USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 76:sc= 0.635 USER MOD Set 1.2: A 201 HEM CMB :methyl -30:sc= -0.29 (180deg=-1.05) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -0.307 K(o=-0.31,f=-1.5) USER MOD Set 2.2: A 20 SER OG : rot -170:sc= -0.0081 USER MOD Set 3.1: A 13 GLN : amide:sc= 0.00403 K(o=-0.3,f=-2.1) USER MOD Set 3.2: A 16 ASN : amide:sc= -0.308 K(o=-0.3,f=-2.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -179:sc= 1.05 USER MOD Single : A 8 THR OG1 : rot -126:sc= 1.98 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-0.71) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 59:sc= -0.392 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.136 X(o=-0.14,f=0.11) USER MOD Single : A 55 THR OG1 : rot 16:sc= 0.764 USER MOD Single : A 57 ASN : amide:sc= -0.328 K(o=-0.33,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.166 (180deg=-0.317) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.111 (180deg=-0.111) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.448 (180deg=-0.448) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -2.799 -6.420 -20.658 1.00 10.00 N ATOM 2 CA ALA A 3 -1.465 -6.097 -20.121 1.00 10.00 C ATOM 3 C ALA A 3 -1.652 -5.919 -18.623 1.00 10.00 C ATOM 4 O ALA A 3 -2.775 -6.160 -18.180 1.00 10.00 O ATOM 5 CB ALA A 3 -0.458 -7.215 -20.413 1.00 10.00 C ATOM 0 HA ALA A 3 -1.063 -5.197 -20.587 1.00 10.00 H new ATOM 0 HB1 ALA A 3 0.515 -6.944 -20.003 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -0.800 -8.142 -19.953 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -0.372 -7.355 -21.491 1.00 10.00 H new ATOM 13 N VAL A 4 -0.600 -5.558 -17.879 1.00 10.00 N ATOM 14 CA VAL A 4 -0.611 -5.552 -16.418 1.00 10.00 C ATOM 15 C VAL A 4 -1.085 -6.903 -15.870 1.00 10.00 C ATOM 16 O VAL A 4 -1.226 -7.882 -16.603 1.00 10.00 O ATOM 17 CB VAL A 4 -1.316 -4.293 -15.851 1.00 10.00 C ATOM 18 CG1 VAL A 4 -0.729 -3.029 -16.496 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.845 -4.245 -15.984 1.00 10.00 C ATOM 0 H VAL A 4 0.289 -5.260 -18.281 1.00 10.00 H new ATOM 0 HA VAL A 4 0.408 -5.453 -16.045 1.00 10.00 H new ATOM 0 HB VAL A 4 -1.121 -4.345 -14.780 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -1.229 -2.149 -16.093 1.00 10.00 H new ATOM 0 HG12 VAL A 4 0.338 -2.971 -16.279 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -0.878 -3.068 -17.575 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -3.219 -3.317 -15.551 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -3.120 -4.291 -17.038 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -3.283 -5.093 -15.458 1.00 10.00 H new ATOM 29 N LYS A 5 -1.286 -6.967 -14.562 1.00 10.00 N ATOM 30 CA LYS A 5 -1.993 -8.060 -13.923 1.00 10.00 C ATOM 31 C LYS A 5 -2.840 -7.439 -12.821 1.00 10.00 C ATOM 32 O LYS A 5 -2.478 -6.401 -12.265 1.00 10.00 O ATOM 33 CB LYS A 5 -1.006 -9.114 -13.392 1.00 10.00 C ATOM 34 CG LYS A 5 -1.718 -10.432 -13.032 1.00 10.00 C ATOM 35 CD LYS A 5 -0.855 -11.312 -12.115 1.00 10.00 C ATOM 36 CE LYS A 5 -1.714 -12.273 -11.270 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.166 -13.460 -12.025 1.00 10.00 N ATOM 0 H LYS A 5 -0.959 -6.253 -13.911 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.633 -8.593 -14.626 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.241 -9.307 -14.144 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.496 -8.724 -12.511 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.665 -10.211 -12.539 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.954 -10.979 -13.945 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.153 -11.887 -12.719 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.263 -10.678 -11.455 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.139 -12.598 -10.403 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.584 -11.737 -10.892 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.738 -14.068 -11.405 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.739 -13.157 -12.838 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.339 -13.992 -12.364 1.00 10.00 H new ATOM 51 N TYR A 6 -3.985 -8.052 -12.536 1.00 10.00 N ATOM 52 CA TYR A 6 -4.868 -7.631 -11.479 1.00 10.00 C ATOM 53 C TYR A 6 -4.806 -8.649 -10.346 1.00 10.00 C ATOM 54 O TYR A 6 -4.476 -9.812 -10.589 1.00 10.00 O ATOM 55 CB TYR A 6 -6.281 -7.506 -12.029 1.00 10.00 C ATOM 56 CG TYR A 6 -6.418 -6.652 -13.274 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.167 -7.208 -14.542 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.787 -5.301 -13.166 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.243 -6.403 -15.691 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.866 -4.496 -14.315 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.589 -5.047 -15.578 1.00 10.00 C ATOM 62 OH TYR A 6 -6.703 -4.284 -16.701 1.00 10.00 O ATOM 0 H TYR A 6 -4.321 -8.868 -13.048 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.564 -6.660 -11.089 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.657 -8.505 -12.250 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.921 -7.090 -11.251 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.916 -8.254 -14.632 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.011 -4.880 -12.197 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.035 -6.828 -16.662 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.139 -3.455 -14.228 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.950 -3.369 -16.451 1.00 10.00 H new ATOM 72 N TYR A 7 -5.129 -8.217 -9.127 1.00 10.00 N ATOM 73 CA TYR A 7 -5.184 -9.076 -7.955 1.00 10.00 C ATOM 74 C TYR A 7 -6.539 -8.885 -7.279 1.00 10.00 C ATOM 75 O TYR A 7 -7.078 -7.774 -7.272 1.00 10.00 O ATOM 76 CB TYR A 7 -4.021 -8.745 -7.016 1.00 10.00 C ATOM 77 CG TYR A 7 -2.672 -8.681 -7.704 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.002 -9.860 -8.079 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.133 -7.432 -8.056 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.806 -9.783 -8.816 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.943 -7.358 -8.790 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.295 -8.530 -9.203 1.00 10.00 C ATOM 83 OH TYR A 7 0.794 -8.455 -10.022 1.00 10.00 O ATOM 0 H TYR A 7 -5.363 -7.244 -8.928 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.082 -10.124 -8.236 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.218 -7.787 -6.535 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.980 -9.496 -6.227 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.405 -10.823 -7.802 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.639 -6.525 -7.759 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.279 -10.687 -9.085 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.523 -6.395 -9.039 1.00 10.00 H new ATOM 0 HH TYR A 7 1.023 -7.515 -10.177 1.00 10.00 H new ATOM 93 N THR A 8 -7.111 -9.976 -6.766 1.00 10.00 N ATOM 94 CA THR A 8 -8.368 -9.940 -6.038 1.00 10.00 C ATOM 95 C THR A 8 -8.129 -9.340 -4.654 1.00 10.00 C ATOM 96 O THR A 8 -7.017 -9.415 -4.127 1.00 10.00 O ATOM 97 CB THR A 8 -8.969 -11.352 -5.937 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.222 -12.145 -5.031 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.082 -12.014 -7.316 1.00 10.00 C ATOM 0 H THR A 8 -6.709 -10.910 -6.847 1.00 10.00 H new ATOM 0 HA THR A 8 -9.084 -9.316 -6.572 1.00 10.00 H new ATOM 0 HB THR A 8 -9.983 -11.264 -5.546 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.944 -12.974 -5.474 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.510 -13.010 -7.207 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.724 -11.411 -7.958 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.092 -12.092 -7.764 1.00 10.00 H new ATOM 107 N LEU A 9 -9.180 -8.771 -4.051 1.00 10.00 N ATOM 108 CA LEU A 9 -9.121 -8.294 -2.676 1.00 10.00 C ATOM 109 C LEU A 9 -8.557 -9.394 -1.777 1.00 10.00 C ATOM 110 O LEU A 9 -7.707 -9.120 -0.940 1.00 10.00 O ATOM 111 CB LEU A 9 -10.510 -7.844 -2.197 1.00 10.00 C ATOM 112 CG LEU A 9 -10.467 -6.506 -1.435 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.882 -6.087 -1.021 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.603 -6.584 -0.170 1.00 10.00 C ATOM 0 H LEU A 9 -10.084 -8.632 -4.502 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.461 -7.428 -2.625 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.173 -7.748 -3.056 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.935 -8.613 -1.551 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.028 -5.775 -2.114 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.838 -5.140 -0.483 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.502 -5.971 -1.910 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.313 -6.852 -0.375 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.604 -5.616 0.332 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.008 -7.341 0.501 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.582 -6.850 -0.443 1.00 10.00 H new ATOM 126 N GLU A 10 -9.008 -10.636 -1.985 1.00 10.00 N ATOM 127 CA GLU A 10 -8.524 -11.807 -1.260 1.00 10.00 C ATOM 128 C GLU A 10 -7.011 -11.980 -1.405 1.00 10.00 C ATOM 129 O GLU A 10 -6.281 -11.997 -0.414 1.00 10.00 O ATOM 130 CB GLU A 10 -9.250 -13.070 -1.734 1.00 10.00 C ATOM 131 CG GLU A 10 -9.047 -14.231 -0.747 1.00 10.00 C ATOM 132 CD GLU A 10 -9.748 -13.992 0.586 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.987 -14.153 0.610 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.032 -13.651 1.551 1.00 10.00 O ATOM 0 H GLU A 10 -9.729 -10.855 -2.672 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.739 -11.648 -0.203 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.315 -12.862 -1.841 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.881 -13.357 -2.718 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.423 -15.152 -1.192 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.980 -14.374 -0.573 1.00 10.00 H new ATOM 141 N GLU A 11 -6.529 -12.119 -2.643 1.00 10.00 N ATOM 142 CA GLU A 11 -5.103 -12.258 -2.903 1.00 10.00 C ATOM 143 C GLU A 11 -4.331 -11.151 -2.185 1.00 10.00 C ATOM 144 O GLU A 11 -3.359 -11.410 -1.484 1.00 10.00 O ATOM 145 CB GLU A 11 -4.817 -12.220 -4.412 1.00 10.00 C ATOM 146 CG GLU A 11 -4.480 -13.611 -4.959 1.00 10.00 C ATOM 147 CD GLU A 11 -5.691 -14.529 -4.923 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.676 -14.170 -5.608 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.605 -15.555 -4.216 1.00 10.00 O ATOM 0 H GLU A 11 -7.112 -12.138 -3.480 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.773 -13.224 -2.521 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.686 -11.823 -4.937 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.987 -11.541 -4.608 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.118 -13.523 -5.984 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.672 -14.049 -4.372 1.00 10.00 H new ATOM 156 N ILE A 12 -4.776 -9.908 -2.346 1.00 10.00 N ATOM 157 CA ILE A 12 -4.124 -8.774 -1.714 1.00 10.00 C ATOM 158 C ILE A 12 -4.181 -8.912 -0.180 1.00 10.00 C ATOM 159 O ILE A 12 -3.178 -8.707 0.501 1.00 10.00 O ATOM 160 CB ILE A 12 -4.753 -7.473 -2.249 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.608 -7.369 -3.782 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.108 -6.249 -1.588 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.679 -6.454 -4.382 1.00 10.00 C ATOM 0 H ILE A 12 -5.589 -9.664 -2.912 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.064 -8.743 -1.967 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.814 -7.498 -2.002 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.618 -6.985 -4.030 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.685 -8.362 -4.225 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.566 -5.341 -1.979 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.259 -6.296 -0.510 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.040 -6.239 -1.805 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.549 -6.402 -5.463 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.668 -6.853 -4.154 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.584 -5.455 -3.957 1.00 10.00 H new ATOM 175 N GLN A 13 -5.330 -9.307 0.372 1.00 10.00 N ATOM 176 CA GLN A 13 -5.533 -9.589 1.787 1.00 10.00 C ATOM 177 C GLN A 13 -4.594 -10.678 2.296 1.00 10.00 C ATOM 178 O GLN A 13 -4.143 -10.597 3.431 1.00 10.00 O ATOM 179 CB GLN A 13 -6.993 -9.983 2.046 1.00 10.00 C ATOM 180 CG GLN A 13 -7.866 -8.787 2.441 1.00 10.00 C ATOM 181 CD GLN A 13 -8.182 -8.796 3.937 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.322 -9.072 4.771 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.442 -8.545 4.286 1.00 10.00 N ATOM 0 H GLN A 13 -6.176 -9.443 -0.181 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.302 -8.677 2.337 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.404 -10.448 1.150 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.028 -10.731 2.838 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.355 -7.860 2.181 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.795 -8.809 1.871 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -10.134 -8.319 3.571 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.716 -8.579 5.268 1.00 10.00 H new ATOM 192 N LYS A 14 -4.256 -11.687 1.490 1.00 10.00 N ATOM 193 CA LYS A 14 -3.257 -12.659 1.914 1.00 10.00 C ATOM 194 C LYS A 14 -1.893 -12.001 2.197 1.00 10.00 C ATOM 195 O LYS A 14 -1.062 -12.604 2.875 1.00 10.00 O ATOM 196 CB LYS A 14 -3.148 -13.823 0.913 1.00 10.00 C ATOM 197 CG LYS A 14 -4.296 -14.827 1.090 1.00 10.00 C ATOM 198 CD LYS A 14 -4.047 -16.118 0.288 1.00 10.00 C ATOM 199 CE LYS A 14 -4.666 -17.337 0.992 1.00 10.00 C ATOM 200 NZ LYS A 14 -3.741 -17.939 1.977 1.00 10.00 N ATOM 0 H LYS A 14 -4.650 -11.847 0.563 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.595 -13.081 2.860 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.159 -13.432 -0.104 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.194 -14.332 1.048 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.408 -15.070 2.147 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.232 -14.372 0.767 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.472 -16.017 -0.711 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.975 -16.272 0.164 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.585 -17.037 1.495 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.939 -18.085 0.248 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -4.198 -18.757 2.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -2.874 -18.250 1.494 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.500 -17.234 2.703 1.00 10.00 H new ATOM 214 N HIS A 15 -1.643 -10.789 1.685 1.00 10.00 N ATOM 215 CA HIS A 15 -0.375 -10.086 1.813 1.00 10.00 C ATOM 216 C HIS A 15 -0.504 -8.951 2.843 1.00 10.00 C ATOM 217 O HIS A 15 -0.539 -7.772 2.475 1.00 10.00 O ATOM 218 CB HIS A 15 0.065 -9.572 0.428 1.00 10.00 C ATOM 219 CG HIS A 15 0.419 -10.630 -0.598 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.490 -10.583 -1.464 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.295 -11.759 -0.910 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.439 -11.676 -2.244 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.377 -12.431 -1.935 1.00 10.00 N ATOM 0 H HIS A 15 -2.340 -10.263 1.158 1.00 10.00 H new ATOM 0 HA HIS A 15 0.397 -10.764 2.178 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.736 -8.955 0.021 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.930 -8.923 0.563 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.196 -9.848 -1.506 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.217 -12.074 -0.444 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.157 -11.913 -3.015 1.00 10.00 H new ATOM 231 N ASN A 16 -0.537 -9.307 4.139 1.00 10.00 N ATOM 232 CA ASN A 16 -0.624 -8.351 5.249 1.00 10.00 C ATOM 233 C ASN A 16 -0.129 -8.913 6.584 1.00 10.00 C ATOM 234 O ASN A 16 -0.813 -8.819 7.601 1.00 10.00 O ATOM 235 CB ASN A 16 -2.054 -7.815 5.392 1.00 10.00 C ATOM 236 CG ASN A 16 -3.111 -8.896 5.628 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.787 -10.051 5.895 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.385 -8.527 5.512 1.00 10.00 N ATOM 0 H ASN A 16 -0.503 -10.279 4.445 1.00 10.00 H new ATOM 0 HA ASN A 16 0.049 -7.532 4.993 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.083 -7.108 6.221 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.313 -7.260 4.490 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.129 -9.212 5.646 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.617 -7.559 5.289 1.00 10.00 H new ATOM 245 N ASN A 17 1.099 -9.432 6.628 1.00 10.00 N ATOM 246 CA ASN A 17 1.654 -9.991 7.864 1.00 10.00 C ATOM 247 C ASN A 17 3.177 -9.904 7.846 1.00 10.00 C ATOM 248 O ASN A 17 3.872 -10.886 8.093 1.00 10.00 O ATOM 249 CB ASN A 17 1.132 -11.428 8.088 1.00 10.00 C ATOM 250 CG ASN A 17 -0.062 -11.476 9.037 1.00 10.00 C ATOM 251 OD1 ASN A 17 -1.178 -11.785 8.638 1.00 10.00 O ATOM 252 ND2 ASN A 17 0.167 -11.215 10.324 1.00 10.00 N ATOM 0 H ASN A 17 1.727 -9.477 5.826 1.00 10.00 H new ATOM 0 HA ASN A 17 1.316 -9.401 8.716 1.00 10.00 H new ATOM 0 HB2 ASN A 17 0.847 -11.861 7.129 1.00 10.00 H new ATOM 0 HB3 ASN A 17 1.936 -12.044 8.490 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.595 -11.271 10.999 1.00 10.00 H new ATOM 0 HD22 ASN A 17 1.105 -10.960 10.634 1.00 10.00 H new ATOM 259 N SER A 18 3.712 -8.718 7.541 1.00 10.00 N ATOM 260 CA SER A 18 5.146 -8.466 7.400 1.00 10.00 C ATOM 261 C SER A 18 5.657 -9.061 6.082 1.00 10.00 C ATOM 262 O SER A 18 6.212 -8.339 5.258 1.00 10.00 O ATOM 263 CB SER A 18 5.939 -8.968 8.624 1.00 10.00 C ATOM 264 OG SER A 18 7.068 -8.152 8.861 1.00 10.00 O ATOM 0 H SER A 18 3.144 -7.886 7.382 1.00 10.00 H new ATOM 0 HA SER A 18 5.308 -7.389 7.363 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.295 -8.970 9.504 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.257 -9.997 8.459 1.00 10.00 H new ATOM 0 HG SER A 18 7.556 -8.487 9.642 1.00 10.00 H new ATOM 270 N LYS A 19 5.430 -10.369 5.892 1.00 10.00 N ATOM 271 CA LYS A 19 5.835 -11.179 4.752 1.00 10.00 C ATOM 272 C LYS A 19 5.664 -10.439 3.425 1.00 10.00 C ATOM 273 O LYS A 19 6.544 -10.467 2.569 1.00 10.00 O ATOM 274 CB LYS A 19 5.009 -12.480 4.735 1.00 10.00 C ATOM 275 CG LYS A 19 5.871 -13.624 4.194 1.00 10.00 C ATOM 276 CD LYS A 19 5.019 -14.807 3.715 1.00 10.00 C ATOM 277 CE LYS A 19 5.850 -15.670 2.752 1.00 10.00 C ATOM 278 NZ LYS A 19 5.044 -16.717 2.091 1.00 10.00 N ATOM 0 H LYS A 19 4.922 -10.920 6.584 1.00 10.00 H new ATOM 0 HA LYS A 19 6.896 -11.404 4.862 1.00 10.00 H new ATOM 0 HB2 LYS A 19 4.662 -12.716 5.741 1.00 10.00 H new ATOM 0 HB3 LYS A 19 4.123 -12.353 4.113 1.00 10.00 H new ATOM 0 HG2 LYS A 19 6.482 -13.259 3.368 1.00 10.00 H new ATOM 0 HG3 LYS A 19 6.556 -13.962 4.972 1.00 10.00 H new ATOM 0 HD2 LYS A 19 4.692 -15.403 4.567 1.00 10.00 H new ATOM 0 HD3 LYS A 19 4.121 -14.445 3.215 1.00 10.00 H new ATOM 0 HE2 LYS A 19 6.301 -15.030 1.993 1.00 10.00 H new ATOM 0 HE3 LYS A 19 6.667 -16.138 3.301 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 5.650 -17.271 1.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 4.634 -17.346 2.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 4.280 -16.273 1.543 1.00 10.00 H new ATOM 292 N SER A 20 4.499 -9.818 3.263 1.00 10.00 N ATOM 293 CA SER A 20 4.161 -8.962 2.156 1.00 10.00 C ATOM 294 C SER A 20 3.175 -7.935 2.715 1.00 10.00 C ATOM 295 O SER A 20 2.215 -8.317 3.377 1.00 10.00 O ATOM 296 CB SER A 20 3.649 -9.805 0.985 1.00 10.00 C ATOM 297 OG SER A 20 2.825 -10.865 1.436 1.00 10.00 O ATOM 0 H SER A 20 3.738 -9.909 3.936 1.00 10.00 H new ATOM 0 HA SER A 20 5.009 -8.422 1.735 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.088 -9.173 0.297 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.494 -10.210 0.429 1.00 10.00 H new ATOM 0 HG SER A 20 2.642 -11.476 0.692 1.00 10.00 H new ATOM 303 N THR A 21 3.466 -6.642 2.549 1.00 10.00 N ATOM 304 CA THR A 21 2.562 -5.533 2.823 1.00 10.00 C ATOM 305 C THR A 21 2.110 -4.988 1.474 1.00 10.00 C ATOM 306 O THR A 21 2.771 -4.127 0.886 1.00 10.00 O ATOM 307 CB THR A 21 3.271 -4.483 3.689 1.00 10.00 C ATOM 308 OG1 THR A 21 3.360 -4.998 5.005 1.00 10.00 O ATOM 309 CG2 THR A 21 2.594 -3.104 3.704 1.00 10.00 C ATOM 0 H THR A 21 4.375 -6.332 2.206 1.00 10.00 H new ATOM 0 HA THR A 21 1.686 -5.846 3.391 1.00 10.00 H new ATOM 0 HB THR A 21 4.253 -4.307 3.251 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.346 -4.258 5.647 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.163 -2.426 4.341 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.558 -2.705 2.690 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.580 -3.201 4.092 1.00 10.00 H new ATOM 317 N TRP A 22 0.998 -5.536 0.983 1.00 10.00 N ATOM 318 CA TRP A 22 0.271 -4.997 -0.154 1.00 10.00 C ATOM 319 C TRP A 22 -0.929 -4.238 0.394 1.00 10.00 C ATOM 320 O TRP A 22 -1.110 -4.198 1.604 1.00 10.00 O ATOM 321 CB TRP A 22 -0.183 -6.148 -1.043 1.00 10.00 C ATOM 322 CG TRP A 22 0.883 -6.877 -1.798 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.217 -6.816 -1.588 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.707 -7.728 -2.961 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.875 -7.545 -2.553 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.990 -8.115 -3.444 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.418 -8.193 -3.669 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.149 -8.902 -4.593 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.275 -9.015 -4.798 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.005 -9.344 -5.280 1.00 10.00 C ATOM 0 H TRP A 22 0.576 -6.378 1.373 1.00 10.00 H new ATOM 0 HA TRP A 22 0.895 -4.329 -0.749 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.713 -6.869 -0.421 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.903 -5.758 -1.763 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.695 -6.276 -0.784 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.888 -7.650 -2.603 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.407 -7.913 -3.338 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.136 -9.165 -4.945 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.152 -9.397 -5.299 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.109 -9.936 -6.177 1.00 10.00 H new ATOM 341 N LEU A 23 -1.737 -3.625 -0.470 1.00 10.00 N ATOM 342 CA LEU A 23 -2.881 -2.797 -0.106 1.00 10.00 C ATOM 343 C LEU A 23 -3.461 -2.220 -1.389 1.00 10.00 C ATOM 344 O LEU A 23 -2.828 -2.347 -2.437 1.00 10.00 O ATOM 345 CB LEU A 23 -2.510 -1.696 0.900 1.00 10.00 C ATOM 346 CG LEU A 23 -1.147 -1.026 0.649 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.219 0.013 -0.466 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.682 -0.366 1.942 1.00 10.00 C ATOM 0 H LEU A 23 -1.606 -3.695 -1.479 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.627 -3.408 0.401 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.285 -0.930 0.881 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.510 -2.124 1.902 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.439 -1.792 0.333 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.236 0.461 -0.610 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.538 -0.467 -1.391 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.935 0.789 -0.195 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.283 0.113 1.779 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.411 0.383 2.251 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.585 -1.121 2.722 1.00 10.00 H new ATOM 360 N ILE A 24 -4.648 -1.611 -1.308 1.00 10.00 N ATOM 361 CA ILE A 24 -5.337 -1.023 -2.453 1.00 10.00 C ATOM 362 C ILE A 24 -5.486 0.476 -2.208 1.00 10.00 C ATOM 363 O ILE A 24 -6.165 0.883 -1.258 1.00 10.00 O ATOM 364 CB ILE A 24 -6.701 -1.698 -2.674 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.515 -3.174 -3.058 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.481 -1.013 -3.810 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.693 -4.011 -2.545 1.00 10.00 C ATOM 0 H ILE A 24 -5.161 -1.513 -0.432 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.756 -1.182 -3.361 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.256 -1.613 -1.739 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.438 -3.268 -4.141 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.582 -3.551 -2.638 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.441 -1.511 -3.944 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.648 0.034 -3.557 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.907 -1.076 -4.735 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.547 -5.054 -2.825 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.751 -3.931 -1.459 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.620 -3.643 -2.986 1.00 10.00 H new ATOM 379 N LEU A 25 -4.849 1.275 -3.071 1.00 10.00 N ATOM 380 CA LEU A 25 -4.952 2.727 -3.115 1.00 10.00 C ATOM 381 C LEU A 25 -5.550 3.081 -4.476 1.00 10.00 C ATOM 382 O LEU A 25 -4.845 3.078 -5.479 1.00 10.00 O ATOM 383 CB LEU A 25 -3.557 3.360 -2.929 1.00 10.00 C ATOM 384 CG LEU A 25 -3.058 3.671 -1.513 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.762 2.852 -0.460 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.535 3.545 -1.402 1.00 10.00 C ATOM 0 H LEU A 25 -4.222 0.906 -3.786 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.584 3.111 -2.314 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.830 2.694 -3.394 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.542 4.292 -3.494 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.312 4.713 -1.320 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.371 3.111 0.524 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.831 3.060 -0.492 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.593 1.792 -0.650 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.224 3.774 -0.383 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.235 2.528 -1.653 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.061 4.244 -2.091 1.00 10.00 H new ATOM 398 N HIS A 26 -6.852 3.371 -4.526 1.00 10.00 N ATOM 399 CA HIS A 26 -7.551 3.794 -5.742 1.00 10.00 C ATOM 400 C HIS A 26 -7.531 2.702 -6.816 1.00 10.00 C ATOM 401 O HIS A 26 -7.147 2.947 -7.965 1.00 10.00 O ATOM 402 CB HIS A 26 -7.003 5.115 -6.305 1.00 10.00 C ATOM 403 CG HIS A 26 -6.816 6.198 -5.282 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.758 7.113 -4.874 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.669 6.433 -4.577 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.182 7.881 -3.934 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.913 7.497 -3.709 1.00 10.00 N ATOM 0 H HIS A 26 -7.461 3.318 -3.709 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.587 3.968 -5.452 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.046 4.920 -6.788 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.682 5.476 -7.077 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.740 5.891 -4.675 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.673 8.698 -3.426 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.260 7.902 -3.038 1.00 10.00 H new ATOM 415 N TYR A 27 -7.965 1.499 -6.430 1.00 10.00 N ATOM 416 CA TYR A 27 -8.095 0.345 -7.314 1.00 10.00 C ATOM 417 C TYR A 27 -6.744 -0.078 -7.903 1.00 10.00 C ATOM 418 O TYR A 27 -6.689 -0.684 -8.973 1.00 10.00 O ATOM 419 CB TYR A 27 -9.145 0.633 -8.401 1.00 10.00 C ATOM 420 CG TYR A 27 -10.476 1.174 -7.904 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.093 0.624 -6.763 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.174 2.123 -8.675 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.428 0.935 -6.459 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.496 2.467 -8.343 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.124 1.873 -7.237 1.00 10.00 C ATOM 426 OH TYR A 27 -14.412 2.196 -6.938 1.00 10.00 O ATOM 0 H TYR A 27 -8.242 1.299 -5.469 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.443 -0.505 -6.727 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.724 1.349 -9.107 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.331 -0.288 -8.954 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.536 -0.040 -6.119 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.693 2.588 -9.523 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.919 0.453 -5.627 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.030 3.191 -8.941 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.739 2.862 -7.578 1.00 10.00 H new ATOM 436 N LYS A 28 -5.658 0.227 -7.189 1.00 10.00 N ATOM 437 CA LYS A 28 -4.292 -0.023 -7.604 1.00 10.00 C ATOM 438 C LYS A 28 -3.525 -0.619 -6.441 1.00 10.00 C ATOM 439 O LYS A 28 -3.607 -0.110 -5.320 1.00 10.00 O ATOM 440 CB LYS A 28 -3.659 1.284 -8.087 1.00 10.00 C ATOM 441 CG LYS A 28 -3.808 1.394 -9.604 1.00 10.00 C ATOM 442 CD LYS A 28 -4.039 2.835 -10.074 1.00 10.00 C ATOM 443 CE LYS A 28 -5.327 2.885 -10.913 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.950 4.219 -10.895 1.00 10.00 N ATOM 0 H LYS A 28 -5.717 0.671 -6.273 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.267 -0.732 -8.431 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.139 2.134 -7.601 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.605 1.313 -7.812 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.911 1.000 -10.082 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.642 0.772 -9.929 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.122 3.503 -9.216 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.190 3.179 -10.665 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.100 2.606 -11.942 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -6.036 2.150 -10.532 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.814 4.206 -11.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.191 4.476 -9.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.285 4.918 -11.283 1.00 10.00 H new ATOM 458 N VAL A 29 -2.823 -1.718 -6.728 1.00 10.00 N ATOM 459 CA VAL A 29 -2.058 -2.461 -5.751 1.00 10.00 C ATOM 460 C VAL A 29 -0.602 -2.001 -5.779 1.00 10.00 C ATOM 461 O VAL A 29 -0.010 -1.827 -6.850 1.00 10.00 O ATOM 462 CB VAL A 29 -2.204 -3.970 -5.989 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.785 -4.754 -4.740 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.656 -4.325 -6.312 1.00 10.00 C ATOM 0 H VAL A 29 -2.776 -2.115 -7.666 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.446 -2.263 -4.752 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.561 -4.235 -6.828 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.895 -5.822 -4.927 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.744 -4.532 -4.503 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.417 -4.466 -3.900 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.740 -5.399 -6.478 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.295 -4.035 -5.478 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -3.969 -3.794 -7.211 1.00 10.00 H new ATOM 474 N TYR A 30 -0.044 -1.804 -4.585 1.00 10.00 N ATOM 475 CA TYR A 30 1.301 -1.305 -4.362 1.00 10.00 C ATOM 476 C TYR A 30 1.984 -2.237 -3.372 1.00 10.00 C ATOM 477 O TYR A 30 1.529 -2.340 -2.233 1.00 10.00 O ATOM 478 CB TYR A 30 1.197 0.117 -3.800 1.00 10.00 C ATOM 479 CG TYR A 30 0.580 1.092 -4.780 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.335 1.560 -5.868 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.788 1.408 -4.700 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.748 2.414 -6.818 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.361 2.291 -5.633 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.584 2.823 -6.669 1.00 10.00 C ATOM 485 OH TYR A 30 -1.123 3.715 -7.548 1.00 10.00 O ATOM 0 H TYR A 30 -0.541 -1.997 -3.716 1.00 10.00 H new ATOM 0 HA TYR A 30 1.883 -1.275 -5.283 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.600 0.099 -2.888 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.192 0.467 -3.524 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.368 1.263 -5.975 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.398 0.973 -3.923 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.325 2.756 -7.665 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.404 2.559 -5.550 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.056 3.892 -7.304 1.00 10.00 H new ATOM 495 N ASP A 31 3.050 -2.920 -3.798 1.00 10.00 N ATOM 496 CA ASP A 31 3.857 -3.714 -2.876 1.00 10.00 C ATOM 497 C ASP A 31 4.882 -2.800 -2.230 1.00 10.00 C ATOM 498 O ASP A 31 5.761 -2.305 -2.930 1.00 10.00 O ATOM 499 CB ASP A 31 4.609 -4.842 -3.587 1.00 10.00 C ATOM 500 CG ASP A 31 5.561 -5.548 -2.621 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.329 -5.452 -1.392 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.498 -6.201 -3.120 1.00 10.00 O ATOM 0 H ASP A 31 3.370 -2.938 -4.766 1.00 10.00 H new ATOM 0 HA ASP A 31 3.186 -4.161 -2.143 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.897 -5.560 -3.994 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.171 -4.437 -4.429 1.00 10.00 H new ATOM 507 N LEU A 32 4.791 -2.583 -0.918 1.00 10.00 N ATOM 508 CA LEU A 32 5.790 -1.830 -0.184 1.00 10.00 C ATOM 509 C LEU A 32 6.412 -2.709 0.904 1.00 10.00 C ATOM 510 O LEU A 32 6.946 -2.188 1.882 1.00 10.00 O ATOM 511 CB LEU A 32 5.163 -0.555 0.391 1.00 10.00 C ATOM 512 CG LEU A 32 4.290 0.228 -0.619 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.856 0.369 -0.095 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.949 1.574 -0.928 1.00 10.00 C ATOM 0 H LEU A 32 4.022 -2.926 -0.342 1.00 10.00 H new ATOM 0 HA LEU A 32 6.592 -1.527 -0.857 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.553 -0.820 1.254 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.958 0.098 0.751 1.00 10.00 H new ATOM 0 HG LEU A 32 4.220 -0.323 -1.557 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.257 0.922 -0.818 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.424 -0.621 0.053 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.866 0.906 0.854 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.334 2.125 -1.639 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.046 2.151 -0.008 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.937 1.406 -1.357 1.00 10.00 H new ATOM 526 N THR A 33 6.365 -4.039 0.744 1.00 10.00 N ATOM 527 CA THR A 33 6.882 -4.968 1.745 1.00 10.00 C ATOM 528 C THR A 33 8.315 -4.635 2.131 1.00 10.00 C ATOM 529 O THR A 33 8.665 -4.604 3.307 1.00 10.00 O ATOM 530 CB THR A 33 6.763 -6.422 1.267 1.00 10.00 C ATOM 531 OG1 THR A 33 6.975 -7.289 2.365 1.00 10.00 O ATOM 532 CG2 THR A 33 7.737 -6.846 0.171 1.00 10.00 C ATOM 0 H THR A 33 5.969 -4.494 -0.079 1.00 10.00 H new ATOM 0 HA THR A 33 6.268 -4.857 2.639 1.00 10.00 H new ATOM 0 HB THR A 33 5.762 -6.487 0.840 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.316 -7.098 3.065 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.562 -7.890 -0.087 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.586 -6.224 -0.711 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.760 -6.727 0.528 1.00 10.00 H new ATOM 540 N LYS A 34 9.135 -4.345 1.123 1.00 10.00 N ATOM 541 CA LYS A 34 10.542 -4.058 1.308 1.00 10.00 C ATOM 542 C LYS A 34 10.741 -2.544 1.350 1.00 10.00 C ATOM 543 O LYS A 34 11.770 -2.043 0.906 1.00 10.00 O ATOM 544 CB LYS A 34 11.335 -4.791 0.210 1.00 10.00 C ATOM 545 CG LYS A 34 12.493 -5.582 0.830 1.00 10.00 C ATOM 546 CD LYS A 34 13.095 -6.576 -0.177 1.00 10.00 C ATOM 547 CE LYS A 34 14.602 -6.375 -0.370 1.00 10.00 C ATOM 548 NZ LYS A 34 14.905 -5.105 -1.063 1.00 10.00 N ATOM 0 H LYS A 34 8.832 -4.304 0.150 1.00 10.00 H new ATOM 0 HA LYS A 34 10.924 -4.429 2.259 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.675 -5.466 -0.336 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.722 -4.071 -0.511 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.266 -4.893 1.170 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.138 -6.121 1.708 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.908 -7.594 0.166 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.591 -6.466 -1.137 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.097 -6.386 0.601 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.009 -7.208 -0.944 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.934 -5.007 -1.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.454 -5.105 -2.000 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.540 -4.308 -0.503 1.00 10.00 H new ATOM 562 N PHE A 35 9.742 -1.827 1.880 1.00 10.00 N ATOM 563 CA PHE A 35 9.739 -0.381 1.983 1.00 10.00 C ATOM 564 C PHE A 35 9.071 0.079 3.279 1.00 10.00 C ATOM 565 O PHE A 35 8.707 1.242 3.392 1.00 10.00 O ATOM 566 CB PHE A 35 9.026 0.203 0.759 1.00 10.00 C ATOM 567 CG PHE A 35 9.651 1.455 0.165 1.00 10.00 C ATOM 568 CD1 PHE A 35 11.024 1.489 -0.151 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.845 2.575 -0.123 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.596 2.655 -0.689 1.00 10.00 C ATOM 571 CE2 PHE A 35 9.403 3.708 -0.742 1.00 10.00 C ATOM 572 CZ PHE A 35 10.782 3.756 -1.008 1.00 10.00 C ATOM 0 H PHE A 35 8.897 -2.257 2.256 1.00 10.00 H new ATOM 0 HA PHE A 35 10.767 -0.021 2.008 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.987 -0.563 -0.015 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.996 0.430 1.036 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.638 0.617 0.021 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.796 2.563 0.132 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.662 2.705 -0.857 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.772 4.541 -1.013 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.216 4.637 -1.457 1.00 10.00 H new ATOM 582 N LEU A 36 8.894 -0.808 4.262 1.00 10.00 N ATOM 583 CA LEU A 36 8.223 -0.460 5.507 1.00 10.00 C ATOM 584 C LEU A 36 9.070 0.547 6.288 1.00 10.00 C ATOM 585 O LEU A 36 8.625 1.661 6.552 1.00 10.00 O ATOM 586 CB LEU A 36 7.937 -1.737 6.312 1.00 10.00 C ATOM 587 CG LEU A 36 6.999 -2.701 5.567 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.023 -4.089 6.217 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.563 -2.176 5.552 1.00 10.00 C ATOM 0 H LEU A 36 9.210 -1.777 4.214 1.00 10.00 H new ATOM 0 HA LEU A 36 7.265 0.017 5.299 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.877 -2.244 6.530 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.491 -1.468 7.269 1.00 10.00 H new ATOM 0 HG LEU A 36 7.357 -2.775 4.540 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.353 -4.756 5.675 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.037 -4.488 6.185 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.697 -4.011 7.254 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.924 -2.879 5.018 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.205 -2.066 6.576 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.535 -1.208 5.051 1.00 10.00 H new ATOM 601 N GLU A 37 10.301 0.157 6.627 1.00 10.00 N ATOM 602 CA GLU A 37 11.283 1.018 7.277 1.00 10.00 C ATOM 603 C GLU A 37 11.603 2.238 6.404 1.00 10.00 C ATOM 604 O GLU A 37 11.763 3.345 6.911 1.00 10.00 O ATOM 605 CB GLU A 37 12.554 0.201 7.573 1.00 10.00 C ATOM 606 CG GLU A 37 12.571 -0.380 8.997 1.00 10.00 C ATOM 607 CD GLU A 37 13.540 0.385 9.893 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.757 0.249 9.637 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.056 1.102 10.793 1.00 10.00 O ATOM 0 H GLU A 37 10.647 -0.787 6.452 1.00 10.00 H new ATOM 0 HA GLU A 37 10.871 1.389 8.215 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.633 -0.613 6.852 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.429 0.836 7.434 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.568 -0.338 9.422 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.858 -1.431 8.960 1.00 10.00 H new ATOM 616 N GLU A 38 11.708 2.032 5.088 1.00 10.00 N ATOM 617 CA GLU A 38 12.034 3.094 4.149 1.00 10.00 C ATOM 618 C GLU A 38 10.938 4.157 4.142 1.00 10.00 C ATOM 619 O GLU A 38 11.220 5.354 4.138 1.00 10.00 O ATOM 620 CB GLU A 38 12.192 2.499 2.751 1.00 10.00 C ATOM 621 CG GLU A 38 13.420 1.578 2.634 1.00 10.00 C ATOM 622 CD GLU A 38 14.356 2.016 1.510 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.681 3.222 1.473 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.718 1.139 0.696 1.00 10.00 O ATOM 0 H GLU A 38 11.568 1.122 4.650 1.00 10.00 H new ATOM 0 HA GLU A 38 12.968 3.566 4.454 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.294 1.935 2.497 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.278 3.307 2.024 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.964 1.576 3.579 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.090 0.555 2.454 1.00 10.00 H new ATOM 631 N HIS A 39 9.680 3.717 4.095 1.00 10.00 N ATOM 632 CA HIS A 39 8.547 4.614 4.006 1.00 10.00 C ATOM 633 C HIS A 39 8.526 5.556 5.219 1.00 10.00 C ATOM 634 O HIS A 39 8.380 5.091 6.352 1.00 10.00 O ATOM 635 CB HIS A 39 7.250 3.813 3.911 1.00 10.00 C ATOM 636 CG HIS A 39 6.041 4.688 4.079 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.528 5.060 5.293 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.318 5.322 3.104 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.481 5.857 5.057 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.309 6.062 3.739 1.00 10.00 N ATOM 0 H HIS A 39 9.427 2.729 4.118 1.00 10.00 H new ATOM 0 HA HIS A 39 8.639 5.220 3.105 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.203 3.310 2.945 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.246 3.036 4.676 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.880 4.780 6.209 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.493 5.263 2.040 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.853 6.282 5.826 1.00 10.00 H new ATOM 648 N PRO A 40 8.600 6.879 5.009 1.00 10.00 N ATOM 649 CA PRO A 40 8.652 7.846 6.090 1.00 10.00 C ATOM 650 C PRO A 40 7.270 8.006 6.736 1.00 10.00 C ATOM 651 O PRO A 40 6.577 8.998 6.523 1.00 10.00 O ATOM 652 CB PRO A 40 9.191 9.130 5.453 1.00 10.00 C ATOM 653 CG PRO A 40 8.735 9.033 3.998 1.00 10.00 C ATOM 654 CD PRO A 40 8.698 7.534 3.714 1.00 10.00 C ATOM 0 HA PRO A 40 9.301 7.539 6.910 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.788 10.018 5.940 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.277 9.189 5.529 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.755 9.489 3.857 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.425 9.548 3.330 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.847 7.278 3.083 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.595 7.216 3.184 1.00 10.00 H new ATOM 662 N GLY A 41 6.879 7.019 7.547 1.00 10.00 N ATOM 663 CA GLY A 41 5.665 7.073 8.349 1.00 10.00 C ATOM 664 C GLY A 41 5.631 5.993 9.427 1.00 10.00 C ATOM 665 O GLY A 41 4.543 5.555 9.784 1.00 10.00 O ATOM 0 H GLY A 41 7.406 6.153 7.663 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.586 8.054 8.818 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.798 6.961 7.698 1.00 10.00 H new ATOM 669 N GLY A 42 6.801 5.579 9.936 1.00 10.00 N ATOM 670 CA GLY A 42 6.937 4.619 11.027 1.00 10.00 C ATOM 671 C GLY A 42 6.260 3.278 10.727 1.00 10.00 C ATOM 672 O GLY A 42 5.055 3.135 10.922 1.00 10.00 O ATOM 0 H GLY A 42 7.699 5.915 9.587 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.995 4.450 11.226 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.506 5.043 11.934 1.00 10.00 H new ATOM 676 N GLU A 43 7.036 2.292 10.262 1.00 10.00 N ATOM 677 CA GLU A 43 6.555 0.952 9.948 1.00 10.00 C ATOM 678 C GLU A 43 5.583 0.405 11.004 1.00 10.00 C ATOM 679 O GLU A 43 5.967 -0.010 12.091 1.00 10.00 O ATOM 680 CB GLU A 43 7.736 0.006 9.730 1.00 10.00 C ATOM 681 CG GLU A 43 8.719 -0.071 10.915 1.00 10.00 C ATOM 682 CD GLU A 43 8.850 -1.485 11.482 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.806 -2.436 10.669 1.00 10.00 O ATOM 684 OE2 GLU A 43 8.991 -1.595 12.719 1.00 10.00 O ATOM 0 H GLU A 43 8.035 2.411 10.092 1.00 10.00 H new ATOM 0 HA GLU A 43 5.983 1.020 9.022 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.352 -0.994 9.527 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.281 0.324 8.842 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.699 0.279 10.592 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.384 0.603 11.704 1.00 10.00 H new ATOM 691 N ALA A 44 4.297 0.429 10.665 1.00 10.00 N ATOM 692 CA ALA A 44 3.196 0.078 11.545 1.00 10.00 C ATOM 693 C ALA A 44 1.919 0.405 10.796 1.00 10.00 C ATOM 694 O ALA A 44 1.173 -0.500 10.431 1.00 10.00 O ATOM 695 CB ALA A 44 3.259 0.847 12.871 1.00 10.00 C ATOM 0 H ALA A 44 3.986 0.704 9.734 1.00 10.00 H new ATOM 0 HA ALA A 44 3.244 -0.980 11.805 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.418 0.556 13.501 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.193 0.614 13.382 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.211 1.918 12.673 1.00 10.00 H new ATOM 701 N VAL A 45 1.706 1.692 10.498 1.00 10.00 N ATOM 702 CA VAL A 45 0.542 2.123 9.737 1.00 10.00 C ATOM 703 C VAL A 45 0.471 1.326 8.433 1.00 10.00 C ATOM 704 O VAL A 45 -0.543 0.687 8.161 1.00 10.00 O ATOM 705 CB VAL A 45 0.534 3.651 9.542 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.671 4.152 8.644 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.824 4.126 9.005 1.00 10.00 C ATOM 0 H VAL A 45 2.330 2.450 10.776 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.370 1.910 10.294 1.00 10.00 H new ATOM 0 HB VAL A 45 0.702 4.085 10.528 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.608 5.236 8.548 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.630 3.882 9.086 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.585 3.695 7.658 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.806 5.208 8.875 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.023 3.649 8.045 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.609 3.859 9.713 1.00 10.00 H new ATOM 717 N LEU A 46 1.565 1.265 7.662 1.00 10.00 N ATOM 718 CA LEU A 46 1.548 0.483 6.432 1.00 10.00 C ATOM 719 C LEU A 46 1.153 -0.971 6.699 1.00 10.00 C ATOM 720 O LEU A 46 0.415 -1.563 5.921 1.00 10.00 O ATOM 721 CB LEU A 46 2.896 0.581 5.711 1.00 10.00 C ATOM 722 CG LEU A 46 3.252 2.062 5.503 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.297 2.525 6.531 1.00 10.00 C ATOM 724 CD2 LEU A 46 3.690 2.327 4.059 1.00 10.00 C ATOM 0 H LEU A 46 2.447 1.736 7.865 1.00 10.00 H new ATOM 0 HA LEU A 46 0.787 0.903 5.774 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.672 0.087 6.296 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.846 0.068 4.750 1.00 10.00 H new ATOM 0 HG LEU A 46 2.356 2.659 5.672 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.532 3.576 6.363 1.00 10.00 H new ATOM 0 HD12 LEU A 46 3.898 2.399 7.537 1.00 10.00 H new ATOM 0 HD13 LEU A 46 5.203 1.929 6.423 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.936 3.382 3.941 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.567 1.722 3.828 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.879 2.065 3.379 1.00 10.00 H new ATOM 736 N ARG A 47 1.615 -1.535 7.816 1.00 10.00 N ATOM 737 CA ARG A 47 1.419 -2.932 8.173 1.00 10.00 C ATOM 738 C ARG A 47 -0.018 -3.195 8.643 1.00 10.00 C ATOM 739 O ARG A 47 -0.514 -4.315 8.489 1.00 10.00 O ATOM 740 CB ARG A 47 2.464 -3.318 9.240 1.00 10.00 C ATOM 741 CG ARG A 47 3.252 -4.599 8.913 1.00 10.00 C ATOM 742 CD ARG A 47 2.723 -5.815 9.678 1.00 10.00 C ATOM 743 NE ARG A 47 1.307 -6.066 9.379 1.00 10.00 N ATOM 744 CZ ARG A 47 0.504 -6.919 10.027 1.00 10.00 C ATOM 745 NH1 ARG A 47 0.994 -7.680 11.013 1.00 10.00 N ATOM 746 NH2 ARG A 47 -0.779 -6.993 9.676 1.00 10.00 N ATOM 0 H ARG A 47 2.149 -1.015 8.512 1.00 10.00 H new ATOM 0 HA ARG A 47 1.564 -3.561 7.294 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.166 -2.493 9.361 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.959 -3.449 10.197 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.197 -4.794 7.842 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.304 -4.448 9.156 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.312 -6.694 9.418 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.847 -5.654 10.749 1.00 10.00 H new ATOM 0 HE ARG A 47 0.897 -5.542 8.606 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.979 -7.610 11.270 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.383 -8.330 11.507 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.137 -6.405 8.923 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.404 -7.638 10.160 1.00 10.00 H new ATOM 760 N ALA A 48 -0.664 -2.190 9.238 1.00 10.00 N ATOM 761 CA ALA A 48 -2.043 -2.254 9.700 1.00 10.00 C ATOM 762 C ALA A 48 -3.000 -2.071 8.522 1.00 10.00 C ATOM 763 O ALA A 48 -3.924 -2.858 8.344 1.00 10.00 O ATOM 764 CB ALA A 48 -2.267 -1.186 10.773 1.00 10.00 C ATOM 0 H ALA A 48 -0.226 -1.286 9.414 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.242 -3.232 10.139 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.299 -1.231 11.121 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.593 -1.365 11.611 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.069 -0.200 10.352 1.00 10.00 H new ATOM 770 N GLN A 49 -2.767 -1.038 7.710 1.00 10.00 N ATOM 771 CA GLN A 49 -3.535 -0.763 6.509 1.00 10.00 C ATOM 772 C GLN A 49 -3.257 -1.808 5.417 1.00 10.00 C ATOM 773 O GLN A 49 -4.037 -1.925 4.473 1.00 10.00 O ATOM 774 CB GLN A 49 -3.212 0.669 6.055 1.00 10.00 C ATOM 775 CG GLN A 49 -4.139 1.714 6.694 1.00 10.00 C ATOM 776 CD GLN A 49 -4.161 1.716 8.223 1.00 10.00 C ATOM 777 OE1 GLN A 49 -3.132 1.607 8.877 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.341 1.857 8.821 1.00 10.00 N ATOM 0 H GLN A 49 -2.023 -0.360 7.878 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.603 -0.836 6.716 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.178 0.902 6.309 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.295 0.730 4.970 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.837 2.703 6.350 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.153 1.546 6.332 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.189 1.947 8.261 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.398 1.876 9.839 1.00 10.00 H new ATOM 787 N ALA A 50 -2.153 -2.557 5.525 1.00 10.00 N ATOM 788 CA ALA A 50 -1.833 -3.629 4.593 1.00 10.00 C ATOM 789 C ALA A 50 -2.987 -4.622 4.423 1.00 10.00 C ATOM 790 O ALA A 50 -3.684 -4.954 5.380 1.00 10.00 O ATOM 791 CB ALA A 50 -0.592 -4.406 5.036 1.00 10.00 C ATOM 0 H ALA A 50 -1.460 -2.432 6.263 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.644 -3.139 3.638 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.383 -5.198 4.317 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.261 -3.730 5.089 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.769 -4.845 6.018 1.00 10.00 H new ATOM 797 N GLY A 51 -3.133 -5.148 3.205 1.00 10.00 N ATOM 798 CA GLY A 51 -4.155 -6.102 2.813 1.00 10.00 C ATOM 799 C GLY A 51 -5.522 -5.615 3.255 1.00 10.00 C ATOM 800 O GLY A 51 -6.255 -6.330 3.934 1.00 10.00 O ATOM 0 H GLY A 51 -2.510 -4.905 2.435 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.141 -6.237 1.732 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.945 -7.074 3.259 1.00 10.00 H new ATOM 804 N GLY A 52 -5.848 -4.388 2.858 1.00 10.00 N ATOM 805 CA GLY A 52 -7.121 -3.760 3.114 1.00 10.00 C ATOM 806 C GLY A 52 -7.235 -2.568 2.176 1.00 10.00 C ATOM 807 O GLY A 52 -6.258 -2.192 1.514 1.00 10.00 O ATOM 0 H GLY A 52 -5.207 -3.793 2.334 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.937 -4.462 2.944 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.189 -3.439 4.153 1.00 10.00 H new ATOM 811 N ASP A 53 -8.426 -1.978 2.112 1.00 10.00 N ATOM 812 CA ASP A 53 -8.623 -0.688 1.497 1.00 10.00 C ATOM 813 C ASP A 53 -7.886 0.331 2.357 1.00 10.00 C ATOM 814 O ASP A 53 -8.224 0.555 3.517 1.00 10.00 O ATOM 815 CB ASP A 53 -10.121 -0.374 1.392 1.00 10.00 C ATOM 816 CG ASP A 53 -10.830 -0.420 2.742 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.734 -1.494 3.380 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.455 0.605 3.090 1.00 10.00 O ATOM 0 H ASP A 53 -9.279 -2.391 2.490 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.230 -0.665 0.480 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.250 0.615 0.952 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.591 -1.088 0.715 1.00 10.00 H new ATOM 823 N ALA A 54 -6.847 0.940 1.792 1.00 10.00 N ATOM 824 CA ALA A 54 -6.120 1.995 2.471 1.00 10.00 C ATOM 825 C ALA A 54 -6.248 3.289 1.688 1.00 10.00 C ATOM 826 O ALA A 54 -5.521 4.232 1.968 1.00 10.00 O ATOM 827 CB ALA A 54 -4.668 1.568 2.665 1.00 10.00 C ATOM 0 H ALA A 54 -6.493 0.716 0.862 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.542 2.174 3.460 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.121 2.361 3.175 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.633 0.659 3.265 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.211 1.379 1.693 1.00 10.00 H new ATOM 833 N THR A 55 -7.163 3.353 0.716 1.00 10.00 N ATOM 834 CA THR A 55 -7.338 4.528 -0.121 1.00 10.00 C ATOM 835 C THR A 55 -7.679 5.725 0.774 1.00 10.00 C ATOM 836 O THR A 55 -6.951 6.715 0.810 1.00 10.00 O ATOM 837 CB THR A 55 -8.391 4.236 -1.208 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.096 3.044 -1.919 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.378 5.343 -2.254 1.00 10.00 C ATOM 0 H THR A 55 -7.800 2.588 0.493 1.00 10.00 H new ATOM 0 HA THR A 55 -6.421 4.782 -0.652 1.00 10.00 H new ATOM 0 HB THR A 55 -9.349 4.155 -0.694 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.431 2.523 -1.422 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.125 5.130 -3.019 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.608 6.296 -1.778 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.392 5.397 -2.715 1.00 10.00 H new ATOM 847 N ALA A 56 -8.749 5.595 1.564 1.00 10.00 N ATOM 848 CA ALA A 56 -9.179 6.634 2.488 1.00 10.00 C ATOM 849 C ALA A 56 -8.075 6.973 3.490 1.00 10.00 C ATOM 850 O ALA A 56 -7.861 8.138 3.797 1.00 10.00 O ATOM 851 CB ALA A 56 -10.452 6.189 3.214 1.00 10.00 C ATOM 0 H ALA A 56 -9.338 4.763 1.576 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.394 7.537 1.917 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.769 6.971 3.904 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.242 6.006 2.485 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.252 5.273 3.770 1.00 10.00 H new ATOM 857 N ASN A 57 -7.379 5.961 4.010 1.00 10.00 N ATOM 858 CA ASN A 57 -6.336 6.145 5.015 1.00 10.00 C ATOM 859 C ASN A 57 -5.161 6.946 4.432 1.00 10.00 C ATOM 860 O ASN A 57 -4.714 7.938 5.005 1.00 10.00 O ATOM 861 CB ASN A 57 -5.892 4.774 5.555 1.00 10.00 C ATOM 862 CG ASN A 57 -5.943 4.725 7.079 1.00 10.00 C ATOM 863 OD1 ASN A 57 -4.946 4.943 7.754 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.108 4.415 7.643 1.00 10.00 N ATOM 0 H ASN A 57 -7.525 4.987 3.743 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.731 6.723 5.851 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.535 3.995 5.144 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.878 4.561 5.218 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.183 4.355 8.658 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.926 4.237 7.060 1.00 10.00 H new ATOM 871 N PHE A 58 -4.688 6.511 3.263 1.00 10.00 N ATOM 872 CA PHE A 58 -3.635 7.133 2.471 1.00 10.00 C ATOM 873 C PHE A 58 -3.980 8.594 2.178 1.00 10.00 C ATOM 874 O PHE A 58 -3.147 9.485 2.356 1.00 10.00 O ATOM 875 CB PHE A 58 -3.466 6.318 1.181 1.00 10.00 C ATOM 876 CG PHE A 58 -2.510 6.892 0.156 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.141 6.583 0.214 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.003 7.663 -0.911 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.259 7.093 -0.755 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.120 8.196 -1.865 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.746 7.913 -1.786 1.00 10.00 C ATOM 0 H PHE A 58 -5.053 5.667 2.822 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.693 7.136 3.020 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.124 5.318 1.448 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.445 6.206 0.714 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.765 5.952 1.005 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.064 7.846 -0.998 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.793 6.854 -0.706 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.497 8.823 -2.659 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.066 8.325 -2.517 1.00 10.00 H new ATOM 891 N GLU A 59 -5.214 8.840 1.736 1.00 10.00 N ATOM 892 CA GLU A 59 -5.691 10.188 1.478 1.00 10.00 C ATOM 893 C GLU A 59 -5.822 10.996 2.774 1.00 10.00 C ATOM 894 O GLU A 59 -5.462 12.169 2.800 1.00 10.00 O ATOM 895 CB GLU A 59 -7.001 10.117 0.694 1.00 10.00 C ATOM 896 CG GLU A 59 -6.746 9.571 -0.719 1.00 10.00 C ATOM 897 CD GLU A 59 -7.102 10.594 -1.789 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.319 10.762 -2.016 1.00 10.00 O ATOM 899 OE2 GLU A 59 -6.159 11.174 -2.367 1.00 10.00 O ATOM 0 H GLU A 59 -5.903 8.111 1.549 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.959 10.721 0.870 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.711 9.476 1.216 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.451 11.108 0.633 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.697 9.291 -0.817 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.333 8.665 -0.871 1.00 10.00 H new ATOM 906 N ALA A 60 -6.306 10.380 3.855 1.00 10.00 N ATOM 907 CA ALA A 60 -6.473 11.032 5.150 1.00 10.00 C ATOM 908 C ALA A 60 -5.147 11.592 5.653 1.00 10.00 C ATOM 909 O ALA A 60 -5.083 12.750 6.060 1.00 10.00 O ATOM 910 CB ALA A 60 -7.081 10.065 6.174 1.00 10.00 C ATOM 0 H ALA A 60 -6.596 9.402 3.852 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.163 11.866 5.021 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.196 10.574 7.131 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.056 9.729 5.822 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.423 9.205 6.297 1.00 10.00 H new ATOM 916 N VAL A 61 -4.088 10.779 5.636 1.00 10.00 N ATOM 917 CA VAL A 61 -2.771 11.265 6.042 1.00 10.00 C ATOM 918 C VAL A 61 -2.230 12.290 5.033 1.00 10.00 C ATOM 919 O VAL A 61 -1.408 13.129 5.393 1.00 10.00 O ATOM 920 CB VAL A 61 -1.798 10.103 6.296 1.00 10.00 C ATOM 921 CG1 VAL A 61 -2.335 9.161 7.385 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.505 9.310 5.027 1.00 10.00 C ATOM 0 H VAL A 61 -4.116 9.800 5.351 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.875 11.787 6.993 1.00 10.00 H new ATOM 0 HB VAL A 61 -0.864 10.548 6.637 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.627 8.348 7.544 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.466 9.716 8.314 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -3.294 8.750 7.070 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.813 8.500 5.256 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.433 8.895 4.635 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -1.059 9.968 4.281 1.00 10.00 H new ATOM 932 N GLY A 62 -2.704 12.235 3.782 1.00 10.00 N ATOM 933 CA GLY A 62 -2.271 13.118 2.715 1.00 10.00 C ATOM 934 C GLY A 62 -0.952 12.625 2.128 1.00 10.00 C ATOM 935 O GLY A 62 -0.112 12.080 2.840 1.00 10.00 O ATOM 0 H GLY A 62 -3.411 11.561 3.488 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.032 13.159 1.936 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.151 14.132 3.098 1.00 10.00 H new ATOM 939 N HIS A 63 -0.775 12.795 0.815 1.00 10.00 N ATOM 940 CA HIS A 63 0.409 12.352 0.099 1.00 10.00 C ATOM 941 C HIS A 63 0.622 13.280 -1.101 1.00 10.00 C ATOM 942 O HIS A 63 -0.249 13.387 -1.963 1.00 10.00 O ATOM 943 CB HIS A 63 0.230 10.887 -0.326 1.00 10.00 C ATOM 944 CG HIS A 63 0.504 9.887 0.777 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.424 9.314 1.619 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.718 9.330 1.077 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.228 8.420 2.387 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.539 8.384 2.093 1.00 10.00 N ATOM 0 H HIS A 63 -1.464 13.251 0.217 1.00 10.00 H new ATOM 0 HA HIS A 63 1.294 12.400 0.733 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.789 10.746 -0.685 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.895 10.679 -1.164 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.421 9.527 1.654 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.658 9.579 0.608 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.243 7.809 3.143 1.00 10.00 H new ATOM 956 N SER A 64 1.762 13.978 -1.134 1.00 10.00 N ATOM 957 CA SER A 64 2.113 14.917 -2.194 1.00 10.00 C ATOM 958 C SER A 64 2.355 14.219 -3.538 1.00 10.00 C ATOM 959 O SER A 64 2.349 12.993 -3.647 1.00 10.00 O ATOM 960 CB SER A 64 3.343 15.727 -1.752 1.00 10.00 C ATOM 961 OG SER A 64 2.926 16.732 -0.852 1.00 10.00 O ATOM 0 H SER A 64 2.476 13.902 -0.410 1.00 10.00 H new ATOM 0 HA SER A 64 1.270 15.589 -2.356 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.074 15.074 -1.276 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.831 16.174 -2.618 1.00 10.00 H new ATOM 0 HG SER A 64 3.703 17.254 -0.562 1.00 10.00 H new ATOM 967 N THR A 65 2.593 15.016 -4.584 1.00 10.00 N ATOM 968 CA THR A 65 2.838 14.515 -5.924 1.00 10.00 C ATOM 969 C THR A 65 3.956 13.485 -5.930 1.00 10.00 C ATOM 970 O THR A 65 3.781 12.399 -6.470 1.00 10.00 O ATOM 971 CB THR A 65 3.156 15.679 -6.866 1.00 10.00 C ATOM 972 OG1 THR A 65 2.279 16.750 -6.578 1.00 10.00 O ATOM 973 CG2 THR A 65 3.028 15.266 -8.335 1.00 10.00 C ATOM 0 H THR A 65 2.620 16.033 -4.516 1.00 10.00 H new ATOM 0 HA THR A 65 1.936 14.016 -6.278 1.00 10.00 H new ATOM 0 HB THR A 65 4.189 15.988 -6.707 1.00 10.00 H new ATOM 0 HG1 THR A 65 2.475 17.502 -7.175 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.261 16.118 -8.974 1.00 10.00 H new ATOM 0 HG22 THR A 65 3.723 14.453 -8.546 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.009 14.933 -8.532 1.00 10.00 H new ATOM 981 N ASP A 66 5.090 13.815 -5.310 1.00 10.00 N ATOM 982 CA ASP A 66 6.227 12.912 -5.255 1.00 10.00 C ATOM 983 C ASP A 66 5.782 11.543 -4.755 1.00 10.00 C ATOM 984 O ASP A 66 6.076 10.527 -5.369 1.00 10.00 O ATOM 985 CB ASP A 66 7.328 13.499 -4.364 1.00 10.00 C ATOM 986 CG ASP A 66 8.690 13.282 -5.002 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.155 12.125 -4.959 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.225 14.278 -5.534 1.00 10.00 O ATOM 0 H ASP A 66 5.240 14.707 -4.838 1.00 10.00 H new ATOM 0 HA ASP A 66 6.637 12.790 -6.258 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.154 14.564 -4.213 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.300 13.029 -3.381 1.00 10.00 H new ATOM 993 N ALA A 67 4.979 11.520 -3.691 1.00 10.00 N ATOM 994 CA ALA A 67 4.403 10.285 -3.184 1.00 10.00 C ATOM 995 C ALA A 67 3.494 9.633 -4.232 1.00 10.00 C ATOM 996 O ALA A 67 3.669 8.448 -4.517 1.00 10.00 O ATOM 997 CB ALA A 67 3.656 10.526 -1.872 1.00 10.00 C ATOM 0 H ALA A 67 4.714 12.352 -3.164 1.00 10.00 H new ATOM 0 HA ALA A 67 5.219 9.593 -2.977 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.235 9.586 -1.515 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.347 10.920 -1.127 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.852 11.244 -2.037 1.00 10.00 H new ATOM 1003 N ARG A 68 2.527 10.358 -4.816 1.00 10.00 N ATOM 1004 CA ARG A 68 1.598 9.749 -5.766 1.00 10.00 C ATOM 1005 C ARG A 68 2.350 9.139 -6.961 1.00 10.00 C ATOM 1006 O ARG A 68 1.964 8.089 -7.479 1.00 10.00 O ATOM 1007 CB ARG A 68 0.492 10.751 -6.160 1.00 10.00 C ATOM 1008 CG ARG A 68 0.712 11.485 -7.493 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.279 12.647 -7.649 1.00 10.00 C ATOM 1010 NE ARG A 68 -0.882 12.668 -8.994 1.00 10.00 N ATOM 1011 CZ ARG A 68 -1.609 13.671 -9.516 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.835 14.781 -8.805 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -2.110 13.554 -10.751 1.00 10.00 N ATOM 0 H ARG A 68 2.373 11.352 -4.647 1.00 10.00 H new ATOM 0 HA ARG A 68 1.088 8.912 -5.288 1.00 10.00 H new ATOM 0 HB2 ARG A 68 -0.457 10.217 -6.211 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.398 11.493 -5.367 1.00 10.00 H new ATOM 0 HG2 ARG A 68 1.733 11.864 -7.540 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.593 10.787 -8.321 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.065 12.559 -6.899 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.234 13.591 -7.465 1.00 10.00 H new ATOM 0 HE ARG A 68 -0.734 11.847 -9.582 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.455 14.869 -7.862 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.387 15.539 -9.205 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -1.940 12.706 -11.292 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -2.662 14.312 -11.151 1.00 10.00 H new ATOM 1027 N GLU A 69 3.440 9.791 -7.375 1.00 10.00 N ATOM 1028 CA GLU A 69 4.271 9.380 -8.498 1.00 10.00 C ATOM 1029 C GLU A 69 5.185 8.228 -8.076 1.00 10.00 C ATOM 1030 O GLU A 69 5.403 7.275 -8.821 1.00 10.00 O ATOM 1031 CB GLU A 69 5.056 10.597 -8.991 1.00 10.00 C ATOM 1032 CG GLU A 69 4.235 11.441 -9.979 1.00 10.00 C ATOM 1033 CD GLU A 69 4.540 11.049 -11.419 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.602 11.491 -11.906 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.710 10.312 -11.996 1.00 10.00 O ATOM 0 H GLU A 69 3.774 10.642 -6.922 1.00 10.00 H new ATOM 0 HA GLU A 69 3.658 9.011 -9.321 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.345 11.213 -8.139 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.976 10.266 -9.472 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.172 11.308 -9.780 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.457 12.498 -9.832 1.00 10.00 H new ATOM 1042 N LEU A 70 5.699 8.281 -6.851 1.00 10.00 N ATOM 1043 CA LEU A 70 6.517 7.224 -6.289 1.00 10.00 C ATOM 1044 C LEU A 70 5.699 5.936 -6.295 1.00 10.00 C ATOM 1045 O LEU A 70 6.123 4.932 -6.863 1.00 10.00 O ATOM 1046 CB LEU A 70 7.006 7.654 -4.899 1.00 10.00 C ATOM 1047 CG LEU A 70 7.920 6.703 -4.107 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.403 5.505 -4.900 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.076 7.422 -3.395 1.00 10.00 C ATOM 0 H LEU A 70 5.555 9.068 -6.219 1.00 10.00 H new ATOM 0 HA LEU A 70 7.414 7.035 -6.879 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.535 8.600 -5.013 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.126 7.852 -4.287 1.00 10.00 H new ATOM 0 HG LEU A 70 7.273 6.302 -3.327 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.041 4.885 -4.270 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.546 4.921 -5.235 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.970 5.847 -5.766 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.681 6.693 -2.856 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.695 7.933 -4.132 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.673 8.151 -2.691 1.00 10.00 H new ATOM 1061 N SER A 71 4.499 5.975 -5.718 1.00 10.00 N ATOM 1062 CA SER A 71 3.573 4.851 -5.738 1.00 10.00 C ATOM 1063 C SER A 71 3.541 4.195 -7.125 1.00 10.00 C ATOM 1064 O SER A 71 3.683 2.986 -7.231 1.00 10.00 O ATOM 1065 CB SER A 71 2.161 5.320 -5.367 1.00 10.00 C ATOM 1066 OG SER A 71 2.182 6.216 -4.277 1.00 10.00 O ATOM 0 H SER A 71 4.143 6.792 -5.222 1.00 10.00 H new ATOM 0 HA SER A 71 3.918 4.119 -5.008 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.700 5.804 -6.228 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.544 4.457 -5.118 1.00 10.00 H new ATOM 0 HG SER A 71 2.490 7.095 -4.582 1.00 10.00 H new ATOM 1072 N LYS A 72 3.395 4.970 -8.205 1.00 10.00 N ATOM 1073 CA LYS A 72 3.418 4.424 -9.562 1.00 10.00 C ATOM 1074 C LYS A 72 4.682 3.599 -9.849 1.00 10.00 C ATOM 1075 O LYS A 72 4.587 2.512 -10.411 1.00 10.00 O ATOM 1076 CB LYS A 72 3.238 5.554 -10.583 1.00 10.00 C ATOM 1077 CG LYS A 72 1.766 5.957 -10.675 1.00 10.00 C ATOM 1078 CD LYS A 72 1.111 5.118 -11.778 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.418 5.133 -11.667 1.00 10.00 C ATOM 1080 NZ LYS A 72 -1.053 5.179 -12.999 1.00 10.00 N ATOM 0 H LYS A 72 3.259 5.980 -8.163 1.00 10.00 H new ATOM 0 HA LYS A 72 2.583 3.730 -9.653 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.840 6.415 -10.293 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.595 5.230 -11.561 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.265 5.790 -9.721 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.676 7.020 -10.901 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.409 5.502 -12.753 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.471 4.091 -11.716 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.754 4.245 -11.132 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.734 5.996 -11.081 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -2.087 5.188 -12.890 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.750 6.039 -13.499 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.770 4.342 -13.548 1.00 10.00 H new ATOM 1094 N THR A 73 5.856 4.064 -9.423 1.00 10.00 N ATOM 1095 CA THR A 73 7.101 3.297 -9.509 1.00 10.00 C ATOM 1096 C THR A 73 7.023 1.985 -8.708 1.00 10.00 C ATOM 1097 O THR A 73 7.749 1.038 -8.999 1.00 10.00 O ATOM 1098 CB THR A 73 8.285 4.209 -9.121 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.581 5.044 -10.221 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.563 3.478 -8.699 1.00 10.00 C ATOM 0 H THR A 73 5.972 4.988 -9.006 1.00 10.00 H new ATOM 0 HA THR A 73 7.267 2.973 -10.536 1.00 10.00 H new ATOM 0 HB THR A 73 7.962 4.765 -8.241 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.331 5.633 -9.993 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.333 4.207 -8.447 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.355 2.854 -7.829 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.912 2.851 -9.520 1.00 10.00 H new ATOM 1108 N PHE A 74 6.126 1.918 -7.723 1.00 10.00 N ATOM 1109 CA PHE A 74 5.858 0.748 -6.891 1.00 10.00 C ATOM 1110 C PHE A 74 4.648 -0.047 -7.369 1.00 10.00 C ATOM 1111 O PHE A 74 4.290 -1.046 -6.742 1.00 10.00 O ATOM 1112 CB PHE A 74 5.592 1.205 -5.453 1.00 10.00 C ATOM 1113 CG PHE A 74 6.840 1.365 -4.637 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.896 2.170 -5.087 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.988 0.598 -3.478 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.098 2.206 -4.371 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.206 0.589 -2.798 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.264 1.395 -3.237 1.00 10.00 C ATOM 0 H PHE A 74 5.541 2.715 -7.474 1.00 10.00 H new ATOM 0 HA PHE A 74 6.734 0.102 -6.953 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.057 2.154 -5.475 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.938 0.482 -4.965 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.782 2.761 -5.984 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.159 0.012 -3.109 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.898 2.858 -4.691 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.334 -0.041 -1.930 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.204 1.393 -2.705 1.00 10.00 H new ATOM 1128 N ILE A 75 3.965 0.404 -8.420 1.00 10.00 N ATOM 1129 CA ILE A 75 2.773 -0.283 -8.880 1.00 10.00 C ATOM 1130 C ILE A 75 3.134 -1.730 -9.235 1.00 10.00 C ATOM 1131 O ILE A 75 4.109 -1.973 -9.944 1.00 10.00 O ATOM 1132 CB ILE A 75 2.147 0.502 -10.038 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.624 0.398 -9.963 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.717 0.076 -11.396 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.001 0.944 -11.236 1.00 10.00 C ATOM 0 H ILE A 75 4.217 1.232 -8.959 1.00 10.00 H new ATOM 0 HA ILE A 75 2.016 -0.332 -8.098 1.00 10.00 H new ATOM 0 HB ILE A 75 2.412 1.555 -9.938 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.329 -0.642 -9.821 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.256 0.954 -9.101 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.245 0.658 -12.187 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.793 0.250 -11.410 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.519 -0.984 -11.558 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.086 0.865 -11.171 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.280 1.990 -11.360 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.354 0.369 -12.091 1.00 10.00 H new ATOM 1147 N ILE A 76 2.361 -2.693 -8.736 1.00 10.00 N ATOM 1148 CA ILE A 76 2.552 -4.105 -9.060 1.00 10.00 C ATOM 1149 C ILE A 76 1.431 -4.622 -9.960 1.00 10.00 C ATOM 1150 O ILE A 76 1.484 -5.757 -10.438 1.00 10.00 O ATOM 1151 CB ILE A 76 2.666 -4.925 -7.772 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.527 -4.586 -6.801 1.00 10.00 C ATOM 1153 CG2 ILE A 76 4.033 -4.679 -7.118 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.386 -5.639 -5.708 1.00 10.00 C ATOM 0 H ILE A 76 1.586 -2.517 -8.097 1.00 10.00 H new ATOM 0 HA ILE A 76 3.482 -4.214 -9.618 1.00 10.00 H new ATOM 0 HB ILE A 76 2.581 -5.982 -8.023 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.713 -3.613 -6.347 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.590 -4.506 -7.353 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.109 -5.265 -6.202 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.824 -4.977 -7.806 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.138 -3.620 -6.881 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.569 -5.364 -5.041 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.174 -6.607 -6.161 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.314 -5.700 -5.140 1.00 10.00 H new ATOM 1166 N GLY A 77 0.403 -3.800 -10.176 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.737 -4.128 -10.998 1.00 10.00 C ATOM 1168 C GLY A 77 -1.925 -3.311 -10.528 1.00 10.00 C ATOM 1169 O GLY A 77 -1.759 -2.212 -9.997 1.00 10.00 O ATOM 0 H GLY A 77 0.350 -2.866 -9.769 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.522 -3.915 -12.045 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -0.959 -5.193 -10.929 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.115 -3.873 -10.709 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.374 -3.207 -10.452 1.00 10.00 C ATOM 1175 C GLU A 78 -5.308 -4.102 -9.640 1.00 10.00 C ATOM 1176 O GLU A 78 -5.030 -5.271 -9.370 1.00 10.00 O ATOM 1177 CB GLU A 78 -4.992 -2.754 -11.785 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.763 -1.260 -12.029 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.320 -0.800 -13.369 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -4.857 -1.342 -14.394 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.199 0.088 -13.336 1.00 10.00 O ATOM 0 H GLU A 78 -3.227 -4.829 -11.047 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.204 -2.318 -9.845 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.557 -3.328 -12.603 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.062 -2.964 -11.782 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.231 -0.688 -11.228 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.695 -1.048 -11.990 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.427 -3.523 -9.226 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.468 -4.240 -8.518 1.00 10.00 C ATOM 1190 C LEU A 79 -8.351 -4.979 -9.530 1.00 10.00 C ATOM 1191 O LEU A 79 -8.835 -4.381 -10.501 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.270 -3.222 -7.713 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.512 -3.838 -7.057 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.160 -4.516 -5.730 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.596 -2.771 -6.904 1.00 10.00 C ATOM 0 H LEU A 79 -6.635 -2.536 -9.375 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.049 -4.983 -7.839 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.632 -2.790 -6.942 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.576 -2.406 -8.368 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.907 -4.623 -7.701 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.061 -4.943 -5.289 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.433 -5.308 -5.908 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.736 -3.780 -5.047 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.477 -3.212 -6.438 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.222 -1.960 -6.279 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.863 -2.380 -7.886 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.593 -6.269 -9.264 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.468 -7.124 -10.061 1.00 10.00 C ATOM 1209 C HIS A 80 -10.795 -6.427 -10.362 1.00 10.00 C ATOM 1210 O HIS A 80 -11.373 -5.783 -9.488 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.693 -8.454 -9.330 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.004 -9.624 -10.223 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.128 -10.410 -10.172 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.176 -10.161 -11.172 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.011 -11.353 -11.119 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.836 -11.241 -11.759 1.00 10.00 N ATOM 0 H HIS A 80 -8.174 -6.754 -8.470 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.987 -7.326 -11.018 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.801 -8.687 -8.748 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.512 -8.328 -8.622 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.186 -9.810 -11.422 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.760 -12.100 -11.337 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.495 -11.827 -12.521 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.305 -6.544 -11.593 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.568 -5.933 -11.941 1.00 10.00 C ATOM 1226 C PRO A 81 -13.739 -6.595 -11.204 1.00 10.00 C ATOM 1227 O PRO A 81 -14.812 -6.005 -11.162 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.664 -6.026 -13.463 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.747 -7.190 -13.845 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.742 -7.290 -12.706 1.00 10.00 C ATOM 0 HA PRO A 81 -12.622 -4.890 -11.628 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.690 -6.209 -13.784 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.343 -5.098 -13.937 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.311 -8.116 -13.956 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.248 -7.004 -14.796 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.572 -8.330 -12.429 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.778 -6.877 -13.002 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.542 -7.777 -10.600 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.601 -8.447 -9.845 1.00 10.00 C ATOM 1240 C ASP A 82 -14.910 -7.718 -8.528 1.00 10.00 C ATOM 1241 O ASP A 82 -16.021 -7.801 -8.013 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.181 -9.896 -9.578 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.350 -10.793 -9.203 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.293 -10.871 -10.018 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.233 -11.447 -8.145 1.00 10.00 O ATOM 0 H ASP A 82 -12.658 -8.285 -10.622 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.516 -8.432 -10.437 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.693 -10.297 -10.466 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.445 -9.913 -8.775 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.911 -7.017 -7.975 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.056 -6.218 -6.760 1.00 10.00 C ATOM 1252 C ASP A 83 -14.930 -4.983 -7.019 1.00 10.00 C ATOM 1253 O ASP A 83 -15.751 -4.616 -6.179 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.652 -5.834 -6.270 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.639 -4.807 -5.139 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.048 -3.652 -5.382 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.126 -5.176 -4.064 1.00 10.00 O ATOM 0 H ASP A 83 -12.970 -6.991 -8.367 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.561 -6.795 -5.986 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.139 -6.735 -5.933 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.082 -5.438 -7.111 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.702 -4.347 -8.174 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.241 -3.039 -8.529 1.00 10.00 C ATOM 1264 C ARG A 84 -16.772 -2.978 -8.503 1.00 10.00 C ATOM 1265 O ARG A 84 -17.278 -1.858 -8.266 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.741 -2.633 -9.928 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.110 -1.238 -9.957 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.663 -1.267 -9.449 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.780 -2.135 -10.257 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.209 -1.791 -11.422 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.530 -0.624 -11.996 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.325 -2.611 -12.006 1.00 10.00 N ATOM 0 H ARG A 84 -14.117 -4.746 -8.908 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.884 -2.344 -7.770 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.009 -3.364 -10.272 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.575 -2.663 -10.629 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.132 -0.848 -10.975 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.699 -0.558 -9.342 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.264 -0.253 -9.449 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.654 -1.612 -8.415 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.589 -3.071 -9.900 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.204 -0.004 -11.548 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.100 -0.356 -12.881 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.085 -3.499 -11.565 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.892 -2.347 -12.891 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.959 7.228 2.876 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.343 9.961 4.490 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.032 7.713 0.155 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.465 4.507 1.310 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.979 6.624 5.734 1.00 10.00 C HETATM 1292 NA HEM A 201 4.406 8.594 2.401 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.778 9.636 3.199 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.731 10.426 2.458 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.986 9.766 1.273 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.115 8.613 1.228 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.988 10.169 0.215 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.263 11.770 2.909 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.150 12.809 3.144 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.143 13.946 2.126 1.00 10.00 C HETATM 1301 O1A HEM A 201 4.826 15.077 2.552 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.429 13.670 0.940 1.00 10.00 O HETATM 1303 NB HEM A 201 3.203 6.284 1.077 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.118 6.655 0.113 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.984 5.728 -0.989 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.962 4.877 -0.656 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.483 5.195 0.659 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.833 5.662 -2.231 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.378 3.813 -1.556 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.381 4.080 -2.410 1.00 10.00 C HETATM 1311 NC HEM A 201 1.499 5.821 3.423 1.00 10.00 N HETATM 1312 C1C HEM A 201 1.037 4.824 2.597 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.038 4.148 3.282 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.125 4.721 4.523 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.832 5.791 4.624 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.926 3.069 2.726 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.236 4.452 5.509 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.135 5.420 5.791 1.00 10.00 C HETATM 1319 ND HEM A 201 2.664 8.169 4.761 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.835 7.720 5.754 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.041 8.563 6.905 1.00 10.00 C HETATM 1322 C3D HEM A 201 3.000 9.488 6.570 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.379 9.242 5.195 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.402 8.405 8.264 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.623 10.463 7.543 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.687 11.582 7.988 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.874 11.888 9.469 1.00 10.00 C HETATM 1328 O1D HEM A 201 3.902 12.520 9.790 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.004 11.452 10.253 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.357 9.279 -0.295 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.823 10.690 0.684 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.508 10.829 -0.508 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.203 6.659 -2.472 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.235 5.286 -3.061 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.677 4.993 -2.060 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.245 2.409 3.533 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.376 2.493 1.982 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.801 3.522 2.260 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 2.077 8.786 9.030 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.200 7.350 8.451 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.467 8.964 8.294 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.982 3.290 -3.046 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.969 5.087 -2.469 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.938 5.228 6.503 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.058 6.393 5.307 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 5.263 13.229 4.143 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.184 12.305 3.118 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.956 12.151 2.159 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.831 11.639 3.830 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.653 11.294 7.800 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.880 12.479 7.400 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.507 10.905 7.083 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.962 9.916 8.423 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.782 10.823 4.970 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.706 7.843 -0.679 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.984 3.689 0.794 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.400 6.407 6.620 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.779 2.800 -1.509 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.313 3.478 5.993 1.00 10.00 H new