USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 27:sc= 0.068 USER MOD Single : A 8 GLN : amide:sc= -0.874 K(o=-0.87,f=-5.2!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -19:sc= 0.61 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 90:sc= 0.176 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -133:sc= -3.59! (180deg=-5.36!) USER MOD Single : A 41 GLN : amide:sc= -1.04 K(o=-1,f=-2.9!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= 0.219 (180deg=-0.165) USER MOD Single : A 46 GLN : amide:sc= 0.364 K(o=0.36,f=-1.8) USER MOD Single : A 47 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.33) USER MOD Single : A 49 SER OG : rot -82:sc= 1.28 USER MOD Single : A 51 CYS SG : rot 8:sc= -0.449 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.196 USER MOD Single : A 59 SER OG : rot 127:sc= -1.35! USER MOD Single : A 66 SER OG : rot -168:sc= -2.83! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 154:sc= 0.799 USER MOD Single : A 77 GLN : amide:sc= -0.072 K(o=-0.072,f=-0.67) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.234) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 1.42 (180deg=1.08) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.720 4.203 1.184 1.00 0.00 N ATOM 32 CA SER A 7 13.376 3.319 0.056 1.00 0.00 C ATOM 33 C SER A 7 13.609 1.837 0.387 1.00 0.00 C ATOM 34 O SER A 7 12.837 0.982 -0.037 1.00 0.00 O ATOM 35 CB SER A 7 14.132 3.723 -1.214 1.00 0.00 C ATOM 36 OG SER A 7 13.868 5.078 -1.553 1.00 0.00 O ATOM 0 HA SER A 7 12.309 3.442 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.203 3.584 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.838 3.074 -2.039 1.00 0.00 H new ATOM 0 HG SER A 7 13.634 5.578 -0.743 1.00 0.00 H new ATOM 42 N GLN A 8 14.658 1.561 1.166 1.00 0.00 N ATOM 43 CA GLN A 8 15.005 0.210 1.635 1.00 0.00 C ATOM 44 C GLN A 8 15.461 -0.715 0.501 1.00 0.00 C ATOM 45 O GLN A 8 16.636 -1.091 0.439 1.00 0.00 O ATOM 46 CB GLN A 8 13.834 -0.425 2.394 1.00 0.00 C ATOM 47 CG GLN A 8 13.460 0.307 3.674 1.00 0.00 C ATOM 48 CD GLN A 8 14.485 0.135 4.782 1.00 0.00 C ATOM 49 OE1 GLN A 8 15.676 -0.052 4.530 1.00 0.00 O ATOM 50 NE2 GLN A 8 14.025 0.206 6.020 1.00 0.00 N ATOM 0 H GLN A 8 15.303 2.279 1.496 1.00 0.00 H new ATOM 0 HA GLN A 8 15.850 0.330 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.964 -0.458 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.088 -1.456 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.343 1.369 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.493 -0.055 4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.031 0.362 6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.664 0.105 6.808 1.00 0.00 H new ATOM 59 N LEU A 9 14.527 -1.062 -0.380 1.00 0.00 N ATOM 60 CA LEU A 9 14.742 -2.022 -1.464 1.00 0.00 C ATOM 61 C LEU A 9 14.873 -3.447 -0.924 1.00 0.00 C ATOM 62 O LEU A 9 13.883 -4.173 -0.815 1.00 0.00 O ATOM 63 CB LEU A 9 15.964 -1.654 -2.312 1.00 0.00 C ATOM 64 CG LEU A 9 15.852 -0.335 -3.080 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.127 -0.064 -3.861 1.00 0.00 C ATOM 66 CD2 LEU A 9 14.647 -0.358 -4.010 1.00 0.00 C ATOM 0 H LEU A 9 13.582 -0.678 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 9 13.864 -1.979 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 9 16.836 -1.603 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.146 -2.457 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 9 15.713 0.472 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.030 0.878 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.969 -0.002 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.298 -0.873 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.584 0.588 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.754 -1.174 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.739 -0.504 -3.425 1.00 0.00 H new ATOM 78 N GLY A 10 16.088 -3.839 -0.570 1.00 0.00 N ATOM 79 CA GLY A 10 16.324 -5.187 -0.103 1.00 0.00 C ATOM 80 C GLY A 10 17.686 -5.707 -0.520 1.00 0.00 C ATOM 81 O GLY A 10 17.871 -6.129 -1.663 1.00 0.00 O ATOM 0 H GLY A 10 16.916 -3.245 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.244 -5.212 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.550 -5.846 -0.495 1.00 0.00 H new ATOM 85 N PRO A 11 18.673 -5.664 0.390 1.00 0.00 N ATOM 86 CA PRO A 11 20.027 -6.163 0.125 1.00 0.00 C ATOM 87 C PRO A 11 20.082 -7.689 0.094 1.00 0.00 C ATOM 88 O PRO A 11 21.033 -8.282 -0.423 1.00 0.00 O ATOM 89 CB PRO A 11 20.857 -5.621 1.304 1.00 0.00 C ATOM 90 CG PRO A 11 19.967 -4.654 2.015 1.00 0.00 C ATOM 91 CD PRO A 11 18.564 -5.101 1.739 1.00 0.00 C ATOM 0 HA PRO A 11 20.393 -5.840 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 11 21.168 -6.428 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.765 -5.131 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.172 -4.651 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.130 -3.638 1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 11 18.224 -5.842 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.858 -4.271 1.777 1.00 0.00 H new ATOM 99 N ILE A 12 19.054 -8.317 0.646 1.00 0.00 N ATOM 100 CA ILE A 12 18.985 -9.765 0.714 1.00 0.00 C ATOM 101 C ILE A 12 18.073 -10.283 -0.406 1.00 0.00 C ATOM 102 O ILE A 12 17.125 -9.607 -0.803 1.00 0.00 O ATOM 103 CB ILE A 12 18.479 -10.224 2.109 1.00 0.00 C ATOM 104 CG1 ILE A 12 19.007 -11.616 2.456 1.00 0.00 C ATOM 105 CG2 ILE A 12 16.964 -10.196 2.180 1.00 0.00 C ATOM 106 CD1 ILE A 12 20.496 -11.650 2.708 1.00 0.00 C ATOM 0 H ILE A 12 18.251 -7.839 1.056 1.00 0.00 H new ATOM 0 HA ILE A 12 19.983 -10.182 0.575 1.00 0.00 H new ATOM 0 HB ILE A 12 18.866 -9.520 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 12 18.488 -11.982 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 12 18.769 -12.300 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.640 -10.522 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 12 16.610 -9.181 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 12 16.552 -10.864 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.801 -12.668 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.024 -11.314 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.739 -10.992 3.542 1.00 0.00 H new ATOM 118 N HIS A 13 18.382 -11.464 -0.928 1.00 0.00 N ATOM 119 CA HIS A 13 17.687 -11.999 -2.103 1.00 0.00 C ATOM 120 C HIS A 13 16.445 -12.871 -1.803 1.00 0.00 C ATOM 121 O HIS A 13 15.664 -13.102 -2.729 1.00 0.00 O ATOM 122 CB HIS A 13 18.662 -12.774 -2.989 1.00 0.00 C ATOM 123 CG HIS A 13 19.505 -11.886 -3.848 1.00 0.00 C ATOM 124 ND1 HIS A 13 19.239 -11.666 -5.179 1.00 0.00 N ATOM 125 CD2 HIS A 13 20.612 -11.161 -3.564 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.139 -10.840 -5.675 1.00 0.00 C ATOM 127 NE2 HIS A 13 20.986 -10.517 -4.717 1.00 0.00 N ATOM 0 H HIS A 13 19.111 -12.074 -0.558 1.00 0.00 H new ATOM 0 HA HIS A 13 17.302 -11.120 -2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.311 -13.383 -2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.101 -13.459 -3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 13 21.109 -11.100 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 13 20.176 -10.487 -6.695 1.00 0.00 H new ATOM 0 HE2 HIS A 13 21.786 -9.892 -4.816 1.00 0.00 H new ATOM 136 N PRO A 14 16.258 -13.432 -0.570 1.00 0.00 N ATOM 137 CA PRO A 14 15.002 -14.076 -0.154 1.00 0.00 C ATOM 138 C PRO A 14 13.733 -13.401 -0.696 1.00 0.00 C ATOM 139 O PRO A 14 13.774 -12.257 -1.136 1.00 0.00 O ATOM 140 CB PRO A 14 15.034 -13.945 1.372 1.00 0.00 C ATOM 141 CG PRO A 14 16.460 -13.722 1.753 1.00 0.00 C ATOM 142 CD PRO A 14 17.263 -13.593 0.483 1.00 0.00 C ATOM 0 HA PRO A 14 14.951 -15.096 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.411 -13.114 1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.643 -14.845 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.557 -12.821 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.829 -14.552 2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.936 -12.737 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.880 -14.475 0.312 1.00 0.00 H new ATOM 150 N PRO A 15 12.587 -14.114 -0.657 1.00 0.00 N ATOM 151 CA PRO A 15 11.285 -13.606 -1.134 1.00 0.00 C ATOM 152 C PRO A 15 10.993 -12.151 -0.729 1.00 0.00 C ATOM 153 O PRO A 15 11.596 -11.612 0.208 1.00 0.00 O ATOM 154 CB PRO A 15 10.299 -14.555 -0.453 1.00 0.00 C ATOM 155 CG PRO A 15 11.027 -15.847 -0.385 1.00 0.00 C ATOM 156 CD PRO A 15 12.471 -15.496 -0.148 1.00 0.00 C ATOM 0 HA PRO A 15 11.236 -13.586 -2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 15 10.025 -14.199 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.376 -14.648 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.640 -16.471 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.909 -16.411 -1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.729 -15.556 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 15 13.140 -16.175 -0.678 1.00 0.00 H new ATOM 164 N PRO A 16 10.031 -11.506 -1.427 1.00 0.00 N ATOM 165 CA PRO A 16 9.714 -10.073 -1.259 1.00 0.00 C ATOM 166 C PRO A 16 9.260 -9.684 0.149 1.00 0.00 C ATOM 167 O PRO A 16 8.903 -8.529 0.393 1.00 0.00 O ATOM 168 CB PRO A 16 8.579 -9.829 -2.252 1.00 0.00 C ATOM 169 CG PRO A 16 8.030 -11.170 -2.564 1.00 0.00 C ATOM 170 CD PRO A 16 9.175 -12.123 -2.461 1.00 0.00 C ATOM 0 HA PRO A 16 10.607 -9.471 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.814 -9.182 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.945 -9.336 -3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.237 -11.438 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.596 -11.190 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.845 -13.120 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.700 -12.226 -3.410 1.00 0.00 H new ATOM 178 N ARG A 17 9.274 -10.646 1.065 1.00 0.00 N ATOM 179 CA ARG A 17 9.026 -10.386 2.479 1.00 0.00 C ATOM 180 C ARG A 17 10.060 -9.395 3.004 1.00 0.00 C ATOM 181 O ARG A 17 9.868 -8.759 4.040 1.00 0.00 O ATOM 182 CB ARG A 17 9.109 -11.691 3.280 1.00 0.00 C ATOM 183 CG ARG A 17 10.518 -12.258 3.357 1.00 0.00 C ATOM 184 CD ARG A 17 10.566 -13.570 4.122 1.00 0.00 C ATOM 185 NE ARG A 17 11.909 -13.857 4.619 1.00 0.00 N ATOM 186 CZ ARG A 17 12.368 -15.078 4.892 1.00 0.00 C ATOM 187 NH1 ARG A 17 11.586 -16.141 4.728 1.00 0.00 N ATOM 188 NH2 ARG A 17 13.609 -15.229 5.342 1.00 0.00 N ATOM 0 H ARG A 17 9.457 -11.626 0.849 1.00 0.00 H new ATOM 0 HA ARG A 17 8.027 -9.966 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.740 -11.514 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.451 -12.431 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.901 -12.413 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.174 -11.533 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.869 -13.529 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.237 -14.382 3.473 1.00 0.00 H new ATOM 0 HE ARG A 17 12.539 -13.069 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.630 -16.024 4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.942 -17.073 4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.205 -14.413 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.965 -16.161 5.553 1.00 0.00 H new ATOM 202 N THR A 18 11.169 -9.285 2.281 1.00 0.00 N ATOM 203 CA THR A 18 12.219 -8.350 2.629 1.00 0.00 C ATOM 204 C THR A 18 12.993 -7.881 1.390 1.00 0.00 C ATOM 205 O THR A 18 13.645 -6.837 1.426 1.00 0.00 O ATOM 206 CB THR A 18 13.178 -8.969 3.662 1.00 0.00 C ATOM 207 OG1 THR A 18 14.217 -8.039 4.000 1.00 0.00 O ATOM 208 CG2 THR A 18 13.785 -10.261 3.135 1.00 0.00 C ATOM 0 H THR A 18 11.360 -9.838 1.446 1.00 0.00 H new ATOM 0 HA THR A 18 11.744 -7.475 3.073 1.00 0.00 H new ATOM 0 HB THR A 18 12.604 -9.200 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.818 -8.445 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.459 -10.678 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.990 -10.976 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.341 -10.055 2.221 1.00 0.00 H new ATOM 216 N SER A 19 12.911 -8.641 0.294 1.00 0.00 N ATOM 217 CA SER A 19 13.557 -8.254 -0.965 1.00 0.00 C ATOM 218 C SER A 19 12.726 -7.229 -1.709 1.00 0.00 C ATOM 219 O SER A 19 13.118 -6.742 -2.768 1.00 0.00 O ATOM 220 CB SER A 19 13.793 -9.478 -1.852 1.00 0.00 C ATOM 221 OG SER A 19 14.398 -9.120 -3.087 1.00 0.00 O ATOM 0 H SER A 19 12.405 -9.526 0.252 1.00 0.00 H new ATOM 0 HA SER A 19 14.520 -7.807 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.429 -10.191 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.844 -9.978 -2.043 1.00 0.00 H new ATOM 0 HG SER A 19 14.265 -8.163 -3.251 1.00 0.00 H new ATOM 227 N MET A 20 11.580 -6.907 -1.151 1.00 0.00 N ATOM 228 CA MET A 20 10.719 -5.898 -1.722 1.00 0.00 C ATOM 229 C MET A 20 10.237 -4.969 -0.646 1.00 0.00 C ATOM 230 O MET A 20 9.079 -4.553 -0.636 1.00 0.00 O ATOM 231 CB MET A 20 9.543 -6.536 -2.438 1.00 0.00 C ATOM 232 CG MET A 20 9.912 -7.088 -3.790 1.00 0.00 C ATOM 233 SD MET A 20 9.938 -5.818 -5.071 1.00 0.00 S ATOM 234 CE MET A 20 10.367 -6.798 -6.508 1.00 0.00 C ATOM 0 H MET A 20 11.222 -7.333 -0.296 1.00 0.00 H new ATOM 0 HA MET A 20 11.290 -5.326 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.140 -7.339 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.751 -5.796 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.893 -7.560 -3.731 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.200 -7.865 -4.068 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.422 -6.153 -7.385 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.334 -7.276 -6.347 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.607 -7.563 -6.667 1.00 0.00 H new ATOM 244 N THR A 21 11.133 -4.648 0.265 1.00 0.00 N ATOM 245 CA THR A 21 10.826 -3.676 1.273 1.00 0.00 C ATOM 246 C THR A 21 10.964 -2.310 0.645 1.00 0.00 C ATOM 247 O THR A 21 12.052 -1.900 0.283 1.00 0.00 O ATOM 248 CB THR A 21 11.789 -3.773 2.472 1.00 0.00 C ATOM 249 OG1 THR A 21 11.834 -5.120 2.965 1.00 0.00 O ATOM 250 CG2 THR A 21 11.357 -2.828 3.585 1.00 0.00 C ATOM 0 H THR A 21 12.070 -5.047 0.322 1.00 0.00 H new ATOM 0 HA THR A 21 9.816 -3.854 1.643 1.00 0.00 H new ATOM 0 HB THR A 21 12.785 -3.484 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.541 -5.615 2.501 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.050 -2.911 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.359 -1.803 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.353 -3.092 3.917 1.00 0.00 H new ATOM 258 N GLU A 22 9.871 -1.613 0.503 1.00 0.00 N ATOM 259 CA GLU A 22 9.922 -0.298 -0.078 1.00 0.00 C ATOM 260 C GLU A 22 9.535 0.702 0.979 1.00 0.00 C ATOM 261 O GLU A 22 8.424 0.654 1.499 1.00 0.00 O ATOM 262 CB GLU A 22 8.964 -0.209 -1.264 1.00 0.00 C ATOM 263 CG GLU A 22 9.232 0.958 -2.201 1.00 0.00 C ATOM 264 CD GLU A 22 10.185 0.600 -3.325 1.00 0.00 C ATOM 265 OE1 GLU A 22 9.782 -0.179 -4.221 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.322 1.106 -3.338 1.00 0.00 O ATOM 0 H GLU A 22 8.941 -1.929 0.778 1.00 0.00 H new ATOM 0 HA GLU A 22 10.929 -0.088 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.022 -1.137 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.944 -0.130 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.289 1.302 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.646 1.789 -1.630 1.00 0.00 H new ATOM 273 N GLU A 23 10.444 1.584 1.328 1.00 0.00 N ATOM 274 CA GLU A 23 10.105 2.625 2.261 1.00 0.00 C ATOM 275 C GLU A 23 9.816 3.889 1.487 1.00 0.00 C ATOM 276 O GLU A 23 10.724 4.570 1.003 1.00 0.00 O ATOM 277 CB GLU A 23 11.215 2.832 3.286 1.00 0.00 C ATOM 278 CG GLU A 23 10.809 3.720 4.445 1.00 0.00 C ATOM 279 CD GLU A 23 11.782 3.640 5.599 1.00 0.00 C ATOM 280 OE1 GLU A 23 11.898 2.555 6.208 1.00 0.00 O ATOM 281 OE2 GLU A 23 12.424 4.659 5.915 1.00 0.00 O ATOM 0 H GLU A 23 11.405 1.600 0.986 1.00 0.00 H new ATOM 0 HA GLU A 23 9.217 2.338 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.527 1.862 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.081 3.270 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.740 4.752 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.816 3.432 4.790 1.00 0.00 H new ATOM 288 N TYR A 24 8.542 4.193 1.391 1.00 0.00 N ATOM 289 CA TYR A 24 8.063 5.219 0.499 1.00 0.00 C ATOM 290 C TYR A 24 8.032 6.565 1.193 1.00 0.00 C ATOM 291 O TYR A 24 7.309 6.760 2.169 1.00 0.00 O ATOM 292 CB TYR A 24 6.667 4.841 0.008 1.00 0.00 C ATOM 293 CG TYR A 24 6.583 4.616 -1.482 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.402 5.679 -2.355 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.686 3.339 -2.017 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.324 5.475 -3.719 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.607 3.126 -3.378 1.00 0.00 C ATOM 298 CZ TYR A 24 6.427 4.197 -4.226 1.00 0.00 C ATOM 299 OH TYR A 24 6.343 3.985 -5.581 1.00 0.00 O ATOM 0 H TYR A 24 7.809 3.734 1.931 1.00 0.00 H new ATOM 0 HA TYR A 24 8.741 5.298 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.345 3.935 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.969 5.630 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.321 6.682 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.831 2.497 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.183 6.313 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.686 2.125 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 24 6.437 3.028 -5.769 1.00 0.00 H new ATOM 309 N ARG A 25 8.842 7.480 0.686 1.00 0.00 N ATOM 310 CA ARG A 25 8.899 8.831 1.206 1.00 0.00 C ATOM 311 C ARG A 25 7.747 9.634 0.625 1.00 0.00 C ATOM 312 O ARG A 25 7.826 10.142 -0.496 1.00 0.00 O ATOM 313 CB ARG A 25 10.238 9.474 0.841 1.00 0.00 C ATOM 314 CG ARG A 25 11.441 8.628 1.227 1.00 0.00 C ATOM 315 CD ARG A 25 12.723 9.184 0.630 1.00 0.00 C ATOM 316 NE ARG A 25 12.646 9.276 -0.826 1.00 0.00 N ATOM 317 CZ ARG A 25 13.439 10.045 -1.567 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.434 10.719 -1.005 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.251 10.124 -2.876 1.00 0.00 N ATOM 0 H ARG A 25 9.475 7.306 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 25 8.813 8.813 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.263 9.659 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.313 10.444 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.529 8.592 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.293 7.604 0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.920 10.172 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.561 8.546 0.910 1.00 0.00 H new ATOM 0 HE ARG A 25 11.940 8.716 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.594 10.649 -0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.039 11.307 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.498 9.595 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.859 10.714 -3.444 1.00 0.00 H new ATOM 333 N VAL A 26 6.671 9.714 1.383 1.00 0.00 N ATOM 334 CA VAL A 26 5.444 10.320 0.907 1.00 0.00 C ATOM 335 C VAL A 26 5.039 11.509 1.769 1.00 0.00 C ATOM 336 O VAL A 26 4.932 11.401 2.992 1.00 0.00 O ATOM 337 CB VAL A 26 4.298 9.278 0.859 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.361 8.344 2.055 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.942 9.961 0.809 1.00 0.00 C ATOM 0 H VAL A 26 6.623 9.363 2.340 1.00 0.00 H new ATOM 0 HA VAL A 26 5.630 10.683 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 26 4.427 8.691 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.546 7.623 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.314 7.815 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.268 8.923 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.156 9.207 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.814 10.580 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.882 10.587 -0.082 1.00 0.00 H new ATOM 349 N PRO A 27 4.816 12.663 1.122 1.00 0.00 N ATOM 350 CA PRO A 27 4.351 13.879 1.790 1.00 0.00 C ATOM 351 C PRO A 27 3.117 13.605 2.638 1.00 0.00 C ATOM 352 O PRO A 27 2.188 12.923 2.206 1.00 0.00 O ATOM 353 CB PRO A 27 4.007 14.807 0.625 1.00 0.00 C ATOM 354 CG PRO A 27 4.889 14.355 -0.480 1.00 0.00 C ATOM 355 CD PRO A 27 5.001 12.866 -0.322 1.00 0.00 C ATOM 0 HA PRO A 27 5.092 14.296 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.955 14.728 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.192 15.850 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.467 14.616 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.868 14.831 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.242 12.342 -0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.970 12.498 -0.659 1.00 0.00 H new ATOM 363 N ASP A 28 3.121 14.154 3.846 1.00 0.00 N ATOM 364 CA ASP A 28 2.112 13.834 4.850 1.00 0.00 C ATOM 365 C ASP A 28 0.704 14.195 4.371 1.00 0.00 C ATOM 366 O ASP A 28 -0.271 13.528 4.728 1.00 0.00 O ATOM 367 CB ASP A 28 2.445 14.529 6.180 1.00 0.00 C ATOM 368 CG ASP A 28 2.231 16.029 6.149 1.00 0.00 C ATOM 369 OD1 ASP A 28 3.180 16.759 5.789 1.00 0.00 O ATOM 370 OD2 ASP A 28 1.129 16.485 6.502 1.00 0.00 O ATOM 0 H ASP A 28 3.819 14.830 4.157 1.00 0.00 H new ATOM 0 HA ASP A 28 2.126 12.756 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.829 14.098 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.484 14.324 6.438 1.00 0.00 H new ATOM 375 N GLY A 29 0.601 15.226 3.539 1.00 0.00 N ATOM 376 CA GLY A 29 -0.679 15.587 2.957 1.00 0.00 C ATOM 377 C GLY A 29 -1.115 14.595 1.895 1.00 0.00 C ATOM 378 O GLY A 29 -2.307 14.323 1.722 1.00 0.00 O ATOM 0 H GLY A 29 1.382 15.819 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.434 15.635 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.611 16.583 2.518 1.00 0.00 H new ATOM 382 N MET A 30 -0.140 14.007 1.214 1.00 0.00 N ATOM 383 CA MET A 30 -0.429 13.036 0.171 1.00 0.00 C ATOM 384 C MET A 30 -0.780 11.699 0.809 1.00 0.00 C ATOM 385 O MET A 30 -1.331 10.816 0.160 1.00 0.00 O ATOM 386 CB MET A 30 0.757 12.878 -0.788 1.00 0.00 C ATOM 387 CG MET A 30 1.096 14.143 -1.565 1.00 0.00 C ATOM 388 SD MET A 30 -0.288 14.771 -2.537 1.00 0.00 S ATOM 389 CE MET A 30 -0.546 13.421 -3.680 1.00 0.00 C ATOM 0 H MET A 30 0.853 14.185 1.365 1.00 0.00 H new ATOM 0 HA MET A 30 -1.277 13.394 -0.413 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.633 12.568 -0.219 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.536 12.078 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.421 14.914 -0.867 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.936 13.940 -2.229 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.644 13.815 -4.692 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.304 12.740 -3.637 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.455 12.884 -3.410 1.00 0.00 H new ATOM 399 N VAL A 31 -0.464 11.565 2.092 1.00 0.00 N ATOM 400 CA VAL A 31 -0.910 10.421 2.871 1.00 0.00 C ATOM 401 C VAL A 31 -2.379 10.589 3.219 1.00 0.00 C ATOM 402 O VAL A 31 -3.141 9.625 3.236 1.00 0.00 O ATOM 403 CB VAL A 31 -0.076 10.236 4.152 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.628 9.104 5.008 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.368 9.969 3.789 1.00 0.00 C ATOM 0 H VAL A 31 0.100 12.236 2.613 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.773 9.525 2.265 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.134 11.154 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.019 8.996 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.656 9.330 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.605 8.174 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.954 9.839 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.430 9.064 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.762 10.812 3.221 1.00 0.00 H new ATOM 415 N GLY A 32 -2.778 11.827 3.470 1.00 0.00 N ATOM 416 CA GLY A 32 -4.186 12.125 3.621 1.00 0.00 C ATOM 417 C GLY A 32 -4.960 11.755 2.371 1.00 0.00 C ATOM 418 O GLY A 32 -6.147 11.433 2.430 1.00 0.00 O ATOM 0 H GLY A 32 -2.154 12.628 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.587 11.579 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.316 13.187 3.832 1.00 0.00 H new ATOM 422 N LEU A 33 -4.279 11.811 1.233 1.00 0.00 N ATOM 423 CA LEU A 33 -4.883 11.434 -0.039 1.00 0.00 C ATOM 424 C LEU A 33 -4.717 9.940 -0.357 1.00 0.00 C ATOM 425 O LEU A 33 -5.551 9.370 -1.055 1.00 0.00 O ATOM 426 CB LEU A 33 -4.294 12.281 -1.166 1.00 0.00 C ATOM 427 CG LEU A 33 -4.490 13.787 -0.998 1.00 0.00 C ATOM 428 CD1 LEU A 33 -3.757 14.538 -2.091 1.00 0.00 C ATOM 429 CD2 LEU A 33 -5.969 14.141 -1.006 1.00 0.00 C ATOM 0 H LEU A 33 -3.307 12.114 1.165 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.953 11.622 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.227 12.073 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.745 11.972 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.075 14.083 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.906 15.610 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.692 14.310 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.145 14.235 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.086 15.218 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.412 13.832 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.471 13.627 -0.186 1.00 0.00 H new ATOM 441 N ILE A 34 -3.657 9.303 0.153 1.00 0.00 N ATOM 442 CA ILE A 34 -3.419 7.879 -0.129 1.00 0.00 C ATOM 443 C ILE A 34 -4.479 7.034 0.569 1.00 0.00 C ATOM 444 O ILE A 34 -4.831 5.940 0.122 1.00 0.00 O ATOM 445 CB ILE A 34 -1.996 7.403 0.300 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.696 6.010 -0.265 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.850 7.369 1.812 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.609 5.975 -1.772 1.00 0.00 C ATOM 0 H ILE A 34 -2.959 9.741 0.754 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.483 7.752 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.284 8.122 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.755 5.652 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.473 5.319 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.847 7.033 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.015 8.368 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.584 6.682 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.394 4.958 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.557 6.302 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.812 6.640 -2.106 1.00 0.00 H new ATOM 460 N ILE A 35 -4.987 7.562 1.671 1.00 0.00 N ATOM 461 CA ILE A 35 -6.076 6.934 2.387 1.00 0.00 C ATOM 462 C ILE A 35 -7.415 7.308 1.762 1.00 0.00 C ATOM 463 O ILE A 35 -8.440 6.688 2.055 1.00 0.00 O ATOM 464 CB ILE A 35 -6.069 7.313 3.877 1.00 0.00 C ATOM 465 CG1 ILE A 35 -6.004 8.830 4.055 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.910 6.629 4.581 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.990 9.277 5.502 1.00 0.00 C ATOM 0 H ILE A 35 -4.656 8.432 2.089 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.935 5.856 2.312 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.000 6.970 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.109 9.206 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.860 9.282 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.912 6.903 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.014 5.548 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.971 6.944 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.943 10.365 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.897 8.932 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.119 8.856 6.005 1.00 0.00 H new ATOM 479 N GLY A 36 -7.383 8.344 0.921 1.00 0.00 N ATOM 480 CA GLY A 36 -8.545 8.759 0.147 1.00 0.00 C ATOM 481 C GLY A 36 -9.743 9.133 0.995 1.00 0.00 C ATOM 482 O GLY A 36 -9.904 10.285 1.394 1.00 0.00 O ATOM 0 H GLY A 36 -6.552 8.914 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.271 9.612 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.828 7.951 -0.528 1.00 0.00 H new ATOM 486 N ARG A 37 -10.571 8.138 1.278 1.00 0.00 N ATOM 487 CA ARG A 37 -11.802 8.320 2.039 1.00 0.00 C ATOM 488 C ARG A 37 -11.519 8.521 3.530 1.00 0.00 C ATOM 489 O ARG A 37 -12.433 8.508 4.358 1.00 0.00 O ATOM 490 CB ARG A 37 -12.706 7.108 1.818 1.00 0.00 C ATOM 491 CG ARG A 37 -12.043 5.786 2.174 1.00 0.00 C ATOM 492 CD ARG A 37 -12.549 4.654 1.291 1.00 0.00 C ATOM 493 NE ARG A 37 -13.986 4.429 1.438 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.842 4.372 0.415 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.415 4.543 -0.832 1.00 0.00 N ATOM 496 NH2 ARG A 37 -16.127 4.139 0.643 1.00 0.00 N ATOM 0 H ARG A 37 -10.408 7.175 0.985 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.303 9.222 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.610 7.225 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.016 7.081 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.962 5.879 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.239 5.549 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.325 4.882 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.014 3.737 1.539 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.358 4.308 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.427 4.719 -1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.076 4.498 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.459 4.004 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.783 4.095 -0.136 1.00 0.00 H new ATOM 510 N GLY A 38 -10.249 8.698 3.860 1.00 0.00 N ATOM 511 CA GLY A 38 -9.872 9.006 5.221 1.00 0.00 C ATOM 512 C GLY A 38 -9.185 7.850 5.920 1.00 0.00 C ATOM 513 O GLY A 38 -8.964 7.894 7.131 1.00 0.00 O ATOM 0 H GLY A 38 -9.470 8.633 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.208 9.870 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.762 9.287 5.784 1.00 0.00 H new ATOM 517 N GLY A 39 -8.847 6.811 5.166 1.00 0.00 N ATOM 518 CA GLY A 39 -8.089 5.710 5.732 1.00 0.00 C ATOM 519 C GLY A 39 -8.409 4.378 5.088 1.00 0.00 C ATOM 520 O GLY A 39 -7.516 3.567 4.843 1.00 0.00 O ATOM 0 H GLY A 39 -9.082 6.711 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.024 5.914 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.292 5.648 6.801 1.00 0.00 H new ATOM 524 N GLU A 40 -9.679 4.164 4.795 1.00 0.00 N ATOM 525 CA GLU A 40 -10.160 2.866 4.333 1.00 0.00 C ATOM 526 C GLU A 40 -9.573 2.460 2.977 1.00 0.00 C ATOM 527 O GLU A 40 -9.415 1.270 2.708 1.00 0.00 O ATOM 528 CB GLU A 40 -11.684 2.887 4.265 1.00 0.00 C ATOM 529 CG GLU A 40 -12.323 1.529 4.046 1.00 0.00 C ATOM 530 CD GLU A 40 -13.833 1.603 4.087 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.392 1.660 5.198 1.00 0.00 O ATOM 532 OE2 GLU A 40 -14.463 1.624 3.012 1.00 0.00 O ATOM 0 H GLU A 40 -10.405 4.877 4.868 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.825 2.118 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.071 3.311 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.990 3.553 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.005 1.129 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.973 0.835 4.810 1.00 0.00 H new ATOM 539 N GLN A 41 -9.233 3.435 2.131 1.00 0.00 N ATOM 540 CA GLN A 41 -8.752 3.128 0.780 1.00 0.00 C ATOM 541 C GLN A 41 -7.486 2.285 0.823 1.00 0.00 C ATOM 542 O GLN A 41 -7.416 1.233 0.189 1.00 0.00 O ATOM 543 CB GLN A 41 -8.489 4.398 -0.027 1.00 0.00 C ATOM 544 CG GLN A 41 -8.060 4.117 -1.457 1.00 0.00 C ATOM 545 CD GLN A 41 -7.887 5.374 -2.283 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.575 6.373 -2.071 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.969 5.329 -3.231 1.00 0.00 N ATOM 0 H GLN A 41 -9.280 4.430 2.352 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.542 2.560 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.392 5.008 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.715 4.983 0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.121 3.564 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.802 3.476 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.422 4.480 -3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.807 6.144 -3.823 1.00 0.00 H new ATOM 556 N ILE A 42 -6.490 2.736 1.577 1.00 0.00 N ATOM 557 CA ILE A 42 -5.240 2.005 1.660 1.00 0.00 C ATOM 558 C ILE A 42 -5.473 0.634 2.286 1.00 0.00 C ATOM 559 O ILE A 42 -4.893 -0.354 1.843 1.00 0.00 O ATOM 560 CB ILE A 42 -4.144 2.780 2.437 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.798 2.059 2.328 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.523 2.979 3.899 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.295 1.928 0.905 1.00 0.00 C ATOM 0 H ILE A 42 -6.526 3.592 2.131 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.873 1.880 0.641 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.055 3.766 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.057 2.598 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.891 1.065 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.730 3.526 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.452 3.546 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.659 2.008 4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.337 1.407 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.016 1.362 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.169 2.920 0.471 1.00 0.00 H new ATOM 575 N ASN A 43 -6.364 0.572 3.278 1.00 0.00 N ATOM 576 CA ASN A 43 -6.684 -0.689 3.945 1.00 0.00 C ATOM 577 C ASN A 43 -7.269 -1.675 2.946 1.00 0.00 C ATOM 578 O ASN A 43 -6.895 -2.845 2.931 1.00 0.00 O ATOM 579 CB ASN A 43 -7.674 -0.477 5.094 1.00 0.00 C ATOM 580 CG ASN A 43 -7.853 -1.722 5.945 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.934 -2.527 6.095 1.00 0.00 O ATOM 582 ND2 ASN A 43 -9.033 -1.882 6.523 1.00 0.00 N ATOM 0 H ASN A 43 -6.875 1.379 3.636 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.759 -1.091 4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.325 0.342 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.640 -0.177 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.204 -2.694 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.771 -1.193 6.375 1.00 0.00 H new ATOM 589 N LYS A 44 -8.178 -1.190 2.102 1.00 0.00 N ATOM 590 CA LYS A 44 -8.771 -2.020 1.058 1.00 0.00 C ATOM 591 C LYS A 44 -7.685 -2.659 0.207 1.00 0.00 C ATOM 592 O LYS A 44 -7.647 -3.876 0.049 1.00 0.00 O ATOM 593 CB LYS A 44 -9.690 -1.202 0.144 1.00 0.00 C ATOM 594 CG LYS A 44 -10.923 -0.641 0.828 1.00 0.00 C ATOM 595 CD LYS A 44 -11.901 -0.064 -0.184 1.00 0.00 C ATOM 596 CE LYS A 44 -13.114 0.550 0.495 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.844 -0.431 1.344 1.00 0.00 N ATOM 0 H LYS A 44 -8.519 -0.229 2.121 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.359 -2.791 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.118 -0.376 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.006 -1.831 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.412 -1.427 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.628 0.134 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.398 0.693 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.225 -0.850 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.796 1.393 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.790 0.945 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.394 0.076 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.487 -0.993 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.162 -1.063 1.809 1.00 0.00 H new ATOM 611 N ILE A 45 -6.794 -1.826 -0.310 1.00 0.00 N ATOM 612 CA ILE A 45 -5.783 -2.269 -1.259 1.00 0.00 C ATOM 613 C ILE A 45 -4.716 -3.145 -0.597 1.00 0.00 C ATOM 614 O ILE A 45 -4.329 -4.174 -1.153 1.00 0.00 O ATOM 615 CB ILE A 45 -5.128 -1.061 -1.985 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.026 -0.557 -3.128 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.750 -1.425 -2.528 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.383 -0.050 -2.694 1.00 0.00 C ATOM 0 H ILE A 45 -6.751 -0.832 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.293 -2.882 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.010 -0.263 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.506 0.244 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.168 -1.367 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.317 -0.560 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.103 -1.728 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.844 -2.247 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.943 0.283 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.929 -0.852 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.256 0.784 -2.004 1.00 0.00 H new ATOM 630 N GLN A 46 -4.249 -2.764 0.590 1.00 0.00 N ATOM 631 CA GLN A 46 -3.198 -3.533 1.256 1.00 0.00 C ATOM 632 C GLN A 46 -3.736 -4.864 1.777 1.00 0.00 C ATOM 633 O GLN A 46 -3.008 -5.853 1.843 1.00 0.00 O ATOM 634 CB GLN A 46 -2.517 -2.719 2.374 1.00 0.00 C ATOM 635 CG GLN A 46 -3.427 -2.237 3.496 1.00 0.00 C ATOM 636 CD GLN A 46 -3.344 -3.102 4.741 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.080 -4.076 4.893 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.440 -2.752 5.650 1.00 0.00 N ATOM 0 H GLN A 46 -4.573 -1.944 1.103 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.433 -3.755 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.726 -3.329 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.037 -1.850 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.163 -1.211 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.457 -2.221 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.846 -1.938 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.340 -3.297 6.506 1.00 0.00 H new ATOM 647 N GLN A 47 -5.017 -4.897 2.116 1.00 0.00 N ATOM 648 CA GLN A 47 -5.648 -6.123 2.587 1.00 0.00 C ATOM 649 C GLN A 47 -6.034 -7.006 1.399 1.00 0.00 C ATOM 650 O GLN A 47 -6.006 -8.236 1.482 1.00 0.00 O ATOM 651 CB GLN A 47 -6.882 -5.779 3.423 1.00 0.00 C ATOM 652 CG GLN A 47 -7.447 -6.943 4.216 1.00 0.00 C ATOM 653 CD GLN A 47 -6.455 -7.502 5.218 1.00 0.00 C ATOM 654 OE1 GLN A 47 -5.684 -8.415 4.911 1.00 0.00 O ATOM 655 NE2 GLN A 47 -6.467 -6.961 6.426 1.00 0.00 N ATOM 0 H GLN A 47 -5.640 -4.090 2.074 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.943 -6.674 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.626 -4.975 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.658 -5.395 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.345 -6.618 4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.749 -7.734 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.120 -6.207 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.823 -7.298 7.142 1.00 0.00 H new ATOM 664 N ASP A 48 -6.380 -6.360 0.295 1.00 0.00 N ATOM 665 CA ASP A 48 -6.775 -7.051 -0.929 1.00 0.00 C ATOM 666 C ASP A 48 -5.578 -7.709 -1.599 1.00 0.00 C ATOM 667 O ASP A 48 -5.638 -8.872 -1.998 1.00 0.00 O ATOM 668 CB ASP A 48 -7.424 -6.060 -1.896 1.00 0.00 C ATOM 669 CG ASP A 48 -7.751 -6.670 -3.243 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.831 -7.283 -3.377 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.946 -6.515 -4.182 1.00 0.00 O ATOM 0 H ASP A 48 -6.396 -5.343 0.220 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.490 -7.830 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.339 -5.671 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.755 -5.212 -2.041 1.00 0.00 H new ATOM 676 N SER A 49 -4.495 -6.955 -1.715 1.00 0.00 N ATOM 677 CA SER A 49 -3.291 -7.434 -2.376 1.00 0.00 C ATOM 678 C SER A 49 -2.631 -8.555 -1.578 1.00 0.00 C ATOM 679 O SER A 49 -2.118 -9.523 -2.142 1.00 0.00 O ATOM 680 CB SER A 49 -2.300 -6.285 -2.556 1.00 0.00 C ATOM 681 OG SER A 49 -2.068 -5.614 -1.326 1.00 0.00 O ATOM 0 H SER A 49 -4.426 -6.002 -1.357 1.00 0.00 H new ATOM 0 HA SER A 49 -3.578 -7.827 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.358 -6.670 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.686 -5.579 -3.292 1.00 0.00 H new ATOM 0 HG SER A 49 -2.791 -4.973 -1.162 1.00 0.00 H new ATOM 687 N GLY A 50 -2.662 -8.413 -0.257 1.00 0.00 N ATOM 688 CA GLY A 50 -1.960 -9.334 0.612 1.00 0.00 C ATOM 689 C GLY A 50 -0.621 -8.772 1.034 1.00 0.00 C ATOM 690 O GLY A 50 0.199 -9.462 1.639 1.00 0.00 O ATOM 0 H GLY A 50 -3.165 -7.670 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.566 -9.540 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.813 -10.284 0.098 1.00 0.00 H new ATOM 694 N CYS A 51 -0.398 -7.512 0.690 1.00 0.00 N ATOM 695 CA CYS A 51 0.836 -6.826 1.019 1.00 0.00 C ATOM 696 C CYS A 51 0.766 -6.218 2.419 1.00 0.00 C ATOM 697 O CYS A 51 -0.284 -5.752 2.864 1.00 0.00 O ATOM 698 CB CYS A 51 1.112 -5.740 -0.022 1.00 0.00 C ATOM 699 SG CYS A 51 2.690 -4.884 0.183 1.00 0.00 S ATOM 0 H CYS A 51 -1.068 -6.940 0.176 1.00 0.00 H new ATOM 0 HA CYS A 51 1.652 -7.549 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.085 -6.191 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.308 -5.005 0.017 1.00 0.00 H new ATOM 0 HG CYS A 51 3.389 -5.477 1.105 1.00 0.00 H new ATOM 705 N LYS A 52 1.899 -6.228 3.101 1.00 0.00 N ATOM 706 CA LYS A 52 2.007 -5.696 4.446 1.00 0.00 C ATOM 707 C LYS A 52 2.331 -4.214 4.383 1.00 0.00 C ATOM 708 O LYS A 52 3.444 -3.791 4.693 1.00 0.00 O ATOM 709 CB LYS A 52 3.106 -6.436 5.214 1.00 0.00 C ATOM 710 CG LYS A 52 3.133 -7.934 4.956 1.00 0.00 C ATOM 711 CD LYS A 52 1.812 -8.583 5.314 1.00 0.00 C ATOM 712 CE LYS A 52 1.778 -10.037 4.880 1.00 0.00 C ATOM 713 NZ LYS A 52 0.477 -10.679 5.192 1.00 0.00 N ATOM 0 H LYS A 52 2.772 -6.607 2.735 1.00 0.00 H new ATOM 0 HA LYS A 52 1.058 -5.836 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.073 -6.013 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.970 -6.263 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.358 -8.119 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.933 -8.390 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.652 -8.518 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.996 -8.040 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.966 -10.100 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.580 -10.583 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.496 -11.671 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.309 -10.642 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.286 -10.175 4.698 1.00 0.00 H new ATOM 727 N VAL A 53 1.360 -3.434 3.957 1.00 0.00 N ATOM 728 CA VAL A 53 1.544 -2.004 3.811 1.00 0.00 C ATOM 729 C VAL A 53 1.254 -1.296 5.127 1.00 0.00 C ATOM 730 O VAL A 53 0.106 -1.248 5.574 1.00 0.00 O ATOM 731 CB VAL A 53 0.620 -1.441 2.722 1.00 0.00 C ATOM 732 CG1 VAL A 53 0.858 0.046 2.506 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.804 -2.205 1.426 1.00 0.00 C ATOM 0 H VAL A 53 0.430 -3.768 3.704 1.00 0.00 H new ATOM 0 HA VAL A 53 2.581 -1.829 3.523 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.409 -1.566 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.188 0.413 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.666 0.584 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.892 0.208 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.142 -1.794 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.839 -2.115 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.564 -3.256 1.586 1.00 0.00 H new ATOM 743 N GLN A 54 2.291 -0.761 5.749 1.00 0.00 N ATOM 744 CA GLN A 54 2.133 -0.071 7.015 1.00 0.00 C ATOM 745 C GLN A 54 2.461 1.412 6.864 1.00 0.00 C ATOM 746 O GLN A 54 3.554 1.774 6.416 1.00 0.00 O ATOM 747 CB GLN A 54 3.029 -0.695 8.087 1.00 0.00 C ATOM 748 CG GLN A 54 2.757 -0.162 9.482 1.00 0.00 C ATOM 749 CD GLN A 54 1.493 -0.740 10.090 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.536 -1.740 10.804 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.354 -0.139 9.792 1.00 0.00 N ATOM 0 H GLN A 54 3.248 -0.792 5.398 1.00 0.00 H new ATOM 0 HA GLN A 54 1.093 -0.172 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.888 -1.776 8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.072 -0.509 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.605 -0.393 10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.673 0.924 9.442 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.355 0.689 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.526 -0.503 10.158 1.00 0.00 H new ATOM 760 N ILE A 55 1.504 2.259 7.219 1.00 0.00 N ATOM 761 CA ILE A 55 1.714 3.700 7.229 1.00 0.00 C ATOM 762 C ILE A 55 2.462 4.096 8.498 1.00 0.00 C ATOM 763 O ILE A 55 2.028 3.770 9.603 1.00 0.00 O ATOM 764 CB ILE A 55 0.373 4.476 7.176 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.497 4.014 5.999 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.625 5.972 7.081 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.127 4.236 4.637 1.00 0.00 C ATOM 0 H ILE A 55 0.569 1.970 7.506 1.00 0.00 H new ATOM 0 HA ILE A 55 2.295 3.957 6.343 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.166 4.264 8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.714 2.952 6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.451 4.540 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.328 6.500 7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.190 6.302 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.194 6.188 6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.554 3.882 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.318 5.299 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.066 3.687 4.573 1.00 0.00 H new ATOM 779 N SER A 56 3.591 4.773 8.346 1.00 0.00 N ATOM 780 CA SER A 56 4.357 5.220 9.498 1.00 0.00 C ATOM 781 C SER A 56 4.344 6.743 9.610 1.00 0.00 C ATOM 782 O SER A 56 4.934 7.446 8.784 1.00 0.00 O ATOM 783 CB SER A 56 5.800 4.711 9.422 1.00 0.00 C ATOM 784 OG SER A 56 6.542 5.102 10.569 1.00 0.00 O ATOM 0 H SER A 56 3.994 5.023 7.443 1.00 0.00 H new ATOM 0 HA SER A 56 3.886 4.805 10.389 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.801 3.624 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.280 5.101 8.524 1.00 0.00 H new ATOM 0 HG SER A 56 7.459 4.763 10.497 1.00 0.00 H new ATOM 790 N PRO A 57 3.643 7.273 10.626 1.00 0.00 N ATOM 791 CA PRO A 57 3.665 8.699 10.950 1.00 0.00 C ATOM 792 C PRO A 57 4.967 9.093 11.639 1.00 0.00 C ATOM 793 O PRO A 57 5.311 10.272 11.730 1.00 0.00 O ATOM 794 CB PRO A 57 2.482 8.860 11.903 1.00 0.00 C ATOM 795 CG PRO A 57 2.361 7.536 12.568 1.00 0.00 C ATOM 796 CD PRO A 57 2.743 6.524 11.525 1.00 0.00 C ATOM 0 HA PRO A 57 3.598 9.332 10.065 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.661 9.654 12.628 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.570 9.119 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.018 7.472 13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.345 7.368 12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.244 5.663 11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.869 6.147 10.994 1.00 0.00 H new ATOM 804 N ASP A 58 5.686 8.090 12.124 1.00 0.00 N ATOM 805 CA ASP A 58 6.965 8.311 12.784 1.00 0.00 C ATOM 806 C ASP A 58 8.047 8.522 11.741 1.00 0.00 C ATOM 807 O ASP A 58 8.997 9.280 11.953 1.00 0.00 O ATOM 808 CB ASP A 58 7.330 7.123 13.677 1.00 0.00 C ATOM 809 CG ASP A 58 6.309 6.868 14.769 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.421 7.485 15.850 1.00 0.00 O ATOM 811 OD2 ASP A 58 5.390 6.048 14.550 1.00 0.00 O ATOM 0 H ASP A 58 5.404 7.111 12.072 1.00 0.00 H new ATOM 0 HA ASP A 58 6.883 9.199 13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.427 6.229 13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.304 7.303 14.132 1.00 0.00 H new ATOM 816 N SER A 59 7.875 7.834 10.615 1.00 0.00 N ATOM 817 CA SER A 59 8.750 7.951 9.455 1.00 0.00 C ATOM 818 C SER A 59 10.124 7.334 9.721 1.00 0.00 C ATOM 819 O SER A 59 10.435 6.249 9.221 1.00 0.00 O ATOM 820 CB SER A 59 8.892 9.408 9.008 1.00 0.00 C ATOM 821 OG SER A 59 9.498 9.491 7.731 1.00 0.00 O ATOM 0 H SER A 59 7.112 7.170 10.482 1.00 0.00 H new ATOM 0 HA SER A 59 8.283 7.391 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.910 9.881 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.490 9.958 9.735 1.00 0.00 H new ATOM 0 HG SER A 59 8.937 10.033 7.137 1.00 0.00 H new ATOM 827 N GLY A 60 10.944 8.022 10.504 1.00 0.00 N ATOM 828 CA GLY A 60 12.246 7.496 10.854 1.00 0.00 C ATOM 829 C GLY A 60 13.372 8.402 10.410 1.00 0.00 C ATOM 830 O GLY A 60 14.145 8.889 11.232 1.00 0.00 O ATOM 0 H GLY A 60 10.729 8.936 10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.300 7.356 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.372 6.514 10.399 1.00 0.00 H new ATOM 834 N GLY A 61 13.478 8.617 9.106 1.00 0.00 N ATOM 835 CA GLY A 61 14.515 9.491 8.581 1.00 0.00 C ATOM 836 C GLY A 61 13.959 10.620 7.735 1.00 0.00 C ATOM 837 O GLY A 61 14.687 11.541 7.358 1.00 0.00 O ATOM 0 H GLY A 61 12.867 8.204 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.084 9.911 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.211 8.903 7.982 1.00 0.00 H new ATOM 841 N LEU A 62 12.668 10.558 7.447 1.00 0.00 N ATOM 842 CA LEU A 62 12.018 11.546 6.598 1.00 0.00 C ATOM 843 C LEU A 62 11.130 12.448 7.448 1.00 0.00 C ATOM 844 O LEU A 62 10.657 12.036 8.505 1.00 0.00 O ATOM 845 CB LEU A 62 11.173 10.846 5.518 1.00 0.00 C ATOM 846 CG LEU A 62 11.941 9.985 4.508 1.00 0.00 C ATOM 847 CD1 LEU A 62 13.197 10.698 4.040 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.273 8.617 5.088 1.00 0.00 C ATOM 0 H LEU A 62 12.045 9.828 7.792 1.00 0.00 H new ATOM 0 HA LEU A 62 12.782 12.150 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.436 10.215 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.621 11.608 4.968 1.00 0.00 H new ATOM 0 HG LEU A 62 11.297 9.828 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.727 10.070 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.925 11.640 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.843 10.897 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.817 8.030 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.889 8.739 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.350 8.101 5.353 1.00 0.00 H new ATOM 860 N PRO A 63 10.911 13.701 7.015 1.00 0.00 N ATOM 861 CA PRO A 63 10.029 14.632 7.725 1.00 0.00 C ATOM 862 C PRO A 63 8.565 14.363 7.412 1.00 0.00 C ATOM 863 O PRO A 63 7.675 14.644 8.216 1.00 0.00 O ATOM 864 CB PRO A 63 10.452 15.982 7.160 1.00 0.00 C ATOM 865 CG PRO A 63 10.814 15.666 5.754 1.00 0.00 C ATOM 866 CD PRO A 63 11.506 14.327 5.812 1.00 0.00 C ATOM 0 HA PRO A 63 10.114 14.556 8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.644 16.711 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.296 16.401 7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.928 15.624 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.470 16.430 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.320 13.736 4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.587 14.434 5.905 1.00 0.00 H new ATOM 874 N GLU A 64 8.329 13.826 6.227 1.00 0.00 N ATOM 875 CA GLU A 64 7.003 13.430 5.820 1.00 0.00 C ATOM 876 C GLU A 64 6.780 11.973 6.197 1.00 0.00 C ATOM 877 O GLU A 64 7.587 11.395 6.927 1.00 0.00 O ATOM 878 CB GLU A 64 6.813 13.674 4.316 1.00 0.00 C ATOM 879 CG GLU A 64 7.934 13.118 3.449 1.00 0.00 C ATOM 880 CD GLU A 64 8.455 14.137 2.452 1.00 0.00 C ATOM 881 OE1 GLU A 64 9.392 14.884 2.806 1.00 0.00 O ATOM 882 OE2 GLU A 64 7.929 14.198 1.318 1.00 0.00 O ATOM 0 H GLU A 64 9.051 13.655 5.527 1.00 0.00 H new ATOM 0 HA GLU A 64 6.257 14.033 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.870 13.226 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.731 14.747 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.753 12.787 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.573 12.240 2.912 1.00 0.00 H new ATOM 889 N ARG A 65 5.708 11.373 5.721 1.00 0.00 N ATOM 890 CA ARG A 65 5.375 10.025 6.123 1.00 0.00 C ATOM 891 C ARG A 65 6.210 9.013 5.355 1.00 0.00 C ATOM 892 O ARG A 65 6.664 9.279 4.241 1.00 0.00 O ATOM 893 CB ARG A 65 3.890 9.753 5.892 1.00 0.00 C ATOM 894 CG ARG A 65 2.967 10.711 6.623 1.00 0.00 C ATOM 895 CD ARG A 65 3.244 10.714 8.108 1.00 0.00 C ATOM 896 NE ARG A 65 2.354 11.625 8.827 1.00 0.00 N ATOM 897 CZ ARG A 65 2.727 12.382 9.860 1.00 0.00 C ATOM 898 NH1 ARG A 65 3.983 12.371 10.287 1.00 0.00 N ATOM 899 NH2 ARG A 65 1.840 13.163 10.461 1.00 0.00 N ATOM 0 H ARG A 65 5.057 11.796 5.059 1.00 0.00 H new ATOM 0 HA ARG A 65 5.594 9.924 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.683 9.809 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.664 8.735 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.095 11.718 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.930 10.427 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.125 9.704 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.280 11.005 8.284 1.00 0.00 H new ATOM 0 HE ARG A 65 1.384 11.685 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.674 11.780 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.258 12.954 11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.874 13.184 10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.123 13.743 11.251 1.00 0.00 H new ATOM 913 N SER A 66 6.425 7.863 5.957 1.00 0.00 N ATOM 914 CA SER A 66 7.099 6.782 5.279 1.00 0.00 C ATOM 915 C SER A 66 6.216 5.542 5.308 1.00 0.00 C ATOM 916 O SER A 66 5.841 5.047 6.372 1.00 0.00 O ATOM 917 CB SER A 66 8.466 6.518 5.916 1.00 0.00 C ATOM 918 OG SER A 66 8.336 6.070 7.253 1.00 0.00 O ATOM 0 H SER A 66 6.142 7.655 6.915 1.00 0.00 H new ATOM 0 HA SER A 66 7.276 7.055 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.003 5.771 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.062 7.430 5.893 1.00 0.00 H new ATOM 0 HG SER A 66 9.211 6.097 7.694 1.00 0.00 H new ATOM 924 N VAL A 67 5.829 5.083 4.137 1.00 0.00 N ATOM 925 CA VAL A 67 5.000 3.900 4.027 1.00 0.00 C ATOM 926 C VAL A 67 5.876 2.702 3.730 1.00 0.00 C ATOM 927 O VAL A 67 6.642 2.721 2.770 1.00 0.00 O ATOM 928 CB VAL A 67 3.944 4.050 2.913 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.069 2.810 2.825 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.092 5.283 3.145 1.00 0.00 C ATOM 0 H VAL A 67 6.076 5.512 3.245 1.00 0.00 H new ATOM 0 HA VAL A 67 4.476 3.763 4.973 1.00 0.00 H new ATOM 0 HB VAL A 67 4.469 4.166 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.332 2.940 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.690 1.942 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.557 2.658 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.354 5.370 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.582 5.198 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.727 6.169 3.149 1.00 0.00 H new ATOM 940 N SER A 68 5.797 1.674 4.554 1.00 0.00 N ATOM 941 CA SER A 68 6.606 0.497 4.324 1.00 0.00 C ATOM 942 C SER A 68 5.837 -0.562 3.564 1.00 0.00 C ATOM 943 O SER A 68 4.726 -0.948 3.939 1.00 0.00 O ATOM 944 CB SER A 68 7.138 -0.093 5.617 1.00 0.00 C ATOM 945 OG SER A 68 8.002 0.819 6.275 1.00 0.00 O ATOM 0 H SER A 68 5.192 1.631 5.374 1.00 0.00 H new ATOM 0 HA SER A 68 7.454 0.822 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.306 -0.349 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.674 -1.018 5.405 1.00 0.00 H new ATOM 0 HG SER A 68 8.330 0.417 7.106 1.00 0.00 H new ATOM 951 N LEU A 69 6.446 -1.009 2.492 1.00 0.00 N ATOM 952 CA LEU A 69 5.866 -1.994 1.612 1.00 0.00 C ATOM 953 C LEU A 69 6.577 -3.330 1.750 1.00 0.00 C ATOM 954 O LEU A 69 7.796 -3.390 1.622 1.00 0.00 O ATOM 955 CB LEU A 69 6.008 -1.515 0.175 1.00 0.00 C ATOM 956 CG LEU A 69 5.085 -0.371 -0.267 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.632 -0.791 -0.153 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.332 0.901 0.528 1.00 0.00 C ATOM 0 H LEU A 69 7.372 -0.694 2.203 1.00 0.00 H new ATOM 0 HA LEU A 69 4.817 -2.123 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.040 -1.197 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.836 -2.365 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 69 5.314 -0.153 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.990 0.031 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.453 -1.658 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.408 -1.048 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.657 1.684 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.153 0.709 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.364 1.223 0.387 1.00 0.00 H new ATOM 970 N THR A 70 5.830 -4.388 2.043 1.00 0.00 N ATOM 971 CA THR A 70 6.393 -5.737 2.047 1.00 0.00 C ATOM 972 C THR A 70 5.344 -6.796 1.736 1.00 0.00 C ATOM 973 O THR A 70 4.161 -6.564 1.934 1.00 0.00 O ATOM 974 CB THR A 70 7.043 -6.066 3.389 1.00 0.00 C ATOM 975 OG1 THR A 70 6.596 -5.149 4.397 1.00 0.00 O ATOM 976 CG2 THR A 70 8.549 -6.017 3.262 1.00 0.00 C ATOM 0 H THR A 70 4.839 -4.341 2.280 1.00 0.00 H new ATOM 0 HA THR A 70 7.150 -5.751 1.263 1.00 0.00 H new ATOM 0 HB THR A 70 6.749 -7.073 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.019 -5.372 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.003 -6.253 4.224 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.875 -6.744 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.856 -5.018 2.951 1.00 0.00 H new ATOM 984 N GLY A 71 5.765 -7.952 1.242 1.00 0.00 N ATOM 985 CA GLY A 71 4.819 -9.032 1.024 1.00 0.00 C ATOM 986 C GLY A 71 5.275 -10.017 -0.027 1.00 0.00 C ATOM 987 O GLY A 71 6.382 -10.540 0.040 1.00 0.00 O ATOM 0 H GLY A 71 6.731 -8.162 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.658 -9.561 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.859 -8.611 0.726 1.00 0.00 H new ATOM 991 N ALA A 72 4.411 -10.274 -0.991 1.00 0.00 N ATOM 992 CA ALA A 72 4.713 -11.180 -2.080 1.00 0.00 C ATOM 993 C ALA A 72 4.829 -10.374 -3.374 1.00 0.00 C ATOM 994 O ALA A 72 4.415 -9.215 -3.400 1.00 0.00 O ATOM 995 CB ALA A 72 3.640 -12.255 -2.167 1.00 0.00 C ATOM 0 H ALA A 72 3.480 -9.860 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 72 5.663 -11.686 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.871 -12.934 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.608 -12.814 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.671 -11.788 -2.344 1.00 0.00 H new ATOM 1001 N PRO A 73 5.390 -10.945 -4.459 1.00 0.00 N ATOM 1002 CA PRO A 73 5.725 -10.174 -5.664 1.00 0.00 C ATOM 1003 C PRO A 73 4.532 -9.419 -6.241 1.00 0.00 C ATOM 1004 O PRO A 73 4.658 -8.265 -6.656 1.00 0.00 O ATOM 1005 CB PRO A 73 6.218 -11.233 -6.658 1.00 0.00 C ATOM 1006 CG PRO A 73 5.759 -12.538 -6.106 1.00 0.00 C ATOM 1007 CD PRO A 73 5.728 -12.367 -4.617 1.00 0.00 C ATOM 0 HA PRO A 73 6.463 -9.403 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.806 -11.060 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.303 -11.207 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.773 -12.799 -6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.436 -13.343 -6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.984 -13.014 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.689 -12.607 -4.162 1.00 0.00 H new ATOM 1015 N GLU A 74 3.376 -10.064 -6.249 1.00 0.00 N ATOM 1016 CA GLU A 74 2.182 -9.465 -6.834 1.00 0.00 C ATOM 1017 C GLU A 74 1.456 -8.567 -5.829 1.00 0.00 C ATOM 1018 O GLU A 74 0.854 -7.563 -6.214 1.00 0.00 O ATOM 1019 CB GLU A 74 1.234 -10.534 -7.411 1.00 0.00 C ATOM 1020 CG GLU A 74 0.516 -11.394 -6.381 1.00 0.00 C ATOM 1021 CD GLU A 74 1.459 -12.192 -5.511 1.00 0.00 C ATOM 1022 OE1 GLU A 74 1.882 -13.291 -5.926 1.00 0.00 O ATOM 1023 OE2 GLU A 74 1.783 -11.715 -4.410 1.00 0.00 O ATOM 0 H GLU A 74 3.237 -10.997 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 74 2.510 -8.837 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.486 -10.037 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.808 -11.187 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.099 -10.754 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.160 -12.077 -6.895 1.00 0.00 H new ATOM 1030 N SER A 75 1.523 -8.908 -4.544 1.00 0.00 N ATOM 1031 CA SER A 75 0.886 -8.097 -3.520 1.00 0.00 C ATOM 1032 C SER A 75 1.646 -6.797 -3.355 1.00 0.00 C ATOM 1033 O SER A 75 1.062 -5.711 -3.324 1.00 0.00 O ATOM 1034 CB SER A 75 0.832 -8.852 -2.190 1.00 0.00 C ATOM 1035 OG SER A 75 2.092 -8.920 -1.549 1.00 0.00 O ATOM 0 H SER A 75 2.008 -9.734 -4.193 1.00 0.00 H new ATOM 0 HA SER A 75 -0.136 -7.879 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.118 -8.362 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.463 -9.863 -2.365 1.00 0.00 H new ATOM 0 HG SER A 75 1.963 -9.015 -0.582 1.00 0.00 H new ATOM 1041 N VAL A 76 2.959 -6.925 -3.276 1.00 0.00 N ATOM 1042 CA VAL A 76 3.840 -5.784 -3.139 1.00 0.00 C ATOM 1043 C VAL A 76 3.762 -4.913 -4.395 1.00 0.00 C ATOM 1044 O VAL A 76 4.026 -3.716 -4.351 1.00 0.00 O ATOM 1045 CB VAL A 76 5.295 -6.245 -2.869 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.113 -6.351 -4.150 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.972 -5.343 -1.854 1.00 0.00 C ATOM 0 H VAL A 76 3.442 -7.823 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 76 3.518 -5.189 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 76 5.241 -7.248 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.125 -6.677 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.648 -7.074 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.152 -5.377 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.991 -5.689 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.994 -4.321 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.417 -5.370 -0.916 1.00 0.00 H new ATOM 1057 N GLN A 77 3.364 -5.525 -5.506 1.00 0.00 N ATOM 1058 CA GLN A 77 3.178 -4.802 -6.756 1.00 0.00 C ATOM 1059 C GLN A 77 1.925 -3.936 -6.680 1.00 0.00 C ATOM 1060 O GLN A 77 1.990 -2.729 -6.889 1.00 0.00 O ATOM 1061 CB GLN A 77 3.067 -5.780 -7.927 1.00 0.00 C ATOM 1062 CG GLN A 77 2.961 -5.099 -9.279 1.00 0.00 C ATOM 1063 CD GLN A 77 4.195 -4.289 -9.624 1.00 0.00 C ATOM 1064 OE1 GLN A 77 5.310 -4.624 -9.217 1.00 0.00 O ATOM 1065 NE2 GLN A 77 4.005 -3.211 -10.366 1.00 0.00 N ATOM 0 H GLN A 77 3.164 -6.523 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 77 4.044 -4.160 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.938 -6.435 -7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.192 -6.413 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.799 -5.853 -10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.089 -4.445 -9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.066 -2.969 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.797 -2.622 -10.622 1.00 0.00 H new ATOM 1074 N LYS A 78 0.793 -4.563 -6.367 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.481 -3.856 -6.218 1.00 0.00 C ATOM 1076 C LYS A 78 -0.355 -2.730 -5.191 1.00 0.00 C ATOM 1077 O LYS A 78 -0.803 -1.599 -5.423 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.571 -4.855 -5.798 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.876 -4.223 -5.326 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.581 -3.454 -6.429 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.084 -4.367 -7.537 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.096 -5.341 -7.047 1.00 0.00 N ATOM 0 H LYS A 78 0.731 -5.569 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.756 -3.407 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.786 -5.511 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.179 -5.483 -4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.539 -5.003 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.670 -3.551 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.421 -2.903 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.897 -2.718 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.519 -3.763 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.242 -4.907 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.580 -5.776 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.624 -6.081 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.792 -4.848 -6.451 1.00 0.00 H new ATOM 1096 N ALA A 79 0.270 -3.049 -4.068 1.00 0.00 N ATOM 1097 CA ALA A 79 0.486 -2.080 -3.003 1.00 0.00 C ATOM 1098 C ALA A 79 1.280 -0.873 -3.494 1.00 0.00 C ATOM 1099 O ALA A 79 0.865 0.273 -3.319 1.00 0.00 O ATOM 1100 CB ALA A 79 1.217 -2.744 -1.856 1.00 0.00 C ATOM 0 H ALA A 79 0.639 -3.979 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.488 -1.723 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.379 -2.018 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.621 -3.574 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.179 -3.119 -2.206 1.00 0.00 H new ATOM 1106 N LYS A 80 2.410 -1.141 -4.135 1.00 0.00 N ATOM 1107 CA LYS A 80 3.321 -0.085 -4.547 1.00 0.00 C ATOM 1108 C LYS A 80 2.780 0.639 -5.762 1.00 0.00 C ATOM 1109 O LYS A 80 3.203 1.746 -6.064 1.00 0.00 O ATOM 1110 CB LYS A 80 4.729 -0.623 -4.817 1.00 0.00 C ATOM 1111 CG LYS A 80 5.382 -1.206 -3.572 1.00 0.00 C ATOM 1112 CD LYS A 80 6.883 -1.373 -3.727 1.00 0.00 C ATOM 1113 CE LYS A 80 7.254 -2.318 -4.857 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.727 -2.513 -4.945 1.00 0.00 N ATOM 0 H LYS A 80 2.717 -2.082 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 80 3.397 0.625 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.679 -1.390 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.353 0.181 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.178 -0.557 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.933 -2.174 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.336 -0.399 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.301 -1.748 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.767 -3.281 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.882 -1.921 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.039 -2.365 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.205 -1.831 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.968 -3.480 -4.648 1.00 0.00 H new ATOM 1128 N MET A 81 1.871 -0.012 -6.468 1.00 0.00 N ATOM 1129 CA MET A 81 1.152 0.606 -7.566 1.00 0.00 C ATOM 1130 C MET A 81 0.365 1.826 -7.074 1.00 0.00 C ATOM 1131 O MET A 81 0.475 2.912 -7.643 1.00 0.00 O ATOM 1132 CB MET A 81 0.230 -0.436 -8.210 1.00 0.00 C ATOM 1133 CG MET A 81 -1.061 0.121 -8.769 1.00 0.00 C ATOM 1134 SD MET A 81 -0.812 1.233 -10.167 1.00 0.00 S ATOM 1135 CE MET A 81 -2.506 1.687 -10.536 1.00 0.00 C ATOM 0 H MET A 81 1.612 -0.983 -6.295 1.00 0.00 H new ATOM 0 HA MET A 81 1.859 0.960 -8.317 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.773 -0.934 -9.013 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.010 -1.197 -7.468 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.700 -0.705 -9.080 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.591 0.654 -7.979 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.522 2.375 -11.381 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.077 0.792 -10.785 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.951 2.171 -9.666 1.00 0.00 H new ATOM 1145 N MET A 82 -0.406 1.656 -5.997 1.00 0.00 N ATOM 1146 CA MET A 82 -1.165 2.777 -5.434 1.00 0.00 C ATOM 1147 C MET A 82 -0.229 3.836 -4.868 1.00 0.00 C ATOM 1148 O MET A 82 -0.475 5.036 -4.997 1.00 0.00 O ATOM 1149 CB MET A 82 -2.136 2.316 -4.345 1.00 0.00 C ATOM 1150 CG MET A 82 -3.381 1.629 -4.882 1.00 0.00 C ATOM 1151 SD MET A 82 -4.221 2.603 -6.150 1.00 0.00 S ATOM 1152 CE MET A 82 -5.582 1.513 -6.575 1.00 0.00 C ATOM 0 H MET A 82 -0.521 0.770 -5.504 1.00 0.00 H new ATOM 0 HA MET A 82 -1.745 3.209 -6.249 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.616 1.632 -3.674 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.437 3.179 -3.751 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.106 0.659 -5.297 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.070 1.439 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.193 1.978 -7.349 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.188 0.566 -6.944 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.193 1.332 -5.691 1.00 0.00 H new ATOM 1162 N LEU A 83 0.848 3.380 -4.243 1.00 0.00 N ATOM 1163 CA LEU A 83 1.858 4.278 -3.696 1.00 0.00 C ATOM 1164 C LEU A 83 2.500 5.093 -4.809 1.00 0.00 C ATOM 1165 O LEU A 83 2.669 6.304 -4.685 1.00 0.00 O ATOM 1166 CB LEU A 83 2.932 3.498 -2.924 1.00 0.00 C ATOM 1167 CG LEU A 83 2.673 3.314 -1.421 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.614 4.664 -0.723 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.391 2.534 -1.175 1.00 0.00 C ATOM 0 H LEU A 83 1.046 2.389 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 83 1.364 4.956 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.036 2.513 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.886 4.010 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 83 3.501 2.740 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.430 4.516 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.562 5.185 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.808 5.260 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.235 2.420 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.549 3.072 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.470 1.550 -1.637 1.00 0.00 H new ATOM 1181 N ASP A 84 2.835 4.418 -5.899 1.00 0.00 N ATOM 1182 CA ASP A 84 3.405 5.066 -7.074 1.00 0.00 C ATOM 1183 C ASP A 84 2.466 6.141 -7.583 1.00 0.00 C ATOM 1184 O ASP A 84 2.886 7.254 -7.858 1.00 0.00 O ATOM 1185 CB ASP A 84 3.667 4.035 -8.180 1.00 0.00 C ATOM 1186 CG ASP A 84 4.099 4.669 -9.492 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.307 4.940 -9.661 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.234 4.882 -10.368 1.00 0.00 O ATOM 0 H ASP A 84 2.720 3.409 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 84 4.352 5.525 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.439 3.341 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.762 3.450 -8.346 1.00 0.00 H new ATOM 1193 N ASP A 85 1.189 5.797 -7.673 1.00 0.00 N ATOM 1194 CA ASP A 85 0.167 6.714 -8.162 1.00 0.00 C ATOM 1195 C ASP A 85 0.178 8.039 -7.397 1.00 0.00 C ATOM 1196 O ASP A 85 0.389 9.104 -7.982 1.00 0.00 O ATOM 1197 CB ASP A 85 -1.214 6.063 -8.055 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.329 6.981 -8.524 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.716 7.896 -7.772 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.828 6.798 -9.654 1.00 0.00 O ATOM 0 H ASP A 85 0.832 4.878 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 85 0.391 6.931 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.228 5.148 -8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.397 5.775 -7.020 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.030 7.967 -6.088 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.155 9.168 -5.269 1.00 0.00 C ATOM 1207 C ILE A 86 1.188 9.869 -5.081 1.00 0.00 C ATOM 1208 O ILE A 86 1.275 11.096 -5.157 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.800 8.862 -3.894 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.314 8.721 -4.049 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.473 9.938 -2.868 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.744 7.427 -4.701 1.00 0.00 C ATOM 0 H ILE A 86 -0.116 7.092 -5.571 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.817 9.844 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.384 7.923 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.779 8.793 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.688 9.557 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.943 9.688 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.607 9.997 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.849 10.900 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.831 7.401 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.310 7.360 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.401 6.585 -4.099 1.00 0.00 H new ATOM 1224 N VAL A 87 2.239 9.105 -4.861 1.00 0.00 N ATOM 1225 CA VAL A 87 3.546 9.699 -4.644 1.00 0.00 C ATOM 1226 C VAL A 87 4.084 10.310 -5.940 1.00 0.00 C ATOM 1227 O VAL A 87 4.865 11.254 -5.911 1.00 0.00 O ATOM 1228 CB VAL A 87 4.539 8.681 -4.048 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.935 9.282 -3.924 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.046 8.214 -2.686 1.00 0.00 C ATOM 0 H VAL A 87 2.217 8.086 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 87 3.432 10.501 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 87 4.599 7.827 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.614 8.541 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.292 9.580 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.899 10.155 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.752 7.495 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.963 9.070 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.069 7.742 -2.795 1.00 0.00 H new ATOM 1240 N SER A 88 3.629 9.804 -7.077 1.00 0.00 N ATOM 1241 CA SER A 88 3.978 10.403 -8.360 1.00 0.00 C ATOM 1242 C SER A 88 3.229 11.720 -8.538 1.00 0.00 C ATOM 1243 O SER A 88 3.791 12.706 -9.009 1.00 0.00 O ATOM 1244 CB SER A 88 3.652 9.455 -9.519 1.00 0.00 C ATOM 1245 OG SER A 88 4.110 9.974 -10.756 1.00 0.00 O ATOM 0 H SER A 88 3.022 8.987 -7.139 1.00 0.00 H new ATOM 0 HA SER A 88 5.051 10.592 -8.368 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.112 8.484 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.575 9.293 -9.567 1.00 0.00 H new ATOM 0 HG SER A 88 3.889 9.347 -11.476 1.00 0.00 H new ATOM 1251 N ARG A 89 1.960 11.742 -8.141 1.00 0.00 N ATOM 1252 CA ARG A 89 1.146 12.947 -8.278 1.00 0.00 C ATOM 1253 C ARG A 89 1.475 13.964 -7.182 1.00 0.00 C ATOM 1254 O ARG A 89 0.976 15.090 -7.199 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.355 12.608 -8.280 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.898 12.061 -6.965 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.388 11.770 -7.063 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.687 10.642 -7.947 1.00 0.00 N ATOM 1259 CZ ARG A 89 -3.404 10.736 -9.070 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -3.856 11.915 -9.484 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.665 9.645 -9.776 1.00 0.00 N ATOM 0 H ARG A 89 1.476 10.947 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 89 1.388 13.400 -9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.914 13.507 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.545 11.877 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.364 11.149 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.717 12.781 -6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.779 11.560 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.904 12.658 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.324 9.724 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.656 12.756 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.403 11.979 -10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.319 8.739 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.212 9.712 -10.634 1.00 0.00 H new ATOM 1275 N GLY A 90 2.308 13.560 -6.225 1.00 0.00 N ATOM 1276 CA GLY A 90 2.700 14.455 -5.149 1.00 0.00 C ATOM 1277 C GLY A 90 4.161 14.874 -5.211 1.00 0.00 C ATOM 1278 O GLY A 90 4.481 16.050 -5.063 1.00 0.00 O ATOM 0 H GLY A 90 2.719 12.628 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.073 15.346 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.510 13.966 -4.193 1.00 0.00 H new ATOM 1282 N ARG A 91 5.052 13.913 -5.417 1.00 0.00 N ATOM 1283 CA ARG A 91 6.491 14.181 -5.430 1.00 0.00 C ATOM 1284 C ARG A 91 7.036 14.212 -6.855 1.00 0.00 C ATOM 1285 O ARG A 91 8.215 14.488 -7.065 1.00 0.00 O ATOM 1286 CB ARG A 91 7.246 13.113 -4.627 1.00 0.00 C ATOM 1287 CG ARG A 91 6.963 13.135 -3.132 1.00 0.00 C ATOM 1288 CD ARG A 91 8.017 13.912 -2.349 1.00 0.00 C ATOM 1289 NE ARG A 91 8.091 15.321 -2.736 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.332 16.319 -1.878 1.00 0.00 C ATOM 1291 NH1 ARG A 91 8.405 16.087 -0.566 1.00 0.00 N ATOM 1292 NH2 ARG A 91 8.470 17.558 -2.332 1.00 0.00 N ATOM 0 H ARG A 91 4.806 12.936 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 91 6.644 15.159 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.987 12.130 -5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.316 13.247 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.984 13.581 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.919 12.112 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.794 13.844 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.991 13.447 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 91 7.950 15.557 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.277 15.141 -0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.589 16.856 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.392 17.747 -3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.654 18.322 -1.682 1.00 0.00 H new