USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 GLN : amide:sc= -0.0938 K(o=-0.13,f=-2) USER MOD Set 1.2: A 42 MET CE :methyl -131:sc= -0.04 (180deg=-2.04) USER MOD Set 2.1: A 21 HIS : no HE2:sc= -2.31! X(o=-2.1!,f=-1.8) USER MOD Set 2.2: A 89 GLN : amide:sc= 0.202 K(o=-2.1,f=-4.4) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.213 (180deg=-0.963) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.313 (180deg=-1.66) USER MOD Single : A 2 THR OG1 : rot -44:sc= 0.731 USER MOD Single : A 3 THR OG1 : rot -147:sc= 1.21 USER MOD Single : A 4 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-2.3) USER MOD Single : A 10 GLN : amide:sc= 0.849 K(o=0.85,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 23 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5.2!) USER MOD Single : A 26 ASN : amide:sc= 0.0453 X(o=0.045,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.853 K(o=-0.85,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.056) USER MOD Single : A 33 GLN : amide:sc= 0.708 K(o=0.71,f=-5.7!) USER MOD Single : A 35 ASN : amide:sc= -1.75! C(o=-1.7!,f=-4.7!) USER MOD Single : A 36 SER OG : rot 56:sc= -0.347 USER MOD Single : A 37 THR OG1 : rot -42:sc= 1.08 USER MOD Single : A 44 THR OG1 : rot 175:sc= 0.802 USER MOD Single : A 45 MET CE :methyl 157:sc= -0.19 (180deg=-0.905) USER MOD Single : A 52 GLN : amide:sc= 1.16 K(o=1.2,f=-0.94) USER MOD Single : A 59 MET CE :methyl 179:sc= 0 (180deg=-0.000569) USER MOD Single : A 60 HIS : no HD1:sc= -1.63! K(o=-1.6!,f=0.33) USER MOD Single : A 65 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc=-0.000168 (180deg=-0.039) USER MOD Single : A 67 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.23) USER MOD Single : A 78 TYR OH : rot 167:sc= 1.49 USER MOD Single : A 79 TYR OH : rot 97:sc= -0.546 USER MOD Single : A 81 MET CE :methyl -125:sc= -2.21 (180deg=-3.01!) USER MOD Single : A 85 THR OG1 : rot -40:sc= 0.0776 USER MOD Single : A 87 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0.913) USER MOD Single : A 109 SER OG : rot -14:sc= 0.238 USER MOD Single : A 112 HIS : no HE2:sc= 0.408 K(o=0.41,f=-1.4) USER MOD Single : A 113 HIS : no HE2:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 114 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.04) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.00023) USER MOD Single : A 117 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.372 4.415 4.706 1.00 0.00 N ATOM 2 CA MET A 1 -17.543 3.707 5.272 1.00 0.00 C ATOM 3 C MET A 1 -17.167 2.272 5.606 1.00 0.00 C ATOM 4 O MET A 1 -17.272 1.835 6.750 1.00 0.00 O ATOM 5 CB MET A 1 -18.700 3.727 4.269 1.00 0.00 C ATOM 6 CG MET A 1 -19.161 5.127 3.901 1.00 0.00 C ATOM 7 SD MET A 1 -20.391 5.138 2.584 1.00 0.00 S ATOM 8 CE MET A 1 -19.450 4.411 1.242 1.00 0.00 C ATOM 0 H1 MET A 1 -16.259 5.334 5.180 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.516 3.842 4.852 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.517 4.567 3.687 1.00 0.00 H new ATOM 0 HA MET A 1 -17.858 4.212 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.394 3.204 3.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.542 3.174 4.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.578 5.611 4.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.299 5.718 3.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.908 4.678 0.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.427 4.786 1.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.442 3.326 1.349 1.00 0.00 H new ATOM 20 N THR A 2 -16.717 1.551 4.594 1.00 0.00 N ATOM 21 CA THR A 2 -16.279 0.179 4.755 1.00 0.00 C ATOM 22 C THR A 2 -14.763 0.121 4.896 1.00 0.00 C ATOM 23 O THR A 2 -14.082 1.147 4.811 1.00 0.00 O ATOM 24 CB THR A 2 -16.709 -0.677 3.545 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.205 -0.106 2.324 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.227 -0.788 3.470 1.00 0.00 C ATOM 0 H THR A 2 -16.646 1.902 3.639 1.00 0.00 H new ATOM 0 HA THR A 2 -16.744 -0.219 5.657 1.00 0.00 H new ATOM 0 HB THR A 2 -16.292 -1.676 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.344 0.864 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.505 -1.396 2.609 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.603 -1.255 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.660 0.207 3.367 1.00 0.00 H new ATOM 34 N THR A 3 -14.237 -1.077 5.100 1.00 0.00 N ATOM 35 CA THR A 3 -12.802 -1.277 5.163 1.00 0.00 C ATOM 36 C THR A 3 -12.167 -0.926 3.825 1.00 0.00 C ATOM 37 O THR A 3 -11.063 -0.384 3.765 1.00 0.00 O ATOM 38 CB THR A 3 -12.469 -2.735 5.515 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.185 -3.117 6.697 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.972 -2.909 5.734 1.00 0.00 C ATOM 0 H THR A 3 -14.787 -1.927 5.225 1.00 0.00 H new ATOM 0 HA THR A 3 -12.403 -0.626 5.941 1.00 0.00 H new ATOM 0 HB THR A 3 -12.769 -3.374 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.648 -3.754 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.759 -3.949 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.437 -2.636 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.647 -2.267 6.553 1.00 0.00 H new ATOM 48 N HIS A 4 -12.895 -1.211 2.751 1.00 0.00 N ATOM 49 CA HIS A 4 -12.410 -0.951 1.403 1.00 0.00 C ATOM 50 C HIS A 4 -12.186 0.546 1.199 1.00 0.00 C ATOM 51 O HIS A 4 -11.254 0.953 0.509 1.00 0.00 O ATOM 52 CB HIS A 4 -13.393 -1.499 0.364 1.00 0.00 C ATOM 53 CG HIS A 4 -13.663 -2.969 0.516 1.00 0.00 C ATOM 54 ND1 HIS A 4 -14.930 -3.501 0.537 1.00 0.00 N ATOM 55 CD2 HIS A 4 -12.818 -4.018 0.665 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.855 -4.809 0.699 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.584 -5.153 0.781 1.00 0.00 N ATOM 0 H HIS A 4 -13.827 -1.624 2.790 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.456 -1.462 1.272 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.334 -0.954 0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.998 -1.311 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.739 -3.971 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.695 -5.485 0.755 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.230 -6.101 0.909 1.00 0.00 H new ATOM 66 N ASP A 5 -13.028 1.361 1.833 1.00 0.00 N ATOM 67 CA ASP A 5 -12.863 2.813 1.794 1.00 0.00 C ATOM 68 C ASP A 5 -11.587 3.213 2.514 1.00 0.00 C ATOM 69 O ASP A 5 -10.806 4.028 2.026 1.00 0.00 O ATOM 70 CB ASP A 5 -14.039 3.529 2.462 1.00 0.00 C ATOM 71 CG ASP A 5 -15.352 3.329 1.742 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.536 3.920 0.661 1.00 0.00 O ATOM 73 OD2 ASP A 5 -16.218 2.613 2.286 1.00 0.00 O ATOM 0 H ASP A 5 -13.829 1.042 2.378 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.817 3.106 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.137 3.171 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.822 4.596 2.516 1.00 0.00 H new ATOM 78 N ARG A 6 -11.385 2.621 3.684 1.00 0.00 N ATOM 79 CA ARG A 6 -10.244 2.943 4.528 1.00 0.00 C ATOM 80 C ARG A 6 -8.935 2.542 3.857 1.00 0.00 C ATOM 81 O ARG A 6 -7.940 3.257 3.953 1.00 0.00 O ATOM 82 CB ARG A 6 -10.402 2.267 5.891 1.00 0.00 C ATOM 83 CG ARG A 6 -11.587 2.808 6.675 1.00 0.00 C ATOM 84 CD ARG A 6 -11.848 2.025 7.951 1.00 0.00 C ATOM 85 NE ARG A 6 -12.959 2.604 8.707 1.00 0.00 N ATOM 86 CZ ARG A 6 -14.051 1.932 9.075 1.00 0.00 C ATOM 87 NH1 ARG A 6 -14.144 0.627 8.853 1.00 0.00 N ATOM 88 NH2 ARG A 6 -15.039 2.570 9.691 1.00 0.00 N ATOM 0 H ARG A 6 -12.004 1.909 4.072 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.210 4.022 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.524 1.193 5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.491 2.410 6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.406 3.853 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.477 2.780 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.073 0.987 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.949 2.018 8.567 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.894 3.587 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.377 0.131 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.982 0.120 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.961 3.569 9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.876 2.061 9.975 1.00 0.00 H new ATOM 102 N VAL A 7 -8.945 1.413 3.155 1.00 0.00 N ATOM 103 CA VAL A 7 -7.773 0.986 2.400 1.00 0.00 C ATOM 104 C VAL A 7 -7.489 1.970 1.264 1.00 0.00 C ATOM 105 O VAL A 7 -6.337 2.293 0.985 1.00 0.00 O ATOM 106 CB VAL A 7 -7.937 -0.440 1.820 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.679 -0.872 1.080 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.272 -1.439 2.920 1.00 0.00 C ATOM 0 H VAL A 7 -9.744 0.782 3.093 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.934 0.968 3.095 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.764 -0.418 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.818 -1.877 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.483 -0.181 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.833 -0.868 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.382 -2.433 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.469 -1.451 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.205 -1.148 3.404 1.00 0.00 H new ATOM 118 N ARG A 8 -8.551 2.465 0.629 1.00 0.00 N ATOM 119 CA ARG A 8 -8.413 3.438 -0.453 1.00 0.00 C ATOM 120 C ARG A 8 -7.771 4.722 0.065 1.00 0.00 C ATOM 121 O ARG A 8 -6.895 5.301 -0.583 1.00 0.00 O ATOM 122 CB ARG A 8 -9.776 3.754 -1.078 1.00 0.00 C ATOM 123 CG ARG A 8 -9.684 4.633 -2.315 1.00 0.00 C ATOM 124 CD ARG A 8 -11.057 5.025 -2.841 1.00 0.00 C ATOM 125 NE ARG A 8 -11.771 5.915 -1.924 1.00 0.00 N ATOM 126 CZ ARG A 8 -11.944 7.220 -2.132 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.444 7.800 -3.216 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.626 7.942 -1.255 1.00 0.00 N ATOM 0 H ARG A 8 -9.514 2.209 0.845 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.771 3.003 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.272 2.820 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.402 4.249 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.116 5.533 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.135 4.105 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.946 5.516 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.650 4.126 -3.006 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.161 5.511 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.923 7.246 -3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.580 8.799 -3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.017 7.499 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.760 8.941 -1.411 1.00 0.00 H new ATOM 142 N LEU A 9 -8.212 5.157 1.240 1.00 0.00 N ATOM 143 CA LEU A 9 -7.640 6.334 1.887 1.00 0.00 C ATOM 144 C LEU A 9 -6.188 6.069 2.268 1.00 0.00 C ATOM 145 O LEU A 9 -5.322 6.932 2.104 1.00 0.00 O ATOM 146 CB LEU A 9 -8.452 6.703 3.130 1.00 0.00 C ATOM 147 CG LEU A 9 -9.927 7.016 2.870 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.654 7.273 4.178 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.066 8.212 1.939 1.00 0.00 C ATOM 0 H LEU A 9 -8.965 4.712 1.765 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.674 7.169 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.391 5.881 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.990 7.570 3.603 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.381 6.151 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.702 7.494 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.586 6.389 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.197 8.121 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.122 8.418 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.596 9.084 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.580 7.992 0.989 1.00 0.00 H new ATOM 161 N GLN A 10 -5.933 4.862 2.767 1.00 0.00 N ATOM 162 CA GLN A 10 -4.583 4.421 3.100 1.00 0.00 C ATOM 163 C GLN A 10 -3.670 4.499 1.878 1.00 0.00 C ATOM 164 O GLN A 10 -2.511 4.906 1.980 1.00 0.00 O ATOM 165 CB GLN A 10 -4.624 2.987 3.635 1.00 0.00 C ATOM 166 CG GLN A 10 -3.259 2.366 3.876 1.00 0.00 C ATOM 167 CD GLN A 10 -2.491 3.040 4.990 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.600 2.657 6.149 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.707 4.047 4.643 1.00 0.00 N ATOM 0 H GLN A 10 -6.654 4.165 2.951 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.182 5.081 3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.184 2.977 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.173 2.364 2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.384 1.310 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.675 2.418 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.646 4.333 3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.163 4.538 5.353 1.00 0.00 H new ATOM 178 N LEU A 11 -4.202 4.107 0.726 1.00 0.00 N ATOM 179 CA LEU A 11 -3.458 4.167 -0.525 1.00 0.00 C ATOM 180 C LEU A 11 -3.028 5.598 -0.826 1.00 0.00 C ATOM 181 O LEU A 11 -1.870 5.849 -1.142 1.00 0.00 O ATOM 182 CB LEU A 11 -4.303 3.623 -1.682 1.00 0.00 C ATOM 183 CG LEU A 11 -4.704 2.150 -1.568 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.609 1.755 -2.724 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.469 1.262 -1.532 1.00 0.00 C ATOM 0 H LEU A 11 -5.150 3.743 0.633 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.568 3.547 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.209 4.223 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.748 3.760 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.253 2.014 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.885 0.705 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.509 2.370 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.083 1.907 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.773 0.219 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.893 1.402 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.854 1.529 -0.672 1.00 0.00 H new ATOM 197 N GLN A 12 -3.963 6.533 -0.706 1.00 0.00 N ATOM 198 CA GLN A 12 -3.669 7.940 -0.951 1.00 0.00 C ATOM 199 C GLN A 12 -2.681 8.479 0.080 1.00 0.00 C ATOM 200 O GLN A 12 -1.837 9.320 -0.238 1.00 0.00 O ATOM 201 CB GLN A 12 -4.951 8.770 -0.929 1.00 0.00 C ATOM 202 CG GLN A 12 -5.880 8.491 -2.098 1.00 0.00 C ATOM 203 CD GLN A 12 -7.113 9.373 -2.088 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.609 9.763 -1.029 1.00 0.00 O ATOM 205 NE2 GLN A 12 -7.600 9.711 -3.270 1.00 0.00 N ATOM 0 H GLN A 12 -4.929 6.343 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.216 8.019 -1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.484 8.574 0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.688 9.828 -0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.338 8.642 -3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.186 7.445 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.158 9.365 -4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.418 10.318 -3.330 1.00 0.00 H new ATOM 214 N ALA A 13 -2.790 7.992 1.310 1.00 0.00 N ATOM 215 CA ALA A 13 -1.867 8.374 2.370 1.00 0.00 C ATOM 216 C ALA A 13 -0.456 7.896 2.048 1.00 0.00 C ATOM 217 O ALA A 13 0.509 8.650 2.167 1.00 0.00 O ATOM 218 CB ALA A 13 -2.328 7.812 3.706 1.00 0.00 C ATOM 0 H ALA A 13 -3.511 7.330 1.598 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.854 9.462 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.627 8.107 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.318 8.201 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.370 6.724 3.648 1.00 0.00 H new ATOM 224 N LEU A 14 -0.352 6.645 1.618 1.00 0.00 N ATOM 225 CA LEU A 14 0.926 6.073 1.216 1.00 0.00 C ATOM 226 C LEU A 14 1.457 6.794 -0.019 1.00 0.00 C ATOM 227 O LEU A 14 2.649 7.073 -0.123 1.00 0.00 O ATOM 228 CB LEU A 14 0.768 4.576 0.928 1.00 0.00 C ATOM 229 CG LEU A 14 2.051 3.846 0.521 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.085 3.907 1.636 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.745 2.402 0.155 1.00 0.00 C ATOM 0 H LEU A 14 -1.142 6.005 1.539 1.00 0.00 H new ATOM 0 HA LEU A 14 1.640 6.199 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.362 4.093 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.032 4.452 0.134 1.00 0.00 H new ATOM 0 HG LEU A 14 2.466 4.346 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.988 3.382 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.327 4.948 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.682 3.435 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.667 1.896 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.305 1.895 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.044 2.379 -0.679 1.00 0.00 H new ATOM 243 N GLU A 15 0.551 7.096 -0.944 1.00 0.00 N ATOM 244 CA GLU A 15 0.886 7.853 -2.144 1.00 0.00 C ATOM 245 C GLU A 15 1.492 9.202 -1.765 1.00 0.00 C ATOM 246 O GLU A 15 2.536 9.596 -2.285 1.00 0.00 O ATOM 247 CB GLU A 15 -0.370 8.065 -2.989 1.00 0.00 C ATOM 248 CG GLU A 15 -0.112 8.732 -4.326 1.00 0.00 C ATOM 249 CD GLU A 15 -1.392 9.180 -4.994 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.091 8.334 -5.585 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.710 10.385 -4.913 1.00 0.00 O ATOM 0 H GLU A 15 -0.430 6.824 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 15 1.618 7.291 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.845 7.100 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.077 8.671 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.541 9.592 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.415 8.038 -4.981 1.00 0.00 H new ATOM 258 N ALA A 16 0.830 9.897 -0.847 1.00 0.00 N ATOM 259 CA ALA A 16 1.310 11.181 -0.363 1.00 0.00 C ATOM 260 C ALA A 16 2.659 11.019 0.327 1.00 0.00 C ATOM 261 O ALA A 16 3.565 11.826 0.132 1.00 0.00 O ATOM 262 CB ALA A 16 0.299 11.801 0.589 1.00 0.00 C ATOM 0 H ALA A 16 -0.045 9.589 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 16 1.436 11.847 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.674 12.762 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.647 11.950 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.145 11.137 1.439 1.00 0.00 H new ATOM 268 N LEU A 17 2.782 9.956 1.115 1.00 0.00 N ATOM 269 CA LEU A 17 4.017 9.658 1.831 1.00 0.00 C ATOM 270 C LEU A 17 5.170 9.456 0.849 1.00 0.00 C ATOM 271 O LEU A 17 6.247 10.029 1.012 1.00 0.00 O ATOM 272 CB LEU A 17 3.814 8.415 2.714 1.00 0.00 C ATOM 273 CG LEU A 17 4.966 8.053 3.660 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.435 7.285 4.859 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.017 7.218 2.943 1.00 0.00 C ATOM 0 H LEU A 17 2.034 9.281 1.275 1.00 0.00 H new ATOM 0 HA LEU A 17 4.274 10.501 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.915 8.564 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.626 7.561 2.063 1.00 0.00 H new ATOM 0 HG LEU A 17 5.430 8.979 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.261 7.033 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.713 7.901 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.950 6.370 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.823 6.975 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.563 6.297 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.419 7.783 2.102 1.00 0.00 H new ATOM 287 N LEU A 18 4.939 8.652 -0.177 1.00 0.00 N ATOM 288 CA LEU A 18 5.957 8.399 -1.191 1.00 0.00 C ATOM 289 C LEU A 18 6.271 9.673 -1.964 1.00 0.00 C ATOM 290 O LEU A 18 7.418 9.911 -2.358 1.00 0.00 O ATOM 291 CB LEU A 18 5.492 7.298 -2.145 1.00 0.00 C ATOM 292 CG LEU A 18 5.260 5.936 -1.487 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.689 4.952 -2.492 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.554 5.400 -0.891 1.00 0.00 C ATOM 0 H LEU A 18 4.057 8.163 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 18 6.867 8.067 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.566 7.618 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.235 7.183 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 18 4.539 6.063 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.530 3.988 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.739 5.329 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.387 4.831 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.367 4.431 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.299 5.288 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.924 6.096 -0.138 1.00 0.00 H new ATOM 306 N ARG A 19 5.249 10.498 -2.156 1.00 0.00 N ATOM 307 CA ARG A 19 5.414 11.783 -2.817 1.00 0.00 C ATOM 308 C ARG A 19 6.261 12.718 -1.951 1.00 0.00 C ATOM 309 O ARG A 19 7.053 13.504 -2.468 1.00 0.00 O ATOM 310 CB ARG A 19 4.045 12.401 -3.121 1.00 0.00 C ATOM 311 CG ARG A 19 4.105 13.619 -4.026 1.00 0.00 C ATOM 312 CD ARG A 19 2.715 14.074 -4.438 1.00 0.00 C ATOM 313 NE ARG A 19 2.760 15.238 -5.323 1.00 0.00 N ATOM 314 CZ ARG A 19 1.735 15.661 -6.063 1.00 0.00 C ATOM 315 NH1 ARG A 19 0.597 14.976 -6.086 1.00 0.00 N ATOM 316 NH2 ARG A 19 1.864 16.756 -6.805 1.00 0.00 N ATOM 0 H ARG A 19 4.293 10.297 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 19 5.935 11.633 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.412 11.646 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.568 12.682 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.618 14.432 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.691 13.385 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.200 13.256 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.134 14.317 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 19 3.634 15.761 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.505 14.122 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.184 15.304 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.745 17.270 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.082 17.083 -7.372 1.00 0.00 H new ATOM 330 N GLU A 20 6.107 12.608 -0.629 1.00 0.00 N ATOM 331 CA GLU A 20 6.920 13.386 0.309 1.00 0.00 C ATOM 332 C GLU A 20 8.397 13.108 0.089 1.00 0.00 C ATOM 333 O GLU A 20 9.223 14.017 0.104 1.00 0.00 O ATOM 334 CB GLU A 20 6.586 13.048 1.764 1.00 0.00 C ATOM 335 CG GLU A 20 5.177 13.396 2.191 1.00 0.00 C ATOM 336 CD GLU A 20 4.948 13.113 3.660 1.00 0.00 C ATOM 337 OE1 GLU A 20 4.724 11.940 4.021 1.00 0.00 O ATOM 338 OE2 GLU A 20 5.011 14.062 4.468 1.00 0.00 O ATOM 0 H GLU A 20 5.429 11.989 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 20 6.696 14.436 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.744 11.981 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.287 13.572 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.986 14.450 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.465 12.824 1.596 1.00 0.00 H new ATOM 345 N HIS A 21 8.718 11.836 -0.123 1.00 0.00 N ATOM 346 CA HIS A 21 10.104 11.415 -0.283 1.00 0.00 C ATOM 347 C HIS A 21 10.515 11.473 -1.753 1.00 0.00 C ATOM 348 O HIS A 21 11.556 10.940 -2.137 1.00 0.00 O ATOM 349 CB HIS A 21 10.312 10.007 0.289 1.00 0.00 C ATOM 350 CG HIS A 21 9.955 9.897 1.745 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.831 10.183 2.769 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.789 9.558 2.340 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.213 10.026 3.928 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.971 9.648 3.696 1.00 0.00 N ATOM 0 H HIS A 21 8.037 11.079 -0.188 1.00 0.00 H new ATOM 0 HA HIS A 21 10.740 12.103 0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.710 9.299 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.355 9.718 0.155 1.00 0.00 H new ATOM 0 HD1 HIS A 21 11.803 10.470 2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.878 9.268 1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.652 10.182 4.902 1.00 0.00 H new ATOM 363 N GLN A 22 9.675 12.129 -2.557 1.00 0.00 N ATOM 364 CA GLN A 22 9.970 12.436 -3.958 1.00 0.00 C ATOM 365 C GLN A 22 10.283 11.193 -4.793 1.00 0.00 C ATOM 366 O GLN A 22 11.075 11.248 -5.737 1.00 0.00 O ATOM 367 CB GLN A 22 11.119 13.443 -4.036 1.00 0.00 C ATOM 368 CG GLN A 22 10.798 14.753 -3.337 1.00 0.00 C ATOM 369 CD GLN A 22 11.907 15.774 -3.464 1.00 0.00 C ATOM 370 OE1 GLN A 22 13.083 15.427 -3.563 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.538 17.044 -3.453 1.00 0.00 N ATOM 0 H GLN A 22 8.762 12.465 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 22 9.068 12.871 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.011 13.006 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.352 13.642 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.880 15.167 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.608 14.559 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.551 17.288 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.240 17.780 -3.528 1.00 0.00 H new ATOM 380 N HIS A 23 9.638 10.082 -4.470 1.00 0.00 N ATOM 381 CA HIS A 23 9.770 8.872 -5.275 1.00 0.00 C ATOM 382 C HIS A 23 8.674 8.814 -6.327 1.00 0.00 C ATOM 383 O HIS A 23 8.740 8.022 -7.268 1.00 0.00 O ATOM 384 CB HIS A 23 9.725 7.613 -4.409 1.00 0.00 C ATOM 385 CG HIS A 23 11.071 7.155 -3.942 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.770 6.138 -4.553 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.844 7.572 -2.912 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.911 5.947 -3.918 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.984 6.805 -2.917 1.00 0.00 N ATOM 0 H HIS A 23 9.022 9.991 -3.662 1.00 0.00 H new ATOM 0 HA HIS A 23 10.742 8.910 -5.767 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.094 7.803 -3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.254 6.810 -4.976 1.00 0.00 H new ATOM 0 HD1 HIS A 23 11.455 5.614 -5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.608 8.362 -2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.660 5.212 -4.174 1.00 0.00 H new ATOM 398 N TRP A 24 7.671 9.664 -6.159 1.00 0.00 N ATOM 399 CA TRP A 24 6.544 9.711 -7.075 1.00 0.00 C ATOM 400 C TRP A 24 6.995 10.198 -8.448 1.00 0.00 C ATOM 401 O TRP A 24 7.594 11.269 -8.577 1.00 0.00 O ATOM 402 CB TRP A 24 5.447 10.622 -6.513 1.00 0.00 C ATOM 403 CG TRP A 24 4.182 10.609 -7.319 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.689 11.621 -8.091 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.251 9.528 -7.433 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.506 11.235 -8.674 1.00 0.00 N ATOM 407 CE2 TRP A 24 2.217 9.953 -8.287 1.00 0.00 C ATOM 408 CE3 TRP A 24 3.191 8.238 -6.894 1.00 0.00 C ATOM 409 CZ2 TRP A 24 1.138 9.136 -8.617 1.00 0.00 C ATOM 410 CZ3 TRP A 24 2.120 7.428 -7.221 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.105 7.880 -8.075 1.00 0.00 C ATOM 0 H TRP A 24 7.616 10.334 -5.391 1.00 0.00 H new ATOM 0 HA TRP A 24 6.138 8.705 -7.185 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.220 10.316 -5.492 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.825 11.643 -6.463 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.160 12.584 -8.224 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.936 11.810 -9.294 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.968 7.882 -6.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.356 9.481 -9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.064 6.430 -6.812 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.280 7.224 -8.310 1.00 0.00 H new ATOM 422 N ARG A 25 6.721 9.395 -9.464 1.00 0.00 N ATOM 423 CA ARG A 25 7.085 9.726 -10.833 1.00 0.00 C ATOM 424 C ARG A 25 5.839 9.821 -11.692 1.00 0.00 C ATOM 425 O ARG A 25 4.922 9.010 -11.553 1.00 0.00 O ATOM 426 CB ARG A 25 7.997 8.650 -11.432 1.00 0.00 C ATOM 427 CG ARG A 25 9.360 8.521 -10.778 1.00 0.00 C ATOM 428 CD ARG A 25 10.106 7.324 -11.346 1.00 0.00 C ATOM 429 NE ARG A 25 11.449 7.174 -10.788 1.00 0.00 N ATOM 430 CZ ARG A 25 11.731 6.420 -9.728 1.00 0.00 C ATOM 431 NH1 ARG A 25 10.754 5.830 -9.055 1.00 0.00 N ATOM 432 NH2 ARG A 25 12.991 6.259 -9.342 1.00 0.00 N ATOM 0 H ARG A 25 6.242 8.500 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 25 7.610 10.681 -10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.488 7.688 -11.367 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.139 8.865 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.938 9.430 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.245 8.408 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.533 6.418 -11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.177 7.427 -12.429 1.00 0.00 H new ATOM 0 HE ARG A 25 12.215 7.676 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.785 5.953 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.971 5.252 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.744 6.713 -9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.206 5.681 -8.529 1.00 0.00 H new ATOM 446 N ASN A 26 5.799 10.803 -12.574 1.00 0.00 N ATOM 447 CA ASN A 26 4.756 10.850 -13.582 1.00 0.00 C ATOM 448 C ASN A 26 5.137 9.904 -14.713 1.00 0.00 C ATOM 449 O ASN A 26 5.765 10.307 -15.695 1.00 0.00 O ATOM 450 CB ASN A 26 4.558 12.273 -14.111 1.00 0.00 C ATOM 451 CG ASN A 26 3.363 12.382 -15.041 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.243 12.650 -14.602 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.591 12.183 -16.329 1.00 0.00 N ATOM 0 H ASN A 26 6.469 11.571 -12.613 1.00 0.00 H new ATOM 0 HA ASN A 26 3.810 10.539 -13.139 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.425 12.955 -13.271 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.457 12.590 -14.640 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.825 12.249 -16.999 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.533 11.963 -16.652 1.00 0.00 H new ATOM 460 N ASP A 27 4.809 8.635 -14.534 1.00 0.00 N ATOM 461 CA ASP A 27 5.216 7.592 -15.467 1.00 0.00 C ATOM 462 C ASP A 27 4.066 7.261 -16.412 1.00 0.00 C ATOM 463 O ASP A 27 3.066 7.979 -16.455 1.00 0.00 O ATOM 464 CB ASP A 27 5.639 6.339 -14.686 1.00 0.00 C ATOM 465 CG ASP A 27 6.712 5.528 -15.391 1.00 0.00 C ATOM 466 OD1 ASP A 27 6.429 4.935 -16.448 1.00 0.00 O ATOM 467 OD2 ASP A 27 7.850 5.481 -14.877 1.00 0.00 O ATOM 0 H ASP A 27 4.257 8.298 -13.745 1.00 0.00 H new ATOM 0 HA ASP A 27 6.061 7.946 -16.057 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.005 6.638 -13.704 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.765 5.709 -14.522 1.00 0.00 H new ATOM 472 N GLU A 28 4.201 6.175 -17.157 1.00 0.00 N ATOM 473 CA GLU A 28 3.156 5.730 -18.065 1.00 0.00 C ATOM 474 C GLU A 28 2.908 4.237 -17.875 1.00 0.00 C ATOM 475 O GLU A 28 3.852 3.458 -17.747 1.00 0.00 O ATOM 476 CB GLU A 28 3.533 6.037 -19.520 1.00 0.00 C ATOM 477 CG GLU A 28 4.848 5.420 -19.969 1.00 0.00 C ATOM 478 CD GLU A 28 5.177 5.754 -21.407 1.00 0.00 C ATOM 479 OE1 GLU A 28 4.710 5.035 -22.313 1.00 0.00 O ATOM 480 OE2 GLU A 28 5.896 6.749 -21.643 1.00 0.00 O ATOM 0 H GLU A 28 5.031 5.582 -17.150 1.00 0.00 H new ATOM 0 HA GLU A 28 2.238 6.271 -17.837 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.736 5.680 -20.173 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.590 7.118 -19.648 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.652 5.773 -19.323 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.798 4.337 -19.852 1.00 0.00 H new ATOM 487 N PRO A 29 1.634 3.821 -17.826 1.00 0.00 N ATOM 488 CA PRO A 29 1.275 2.417 -17.637 1.00 0.00 C ATOM 489 C PRO A 29 1.621 1.569 -18.856 1.00 0.00 C ATOM 490 O PRO A 29 0.868 1.515 -19.829 1.00 0.00 O ATOM 491 CB PRO A 29 -0.239 2.452 -17.411 1.00 0.00 C ATOM 492 CG PRO A 29 -0.698 3.716 -18.055 1.00 0.00 C ATOM 493 CD PRO A 29 0.448 4.688 -17.949 1.00 0.00 C ATOM 0 HA PRO A 29 1.822 1.964 -16.810 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.724 1.584 -17.856 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.479 2.441 -16.348 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.967 3.545 -19.097 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.585 4.106 -17.556 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.511 5.330 -18.828 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.339 5.342 -17.084 1.00 0.00 H new ATOM 501 N GLN A 30 2.781 0.936 -18.808 1.00 0.00 N ATOM 502 CA GLN A 30 3.252 0.114 -19.910 1.00 0.00 C ATOM 503 C GLN A 30 2.840 -1.337 -19.708 1.00 0.00 C ATOM 504 O GLN A 30 2.830 -1.837 -18.582 1.00 0.00 O ATOM 505 CB GLN A 30 4.775 0.197 -20.017 1.00 0.00 C ATOM 506 CG GLN A 30 5.300 1.608 -20.229 1.00 0.00 C ATOM 507 CD GLN A 30 6.814 1.683 -20.173 1.00 0.00 C ATOM 508 OE1 GLN A 30 7.384 2.702 -19.785 1.00 0.00 O ATOM 509 NE2 GLN A 30 7.480 0.610 -20.570 1.00 0.00 N ATOM 0 H GLN A 30 3.418 0.976 -18.012 1.00 0.00 H new ATOM 0 HA GLN A 30 2.802 0.488 -20.830 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.216 -0.212 -19.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.107 -0.432 -20.843 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.957 1.978 -21.196 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.879 2.266 -19.469 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.973 -0.217 -20.885 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.500 0.610 -20.561 1.00 0.00 H new ATOM 518 N PRO A 31 2.506 -2.039 -20.795 1.00 0.00 N ATOM 519 CA PRO A 31 2.149 -3.455 -20.731 1.00 0.00 C ATOM 520 C PRO A 31 3.311 -4.305 -20.220 1.00 0.00 C ATOM 521 O PRO A 31 3.113 -5.383 -19.663 1.00 0.00 O ATOM 522 CB PRO A 31 1.808 -3.815 -22.179 1.00 0.00 C ATOM 523 CG PRO A 31 2.448 -2.755 -23.009 1.00 0.00 C ATOM 524 CD PRO A 31 2.437 -1.512 -22.169 1.00 0.00 C ATOM 0 HA PRO A 31 1.326 -3.641 -20.041 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.190 -4.802 -22.439 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.729 -3.839 -22.335 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.466 -3.034 -23.281 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.900 -2.603 -23.939 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.284 -0.864 -22.396 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.534 -0.924 -22.331 1.00 0.00 H new ATOM 532 N HIS A 32 4.527 -3.792 -20.386 1.00 0.00 N ATOM 533 CA HIS A 32 5.714 -4.492 -19.917 1.00 0.00 C ATOM 534 C HIS A 32 6.074 -4.036 -18.502 1.00 0.00 C ATOM 535 O HIS A 32 7.195 -4.226 -18.037 1.00 0.00 O ATOM 536 CB HIS A 32 6.889 -4.272 -20.876 1.00 0.00 C ATOM 537 CG HIS A 32 7.972 -5.306 -20.747 1.00 0.00 C ATOM 538 ND1 HIS A 32 7.907 -6.534 -21.368 1.00 0.00 N ATOM 539 CD2 HIS A 32 9.144 -5.293 -20.067 1.00 0.00 C ATOM 540 CE1 HIS A 32 8.988 -7.232 -21.072 1.00 0.00 C ATOM 541 NE2 HIS A 32 9.754 -6.503 -20.286 1.00 0.00 N ATOM 0 H HIS A 32 4.714 -2.898 -20.840 1.00 0.00 H new ATOM 0 HA HIS A 32 5.498 -5.560 -19.891 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.516 -4.274 -21.900 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.316 -3.286 -20.694 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.527 -4.482 -19.465 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.207 -8.232 -21.416 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.654 -6.791 -19.902 1.00 0.00 H new ATOM 550 N GLN A 33 5.118 -3.417 -17.827 1.00 0.00 N ATOM 551 CA GLN A 33 5.252 -3.138 -16.406 1.00 0.00 C ATOM 552 C GLN A 33 4.349 -4.077 -15.621 1.00 0.00 C ATOM 553 O GLN A 33 4.709 -4.559 -14.549 1.00 0.00 O ATOM 554 CB GLN A 33 4.876 -1.689 -16.082 1.00 0.00 C ATOM 555 CG GLN A 33 5.784 -0.647 -16.713 1.00 0.00 C ATOM 556 CD GLN A 33 5.300 0.770 -16.458 1.00 0.00 C ATOM 557 OE1 GLN A 33 4.102 1.006 -16.298 1.00 0.00 O ATOM 558 NE2 GLN A 33 6.222 1.721 -16.430 1.00 0.00 N ATOM 0 H GLN A 33 4.241 -3.098 -18.240 1.00 0.00 H new ATOM 0 HA GLN A 33 6.294 -3.291 -16.127 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.853 -1.510 -16.413 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.889 -1.557 -15.000 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.793 -0.760 -16.317 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.841 -0.821 -17.787 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.204 1.483 -16.567 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.949 2.691 -16.271 1.00 0.00 H new ATOM 567 N PHE A 34 3.179 -4.357 -16.190 1.00 0.00 N ATOM 568 CA PHE A 34 2.151 -5.120 -15.496 1.00 0.00 C ATOM 569 C PHE A 34 2.126 -6.579 -15.938 1.00 0.00 C ATOM 570 O PHE A 34 1.248 -7.339 -15.531 1.00 0.00 O ATOM 571 CB PHE A 34 0.779 -4.486 -15.732 1.00 0.00 C ATOM 572 CG PHE A 34 0.669 -3.076 -15.221 1.00 0.00 C ATOM 573 CD1 PHE A 34 0.385 -2.830 -13.887 1.00 0.00 C ATOM 574 CD2 PHE A 34 0.851 -1.999 -16.074 1.00 0.00 C ATOM 575 CE1 PHE A 34 0.286 -1.537 -13.412 1.00 0.00 C ATOM 576 CE2 PHE A 34 0.753 -0.702 -15.604 1.00 0.00 C ATOM 577 CZ PHE A 34 0.470 -0.472 -14.271 1.00 0.00 C ATOM 0 H PHE A 34 2.921 -4.065 -17.133 1.00 0.00 H new ATOM 0 HA PHE A 34 2.390 -5.099 -14.433 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.564 -4.494 -16.801 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.018 -5.099 -15.249 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.239 -3.659 -13.211 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.072 -2.174 -17.117 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.065 -1.359 -12.370 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.897 0.130 -16.278 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.393 0.540 -13.902 1.00 0.00 H new ATOM 587 N ASN A 35 3.086 -6.974 -16.760 1.00 0.00 N ATOM 588 CA ASN A 35 3.163 -8.359 -17.218 1.00 0.00 C ATOM 589 C ASN A 35 3.867 -9.215 -16.174 1.00 0.00 C ATOM 590 O ASN A 35 3.823 -10.444 -16.225 1.00 0.00 O ATOM 591 CB ASN A 35 3.883 -8.448 -18.568 1.00 0.00 C ATOM 592 CG ASN A 35 5.369 -8.165 -18.458 1.00 0.00 C ATOM 593 OD1 ASN A 35 5.783 -7.017 -18.358 1.00 0.00 O ATOM 594 ND2 ASN A 35 6.180 -9.207 -18.515 1.00 0.00 N ATOM 0 H ASN A 35 3.818 -6.364 -17.123 1.00 0.00 H new ATOM 0 HA ASN A 35 2.150 -8.737 -17.354 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.737 -9.443 -18.988 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.433 -7.739 -19.263 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.190 -9.070 -18.476 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.796 -10.148 -18.598 1.00 0.00 H new ATOM 601 N SER A 36 4.520 -8.554 -15.227 1.00 0.00 N ATOM 602 CA SER A 36 5.116 -9.239 -14.097 1.00 0.00 C ATOM 603 C SER A 36 4.015 -9.694 -13.152 1.00 0.00 C ATOM 604 O SER A 36 3.357 -8.878 -12.509 1.00 0.00 O ATOM 605 CB SER A 36 6.099 -8.321 -13.362 1.00 0.00 C ATOM 606 OG SER A 36 6.663 -8.963 -12.223 1.00 0.00 O ATOM 0 H SER A 36 4.648 -7.542 -15.223 1.00 0.00 H new ATOM 0 HA SER A 36 5.670 -10.106 -14.458 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.895 -8.020 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.585 -7.411 -13.051 1.00 0.00 H new ATOM 0 HG SER A 36 7.087 -9.803 -12.497 1.00 0.00 H new ATOM 612 N THR A 37 3.807 -10.997 -13.084 1.00 0.00 N ATOM 613 CA THR A 37 2.752 -11.553 -12.259 1.00 0.00 C ATOM 614 C THR A 37 3.318 -11.996 -10.911 1.00 0.00 C ATOM 615 O THR A 37 2.722 -12.803 -10.193 1.00 0.00 O ATOM 616 CB THR A 37 2.044 -12.729 -12.980 1.00 0.00 C ATOM 617 OG1 THR A 37 1.013 -13.285 -12.147 1.00 0.00 O ATOM 618 CG2 THR A 37 3.035 -13.816 -13.364 1.00 0.00 C ATOM 0 H THR A 37 4.357 -11.690 -13.592 1.00 0.00 H new ATOM 0 HA THR A 37 2.005 -10.779 -12.083 1.00 0.00 H new ATOM 0 HB THR A 37 1.594 -12.334 -13.891 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.339 -13.355 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.509 -14.627 -13.868 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.788 -13.401 -14.034 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.519 -14.200 -12.466 1.00 0.00 H new ATOM 626 N GLN A 38 4.476 -11.448 -10.570 1.00 0.00 N ATOM 627 CA GLN A 38 5.085 -11.689 -9.275 1.00 0.00 C ATOM 628 C GLN A 38 4.406 -10.784 -8.249 1.00 0.00 C ATOM 629 O GLN A 38 4.062 -9.652 -8.572 1.00 0.00 O ATOM 630 CB GLN A 38 6.591 -11.408 -9.342 1.00 0.00 C ATOM 631 CG GLN A 38 7.402 -12.174 -8.309 1.00 0.00 C ATOM 632 CD GLN A 38 8.896 -11.964 -8.441 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.624 -12.031 -7.456 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.366 -11.704 -9.649 1.00 0.00 N ATOM 0 H GLN A 38 5.013 -10.830 -11.178 1.00 0.00 H new ATOM 0 HA GLN A 38 4.955 -12.731 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.955 -11.662 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.759 -10.340 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.086 -11.869 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.183 -13.238 -8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.729 -11.656 -10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.365 -11.551 -9.785 1.00 0.00 H new ATOM 643 N PRO A 39 4.205 -11.258 -7.006 1.00 0.00 N ATOM 644 CA PRO A 39 3.424 -10.532 -5.986 1.00 0.00 C ATOM 645 C PRO A 39 3.904 -9.101 -5.742 1.00 0.00 C ATOM 646 O PRO A 39 3.128 -8.244 -5.335 1.00 0.00 O ATOM 647 CB PRO A 39 3.617 -11.377 -4.726 1.00 0.00 C ATOM 648 CG PRO A 39 3.905 -12.743 -5.236 1.00 0.00 C ATOM 649 CD PRO A 39 4.715 -12.540 -6.481 1.00 0.00 C ATOM 0 HA PRO A 39 2.386 -10.416 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.438 -10.999 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.725 -11.367 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.456 -13.329 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.984 -13.285 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.782 -12.491 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.571 -13.353 -7.193 1.00 0.00 H new ATOM 657 N PHE A 40 5.182 -8.849 -5.986 1.00 0.00 N ATOM 658 CA PHE A 40 5.746 -7.520 -5.787 1.00 0.00 C ATOM 659 C PHE A 40 6.239 -6.941 -7.107 1.00 0.00 C ATOM 660 O PHE A 40 6.961 -5.945 -7.119 1.00 0.00 O ATOM 661 CB PHE A 40 6.904 -7.572 -4.786 1.00 0.00 C ATOM 662 CG PHE A 40 6.535 -8.143 -3.445 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.602 -9.508 -3.216 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.132 -7.313 -2.411 1.00 0.00 C ATOM 665 CE1 PHE A 40 6.274 -10.035 -1.985 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.800 -7.835 -1.177 1.00 0.00 C ATOM 667 CZ PHE A 40 5.872 -9.199 -0.964 1.00 0.00 C ATOM 0 H PHE A 40 5.848 -9.545 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 40 4.960 -6.878 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.711 -8.168 -5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.293 -6.563 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.915 -10.167 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.077 -6.247 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.332 -11.101 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.485 -7.179 -0.379 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.614 -9.610 0.001 1.00 0.00 H new ATOM 677 N PHE A 41 5.851 -7.585 -8.215 1.00 0.00 N ATOM 678 CA PHE A 41 6.262 -7.163 -9.559 1.00 0.00 C ATOM 679 C PHE A 41 7.776 -6.977 -9.638 1.00 0.00 C ATOM 680 O PHE A 41 8.275 -6.093 -10.334 1.00 0.00 O ATOM 681 CB PHE A 41 5.544 -5.870 -9.959 1.00 0.00 C ATOM 682 CG PHE A 41 4.092 -6.063 -10.316 1.00 0.00 C ATOM 683 CD1 PHE A 41 3.236 -6.759 -9.472 1.00 0.00 C ATOM 684 CD2 PHE A 41 3.586 -5.553 -11.499 1.00 0.00 C ATOM 685 CE1 PHE A 41 1.908 -6.937 -9.802 1.00 0.00 C ATOM 686 CE2 PHE A 41 2.257 -5.732 -11.833 1.00 0.00 C ATOM 687 CZ PHE A 41 1.418 -6.424 -10.984 1.00 0.00 C ATOM 0 H PHE A 41 5.248 -8.407 -8.205 1.00 0.00 H new ATOM 0 HA PHE A 41 5.981 -7.950 -10.259 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.614 -5.158 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.061 -5.427 -10.810 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.615 -7.166 -8.546 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.237 -5.009 -12.168 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.253 -7.478 -9.135 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.875 -5.330 -12.760 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.379 -6.564 -11.245 1.00 0.00 H new ATOM 697 N MET A 42 8.503 -7.859 -8.955 1.00 0.00 N ATOM 698 CA MET A 42 9.952 -7.736 -8.831 1.00 0.00 C ATOM 699 C MET A 42 10.669 -8.185 -10.103 1.00 0.00 C ATOM 700 O MET A 42 11.889 -8.337 -10.121 1.00 0.00 O ATOM 701 CB MET A 42 10.446 -8.525 -7.614 1.00 0.00 C ATOM 702 CG MET A 42 9.931 -7.969 -6.299 1.00 0.00 C ATOM 703 SD MET A 42 10.586 -8.830 -4.856 1.00 0.00 S ATOM 704 CE MET A 42 9.611 -10.333 -4.861 1.00 0.00 C ATOM 0 H MET A 42 8.109 -8.670 -8.477 1.00 0.00 H new ATOM 0 HA MET A 42 10.189 -6.682 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.133 -9.565 -7.710 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.536 -8.520 -7.602 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.191 -6.913 -6.232 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.843 -8.031 -6.288 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.206 -10.507 -3.864 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.792 -10.233 -5.573 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.241 -11.175 -5.148 1.00 0.00 H new ATOM 714 N ASP A 43 9.907 -8.398 -11.168 1.00 0.00 N ATOM 715 CA ASP A 43 10.489 -8.662 -12.476 1.00 0.00 C ATOM 716 C ASP A 43 10.731 -7.349 -13.201 1.00 0.00 C ATOM 717 O ASP A 43 11.786 -7.129 -13.793 1.00 0.00 O ATOM 718 CB ASP A 43 9.569 -9.534 -13.338 1.00 0.00 C ATOM 719 CG ASP A 43 9.341 -10.916 -12.773 1.00 0.00 C ATOM 720 OD1 ASP A 43 10.198 -11.797 -12.985 1.00 0.00 O ATOM 721 OD2 ASP A 43 8.288 -11.133 -12.134 1.00 0.00 O ATOM 0 H ASP A 43 8.887 -8.393 -11.151 1.00 0.00 H new ATOM 0 HA ASP A 43 11.427 -9.194 -12.319 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.607 -9.033 -13.449 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.999 -9.625 -14.336 1.00 0.00 H new ATOM 726 N THR A 44 9.742 -6.473 -13.122 1.00 0.00 N ATOM 727 CA THR A 44 9.745 -5.232 -13.871 1.00 0.00 C ATOM 728 C THR A 44 10.094 -4.036 -12.989 1.00 0.00 C ATOM 729 O THR A 44 10.654 -3.045 -13.463 1.00 0.00 O ATOM 730 CB THR A 44 8.368 -5.008 -14.516 1.00 0.00 C ATOM 731 OG1 THR A 44 7.336 -5.197 -13.534 1.00 0.00 O ATOM 732 CG2 THR A 44 8.153 -5.975 -15.668 1.00 0.00 C ATOM 0 H THR A 44 8.917 -6.604 -12.537 1.00 0.00 H new ATOM 0 HA THR A 44 10.510 -5.316 -14.643 1.00 0.00 H new ATOM 0 HB THR A 44 8.328 -3.989 -14.901 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.467 -4.967 -13.924 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.173 -5.800 -16.111 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.925 -5.820 -16.422 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.207 -6.999 -15.298 1.00 0.00 H new ATOM 740 N MET A 45 9.758 -4.124 -11.710 1.00 0.00 N ATOM 741 CA MET A 45 9.996 -3.024 -10.789 1.00 0.00 C ATOM 742 C MET A 45 10.806 -3.477 -9.584 1.00 0.00 C ATOM 743 O MET A 45 11.027 -4.673 -9.377 1.00 0.00 O ATOM 744 CB MET A 45 8.672 -2.407 -10.334 1.00 0.00 C ATOM 745 CG MET A 45 7.858 -1.813 -11.471 1.00 0.00 C ATOM 746 SD MET A 45 6.385 -0.945 -10.901 1.00 0.00 S ATOM 747 CE MET A 45 7.115 0.368 -9.928 1.00 0.00 C ATOM 0 H MET A 45 9.321 -4.943 -11.288 1.00 0.00 H new ATOM 0 HA MET A 45 10.573 -2.267 -11.320 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.078 -3.171 -9.833 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.877 -1.629 -9.599 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.484 -1.123 -12.037 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.563 -2.609 -12.154 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.413 1.198 -9.852 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.347 -0.004 -8.930 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.031 0.711 -10.409 1.00 0.00 H new ATOM 757 N GLU A 46 11.247 -2.509 -8.794 1.00 0.00 N ATOM 758 CA GLU A 46 12.070 -2.774 -7.623 1.00 0.00 C ATOM 759 C GLU A 46 11.201 -2.947 -6.378 1.00 0.00 C ATOM 760 O GLU A 46 10.154 -2.300 -6.249 1.00 0.00 O ATOM 761 CB GLU A 46 13.062 -1.628 -7.422 1.00 0.00 C ATOM 762 CG GLU A 46 14.053 -1.486 -8.565 1.00 0.00 C ATOM 763 CD GLU A 46 14.940 -0.270 -8.423 1.00 0.00 C ATOM 764 OE1 GLU A 46 15.457 -0.032 -7.311 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.135 0.450 -9.426 1.00 0.00 O ATOM 0 H GLU A 46 11.045 -1.521 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 46 12.620 -3.701 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.511 -0.694 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.609 -1.789 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.675 -2.380 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.508 -1.425 -9.507 1.00 0.00 H new ATOM 772 N PRO A 47 11.627 -3.822 -5.449 1.00 0.00 N ATOM 773 CA PRO A 47 10.887 -4.114 -4.214 1.00 0.00 C ATOM 774 C PRO A 47 10.862 -2.933 -3.246 1.00 0.00 C ATOM 775 O PRO A 47 11.576 -2.921 -2.241 1.00 0.00 O ATOM 776 CB PRO A 47 11.643 -5.297 -3.593 1.00 0.00 C ATOM 777 CG PRO A 47 12.563 -5.790 -4.660 1.00 0.00 C ATOM 778 CD PRO A 47 12.866 -4.605 -5.529 1.00 0.00 C ATOM 0 HA PRO A 47 9.840 -4.329 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.199 -4.986 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.954 -6.080 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.476 -6.200 -4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.097 -6.588 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.725 -4.043 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.093 -4.901 -6.553 1.00 0.00 H new ATOM 786 N LEU A 48 10.041 -1.943 -3.582 1.00 0.00 N ATOM 787 CA LEU A 48 9.839 -0.749 -2.764 1.00 0.00 C ATOM 788 C LEU A 48 8.894 0.197 -3.478 1.00 0.00 C ATOM 789 O LEU A 48 7.861 0.595 -2.946 1.00 0.00 O ATOM 790 CB LEU A 48 11.164 -0.027 -2.479 1.00 0.00 C ATOM 791 CG LEU A 48 11.028 1.379 -1.877 1.00 0.00 C ATOM 792 CD1 LEU A 48 10.293 1.340 -0.542 1.00 0.00 C ATOM 793 CD2 LEU A 48 12.395 2.024 -1.718 1.00 0.00 C ATOM 0 H LEU A 48 9.490 -1.946 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 48 9.413 -1.062 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.754 -0.640 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.726 0.047 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 48 10.437 1.983 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.213 2.350 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.295 0.927 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.845 0.714 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.280 3.020 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.011 1.414 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.876 2.101 -2.693 1.00 0.00 H new ATOM 805 N GLU A 49 9.241 0.522 -4.708 1.00 0.00 N ATOM 806 CA GLU A 49 8.491 1.499 -5.476 1.00 0.00 C ATOM 807 C GLU A 49 7.311 0.842 -6.178 1.00 0.00 C ATOM 808 O GLU A 49 6.584 1.488 -6.924 1.00 0.00 O ATOM 809 CB GLU A 49 9.422 2.187 -6.468 1.00 0.00 C ATOM 810 CG GLU A 49 10.656 2.752 -5.790 1.00 0.00 C ATOM 811 CD GLU A 49 11.542 3.533 -6.727 1.00 0.00 C ATOM 812 OE1 GLU A 49 12.389 2.917 -7.399 1.00 0.00 O ATOM 813 OE2 GLU A 49 11.400 4.769 -6.779 1.00 0.00 O ATOM 0 H GLU A 49 10.041 0.122 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 49 8.084 2.254 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.724 1.475 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.885 2.991 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.348 3.398 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.230 1.934 -5.354 1.00 0.00 H new ATOM 820 N TRP A 50 7.132 -0.446 -5.918 1.00 0.00 N ATOM 821 CA TRP A 50 5.968 -1.182 -6.386 1.00 0.00 C ATOM 822 C TRP A 50 4.709 -0.673 -5.683 1.00 0.00 C ATOM 823 O TRP A 50 3.600 -0.751 -6.221 1.00 0.00 O ATOM 824 CB TRP A 50 6.164 -2.680 -6.118 1.00 0.00 C ATOM 825 CG TRP A 50 4.911 -3.489 -6.253 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.289 -3.854 -7.411 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.124 -4.030 -5.187 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.163 -4.587 -7.128 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.041 -4.709 -5.771 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.232 -4.005 -3.795 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.071 -5.357 -5.011 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.269 -4.648 -3.042 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.201 -5.315 -3.650 1.00 0.00 C ATOM 0 H TRP A 50 7.789 -1.008 -5.377 1.00 0.00 H new ATOM 0 HA TRP A 50 5.851 -1.028 -7.459 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.912 -3.068 -6.810 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.562 -2.810 -5.112 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.632 -3.603 -8.404 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.521 -4.977 -7.818 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.053 -3.492 -3.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.246 -5.874 -5.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.342 -4.635 -1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.464 -5.807 -3.033 1.00 0.00 H new ATOM 844 N LEU A 51 4.904 -0.140 -4.479 1.00 0.00 N ATOM 845 CA LEU A 51 3.812 0.410 -3.687 1.00 0.00 C ATOM 846 C LEU A 51 3.055 1.468 -4.480 1.00 0.00 C ATOM 847 O LEU A 51 1.824 1.502 -4.483 1.00 0.00 O ATOM 848 CB LEU A 51 4.357 1.022 -2.394 1.00 0.00 C ATOM 849 CG LEU A 51 5.073 0.046 -1.458 1.00 0.00 C ATOM 850 CD1 LEU A 51 5.651 0.781 -0.260 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.125 -1.050 -0.999 1.00 0.00 C ATOM 0 H LEU A 51 5.817 -0.078 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 51 3.125 -0.399 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.049 1.823 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.530 1.479 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 51 5.892 -0.415 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.156 0.070 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.365 1.530 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.847 1.271 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.654 -1.733 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.284 -0.605 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.757 -1.599 -1.866 1.00 0.00 H new ATOM 863 N GLN A 52 3.802 2.311 -5.172 1.00 0.00 N ATOM 864 CA GLN A 52 3.218 3.366 -5.977 1.00 0.00 C ATOM 865 C GLN A 52 3.079 2.912 -7.423 1.00 0.00 C ATOM 866 O GLN A 52 3.797 2.019 -7.870 1.00 0.00 O ATOM 867 CB GLN A 52 4.077 4.628 -5.911 1.00 0.00 C ATOM 868 CG GLN A 52 5.513 4.407 -6.356 1.00 0.00 C ATOM 869 CD GLN A 52 6.327 5.681 -6.373 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.086 6.604 -5.598 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.302 5.734 -7.262 1.00 0.00 N ATOM 0 H GLN A 52 4.821 2.283 -5.191 1.00 0.00 H new ATOM 0 HA GLN A 52 2.229 3.592 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.626 5.398 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.076 5.006 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.988 3.687 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.515 3.967 -7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.467 4.944 -7.886 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.890 6.565 -7.325 1.00 0.00 H new ATOM 880 N TRP A 53 2.129 3.521 -8.127 1.00 0.00 N ATOM 881 CA TRP A 53 1.909 3.292 -9.560 1.00 0.00 C ATOM 882 C TRP A 53 1.280 1.923 -9.850 1.00 0.00 C ATOM 883 O TRP A 53 0.419 1.812 -10.723 1.00 0.00 O ATOM 884 CB TRP A 53 3.206 3.467 -10.357 1.00 0.00 C ATOM 885 CG TRP A 53 2.967 3.592 -11.830 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.321 2.702 -12.804 1.00 0.00 C ATOM 887 CD2 TRP A 53 2.303 4.672 -12.492 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.922 3.169 -14.033 1.00 0.00 N ATOM 889 CE2 TRP A 53 2.292 4.376 -13.866 1.00 0.00 C ATOM 890 CE3 TRP A 53 1.717 5.866 -12.053 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.715 5.228 -14.802 1.00 0.00 C ATOM 892 CZ3 TRP A 53 1.144 6.709 -12.986 1.00 0.00 C ATOM 893 CH2 TRP A 53 1.147 6.386 -14.347 1.00 0.00 C ATOM 0 H TRP A 53 1.481 4.195 -7.719 1.00 0.00 H new ATOM 0 HA TRP A 53 1.195 4.049 -9.885 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.729 4.355 -10.001 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.860 2.615 -10.170 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.838 1.769 -12.633 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.070 2.695 -14.924 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.713 6.123 -11.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.716 4.983 -15.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.687 7.631 -12.659 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.692 7.065 -15.053 1.00 0.00 H new ATOM 904 N VAL A 54 1.699 0.886 -9.137 1.00 0.00 N ATOM 905 CA VAL A 54 1.100 -0.427 -9.318 1.00 0.00 C ATOM 906 C VAL A 54 0.159 -0.777 -8.174 1.00 0.00 C ATOM 907 O VAL A 54 -1.051 -0.841 -8.372 1.00 0.00 O ATOM 908 CB VAL A 54 2.150 -1.545 -9.464 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.461 -2.896 -9.600 1.00 0.00 C ATOM 910 CG2 VAL A 54 3.043 -1.290 -10.664 1.00 0.00 C ATOM 0 H VAL A 54 2.441 0.927 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 54 0.535 -0.364 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 54 2.772 -1.552 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.212 -3.679 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.857 -3.087 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.820 -2.890 -10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.777 -2.091 -10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.436 -1.257 -11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.558 -0.338 -10.538 1.00 0.00 H new ATOM 920 N LEU A 55 0.709 -0.994 -6.977 1.00 0.00 N ATOM 921 CA LEU A 55 -0.087 -1.466 -5.842 1.00 0.00 C ATOM 922 C LEU A 55 -1.283 -0.558 -5.570 1.00 0.00 C ATOM 923 O LEU A 55 -2.415 -1.030 -5.489 1.00 0.00 O ATOM 924 CB LEU A 55 0.770 -1.583 -4.579 1.00 0.00 C ATOM 925 CG LEU A 55 0.006 -2.013 -3.322 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.605 -3.392 -3.508 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.919 -1.993 -2.109 1.00 0.00 C ATOM 0 H LEU A 55 1.697 -0.851 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.462 -2.454 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.569 -2.300 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.244 -0.620 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.803 -1.302 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.142 -3.677 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.297 -3.373 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.185 -4.117 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.358 -2.301 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.751 -2.679 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.304 -0.984 -1.960 1.00 0.00 H new ATOM 939 N ILE A 56 -1.031 0.738 -5.436 1.00 0.00 N ATOM 940 CA ILE A 56 -2.094 1.690 -5.138 1.00 0.00 C ATOM 941 C ILE A 56 -3.229 1.632 -6.183 1.00 0.00 C ATOM 942 O ILE A 56 -4.364 1.326 -5.817 1.00 0.00 O ATOM 943 CB ILE A 56 -1.537 3.128 -4.964 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.670 3.197 -3.703 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.664 4.150 -4.897 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.084 4.500 -3.554 1.00 0.00 C ATOM 0 H ILE A 56 -0.104 1.153 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.532 1.397 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.924 3.370 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.304 3.052 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.044 2.374 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.243 5.148 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.245 4.111 -5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.311 3.923 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.676 4.475 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.745 4.638 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.625 5.327 -3.506 1.00 0.00 H new ATOM 958 N PRO A 57 -2.970 1.888 -7.491 1.00 0.00 N ATOM 959 CA PRO A 57 -4.016 1.785 -8.525 1.00 0.00 C ATOM 960 C PRO A 57 -4.641 0.392 -8.598 1.00 0.00 C ATOM 961 O PRO A 57 -5.855 0.260 -8.735 1.00 0.00 O ATOM 962 CB PRO A 57 -3.278 2.102 -9.827 1.00 0.00 C ATOM 963 CG PRO A 57 -2.100 2.895 -9.401 1.00 0.00 C ATOM 964 CD PRO A 57 -1.686 2.318 -8.079 1.00 0.00 C ATOM 0 HA PRO A 57 -4.847 2.458 -8.315 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.977 1.191 -10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.909 2.666 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.293 2.823 -10.131 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.351 3.951 -9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.997 1.482 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.183 3.057 -7.455 1.00 0.00 H new ATOM 972 N ARG A 58 -3.813 -0.642 -8.488 1.00 0.00 N ATOM 973 CA ARG A 58 -4.299 -2.016 -8.555 1.00 0.00 C ATOM 974 C ARG A 58 -5.303 -2.288 -7.437 1.00 0.00 C ATOM 975 O ARG A 58 -6.332 -2.932 -7.652 1.00 0.00 O ATOM 976 CB ARG A 58 -3.131 -3.003 -8.483 1.00 0.00 C ATOM 977 CG ARG A 58 -3.558 -4.458 -8.539 1.00 0.00 C ATOM 978 CD ARG A 58 -2.364 -5.385 -8.675 1.00 0.00 C ATOM 979 NE ARG A 58 -2.750 -6.786 -8.518 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.309 -7.783 -9.286 1.00 0.00 C ATOM 981 NH1 ARG A 58 -1.498 -7.533 -10.306 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.696 -9.031 -9.041 1.00 0.00 N ATOM 0 H ARG A 58 -2.806 -0.555 -8.353 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.807 -2.154 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.446 -2.803 -9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.578 -2.831 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.114 -4.710 -7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.233 -4.608 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.901 -5.242 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.615 -5.127 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.402 -7.017 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.209 -6.575 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.163 -8.299 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.330 -9.226 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.359 -9.794 -9.628 1.00 0.00 H new ATOM 996 N MET A 59 -5.015 -1.774 -6.247 1.00 0.00 N ATOM 997 CA MET A 59 -5.923 -1.926 -5.119 1.00 0.00 C ATOM 998 C MET A 59 -7.146 -1.031 -5.282 1.00 0.00 C ATOM 999 O MET A 59 -8.221 -1.361 -4.800 1.00 0.00 O ATOM 1000 CB MET A 59 -5.215 -1.633 -3.796 1.00 0.00 C ATOM 1001 CG MET A 59 -4.245 -2.725 -3.379 1.00 0.00 C ATOM 1002 SD MET A 59 -5.059 -4.321 -3.156 1.00 0.00 S ATOM 1003 CE MET A 59 -3.650 -5.387 -2.858 1.00 0.00 C ATOM 0 H MET A 59 -4.164 -1.251 -6.040 1.00 0.00 H new ATOM 0 HA MET A 59 -6.257 -2.963 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.675 -0.690 -3.882 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.962 -1.502 -3.013 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.464 -2.821 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.756 -2.437 -2.449 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.995 -6.406 -2.684 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.991 -5.370 -3.726 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.105 -5.034 -1.982 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.985 0.095 -5.974 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.128 0.953 -6.299 1.00 0.00 C ATOM 1015 C HIS A 60 -9.174 0.154 -7.067 1.00 0.00 C ATOM 1016 O HIS A 60 -10.375 0.296 -6.839 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.706 2.166 -7.136 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.285 3.366 -6.341 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.139 4.400 -6.037 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.086 3.715 -5.825 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.484 5.333 -5.374 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.232 4.944 -5.229 1.00 0.00 N ATOM 0 H HIS A 60 -6.087 0.434 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.546 1.314 -5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.882 1.872 -7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.536 2.450 -7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.177 3.133 -5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.902 6.260 -5.011 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.496 5.467 -4.754 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.698 -0.689 -7.974 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.563 -1.562 -8.758 1.00 0.00 C ATOM 1033 C ASP A 61 -10.149 -2.664 -7.877 1.00 0.00 C ATOM 1034 O ASP A 61 -11.360 -2.884 -7.861 1.00 0.00 O ATOM 1035 CB ASP A 61 -8.760 -2.174 -9.909 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.569 -3.123 -10.770 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -9.682 -4.314 -10.406 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.065 -2.691 -11.832 1.00 0.00 O ATOM 0 H ASP A 61 -7.705 -0.787 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.387 -0.976 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.368 -1.372 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.902 -2.708 -9.500 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.277 -3.328 -7.126 1.00 0.00 N ATOM 1044 CA LEU A 62 -9.673 -4.430 -6.250 1.00 0.00 C ATOM 1045 C LEU A 62 -10.730 -3.980 -5.236 1.00 0.00 C ATOM 1046 O LEU A 62 -11.733 -4.669 -5.019 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.425 -4.989 -5.542 1.00 0.00 C ATOM 1048 CG LEU A 62 -8.639 -6.220 -4.646 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -7.351 -7.020 -4.535 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -9.103 -5.810 -3.255 1.00 0.00 C ATOM 0 H LEU A 62 -8.279 -3.120 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.124 -5.219 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.687 -5.244 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.993 -4.195 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.412 -6.837 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.516 -7.889 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.041 -7.351 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.571 -6.395 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.247 -6.700 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.351 -5.170 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.045 -5.266 -3.331 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.504 -2.824 -4.624 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.417 -2.289 -3.619 1.00 0.00 C ATOM 1064 C LEU A 63 -12.753 -1.904 -4.243 1.00 0.00 C ATOM 1065 O LEU A 63 -13.801 -2.019 -3.605 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.799 -1.069 -2.931 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.515 -1.342 -2.150 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.869 -0.036 -1.720 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.808 -2.218 -0.945 1.00 0.00 C ATOM 0 H LEU A 63 -9.691 -2.235 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.591 -3.069 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.591 -0.312 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.536 -0.644 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.817 -1.871 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.955 -0.248 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.629 0.558 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.559 0.520 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.884 -2.405 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.521 -1.713 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.230 -3.166 -1.278 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.711 -1.457 -5.491 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.917 -1.041 -6.197 1.00 0.00 C ATOM 1083 C ASP A 64 -14.816 -2.238 -6.475 1.00 0.00 C ATOM 1084 O ASP A 64 -16.041 -2.127 -6.459 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.553 -0.336 -7.508 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.769 0.156 -8.270 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.306 -0.605 -9.098 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -15.178 1.321 -8.060 1.00 0.00 O ATOM 0 H ASP A 64 -11.853 -1.373 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.460 -0.341 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.900 0.509 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.988 -1.022 -8.139 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.204 -3.392 -6.692 1.00 0.00 N ATOM 1094 CA ASN A 65 -14.956 -4.611 -6.966 1.00 0.00 C ATOM 1095 C ASN A 65 -15.364 -5.302 -5.671 1.00 0.00 C ATOM 1096 O ASN A 65 -15.835 -6.440 -5.691 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.139 -5.576 -7.828 1.00 0.00 C ATOM 1098 CG ASN A 65 -13.786 -5.012 -9.193 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -12.785 -5.401 -9.789 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -14.598 -4.093 -9.698 1.00 0.00 N ATOM 0 H ASN A 65 -13.191 -3.512 -6.684 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.855 -4.325 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.221 -5.834 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.702 -6.500 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.400 -3.684 -10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.420 -3.795 -9.173 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.166 -4.610 -4.548 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.574 -5.099 -3.229 1.00 0.00 C ATOM 1109 C LYS A 66 -14.962 -6.460 -2.917 1.00 0.00 C ATOM 1110 O LYS A 66 -15.576 -7.284 -2.236 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.099 -5.180 -3.126 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.798 -3.836 -3.237 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.293 -3.976 -2.991 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.034 -2.664 -3.197 1.00 0.00 C ATOM 1115 NZ LYS A 66 -19.566 -1.592 -2.281 1.00 0.00 N ATOM 0 H LYS A 66 -14.718 -3.694 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.204 -4.384 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.472 -5.838 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.365 -5.639 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.371 -3.139 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.627 -3.414 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.701 -4.731 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.461 -4.330 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.905 -2.337 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.101 -2.826 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.180 -0.758 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.602 -1.934 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.588 -1.332 -2.522 1.00 0.00 H new ATOM 1129 N GLN A 67 -13.752 -6.693 -3.403 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.046 -7.926 -3.096 1.00 0.00 C ATOM 1131 C GLN A 67 -12.655 -7.941 -1.624 1.00 0.00 C ATOM 1132 O GLN A 67 -12.243 -6.915 -1.085 1.00 0.00 O ATOM 1133 CB GLN A 67 -11.805 -8.074 -3.975 1.00 0.00 C ATOM 1134 CG GLN A 67 -12.121 -8.308 -5.442 1.00 0.00 C ATOM 1135 CD GLN A 67 -12.936 -9.569 -5.664 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -12.385 -10.658 -5.830 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -14.254 -9.429 -5.678 1.00 0.00 N ATOM 0 H GLN A 67 -13.242 -6.049 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.708 -8.768 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.196 -7.175 -3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.205 -8.905 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.669 -7.451 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.190 -8.376 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.671 -8.509 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.852 -10.241 -5.830 1.00 0.00 H new ATOM 1146 N PRO A 68 -12.774 -9.102 -0.954 1.00 0.00 N ATOM 1147 CA PRO A 68 -12.474 -9.238 0.478 1.00 0.00 C ATOM 1148 C PRO A 68 -10.976 -9.243 0.762 1.00 0.00 C ATOM 1149 O PRO A 68 -10.532 -9.790 1.772 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.084 -10.599 0.857 1.00 0.00 C ATOM 1151 CG PRO A 68 -13.824 -11.076 -0.352 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.202 -10.382 -1.528 1.00 0.00 C ATOM 0 HA PRO A 68 -12.876 -8.401 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.307 -11.308 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.755 -10.501 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.746 -12.158 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.885 -10.839 -0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.362 -10.946 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.915 -10.244 -2.341 1.00 0.00 H new ATOM 1160 N LEU A 69 -10.213 -8.628 -0.146 1.00 0.00 N ATOM 1161 CA LEU A 69 -8.761 -8.535 -0.038 1.00 0.00 C ATOM 1162 C LEU A 69 -8.115 -9.922 -0.145 1.00 0.00 C ATOM 1163 O LEU A 69 -8.813 -10.934 -0.186 1.00 0.00 O ATOM 1164 CB LEU A 69 -8.369 -7.831 1.271 1.00 0.00 C ATOM 1165 CG LEU A 69 -8.924 -6.410 1.434 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -8.440 -5.792 2.732 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -8.526 -5.538 0.253 1.00 0.00 C ATOM 0 H LEU A 69 -10.591 -8.179 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.387 -7.937 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.712 -8.437 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.282 -7.789 1.332 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.012 -6.473 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.845 -4.785 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.776 -6.400 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.351 -5.747 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.930 -4.535 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.439 -5.486 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.923 -5.967 -0.667 1.00 0.00 H new ATOM 1179 N PRO A 70 -6.779 -9.992 -0.270 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.061 -11.274 -0.282 1.00 0.00 C ATOM 1181 C PRO A 70 -6.308 -12.095 0.987 1.00 0.00 C ATOM 1182 O PRO A 70 -6.297 -13.325 0.956 1.00 0.00 O ATOM 1183 CB PRO A 70 -4.590 -10.858 -0.380 1.00 0.00 C ATOM 1184 CG PRO A 70 -4.618 -9.496 -0.987 1.00 0.00 C ATOM 1185 CD PRO A 70 -5.870 -8.850 -0.474 1.00 0.00 C ATOM 0 HA PRO A 70 -6.389 -11.917 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.117 -10.844 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.022 -11.554 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.736 -8.922 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.624 -9.552 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.692 -8.307 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.276 -8.135 -1.189 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.525 -11.409 2.104 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.786 -12.089 3.364 1.00 0.00 C ATOM 1195 C GLY A 71 -5.525 -12.635 4.005 1.00 0.00 C ATOM 1196 O GLY A 71 -5.575 -13.276 5.051 1.00 0.00 O ATOM 0 H GLY A 71 -6.525 -10.391 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.269 -11.396 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.486 -12.907 3.193 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.396 -12.384 3.362 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.100 -12.824 3.859 1.00 0.00 C ATOM 1202 C ALA A 72 -2.017 -11.913 3.307 1.00 0.00 C ATOM 1203 O ALA A 72 -0.883 -12.333 3.062 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.839 -14.272 3.459 1.00 0.00 C ATOM 0 H ALA A 72 -4.351 -11.870 2.482 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.093 -12.770 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.866 -14.585 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.615 -14.911 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.849 -14.357 2.372 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.380 -10.654 3.119 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.494 -9.690 2.488 1.00 0.00 C ATOM 1212 C PHE A 73 -0.701 -8.927 3.540 1.00 0.00 C ATOM 1213 O PHE A 73 -1.270 -8.186 4.339 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.314 -8.719 1.634 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.497 -7.867 0.705 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.066 -8.367 -0.511 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.175 -6.561 1.041 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.326 -7.584 -1.375 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.434 -5.774 0.182 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.011 -6.285 -1.027 1.00 0.00 C ATOM 0 H PHE A 73 -3.286 -10.275 3.396 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.790 -10.222 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.033 -9.290 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.887 -8.068 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.311 -9.382 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.507 -6.155 1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.006 -7.987 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.186 -4.759 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.566 -5.670 -1.701 1.00 0.00 H new ATOM 1230 N ALA A 74 0.605 -9.141 3.547 1.00 0.00 N ATOM 1231 CA ALA A 74 1.491 -8.442 4.461 1.00 0.00 C ATOM 1232 C ALA A 74 2.788 -8.080 3.753 1.00 0.00 C ATOM 1233 O ALA A 74 3.589 -8.958 3.419 1.00 0.00 O ATOM 1234 CB ALA A 74 1.770 -9.295 5.691 1.00 0.00 C ATOM 0 H ALA A 74 1.076 -9.798 2.925 1.00 0.00 H new ATOM 0 HA ALA A 74 1.004 -7.523 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.436 -8.755 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.833 -9.512 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.242 -10.229 5.386 1.00 0.00 H new ATOM 1240 N VAL A 75 2.988 -6.796 3.503 1.00 0.00 N ATOM 1241 CA VAL A 75 4.166 -6.343 2.777 1.00 0.00 C ATOM 1242 C VAL A 75 5.255 -5.846 3.721 1.00 0.00 C ATOM 1243 O VAL A 75 6.441 -5.907 3.389 1.00 0.00 O ATOM 1244 CB VAL A 75 3.829 -5.237 1.754 1.00 0.00 C ATOM 1245 CG1 VAL A 75 3.009 -5.806 0.610 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.097 -4.080 2.417 1.00 0.00 C ATOM 0 H VAL A 75 2.353 -6.051 3.790 1.00 0.00 H new ATOM 0 HA VAL A 75 4.538 -7.213 2.236 1.00 0.00 H new ATOM 0 HB VAL A 75 4.766 -4.851 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.780 -5.014 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.577 -6.590 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.081 -6.223 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.873 -3.317 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.168 -4.442 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.725 -3.652 3.198 1.00 0.00 H new ATOM 1256 N ALA A 76 4.858 -5.382 4.903 1.00 0.00 N ATOM 1257 CA ALA A 76 5.812 -4.849 5.873 1.00 0.00 C ATOM 1258 C ALA A 76 6.888 -5.880 6.249 1.00 0.00 C ATOM 1259 O ALA A 76 8.071 -5.543 6.266 1.00 0.00 O ATOM 1260 CB ALA A 76 5.097 -4.330 7.112 1.00 0.00 C ATOM 0 H ALA A 76 3.886 -5.364 5.212 1.00 0.00 H new ATOM 0 HA ALA A 76 6.322 -4.011 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.830 -3.939 7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.407 -3.536 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.541 -5.143 7.579 1.00 0.00 H new ATOM 1266 N PRO A 77 6.511 -7.148 6.562 1.00 0.00 N ATOM 1267 CA PRO A 77 7.489 -8.210 6.848 1.00 0.00 C ATOM 1268 C PRO A 77 8.554 -8.349 5.761 1.00 0.00 C ATOM 1269 O PRO A 77 9.733 -8.539 6.058 1.00 0.00 O ATOM 1270 CB PRO A 77 6.633 -9.475 6.916 1.00 0.00 C ATOM 1271 CG PRO A 77 5.288 -8.998 7.326 1.00 0.00 C ATOM 1272 CD PRO A 77 5.122 -7.641 6.701 1.00 0.00 C ATOM 0 HA PRO A 77 8.048 -8.002 7.760 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.597 -9.981 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.036 -10.188 7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.511 -9.682 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.209 -8.940 8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.620 -7.703 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.524 -6.981 7.329 1.00 0.00 H new ATOM 1280 N TYR A 78 8.144 -8.242 4.500 1.00 0.00 N ATOM 1281 CA TYR A 78 9.080 -8.393 3.398 1.00 0.00 C ATOM 1282 C TYR A 78 9.959 -7.156 3.270 1.00 0.00 C ATOM 1283 O TYR A 78 11.175 -7.266 3.123 1.00 0.00 O ATOM 1284 CB TYR A 78 8.359 -8.663 2.074 1.00 0.00 C ATOM 1285 CG TYR A 78 9.315 -8.850 0.913 1.00 0.00 C ATOM 1286 CD1 TYR A 78 10.294 -9.834 0.956 1.00 0.00 C ATOM 1287 CD2 TYR A 78 9.252 -8.036 -0.214 1.00 0.00 C ATOM 1288 CE1 TYR A 78 11.184 -10.004 -0.087 1.00 0.00 C ATOM 1289 CE2 TYR A 78 10.139 -8.205 -1.265 1.00 0.00 C ATOM 1290 CZ TYR A 78 11.104 -9.189 -1.192 1.00 0.00 C ATOM 1291 OH TYR A 78 11.991 -9.358 -2.229 1.00 0.00 O ATOM 0 H TYR A 78 7.181 -8.054 4.221 1.00 0.00 H new ATOM 0 HA TYR A 78 9.707 -9.256 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.741 -9.555 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.687 -7.833 1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.361 -10.478 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.501 -7.262 -0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.940 -10.774 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.076 -7.570 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 78 11.680 -8.856 -3.011 1.00 0.00 H new ATOM 1301 N TYR A 79 9.348 -5.980 3.346 1.00 0.00 N ATOM 1302 CA TYR A 79 10.091 -4.736 3.205 1.00 0.00 C ATOM 1303 C TYR A 79 11.050 -4.528 4.370 1.00 0.00 C ATOM 1304 O TYR A 79 12.058 -3.841 4.229 1.00 0.00 O ATOM 1305 CB TYR A 79 9.147 -3.544 3.062 1.00 0.00 C ATOM 1306 CG TYR A 79 8.502 -3.462 1.697 1.00 0.00 C ATOM 1307 CD1 TYR A 79 9.274 -3.246 0.566 1.00 0.00 C ATOM 1308 CD2 TYR A 79 7.130 -3.599 1.539 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.698 -3.167 -0.683 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.546 -3.522 0.290 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.337 -3.306 -0.818 1.00 0.00 C ATOM 1312 OH TYR A 79 6.764 -3.227 -2.064 1.00 0.00 O ATOM 0 H TYR A 79 8.347 -5.863 3.503 1.00 0.00 H new ATOM 0 HA TYR A 79 10.683 -4.810 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.369 -3.611 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.700 -2.624 3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.344 -3.138 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.509 -3.768 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.314 -2.996 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.477 -3.630 0.182 1.00 0.00 H new ATOM 0 HH TYR A 79 6.630 -4.130 -2.420 1.00 0.00 H new ATOM 1322 N GLU A 80 10.745 -5.131 5.513 1.00 0.00 N ATOM 1323 CA GLU A 80 11.651 -5.099 6.654 1.00 0.00 C ATOM 1324 C GLU A 80 12.983 -5.751 6.288 1.00 0.00 C ATOM 1325 O GLU A 80 14.049 -5.274 6.674 1.00 0.00 O ATOM 1326 CB GLU A 80 11.035 -5.825 7.850 1.00 0.00 C ATOM 1327 CG GLU A 80 11.898 -5.769 9.098 1.00 0.00 C ATOM 1328 CD GLU A 80 11.431 -6.718 10.178 1.00 0.00 C ATOM 1329 OE1 GLU A 80 10.434 -6.408 10.861 1.00 0.00 O ATOM 1330 OE2 GLU A 80 12.064 -7.780 10.354 1.00 0.00 O ATOM 0 H GLU A 80 9.880 -5.647 5.674 1.00 0.00 H new ATOM 0 HA GLU A 80 11.823 -4.057 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.062 -5.386 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.862 -6.868 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.928 -6.007 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.897 -4.752 9.489 1.00 0.00 H new ATOM 1337 N MET A 81 12.911 -6.840 5.534 1.00 0.00 N ATOM 1338 CA MET A 81 14.106 -7.557 5.107 1.00 0.00 C ATOM 1339 C MET A 81 14.697 -6.910 3.861 1.00 0.00 C ATOM 1340 O MET A 81 15.914 -6.906 3.664 1.00 0.00 O ATOM 1341 CB MET A 81 13.776 -9.019 4.804 1.00 0.00 C ATOM 1342 CG MET A 81 13.152 -9.772 5.967 1.00 0.00 C ATOM 1343 SD MET A 81 12.700 -11.462 5.521 1.00 0.00 S ATOM 1344 CE MET A 81 11.611 -11.156 4.132 1.00 0.00 C ATOM 0 H MET A 81 12.036 -7.247 5.205 1.00 0.00 H new ATOM 0 HA MET A 81 14.833 -7.513 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.095 -9.057 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.690 -9.531 4.503 1.00 0.00 H new ATOM 0 HG2 MET A 81 13.853 -9.793 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.265 -9.239 6.309 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.649 -11.636 4.311 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.464 -10.082 4.014 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.056 -11.563 3.224 1.00 0.00 H new ATOM 1354 N ALA A 82 13.822 -6.380 3.015 1.00 0.00 N ATOM 1355 CA ALA A 82 14.232 -5.796 1.747 1.00 0.00 C ATOM 1356 C ALA A 82 14.971 -4.477 1.951 1.00 0.00 C ATOM 1357 O ALA A 82 16.060 -4.277 1.413 1.00 0.00 O ATOM 1358 CB ALA A 82 13.023 -5.592 0.845 1.00 0.00 C ATOM 0 H ALA A 82 12.817 -6.343 3.187 1.00 0.00 H new ATOM 0 HA ALA A 82 14.921 -6.491 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.344 -5.154 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.544 -6.553 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.314 -4.923 1.332 1.00 0.00 H new ATOM 1364 N LEU A 83 14.378 -3.587 2.737 1.00 0.00 N ATOM 1365 CA LEU A 83 14.958 -2.273 2.977 1.00 0.00 C ATOM 1366 C LEU A 83 16.162 -2.377 3.896 1.00 0.00 C ATOM 1367 O LEU A 83 16.182 -3.184 4.827 1.00 0.00 O ATOM 1368 CB LEU A 83 13.921 -1.324 3.581 1.00 0.00 C ATOM 1369 CG LEU A 83 12.734 -1.007 2.672 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.790 -0.024 3.348 1.00 0.00 C ATOM 1371 CD2 LEU A 83 13.222 -0.452 1.343 1.00 0.00 C ATOM 0 H LEU A 83 13.495 -3.752 3.219 1.00 0.00 H new ATOM 0 HA LEU A 83 15.283 -1.870 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.545 -1.761 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 83 14.416 -0.390 3.847 1.00 0.00 H new ATOM 0 HG LEU A 83 12.186 -1.930 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.951 0.189 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.418 -0.457 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.324 0.901 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.366 -0.230 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.791 0.461 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.859 -1.188 0.853 1.00 0.00 H new ATOM 1383 N ALA A 84 17.159 -1.555 3.625 1.00 0.00 N ATOM 1384 CA ALA A 84 18.384 -1.552 4.401 1.00 0.00 C ATOM 1385 C ALA A 84 18.556 -0.223 5.119 1.00 0.00 C ATOM 1386 O ALA A 84 17.785 0.712 4.901 1.00 0.00 O ATOM 1387 CB ALA A 84 19.574 -1.819 3.491 1.00 0.00 C ATOM 0 H ALA A 84 17.143 -0.875 2.865 1.00 0.00 H new ATOM 0 HA ALA A 84 18.327 -2.342 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.491 -1.815 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.455 -2.791 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.630 -1.043 2.728 1.00 0.00 H new ATOM 1393 N THR A 85 19.587 -0.133 5.949 1.00 0.00 N ATOM 1394 CA THR A 85 19.887 1.088 6.695 1.00 0.00 C ATOM 1395 C THR A 85 20.419 2.174 5.761 1.00 0.00 C ATOM 1396 O THR A 85 20.638 3.320 6.158 1.00 0.00 O ATOM 1397 CB THR A 85 20.921 0.799 7.797 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.948 1.859 8.756 1.00 0.00 O ATOM 1399 CG2 THR A 85 22.314 0.607 7.219 1.00 0.00 C ATOM 0 H THR A 85 20.238 -0.899 6.125 1.00 0.00 H new ATOM 0 HA THR A 85 18.964 1.442 7.154 1.00 0.00 H new ATOM 0 HB THR A 85 20.618 -0.126 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.862 2.719 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 85 23.018 0.405 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 85 22.307 -0.233 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 85 22.617 1.511 6.691 1.00 0.00 H new ATOM 1407 N ASP A 86 20.616 1.779 4.515 1.00 0.00 N ATOM 1408 CA ASP A 86 21.122 2.667 3.469 1.00 0.00 C ATOM 1409 C ASP A 86 20.336 3.974 3.412 1.00 0.00 C ATOM 1410 O ASP A 86 20.915 5.060 3.453 1.00 0.00 O ATOM 1411 CB ASP A 86 21.059 1.973 2.105 1.00 0.00 C ATOM 1412 CG ASP A 86 21.394 2.912 0.959 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.587 3.220 0.764 1.00 0.00 O ATOM 1414 OD2 ASP A 86 20.463 3.346 0.249 1.00 0.00 O ATOM 0 H ASP A 86 20.430 0.829 4.193 1.00 0.00 H new ATOM 0 HA ASP A 86 22.158 2.901 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.753 1.132 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 86 20.060 1.564 1.955 1.00 0.00 H new ATOM 1419 N HIS A 87 19.019 3.867 3.339 1.00 0.00 N ATOM 1420 CA HIS A 87 18.179 5.047 3.219 1.00 0.00 C ATOM 1421 C HIS A 87 17.408 5.295 4.507 1.00 0.00 C ATOM 1422 O HIS A 87 16.652 4.436 4.959 1.00 0.00 O ATOM 1423 CB HIS A 87 17.203 4.893 2.050 1.00 0.00 C ATOM 1424 CG HIS A 87 16.639 6.195 1.569 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.341 7.050 0.753 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.450 6.796 1.804 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.614 8.123 0.508 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.458 7.997 1.135 1.00 0.00 N ATOM 0 H HIS A 87 18.512 2.982 3.361 1.00 0.00 H new ATOM 0 HA HIS A 87 18.826 5.903 3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 87 17.713 4.399 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.384 4.241 2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.643 6.405 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 87 16.913 8.963 -0.102 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.698 8.677 1.124 1.00 0.00 H new ATOM 1437 N PRO A 88 17.609 6.464 5.130 1.00 0.00 N ATOM 1438 CA PRO A 88 16.850 6.878 6.313 1.00 0.00 C ATOM 1439 C PRO A 88 15.390 7.162 5.966 1.00 0.00 C ATOM 1440 O PRO A 88 15.005 7.108 4.796 1.00 0.00 O ATOM 1441 CB PRO A 88 17.551 8.165 6.778 1.00 0.00 C ATOM 1442 CG PRO A 88 18.840 8.218 6.024 1.00 0.00 C ATOM 1443 CD PRO A 88 18.602 7.476 4.741 1.00 0.00 C ATOM 0 HA PRO A 88 16.831 6.103 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.939 9.042 6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.727 8.148 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 88 19.135 9.249 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.646 7.758 6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.224 8.133 3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.517 7.020 4.361 1.00 0.00 H new ATOM 1451 N GLN A 89 14.588 7.461 6.987 1.00 0.00 N ATOM 1452 CA GLN A 89 13.161 7.747 6.813 1.00 0.00 C ATOM 1453 C GLN A 89 12.416 6.509 6.314 1.00 0.00 C ATOM 1454 O GLN A 89 11.319 6.608 5.763 1.00 0.00 O ATOM 1455 CB GLN A 89 12.951 8.922 5.848 1.00 0.00 C ATOM 1456 CG GLN A 89 13.669 10.196 6.271 1.00 0.00 C ATOM 1457 CD GLN A 89 13.393 11.363 5.342 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.135 11.181 4.150 1.00 0.00 O ATOM 1459 NE2 GLN A 89 13.453 12.573 5.878 1.00 0.00 N ATOM 0 H GLN A 89 14.905 7.512 7.955 1.00 0.00 H new ATOM 0 HA GLN A 89 12.755 8.025 7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.297 8.632 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.884 9.127 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.362 10.462 7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.742 10.009 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.670 12.682 6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.283 13.396 5.300 1.00 0.00 H new ATOM 1468 N ARG A 90 13.004 5.338 6.544 1.00 0.00 N ATOM 1469 CA ARG A 90 12.425 4.083 6.078 1.00 0.00 C ATOM 1470 C ARG A 90 11.392 3.585 7.083 1.00 0.00 C ATOM 1471 O ARG A 90 10.456 2.867 6.729 1.00 0.00 O ATOM 1472 CB ARG A 90 13.527 3.031 5.864 1.00 0.00 C ATOM 1473 CG ARG A 90 13.912 2.264 7.122 1.00 0.00 C ATOM 1474 CD ARG A 90 15.294 1.642 7.005 1.00 0.00 C ATOM 1475 NE ARG A 90 16.338 2.663 6.958 1.00 0.00 N ATOM 1476 CZ ARG A 90 17.250 2.841 7.914 1.00 0.00 C ATOM 1477 NH1 ARG A 90 17.219 2.097 9.012 1.00 0.00 N ATOM 1478 NH2 ARG A 90 18.184 3.773 7.776 1.00 0.00 N ATOM 0 H ARG A 90 13.883 5.233 7.051 1.00 0.00 H new ATOM 0 HA ARG A 90 11.929 4.254 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.194 2.321 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.414 3.526 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.888 2.937 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.176 1.482 7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.469 0.980 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.343 1.028 6.106 1.00 0.00 H new ATOM 0 HE ARG A 90 16.371 3.277 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.496 1.387 9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.918 2.235 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.205 4.354 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.881 3.908 8.508 1.00 0.00 H new ATOM 1492 N ALA A 91 11.560 3.993 8.339 1.00 0.00 N ATOM 1493 CA ALA A 91 10.647 3.599 9.402 1.00 0.00 C ATOM 1494 C ALA A 91 9.270 4.195 9.165 1.00 0.00 C ATOM 1495 O ALA A 91 8.256 3.576 9.476 1.00 0.00 O ATOM 1496 CB ALA A 91 11.185 4.029 10.755 1.00 0.00 C ATOM 0 H ALA A 91 12.323 4.598 8.643 1.00 0.00 H new ATOM 0 HA ALA A 91 10.561 2.512 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.489 3.726 11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.153 3.558 10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.301 5.113 10.773 1.00 0.00 H new ATOM 1502 N LEU A 92 9.247 5.393 8.592 1.00 0.00 N ATOM 1503 CA LEU A 92 7.996 6.071 8.274 1.00 0.00 C ATOM 1504 C LEU A 92 7.189 5.251 7.273 1.00 0.00 C ATOM 1505 O LEU A 92 5.969 5.130 7.387 1.00 0.00 O ATOM 1506 CB LEU A 92 8.279 7.464 7.706 1.00 0.00 C ATOM 1507 CG LEU A 92 9.072 8.395 8.626 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.350 9.720 7.932 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.323 8.626 9.932 1.00 0.00 C ATOM 0 H LEU A 92 10.084 5.917 8.337 1.00 0.00 H new ATOM 0 HA LEU A 92 7.415 6.176 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.826 7.353 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.329 7.941 7.465 1.00 0.00 H new ATOM 0 HG LEU A 92 10.025 7.918 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.915 10.370 8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.928 9.542 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.406 10.199 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.904 9.290 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.355 9.080 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.174 7.673 10.439 1.00 0.00 H new ATOM 1521 N ILE A 93 7.888 4.675 6.303 1.00 0.00 N ATOM 1522 CA ILE A 93 7.256 3.835 5.298 1.00 0.00 C ATOM 1523 C ILE A 93 6.776 2.531 5.927 1.00 0.00 C ATOM 1524 O ILE A 93 5.638 2.113 5.721 1.00 0.00 O ATOM 1525 CB ILE A 93 8.228 3.521 4.139 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.788 4.821 3.550 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.528 2.703 3.059 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.825 4.607 2.466 1.00 0.00 C ATOM 0 H ILE A 93 8.897 4.776 6.192 1.00 0.00 H new ATOM 0 HA ILE A 93 6.403 4.382 4.896 1.00 0.00 H new ATOM 0 HB ILE A 93 9.056 2.931 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.965 5.407 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.232 5.410 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.229 2.492 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.173 1.765 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.681 3.267 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.173 5.573 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.668 4.049 2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.381 4.045 1.644 1.00 0.00 H new ATOM 1540 N LEU A 94 7.648 1.907 6.715 1.00 0.00 N ATOM 1541 CA LEU A 94 7.332 0.639 7.369 1.00 0.00 C ATOM 1542 C LEU A 94 6.140 0.784 8.312 1.00 0.00 C ATOM 1543 O LEU A 94 5.285 -0.099 8.378 1.00 0.00 O ATOM 1544 CB LEU A 94 8.548 0.115 8.136 1.00 0.00 C ATOM 1545 CG LEU A 94 9.770 -0.216 7.274 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.937 -0.652 8.146 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.430 -1.299 6.258 1.00 0.00 C ATOM 0 H LEU A 94 8.583 2.261 6.917 1.00 0.00 H new ATOM 0 HA LEU A 94 7.066 -0.078 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.838 0.859 8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.255 -0.782 8.682 1.00 0.00 H new ATOM 0 HG LEU A 94 10.062 0.684 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.796 -0.883 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.198 0.152 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.655 -1.538 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.310 -1.521 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.111 -2.201 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.625 -0.951 5.611 1.00 0.00 H new ATOM 1559 N ALA A 95 6.083 1.898 9.033 1.00 0.00 N ATOM 1560 CA ALA A 95 4.973 2.163 9.941 1.00 0.00 C ATOM 1561 C ALA A 95 3.659 2.262 9.175 1.00 0.00 C ATOM 1562 O ALA A 95 2.632 1.728 9.605 1.00 0.00 O ATOM 1563 CB ALA A 95 5.227 3.437 10.734 1.00 0.00 C ATOM 0 H ALA A 95 6.791 2.631 9.007 1.00 0.00 H new ATOM 0 HA ALA A 95 4.897 1.330 10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.389 3.620 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.142 3.327 11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.332 4.278 10.048 1.00 0.00 H new ATOM 1569 N GLU A 96 3.702 2.934 8.030 1.00 0.00 N ATOM 1570 CA GLU A 96 2.527 3.081 7.183 1.00 0.00 C ATOM 1571 C GLU A 96 2.130 1.720 6.605 1.00 0.00 C ATOM 1572 O GLU A 96 0.947 1.411 6.471 1.00 0.00 O ATOM 1573 CB GLU A 96 2.814 4.077 6.058 1.00 0.00 C ATOM 1574 CG GLU A 96 1.568 4.698 5.441 1.00 0.00 C ATOM 1575 CD GLU A 96 0.793 5.556 6.425 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.406 6.423 7.077 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.436 5.379 6.547 1.00 0.00 O ATOM 0 H GLU A 96 4.541 3.386 7.667 1.00 0.00 H new ATOM 0 HA GLU A 96 1.699 3.462 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.449 4.873 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.380 3.571 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.856 5.306 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.920 3.906 5.066 1.00 0.00 H new ATOM 1584 N LEU A 97 3.133 0.905 6.287 1.00 0.00 N ATOM 1585 CA LEU A 97 2.902 -0.442 5.775 1.00 0.00 C ATOM 1586 C LEU A 97 2.237 -1.321 6.828 1.00 0.00 C ATOM 1587 O LEU A 97 1.312 -2.066 6.524 1.00 0.00 O ATOM 1588 CB LEU A 97 4.215 -1.078 5.317 1.00 0.00 C ATOM 1589 CG LEU A 97 4.887 -0.396 4.126 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.215 -1.062 3.808 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.974 -0.422 2.909 1.00 0.00 C ATOM 0 H LEU A 97 4.118 1.156 6.376 1.00 0.00 H new ATOM 0 HA LEU A 97 2.232 -0.362 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.912 -1.079 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.025 -2.120 5.059 1.00 0.00 H new ATOM 0 HG LEU A 97 5.078 0.644 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.678 -0.562 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.874 -0.991 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.047 -2.111 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.470 0.068 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.750 -1.455 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.046 0.102 3.139 1.00 0.00 H new ATOM 1603 N GLU A 98 2.713 -1.227 8.066 1.00 0.00 N ATOM 1604 CA GLU A 98 2.105 -1.949 9.183 1.00 0.00 C ATOM 1605 C GLU A 98 0.629 -1.590 9.322 1.00 0.00 C ATOM 1606 O GLU A 98 -0.201 -2.433 9.677 1.00 0.00 O ATOM 1607 CB GLU A 98 2.840 -1.625 10.484 1.00 0.00 C ATOM 1608 CG GLU A 98 4.118 -2.419 10.686 1.00 0.00 C ATOM 1609 CD GLU A 98 3.843 -3.884 10.946 1.00 0.00 C ATOM 1610 OE1 GLU A 98 3.311 -4.206 12.030 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.150 -4.720 10.075 1.00 0.00 O ATOM 0 H GLU A 98 3.519 -0.657 8.323 1.00 0.00 H new ATOM 0 HA GLU A 98 2.186 -3.017 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.079 -0.562 10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.171 -1.813 11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.749 -2.320 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.675 -2.001 11.524 1.00 0.00 H new ATOM 1618 N LYS A 99 0.313 -0.336 9.038 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.057 0.148 9.093 1.00 0.00 C ATOM 1620 C LYS A 99 -1.869 -0.453 7.944 1.00 0.00 C ATOM 1621 O LYS A 99 -3.013 -0.871 8.125 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.058 1.675 9.004 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.367 2.331 9.406 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.347 3.820 9.091 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.129 4.506 9.695 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.959 5.890 9.180 1.00 0.00 N ATOM 0 H LYS A 99 0.995 0.371 8.764 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.514 -0.155 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.262 2.063 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.820 1.966 7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.194 1.855 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.540 2.183 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.347 3.964 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.255 4.286 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.228 4.532 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.236 3.923 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.015 6.242 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.059 5.890 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.684 6.507 9.598 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.245 -0.507 6.770 1.00 0.00 N ATOM 1641 CA LEU A 100 -1.866 -1.069 5.576 1.00 0.00 C ATOM 1642 C LEU A 100 -2.118 -2.565 5.745 1.00 0.00 C ATOM 1643 O LEU A 100 -3.227 -3.046 5.506 1.00 0.00 O ATOM 1644 CB LEU A 100 -0.968 -0.820 4.356 1.00 0.00 C ATOM 1645 CG LEU A 100 -1.486 -1.383 3.028 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -2.806 -0.732 2.642 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -0.452 -1.187 1.930 1.00 0.00 C ATOM 0 H LEU A 100 -0.296 -0.163 6.621 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.827 -0.578 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.827 0.255 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.013 -1.251 4.555 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.660 -2.452 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.154 -1.148 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.547 -0.925 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.664 0.343 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.835 -1.592 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.247 -0.123 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.468 -1.705 2.200 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.085 -3.289 6.171 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.192 -4.729 6.408 1.00 0.00 C ATOM 1661 C ASP A 101 -2.322 -5.034 7.384 1.00 0.00 C ATOM 1662 O ASP A 101 -3.022 -6.036 7.247 1.00 0.00 O ATOM 1663 CB ASP A 101 0.121 -5.294 6.965 1.00 0.00 C ATOM 1664 CG ASP A 101 1.227 -5.411 5.929 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.957 -5.236 4.725 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.379 -5.701 6.324 1.00 0.00 O ATOM 0 H ASP A 101 -0.161 -2.901 6.360 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.406 -5.202 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.464 -4.655 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.070 -6.279 7.392 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.498 -4.155 8.365 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.551 -4.314 9.360 1.00 0.00 C ATOM 1673 C ALA A 102 -4.934 -4.215 8.723 1.00 0.00 C ATOM 1674 O ALA A 102 -5.886 -4.846 9.183 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.400 -3.275 10.458 1.00 0.00 C ATOM 0 H ALA A 102 -1.922 -3.323 8.492 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.453 -5.308 9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.193 -3.406 11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.431 -3.396 10.943 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.467 -2.277 10.026 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.042 -3.430 7.658 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.304 -3.279 6.945 1.00 0.00 C ATOM 1683 C LEU A 103 -6.623 -4.539 6.153 1.00 0.00 C ATOM 1684 O LEU A 103 -7.786 -4.916 6.007 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.256 -2.068 6.015 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.165 -0.717 6.724 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.070 0.412 5.714 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.365 -0.517 7.638 1.00 0.00 C ATOM 0 H LEU A 103 -4.270 -2.888 7.269 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.093 -3.120 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.398 -2.172 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.148 -2.074 5.388 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.261 -0.707 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.006 1.365 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.180 0.276 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.955 0.407 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.286 0.449 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.281 -0.547 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.389 -1.310 8.386 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.581 -5.200 5.660 1.00 0.00 N ATOM 1701 CA PHE A 104 -5.745 -6.459 4.942 1.00 0.00 C ATOM 1702 C PHE A 104 -6.057 -7.600 5.901 1.00 0.00 C ATOM 1703 O PHE A 104 -6.369 -8.713 5.477 1.00 0.00 O ATOM 1704 CB PHE A 104 -4.498 -6.775 4.118 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.353 -5.901 2.908 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.041 -6.199 1.747 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -3.537 -4.785 2.930 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -4.920 -5.402 0.627 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -3.412 -3.983 1.812 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.104 -4.293 0.659 1.00 0.00 C ATOM 0 H PHE A 104 -4.614 -4.885 5.744 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.590 -6.350 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.616 -6.662 4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.533 -7.818 3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.682 -7.068 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.992 -4.538 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.464 -5.647 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.772 -3.113 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.006 -3.668 -0.216 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.965 -7.318 7.191 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.342 -8.276 8.215 1.00 0.00 C ATOM 1722 C ALA A 105 -7.697 -7.902 8.811 1.00 0.00 C ATOM 1723 O ALA A 105 -8.241 -8.617 9.655 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.282 -8.336 9.302 1.00 0.00 C ATOM 0 H ALA A 105 -5.630 -6.426 7.554 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.422 -9.263 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.580 -9.059 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.330 -8.640 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.174 -7.353 9.760 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.232 -6.772 8.362 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.515 -6.279 8.849 1.00 0.00 C ATOM 1732 C ASP A 106 -10.644 -6.761 7.948 1.00 0.00 C ATOM 1733 O ASP A 106 -11.589 -7.400 8.411 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.516 -4.750 8.917 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.830 -4.191 9.427 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.766 -4.030 8.624 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -10.928 -3.892 10.634 1.00 0.00 O ATOM 0 H ASP A 106 -7.794 -6.178 7.658 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.672 -6.672 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.707 -4.418 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.314 -4.346 7.925 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.542 -6.450 6.660 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.503 -6.950 5.684 1.00 0.00 C ATOM 1744 C ASP A 107 -11.179 -8.408 5.414 1.00 0.00 C ATOM 1745 O ASP A 107 -10.250 -8.726 4.672 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.445 -6.137 4.388 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.720 -6.232 3.571 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -12.865 -7.179 2.769 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.578 -5.338 3.709 1.00 0.00 O ATOM 0 H ASP A 107 -9.809 -5.858 6.270 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.515 -6.854 6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.252 -5.092 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.607 -6.485 3.785 1.00 0.00 H new ATOM 1754 N ALA A 108 -11.917 -9.288 6.062 1.00 0.00 N ATOM 1755 CA ALA A 108 -11.560 -10.691 6.101 1.00 0.00 C ATOM 1756 C ALA A 108 -12.168 -11.482 4.955 1.00 0.00 C ATOM 1757 O ALA A 108 -13.313 -11.256 4.554 1.00 0.00 O ATOM 1758 CB ALA A 108 -11.980 -11.294 7.430 1.00 0.00 C ATOM 0 H ALA A 108 -12.770 -9.054 6.570 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.477 -10.751 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -11.709 -12.349 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.475 -10.772 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.059 -11.194 7.550 1.00 0.00 H new ATOM 1764 N SER A 109 -11.378 -12.398 4.429 1.00 0.00 N ATOM 1765 CA SER A 109 -11.863 -13.378 3.480 1.00 0.00 C ATOM 1766 C SER A 109 -12.313 -14.619 4.245 1.00 0.00 C ATOM 1767 O SER A 109 -11.617 -15.071 5.155 1.00 0.00 O ATOM 1768 CB SER A 109 -10.754 -13.750 2.496 1.00 0.00 C ATOM 1769 OG SER A 109 -10.074 -12.599 2.021 1.00 0.00 O ATOM 0 H SER A 109 -10.385 -12.483 4.647 1.00 0.00 H new ATOM 0 HA SER A 109 -12.700 -12.963 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.044 -14.419 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.181 -14.295 1.654 1.00 0.00 H new ATOM 0 HG SER A 109 -10.594 -11.798 2.240 1.00 0.00 H new ATOM 1775 N LEU A 110 -13.473 -15.158 3.895 1.00 0.00 N ATOM 1776 CA LEU A 110 -13.978 -16.356 4.554 1.00 0.00 C ATOM 1777 C LEU A 110 -13.080 -17.549 4.232 1.00 0.00 C ATOM 1778 O LEU A 110 -12.897 -18.447 5.055 1.00 0.00 O ATOM 1779 CB LEU A 110 -15.423 -16.636 4.131 1.00 0.00 C ATOM 1780 CG LEU A 110 -16.100 -17.811 4.844 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -16.012 -17.651 6.354 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -17.552 -17.923 4.409 1.00 0.00 C ATOM 0 H LEU A 110 -14.079 -14.788 3.163 1.00 0.00 H new ATOM 0 HA LEU A 110 -13.967 -16.193 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -16.015 -15.738 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -15.439 -16.826 3.058 1.00 0.00 H new ATOM 0 HG LEU A 110 -15.577 -18.727 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -16.499 -18.497 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -14.965 -17.614 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -16.508 -16.727 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -18.022 -18.762 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -18.079 -17.002 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -17.598 -18.085 3.332 1.00 0.00 H new ATOM 1794 N GLU A 111 -12.517 -17.548 3.029 1.00 0.00 N ATOM 1795 CA GLU A 111 -11.540 -18.554 2.646 1.00 0.00 C ATOM 1796 C GLU A 111 -10.135 -18.040 2.951 1.00 0.00 C ATOM 1797 O GLU A 111 -9.866 -16.840 2.858 1.00 0.00 O ATOM 1798 CB GLU A 111 -11.681 -18.917 1.163 1.00 0.00 C ATOM 1799 CG GLU A 111 -10.736 -20.024 0.709 1.00 0.00 C ATOM 1800 CD GLU A 111 -10.886 -21.298 1.522 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -10.365 -21.351 2.658 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -11.522 -22.256 1.030 1.00 0.00 O ATOM 0 H GLU A 111 -12.722 -16.861 2.304 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.719 -19.461 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.708 -19.227 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.498 -18.027 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.922 -20.245 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.708 -19.670 0.783 1.00 0.00 H new ATOM 1809 N HIS A 112 -9.246 -18.949 3.313 1.00 0.00 N ATOM 1810 CA HIS A 112 -7.920 -18.580 3.788 1.00 0.00 C ATOM 1811 C HIS A 112 -6.840 -18.876 2.755 1.00 0.00 C ATOM 1812 O HIS A 112 -6.827 -19.943 2.142 1.00 0.00 O ATOM 1813 CB HIS A 112 -7.585 -19.341 5.073 1.00 0.00 C ATOM 1814 CG HIS A 112 -8.329 -18.887 6.291 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -7.698 -18.369 7.400 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -9.648 -18.917 6.593 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -8.595 -18.103 8.329 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -9.789 -18.427 7.868 1.00 0.00 N ATOM 0 H HIS A 112 -9.418 -19.954 3.287 1.00 0.00 H new ATOM 0 HA HIS A 112 -7.939 -17.506 3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -7.790 -20.400 4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -6.516 -19.249 5.264 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -6.694 -18.215 7.489 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.443 -19.263 5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.388 -17.689 9.305 1.00 0.00 H new ATOM 1827 N HIS A 113 -5.939 -17.922 2.560 1.00 0.00 N ATOM 1828 CA HIS A 113 -4.706 -18.177 1.822 1.00 0.00 C ATOM 1829 C HIS A 113 -3.642 -18.674 2.793 1.00 0.00 C ATOM 1830 O HIS A 113 -2.675 -19.332 2.409 1.00 0.00 O ATOM 1831 CB HIS A 113 -4.232 -16.919 1.086 1.00 0.00 C ATOM 1832 CG HIS A 113 -5.027 -16.616 -0.149 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -6.200 -15.892 -0.134 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -4.814 -16.951 -1.443 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -6.671 -15.797 -1.363 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -5.850 -16.429 -2.178 1.00 0.00 N ATOM 0 H HIS A 113 -6.037 -16.966 2.901 1.00 0.00 H new ATOM 0 HA HIS A 113 -4.892 -18.940 1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -4.289 -16.067 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.184 -17.040 0.814 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -6.636 -15.492 0.697 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.982 -17.523 -1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -7.578 -15.287 -1.653 1.00 0.00 H new ATOM 1845 N HIS A 114 -3.836 -18.338 4.059 1.00 0.00 N ATOM 1846 CA HIS A 114 -3.078 -18.927 5.151 1.00 0.00 C ATOM 1847 C HIS A 114 -4.059 -19.558 6.122 1.00 0.00 C ATOM 1848 O HIS A 114 -4.972 -18.885 6.604 1.00 0.00 O ATOM 1849 CB HIS A 114 -2.206 -17.885 5.860 1.00 0.00 C ATOM 1850 CG HIS A 114 -0.908 -17.611 5.163 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -0.185 -16.447 5.331 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -0.188 -18.373 4.306 1.00 0.00 C ATOM 1853 CE1 HIS A 114 0.918 -16.509 4.608 1.00 0.00 C ATOM 1854 NE2 HIS A 114 0.941 -17.668 3.978 1.00 0.00 N ATOM 0 H HIS A 114 -4.525 -17.648 4.358 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.401 -19.683 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.766 -16.954 5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -1.999 -18.227 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -0.454 -19.356 3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 114 1.674 -15.740 4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 114 1.678 -17.987 3.350 1.00 0.00 H new ATOM 1863 N HIS A 115 -3.867 -20.840 6.400 1.00 0.00 N ATOM 1864 CA HIS A 115 -4.869 -21.643 7.104 1.00 0.00 C ATOM 1865 C HIS A 115 -5.230 -21.067 8.466 1.00 0.00 C ATOM 1866 O HIS A 115 -6.393 -21.095 8.865 1.00 0.00 O ATOM 1867 CB HIS A 115 -4.400 -23.090 7.256 1.00 0.00 C ATOM 1868 CG HIS A 115 -4.474 -23.876 5.985 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -5.569 -24.636 5.633 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -3.584 -24.016 4.975 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -5.348 -25.207 4.463 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -4.151 -24.846 4.043 1.00 0.00 N ATOM 0 H HIS A 115 -3.022 -21.353 6.149 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.770 -21.619 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -3.372 -23.095 7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.007 -23.583 8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -2.608 -23.558 4.915 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.031 -25.859 3.939 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -3.718 -25.137 3.167 1.00 0.00 H new ATOM 1881 N HIS A 116 -4.245 -20.546 9.178 1.00 0.00 N ATOM 1882 CA HIS A 116 -4.510 -19.936 10.472 1.00 0.00 C ATOM 1883 C HIS A 116 -4.241 -18.441 10.393 1.00 0.00 C ATOM 1884 O HIS A 116 -5.146 -17.648 10.138 1.00 0.00 O ATOM 1885 CB HIS A 116 -3.650 -20.570 11.575 1.00 0.00 C ATOM 1886 CG HIS A 116 -3.664 -22.065 11.577 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -2.592 -22.819 11.154 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -4.620 -22.948 11.951 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -2.885 -24.100 11.270 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -4.108 -24.206 11.750 1.00 0.00 N ATOM 0 H HIS A 116 -3.267 -20.532 8.888 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.556 -20.108 10.726 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.622 -20.227 11.461 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -4.000 -20.213 12.544 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.600 -22.708 12.335 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.233 -24.923 11.015 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.595 -25.081 11.941 1.00 0.00 H new ATOM 1899 N HIS A 117 -2.984 -18.072 10.582 1.00 0.00 N ATOM 1900 CA HIS A 117 -2.563 -16.682 10.514 1.00 0.00 C ATOM 1901 C HIS A 117 -1.119 -16.613 10.053 1.00 0.00 C ATOM 1902 O HIS A 117 -0.222 -16.595 10.919 1.00 0.00 O ATOM 1903 CB HIS A 117 -2.713 -15.990 11.876 1.00 0.00 C ATOM 1904 CG HIS A 117 -4.123 -15.621 12.221 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -4.885 -16.303 13.148 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -4.909 -14.621 11.759 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -6.074 -15.738 13.238 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -6.114 -14.715 12.408 1.00 0.00 N ATOM 1909 OXT HIS A 117 -0.885 -16.603 8.830 1.00 0.00 O ATOM 0 H HIS A 117 -2.229 -18.726 10.786 1.00 0.00 H new ATOM 0 HA HIS A 117 -3.202 -16.162 9.801 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -2.321 -16.648 12.651 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -2.100 -15.088 11.883 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -4.638 -13.885 11.017 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -6.878 -16.060 13.883 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -6.911 -14.094 12.271 1.00 0.00 H new TER 1918 HIS A 117