USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 12 GLN : amide:sc= 0.142 K(o=0.14,f=-0.38) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 2:sc= 1.24 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -73:sc= 0.143 USER MOD Single : A 23 ASN : amide:sc= -0.983 K(o=-0.98,f=0.8) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -0.147 (180deg=-0.685) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -152:sc= -0.236 (180deg=-0.969) USER MOD Single : A 41 HIS : no HE2:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : A 43 SER OG : rot -53:sc= -4.74! USER MOD Single : A 48 SER OG : rot -15:sc= 0.895 USER MOD Single : A 53 MET CE :methyl 180:sc= -7.62! (180deg=-7.62!) USER MOD Single : A 54 SER OG : rot -170:sc= -2.3 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= -0.516 (180deg=-1.05) USER MOD Single : A 67 ASN : amide:sc= -3.81! C(o=-3.8!,f=-9.7!) USER MOD Single : A 70 LYS NZ :NH3+ 148:sc= -0.722 (180deg=-1.88!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 160:sc= -0.504 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -0.244 12.116 8.079 1.00 0.00 N ATOM 2 CA PRO A 9 0.442 11.383 6.981 1.00 0.00 C ATOM 3 C PRO A 9 0.548 12.230 5.713 1.00 0.00 C ATOM 4 O PRO A 9 -0.289 13.095 5.459 1.00 0.00 O ATOM 5 CB PRO A 9 -0.357 10.112 6.707 1.00 0.00 C ATOM 6 CG PRO A 9 -1.582 10.257 7.545 1.00 0.00 C ATOM 7 CD PRO A 9 -1.213 11.182 8.679 1.00 0.00 C ATOM 0 HA PRO A 9 1.462 11.145 7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.607 10.020 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.208 9.221 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.406 10.667 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.911 9.289 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.086 11.707 9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.775 10.635 9.514 1.00 0.00 H new ATOM 15 N GLY A 10 1.586 11.972 4.923 1.00 0.00 N ATOM 16 CA GLY A 10 1.785 12.715 3.692 1.00 0.00 C ATOM 17 C GLY A 10 2.911 12.150 2.851 1.00 0.00 C ATOM 18 O GLY A 10 3.727 12.897 2.312 1.00 0.00 O ATOM 0 H GLY A 10 2.293 11.262 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.862 12.705 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.001 13.756 3.930 1.00 0.00 H new ATOM 22 N LEU A 11 2.958 10.826 2.742 1.00 0.00 N ATOM 23 CA LEU A 11 3.992 10.160 1.967 1.00 0.00 C ATOM 24 C LEU A 11 3.796 10.409 0.474 1.00 0.00 C ATOM 25 O LEU A 11 2.667 10.538 0.000 1.00 0.00 O ATOM 26 CB LEU A 11 3.988 8.654 2.251 1.00 0.00 C ATOM 27 CG LEU A 11 3.621 8.262 3.686 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.151 7.882 3.775 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.501 7.118 4.172 1.00 0.00 C ATOM 0 H LEU A 11 2.289 10.194 3.183 1.00 0.00 H new ATOM 0 HA LEU A 11 4.956 10.574 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.286 8.174 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.977 8.255 2.024 1.00 0.00 H new ATOM 0 HG LEU A 11 3.793 9.123 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.908 7.606 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.537 8.730 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.953 7.037 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.224 6.855 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.363 6.252 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.546 7.427 4.147 1.00 0.00 H new ATOM 41 N GLN A 12 4.901 10.481 -0.260 1.00 0.00 N ATOM 42 CA GLN A 12 4.856 10.716 -1.687 1.00 0.00 C ATOM 43 C GLN A 12 4.447 9.441 -2.426 1.00 0.00 C ATOM 44 O GLN A 12 4.789 8.335 -2.010 1.00 0.00 O ATOM 45 CB GLN A 12 6.225 11.239 -2.154 1.00 0.00 C ATOM 46 CG GLN A 12 6.693 10.713 -3.501 1.00 0.00 C ATOM 47 CD GLN A 12 6.215 11.566 -4.660 1.00 0.00 C ATOM 48 OE1 GLN A 12 6.619 12.720 -4.802 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.350 11.003 -5.495 1.00 0.00 N ATOM 0 H GLN A 12 5.842 10.378 0.119 1.00 0.00 H new ATOM 0 HA GLN A 12 4.104 11.471 -1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.184 12.327 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.971 10.981 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.782 10.670 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.333 9.693 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.042 10.043 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.994 11.530 -6.292 1.00 0.00 H new ATOM 58 N ILE A 13 3.702 9.606 -3.514 1.00 0.00 N ATOM 59 CA ILE A 13 3.232 8.476 -4.301 1.00 0.00 C ATOM 60 C ILE A 13 4.371 7.766 -5.025 1.00 0.00 C ATOM 61 O ILE A 13 5.226 8.401 -5.644 1.00 0.00 O ATOM 62 CB ILE A 13 2.199 8.944 -5.338 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.014 9.603 -4.629 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.738 7.792 -6.226 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.013 8.619 -4.063 1.00 0.00 C ATOM 0 H ILE A 13 3.411 10.516 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 13 2.777 7.772 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 13 2.672 9.680 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.390 10.229 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.504 10.262 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.008 8.159 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.595 7.376 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.282 7.018 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.797 9.163 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.393 8.009 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.507 7.976 -3.335 1.00 0.00 H new ATOM 77 N TYR A 14 4.352 6.442 -4.961 1.00 0.00 N ATOM 78 CA TYR A 14 5.352 5.621 -5.623 1.00 0.00 C ATOM 79 C TYR A 14 4.666 4.676 -6.603 1.00 0.00 C ATOM 80 O TYR A 14 3.498 4.332 -6.421 1.00 0.00 O ATOM 81 CB TYR A 14 6.157 4.817 -4.600 1.00 0.00 C ATOM 82 CG TYR A 14 6.815 5.660 -3.531 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.218 6.965 -3.791 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.039 5.147 -2.260 1.00 0.00 C ATOM 85 CE1 TYR A 14 7.825 7.732 -2.815 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.643 5.907 -1.278 1.00 0.00 C ATOM 87 CZ TYR A 14 8.035 7.199 -1.561 1.00 0.00 C ATOM 88 OH TYR A 14 8.638 7.960 -0.585 1.00 0.00 O ATOM 0 H TYR A 14 3.646 5.910 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 14 6.039 6.273 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.497 4.094 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.926 4.249 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.054 7.386 -4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.735 4.135 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.133 8.744 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.808 5.492 -0.294 1.00 0.00 H new ATOM 0 HH TYR A 14 8.710 7.436 0.240 1.00 0.00 H new ATOM 98 N PRO A 15 5.365 4.245 -7.665 1.00 0.00 N ATOM 99 CA PRO A 15 4.796 3.348 -8.667 1.00 0.00 C ATOM 100 C PRO A 15 4.758 1.893 -8.211 1.00 0.00 C ATOM 101 O PRO A 15 5.138 0.995 -8.959 1.00 0.00 O ATOM 102 CB PRO A 15 5.731 3.510 -9.880 1.00 0.00 C ATOM 103 CG PRO A 15 6.749 4.538 -9.490 1.00 0.00 C ATOM 104 CD PRO A 15 6.748 4.598 -7.990 1.00 0.00 C ATOM 0 HA PRO A 15 3.756 3.599 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.210 2.564 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.174 3.829 -10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.736 4.268 -9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.501 5.510 -9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.460 3.897 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.012 5.590 -7.622 1.00 0.00 H new ATOM 112 N TYR A 16 4.273 1.673 -6.991 1.00 0.00 N ATOM 113 CA TYR A 16 4.156 0.320 -6.425 1.00 0.00 C ATOM 114 C TYR A 16 5.497 -0.404 -6.358 1.00 0.00 C ATOM 115 O TYR A 16 5.980 -0.744 -5.283 1.00 0.00 O ATOM 116 CB TYR A 16 3.171 -0.511 -7.248 1.00 0.00 C ATOM 117 CG TYR A 16 2.861 -1.872 -6.658 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.065 -2.003 -5.525 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.351 -3.030 -7.247 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.767 -3.246 -5.000 1.00 0.00 C ATOM 121 CE2 TYR A 16 3.060 -4.273 -6.726 1.00 0.00 C ATOM 122 CZ TYR A 16 2.267 -4.377 -5.606 1.00 0.00 C ATOM 123 OH TYR A 16 1.972 -5.618 -5.089 1.00 0.00 O ATOM 0 H TYR A 16 3.952 2.414 -6.369 1.00 0.00 H new ATOM 0 HA TYR A 16 3.791 0.434 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.241 0.047 -7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.576 -0.646 -8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.673 -1.117 -5.047 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.971 -2.956 -8.128 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.146 -3.330 -4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.453 -5.163 -7.196 1.00 0.00 H new ATOM 0 HH TYR A 16 1.379 -5.518 -4.315 1.00 0.00 H new ATOM 133 N GLU A 17 6.070 -0.642 -7.521 1.00 0.00 N ATOM 134 CA GLU A 17 7.353 -1.333 -7.663 1.00 0.00 C ATOM 135 C GLU A 17 8.360 -0.877 -6.616 1.00 0.00 C ATOM 136 O GLU A 17 9.242 -1.635 -6.213 1.00 0.00 O ATOM 137 CB GLU A 17 7.923 -1.099 -9.062 1.00 0.00 C ATOM 138 CG GLU A 17 7.006 -1.572 -10.179 1.00 0.00 C ATOM 139 CD GLU A 17 7.524 -2.818 -10.871 1.00 0.00 C ATOM 140 OE1 GLU A 17 8.215 -3.622 -10.209 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.240 -2.990 -12.075 1.00 0.00 O ATOM 0 H GLU A 17 5.659 -0.360 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 17 7.171 -2.397 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.121 -0.035 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.880 -1.614 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.016 -1.773 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.892 -0.774 -10.913 1.00 0.00 H new ATOM 148 N MET A 18 8.219 0.363 -6.176 1.00 0.00 N ATOM 149 CA MET A 18 9.114 0.916 -5.170 1.00 0.00 C ATOM 150 C MET A 18 8.922 0.197 -3.840 1.00 0.00 C ATOM 151 O MET A 18 9.815 0.171 -2.992 1.00 0.00 O ATOM 152 CB MET A 18 8.861 2.414 -4.999 1.00 0.00 C ATOM 153 CG MET A 18 9.762 3.285 -5.859 1.00 0.00 C ATOM 154 SD MET A 18 10.279 4.794 -5.017 1.00 0.00 S ATOM 155 CE MET A 18 11.993 4.895 -5.527 1.00 0.00 C ATOM 0 H MET A 18 7.495 1.005 -6.498 1.00 0.00 H new ATOM 0 HA MET A 18 10.142 0.771 -5.503 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.821 2.629 -5.244 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.004 2.681 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.645 2.714 -6.148 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.238 3.548 -6.778 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.452 5.780 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.525 4.005 -5.192 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.046 4.962 -6.614 1.00 0.00 H new ATOM 165 N LEU A 19 7.741 -0.381 -3.674 1.00 0.00 N ATOM 166 CA LEU A 19 7.381 -1.105 -2.465 1.00 0.00 C ATOM 167 C LEU A 19 7.099 -2.579 -2.765 1.00 0.00 C ATOM 168 O LEU A 19 6.961 -3.387 -1.847 1.00 0.00 O ATOM 169 CB LEU A 19 6.137 -0.471 -1.856 1.00 0.00 C ATOM 170 CG LEU A 19 6.169 1.052 -1.753 1.00 0.00 C ATOM 171 CD1 LEU A 19 4.761 1.617 -1.867 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.822 1.486 -0.448 1.00 0.00 C ATOM 0 H LEU A 19 7.003 -0.360 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 19 8.218 -1.050 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.272 -0.761 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.989 -0.884 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 19 6.765 1.445 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.798 2.704 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.332 1.334 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.143 1.219 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.836 2.574 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.255 1.087 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.844 1.108 -0.409 1.00 0.00 H new ATOM 184 N VAL A 20 6.992 -2.914 -4.055 1.00 0.00 N ATOM 185 CA VAL A 20 6.704 -4.282 -4.493 1.00 0.00 C ATOM 186 C VAL A 20 7.337 -5.330 -3.583 1.00 0.00 C ATOM 187 O VAL A 20 8.380 -5.095 -2.971 1.00 0.00 O ATOM 188 CB VAL A 20 7.187 -4.517 -5.945 1.00 0.00 C ATOM 189 CG1 VAL A 20 7.706 -5.934 -6.134 1.00 0.00 C ATOM 190 CG2 VAL A 20 6.066 -4.239 -6.925 1.00 0.00 C ATOM 0 H VAL A 20 7.102 -2.248 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 20 5.621 -4.393 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 20 8.009 -3.827 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.037 -6.066 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.544 -6.108 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.910 -6.645 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.421 -4.409 -7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.228 -4.904 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.741 -3.204 -6.822 1.00 0.00 H new ATOM 200 N VAL A 21 6.704 -6.499 -3.520 1.00 0.00 N ATOM 201 CA VAL A 21 7.208 -7.591 -2.713 1.00 0.00 C ATOM 202 C VAL A 21 8.594 -8.003 -3.190 1.00 0.00 C ATOM 203 O VAL A 21 8.761 -8.493 -4.308 1.00 0.00 O ATOM 204 CB VAL A 21 6.270 -8.813 -2.765 1.00 0.00 C ATOM 205 CG1 VAL A 21 6.749 -9.896 -1.810 1.00 0.00 C ATOM 206 CG2 VAL A 21 4.842 -8.405 -2.444 1.00 0.00 C ATOM 0 H VAL A 21 5.841 -6.708 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 21 7.261 -7.238 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 21 6.289 -9.218 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.074 -10.750 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.754 -10.210 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.762 -9.504 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.195 -9.281 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.803 -7.973 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.502 -7.668 -3.171 1.00 0.00 H new ATOM 216 N THR A 22 9.581 -7.790 -2.334 1.00 0.00 N ATOM 217 CA THR A 22 10.965 -8.122 -2.642 1.00 0.00 C ATOM 218 C THR A 22 11.094 -9.536 -3.205 1.00 0.00 C ATOM 219 O THR A 22 10.116 -10.278 -3.286 1.00 0.00 O ATOM 220 CB THR A 22 11.827 -7.977 -1.392 1.00 0.00 C ATOM 221 OG1 THR A 22 11.055 -7.525 -0.292 1.00 0.00 O ATOM 222 CG2 THR A 22 12.984 -7.019 -1.568 1.00 0.00 C ATOM 0 H THR A 22 9.447 -7.383 -1.408 1.00 0.00 H new ATOM 0 HA THR A 22 11.312 -7.427 -3.406 1.00 0.00 H new ATOM 0 HB THR A 22 12.228 -8.973 -1.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.836 -6.578 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.555 -6.964 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.630 -7.373 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.602 -6.029 -1.818 1.00 0.00 H new ATOM 230 N ASN A 23 12.314 -9.897 -3.591 1.00 0.00 N ATOM 231 CA ASN A 23 12.586 -11.213 -4.144 1.00 0.00 C ATOM 232 C ASN A 23 14.077 -11.385 -4.415 1.00 0.00 C ATOM 233 O ASN A 23 14.601 -10.874 -5.405 1.00 0.00 O ATOM 234 CB ASN A 23 11.786 -11.426 -5.433 1.00 0.00 C ATOM 235 CG ASN A 23 10.754 -12.528 -5.299 1.00 0.00 C ATOM 236 OD1 ASN A 23 9.836 -12.438 -4.484 1.00 0.00 O ATOM 237 ND2 ASN A 23 10.900 -13.576 -6.101 1.00 0.00 N ATOM 0 H ASN A 23 13.132 -9.291 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 23 12.279 -11.961 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.287 -10.496 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.470 -11.670 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.236 -14.349 -6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.676 -13.608 -6.762 1.00 0.00 H new ATOM 244 N LYS A 24 14.756 -12.104 -3.527 1.00 0.00 N ATOM 245 CA LYS A 24 16.190 -12.341 -3.666 1.00 0.00 C ATOM 246 C LYS A 24 16.974 -11.046 -3.470 1.00 0.00 C ATOM 247 O LYS A 24 17.642 -10.567 -4.386 1.00 0.00 O ATOM 248 CB LYS A 24 16.504 -12.943 -5.040 1.00 0.00 C ATOM 249 CG LYS A 24 15.497 -13.986 -5.496 1.00 0.00 C ATOM 250 CD LYS A 24 15.316 -15.083 -4.456 1.00 0.00 C ATOM 251 CE LYS A 24 15.363 -16.465 -5.088 1.00 0.00 C ATOM 252 NZ LYS A 24 16.658 -16.717 -5.779 1.00 0.00 N ATOM 0 H LYS A 24 14.336 -12.533 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 24 16.492 -13.049 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.542 -12.141 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.495 -13.396 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.538 -13.506 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.829 -14.426 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.097 -15.001 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.363 -14.948 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.209 -17.221 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.545 -16.566 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.885 -17.731 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.583 -16.424 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.412 -16.172 -5.314 1.00 0.00 H new ATOM 266 N GLY A 25 16.886 -10.485 -2.267 1.00 0.00 N ATOM 267 CA GLY A 25 17.590 -9.251 -1.970 1.00 0.00 C ATOM 268 C GLY A 25 16.736 -8.274 -1.186 1.00 0.00 C ATOM 269 O GLY A 25 16.122 -7.376 -1.762 1.00 0.00 O ATOM 0 H GLY A 25 16.340 -10.863 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.492 -9.478 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.909 -8.784 -2.902 1.00 0.00 H new ATOM 273 N ARG A 26 16.695 -8.452 0.131 1.00 0.00 N ATOM 274 CA ARG A 26 15.907 -7.587 1.001 1.00 0.00 C ATOM 275 C ARG A 26 16.307 -6.124 0.837 1.00 0.00 C ATOM 276 O ARG A 26 17.155 -5.615 1.571 1.00 0.00 O ATOM 277 CB ARG A 26 16.076 -8.012 2.462 1.00 0.00 C ATOM 278 CG ARG A 26 15.623 -9.436 2.738 1.00 0.00 C ATOM 279 CD ARG A 26 16.797 -10.403 2.749 1.00 0.00 C ATOM 280 NE ARG A 26 16.555 -11.549 3.622 1.00 0.00 N ATOM 281 CZ ARG A 26 16.690 -11.514 4.947 1.00 0.00 C ATOM 282 NH1 ARG A 26 17.062 -10.392 5.552 1.00 0.00 N ATOM 283 NH2 ARG A 26 16.451 -12.601 5.665 1.00 0.00 N ATOM 0 H ARG A 26 17.201 -9.191 0.620 1.00 0.00 H new ATOM 0 HA ARG A 26 14.860 -7.688 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 26 17.125 -7.913 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.511 -7.330 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.109 -9.476 3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.904 -9.744 1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.987 -10.754 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.695 -9.880 3.079 1.00 0.00 H new ATOM 0 HE ARG A 26 16.266 -12.427 3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.246 -9.553 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.164 -10.369 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.164 -13.464 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.554 -12.575 6.679 1.00 0.00 H new ATOM 297 N THR A 27 15.692 -5.452 -0.131 1.00 0.00 N ATOM 298 CA THR A 27 15.983 -4.050 -0.391 1.00 0.00 C ATOM 299 C THR A 27 15.347 -3.149 0.655 1.00 0.00 C ATOM 300 O THR A 27 14.426 -3.549 1.368 1.00 0.00 O ATOM 301 CB THR A 27 15.522 -3.627 -1.791 1.00 0.00 C ATOM 302 OG1 THR A 27 15.196 -2.250 -1.816 1.00 0.00 O ATOM 303 CG2 THR A 27 14.320 -4.391 -2.307 1.00 0.00 C ATOM 0 H THR A 27 14.988 -5.858 -0.748 1.00 0.00 H new ATOM 0 HA THR A 27 17.066 -3.938 -0.337 1.00 0.00 H new ATOM 0 HB THR A 27 16.368 -3.853 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.906 -1.999 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.059 -4.030 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.558 -5.453 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.476 -4.240 -1.634 1.00 0.00 H new ATOM 311 N LYS A 28 15.852 -1.928 0.735 1.00 0.00 N ATOM 312 CA LYS A 28 15.348 -0.947 1.690 1.00 0.00 C ATOM 313 C LYS A 28 14.148 -0.199 1.116 1.00 0.00 C ATOM 314 O LYS A 28 14.046 -0.007 -0.096 1.00 0.00 O ATOM 315 CB LYS A 28 16.450 0.046 2.065 1.00 0.00 C ATOM 316 CG LYS A 28 17.371 -0.456 3.165 1.00 0.00 C ATOM 317 CD LYS A 28 17.693 0.641 4.168 1.00 0.00 C ATOM 318 CE LYS A 28 18.577 1.714 3.554 1.00 0.00 C ATOM 319 NZ LYS A 28 18.339 3.049 4.170 1.00 0.00 N ATOM 0 H LYS A 28 16.614 -1.589 0.148 1.00 0.00 H new ATOM 0 HA LYS A 28 15.029 -1.479 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.044 0.269 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.991 0.982 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.901 -1.294 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.295 -0.830 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.767 1.092 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.193 0.208 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.624 1.438 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.389 1.770 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.961 3.753 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.346 3.325 4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.543 3.003 5.189 1.00 0.00 H new ATOM 333 N LEU A 29 13.240 0.217 1.994 1.00 0.00 N ATOM 334 CA LEU A 29 12.050 0.937 1.577 1.00 0.00 C ATOM 335 C LEU A 29 12.361 2.407 1.313 1.00 0.00 C ATOM 336 O LEU A 29 13.320 2.955 1.854 1.00 0.00 O ATOM 337 CB LEU A 29 10.957 0.820 2.642 1.00 0.00 C ATOM 338 CG LEU A 29 10.068 -0.421 2.533 1.00 0.00 C ATOM 339 CD1 LEU A 29 8.946 -0.359 3.557 1.00 0.00 C ATOM 340 CD2 LEU A 29 9.501 -0.551 1.127 1.00 0.00 C ATOM 0 H LEU A 29 13.310 0.065 3.000 1.00 0.00 H new ATOM 0 HA LEU A 29 11.696 0.489 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.428 0.824 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.324 1.706 2.589 1.00 0.00 H new ATOM 0 HG LEU A 29 10.677 -1.301 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.322 -1.248 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.371 -0.313 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.340 0.529 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.872 -1.439 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.906 0.331 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.319 -0.639 0.412 1.00 0.00 H new ATOM 352 N PRO A 30 11.545 3.069 0.473 1.00 0.00 N ATOM 353 CA PRO A 30 11.734 4.484 0.137 1.00 0.00 C ATOM 354 C PRO A 30 11.826 5.367 1.379 1.00 0.00 C ATOM 355 O PRO A 30 11.317 5.011 2.442 1.00 0.00 O ATOM 356 CB PRO A 30 10.480 4.830 -0.669 1.00 0.00 C ATOM 357 CG PRO A 30 10.027 3.531 -1.239 1.00 0.00 C ATOM 358 CD PRO A 30 10.376 2.488 -0.215 1.00 0.00 C ATOM 0 HA PRO A 30 12.665 4.652 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.712 5.274 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.701 5.552 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.955 3.543 -1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.522 3.327 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.551 2.309 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.616 1.532 -0.680 1.00 0.00 H new ATOM 366 N PRO A 31 12.480 6.537 1.264 1.00 0.00 N ATOM 367 CA PRO A 31 12.633 7.469 2.387 1.00 0.00 C ATOM 368 C PRO A 31 11.288 7.958 2.916 1.00 0.00 C ATOM 369 O PRO A 31 10.666 8.844 2.330 1.00 0.00 O ATOM 370 CB PRO A 31 13.427 8.637 1.789 1.00 0.00 C ATOM 371 CG PRO A 31 14.062 8.089 0.557 1.00 0.00 C ATOM 372 CD PRO A 31 13.119 7.042 0.038 1.00 0.00 C ATOM 0 HA PRO A 31 13.126 6.999 3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.774 9.478 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.178 9.002 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.220 8.874 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.039 7.659 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.389 7.463 -0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.647 6.253 -0.497 1.00 0.00 H new ATOM 380 N GLY A 32 10.847 7.376 4.026 1.00 0.00 N ATOM 381 CA GLY A 32 9.579 7.767 4.614 1.00 0.00 C ATOM 382 C GLY A 32 8.430 6.893 4.150 1.00 0.00 C ATOM 383 O GLY A 32 7.557 7.345 3.409 1.00 0.00 O ATOM 0 H GLY A 32 11.344 6.641 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.655 7.716 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.368 8.805 4.358 1.00 0.00 H new ATOM 387 N VAL A 33 8.431 5.637 4.587 1.00 0.00 N ATOM 388 CA VAL A 33 7.398 4.697 4.222 1.00 0.00 C ATOM 389 C VAL A 33 6.687 4.153 5.443 1.00 0.00 C ATOM 390 O VAL A 33 7.246 4.090 6.537 1.00 0.00 O ATOM 391 CB VAL A 33 7.954 3.546 3.377 1.00 0.00 C ATOM 392 CG1 VAL A 33 6.930 2.435 3.213 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.405 4.068 2.028 1.00 0.00 C ATOM 0 H VAL A 33 9.149 5.252 5.201 1.00 0.00 H new ATOM 0 HA VAL A 33 6.674 5.243 3.618 1.00 0.00 H new ATOM 0 HB VAL A 33 8.813 3.122 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.356 1.634 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.657 2.044 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.042 2.829 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.799 3.245 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.558 4.517 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.183 4.818 2.170 1.00 0.00 H new ATOM 403 N ASP A 34 5.437 3.790 5.237 1.00 0.00 N ATOM 404 CA ASP A 34 4.605 3.279 6.298 1.00 0.00 C ATOM 405 C ASP A 34 4.339 1.787 6.128 1.00 0.00 C ATOM 406 O ASP A 34 3.451 1.389 5.376 1.00 0.00 O ATOM 407 CB ASP A 34 3.295 4.053 6.292 1.00 0.00 C ATOM 408 CG ASP A 34 2.848 4.459 7.683 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.720 3.569 8.550 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.625 5.668 7.905 1.00 0.00 O ATOM 0 H ASP A 34 4.974 3.842 4.330 1.00 0.00 H new ATOM 0 HA ASP A 34 5.118 3.408 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.408 4.945 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.519 3.443 5.829 1.00 0.00 H new ATOM 415 N ARG A 35 5.109 0.968 6.836 1.00 0.00 N ATOM 416 CA ARG A 35 4.948 -0.481 6.767 1.00 0.00 C ATOM 417 C ARG A 35 3.488 -0.878 6.980 1.00 0.00 C ATOM 418 O ARG A 35 2.980 -1.792 6.332 1.00 0.00 O ATOM 419 CB ARG A 35 5.835 -1.164 7.812 1.00 0.00 C ATOM 420 CG ARG A 35 6.661 -2.311 7.252 1.00 0.00 C ATOM 421 CD ARG A 35 8.105 -2.244 7.725 1.00 0.00 C ATOM 422 NE ARG A 35 8.255 -2.727 9.096 1.00 0.00 N ATOM 423 CZ ARG A 35 9.420 -3.085 9.631 1.00 0.00 C ATOM 424 NH1 ARG A 35 10.537 -3.017 8.917 1.00 0.00 N ATOM 425 NH2 ARG A 35 9.469 -3.513 10.886 1.00 0.00 N ATOM 0 H ARG A 35 5.850 1.281 7.463 1.00 0.00 H new ATOM 0 HA ARG A 35 5.252 -0.809 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.505 -0.423 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.207 -1.540 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.221 -3.260 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.633 -2.283 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.732 -2.838 7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.460 -1.215 7.662 1.00 0.00 H new ATOM 0 HE ARG A 35 7.419 -2.794 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.506 -2.689 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.426 -3.293 9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.614 -3.567 11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.361 -3.788 11.297 1.00 0.00 H new ATOM 439 N MET A 36 2.821 -0.181 7.896 1.00 0.00 N ATOM 440 CA MET A 36 1.427 -0.450 8.202 1.00 0.00 C ATOM 441 C MET A 36 0.491 0.442 7.383 1.00 0.00 C ATOM 442 O MET A 36 -0.716 0.476 7.624 1.00 0.00 O ATOM 443 CB MET A 36 1.167 -0.245 9.696 1.00 0.00 C ATOM 444 CG MET A 36 0.823 -1.527 10.435 1.00 0.00 C ATOM 445 SD MET A 36 1.369 -1.505 12.153 1.00 0.00 S ATOM 446 CE MET A 36 3.147 -1.441 11.942 1.00 0.00 C ATOM 0 H MET A 36 3.231 0.578 8.440 1.00 0.00 H new ATOM 0 HA MET A 36 1.222 -1.487 7.937 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.051 0.201 10.152 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.350 0.466 9.820 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.255 -1.683 10.402 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.283 -2.372 9.922 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.632 -1.905 12.801 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.425 -1.977 11.034 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.467 -0.402 11.862 1.00 0.00 H new ATOM 456 N ARG A 37 1.053 1.162 6.418 1.00 0.00 N ATOM 457 CA ARG A 37 0.271 2.053 5.568 1.00 0.00 C ATOM 458 C ARG A 37 0.987 2.283 4.242 1.00 0.00 C ATOM 459 O ARG A 37 1.295 3.417 3.872 1.00 0.00 O ATOM 460 CB ARG A 37 0.028 3.387 6.281 1.00 0.00 C ATOM 461 CG ARG A 37 -1.405 3.881 6.178 1.00 0.00 C ATOM 462 CD ARG A 37 -2.288 3.254 7.245 1.00 0.00 C ATOM 463 NE ARG A 37 -3.394 4.130 7.624 1.00 0.00 N ATOM 464 CZ ARG A 37 -3.271 5.161 8.456 1.00 0.00 C ATOM 465 NH1 ARG A 37 -2.094 5.448 8.999 1.00 0.00 N ATOM 466 NH2 ARG A 37 -4.328 5.907 8.747 1.00 0.00 N ATOM 0 H ARG A 37 2.050 1.146 6.204 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.693 1.586 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.292 3.280 7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.694 4.140 5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.425 4.966 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.802 3.645 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.685 2.308 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.687 3.027 8.126 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.314 3.940 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.278 4.877 8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.006 6.240 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.235 5.690 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.234 6.697 9.385 1.00 0.00 H new ATOM 480 N LEU A 38 1.259 1.192 3.535 1.00 0.00 N ATOM 481 CA LEU A 38 1.948 1.254 2.258 1.00 0.00 C ATOM 482 C LEU A 38 1.032 1.781 1.161 1.00 0.00 C ATOM 483 O LEU A 38 1.477 2.419 0.207 1.00 0.00 O ATOM 484 CB LEU A 38 2.449 -0.144 1.887 1.00 0.00 C ATOM 485 CG LEU A 38 3.951 -0.392 2.061 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.756 0.803 1.583 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.273 -0.710 3.515 1.00 0.00 C ATOM 0 H LEU A 38 1.009 0.248 3.830 1.00 0.00 H new ATOM 0 HA LEU A 38 2.790 1.940 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.909 -0.873 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.188 -0.337 0.846 1.00 0.00 H new ATOM 0 HG LEU A 38 4.228 -1.251 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.819 0.603 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.550 0.981 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.477 1.684 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.344 -0.883 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.977 0.129 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.729 -1.603 3.821 1.00 0.00 H new ATOM 499 N GLU A 39 -0.246 1.500 1.315 1.00 0.00 N ATOM 500 CA GLU A 39 -1.263 1.925 0.354 1.00 0.00 C ATOM 501 C GLU A 39 -1.204 3.431 0.119 1.00 0.00 C ATOM 502 O GLU A 39 -1.646 3.924 -0.919 1.00 0.00 O ATOM 503 CB GLU A 39 -2.651 1.524 0.850 1.00 0.00 C ATOM 504 CG GLU A 39 -2.831 0.021 0.980 1.00 0.00 C ATOM 505 CD GLU A 39 -2.622 -0.469 2.398 1.00 0.00 C ATOM 506 OE1 GLU A 39 -1.454 -0.545 2.833 1.00 0.00 O ATOM 507 OE2 GLU A 39 -3.626 -0.774 3.075 1.00 0.00 O ATOM 0 H GLU A 39 -0.616 0.972 2.106 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.063 1.427 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.832 1.990 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.402 1.915 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.833 -0.251 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.128 -0.484 0.317 1.00 0.00 H new ATOM 514 N ARG A 40 -0.656 4.157 1.088 1.00 0.00 N ATOM 515 CA ARG A 40 -0.541 5.605 0.986 1.00 0.00 C ATOM 516 C ARG A 40 0.513 6.017 -0.042 1.00 0.00 C ATOM 517 O ARG A 40 0.649 7.197 -0.364 1.00 0.00 O ATOM 518 CB ARG A 40 -0.204 6.209 2.350 1.00 0.00 C ATOM 519 CG ARG A 40 -1.164 5.792 3.454 1.00 0.00 C ATOM 520 CD ARG A 40 -1.899 6.986 4.042 1.00 0.00 C ATOM 521 NE ARG A 40 -3.307 6.692 4.297 1.00 0.00 N ATOM 522 CZ ARG A 40 -4.079 7.411 5.108 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.586 8.466 5.745 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.350 7.075 5.283 1.00 0.00 N ATOM 0 H ARG A 40 -0.285 3.765 1.953 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.505 5.988 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.808 5.914 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.208 7.296 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.887 5.079 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.612 5.281 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.417 7.286 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.823 7.831 3.358 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.723 5.889 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.610 8.730 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.184 9.013 6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.735 6.266 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.942 7.626 5.905 1.00 0.00 H new ATOM 538 N HIS A 41 1.253 5.041 -0.553 1.00 0.00 N ATOM 539 CA HIS A 41 2.291 5.304 -1.545 1.00 0.00 C ATOM 540 C HIS A 41 1.793 5.003 -2.951 1.00 0.00 C ATOM 541 O HIS A 41 2.158 5.682 -3.905 1.00 0.00 O ATOM 542 CB HIS A 41 3.526 4.456 -1.262 1.00 0.00 C ATOM 543 CG HIS A 41 4.255 4.841 -0.015 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.125 5.906 0.056 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.241 4.289 1.216 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.615 5.987 1.280 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.089 5.020 2.006 1.00 0.00 N ATOM 0 H HIS A 41 1.154 4.059 -0.297 1.00 0.00 H new ATOM 0 HA HIS A 41 2.549 6.361 -1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.227 3.410 -1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.209 4.533 -2.108 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.355 6.533 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.666 3.428 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.326 6.721 1.628 1.00 0.00 H new ATOM 556 N LEU A 42 0.965 3.974 -3.074 1.00 0.00 N ATOM 557 CA LEU A 42 0.428 3.577 -4.355 1.00 0.00 C ATOM 558 C LEU A 42 -0.237 4.738 -5.066 1.00 0.00 C ATOM 559 O LEU A 42 -1.022 5.480 -4.476 1.00 0.00 O ATOM 560 CB LEU A 42 -0.598 2.473 -4.148 1.00 0.00 C ATOM 561 CG LEU A 42 -0.115 1.046 -4.399 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.308 0.175 -4.728 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.895 1.000 -5.536 1.00 0.00 C ATOM 0 H LEU A 42 0.653 3.399 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 42 1.255 3.225 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.965 2.535 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.447 2.667 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 42 0.380 0.677 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.974 -0.847 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.007 0.185 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.803 0.558 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.221 -0.028 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.433 1.376 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.756 1.619 -5.283 1.00 0.00 H new ATOM 575 N SER A 43 0.051 4.857 -6.353 1.00 0.00 N ATOM 576 CA SER A 43 -0.557 5.890 -7.158 1.00 0.00 C ATOM 577 C SER A 43 -1.983 5.494 -7.463 1.00 0.00 C ATOM 578 O SER A 43 -2.353 4.325 -7.343 1.00 0.00 O ATOM 579 CB SER A 43 0.203 6.103 -8.458 1.00 0.00 C ATOM 580 OG SER A 43 0.637 7.446 -8.591 1.00 0.00 O ATOM 0 H SER A 43 0.700 4.251 -6.855 1.00 0.00 H new ATOM 0 HA SER A 43 -0.531 6.826 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.064 5.436 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.436 5.840 -9.301 1.00 0.00 H new ATOM 0 HG SER A 43 -0.126 8.049 -8.475 1.00 0.00 H new ATOM 586 N ALA A 44 -2.778 6.458 -7.859 1.00 0.00 N ATOM 587 CA ALA A 44 -4.168 6.193 -8.186 1.00 0.00 C ATOM 588 C ALA A 44 -4.263 5.155 -9.291 1.00 0.00 C ATOM 589 O ALA A 44 -5.205 4.363 -9.343 1.00 0.00 O ATOM 590 CB ALA A 44 -4.862 7.474 -8.607 1.00 0.00 C ATOM 0 H ALA A 44 -2.493 7.432 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.665 5.802 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.903 7.261 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.820 8.196 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.363 7.887 -9.483 1.00 0.00 H new ATOM 596 N GLU A 45 -3.269 5.161 -10.165 1.00 0.00 N ATOM 597 CA GLU A 45 -3.205 4.235 -11.260 1.00 0.00 C ATOM 598 C GLU A 45 -2.829 2.856 -10.741 1.00 0.00 C ATOM 599 O GLU A 45 -3.190 1.839 -11.333 1.00 0.00 O ATOM 600 CB GLU A 45 -2.184 4.730 -12.291 1.00 0.00 C ATOM 601 CG GLU A 45 -1.358 3.630 -12.935 1.00 0.00 C ATOM 602 CD GLU A 45 -0.779 4.041 -14.275 1.00 0.00 C ATOM 603 OE1 GLU A 45 -1.471 4.765 -15.022 1.00 0.00 O ATOM 604 OE2 GLU A 45 0.363 3.638 -14.577 1.00 0.00 O ATOM 0 H GLU A 45 -2.487 5.814 -10.126 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.179 4.166 -11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.711 5.277 -13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.510 5.437 -11.807 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.546 3.350 -12.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.980 2.745 -13.069 1.00 0.00 H new ATOM 611 N ASP A 46 -2.094 2.829 -9.631 1.00 0.00 N ATOM 612 CA ASP A 46 -1.674 1.579 -9.054 1.00 0.00 C ATOM 613 C ASP A 46 -2.717 1.022 -8.109 1.00 0.00 C ATOM 614 O ASP A 46 -3.004 -0.166 -8.149 1.00 0.00 O ATOM 615 CB ASP A 46 -0.339 1.710 -8.323 1.00 0.00 C ATOM 616 CG ASP A 46 0.818 1.971 -9.267 1.00 0.00 C ATOM 617 OD1 ASP A 46 1.231 1.027 -9.974 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.310 3.118 -9.300 1.00 0.00 O ATOM 0 H ASP A 46 -1.785 3.659 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.547 0.885 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.403 2.522 -7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.146 0.797 -7.761 1.00 0.00 H new ATOM 623 N PHE A 47 -3.294 1.867 -7.259 1.00 0.00 N ATOM 624 CA PHE A 47 -4.306 1.386 -6.334 1.00 0.00 C ATOM 625 C PHE A 47 -5.448 0.759 -7.107 1.00 0.00 C ATOM 626 O PHE A 47 -5.839 -0.383 -6.872 1.00 0.00 O ATOM 627 CB PHE A 47 -4.829 2.514 -5.451 1.00 0.00 C ATOM 628 CG PHE A 47 -5.871 2.038 -4.492 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.190 1.918 -4.894 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.528 1.682 -3.201 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.151 1.451 -4.023 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.482 1.217 -2.324 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.798 1.100 -2.737 1.00 0.00 C ATOM 0 H PHE A 47 -3.083 2.863 -7.194 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.850 0.637 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.000 2.954 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.247 3.301 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.469 2.193 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.501 1.770 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.177 1.360 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.204 0.944 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.548 0.734 -2.052 1.00 0.00 H new ATOM 643 N SER A 48 -5.964 1.533 -8.030 1.00 0.00 N ATOM 644 CA SER A 48 -7.066 1.106 -8.880 1.00 0.00 C ATOM 645 C SER A 48 -6.733 -0.179 -9.624 1.00 0.00 C ATOM 646 O SER A 48 -7.616 -0.981 -9.926 1.00 0.00 O ATOM 647 CB SER A 48 -7.437 2.209 -9.873 1.00 0.00 C ATOM 648 OG SER A 48 -8.365 3.116 -9.304 1.00 0.00 O ATOM 0 H SER A 48 -5.636 2.480 -8.219 1.00 0.00 H new ATOM 0 HA SER A 48 -7.921 0.908 -8.234 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.539 2.746 -10.177 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.863 1.765 -10.773 1.00 0.00 H new ATOM 0 HG SER A 48 -8.757 2.720 -8.498 1.00 0.00 H new ATOM 654 N ARG A 49 -5.460 -0.364 -9.918 1.00 0.00 N ATOM 655 CA ARG A 49 -5.006 -1.544 -10.626 1.00 0.00 C ATOM 656 C ARG A 49 -4.545 -2.630 -9.662 1.00 0.00 C ATOM 657 O ARG A 49 -4.428 -3.800 -10.029 1.00 0.00 O ATOM 658 CB ARG A 49 -3.874 -1.185 -11.587 1.00 0.00 C ATOM 659 CG ARG A 49 -4.343 -0.474 -12.845 1.00 0.00 C ATOM 660 CD ARG A 49 -3.233 -0.382 -13.880 1.00 0.00 C ATOM 661 NE ARG A 49 -3.335 0.832 -14.686 1.00 0.00 N ATOM 662 CZ ARG A 49 -4.218 0.997 -15.669 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.074 0.028 -15.971 1.00 0.00 N ATOM 664 NH2 ARG A 49 -4.244 2.133 -16.351 1.00 0.00 N ATOM 0 H ARG A 49 -4.718 0.293 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.850 -1.933 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.156 -0.550 -11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.347 -2.096 -11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.194 -1.007 -13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.689 0.528 -12.591 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.266 -0.403 -13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.272 -1.254 -14.532 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.692 1.598 -14.484 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.057 -0.848 -15.449 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.748 0.160 -16.725 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.588 2.880 -16.123 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.920 2.260 -17.104 1.00 0.00 H new ATOM 678 N VAL A 50 -4.260 -2.220 -8.440 1.00 0.00 N ATOM 679 CA VAL A 50 -3.780 -3.115 -7.409 1.00 0.00 C ATOM 680 C VAL A 50 -4.918 -3.731 -6.605 1.00 0.00 C ATOM 681 O VAL A 50 -4.922 -4.934 -6.343 1.00 0.00 O ATOM 682 CB VAL A 50 -2.820 -2.362 -6.466 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.687 -3.027 -5.105 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.461 -2.246 -7.118 1.00 0.00 C ATOM 0 H VAL A 50 -4.356 -1.251 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.251 -3.929 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.244 -1.373 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.999 -2.452 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.664 -3.067 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.303 -4.039 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.782 -1.714 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.067 -3.242 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.553 -1.698 -8.056 1.00 0.00 H new ATOM 694 N PHE A 51 -5.869 -2.903 -6.194 1.00 0.00 N ATOM 695 CA PHE A 51 -6.986 -3.377 -5.399 1.00 0.00 C ATOM 696 C PHE A 51 -8.295 -3.334 -6.181 1.00 0.00 C ATOM 697 O PHE A 51 -9.358 -3.632 -5.639 1.00 0.00 O ATOM 698 CB PHE A 51 -7.117 -2.537 -4.130 1.00 0.00 C ATOM 699 CG PHE A 51 -5.866 -2.499 -3.306 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.538 -3.561 -2.483 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.016 -1.402 -3.354 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.389 -3.534 -1.721 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.865 -1.369 -2.591 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.550 -2.437 -1.771 1.00 0.00 C ATOM 0 H PHE A 51 -5.887 -1.904 -6.399 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.786 -4.416 -5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.393 -1.519 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.930 -2.935 -3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.189 -4.421 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.257 -0.566 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.144 -4.371 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.212 -0.510 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.652 -2.414 -1.172 1.00 0.00 H new ATOM 714 N ALA A 52 -8.216 -2.968 -7.457 1.00 0.00 N ATOM 715 CA ALA A 52 -9.395 -2.896 -8.299 1.00 0.00 C ATOM 716 C ALA A 52 -10.467 -2.019 -7.663 1.00 0.00 C ATOM 717 O ALA A 52 -11.656 -2.338 -7.699 1.00 0.00 O ATOM 718 CB ALA A 52 -9.901 -4.296 -8.547 1.00 0.00 C ATOM 0 H ALA A 52 -7.346 -2.718 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.136 -2.436 -9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.788 -4.256 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.127 -4.880 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.154 -4.765 -7.596 1.00 0.00 H new ATOM 724 N MET A 53 -10.026 -0.909 -7.083 1.00 0.00 N ATOM 725 CA MET A 53 -10.918 0.034 -6.433 1.00 0.00 C ATOM 726 C MET A 53 -10.416 1.458 -6.622 1.00 0.00 C ATOM 727 O MET A 53 -9.282 1.674 -7.035 1.00 0.00 O ATOM 728 CB MET A 53 -11.024 -0.273 -4.938 1.00 0.00 C ATOM 729 CG MET A 53 -12.209 -1.147 -4.568 1.00 0.00 C ATOM 730 SD MET A 53 -11.724 -2.828 -4.130 1.00 0.00 S ATOM 731 CE MET A 53 -10.472 -2.510 -2.890 1.00 0.00 C ATOM 0 H MET A 53 -9.042 -0.641 -7.052 1.00 0.00 H new ATOM 0 HA MET A 53 -11.903 -0.062 -6.889 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.107 -0.765 -4.613 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.093 0.666 -4.389 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.740 -0.696 -3.730 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.906 -1.181 -5.405 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.076 -3.456 -2.522 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.664 -1.925 -3.330 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.913 -1.955 -2.062 1.00 0.00 H new ATOM 741 N SER A 54 -11.253 2.432 -6.296 1.00 0.00 N ATOM 742 CA SER A 54 -10.868 3.821 -6.415 1.00 0.00 C ATOM 743 C SER A 54 -10.033 4.221 -5.213 1.00 0.00 C ATOM 744 O SER A 54 -10.406 3.946 -4.077 1.00 0.00 O ATOM 745 CB SER A 54 -12.105 4.714 -6.522 1.00 0.00 C ATOM 746 OG SER A 54 -13.034 4.425 -5.492 1.00 0.00 O ATOM 0 H SER A 54 -12.200 2.282 -5.948 1.00 0.00 H new ATOM 0 HA SER A 54 -10.277 3.948 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.807 5.761 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.578 4.570 -7.493 1.00 0.00 H new ATOM 0 HG SER A 54 -13.877 4.892 -5.671 1.00 0.00 H new ATOM 752 N PRO A 55 -8.888 4.880 -5.432 1.00 0.00 N ATOM 753 CA PRO A 55 -8.015 5.321 -4.350 1.00 0.00 C ATOM 754 C PRO A 55 -8.830 5.845 -3.172 1.00 0.00 C ATOM 755 O PRO A 55 -8.493 5.650 -2.000 1.00 0.00 O ATOM 756 CB PRO A 55 -7.187 6.446 -4.999 1.00 0.00 C ATOM 757 CG PRO A 55 -7.687 6.561 -6.412 1.00 0.00 C ATOM 758 CD PRO A 55 -8.348 5.261 -6.733 1.00 0.00 C ATOM 0 HA PRO A 55 -7.397 4.520 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.315 7.386 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.123 6.210 -4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.390 7.388 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.865 6.759 -7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.129 5.373 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.641 4.525 -7.115 1.00 0.00 H new ATOM 766 N GLU A 56 -9.922 6.495 -3.522 1.00 0.00 N ATOM 767 CA GLU A 56 -10.843 7.057 -2.572 1.00 0.00 C ATOM 768 C GLU A 56 -11.597 5.970 -1.831 1.00 0.00 C ATOM 769 O GLU A 56 -11.780 6.046 -0.618 1.00 0.00 O ATOM 770 CB GLU A 56 -11.833 7.953 -3.298 1.00 0.00 C ATOM 771 CG GLU A 56 -12.361 7.379 -4.604 1.00 0.00 C ATOM 772 CD GLU A 56 -13.524 8.176 -5.162 1.00 0.00 C ATOM 773 OE1 GLU A 56 -13.302 9.325 -5.597 1.00 0.00 O ATOM 774 OE2 GLU A 56 -14.657 7.652 -5.162 1.00 0.00 O ATOM 0 H GLU A 56 -10.193 6.647 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.275 7.637 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.676 8.153 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.355 8.911 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.556 7.355 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.676 6.348 -4.443 1.00 0.00 H new ATOM 781 N GLU A 57 -12.031 4.952 -2.570 1.00 0.00 N ATOM 782 CA GLU A 57 -12.753 3.841 -1.988 1.00 0.00 C ATOM 783 C GLU A 57 -12.054 3.411 -0.719 1.00 0.00 C ATOM 784 O GLU A 57 -12.674 3.167 0.314 1.00 0.00 O ATOM 785 CB GLU A 57 -12.836 2.690 -2.986 1.00 0.00 C ATOM 786 CG GLU A 57 -14.166 2.609 -3.716 1.00 0.00 C ATOM 787 CD GLU A 57 -15.198 1.798 -2.959 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.336 2.008 -1.735 1.00 0.00 O ATOM 789 OE2 GLU A 57 -15.868 0.953 -3.588 1.00 0.00 O ATOM 0 H GLU A 57 -11.891 4.880 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.771 4.145 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.036 2.797 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.663 1.751 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.549 3.616 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.010 2.165 -4.699 1.00 0.00 H new ATOM 796 N PHE A 58 -10.748 3.373 -0.821 1.00 0.00 N ATOM 797 CA PHE A 58 -9.888 3.027 0.293 1.00 0.00 C ATOM 798 C PHE A 58 -9.988 4.088 1.377 1.00 0.00 C ATOM 799 O PHE A 58 -10.115 3.772 2.560 1.00 0.00 O ATOM 800 CB PHE A 58 -8.435 2.896 -0.163 1.00 0.00 C ATOM 801 CG PHE A 58 -7.768 1.661 0.362 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.360 0.425 0.198 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.555 1.733 1.024 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.761 -0.716 0.681 1.00 0.00 C ATOM 805 CE2 PHE A 58 -5.950 0.596 1.509 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.556 -0.628 1.337 1.00 0.00 C ATOM 0 H PHE A 58 -10.245 3.582 -1.683 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.217 2.067 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.401 2.886 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.876 3.772 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.307 0.352 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.078 2.692 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.236 -1.677 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.003 0.664 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.084 -1.521 1.718 1.00 0.00 H new ATOM 816 N GLY A 59 -9.939 5.353 0.964 1.00 0.00 N ATOM 817 CA GLY A 59 -10.034 6.438 1.921 1.00 0.00 C ATOM 818 C GLY A 59 -11.314 6.380 2.736 1.00 0.00 C ATOM 819 O GLY A 59 -11.411 7.009 3.790 1.00 0.00 O ATOM 0 H GLY A 59 -9.836 5.642 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.177 6.402 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.986 7.390 1.393 1.00 0.00 H new ATOM 823 N LYS A 60 -12.302 5.634 2.243 1.00 0.00 N ATOM 824 CA LYS A 60 -13.576 5.512 2.922 1.00 0.00 C ATOM 825 C LYS A 60 -13.699 4.199 3.691 1.00 0.00 C ATOM 826 O LYS A 60 -14.435 4.111 4.674 1.00 0.00 O ATOM 827 CB LYS A 60 -14.727 5.647 1.925 1.00 0.00 C ATOM 828 CG LYS A 60 -15.131 7.087 1.652 1.00 0.00 C ATOM 829 CD LYS A 60 -15.421 7.318 0.177 1.00 0.00 C ATOM 830 CE LYS A 60 -14.199 7.843 -0.557 1.00 0.00 C ATOM 831 NZ LYS A 60 -14.229 9.326 -0.704 1.00 0.00 N ATOM 0 H LYS A 60 -12.237 5.106 1.373 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.630 6.322 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.440 5.175 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.591 5.102 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.015 7.335 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.334 7.757 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.748 6.384 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.241 8.028 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.299 7.551 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.143 7.382 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.377 9.642 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.075 9.605 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.256 9.768 0.237 1.00 0.00 H new ATOM 845 N LEU A 61 -12.985 3.187 3.233 1.00 0.00 N ATOM 846 CA LEU A 61 -13.016 1.874 3.870 1.00 0.00 C ATOM 847 C LEU A 61 -12.621 1.955 5.338 1.00 0.00 C ATOM 848 O LEU A 61 -12.322 3.028 5.861 1.00 0.00 O ATOM 849 CB LEU A 61 -12.075 0.904 3.158 1.00 0.00 C ATOM 850 CG LEU A 61 -12.515 0.460 1.763 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.331 -0.099 0.996 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.619 -0.576 1.858 1.00 0.00 C ATOM 0 H LEU A 61 -12.373 3.245 2.419 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.041 1.511 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.093 1.371 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.957 0.018 3.781 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.903 1.327 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.655 -0.412 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.563 0.669 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.922 -0.956 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.920 -0.880 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.256 -1.445 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.475 -0.148 2.379 1.00 0.00 H new ATOM 864 N ALA A 62 -12.606 0.798 5.982 1.00 0.00 N ATOM 865 CA ALA A 62 -12.227 0.695 7.386 1.00 0.00 C ATOM 866 C ALA A 62 -10.763 0.313 7.502 1.00 0.00 C ATOM 867 O ALA A 62 -10.034 0.322 6.511 1.00 0.00 O ATOM 868 CB ALA A 62 -13.099 -0.329 8.105 1.00 0.00 C ATOM 0 H ALA A 62 -12.854 -0.092 5.551 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.378 1.665 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.800 -0.391 9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.144 -0.024 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.977 -1.305 7.635 1.00 0.00 H new ATOM 874 N LEU A 63 -10.334 -0.034 8.706 1.00 0.00 N ATOM 875 CA LEU A 63 -8.951 -0.433 8.924 1.00 0.00 C ATOM 876 C LEU A 63 -8.779 -1.922 8.674 1.00 0.00 C ATOM 877 O LEU A 63 -7.694 -2.396 8.331 1.00 0.00 O ATOM 878 CB LEU A 63 -8.504 -0.077 10.346 1.00 0.00 C ATOM 879 CG LEU A 63 -7.269 0.822 10.429 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.077 0.157 9.761 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.552 2.175 9.794 1.00 0.00 C ATOM 0 H LEU A 63 -10.918 -0.048 9.542 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.324 0.112 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.330 0.417 10.857 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.300 -1.000 10.889 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.028 0.979 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.209 0.812 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.860 -0.787 10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.306 -0.032 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.663 2.802 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.819 2.036 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.377 2.658 10.318 1.00 0.00 H new ATOM 893 N TRP A 64 -9.864 -2.647 8.853 1.00 0.00 N ATOM 894 CA TRP A 64 -9.877 -4.077 8.669 1.00 0.00 C ATOM 895 C TRP A 64 -10.017 -4.451 7.199 1.00 0.00 C ATOM 896 O TRP A 64 -9.189 -5.186 6.659 1.00 0.00 O ATOM 897 CB TRP A 64 -11.012 -4.691 9.482 1.00 0.00 C ATOM 898 CG TRP A 64 -12.347 -4.067 9.203 1.00 0.00 C ATOM 899 CD1 TRP A 64 -12.876 -2.950 9.783 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.319 -4.525 8.263 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.128 -2.704 9.266 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.419 -3.658 8.337 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.362 -5.589 7.372 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.553 -3.826 7.553 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.486 -5.758 6.588 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.571 -4.878 6.688 1.00 0.00 C ATOM 0 H TRP A 64 -10.764 -2.256 9.131 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.924 -4.473 9.020 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.066 -5.759 9.269 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.786 -4.589 10.543 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.386 -2.349 10.535 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.739 -1.933 9.535 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.530 -6.273 7.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.390 -3.147 7.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.529 -6.580 5.888 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.440 -5.037 6.066 1.00 0.00 H new ATOM 917 N LYS A 65 -11.061 -3.944 6.548 1.00 0.00 N ATOM 918 CA LYS A 65 -11.277 -4.239 5.141 1.00 0.00 C ATOM 919 C LYS A 65 -10.067 -3.784 4.343 1.00 0.00 C ATOM 920 O LYS A 65 -9.647 -4.448 3.396 1.00 0.00 O ATOM 921 CB LYS A 65 -12.569 -3.592 4.609 1.00 0.00 C ATOM 922 CG LYS A 65 -12.903 -2.244 5.211 1.00 0.00 C ATOM 923 CD LYS A 65 -14.263 -1.745 4.732 1.00 0.00 C ATOM 924 CE LYS A 65 -15.206 -1.462 5.889 1.00 0.00 C ATOM 925 NZ LYS A 65 -15.649 -0.040 5.908 1.00 0.00 N ATOM 0 H LYS A 65 -11.761 -3.334 6.970 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.401 -5.316 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.483 -3.479 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.401 -4.272 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.903 -2.319 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.132 -1.522 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.129 -0.837 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.711 -2.489 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.077 -2.113 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.709 -1.700 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.754 0.278 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.941 0.551 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.562 0.046 5.417 1.00 0.00 H new ATOM 939 N ARG A 66 -9.482 -2.669 4.765 1.00 0.00 N ATOM 940 CA ARG A 66 -8.293 -2.147 4.133 1.00 0.00 C ATOM 941 C ARG A 66 -7.156 -3.142 4.307 1.00 0.00 C ATOM 942 O ARG A 66 -6.403 -3.418 3.373 1.00 0.00 O ATOM 943 CB ARG A 66 -7.918 -0.814 4.771 1.00 0.00 C ATOM 944 CG ARG A 66 -8.371 0.396 3.972 1.00 0.00 C ATOM 945 CD ARG A 66 -7.455 1.589 4.197 1.00 0.00 C ATOM 946 NE ARG A 66 -6.051 1.197 4.232 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.064 2.003 4.617 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.323 3.253 4.980 1.00 0.00 N ATOM 949 NH2 ARG A 66 -3.815 1.558 4.638 1.00 0.00 N ATOM 0 H ARG A 66 -9.821 -2.111 5.549 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.479 -1.992 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.355 -0.763 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.836 -0.772 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.390 0.146 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.390 0.660 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.608 2.319 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.719 2.078 5.135 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.811 0.248 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.282 3.600 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.563 3.866 5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.611 0.598 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.059 2.175 4.933 1.00 0.00 H new ATOM 963 N ASN A 67 -7.050 -3.689 5.518 1.00 0.00 N ATOM 964 CA ASN A 67 -6.030 -4.659 5.832 1.00 0.00 C ATOM 965 C ASN A 67 -6.220 -5.915 4.989 1.00 0.00 C ATOM 966 O ASN A 67 -5.266 -6.443 4.416 1.00 0.00 O ATOM 967 CB ASN A 67 -6.098 -4.996 7.317 1.00 0.00 C ATOM 968 CG ASN A 67 -5.073 -4.233 8.134 1.00 0.00 C ATOM 969 OD1 ASN A 67 -3.953 -3.994 7.681 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.455 -3.839 9.343 1.00 0.00 N ATOM 0 H ASN A 67 -7.670 -3.466 6.297 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.049 -4.242 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.097 -4.771 7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.941 -6.066 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.811 -3.316 9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.393 -4.059 9.678 1.00 0.00 H new ATOM 977 N GLU A 68 -7.464 -6.385 4.913 1.00 0.00 N ATOM 978 CA GLU A 68 -7.784 -7.570 4.140 1.00 0.00 C ATOM 979 C GLU A 68 -7.465 -7.357 2.663 1.00 0.00 C ATOM 980 O GLU A 68 -7.258 -8.310 1.914 1.00 0.00 O ATOM 981 CB GLU A 68 -9.259 -7.956 4.355 1.00 0.00 C ATOM 982 CG GLU A 68 -10.060 -8.185 3.077 1.00 0.00 C ATOM 983 CD GLU A 68 -11.328 -8.979 3.320 1.00 0.00 C ATOM 984 OE1 GLU A 68 -11.252 -10.029 3.991 1.00 0.00 O ATOM 985 OE2 GLU A 68 -12.398 -8.549 2.840 1.00 0.00 O ATOM 0 H GLU A 68 -8.264 -5.958 5.380 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.165 -8.397 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.297 -8.864 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.744 -7.170 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.317 -7.222 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.439 -8.712 2.352 1.00 0.00 H new ATOM 992 N LEU A 69 -7.426 -6.097 2.261 1.00 0.00 N ATOM 993 CA LEU A 69 -7.131 -5.734 0.880 1.00 0.00 C ATOM 994 C LEU A 69 -5.638 -5.548 0.668 1.00 0.00 C ATOM 995 O LEU A 69 -5.044 -6.166 -0.213 1.00 0.00 O ATOM 996 CB LEU A 69 -7.872 -4.453 0.509 1.00 0.00 C ATOM 997 CG LEU A 69 -9.377 -4.623 0.363 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.046 -3.290 0.066 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.680 -5.639 -0.725 1.00 0.00 C ATOM 0 H LEU A 69 -7.596 -5.301 2.876 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.467 -6.547 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.675 -3.699 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.468 -4.072 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.781 -4.992 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.121 -3.437 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.849 -2.594 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.648 -2.882 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.759 -5.755 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.264 -5.293 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.234 -6.598 -0.461 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.035 -4.693 1.483 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.613 -4.424 1.393 1.00 0.00 C ATOM 1013 C LYS A 70 -2.819 -5.723 1.317 1.00 0.00 C ATOM 1014 O LYS A 70 -1.743 -5.771 0.722 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.188 -3.571 2.589 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.689 -4.362 3.788 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.609 -3.493 5.033 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.586 -2.378 4.875 1.00 0.00 C ATOM 1019 NZ LYS A 70 -0.670 -2.295 6.047 1.00 0.00 N ATOM 0 H LYS A 70 -5.515 -4.173 2.217 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.403 -3.871 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.402 -2.887 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.035 -2.960 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.356 -5.204 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.705 -4.776 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.589 -3.062 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.345 -4.110 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.003 -2.546 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.103 -1.426 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.267 -1.970 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.055 -1.624 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.581 -3.234 6.485 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.367 -6.777 1.907 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.716 -8.073 1.885 1.00 0.00 C ATOM 1035 C LYS A 71 -2.750 -8.655 0.486 1.00 0.00 C ATOM 1036 O LYS A 71 -1.804 -9.309 0.048 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.370 -9.031 2.885 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.487 -9.365 4.076 1.00 0.00 C ATOM 1039 CD LYS A 71 -3.255 -10.131 5.141 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.239 -9.232 5.873 1.00 0.00 C ATOM 1041 NZ LYS A 71 -5.478 -9.964 6.258 1.00 0.00 N ATOM 0 H LYS A 71 -4.257 -6.757 2.404 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.675 -7.939 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.299 -8.588 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.636 -9.954 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.635 -9.958 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.088 -8.445 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.792 -10.960 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.555 -10.564 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.765 -8.826 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.500 -8.386 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.123 -9.317 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.945 -10.330 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.232 -10.757 6.885 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.834 -8.389 -0.216 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.985 -8.857 -1.577 1.00 0.00 C ATOM 1057 C LYS A 72 -2.901 -8.250 -2.446 1.00 0.00 C ATOM 1058 O LYS A 72 -2.398 -8.878 -3.378 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.372 -8.517 -2.124 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.354 -9.672 -2.034 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.185 -9.598 -0.764 1.00 0.00 C ATOM 1062 CE LYS A 72 -8.316 -8.592 -0.896 1.00 0.00 C ATOM 1063 NZ LYS A 72 -9.547 -9.211 -1.464 1.00 0.00 N ATOM 0 H LYS A 72 -4.625 -7.849 0.136 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.884 -9.942 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.773 -7.665 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.279 -8.209 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.013 -9.660 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.810 -10.616 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.596 -10.582 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.546 -9.321 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.541 -8.168 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.996 -7.768 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.295 -8.492 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.339 -9.593 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.867 -9.981 -0.842 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.538 -7.023 -2.111 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.503 -6.307 -2.821 1.00 0.00 C ATOM 1079 C ALA A 73 -0.133 -6.577 -2.201 1.00 0.00 C ATOM 1080 O ALA A 73 0.898 -6.274 -2.804 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.804 -4.818 -2.825 1.00 0.00 C ATOM 0 H ALA A 73 -2.954 -6.500 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.483 -6.662 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.017 -4.289 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.761 -4.642 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.850 -4.453 -1.799 1.00 0.00 H new ATOM 1087 N SER A 74 -0.125 -7.144 -0.988 1.00 0.00 N ATOM 1088 CA SER A 74 1.119 -7.448 -0.286 1.00 0.00 C ATOM 1089 C SER A 74 1.716 -6.189 0.335 1.00 0.00 C ATOM 1090 O SER A 74 2.874 -6.178 0.749 1.00 0.00 O ATOM 1091 CB SER A 74 2.134 -8.098 -1.232 1.00 0.00 C ATOM 1092 OG SER A 74 1.483 -8.864 -2.230 1.00 0.00 O ATOM 0 H SER A 74 -0.969 -7.400 -0.476 1.00 0.00 H new ATOM 0 HA SER A 74 0.886 -8.152 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.744 -7.326 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.810 -8.736 -0.663 1.00 0.00 H new ATOM 0 HG SER A 74 2.091 -8.999 -2.987 1.00 0.00 H new ATOM 1098 N LEU A 75 0.913 -5.130 0.405 1.00 0.00 N ATOM 1099 CA LEU A 75 1.358 -3.871 0.984 1.00 0.00 C ATOM 1100 C LEU A 75 1.246 -3.903 2.508 1.00 0.00 C ATOM 1101 O LEU A 75 1.665 -2.969 3.191 1.00 0.00 O ATOM 1102 CB LEU A 75 0.536 -2.710 0.413 1.00 0.00 C ATOM 1103 CG LEU A 75 0.510 -2.619 -1.117 1.00 0.00 C ATOM 1104 CD1 LEU A 75 0.160 -1.207 -1.566 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.846 -3.049 -1.701 1.00 0.00 C ATOM 0 H LEU A 75 -0.049 -5.122 0.067 1.00 0.00 H new ATOM 0 HA LEU A 75 2.406 -3.724 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.489 -2.800 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.932 -1.775 0.810 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.260 -3.296 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.147 -1.164 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.823 -0.936 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.905 -0.509 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.808 -2.978 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.635 -2.399 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.055 -4.079 -1.412 1.00 0.00 H new ATOM 1117 N PHE A 76 0.678 -4.987 3.034 1.00 0.00 N ATOM 1118 CA PHE A 76 0.512 -5.147 4.470 1.00 0.00 C ATOM 1119 C PHE A 76 1.863 -5.217 5.172 1.00 0.00 C ATOM 1120 O PHE A 76 2.158 -4.312 5.981 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.304 -6.408 4.772 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.040 -6.351 6.083 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.364 -6.074 7.261 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.407 -6.579 6.137 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.037 -6.023 8.466 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.083 -6.530 7.340 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.398 -6.252 8.506 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.618 -6.177 4.907 1.00 0.00 O ATOM 0 H PHE A 76 0.325 -5.768 2.481 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.025 -4.277 4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.023 -6.566 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.363 -7.270 4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.701 -5.896 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.949 -6.797 5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.499 -5.804 9.376 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.148 -6.709 7.369 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.926 -6.214 9.448 1.00 0.00 H new TER 1138 PHE A 76