ATOM 1194 N PHE A 77 -18.568 0.722 1.337 1.00 0.00 N ATOM 1195 CA PHE A 77 -19.321 0.448 0.121 1.00 0.00 C ATOM 1196 C PHE A 77 -18.525 -0.517 -0.754 1.00 0.00 C ATOM 1197 O PHE A 77 -18.972 -1.619 -1.094 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.593 1.758 -0.628 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.422 1.600 -1.872 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -21.774 1.321 -1.782 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -19.852 1.745 -3.127 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -22.546 1.187 -2.920 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -20.617 1.611 -4.269 1.00 0.00 C ATOM 1204 CZ PHE A 77 -21.965 1.333 -4.166 1.00 0.00 C ATOM 0 H PHE A 77 -18.257 1.689 1.432 1.00 0.00 H new ATOM 0 HA PHE A 77 -20.278 -0.008 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -20.099 2.450 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.640 2.214 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -22.232 1.207 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.798 1.965 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -23.600 0.969 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.161 1.724 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.565 1.230 -5.058 1.00 0.00 H new ATOM 1214 N ASN A 78 -17.312 -0.122 -1.073 1.00 0.00 N ATOM 1215 CA ASN A 78 -16.444 -0.951 -1.881 1.00 0.00 C ATOM 1216 C ASN A 78 -15.767 -2.012 -1.026 1.00 0.00 C ATOM 1217 O ASN A 78 -14.909 -2.754 -1.491 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.406 -0.101 -2.598 1.00 0.00 C ATOM 1219 CG ASN A 78 -16.028 0.879 -3.567 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.309 0.534 -4.714 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -16.245 2.106 -3.119 1.00 0.00 N ATOM 0 H ASN A 78 -16.904 0.768 -0.786 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.054 -1.453 -2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.817 0.446 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.717 -0.752 -3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.660 2.807 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.997 2.350 -2.160 1.00 0.00 H new ATOM 1228 N ASN A 79 -16.155 -2.079 0.234 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.680 -3.128 1.114 1.00 0.00 C ATOM 1230 C ASN A 79 -16.385 -4.428 0.762 1.00 0.00 C ATOM 1231 O ASN A 79 -15.771 -5.494 0.737 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.937 -2.743 2.571 1.00 0.00 C ATOM 1233 CG ASN A 79 -15.275 -3.656 3.584 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -15.129 -4.857 3.378 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.864 -3.074 4.698 1.00 0.00 N ATOM 0 H ASN A 79 -16.798 -1.419 0.670 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.606 -3.263 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.585 -1.724 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -17.012 -2.741 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.407 -3.627 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.004 -2.073 4.832 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.674 -4.338 0.450 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.428 -5.531 0.095 1.00 0.00 C ATOM 1244 C ASP A 80 -18.088 -5.992 -1.318 1.00 0.00 C ATOM 1245 O ASP A 80 -18.240 -7.173 -1.628 1.00 0.00 O ATOM 1246 CB ASP A 80 -19.950 -5.351 0.262 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.594 -4.381 -0.714 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -21.169 -3.373 -0.253 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.566 -4.636 -1.936 1.00 0.00 O ATOM 0 H ASP A 80 -18.208 -3.469 0.436 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.127 -6.307 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.430 -6.324 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.151 -5.008 1.277 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.616 -5.079 -2.175 1.00 0.00 N ATOM 1255 CA VAL A 81 -17.172 -5.486 -3.510 1.00 0.00 C ATOM 1256 C VAL A 81 -15.879 -6.296 -3.414 1.00 0.00 C ATOM 1257 O VAL A 81 -15.554 -7.084 -4.304 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.968 -4.291 -4.475 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -18.129 -3.315 -4.382 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.643 -3.583 -4.243 1.00 0.00 C ATOM 0 H VAL A 81 -17.533 -4.082 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.970 -6.101 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.939 -4.698 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.962 -2.485 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.055 -3.825 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.203 -2.934 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.546 -2.753 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.608 -3.202 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.824 -4.285 -4.397 1.00 0.00 H new ATOM 1270 N CYS A 82 -15.146 -6.095 -2.324 1.00 0.00 N ATOM 1271 CA CYS A 82 -13.928 -6.848 -2.071 1.00 0.00 C ATOM 1272 C CYS A 82 -14.234 -8.112 -1.277 1.00 0.00 C ATOM 1273 O CYS A 82 -13.621 -9.156 -1.490 1.00 0.00 O ATOM 1274 CB CYS A 82 -12.909 -5.982 -1.329 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.373 -4.512 -2.262 1.00 0.00 S ATOM 0 H CYS A 82 -15.377 -5.414 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.499 -7.141 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.341 -5.661 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -12.035 -6.589 -1.092 1.00 0.00 H new ATOM 1280 N GLY A 83 -15.199 -8.014 -0.374 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.603 -9.162 0.407 1.00 0.00 C ATOM 1282 C GLY A 83 -14.818 -9.284 1.694 1.00 0.00 C ATOM 1283 O GLY A 83 -15.253 -8.799 2.739 1.00 0.00 O ATOM 0 H GLY A 83 -15.710 -7.156 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.666 -9.086 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.469 -10.067 -0.185 1.00 0.00 H new ATOM 1287 N SER A 84 -13.661 -9.919 1.621 1.00 0.00 N ATOM 1288 CA SER A 84 -12.830 -10.114 2.795 1.00 0.00 C ATOM 1289 C SER A 84 -11.968 -8.883 3.059 1.00 0.00 C ATOM 1290 O SER A 84 -11.823 -8.449 4.203 1.00 0.00 O ATOM 1291 CB SER A 84 -11.964 -11.361 2.620 1.00 0.00 C ATOM 1292 OG SER A 84 -11.345 -11.380 1.344 1.00 0.00 O ATOM 0 H SER A 84 -13.276 -10.308 0.760 1.00 0.00 H new ATOM 0 HA SER A 84 -13.476 -10.259 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.201 -11.389 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.578 -12.253 2.743 1.00 0.00 H new ATOM 0 HG SER A 84 -10.796 -12.187 1.259 1.00 0.00 H new ATOM 1298 N TYR A 85 -11.400 -8.320 1.999 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.599 -7.107 2.121 1.00 0.00 C ATOM 1300 C TYR A 85 -11.472 -5.872 2.235 1.00 0.00 C ATOM 1301 O TYR A 85 -12.649 -5.885 1.876 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.649 -6.953 0.932 1.00 0.00 C ATOM 1303 CG TYR A 85 -8.339 -7.679 1.109 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -8.161 -8.592 2.143 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.269 -7.443 0.255 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -6.963 -9.246 2.316 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.076 -8.093 0.424 1.00 0.00 C ATOM 1308 CZ TYR A 85 -5.923 -8.994 1.452 1.00 0.00 C ATOM 1309 OH TYR A 85 -4.729 -9.653 1.613 1.00 0.00 O ATOM 0 H TYR A 85 -11.478 -8.682 1.049 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.013 -7.204 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.142 -7.324 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.449 -5.894 0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.977 -8.791 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.380 -6.736 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.840 -9.952 3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.255 -7.898 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.733 -10.133 2.467 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.873 -4.810 2.742 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.542 -3.532 2.870 1.00 0.00 C ATOM 1321 C ARG A 86 -11.017 -2.593 1.795 1.00 0.00 C ATOM 1322 O ARG A 86 -9.856 -2.702 1.391 1.00 0.00 O ATOM 1323 CB ARG A 86 -11.298 -2.947 4.267 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.834 -2.653 4.567 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.640 -2.181 5.996 1.00 0.00 C ATOM 1326 NE ARG A 86 -9.911 -3.242 6.964 1.00 0.00 N ATOM 1327 CZ ARG A 86 -10.503 -3.050 8.142 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.942 -1.848 8.489 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -10.670 -4.073 8.969 1.00 0.00 N ATOM 0 H ARG A 86 -9.909 -4.811 3.076 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.617 -3.661 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.872 -2.026 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.679 -3.644 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.240 -3.551 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.467 -1.892 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.618 -1.825 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.299 -1.335 6.191 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.628 -4.192 6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.828 -1.060 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.394 -1.712 9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.346 -5.003 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.123 -3.930 9.872 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.853 -1.687 1.315 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.440 -0.809 0.236 1.00 0.00 C ATOM 1345 C CYS A 87 -10.768 0.432 0.792 1.00 0.00 C ATOM 1346 O CYS A 87 -11.407 1.242 1.458 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.632 -0.414 -0.624 1.00 0.00 C ATOM 1348 SG CYS A 87 -12.185 0.604 -2.070 1.00 0.00 S ATOM 0 H CYS A 87 -12.806 -1.542 1.649 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.726 -1.349 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -13.136 -1.317 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -13.346 0.135 -0.010 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.484 0.577 0.524 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.728 1.702 1.040 1.00 0.00 C ATOM 1355 C CYS A 88 -8.834 2.906 0.110 1.00 0.00 C ATOM 1356 O CYS A 88 -8.124 3.019 -0.892 1.00 0.00 O ATOM 1357 CB CYS A 88 -7.277 1.294 1.273 1.00 0.00 C ATOM 1358 SG CYS A 88 -7.095 0.037 2.582 1.00 0.00 S ATOM 0 H CYS A 88 -8.943 -0.071 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.153 2.001 1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.860 0.906 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.695 2.176 1.540 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.753 3.794 0.457 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.990 5.016 -0.295 1.00 0.00 C ATOM 1365 C ARG A 89 -9.272 6.185 0.374 1.00 0.00 C ATOM 1366 O ARG A 89 -9.303 6.308 1.591 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.495 5.282 -0.385 1.00 0.00 C ATOM 1368 CG ARG A 89 -12.182 4.529 -1.508 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.997 5.244 -2.832 1.00 0.00 C ATOM 1370 NE ARG A 89 -12.716 6.515 -2.864 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.291 7.606 -3.499 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -11.117 7.610 -4.117 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -13.041 8.699 -3.508 1.00 0.00 N ATOM 0 H ARG A 89 -10.358 3.687 1.271 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.596 4.904 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.960 5.008 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.658 6.351 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.776 3.520 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.245 4.431 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.936 5.422 -3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.349 4.606 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.604 6.571 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.533 6.774 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.798 8.449 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.942 8.703 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.717 9.536 -3.994 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.601 7.037 -0.422 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.788 8.160 0.086 1.00 0.00 C ATOM 1389 C PRO A 90 -8.510 9.032 1.115 1.00 0.00 C ATOM 1390 O PRO A 90 -9.571 9.593 0.836 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.496 8.977 -1.172 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.557 7.999 -2.289 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.576 6.965 -1.891 1.00 0.00 C ATOM 0 HA PRO A 90 -6.905 7.795 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.229 9.773 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.516 9.451 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.844 8.489 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.583 7.540 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.555 7.184 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.292 5.971 -2.237 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.914 9.161 2.292 1.00 0.00 N ATOM 1402 CA GLY A 91 -8.485 9.983 3.336 1.00 0.00 C ATOM 1403 C GLY A 91 -8.362 9.356 4.714 1.00 0.00 C ATOM 1404 O GLY A 91 -7.314 8.793 5.076 1.00 0.00 O ATOM 0 H GLY A 91 -7.036 8.705 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.990 10.954 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.537 10.162 3.116 1.00 0.00 H new ATOM 1408 N ARG A 92 -9.437 9.477 5.483 1.00 0.00 N ATOM 1409 CA ARG A 92 -9.537 8.873 6.802 1.00 0.00 C ATOM 1410 C ARG A 92 -11.004 8.629 7.141 1.00 0.00 C ATOM 1411 O ARG A 92 -11.355 7.592 7.703 1.00 0.00 O ATOM 1412 CB ARG A 92 -8.890 9.770 7.851 1.00 0.00 C ATOM 1413 CG ARG A 92 -8.867 9.157 9.242 1.00 0.00 C ATOM 1414 CD ARG A 92 -8.242 10.095 10.262 1.00 0.00 C ATOM 1415 NE ARG A 92 -8.992 11.342 10.393 1.00 0.00 N ATOM 1416 CZ ARG A 92 -8.706 12.291 11.281 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -7.692 12.133 12.125 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -9.432 13.400 11.322 1.00 0.00 N ATOM 0 H ARG A 92 -10.268 10.000 5.206 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.008 7.920 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.868 9.995 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.428 10.717 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.884 8.913 9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.308 8.222 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.195 9.597 11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.216 10.318 9.968 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.782 11.494 9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.130 11.282 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.476 12.862 12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.209 13.525 10.673 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.213 14.128 12.002 1.00 0.00 H new