USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -154:sc= 1.07 USER MOD Set 1.2: A 36 CYS SG : rot 75:sc= -5.11! USER MOD Set 1.3: A 56 CYS SG : rot -44:sc= 1.13 USER MOD Set 2.1: A 6 CYS SG : rot -116:sc= 2.03 USER MOD Set 2.2: A 9 CYS SG : rot -158:sc= -2.47! USER MOD Set 2.3: A 27 HIS : no HD1:sc= -2.11 K(o=-2.3,f=-3.2) USER MOD Set 2.4: A 30 CYS SG : rot 139:sc= 0.198 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.37! X(o=-1.4!,f=-1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.0118 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.224 X(o=0.22,f=-0.047) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 54:sc= 0.419 USER MOD Single : A 48 TYR OH : rot 130:sc= 0.147 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 1.48 K(o=1.5,f=-2.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -14.289 -10.194 -8.783 1.00 0.00 N ATOM 22 CA LEU A 3 -14.221 -8.787 -8.402 1.00 0.00 C ATOM 23 C LEU A 3 -12.821 -8.225 -8.651 1.00 0.00 C ATOM 24 O LEU A 3 -12.381 -8.106 -9.796 1.00 0.00 O ATOM 25 CB LEU A 3 -14.598 -8.613 -6.926 1.00 0.00 C ATOM 26 CG LEU A 3 -16.060 -8.889 -6.587 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.164 -10.030 -5.591 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.721 -7.638 -6.033 1.00 0.00 C ATOM 0 HA LEU A 3 -14.932 -8.236 -9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.973 -9.276 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.359 -7.593 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.580 -9.178 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.213 -10.216 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.723 -10.929 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.631 -9.765 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.763 -7.852 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.201 -7.322 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.674 -6.842 -6.776 1.00 0.00 H new ATOM 40 N LEU A 4 -12.096 -7.945 -7.579 1.00 0.00 N ATOM 41 CA LEU A 4 -10.730 -7.466 -7.693 1.00 0.00 C ATOM 42 C LEU A 4 -9.762 -8.517 -7.191 1.00 0.00 C ATOM 43 O LEU A 4 -10.126 -9.376 -6.393 1.00 0.00 O ATOM 44 CB LEU A 4 -10.526 -6.181 -6.894 1.00 0.00 C ATOM 45 CG LEU A 4 -11.686 -5.195 -6.910 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.997 -4.734 -5.498 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.346 -4.011 -7.796 1.00 0.00 C ATOM 0 H LEU A 4 -12.432 -8.042 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.540 -7.260 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.317 -6.450 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.640 -5.675 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.570 -5.689 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.828 -4.029 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.267 -5.594 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.119 -4.247 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.181 -3.310 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.456 -3.512 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.157 -4.359 -8.811 1.00 0.00 H new ATOM 59 N THR A 5 -8.513 -8.395 -7.586 1.00 0.00 N ATOM 60 CA THR A 5 -7.482 -9.291 -7.105 1.00 0.00 C ATOM 61 C THR A 5 -6.249 -8.507 -6.690 1.00 0.00 C ATOM 62 O THR A 5 -5.798 -7.615 -7.409 1.00 0.00 O ATOM 63 CB THR A 5 -7.104 -10.332 -8.163 1.00 0.00 C ATOM 64 OG1 THR A 5 -7.632 -9.948 -9.441 1.00 0.00 O ATOM 65 CG2 THR A 5 -7.647 -11.692 -7.776 1.00 0.00 C ATOM 0 H THR A 5 -8.186 -7.683 -8.240 1.00 0.00 H new ATOM 0 HA THR A 5 -7.883 -9.817 -6.239 1.00 0.00 H new ATOM 0 HB THR A 5 -6.017 -10.387 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.384 -10.618 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.372 -12.423 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.228 -11.991 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.733 -11.641 -7.698 1.00 0.00 H new ATOM 73 N CYS A 6 -5.768 -8.793 -5.494 1.00 0.00 N ATOM 74 CA CYS A 6 -4.652 -8.069 -4.921 1.00 0.00 C ATOM 75 C CYS A 6 -3.328 -8.662 -5.391 1.00 0.00 C ATOM 76 O CYS A 6 -3.233 -9.864 -5.642 1.00 0.00 O ATOM 77 CB CYS A 6 -4.780 -8.079 -3.392 1.00 0.00 C ATOM 78 SG CYS A 6 -3.345 -8.724 -2.473 1.00 0.00 S ATOM 0 H CYS A 6 -6.139 -9.531 -4.896 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.669 -7.033 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.972 -7.060 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.654 -8.673 -3.125 1.00 0.00 H new ATOM 0 HG CYS A 6 -3.691 -9.796 -1.824 1.00 0.00 H new ATOM 83 N GLY A 7 -2.336 -7.805 -5.583 1.00 0.00 N ATOM 84 CA GLY A 7 -1.048 -8.257 -6.078 1.00 0.00 C ATOM 85 C GLY A 7 -0.168 -8.810 -4.973 1.00 0.00 C ATOM 86 O GLY A 7 0.942 -9.279 -5.229 1.00 0.00 O ATOM 0 H GLY A 7 -2.398 -6.803 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.202 -9.025 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.537 -7.427 -6.565 1.00 0.00 H new ATOM 90 N GLY A 8 -0.656 -8.738 -3.744 1.00 0.00 N ATOM 91 CA GLY A 8 0.102 -9.227 -2.613 1.00 0.00 C ATOM 92 C GLY A 8 -0.146 -10.694 -2.337 1.00 0.00 C ATOM 93 O GLY A 8 0.799 -11.459 -2.127 1.00 0.00 O ATOM 0 H GLY A 8 -1.569 -8.347 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.165 -9.070 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.157 -8.646 -1.728 1.00 0.00 H new ATOM 97 N CYS A 9 -1.410 -11.092 -2.332 1.00 0.00 N ATOM 98 CA CYS A 9 -1.762 -12.478 -2.056 1.00 0.00 C ATOM 99 C CYS A 9 -2.531 -13.103 -3.218 1.00 0.00 C ATOM 100 O CYS A 9 -2.447 -14.311 -3.443 1.00 0.00 O ATOM 101 CB CYS A 9 -2.579 -12.571 -0.765 1.00 0.00 C ATOM 102 SG CYS A 9 -4.278 -11.923 -0.895 1.00 0.00 S ATOM 0 H CYS A 9 -2.205 -10.479 -2.515 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.836 -13.039 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.625 -13.615 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.056 -12.027 0.021 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.717 -11.615 0.289 1.00 0.00 H new ATOM 107 N GLN A 10 -3.283 -12.268 -3.936 1.00 0.00 N ATOM 108 CA GLN A 10 -4.076 -12.705 -5.085 1.00 0.00 C ATOM 109 C GLN A 10 -5.213 -13.644 -4.675 1.00 0.00 C ATOM 110 O GLN A 10 -5.720 -14.405 -5.495 1.00 0.00 O ATOM 111 CB GLN A 10 -3.188 -13.370 -6.139 1.00 0.00 C ATOM 112 CG GLN A 10 -3.294 -12.730 -7.512 1.00 0.00 C ATOM 113 CD GLN A 10 -1.956 -12.260 -8.041 1.00 0.00 C ATOM 114 OE1 GLN A 10 -1.335 -12.921 -8.869 1.00 0.00 O ATOM 115 NE2 GLN A 10 -1.506 -11.110 -7.568 1.00 0.00 N ATOM 0 H GLN A 10 -3.359 -11.270 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.528 -11.813 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.151 -13.329 -5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.456 -14.424 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.725 -13.447 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.978 -11.883 -7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.053 -10.592 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.611 -10.741 -7.890 1.00 0.00 H new ATOM 124 N GLN A 11 -5.664 -13.537 -3.427 1.00 0.00 N ATOM 125 CA GLN A 11 -6.779 -14.352 -2.946 1.00 0.00 C ATOM 126 C GLN A 11 -8.122 -13.740 -3.341 1.00 0.00 C ATOM 127 O GLN A 11 -9.173 -14.194 -2.885 1.00 0.00 O ATOM 128 CB GLN A 11 -6.715 -14.505 -1.421 1.00 0.00 C ATOM 129 CG GLN A 11 -7.174 -13.268 -0.664 1.00 0.00 C ATOM 130 CD GLN A 11 -8.233 -13.561 0.380 1.00 0.00 C ATOM 131 OE1 GLN A 11 -9.226 -14.237 0.111 1.00 0.00 O ATOM 132 NE2 GLN A 11 -8.026 -13.055 1.582 1.00 0.00 N ATOM 0 H GLN A 11 -5.277 -12.897 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.693 -15.334 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.332 -15.353 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.691 -14.739 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.313 -12.808 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.566 -12.541 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.190 -12.500 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.702 -13.219 2.328 1.00 0.00 H new ATOM 141 N ASN A 12 -8.059 -12.658 -4.121 1.00 0.00 N ATOM 142 CA ASN A 12 -9.242 -11.889 -4.527 1.00 0.00 C ATOM 143 C ASN A 12 -9.730 -11.014 -3.373 1.00 0.00 C ATOM 144 O ASN A 12 -9.754 -11.440 -2.217 1.00 0.00 O ATOM 145 CB ASN A 12 -10.374 -12.801 -5.036 1.00 0.00 C ATOM 146 CG ASN A 12 -11.746 -12.145 -4.967 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.103 -11.322 -5.812 1.00 0.00 O ATOM 148 ND2 ASN A 12 -12.526 -12.513 -3.968 1.00 0.00 N ATOM 0 H ASN A 12 -7.184 -12.288 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.948 -11.246 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.166 -13.087 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.386 -13.718 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.460 -12.113 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.195 -13.197 -3.288 1.00 0.00 H new ATOM 155 N ILE A 13 -10.056 -9.772 -3.688 1.00 0.00 N ATOM 156 CA ILE A 13 -10.507 -8.822 -2.686 1.00 0.00 C ATOM 157 C ILE A 13 -12.025 -8.847 -2.569 1.00 0.00 C ATOM 158 O ILE A 13 -12.739 -8.394 -3.466 1.00 0.00 O ATOM 159 CB ILE A 13 -10.033 -7.394 -3.007 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.571 -7.417 -3.459 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.203 -6.487 -1.797 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.232 -6.338 -4.461 1.00 0.00 C ATOM 0 H ILE A 13 -10.016 -9.397 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.069 -9.121 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.645 -6.997 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.928 -7.306 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.350 -8.390 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.862 -5.482 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.255 -6.454 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.614 -6.875 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.180 -6.415 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.850 -6.460 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.421 -5.359 -4.020 1.00 0.00 H new ATOM 174 N GLY A 14 -12.506 -9.411 -1.471 1.00 0.00 N ATOM 175 CA GLY A 14 -13.932 -9.514 -1.250 1.00 0.00 C ATOM 176 C GLY A 14 -14.396 -8.630 -0.113 1.00 0.00 C ATOM 177 O GLY A 14 -15.581 -8.603 0.218 1.00 0.00 O ATOM 0 H GLY A 14 -11.929 -9.801 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.461 -9.238 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.191 -10.550 -1.032 1.00 0.00 H new ATOM 181 N ASP A 15 -13.466 -7.870 0.454 1.00 0.00 N ATOM 182 CA ASP A 15 -13.786 -6.945 1.538 1.00 0.00 C ATOM 183 C ASP A 15 -14.574 -5.758 0.996 1.00 0.00 C ATOM 184 O ASP A 15 -14.814 -5.663 -0.208 1.00 0.00 O ATOM 185 CB ASP A 15 -12.509 -6.456 2.226 1.00 0.00 C ATOM 186 CG ASP A 15 -11.718 -7.581 2.861 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.180 -8.143 3.876 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.637 -7.923 2.334 1.00 0.00 O ATOM 0 H ASP A 15 -12.483 -7.875 0.182 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.394 -7.472 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.882 -5.944 1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.771 -5.725 2.991 1.00 0.00 H new ATOM 193 N ARG A 16 -14.971 -4.847 1.872 1.00 0.00 N ATOM 194 CA ARG A 16 -15.726 -3.678 1.443 1.00 0.00 C ATOM 195 C ARG A 16 -14.788 -2.524 1.097 1.00 0.00 C ATOM 196 O ARG A 16 -15.094 -1.701 0.230 1.00 0.00 O ATOM 197 CB ARG A 16 -16.739 -3.252 2.517 1.00 0.00 C ATOM 198 CG ARG A 16 -16.129 -2.531 3.708 1.00 0.00 C ATOM 199 CD ARG A 16 -17.058 -1.453 4.245 1.00 0.00 C ATOM 200 NE ARG A 16 -16.360 -0.514 5.121 1.00 0.00 N ATOM 201 CZ ARG A 16 -16.803 0.709 5.419 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.957 1.143 4.928 1.00 0.00 N ATOM 203 NH2 ARG A 16 -16.094 1.497 6.217 1.00 0.00 N ATOM 0 H ARG A 16 -14.786 -4.893 2.874 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.281 -3.948 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -17.485 -2.603 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.264 -4.138 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.911 -3.251 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.180 -2.082 3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.502 -0.909 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.876 -1.920 4.793 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.476 -0.813 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -18.511 0.541 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.290 2.079 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.209 1.168 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.434 2.432 6.444 1.00 0.00 H new ATOM 217 N TYR A 17 -13.640 -2.484 1.756 1.00 0.00 N ATOM 218 CA TYR A 17 -12.663 -1.436 1.523 1.00 0.00 C ATOM 219 C TYR A 17 -11.320 -2.051 1.146 1.00 0.00 C ATOM 220 O TYR A 17 -10.942 -3.099 1.675 1.00 0.00 O ATOM 221 CB TYR A 17 -12.517 -0.576 2.780 1.00 0.00 C ATOM 222 CG TYR A 17 -12.441 0.907 2.504 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.399 1.535 1.717 1.00 0.00 C ATOM 224 CD2 TYR A 17 -11.425 1.682 3.041 1.00 0.00 C ATOM 225 CE1 TYR A 17 -13.343 2.893 1.472 1.00 0.00 C ATOM 226 CE2 TYR A 17 -11.365 3.042 2.806 1.00 0.00 C ATOM 227 CZ TYR A 17 -12.325 3.642 2.021 1.00 0.00 C ATOM 228 OH TYR A 17 -12.277 5.000 1.793 1.00 0.00 O ATOM 0 H TYR A 17 -13.363 -3.169 2.459 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.002 -0.806 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.362 -0.769 3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.618 -0.882 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.201 0.951 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.668 1.215 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.092 3.365 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.569 3.632 3.236 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.499 5.381 2.251 1.00 0.00 H new ATOM 238 N PHE A 18 -10.617 -1.427 0.212 1.00 0.00 N ATOM 239 CA PHE A 18 -9.329 -1.943 -0.228 1.00 0.00 C ATOM 240 C PHE A 18 -8.426 -0.822 -0.716 1.00 0.00 C ATOM 241 O PHE A 18 -8.835 0.332 -0.790 1.00 0.00 O ATOM 242 CB PHE A 18 -9.507 -3.002 -1.323 1.00 0.00 C ATOM 243 CG PHE A 18 -9.840 -2.463 -2.692 1.00 0.00 C ATOM 244 CD1 PHE A 18 -11.019 -1.761 -2.926 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.974 -2.675 -3.753 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.318 -1.288 -4.187 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.271 -2.203 -5.015 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.445 -1.510 -5.232 1.00 0.00 C ATOM 0 H PHE A 18 -10.914 -0.569 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.852 -2.414 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.589 -3.586 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.298 -3.687 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.707 -1.585 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.054 -3.217 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.235 -0.744 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.586 -2.375 -5.832 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.680 -1.142 -6.220 1.00 0.00 H new ATOM 258 N LEU A 19 -7.203 -1.178 -1.061 1.00 0.00 N ATOM 259 CA LEU A 19 -6.226 -0.218 -1.545 1.00 0.00 C ATOM 260 C LEU A 19 -5.802 -0.571 -2.965 1.00 0.00 C ATOM 261 O LEU A 19 -5.612 -1.735 -3.280 1.00 0.00 O ATOM 262 CB LEU A 19 -5.000 -0.221 -0.627 1.00 0.00 C ATOM 263 CG LEU A 19 -5.044 0.763 0.545 1.00 0.00 C ATOM 264 CD1 LEU A 19 -4.107 0.309 1.654 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.671 2.161 0.079 1.00 0.00 C ATOM 0 H LEU A 19 -6.859 -2.137 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.677 0.774 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.871 -1.227 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.118 -0.001 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.061 0.788 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.150 1.019 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.411 -0.677 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.088 0.259 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.707 2.848 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.663 2.149 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.375 2.489 -0.686 1.00 0.00 H new ATOM 277 N LYS A 20 -5.643 0.430 -3.816 1.00 0.00 N ATOM 278 CA LYS A 20 -5.187 0.205 -5.183 1.00 0.00 C ATOM 279 C LYS A 20 -4.653 1.517 -5.757 1.00 0.00 C ATOM 280 O LYS A 20 -5.174 2.578 -5.412 1.00 0.00 O ATOM 281 CB LYS A 20 -6.336 -0.367 -6.041 1.00 0.00 C ATOM 282 CG LYS A 20 -6.617 0.377 -7.343 1.00 0.00 C ATOM 283 CD LYS A 20 -7.706 1.429 -7.178 1.00 0.00 C ATOM 284 CE LYS A 20 -9.093 0.820 -7.316 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.527 0.712 -8.736 1.00 0.00 N ATOM 0 H LYS A 20 -5.822 1.407 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.380 -0.528 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.106 -1.406 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.246 -0.371 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.702 0.855 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.916 -0.337 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.611 1.903 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.575 2.211 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.099 -0.170 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.810 1.428 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.565 0.741 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.133 1.505 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.186 -0.186 -9.136 1.00 0.00 H new ATOM 299 N ALA A 21 -3.638 1.440 -6.636 1.00 0.00 N ATOM 300 CA ALA A 21 -3.066 2.639 -7.280 1.00 0.00 C ATOM 301 C ALA A 21 -1.794 2.313 -8.054 1.00 0.00 C ATOM 302 O ALA A 21 -1.500 2.952 -9.066 1.00 0.00 O ATOM 303 CB ALA A 21 -2.751 3.727 -6.262 1.00 0.00 C ATOM 0 H ALA A 21 -3.197 0.564 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.825 3.001 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.332 4.593 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.666 4.018 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.030 3.349 -5.537 1.00 0.00 H new ATOM 309 N ILE A 22 -0.968 1.447 -7.472 1.00 0.00 N ATOM 310 CA ILE A 22 0.360 1.149 -8.012 1.00 0.00 C ATOM 311 C ILE A 22 0.301 0.742 -9.485 1.00 0.00 C ATOM 312 O ILE A 22 1.014 1.294 -10.322 1.00 0.00 O ATOM 313 CB ILE A 22 1.043 0.017 -7.205 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.397 0.509 -5.799 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.287 -0.488 -7.924 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.249 -0.459 -5.004 1.00 0.00 C ATOM 0 H ILE A 22 -1.196 0.935 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 22 0.943 2.066 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 22 0.343 -0.814 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.924 1.459 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.475 0.702 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.749 -1.282 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.009 -0.875 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.995 0.332 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.456 -0.038 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.716 -1.403 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.188 -0.633 -5.529 1.00 0.00 H new ATOM 328 N ASP A 23 -0.538 -0.236 -9.778 1.00 0.00 N ATOM 329 CA ASP A 23 -0.675 -0.776 -11.132 1.00 0.00 C ATOM 330 C ASP A 23 -1.806 -1.783 -11.154 1.00 0.00 C ATOM 331 O ASP A 23 -2.368 -2.101 -12.196 1.00 0.00 O ATOM 332 CB ASP A 23 0.623 -1.464 -11.575 1.00 0.00 C ATOM 333 CG ASP A 23 0.827 -1.451 -13.080 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.168 -1.471 -13.833 1.00 0.00 O ATOM 335 OD2 ASP A 23 1.996 -1.424 -13.520 1.00 0.00 O ATOM 0 H ASP A 23 -1.145 -0.682 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.887 0.045 -11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.469 -0.971 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.616 -2.496 -11.225 1.00 0.00 H new ATOM 340 N GLN A 24 -2.156 -2.248 -9.971 1.00 0.00 N ATOM 341 CA GLN A 24 -3.223 -3.207 -9.811 1.00 0.00 C ATOM 342 C GLN A 24 -3.927 -2.956 -8.492 1.00 0.00 C ATOM 343 O GLN A 24 -3.559 -2.034 -7.754 1.00 0.00 O ATOM 344 CB GLN A 24 -2.668 -4.635 -9.863 1.00 0.00 C ATOM 345 CG GLN A 24 -1.588 -4.917 -8.832 1.00 0.00 C ATOM 346 CD GLN A 24 -0.214 -5.053 -9.461 1.00 0.00 C ATOM 347 OE1 GLN A 24 0.012 -5.907 -10.318 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.714 -4.214 -9.037 1.00 0.00 N ATOM 0 H GLN A 24 -1.708 -1.970 -9.098 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.938 -3.093 -10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.488 -5.338 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.263 -4.820 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.571 -4.112 -8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.832 -5.834 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.487 -3.520 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.657 -4.260 -9.422 1.00 0.00 H new ATOM 357 N TYR A 25 -4.895 -3.793 -8.174 1.00 0.00 N ATOM 358 CA TYR A 25 -5.608 -3.679 -6.917 1.00 0.00 C ATOM 359 C TYR A 25 -4.858 -4.433 -5.829 1.00 0.00 C ATOM 360 O TYR A 25 -4.085 -5.346 -6.120 1.00 0.00 O ATOM 361 CB TYR A 25 -7.038 -4.213 -7.051 1.00 0.00 C ATOM 362 CG TYR A 25 -7.657 -3.979 -8.411 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.722 -2.703 -8.962 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.175 -5.037 -9.145 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.287 -2.493 -10.206 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.740 -4.835 -10.389 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.794 -3.564 -10.916 1.00 0.00 C ATOM 368 OH TYR A 25 -9.354 -3.369 -12.160 1.00 0.00 O ATOM 0 H TYR A 25 -5.206 -4.560 -8.770 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.667 -2.625 -6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.036 -5.283 -6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.663 -3.742 -6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.325 -1.864 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.136 -6.036 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.332 -1.497 -10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.138 -5.670 -10.946 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.660 -4.228 -12.519 1.00 0.00 H new ATOM 378 N TRP A 26 -5.021 -3.993 -4.595 1.00 0.00 N ATOM 379 CA TRP A 26 -4.324 -4.590 -3.474 1.00 0.00 C ATOM 380 C TRP A 26 -5.292 -4.864 -2.335 1.00 0.00 C ATOM 381 O TRP A 26 -6.498 -4.651 -2.455 1.00 0.00 O ATOM 382 CB TRP A 26 -3.210 -3.666 -2.965 1.00 0.00 C ATOM 383 CG TRP A 26 -2.192 -3.283 -3.994 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.198 -2.168 -4.782 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.005 -4.005 -4.327 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.086 -2.157 -5.587 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.340 -3.273 -5.327 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.437 -5.198 -3.876 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.859 -3.699 -5.886 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.753 -5.618 -4.432 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.392 -4.867 -5.427 1.00 0.00 C ATOM 0 H TRP A 26 -5.635 -3.218 -4.344 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.884 -5.526 -3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.664 -2.758 -2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.701 -4.157 -2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.964 -1.407 -4.773 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.854 -1.434 -6.268 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.921 -5.781 -3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.351 -3.125 -6.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.200 -6.542 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.326 -5.220 -5.839 1.00 0.00 H new ATOM 402 N HIS A 27 -4.724 -5.170 -1.191 1.00 0.00 N ATOM 403 CA HIS A 27 -5.486 -5.335 0.031 1.00 0.00 C ATOM 404 C HIS A 27 -5.036 -4.279 1.031 1.00 0.00 C ATOM 405 O HIS A 27 -3.941 -3.729 0.894 1.00 0.00 O ATOM 406 CB HIS A 27 -5.264 -6.732 0.615 1.00 0.00 C ATOM 407 CG HIS A 27 -6.319 -7.734 0.265 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.996 -8.980 -0.212 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.668 -7.646 0.371 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.132 -9.623 -0.384 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.182 -8.855 -0.042 1.00 0.00 N ATOM 0 H HIS A 27 -3.720 -5.312 -1.079 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.548 -5.219 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.300 -7.105 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.205 -6.651 1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.232 -6.791 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.211 -10.635 -0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.167 -9.117 -0.081 1.00 0.00 H new ATOM 419 N GLU A 28 -5.871 -3.991 2.016 1.00 0.00 N ATOM 420 CA GLU A 28 -5.567 -2.966 3.003 1.00 0.00 C ATOM 421 C GLU A 28 -4.330 -3.329 3.831 1.00 0.00 C ATOM 422 O GLU A 28 -3.581 -2.451 4.256 1.00 0.00 O ATOM 423 CB GLU A 28 -6.773 -2.763 3.920 1.00 0.00 C ATOM 424 CG GLU A 28 -7.574 -1.507 3.611 1.00 0.00 C ATOM 425 CD GLU A 28 -8.720 -1.291 4.582 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.229 -2.285 5.143 1.00 0.00 O ATOM 427 OE2 GLU A 28 -9.106 -0.123 4.803 1.00 0.00 O ATOM 0 H GLU A 28 -6.769 -4.455 2.154 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.349 -2.039 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.429 -3.630 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.429 -2.718 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.911 -0.642 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.969 -1.573 2.597 1.00 0.00 H new ATOM 434 N ASP A 29 -4.174 -4.611 4.137 1.00 0.00 N ATOM 435 CA ASP A 29 -3.091 -5.059 5.010 1.00 0.00 C ATOM 436 C ASP A 29 -2.105 -5.970 4.284 1.00 0.00 C ATOM 437 O ASP A 29 -1.202 -6.545 4.894 1.00 0.00 O ATOM 438 CB ASP A 29 -3.673 -5.787 6.221 1.00 0.00 C ATOM 439 CG ASP A 29 -2.738 -5.780 7.409 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.496 -4.696 7.971 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.247 -6.861 7.797 1.00 0.00 O ATOM 0 H ASP A 29 -4.780 -5.358 3.796 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.542 -4.175 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.616 -5.319 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.898 -6.818 5.947 1.00 0.00 H new ATOM 446 N CYS A 30 -2.281 -6.117 2.983 1.00 0.00 N ATOM 447 CA CYS A 30 -1.420 -6.992 2.199 1.00 0.00 C ATOM 448 C CYS A 30 -0.169 -6.268 1.729 1.00 0.00 C ATOM 449 O CYS A 30 0.899 -6.872 1.617 1.00 0.00 O ATOM 450 CB CYS A 30 -2.173 -7.536 0.994 1.00 0.00 C ATOM 451 SG CYS A 30 -2.802 -9.229 1.222 1.00 0.00 S ATOM 0 H CYS A 30 -3.009 -5.645 2.446 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.119 -7.817 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.010 -6.874 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.513 -7.517 0.127 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.997 -9.320 0.718 1.00 0.00 H new ATOM 456 N LEU A 31 -0.337 -5.007 1.361 1.00 0.00 N ATOM 457 CA LEU A 31 0.753 -4.211 0.813 1.00 0.00 C ATOM 458 C LEU A 31 1.918 -4.115 1.792 1.00 0.00 C ATOM 459 O LEU A 31 1.917 -3.296 2.710 1.00 0.00 O ATOM 460 CB LEU A 31 0.254 -2.817 0.437 1.00 0.00 C ATOM 461 CG LEU A 31 0.281 -2.509 -1.061 1.00 0.00 C ATOM 462 CD1 LEU A 31 -0.629 -1.339 -1.380 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.701 -2.224 -1.528 1.00 0.00 C ATOM 0 H LEU A 31 -1.224 -4.509 1.432 1.00 0.00 H new ATOM 0 HA LEU A 31 1.115 -4.710 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.768 -2.702 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.862 -2.076 0.957 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.084 -3.386 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.597 -1.134 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.650 -1.582 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.295 -0.458 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.696 -2.008 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.097 -1.365 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.328 -3.095 -1.337 1.00 0.00 H new ATOM 475 N SER A 32 2.889 -4.994 1.602 1.00 0.00 N ATOM 476 CA SER A 32 4.085 -5.050 2.426 1.00 0.00 C ATOM 477 C SER A 32 5.225 -5.603 1.581 1.00 0.00 C ATOM 478 O SER A 32 4.971 -6.264 0.568 1.00 0.00 O ATOM 479 CB SER A 32 3.858 -5.938 3.657 1.00 0.00 C ATOM 480 OG SER A 32 2.479 -6.196 3.873 1.00 0.00 O ATOM 0 H SER A 32 2.868 -5.696 0.863 1.00 0.00 H new ATOM 0 HA SER A 32 4.331 -4.049 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.388 -6.881 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.280 -5.453 4.538 1.00 0.00 H new ATOM 0 HG SER A 32 2.084 -6.568 3.057 1.00 0.00 H new ATOM 486 N CYS A 33 6.467 -5.285 1.935 1.00 0.00 N ATOM 487 CA CYS A 33 7.598 -5.722 1.138 1.00 0.00 C ATOM 488 C CYS A 33 7.789 -7.234 1.206 1.00 0.00 C ATOM 489 O CYS A 33 7.241 -7.906 2.079 1.00 0.00 O ATOM 490 CB CYS A 33 8.893 -5.055 1.568 1.00 0.00 C ATOM 491 SG CYS A 33 8.803 -3.994 3.035 1.00 0.00 S ATOM 0 H CYS A 33 6.709 -4.734 2.758 1.00 0.00 H new ATOM 0 HA CYS A 33 7.366 -5.429 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.633 -5.833 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.262 -4.456 0.735 1.00 0.00 H new ATOM 0 HG CYS A 33 9.750 -3.104 2.986 1.00 0.00 H new ATOM 496 N ASP A 34 8.634 -7.741 0.326 1.00 0.00 N ATOM 497 CA ASP A 34 8.986 -9.154 0.328 1.00 0.00 C ATOM 498 C ASP A 34 9.976 -9.455 1.443 1.00 0.00 C ATOM 499 O ASP A 34 9.865 -10.466 2.140 1.00 0.00 O ATOM 500 CB ASP A 34 9.601 -9.545 -1.010 1.00 0.00 C ATOM 501 CG ASP A 34 9.660 -11.045 -1.207 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.669 -11.627 -1.695 1.00 0.00 O ATOM 503 OD2 ASP A 34 10.699 -11.655 -0.879 1.00 0.00 O ATOM 0 H ASP A 34 9.092 -7.194 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 34 8.076 -9.731 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.020 -9.099 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.608 -9.133 -1.077 1.00 0.00 H new ATOM 508 N LEU A 35 10.989 -8.608 1.550 1.00 0.00 N ATOM 509 CA LEU A 35 12.059 -8.813 2.517 1.00 0.00 C ATOM 510 C LEU A 35 11.570 -8.593 3.950 1.00 0.00 C ATOM 511 O LEU A 35 11.574 -9.522 4.756 1.00 0.00 O ATOM 512 CB LEU A 35 13.231 -7.878 2.214 1.00 0.00 C ATOM 513 CG LEU A 35 14.519 -8.183 2.978 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.964 -9.617 2.731 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.614 -7.207 2.579 1.00 0.00 C ATOM 0 H LEU A 35 11.093 -7.770 0.978 1.00 0.00 H new ATOM 0 HA LEU A 35 12.391 -9.847 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.442 -7.920 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.927 -6.856 2.439 1.00 0.00 H new ATOM 0 HG LEU A 35 14.323 -8.067 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.883 -9.813 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.185 -10.302 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.143 -9.764 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.525 -7.437 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.806 -7.293 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.297 -6.190 2.810 1.00 0.00 H new ATOM 527 N CYS A 36 11.127 -7.379 4.255 1.00 0.00 N ATOM 528 CA CYS A 36 10.630 -7.068 5.589 1.00 0.00 C ATOM 529 C CYS A 36 9.148 -7.398 5.706 1.00 0.00 C ATOM 530 O CYS A 36 8.754 -8.289 6.464 1.00 0.00 O ATOM 531 CB CYS A 36 10.868 -5.593 5.919 1.00 0.00 C ATOM 532 SG CYS A 36 12.122 -4.790 4.872 1.00 0.00 S ATOM 0 H CYS A 36 11.102 -6.598 3.600 1.00 0.00 H new ATOM 0 HA CYS A 36 11.178 -7.681 6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.927 -5.053 5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.174 -5.510 6.962 1.00 0.00 H new ATOM 0 HG CYS A 36 11.622 -4.562 3.694 1.00 0.00 H new ATOM 537 N GLY A 37 8.339 -6.697 4.929 1.00 0.00 N ATOM 538 CA GLY A 37 6.914 -6.939 4.932 1.00 0.00 C ATOM 539 C GLY A 37 6.249 -6.466 6.205 1.00 0.00 C ATOM 540 O GLY A 37 5.599 -7.247 6.901 1.00 0.00 O ATOM 0 H GLY A 37 8.646 -5.961 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.461 -6.433 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.730 -8.006 4.804 1.00 0.00 H new ATOM 710 N TYR A 48 6.417 2.832 -1.616 1.00 0.00 N ATOM 711 CA TYR A 48 7.374 2.662 -2.695 1.00 0.00 C ATOM 712 C TYR A 48 7.295 1.231 -3.198 1.00 0.00 C ATOM 713 O TYR A 48 6.765 0.363 -2.502 1.00 0.00 O ATOM 714 CB TYR A 48 8.803 2.980 -2.220 1.00 0.00 C ATOM 715 CG TYR A 48 8.880 3.964 -1.069 1.00 0.00 C ATOM 716 CD1 TYR A 48 8.935 5.338 -1.295 1.00 0.00 C ATOM 717 CD2 TYR A 48 8.903 3.517 0.247 1.00 0.00 C ATOM 718 CE1 TYR A 48 9.005 6.230 -0.246 1.00 0.00 C ATOM 719 CE2 TYR A 48 8.972 4.408 1.301 1.00 0.00 C ATOM 720 CZ TYR A 48 9.023 5.762 1.048 1.00 0.00 C ATOM 721 OH TYR A 48 9.094 6.654 2.094 1.00 0.00 O ATOM 0 HA TYR A 48 7.131 3.354 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.287 2.051 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.371 3.379 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.923 5.710 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.866 2.457 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.046 7.292 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.986 4.045 2.318 1.00 0.00 H new ATOM 0 HH TYR A 48 8.395 6.446 2.749 1.00 0.00 H new ATOM 731 N TYR A 49 7.800 0.980 -4.395 1.00 0.00 N ATOM 732 CA TYR A 49 7.806 -0.372 -4.938 1.00 0.00 C ATOM 733 C TYR A 49 8.830 -0.490 -6.064 1.00 0.00 C ATOM 734 O TYR A 49 9.077 0.468 -6.798 1.00 0.00 O ATOM 735 CB TYR A 49 6.389 -0.784 -5.390 1.00 0.00 C ATOM 736 CG TYR A 49 6.118 -0.695 -6.880 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.936 0.533 -7.507 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.023 -1.845 -7.654 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.672 0.610 -8.864 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.762 -1.775 -9.009 1.00 0.00 C ATOM 741 CZ TYR A 49 5.588 -0.547 -9.610 1.00 0.00 C ATOM 742 OH TYR A 49 5.322 -0.476 -10.959 1.00 0.00 O ATOM 0 H TYR A 49 8.208 1.687 -5.006 1.00 0.00 H new ATOM 0 HA TYR A 49 8.106 -1.068 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.210 -1.810 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.666 -0.156 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.002 1.441 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.155 -2.810 -7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.533 1.571 -9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.695 -2.680 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 49 5.298 -1.380 -11.336 1.00 0.00 H new ATOM 752 N LYS A 50 9.477 -1.644 -6.144 1.00 0.00 N ATOM 753 CA LYS A 50 10.521 -1.869 -7.133 1.00 0.00 C ATOM 754 C LYS A 50 9.923 -2.240 -8.481 1.00 0.00 C ATOM 755 O LYS A 50 8.724 -2.461 -8.586 1.00 0.00 O ATOM 756 CB LYS A 50 11.480 -2.970 -6.668 1.00 0.00 C ATOM 757 CG LYS A 50 12.894 -2.474 -6.390 1.00 0.00 C ATOM 758 CD LYS A 50 13.372 -1.504 -7.460 1.00 0.00 C ATOM 759 CE LYS A 50 14.832 -1.132 -7.272 1.00 0.00 C ATOM 760 NZ LYS A 50 15.303 -0.188 -8.320 1.00 0.00 N ATOM 0 H LYS A 50 9.296 -2.441 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 50 11.079 -0.939 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.081 -3.429 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.521 -3.749 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.923 -1.985 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.574 -3.324 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.235 -1.952 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.761 -0.602 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.968 -0.681 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.443 -2.035 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.304 0.041 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.197 -0.628 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.737 0.684 -8.281 1.00 0.00 H new ATOM 774 N LEU A 51 10.779 -2.266 -9.500 1.00 0.00 N ATOM 775 CA LEU A 51 10.397 -2.550 -10.887 1.00 0.00 C ATOM 776 C LEU A 51 9.246 -3.560 -11.021 1.00 0.00 C ATOM 777 O LEU A 51 8.313 -3.332 -11.792 1.00 0.00 O ATOM 778 CB LEU A 51 11.622 -3.035 -11.676 1.00 0.00 C ATOM 779 CG LEU A 51 12.157 -4.424 -11.305 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.070 -4.948 -12.399 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.892 -4.386 -9.974 1.00 0.00 C ATOM 0 H LEU A 51 11.777 -2.087 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 51 10.025 -1.613 -11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.369 -3.037 -12.736 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.425 -2.311 -11.542 1.00 0.00 H new ATOM 0 HG LEU A 51 11.308 -5.100 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.442 -5.934 -12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.514 -5.020 -13.334 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.911 -4.267 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.261 -5.383 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.732 -3.694 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.210 -4.053 -9.191 1.00 0.00 H new ATOM 793 N GLY A 52 9.313 -4.675 -10.300 1.00 0.00 N ATOM 794 CA GLY A 52 8.272 -5.676 -10.417 1.00 0.00 C ATOM 795 C GLY A 52 7.943 -6.363 -9.107 1.00 0.00 C ATOM 796 O GLY A 52 7.340 -7.438 -9.106 1.00 0.00 O ATOM 0 H GLY A 52 10.061 -4.901 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.370 -5.206 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.581 -6.427 -11.144 1.00 0.00 H new ATOM 800 N ARG A 53 8.281 -5.736 -7.988 1.00 0.00 N ATOM 801 CA ARG A 53 7.968 -6.315 -6.685 1.00 0.00 C ATOM 802 C ARG A 53 7.741 -5.237 -5.638 1.00 0.00 C ATOM 803 O ARG A 53 8.333 -4.159 -5.702 1.00 0.00 O ATOM 804 CB ARG A 53 9.084 -7.262 -6.226 1.00 0.00 C ATOM 805 CG ARG A 53 10.413 -6.574 -5.954 1.00 0.00 C ATOM 806 CD ARG A 53 11.037 -7.059 -4.661 1.00 0.00 C ATOM 807 NE ARG A 53 12.000 -8.108 -4.927 1.00 0.00 N ATOM 808 CZ ARG A 53 12.506 -8.924 -4.001 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.252 -8.715 -2.716 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.293 -9.929 -4.360 1.00 0.00 N ATOM 0 H ARG A 53 8.765 -4.839 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 53 7.045 -6.884 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.761 -7.774 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.233 -8.027 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.097 -6.762 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.262 -5.496 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.526 -6.228 -4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.261 -7.430 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 53 12.313 -8.231 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.668 -7.928 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.641 -9.341 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.512 -10.079 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.679 -10.552 -3.651 1.00 0.00 H new ATOM 824 N LYS A 54 6.913 -5.552 -4.654 1.00 0.00 N ATOM 825 CA LYS A 54 6.639 -4.628 -3.563 1.00 0.00 C ATOM 826 C LYS A 54 7.757 -4.686 -2.528 1.00 0.00 C ATOM 827 O LYS A 54 8.111 -5.765 -2.043 1.00 0.00 O ATOM 828 CB LYS A 54 5.294 -4.941 -2.890 1.00 0.00 C ATOM 829 CG LYS A 54 4.453 -5.980 -3.620 1.00 0.00 C ATOM 830 CD LYS A 54 3.894 -7.016 -2.657 1.00 0.00 C ATOM 831 CE LYS A 54 3.458 -8.281 -3.382 1.00 0.00 C ATOM 832 NZ LYS A 54 4.505 -9.337 -3.348 1.00 0.00 N ATOM 0 H LYS A 54 6.418 -6.442 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 54 6.586 -3.624 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.482 -5.291 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.719 -4.019 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.633 -5.486 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.060 -6.475 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.650 -7.266 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.045 -6.593 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.544 -8.663 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.221 -8.040 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.165 -10.180 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.369 -8.984 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.714 -9.587 -2.360 1.00 0.00 H new ATOM 846 N LEU A 55 8.310 -3.525 -2.203 1.00 0.00 N ATOM 847 CA LEU A 55 9.373 -3.418 -1.214 1.00 0.00 C ATOM 848 C LEU A 55 9.454 -1.978 -0.712 1.00 0.00 C ATOM 849 O LEU A 55 8.966 -1.071 -1.384 1.00 0.00 O ATOM 850 CB LEU A 55 10.705 -3.898 -1.818 1.00 0.00 C ATOM 851 CG LEU A 55 11.728 -2.822 -2.197 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.055 -3.475 -2.552 1.00 0.00 C ATOM 853 CD2 LEU A 55 11.232 -1.979 -3.361 1.00 0.00 C ATOM 0 H LEU A 55 8.035 -2.634 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 55 9.157 -4.059 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.175 -4.575 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.481 -4.481 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 55 11.866 -2.164 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.779 -2.706 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.425 -4.037 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.914 -4.151 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.979 -1.224 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.063 -2.619 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.299 -1.489 -3.084 1.00 0.00 H new ATOM 865 N CYS A 56 10.038 -1.756 0.461 1.00 0.00 N ATOM 866 CA CYS A 56 10.134 -0.399 0.982 1.00 0.00 C ATOM 867 C CYS A 56 11.388 0.283 0.478 1.00 0.00 C ATOM 868 O CYS A 56 12.230 -0.329 -0.169 1.00 0.00 O ATOM 869 CB CYS A 56 10.106 -0.356 2.512 1.00 0.00 C ATOM 870 SG CYS A 56 11.489 -1.210 3.340 1.00 0.00 S ATOM 0 H CYS A 56 10.443 -2.479 1.056 1.00 0.00 H new ATOM 0 HA CYS A 56 9.256 0.135 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.102 0.687 2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.170 -0.798 2.855 1.00 0.00 H new ATOM 0 HG CYS A 56 11.698 -2.356 2.764 1.00 0.00 H new ATOM 875 N ARG A 57 11.546 1.528 0.876 1.00 0.00 N ATOM 876 CA ARG A 57 12.726 2.296 0.510 1.00 0.00 C ATOM 877 C ARG A 57 13.870 2.003 1.470 1.00 0.00 C ATOM 878 O ARG A 57 15.008 2.404 1.235 1.00 0.00 O ATOM 879 CB ARG A 57 12.413 3.797 0.501 1.00 0.00 C ATOM 880 CG ARG A 57 13.395 4.624 -0.315 1.00 0.00 C ATOM 881 CD ARG A 57 13.089 4.569 -1.805 1.00 0.00 C ATOM 882 NE ARG A 57 13.797 5.621 -2.538 1.00 0.00 N ATOM 883 CZ ARG A 57 13.416 6.103 -3.719 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.441 5.517 -4.406 1.00 0.00 N ATOM 885 NH2 ARG A 57 14.056 7.143 -4.237 1.00 0.00 N ATOM 0 H ARG A 57 10.874 2.033 1.453 1.00 0.00 H new ATOM 0 HA ARG A 57 13.028 2.000 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.409 3.947 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.408 4.164 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.365 5.660 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.408 4.261 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.374 3.594 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.015 4.675 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 57 14.639 6.011 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.977 4.690 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.156 5.894 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.834 7.567 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.771 7.519 -5.141 1.00 0.00 H new ATOM 899 N ARG A 58 13.584 1.240 2.516 1.00 0.00 N ATOM 900 CA ARG A 58 14.619 0.852 3.461 1.00 0.00 C ATOM 901 C ARG A 58 15.256 -0.455 3.025 1.00 0.00 C ATOM 902 O ARG A 58 16.472 -0.541 2.884 1.00 0.00 O ATOM 903 CB ARG A 58 14.066 0.717 4.885 1.00 0.00 C ATOM 904 CG ARG A 58 12.725 1.396 5.102 1.00 0.00 C ATOM 905 CD ARG A 58 12.884 2.878 5.402 1.00 0.00 C ATOM 906 NE ARG A 58 11.636 3.604 5.180 1.00 0.00 N ATOM 907 CZ ARG A 58 11.548 4.766 4.543 1.00 0.00 C ATOM 908 NH1 ARG A 58 12.646 5.384 4.106 1.00 0.00 N ATOM 909 NH2 ARG A 58 10.356 5.315 4.355 1.00 0.00 N ATOM 0 H ARG A 58 12.653 0.881 2.730 1.00 0.00 H new ATOM 0 HA ARG A 58 15.372 1.640 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.967 -0.342 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.790 1.136 5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.106 1.269 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.202 0.912 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.204 3.009 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.667 3.297 4.770 1.00 0.00 H new ATOM 0 HE ARG A 58 10.775 3.191 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.563 4.964 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.569 6.276 3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.518 4.845 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.277 6.207 3.867 1.00 0.00 H new ATOM 923 N ASP A 59 14.431 -1.454 2.750 1.00 0.00 N ATOM 924 CA ASP A 59 14.939 -2.748 2.314 1.00 0.00 C ATOM 925 C ASP A 59 15.390 -2.699 0.858 1.00 0.00 C ATOM 926 O ASP A 59 16.270 -3.458 0.453 1.00 0.00 O ATOM 927 CB ASP A 59 13.920 -3.869 2.590 1.00 0.00 C ATOM 928 CG ASP A 59 12.979 -4.207 1.445 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.457 -4.742 0.415 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.744 -4.002 1.579 1.00 0.00 O ATOM 0 H ASP A 59 13.415 -1.396 2.820 1.00 0.00 H new ATOM 0 HA ASP A 59 15.824 -2.986 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.467 -4.771 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.321 -3.584 3.455 1.00 0.00 H new ATOM 935 N TYR A 60 14.972 -1.654 0.151 1.00 0.00 N ATOM 936 CA TYR A 60 15.514 -1.372 -1.174 1.00 0.00 C ATOM 937 C TYR A 60 16.926 -0.814 -1.033 1.00 0.00 C ATOM 938 O TYR A 60 17.836 -1.200 -1.764 1.00 0.00 O ATOM 939 CB TYR A 60 14.604 -0.390 -1.937 1.00 0.00 C ATOM 940 CG TYR A 60 15.326 0.721 -2.674 1.00 0.00 C ATOM 941 CD1 TYR A 60 15.797 0.535 -3.969 1.00 0.00 C ATOM 942 CD2 TYR A 60 15.518 1.963 -2.081 1.00 0.00 C ATOM 943 CE1 TYR A 60 16.443 1.553 -4.646 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.156 2.986 -2.754 1.00 0.00 C ATOM 945 CZ TYR A 60 16.618 2.776 -4.033 1.00 0.00 C ATOM 946 OH TYR A 60 17.252 3.799 -4.705 1.00 0.00 O ATOM 0 H TYR A 60 14.265 -0.992 0.470 1.00 0.00 H new ATOM 0 HA TYR A 60 15.555 -2.296 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.010 -0.954 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.907 0.059 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.656 -0.420 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.162 2.131 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.809 1.391 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.292 3.946 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 60 17.292 4.592 -4.131 1.00 0.00 H new ATOM 1420 N LEU A 96 1.660 6.163 -4.696 1.00 0.00 N ATOM 1421 CA LEU A 96 0.662 6.344 -3.655 1.00 0.00 C ATOM 1422 C LEU A 96 -0.286 5.158 -3.655 1.00 0.00 C ATOM 1423 O LEU A 96 -0.130 4.234 -4.457 1.00 0.00 O ATOM 1424 CB LEU A 96 -0.124 7.643 -3.861 1.00 0.00 C ATOM 1425 CG LEU A 96 0.389 8.550 -4.981 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.737 8.899 -5.941 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.013 9.811 -4.401 1.00 0.00 C ATOM 0 HA LEU A 96 1.171 6.409 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.163 7.390 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.114 8.206 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 96 1.158 8.013 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.354 9.545 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.137 7.985 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.529 9.418 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.373 10.445 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.266 10.353 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.848 9.540 -3.755 1.00 0.00 H new ATOM 1439 N ILE A 97 -1.304 5.212 -2.812 1.00 0.00 N ATOM 1440 CA ILE A 97 -2.318 4.179 -2.777 1.00 0.00 C ATOM 1441 C ILE A 97 -3.648 4.785 -2.399 1.00 0.00 C ATOM 1442 O ILE A 97 -3.720 5.656 -1.530 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.994 3.039 -1.791 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.751 3.363 -0.961 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.814 1.732 -2.551 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.562 2.453 0.233 1.00 0.00 C ATOM 0 H ILE A 97 -1.448 5.966 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.352 3.746 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.830 2.931 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.129 3.296 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.815 4.394 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.585 0.931 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.733 1.493 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.995 1.835 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.339 2.744 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.424 2.537 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.465 1.422 -0.107 1.00 0.00 H new ATOM 1458 N THR A 98 -4.679 4.393 -3.111 1.00 0.00 N ATOM 1459 CA THR A 98 -5.989 4.939 -2.898 1.00 0.00 C ATOM 1460 C THR A 98 -6.912 3.874 -2.306 1.00 0.00 C ATOM 1461 O THR A 98 -6.970 2.740 -2.795 1.00 0.00 O ATOM 1462 CB THR A 98 -6.538 5.500 -4.231 1.00 0.00 C ATOM 1463 OG1 THR A 98 -6.494 6.932 -4.220 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.952 5.032 -4.505 1.00 0.00 C ATOM 0 H THR A 98 -4.629 3.690 -3.849 1.00 0.00 H new ATOM 0 HA THR A 98 -5.936 5.760 -2.183 1.00 0.00 H new ATOM 0 HB THR A 98 -5.902 5.119 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.842 7.277 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.297 5.450 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.971 3.944 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.608 5.365 -3.701 1.00 0.00 H new ATOM 1472 N ARG A 99 -7.578 4.221 -1.213 1.00 0.00 N ATOM 1473 CA ARG A 99 -8.490 3.310 -0.555 1.00 0.00 C ATOM 1474 C ARG A 99 -9.870 3.432 -1.173 1.00 0.00 C ATOM 1475 O ARG A 99 -10.528 4.466 -1.060 1.00 0.00 O ATOM 1476 CB ARG A 99 -8.543 3.591 0.941 1.00 0.00 C ATOM 1477 CG ARG A 99 -7.794 2.556 1.750 1.00 0.00 C ATOM 1478 CD ARG A 99 -7.335 3.104 3.085 1.00 0.00 C ATOM 1479 NE ARG A 99 -7.895 2.351 4.203 1.00 0.00 N ATOM 1480 CZ ARG A 99 -8.104 2.854 5.411 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -7.881 4.139 5.655 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -8.576 2.071 6.361 1.00 0.00 N ATOM 0 H ARG A 99 -7.499 5.134 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.131 2.290 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.121 4.577 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.583 3.619 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.436 1.690 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.930 2.209 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.247 3.073 3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.629 4.150 3.168 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.141 1.374 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.546 4.749 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.045 4.517 6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.776 1.091 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.741 2.445 7.295 1.00 0.00 H new ATOM 1496 N LEU A 100 -10.234 2.429 -1.946 1.00 0.00 N ATOM 1497 CA LEU A 100 -11.460 2.475 -2.709 1.00 0.00 C ATOM 1498 C LEU A 100 -12.544 1.616 -2.092 1.00 0.00 C ATOM 1499 O LEU A 100 -12.304 0.844 -1.161 1.00 0.00 O ATOM 1500 CB LEU A 100 -11.209 2.008 -4.136 1.00 0.00 C ATOM 1501 CG LEU A 100 -12.063 2.689 -5.203 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -11.278 3.797 -5.883 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.550 1.674 -6.222 1.00 0.00 C ATOM 0 H LEU A 100 -9.695 1.571 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.800 3.511 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.158 2.172 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.383 0.933 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.933 3.132 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.901 4.272 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.979 4.538 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.390 3.377 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.157 2.177 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.693 1.201 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.150 0.914 -5.721 1.00 0.00 H new ATOM 1515 N GLU A 101 -13.717 1.723 -2.678 1.00 0.00 N ATOM 1516 CA GLU A 101 -14.875 0.955 -2.269 1.00 0.00 C ATOM 1517 C GLU A 101 -15.117 -0.188 -3.247 1.00 0.00 C ATOM 1518 O GLU A 101 -15.110 0.012 -4.465 1.00 0.00 O ATOM 1519 CB GLU A 101 -16.098 1.870 -2.213 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.738 3.334 -2.008 1.00 0.00 C ATOM 1521 CD GLU A 101 -16.515 4.272 -2.908 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -16.900 3.859 -4.023 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -16.727 5.435 -2.511 1.00 0.00 O ATOM 0 H GLU A 101 -13.896 2.352 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.697 0.533 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.664 1.767 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.751 1.545 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.921 3.604 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.671 3.468 -2.189 1.00 0.00 H new ATOM 1530 N ASN A 102 -15.232 -1.395 -2.715 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.405 -2.582 -3.544 1.00 0.00 C ATOM 1532 C ASN A 102 -16.792 -2.613 -4.181 1.00 0.00 C ATOM 1533 O ASN A 102 -16.939 -2.389 -5.383 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.185 -3.848 -2.715 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.879 -5.069 -3.567 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.052 -5.059 -4.785 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.425 -6.129 -2.923 1.00 0.00 N ATOM 0 H ASN A 102 -15.209 -1.580 -1.712 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.662 -2.543 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.363 -3.682 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -16.075 -4.043 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.203 -6.982 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.296 -6.095 -1.912 1.00 0.00 H new ATOM 1544 N THR A 103 -17.800 -2.938 -3.386 1.00 0.00 N ATOM 1545 CA THR A 103 -19.149 -3.073 -3.897 1.00 0.00 C ATOM 1546 C THR A 103 -20.047 -1.925 -3.413 1.00 0.00 C ATOM 1547 O THR A 103 -19.749 -0.753 -3.653 1.00 0.00 O ATOM 1548 CB THR A 103 -19.737 -4.444 -3.497 1.00 0.00 C ATOM 1549 OG1 THR A 103 -18.695 -5.429 -3.486 1.00 0.00 O ATOM 1550 CG2 THR A 103 -20.831 -4.878 -4.462 1.00 0.00 C ATOM 0 H THR A 103 -17.706 -3.112 -2.385 1.00 0.00 H new ATOM 0 HA THR A 103 -19.109 -3.018 -4.985 1.00 0.00 H new ATOM 0 HB THR A 103 -20.173 -4.349 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 103 -19.069 -6.298 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 103 -21.225 -5.846 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 103 -21.634 -4.141 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.418 -4.958 -5.468 1.00 0.00 H new