USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.0715 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= -0.276 USER MOD Set 2.1: A 36 GLN : amide:sc= -17! C(o=-21!,f=-23!) USER MOD Set 2.2: A 48 ASN : amide:sc= -4.33! C(o=-21!,f=-34!) USER MOD Set 3.1: A 37 CYS SG : rot -60:sc= -9.86! USER MOD Set 3.2: A 47 CYS SG : rot -88:sc= -13.9! USER MOD Set 4.1: A 27 GLN : amide:sc= -0.768 K(o=-2.2,f=-1.1) USER MOD Set 4.2: A 32 TYR OH : rot 0:sc= 0.407 USER MOD Set 4.3: A 103 ASN : amide:sc= -1.87! X(o=-2.2!,f=-2.4) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.03 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0772 USER MOD Single : A 8 THR OG1 : rot 180:sc= -2.84! USER MOD Single : A 10 SER OG : rot 34:sc= -2.97! USER MOD Single : A 11 SER OG : rot 33:sc= 0.653 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 101:sc= -1.24! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 35:sc= 0.649 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0655 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 70:sc= -2.14! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 94 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.072) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.76! C(o=-4.8!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.653 14.504 -6.387 1.00 0.00 N ATOM 2 CA ALA A 1 1.911 14.760 -5.714 1.00 0.00 C ATOM 3 C ALA A 1 2.273 13.574 -4.831 1.00 0.00 C ATOM 4 O ALA A 1 1.406 12.996 -4.179 1.00 0.00 O ATOM 5 CB ALA A 1 1.793 16.036 -4.885 1.00 0.00 C ATOM 0 H1 ALA A 1 0.114 15.390 -6.465 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.839 14.127 -7.338 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.102 13.811 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 1 2.703 14.894 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.739 16.229 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.554 16.874 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.002 15.917 -4.144 1.00 0.00 H new ATOM 11 N ALA A 2 3.558 13.213 -4.811 1.00 0.00 N ATOM 12 CA ALA A 2 4.027 12.100 -4.011 1.00 0.00 C ATOM 13 C ALA A 2 5.373 12.442 -3.390 1.00 0.00 C ATOM 14 O ALA A 2 6.320 12.775 -4.099 1.00 0.00 O ATOM 15 CB ALA A 2 4.137 10.855 -4.887 1.00 0.00 C ATOM 0 H ALA A 2 4.289 13.683 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 2 3.318 11.901 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.490 10.017 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.159 10.616 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.841 11.042 -5.698 1.00 0.00 H new ATOM 21 N PRO A 3 5.457 12.361 -2.060 1.00 0.00 N ATOM 22 CA PRO A 3 6.654 12.648 -1.298 1.00 0.00 C ATOM 23 C PRO A 3 7.668 11.531 -1.502 1.00 0.00 C ATOM 24 O PRO A 3 7.414 10.587 -2.247 1.00 0.00 O ATOM 25 CB PRO A 3 6.189 12.707 0.155 1.00 0.00 C ATOM 26 CG PRO A 3 5.006 11.740 0.171 1.00 0.00 C ATOM 27 CD PRO A 3 4.364 11.973 -1.195 1.00 0.00 C ATOM 0 HA PRO A 3 7.138 13.577 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.975 12.397 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.891 13.715 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.329 10.707 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.315 11.958 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.873 11.071 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.603 12.752 -1.146 1.00 0.00 H new ATOM 35 N THR A 4 8.821 11.639 -0.837 1.00 0.00 N ATOM 36 CA THR A 4 9.862 10.639 -0.952 1.00 0.00 C ATOM 37 C THR A 4 9.848 9.733 0.271 1.00 0.00 C ATOM 38 O THR A 4 10.209 10.157 1.366 1.00 0.00 O ATOM 39 CB THR A 4 11.216 11.329 -1.097 1.00 0.00 C ATOM 40 OG1 THR A 4 11.443 11.637 -2.454 1.00 0.00 O ATOM 41 CG2 THR A 4 12.317 10.400 -0.595 1.00 0.00 C ATOM 0 H THR A 4 9.049 12.414 -0.214 1.00 0.00 H new ATOM 0 HA THR A 4 9.684 10.026 -1.835 1.00 0.00 H new ATOM 0 HB THR A 4 11.221 12.247 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.311 12.082 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.284 10.892 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.142 10.162 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.313 9.481 -1.181 1.00 0.00 H new ATOM 49 N ALA A 5 9.428 8.480 0.081 1.00 0.00 N ATOM 50 CA ALA A 5 9.368 7.521 1.166 1.00 0.00 C ATOM 51 C ALA A 5 10.190 6.290 0.812 1.00 0.00 C ATOM 52 O ALA A 5 10.198 5.856 -0.337 1.00 0.00 O ATOM 53 CB ALA A 5 7.913 7.143 1.428 1.00 0.00 C ATOM 0 H ALA A 5 9.125 8.113 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 5 9.784 7.963 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.866 6.422 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.348 8.035 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.484 6.702 0.528 1.00 0.00 H new ATOM 59 N THR A 6 10.884 5.727 1.804 1.00 0.00 N ATOM 60 CA THR A 6 11.703 4.551 1.589 1.00 0.00 C ATOM 61 C THR A 6 11.009 3.324 2.162 1.00 0.00 C ATOM 62 O THR A 6 10.770 3.247 3.365 1.00 0.00 O ATOM 63 CB THR A 6 13.067 4.756 2.242 1.00 0.00 C ATOM 64 OG1 THR A 6 12.912 5.500 3.430 1.00 0.00 O ATOM 65 CG2 THR A 6 13.982 5.512 1.284 1.00 0.00 C ATOM 0 H THR A 6 10.889 6.074 2.763 1.00 0.00 H new ATOM 0 HA THR A 6 11.846 4.394 0.520 1.00 0.00 H new ATOM 0 HB THR A 6 13.507 3.787 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.787 5.631 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.956 5.658 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.102 4.937 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.542 6.482 1.050 1.00 0.00 H new ATOM 73 N VAL A 7 10.685 2.362 1.295 1.00 0.00 N ATOM 74 CA VAL A 7 10.022 1.144 1.716 1.00 0.00 C ATOM 75 C VAL A 7 10.930 -0.051 1.465 1.00 0.00 C ATOM 76 O VAL A 7 11.760 -0.022 0.558 1.00 0.00 O ATOM 77 CB VAL A 7 8.707 0.994 0.957 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.121 2.374 0.675 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.962 0.270 -0.362 1.00 0.00 C ATOM 0 H VAL A 7 10.876 2.412 0.294 1.00 0.00 H new ATOM 0 HA VAL A 7 9.807 1.192 2.783 1.00 0.00 H new ATOM 0 HB VAL A 7 8.004 0.418 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.182 2.267 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.939 2.891 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.823 2.951 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.023 0.162 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.665 0.846 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.380 -0.716 -0.161 1.00 0.00 H new ATOM 89 N THR A 8 10.772 -1.104 2.269 1.00 0.00 N ATOM 90 CA THR A 8 11.578 -2.299 2.125 1.00 0.00 C ATOM 91 C THR A 8 11.119 -3.091 0.909 1.00 0.00 C ATOM 92 O THR A 8 10.025 -2.868 0.396 1.00 0.00 O ATOM 93 CB THR A 8 11.467 -3.142 3.392 1.00 0.00 C ATOM 94 OG1 THR A 8 12.753 -3.552 3.799 1.00 0.00 O ATOM 95 CG2 THR A 8 10.606 -4.371 3.112 1.00 0.00 C ATOM 0 H THR A 8 10.089 -1.145 3.026 1.00 0.00 H new ATOM 0 HA THR A 8 12.622 -2.021 1.978 1.00 0.00 H new ATOM 0 HB THR A 8 11.008 -2.549 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.682 -4.092 4.614 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.527 -4.973 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.611 -4.055 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.065 -4.964 2.321 1.00 0.00 H new ATOM 103 N PRO A 9 11.961 -4.020 0.449 1.00 0.00 N ATOM 104 CA PRO A 9 11.694 -4.868 -0.693 1.00 0.00 C ATOM 105 C PRO A 9 10.641 -5.903 -0.325 1.00 0.00 C ATOM 106 O PRO A 9 10.842 -6.699 0.589 1.00 0.00 O ATOM 107 CB PRO A 9 13.032 -5.536 -1.005 1.00 0.00 C ATOM 108 CG PRO A 9 13.701 -5.611 0.366 1.00 0.00 C ATOM 109 CD PRO A 9 13.255 -4.309 1.028 1.00 0.00 C ATOM 0 HA PRO A 9 11.311 -4.316 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.898 -6.525 -1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.621 -4.951 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.373 -6.485 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.786 -5.673 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.188 -4.419 2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.964 -3.504 0.833 1.00 0.00 H new ATOM 117 N SER A 10 9.513 -5.890 -1.040 1.00 0.00 N ATOM 118 CA SER A 10 8.436 -6.825 -0.785 1.00 0.00 C ATOM 119 C SER A 10 8.171 -7.660 -2.030 1.00 0.00 C ATOM 120 O SER A 10 7.123 -8.291 -2.145 1.00 0.00 O ATOM 121 CB SER A 10 7.184 -6.057 -0.372 1.00 0.00 C ATOM 122 OG SER A 10 6.882 -6.342 0.976 1.00 0.00 O ATOM 0 H SER A 10 9.330 -5.236 -1.801 1.00 0.00 H new ATOM 0 HA SER A 10 8.718 -7.498 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.341 -4.986 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.346 -6.336 -1.011 1.00 0.00 H new ATOM 0 HG SER A 10 7.714 -6.475 1.476 1.00 0.00 H new ATOM 128 N SER A 11 9.126 -7.663 -2.963 1.00 0.00 N ATOM 129 CA SER A 11 8.991 -8.420 -4.191 1.00 0.00 C ATOM 130 C SER A 11 9.747 -9.736 -4.072 1.00 0.00 C ATOM 131 O SER A 11 10.970 -9.743 -3.952 1.00 0.00 O ATOM 132 CB SER A 11 9.523 -7.594 -5.358 1.00 0.00 C ATOM 133 OG SER A 11 10.877 -7.274 -5.129 1.00 0.00 O ATOM 0 H SER A 11 10.001 -7.145 -2.883 1.00 0.00 H new ATOM 0 HA SER A 11 7.939 -8.643 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.423 -8.153 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.936 -6.682 -5.469 1.00 0.00 H new ATOM 0 HG SER A 11 11.305 -8.002 -4.632 1.00 0.00 H new ATOM 139 N GLY A 12 9.016 -10.852 -4.106 1.00 0.00 N ATOM 140 CA GLY A 12 9.625 -12.164 -4.003 1.00 0.00 C ATOM 141 C GLY A 12 9.395 -12.744 -2.614 1.00 0.00 C ATOM 142 O GLY A 12 9.833 -13.855 -2.323 1.00 0.00 O ATOM 0 H GLY A 12 8.001 -10.865 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.203 -12.829 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.694 -12.093 -4.203 1.00 0.00 H new ATOM 146 N LEU A 13 8.706 -11.987 -1.756 1.00 0.00 N ATOM 147 CA LEU A 13 8.422 -12.428 -0.405 1.00 0.00 C ATOM 148 C LEU A 13 6.923 -12.631 -0.233 1.00 0.00 C ATOM 149 O LEU A 13 6.125 -11.869 -0.772 1.00 0.00 O ATOM 150 CB LEU A 13 8.945 -11.393 0.587 1.00 0.00 C ATOM 151 CG LEU A 13 8.652 -9.991 0.060 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.231 -9.590 0.443 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.642 -9.002 0.670 1.00 0.00 C ATOM 0 H LEU A 13 8.337 -11.063 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 13 8.921 -13.378 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.473 -11.534 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.018 -11.522 0.732 1.00 0.00 H new ATOM 0 HG LEU A 13 8.751 -9.982 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.022 -8.589 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.524 -10.296 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.131 -9.598 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.434 -8.000 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.543 -9.010 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.658 -9.288 0.396 1.00 0.00 H new ATOM 165 N SER A 14 6.543 -13.664 0.523 1.00 0.00 N ATOM 166 CA SER A 14 5.145 -13.960 0.763 1.00 0.00 C ATOM 167 C SER A 14 4.780 -13.602 2.197 1.00 0.00 C ATOM 168 O SER A 14 5.548 -12.936 2.888 1.00 0.00 O ATOM 169 CB SER A 14 4.886 -15.439 0.492 1.00 0.00 C ATOM 170 OG SER A 14 5.393 -16.208 1.560 1.00 0.00 O ATOM 0 H SER A 14 7.193 -14.306 0.977 1.00 0.00 H new ATOM 0 HA SER A 14 4.523 -13.367 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.817 -15.617 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.361 -15.737 -0.443 1.00 0.00 H new ATOM 0 HG SER A 14 5.225 -17.158 1.387 1.00 0.00 H new ATOM 176 N ASP A 15 3.604 -14.047 2.644 1.00 0.00 N ATOM 177 CA ASP A 15 3.144 -13.773 3.990 1.00 0.00 C ATOM 178 C ASP A 15 4.295 -13.940 4.972 1.00 0.00 C ATOM 179 O ASP A 15 5.232 -14.691 4.709 1.00 0.00 O ATOM 180 CB ASP A 15 1.995 -14.716 4.337 1.00 0.00 C ATOM 181 CG ASP A 15 1.172 -14.168 5.494 1.00 0.00 C ATOM 182 OD1 ASP A 15 0.312 -13.304 5.220 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.418 -14.624 6.632 1.00 0.00 O ATOM 0 H ASP A 15 2.956 -14.601 2.084 1.00 0.00 H new ATOM 0 HA ASP A 15 2.784 -12.746 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.356 -14.854 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.391 -15.697 4.600 1.00 0.00 H new ATOM 188 N GLY A 16 4.224 -13.239 6.106 1.00 0.00 N ATOM 189 CA GLY A 16 5.261 -13.317 7.115 1.00 0.00 C ATOM 190 C GLY A 16 6.267 -12.190 6.926 1.00 0.00 C ATOM 191 O GLY A 16 6.958 -11.808 7.867 1.00 0.00 O ATOM 0 H GLY A 16 3.454 -12.612 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.817 -13.255 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.767 -14.280 7.052 1.00 0.00 H new ATOM 195 N THR A 17 6.347 -11.658 5.705 1.00 0.00 N ATOM 196 CA THR A 17 7.267 -10.579 5.403 1.00 0.00 C ATOM 197 C THR A 17 6.682 -9.254 5.870 1.00 0.00 C ATOM 198 O THR A 17 5.481 -9.024 5.746 1.00 0.00 O ATOM 199 CB THR A 17 7.541 -10.551 3.902 1.00 0.00 C ATOM 200 OG1 THR A 17 7.926 -11.836 3.470 1.00 0.00 O ATOM 201 CG2 THR A 17 8.663 -9.558 3.609 1.00 0.00 C ATOM 0 H THR A 17 5.781 -11.963 4.913 1.00 0.00 H new ATOM 0 HA THR A 17 8.208 -10.741 5.928 1.00 0.00 H new ATOM 0 HB THR A 17 6.638 -10.246 3.373 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.162 -12.281 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.860 -9.537 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.365 -8.564 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.566 -9.863 4.138 1.00 0.00 H new ATOM 209 N VAL A 18 7.537 -8.380 6.407 1.00 0.00 N ATOM 210 CA VAL A 18 7.105 -7.084 6.889 1.00 0.00 C ATOM 211 C VAL A 18 7.822 -5.984 6.120 1.00 0.00 C ATOM 212 O VAL A 18 9.023 -5.788 6.289 1.00 0.00 O ATOM 213 CB VAL A 18 7.392 -6.976 8.384 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.901 -6.964 8.612 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.786 -5.684 8.926 1.00 0.00 C ATOM 0 H VAL A 18 8.536 -8.556 6.515 1.00 0.00 H new ATOM 0 HA VAL A 18 6.033 -6.971 6.730 1.00 0.00 H new ATOM 0 HB VAL A 18 6.953 -7.829 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.107 -6.887 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.335 -7.886 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.340 -6.111 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.991 -5.606 9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.226 -4.831 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.708 -5.691 8.763 1.00 0.00 H new ATOM 225 N VAL A 19 7.081 -5.264 5.274 1.00 0.00 N ATOM 226 CA VAL A 19 7.648 -4.189 4.485 1.00 0.00 C ATOM 227 C VAL A 19 7.695 -2.913 5.313 1.00 0.00 C ATOM 228 O VAL A 19 6.995 -2.795 6.316 1.00 0.00 O ATOM 229 CB VAL A 19 6.810 -3.986 3.226 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.328 -4.003 3.593 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.161 -2.643 2.592 1.00 0.00 C ATOM 0 H VAL A 19 6.083 -5.414 5.124 1.00 0.00 H new ATOM 0 HA VAL A 19 8.665 -4.446 4.190 1.00 0.00 H new ATOM 0 HB VAL A 19 7.019 -4.788 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.729 -3.858 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.076 -4.962 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.119 -3.201 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.563 -2.498 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.953 -1.841 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.219 -2.630 2.330 1.00 0.00 H new ATOM 241 N LYS A 20 8.524 -1.955 4.891 1.00 0.00 N ATOM 242 CA LYS A 20 8.656 -0.695 5.595 1.00 0.00 C ATOM 243 C LYS A 20 8.247 0.453 4.684 1.00 0.00 C ATOM 244 O LYS A 20 8.388 0.363 3.466 1.00 0.00 O ATOM 245 CB LYS A 20 10.098 -0.525 6.065 1.00 0.00 C ATOM 246 CG LYS A 20 10.122 -0.350 7.580 1.00 0.00 C ATOM 247 CD LYS A 20 10.402 1.111 7.921 1.00 0.00 C ATOM 248 CE LYS A 20 11.423 1.183 9.052 1.00 0.00 C ATOM 249 NZ LYS A 20 12.342 2.316 8.862 1.00 0.00 N ATOM 0 H LYS A 20 9.112 -2.037 4.062 1.00 0.00 H new ATOM 0 HA LYS A 20 8.000 -0.691 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.690 -1.395 5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.550 0.341 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.167 -0.657 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.888 -0.990 8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.779 1.635 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.479 1.610 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.907 1.285 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.990 0.253 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.026 2.343 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.850 2.204 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.800 3.204 8.846 1.00 0.00 H new ATOM 263 N VAL A 21 7.739 1.536 5.277 1.00 0.00 N ATOM 264 CA VAL A 21 7.313 2.695 4.519 1.00 0.00 C ATOM 265 C VAL A 21 7.636 3.964 5.294 1.00 0.00 C ATOM 266 O VAL A 21 7.008 4.250 6.311 1.00 0.00 O ATOM 267 CB VAL A 21 5.816 2.597 4.241 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.559 2.812 2.752 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.312 1.215 4.649 1.00 0.00 C ATOM 0 H VAL A 21 7.616 1.626 6.286 1.00 0.00 H new ATOM 0 HA VAL A 21 7.844 2.729 3.568 1.00 0.00 H new ATOM 0 HB VAL A 21 5.290 3.360 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.490 2.742 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.918 3.799 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.085 2.049 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.243 1.145 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.838 0.452 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.495 1.060 5.712 1.00 0.00 H new ATOM 279 N ALA A 22 8.619 4.727 4.810 1.00 0.00 N ATOM 280 CA ALA A 22 9.020 5.959 5.458 1.00 0.00 C ATOM 281 C ALA A 22 8.887 7.121 4.484 1.00 0.00 C ATOM 282 O ALA A 22 9.566 7.155 3.460 1.00 0.00 O ATOM 283 CB ALA A 22 10.458 5.829 5.952 1.00 0.00 C ATOM 0 H ALA A 22 9.149 4.504 3.967 1.00 0.00 H new ATOM 0 HA ALA A 22 8.372 6.152 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.760 6.756 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.525 5.006 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.117 5.632 5.106 1.00 0.00 H new ATOM 289 N GLY A 23 8.010 8.075 4.804 1.00 0.00 N ATOM 290 CA GLY A 23 7.797 9.229 3.954 1.00 0.00 C ATOM 291 C GLY A 23 8.845 10.296 4.240 1.00 0.00 C ATOM 292 O GLY A 23 9.263 10.468 5.383 1.00 0.00 O ATOM 0 H GLY A 23 7.439 8.063 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.847 8.932 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.800 9.635 4.123 1.00 0.00 H new ATOM 296 N ALA A 24 9.268 11.014 3.197 1.00 0.00 N ATOM 297 CA ALA A 24 10.263 12.058 3.341 1.00 0.00 C ATOM 298 C ALA A 24 9.931 13.217 2.412 1.00 0.00 C ATOM 299 O ALA A 24 10.055 13.096 1.196 1.00 0.00 O ATOM 300 CB ALA A 24 11.643 11.490 3.024 1.00 0.00 C ATOM 0 H ALA A 24 8.930 10.884 2.243 1.00 0.00 H new ATOM 0 HA ALA A 24 10.263 12.428 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.393 12.274 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.868 10.675 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.656 11.114 2.001 1.00 0.00 H new ATOM 306 N GLY A 25 9.507 14.345 2.989 1.00 0.00 N ATOM 307 CA GLY A 25 9.161 15.515 2.207 1.00 0.00 C ATOM 308 C GLY A 25 7.650 15.616 2.050 1.00 0.00 C ATOM 309 O GLY A 25 7.160 16.323 1.172 1.00 0.00 O ATOM 0 H GLY A 25 9.398 14.464 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.544 16.412 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.633 15.458 1.226 1.00 0.00 H new ATOM 313 N LEU A 26 6.911 14.905 2.904 1.00 0.00 N ATOM 314 CA LEU A 26 5.462 14.917 2.857 1.00 0.00 C ATOM 315 C LEU A 26 4.925 16.030 3.746 1.00 0.00 C ATOM 316 O LEU A 26 5.690 16.698 4.438 1.00 0.00 O ATOM 317 CB LEU A 26 4.928 13.560 3.307 1.00 0.00 C ATOM 318 CG LEU A 26 6.075 12.557 3.368 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.798 12.691 4.706 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.522 11.141 3.228 1.00 0.00 C ATOM 0 H LEU A 26 7.302 14.313 3.637 1.00 0.00 H new ATOM 0 HA LEU A 26 5.129 15.103 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.456 13.649 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.162 13.211 2.615 1.00 0.00 H new ATOM 0 HG LEU A 26 6.774 12.756 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.618 11.974 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.194 13.702 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.099 12.493 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.342 10.424 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.822 10.942 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.006 11.045 2.273 1.00 0.00 H new ATOM 332 N GLN A 27 3.605 16.227 3.725 1.00 0.00 N ATOM 333 CA GLN A 27 2.975 17.257 4.527 1.00 0.00 C ATOM 334 C GLN A 27 3.289 17.030 5.999 1.00 0.00 C ATOM 335 O GLN A 27 2.974 15.977 6.549 1.00 0.00 O ATOM 336 CB GLN A 27 1.468 17.235 4.287 1.00 0.00 C ATOM 337 CG GLN A 27 1.167 17.770 2.890 1.00 0.00 C ATOM 338 CD GLN A 27 -0.324 17.703 2.592 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.009 18.723 2.606 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.827 16.495 2.323 1.00 0.00 N ATOM 0 H GLN A 27 2.957 15.681 3.157 1.00 0.00 H new ATOM 0 HA GLN A 27 3.363 18.235 4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.088 16.219 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.961 17.841 5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.512 18.801 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.717 17.191 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.217 15.677 2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.821 16.391 2.117 1.00 0.00 H new ATOM 349 N ALA A 28 3.913 18.023 6.637 1.00 0.00 N ATOM 350 CA ALA A 28 4.266 17.928 8.039 1.00 0.00 C ATOM 351 C ALA A 28 3.014 18.043 8.896 1.00 0.00 C ATOM 352 O ALA A 28 2.226 18.970 8.725 1.00 0.00 O ATOM 353 CB ALA A 28 5.263 19.030 8.388 1.00 0.00 C ATOM 0 H ALA A 28 4.181 18.902 6.195 1.00 0.00 H new ATOM 0 HA ALA A 28 4.729 16.961 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.529 18.959 9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.160 18.916 7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.813 20.003 8.192 1.00 0.00 H new ATOM 359 N GLY A 29 2.830 17.098 9.821 1.00 0.00 N ATOM 360 CA GLY A 29 1.674 17.102 10.695 1.00 0.00 C ATOM 361 C GLY A 29 0.453 16.572 9.957 1.00 0.00 C ATOM 362 O GLY A 29 -0.661 16.632 10.472 1.00 0.00 O ATOM 0 H GLY A 29 3.473 16.322 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.872 16.488 11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.482 18.114 11.050 1.00 0.00 H new ATOM 366 N THR A 30 0.665 16.050 8.747 1.00 0.00 N ATOM 367 CA THR A 30 -0.419 15.513 7.949 1.00 0.00 C ATOM 368 C THR A 30 -0.532 14.012 8.171 1.00 0.00 C ATOM 369 O THR A 30 0.476 13.327 8.329 1.00 0.00 O ATOM 370 CB THR A 30 -0.169 15.824 6.476 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.173 16.693 6.002 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.195 14.529 5.671 1.00 0.00 C ATOM 0 H THR A 30 1.582 15.992 8.305 1.00 0.00 H new ATOM 0 HA THR A 30 -1.359 15.976 8.250 1.00 0.00 H new ATOM 0 HB THR A 30 0.805 16.300 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.107 16.768 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.016 14.751 4.619 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.582 13.857 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.169 14.052 5.781 1.00 0.00 H new ATOM 380 N ALA A 31 -1.766 13.501 8.182 1.00 0.00 N ATOM 381 CA ALA A 31 -2.005 12.086 8.385 1.00 0.00 C ATOM 382 C ALA A 31 -1.948 11.357 7.050 1.00 0.00 C ATOM 383 O ALA A 31 -2.246 11.939 6.009 1.00 0.00 O ATOM 384 CB ALA A 31 -3.365 11.891 9.050 1.00 0.00 C ATOM 0 H ALA A 31 -2.612 14.056 8.051 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.234 11.672 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.546 10.827 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.376 12.403 10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.145 12.303 8.410 1.00 0.00 H new ATOM 390 N TYR A 32 -1.564 10.079 7.081 1.00 0.00 N ATOM 391 CA TYR A 32 -1.469 9.281 5.875 1.00 0.00 C ATOM 392 C TYR A 32 -2.010 7.883 6.137 1.00 0.00 C ATOM 393 O TYR A 32 -1.760 7.306 7.193 1.00 0.00 O ATOM 394 CB TYR A 32 -0.014 9.221 5.420 1.00 0.00 C ATOM 395 CG TYR A 32 0.470 10.499 4.776 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.144 10.970 3.609 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.531 11.212 5.346 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.303 12.154 3.012 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.979 12.396 4.749 1.00 0.00 C ATOM 400 CZ TYR A 32 1.365 12.868 3.582 1.00 0.00 C ATOM 401 OH TYR A 32 1.801 14.022 3.000 1.00 0.00 O ATOM 0 H TYR A 32 -1.315 9.581 7.935 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.065 9.737 5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.618 8.995 6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.103 8.400 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.963 10.419 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.004 10.849 6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.171 12.517 2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.798 12.946 5.188 1.00 0.00 H new ATOM 0 HH TYR A 32 1.268 14.206 2.198 1.00 0.00 H new ATOM 411 N ASP A 33 -2.754 7.338 5.171 1.00 0.00 N ATOM 412 CA ASP A 33 -3.326 6.014 5.303 1.00 0.00 C ATOM 413 C ASP A 33 -2.552 5.030 4.438 1.00 0.00 C ATOM 414 O ASP A 33 -2.574 5.127 3.213 1.00 0.00 O ATOM 415 CB ASP A 33 -4.796 6.053 4.894 1.00 0.00 C ATOM 416 CG ASP A 33 -5.684 6.368 6.089 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.350 5.880 7.190 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.682 7.092 5.879 1.00 0.00 O ATOM 0 H ASP A 33 -2.970 7.803 4.289 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.259 5.686 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.942 6.805 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.084 5.093 4.465 1.00 0.00 H new ATOM 423 N VAL A 34 -1.865 4.081 5.078 1.00 0.00 N ATOM 424 CA VAL A 34 -1.088 3.087 4.366 1.00 0.00 C ATOM 425 C VAL A 34 -1.850 1.770 4.325 1.00 0.00 C ATOM 426 O VAL A 34 -2.587 1.448 5.254 1.00 0.00 O ATOM 427 CB VAL A 34 0.263 2.909 5.054 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.361 2.800 4.000 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.538 4.111 5.952 1.00 0.00 C ATOM 0 H VAL A 34 -1.837 3.987 6.093 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.918 3.418 3.342 1.00 0.00 H new ATOM 0 HB VAL A 34 0.247 2.001 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.326 2.673 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.165 1.941 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.378 3.708 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.503 3.985 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.554 5.019 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.246 4.189 6.705 1.00 0.00 H new ATOM 439 N GLY A 35 -1.672 1.007 3.244 1.00 0.00 N ATOM 440 CA GLY A 35 -2.345 -0.268 3.093 1.00 0.00 C ATOM 441 C GLY A 35 -1.841 -0.986 1.849 1.00 0.00 C ATOM 442 O GLY A 35 -1.182 -0.383 1.005 1.00 0.00 O ATOM 0 H GLY A 35 -1.065 1.258 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.170 -0.886 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.421 -0.113 3.021 1.00 0.00 H new ATOM 446 N GLN A 36 -2.154 -2.279 1.737 1.00 0.00 N ATOM 447 CA GLN A 36 -1.732 -3.071 0.600 1.00 0.00 C ATOM 448 C GLN A 36 -2.929 -3.379 -0.288 1.00 0.00 C ATOM 449 O GLN A 36 -3.917 -3.947 0.173 1.00 0.00 O ATOM 450 CB GLN A 36 -1.080 -4.360 1.094 1.00 0.00 C ATOM 451 CG GLN A 36 -1.417 -5.500 0.138 1.00 0.00 C ATOM 452 CD GLN A 36 -0.987 -6.840 0.719 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.745 -7.473 1.451 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.233 -7.271 0.391 1.00 0.00 N ATOM 0 H GLN A 36 -2.701 -2.793 2.428 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.004 -2.512 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.001 -4.232 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.433 -4.597 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.489 -5.511 -0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.920 -5.337 -0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.825 -6.709 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.573 -8.162 0.752 1.00 0.00 H new ATOM 463 N CYS A 37 -2.839 -3.003 -1.566 1.00 0.00 N ATOM 464 CA CYS A 37 -3.912 -3.241 -2.511 1.00 0.00 C ATOM 465 C CYS A 37 -3.426 -4.163 -3.620 1.00 0.00 C ATOM 466 O CYS A 37 -2.273 -4.082 -4.037 1.00 0.00 O ATOM 467 CB CYS A 37 -4.387 -1.909 -3.085 1.00 0.00 C ATOM 468 SG CYS A 37 -5.093 -0.787 -1.852 1.00 0.00 S ATOM 0 H CYS A 37 -2.027 -2.531 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.748 -3.723 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.547 -1.415 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.134 -2.102 -3.855 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.123 -1.349 -1.293 1.00 0.00 H new ATOM 473 N ALA A 38 -4.309 -5.043 -4.097 1.00 0.00 N ATOM 474 CA ALA A 38 -3.967 -5.976 -5.152 1.00 0.00 C ATOM 475 C ALA A 38 -4.937 -5.819 -6.314 1.00 0.00 C ATOM 476 O ALA A 38 -6.140 -5.680 -6.105 1.00 0.00 O ATOM 477 CB ALA A 38 -4.004 -7.399 -4.603 1.00 0.00 C ATOM 0 H ALA A 38 -5.269 -5.122 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.961 -5.768 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.747 -8.102 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.287 -7.493 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.005 -7.620 -4.233 1.00 0.00 H new ATOM 483 N TRP A 39 -4.412 -5.842 -7.541 1.00 0.00 N ATOM 484 CA TRP A 39 -5.237 -5.704 -8.724 1.00 0.00 C ATOM 485 C TRP A 39 -6.169 -6.901 -8.850 1.00 0.00 C ATOM 486 O TRP A 39 -5.722 -8.045 -8.804 1.00 0.00 O ATOM 487 CB TRP A 39 -4.344 -5.582 -9.955 1.00 0.00 C ATOM 488 CG TRP A 39 -4.931 -6.131 -11.216 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.237 -6.081 -11.554 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.259 -6.813 -12.318 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.420 -6.682 -12.782 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.230 -7.153 -13.299 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.929 -7.181 -12.590 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.901 -7.819 -14.483 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.589 -7.850 -13.774 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.569 -8.170 -14.721 1.00 0.00 C ATOM 0 H TRP A 39 -3.417 -5.956 -7.732 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.846 -4.804 -8.642 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.106 -4.530 -10.110 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.403 -6.095 -9.756 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.019 -5.638 -10.955 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.322 -6.768 -13.250 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.156 -6.944 -11.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.667 -8.060 -15.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.560 -8.121 -13.958 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.297 -8.685 -15.631 1.00 0.00 H new ATOM 507 N VAL A 40 -7.467 -6.634 -9.008 1.00 0.00 N ATOM 508 CA VAL A 40 -8.454 -7.687 -9.139 1.00 0.00 C ATOM 509 C VAL A 40 -8.947 -7.755 -10.577 1.00 0.00 C ATOM 510 O VAL A 40 -8.885 -8.808 -11.207 1.00 0.00 O ATOM 511 CB VAL A 40 -9.612 -7.420 -8.182 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.931 -7.503 -8.943 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.601 -8.462 -7.067 1.00 0.00 C ATOM 0 H VAL A 40 -7.852 -5.690 -9.047 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.004 -8.647 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.504 -6.425 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.758 -7.312 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.939 -6.759 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.040 -8.498 -9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.428 -8.272 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.708 -9.457 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.659 -8.402 -6.522 1.00 0.00 H new ATOM 523 N ASP A 41 -9.437 -6.626 -11.095 1.00 0.00 N ATOM 524 CA ASP A 41 -9.938 -6.564 -12.454 1.00 0.00 C ATOM 525 C ASP A 41 -9.307 -5.385 -13.181 1.00 0.00 C ATOM 526 O ASP A 41 -8.684 -4.530 -12.557 1.00 0.00 O ATOM 527 CB ASP A 41 -11.458 -6.434 -12.429 1.00 0.00 C ATOM 528 CG ASP A 41 -12.106 -7.449 -13.361 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.106 -7.179 -14.581 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.588 -8.475 -12.834 1.00 0.00 O ATOM 0 H ASP A 41 -9.494 -5.744 -10.585 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.674 -7.478 -12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.823 -6.583 -11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.746 -5.426 -12.727 1.00 0.00 H new ATOM 535 N THR A 42 -9.468 -5.342 -14.506 1.00 0.00 N ATOM 536 CA THR A 42 -8.914 -4.268 -15.305 1.00 0.00 C ATOM 537 C THR A 42 -9.309 -2.923 -14.713 1.00 0.00 C ATOM 538 O THR A 42 -10.481 -2.552 -14.733 1.00 0.00 O ATOM 539 CB THR A 42 -9.414 -4.394 -16.741 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.270 -3.155 -17.399 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.886 -4.798 -16.734 1.00 0.00 C ATOM 0 H THR A 42 -9.980 -6.044 -15.040 1.00 0.00 H new ATOM 0 HA THR A 42 -7.826 -4.335 -15.304 1.00 0.00 H new ATOM 0 HB THR A 42 -8.831 -5.153 -17.263 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.590 -3.236 -18.322 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.243 -4.888 -17.760 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.998 -5.755 -16.225 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.469 -4.039 -16.212 1.00 0.00 H new ATOM 549 N GLY A 43 -8.327 -2.190 -14.183 1.00 0.00 N ATOM 550 CA GLY A 43 -8.580 -0.893 -13.590 1.00 0.00 C ATOM 551 C GLY A 43 -9.316 -1.052 -12.267 1.00 0.00 C ATOM 552 O GLY A 43 -9.757 -0.069 -11.676 1.00 0.00 O ATOM 0 H GLY A 43 -7.350 -2.481 -14.157 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.638 -0.369 -13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.172 -0.283 -14.272 1.00 0.00 H new ATOM 556 N VAL A 44 -9.449 -2.297 -11.803 1.00 0.00 N ATOM 557 CA VAL A 44 -10.129 -2.580 -10.556 1.00 0.00 C ATOM 558 C VAL A 44 -9.193 -3.327 -9.617 1.00 0.00 C ATOM 559 O VAL A 44 -8.826 -4.469 -9.882 1.00 0.00 O ATOM 560 CB VAL A 44 -11.383 -3.403 -10.837 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.251 -3.453 -9.582 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.170 -2.759 -11.974 1.00 0.00 C ATOM 0 H VAL A 44 -9.090 -3.123 -12.282 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.423 -1.646 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.097 -4.416 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.147 -4.041 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.689 -3.913 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.538 -2.441 -9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.066 -3.347 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.456 -1.746 -11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.551 -2.723 -12.870 1.00 0.00 H new ATOM 572 N LEU A 45 -8.806 -2.678 -8.516 1.00 0.00 N ATOM 573 CA LEU A 45 -7.916 -3.281 -7.544 1.00 0.00 C ATOM 574 C LEU A 45 -8.587 -3.312 -6.178 1.00 0.00 C ATOM 575 O LEU A 45 -9.136 -2.308 -5.731 1.00 0.00 O ATOM 576 CB LEU A 45 -6.613 -2.490 -7.488 1.00 0.00 C ATOM 577 CG LEU A 45 -6.687 -1.468 -6.358 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.277 -1.140 -5.875 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.360 -0.196 -6.865 1.00 0.00 C ATOM 0 H LEU A 45 -9.102 -1.730 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.691 -4.306 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.772 -3.165 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.440 -1.985 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.267 -1.881 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.330 -0.410 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.796 -2.048 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.697 -0.727 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.413 0.534 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.781 0.217 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.367 -0.430 -7.209 1.00 0.00 H new ATOM 591 N ALA A 46 -8.542 -4.470 -5.515 1.00 0.00 N ATOM 592 CA ALA A 46 -9.145 -4.626 -4.207 1.00 0.00 C ATOM 593 C ALA A 46 -8.134 -4.265 -3.128 1.00 0.00 C ATOM 594 O ALA A 46 -6.929 -4.373 -3.342 1.00 0.00 O ATOM 595 CB ALA A 46 -9.626 -6.065 -4.038 1.00 0.00 C ATOM 0 H ALA A 46 -8.090 -5.312 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.001 -3.958 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.080 -6.184 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.363 -6.295 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.779 -6.745 -4.131 1.00 0.00 H new ATOM 601 N CYS A 47 -8.629 -3.835 -1.964 1.00 0.00 N ATOM 602 CA CYS A 47 -7.770 -3.461 -0.859 1.00 0.00 C ATOM 603 C CYS A 47 -7.906 -4.476 0.266 1.00 0.00 C ATOM 604 O CYS A 47 -8.917 -5.169 0.360 1.00 0.00 O ATOM 605 CB CYS A 47 -8.145 -2.063 -0.375 1.00 0.00 C ATOM 606 SG CYS A 47 -7.417 -0.725 -1.353 1.00 0.00 S ATOM 0 H CYS A 47 -9.626 -3.740 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.731 -3.451 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.230 -1.963 -0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.831 -1.953 0.663 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.246 -0.425 -0.874 1.00 0.00 H new ATOM 611 N ASN A 48 -6.885 -4.564 1.121 1.00 0.00 N ATOM 612 CA ASN A 48 -6.899 -5.493 2.233 1.00 0.00 C ATOM 613 C ASN A 48 -6.908 -4.728 3.549 1.00 0.00 C ATOM 614 O ASN A 48 -5.892 -4.163 3.949 1.00 0.00 O ATOM 615 CB ASN A 48 -5.678 -6.405 2.147 1.00 0.00 C ATOM 616 CG ASN A 48 -5.626 -7.357 3.333 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.612 -7.513 4.050 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.472 -7.995 3.539 1.00 0.00 N ATOM 0 H ASN A 48 -6.039 -3.998 1.057 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.800 -6.105 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.710 -6.976 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.770 -5.802 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.381 -8.645 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.681 -7.832 2.916 1.00 0.00 H new ATOM 625 N PRO A 49 -8.060 -4.712 4.222 1.00 0.00 N ATOM 626 CA PRO A 49 -8.256 -4.039 5.489 1.00 0.00 C ATOM 627 C PRO A 49 -7.541 -4.807 6.591 1.00 0.00 C ATOM 628 O PRO A 49 -7.578 -4.409 7.753 1.00 0.00 O ATOM 629 CB PRO A 49 -9.767 -4.047 5.707 1.00 0.00 C ATOM 630 CG PRO A 49 -10.206 -5.323 4.990 1.00 0.00 C ATOM 631 CD PRO A 49 -9.274 -5.365 3.781 1.00 0.00 C ATOM 0 HA PRO A 49 -7.856 -3.025 5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.023 -4.070 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.241 -3.162 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.090 -6.203 5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.254 -5.281 4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.079 -6.391 3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.712 -4.849 2.927 1.00 0.00 H new ATOM 639 N ALA A 50 -6.890 -5.914 6.223 1.00 0.00 N ATOM 640 CA ALA A 50 -6.174 -6.733 7.180 1.00 0.00 C ATOM 641 C ALA A 50 -4.740 -6.239 7.310 1.00 0.00 C ATOM 642 O ALA A 50 -4.020 -6.650 8.217 1.00 0.00 O ATOM 643 CB ALA A 50 -6.205 -8.189 6.726 1.00 0.00 C ATOM 0 H ALA A 50 -6.850 -6.257 5.263 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.652 -6.661 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.667 -8.806 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.239 -8.528 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.732 -8.275 5.748 1.00 0.00 H new ATOM 649 N ASP A 51 -4.326 -5.354 6.400 1.00 0.00 N ATOM 650 CA ASP A 51 -2.983 -4.811 6.417 1.00 0.00 C ATOM 651 C ASP A 51 -3.039 -3.294 6.315 1.00 0.00 C ATOM 652 O ASP A 51 -2.103 -2.668 5.823 1.00 0.00 O ATOM 653 CB ASP A 51 -2.182 -5.402 5.260 1.00 0.00 C ATOM 654 CG ASP A 51 -2.901 -5.188 3.936 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.544 -4.124 3.805 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.794 -6.092 3.079 1.00 0.00 O ATOM 0 H ASP A 51 -4.911 -5.002 5.642 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.492 -5.074 7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.196 -4.939 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.028 -6.468 5.426 1.00 0.00 H new ATOM 661 N PHE A 52 -4.142 -2.702 6.781 1.00 0.00 N ATOM 662 CA PHE A 52 -4.311 -1.264 6.739 1.00 0.00 C ATOM 663 C PHE A 52 -3.619 -0.627 7.936 1.00 0.00 C ATOM 664 O PHE A 52 -4.103 -0.727 9.061 1.00 0.00 O ATOM 665 CB PHE A 52 -5.800 -0.929 6.733 1.00 0.00 C ATOM 666 CG PHE A 52 -6.287 -0.367 5.419 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.404 0.333 4.587 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.620 -0.544 5.032 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.855 0.856 3.369 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.071 -0.021 3.814 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.189 0.679 2.983 1.00 0.00 C ATOM 0 H PHE A 52 -4.928 -3.206 7.191 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.858 -0.867 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.368 -1.830 6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.005 -0.209 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.375 0.469 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.301 -1.084 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.174 1.396 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.100 -0.158 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.537 1.083 2.044 1.00 0.00 H new ATOM 681 N SER A 53 -2.483 0.030 7.690 1.00 0.00 N ATOM 682 CA SER A 53 -1.734 0.680 8.746 1.00 0.00 C ATOM 683 C SER A 53 -2.008 2.177 8.729 1.00 0.00 C ATOM 684 O SER A 53 -2.649 2.683 7.811 1.00 0.00 O ATOM 685 CB SER A 53 -0.245 0.401 8.558 1.00 0.00 C ATOM 686 OG SER A 53 0.460 0.819 9.705 1.00 0.00 O ATOM 0 H SER A 53 -2.068 0.121 6.763 1.00 0.00 H new ATOM 0 HA SER A 53 -2.046 0.286 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.082 -0.663 8.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.126 0.927 7.678 1.00 0.00 H new ATOM 0 HG SER A 53 1.416 0.638 9.585 1.00 0.00 H new ATOM 692 N SER A 54 -1.520 2.886 9.750 1.00 0.00 N ATOM 693 CA SER A 54 -1.714 4.319 9.845 1.00 0.00 C ATOM 694 C SER A 54 -0.504 4.961 10.511 1.00 0.00 C ATOM 695 O SER A 54 0.201 4.311 11.280 1.00 0.00 O ATOM 696 CB SER A 54 -2.985 4.608 10.638 1.00 0.00 C ATOM 697 OG SER A 54 -2.687 4.610 12.017 1.00 0.00 O ATOM 0 H SER A 54 -0.987 2.482 10.520 1.00 0.00 H new ATOM 0 HA SER A 54 -1.821 4.742 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.400 5.572 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.742 3.855 10.419 1.00 0.00 H new ATOM 0 HG SER A 54 -3.502 4.797 12.528 1.00 0.00 H new ATOM 703 N VAL A 55 -0.267 6.240 10.214 1.00 0.00 N ATOM 704 CA VAL A 55 0.852 6.963 10.784 1.00 0.00 C ATOM 705 C VAL A 55 0.684 8.455 10.532 1.00 0.00 C ATOM 706 O VAL A 55 -0.083 8.856 9.659 1.00 0.00 O ATOM 707 CB VAL A 55 2.152 6.454 10.168 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.044 6.494 8.646 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.310 7.340 10.619 1.00 0.00 C ATOM 0 H VAL A 55 -0.843 6.791 9.578 1.00 0.00 H new ATOM 0 HA VAL A 55 0.886 6.798 11.861 1.00 0.00 H new ATOM 0 HB VAL A 55 2.331 5.429 10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.972 6.130 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.217 5.861 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.865 7.519 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.239 6.977 10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.132 8.365 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.388 7.312 11.706 1.00 0.00 H new ATOM 719 N THR A 56 1.403 9.277 11.300 1.00 0.00 N ATOM 720 CA THR A 56 1.327 10.716 11.152 1.00 0.00 C ATOM 721 C THR A 56 2.726 11.297 10.999 1.00 0.00 C ATOM 722 O THR A 56 3.642 10.915 11.723 1.00 0.00 O ATOM 723 CB THR A 56 0.624 11.315 12.367 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.576 10.615 12.608 1.00 0.00 O ATOM 725 CG2 THR A 56 0.312 12.785 12.102 1.00 0.00 C ATOM 0 H THR A 56 2.043 8.961 12.029 1.00 0.00 H new ATOM 0 HA THR A 56 0.754 10.962 10.258 1.00 0.00 H new ATOM 0 HB THR A 56 1.273 11.234 13.239 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.027 10.998 13.389 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.190 13.213 12.970 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.240 13.326 11.916 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.337 12.868 11.230 1.00 0.00 H new ATOM 733 N ALA A 57 2.887 12.223 10.051 1.00 0.00 N ATOM 734 CA ALA A 57 4.170 12.850 9.806 1.00 0.00 C ATOM 735 C ALA A 57 4.450 13.889 10.882 1.00 0.00 C ATOM 736 O ALA A 57 3.572 14.675 11.231 1.00 0.00 O ATOM 737 CB ALA A 57 4.165 13.492 8.421 1.00 0.00 C ATOM 0 H ALA A 57 2.136 12.550 9.443 1.00 0.00 H new ATOM 0 HA ALA A 57 4.959 12.099 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.130 13.964 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.984 12.727 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.378 14.244 8.371 1.00 0.00 H new ATOM 743 N ASP A 58 5.677 13.892 11.407 1.00 0.00 N ATOM 744 CA ASP A 58 6.064 14.832 12.440 1.00 0.00 C ATOM 745 C ASP A 58 6.299 16.204 11.825 1.00 0.00 C ATOM 746 O ASP A 58 6.072 16.399 10.633 1.00 0.00 O ATOM 747 CB ASP A 58 7.325 14.329 13.138 1.00 0.00 C ATOM 748 CG ASP A 58 8.450 14.109 12.137 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.363 14.710 11.044 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.376 13.345 12.483 1.00 0.00 O ATOM 0 H ASP A 58 6.417 13.248 11.127 1.00 0.00 H new ATOM 0 HA ASP A 58 5.266 14.918 13.178 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.640 15.050 13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.109 13.396 13.659 1.00 0.00 H new ATOM 755 N ALA A 59 6.756 17.156 12.642 1.00 0.00 N ATOM 756 CA ALA A 59 7.018 18.503 12.175 1.00 0.00 C ATOM 757 C ALA A 59 8.095 18.476 11.100 1.00 0.00 C ATOM 758 O ALA A 59 8.221 19.418 10.321 1.00 0.00 O ATOM 759 CB ALA A 59 7.450 19.373 13.352 1.00 0.00 C ATOM 0 H ALA A 59 6.950 17.010 13.633 1.00 0.00 H new ATOM 0 HA ALA A 59 6.111 18.925 11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.647 20.386 13.002 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.656 19.395 14.099 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.355 18.960 13.797 1.00 0.00 H new ATOM 765 N ASN A 60 8.873 17.392 11.059 1.00 0.00 N ATOM 766 CA ASN A 60 9.933 17.250 10.081 1.00 0.00 C ATOM 767 C ASN A 60 9.362 16.729 8.770 1.00 0.00 C ATOM 768 O ASN A 60 10.109 16.419 7.844 1.00 0.00 O ATOM 769 CB ASN A 60 10.998 16.301 10.622 1.00 0.00 C ATOM 770 CG ASN A 60 12.388 16.733 10.175 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.938 17.699 10.699 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.956 16.013 9.205 1.00 0.00 N ATOM 0 H ASN A 60 8.781 16.602 11.698 1.00 0.00 H new ATOM 0 HA ASN A 60 10.391 18.221 9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.952 16.279 11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.798 15.287 10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.887 16.257 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.459 15.219 8.801 1.00 0.00 H new ATOM 779 N GLY A 61 8.033 16.633 8.691 1.00 0.00 N ATOM 780 CA GLY A 61 7.374 16.151 7.494 1.00 0.00 C ATOM 781 C GLY A 61 7.865 14.752 7.149 1.00 0.00 C ATOM 782 O GLY A 61 7.935 14.387 5.977 1.00 0.00 O ATOM 0 H GLY A 61 7.398 16.885 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.295 16.138 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.572 16.829 6.663 1.00 0.00 H new ATOM 786 N SER A 62 8.206 13.968 8.174 1.00 0.00 N ATOM 787 CA SER A 62 8.687 12.616 7.975 1.00 0.00 C ATOM 788 C SER A 62 7.932 11.659 8.887 1.00 0.00 C ATOM 789 O SER A 62 7.746 11.941 10.069 1.00 0.00 O ATOM 790 CB SER A 62 10.186 12.563 8.258 1.00 0.00 C ATOM 791 OG SER A 62 10.711 11.346 7.778 1.00 0.00 O ATOM 0 H SER A 62 8.154 14.256 9.151 1.00 0.00 H new ATOM 0 HA SER A 62 8.514 12.314 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.688 13.403 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.368 12.653 9.329 1.00 0.00 H new ATOM 0 HG SER A 62 10.236 11.084 6.962 1.00 0.00 H new ATOM 797 N ALA A 63 7.497 10.524 8.334 1.00 0.00 N ATOM 798 CA ALA A 63 6.766 9.533 9.098 1.00 0.00 C ATOM 799 C ALA A 63 7.439 8.175 8.958 1.00 0.00 C ATOM 800 O ALA A 63 8.277 7.983 8.080 1.00 0.00 O ATOM 801 CB ALA A 63 5.323 9.475 8.605 1.00 0.00 C ATOM 0 H ALA A 63 7.644 10.276 7.356 1.00 0.00 H new ATOM 0 HA ALA A 63 6.765 9.809 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.772 8.730 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.855 10.451 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.310 9.203 7.550 1.00 0.00 H new ATOM 807 N SER A 64 7.070 7.232 9.827 1.00 0.00 N ATOM 808 CA SER A 64 7.639 5.899 9.795 1.00 0.00 C ATOM 809 C SER A 64 6.581 4.876 10.183 1.00 0.00 C ATOM 810 O SER A 64 5.905 5.033 11.197 1.00 0.00 O ATOM 811 CB SER A 64 8.830 5.832 10.745 1.00 0.00 C ATOM 812 OG SER A 64 9.275 7.139 11.034 1.00 0.00 O ATOM 0 H SER A 64 6.377 7.375 10.561 1.00 0.00 H new ATOM 0 HA SER A 64 7.983 5.671 8.786 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.547 5.321 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.636 5.253 10.294 1.00 0.00 H new ATOM 0 HG SER A 64 10.039 7.097 11.646 1.00 0.00 H new ATOM 818 N THR A 65 6.438 3.825 9.373 1.00 0.00 N ATOM 819 CA THR A 65 5.465 2.784 9.640 1.00 0.00 C ATOM 820 C THR A 65 5.956 1.458 9.077 1.00 0.00 C ATOM 821 O THR A 65 6.938 1.419 8.339 1.00 0.00 O ATOM 822 CB THR A 65 4.125 3.172 9.021 1.00 0.00 C ATOM 823 OG1 THR A 65 3.139 3.221 10.028 1.00 0.00 O ATOM 824 CG2 THR A 65 3.731 2.135 7.973 1.00 0.00 C ATOM 0 H THR A 65 6.989 3.679 8.527 1.00 0.00 H new ATOM 0 HA THR A 65 5.335 2.671 10.716 1.00 0.00 H new ATOM 0 HB THR A 65 4.211 4.151 8.550 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.255 3.313 9.616 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.774 2.411 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.493 2.096 7.195 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.644 1.156 8.445 1.00 0.00 H new ATOM 832 N SER A 66 5.268 0.369 9.428 1.00 0.00 N ATOM 833 CA SER A 66 5.636 -0.951 8.956 1.00 0.00 C ATOM 834 C SER A 66 4.419 -1.644 8.360 1.00 0.00 C ATOM 835 O SER A 66 3.440 -1.894 9.060 1.00 0.00 O ATOM 836 CB SER A 66 6.208 -1.763 10.115 1.00 0.00 C ATOM 837 OG SER A 66 6.526 -0.899 11.183 1.00 0.00 O ATOM 0 H SER A 66 4.452 0.385 10.040 1.00 0.00 H new ATOM 0 HA SER A 66 6.396 -0.865 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.485 -2.511 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.099 -2.301 9.791 1.00 0.00 H new ATOM 0 HG SER A 66 6.892 -1.420 11.928 1.00 0.00 H new ATOM 843 N LEU A 67 4.482 -1.955 7.064 1.00 0.00 N ATOM 844 CA LEU A 67 3.389 -2.617 6.381 1.00 0.00 C ATOM 845 C LEU A 67 3.655 -4.114 6.312 1.00 0.00 C ATOM 846 O LEU A 67 4.800 -4.549 6.411 1.00 0.00 O ATOM 847 CB LEU A 67 3.234 -2.030 4.981 1.00 0.00 C ATOM 848 CG LEU A 67 1.777 -2.141 4.542 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.345 -0.836 3.879 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.631 -3.290 3.548 1.00 0.00 C ATOM 0 H LEU A 67 5.287 -1.754 6.471 1.00 0.00 H new ATOM 0 HA LEU A 67 2.462 -2.458 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.548 -0.986 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.878 -2.560 4.279 1.00 0.00 H new ATOM 0 HG LEU A 67 1.149 -2.332 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.304 -0.915 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.449 -0.015 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.973 -0.645 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.590 -3.370 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.259 -3.100 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.939 -4.222 4.021 1.00 0.00 H new ATOM 862 N THR A 68 2.592 -4.904 6.140 1.00 0.00 N ATOM 863 CA THR A 68 2.720 -6.345 6.058 1.00 0.00 C ATOM 864 C THR A 68 2.226 -6.833 4.704 1.00 0.00 C ATOM 865 O THR A 68 1.192 -6.380 4.217 1.00 0.00 O ATOM 866 CB THR A 68 1.924 -6.990 7.189 1.00 0.00 C ATOM 867 OG1 THR A 68 1.358 -8.199 6.734 1.00 0.00 O ATOM 868 CG2 THR A 68 0.813 -6.044 7.634 1.00 0.00 C ATOM 0 H THR A 68 1.635 -4.561 6.056 1.00 0.00 H new ATOM 0 HA THR A 68 3.768 -6.627 6.161 1.00 0.00 H new ATOM 0 HB THR A 68 2.587 -7.192 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.067 -8.862 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.245 -6.505 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.250 -5.109 7.985 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.150 -5.841 6.793 1.00 0.00 H new ATOM 876 N VAL A 69 2.968 -7.762 4.096 1.00 0.00 N ATOM 877 CA VAL A 69 2.604 -8.307 2.804 1.00 0.00 C ATOM 878 C VAL A 69 2.003 -9.694 2.982 1.00 0.00 C ATOM 879 O VAL A 69 2.609 -10.560 3.608 1.00 0.00 O ATOM 880 CB VAL A 69 3.839 -8.363 1.910 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.058 -7.891 2.696 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.062 -9.798 1.441 1.00 0.00 C ATOM 0 H VAL A 69 3.827 -8.148 4.487 1.00 0.00 H new ATOM 0 HA VAL A 69 1.859 -7.667 2.331 1.00 0.00 H new ATOM 0 HB VAL A 69 3.691 -7.716 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.940 -7.931 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.900 -6.866 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.206 -8.538 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.944 -9.839 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.210 -10.445 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.191 -10.137 0.879 1.00 0.00 H new ATOM 892 N ARG A 70 0.806 -9.903 2.428 1.00 0.00 N ATOM 893 CA ARG A 70 0.129 -11.180 2.528 1.00 0.00 C ATOM 894 C ARG A 70 0.028 -11.820 1.151 1.00 0.00 C ATOM 895 O ARG A 70 -0.179 -11.127 0.157 1.00 0.00 O ATOM 896 CB ARG A 70 -1.257 -10.974 3.132 1.00 0.00 C ATOM 897 CG ARG A 70 -1.189 -11.177 4.643 1.00 0.00 C ATOM 898 CD ARG A 70 0.108 -10.579 5.179 1.00 0.00 C ATOM 899 NE ARG A 70 -0.046 -10.150 6.569 1.00 0.00 N ATOM 900 CZ ARG A 70 0.140 -10.975 7.608 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.484 -12.252 7.396 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.018 -10.522 8.860 1.00 0.00 N ATOM 0 H ARG A 70 0.291 -9.195 1.905 1.00 0.00 H new ATOM 0 HA ARG A 70 0.697 -11.848 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.619 -9.971 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.965 -11.676 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.046 -10.704 5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.237 -12.240 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.908 -11.316 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.402 -9.729 4.563 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.306 -9.181 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.604 -12.596 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.626 -12.880 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.280 -9.549 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.124 -11.150 9.651 1.00 0.00 H new ATOM 916 N ARG A 71 0.175 -13.145 1.094 1.00 0.00 N ATOM 917 CA ARG A 71 0.100 -13.870 -0.158 1.00 0.00 C ATOM 918 C ARG A 71 -1.288 -13.713 -0.763 1.00 0.00 C ATOM 919 O ARG A 71 -1.432 -13.643 -1.982 1.00 0.00 O ATOM 920 CB ARG A 71 0.418 -15.342 0.087 1.00 0.00 C ATOM 921 CG ARG A 71 -0.621 -15.936 1.034 1.00 0.00 C ATOM 922 CD ARG A 71 -0.215 -17.360 1.406 1.00 0.00 C ATOM 923 NE ARG A 71 -0.758 -18.327 0.451 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.221 -19.539 0.262 1.00 0.00 C ATOM 925 NH1 ARG A 71 0.860 -19.910 0.962 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.763 -20.381 -0.629 1.00 0.00 N ATOM 0 H ARG A 71 0.347 -13.733 1.910 1.00 0.00 H new ATOM 0 HA ARG A 71 0.829 -13.466 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.419 -15.887 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.416 -15.443 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.703 -15.323 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.602 -15.938 0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.872 -17.438 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.573 -17.594 2.409 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.580 -18.067 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.274 -19.269 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.269 -20.833 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.585 -20.099 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.354 -21.304 -0.773 1.00 0.00 H new ATOM 940 N SER A 72 -2.311 -13.656 0.092 1.00 0.00 N ATOM 941 CA SER A 72 -3.679 -13.505 -0.362 1.00 0.00 C ATOM 942 C SER A 72 -4.518 -12.858 0.731 1.00 0.00 C ATOM 943 O SER A 72 -4.169 -12.925 1.907 1.00 0.00 O ATOM 944 CB SER A 72 -4.242 -14.873 -0.738 1.00 0.00 C ATOM 945 OG SER A 72 -4.399 -15.653 0.427 1.00 0.00 O ATOM 0 H SER A 72 -2.209 -13.713 1.105 1.00 0.00 H new ATOM 0 HA SER A 72 -3.706 -12.861 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.201 -14.757 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.572 -15.374 -1.437 1.00 0.00 H new ATOM 0 HG SER A 72 -4.762 -16.531 0.186 1.00 0.00 H new ATOM 951 N PHE A 73 -5.629 -12.230 0.339 1.00 0.00 N ATOM 952 CA PHE A 73 -6.510 -11.577 1.286 1.00 0.00 C ATOM 953 C PHE A 73 -7.722 -11.012 0.559 1.00 0.00 C ATOM 954 O PHE A 73 -7.660 -10.740 -0.638 1.00 0.00 O ATOM 955 CB PHE A 73 -5.747 -10.470 2.008 1.00 0.00 C ATOM 956 CG PHE A 73 -4.857 -9.658 1.098 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.422 -8.768 0.178 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.466 -9.798 1.172 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.597 -8.017 -0.668 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.641 -9.047 0.326 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.206 -8.157 -0.594 1.00 0.00 C ATOM 0 H PHE A 73 -5.933 -12.165 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.859 -12.300 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.461 -9.804 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.139 -10.914 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.495 -8.660 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.029 -10.485 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.034 -7.330 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.568 -9.155 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.569 -7.578 -1.247 1.00 0.00 H new ATOM 971 N GLU A 74 -8.828 -10.835 1.286 1.00 0.00 N ATOM 972 CA GLU A 74 -10.044 -10.303 0.706 1.00 0.00 C ATOM 973 C GLU A 74 -9.751 -8.985 0.003 1.00 0.00 C ATOM 974 O GLU A 74 -9.472 -7.980 0.653 1.00 0.00 O ATOM 975 CB GLU A 74 -11.088 -10.110 1.802 1.00 0.00 C ATOM 976 CG GLU A 74 -10.562 -9.118 2.836 1.00 0.00 C ATOM 977 CD GLU A 74 -10.773 -9.644 4.249 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.931 -9.571 4.714 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.773 -10.108 4.837 1.00 0.00 O ATOM 0 H GLU A 74 -8.897 -11.056 2.279 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.434 -11.005 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.020 -9.743 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.311 -11.064 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.501 -8.937 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.071 -8.161 2.720 1.00 0.00 H new ATOM 986 N GLY A 75 -9.816 -8.990 -1.331 1.00 0.00 N ATOM 987 CA GLY A 75 -9.558 -7.795 -2.110 1.00 0.00 C ATOM 988 C GLY A 75 -10.685 -6.789 -1.922 1.00 0.00 C ATOM 989 O GLY A 75 -11.759 -6.943 -2.499 1.00 0.00 O ATOM 0 H GLY A 75 -10.046 -9.814 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.610 -7.351 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.464 -8.053 -3.165 1.00 0.00 H new ATOM 993 N PHE A 76 -10.438 -5.757 -1.112 1.00 0.00 N ATOM 994 CA PHE A 76 -11.432 -4.735 -0.855 1.00 0.00 C ATOM 995 C PHE A 76 -11.409 -3.700 -1.971 1.00 0.00 C ATOM 996 O PHE A 76 -10.555 -2.816 -1.984 1.00 0.00 O ATOM 997 CB PHE A 76 -11.149 -4.081 0.495 1.00 0.00 C ATOM 998 CG PHE A 76 -12.186 -4.396 1.546 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.337 -5.708 2.010 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.995 -3.375 2.059 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.297 -5.999 2.986 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.955 -3.666 3.035 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.106 -4.978 3.499 1.00 0.00 C ATOM 0 H PHE A 76 -9.553 -5.615 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.424 -5.186 -0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.172 -4.408 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.095 -3.001 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.713 -6.496 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.878 -2.363 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.414 -7.011 3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.579 -2.878 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.846 -5.203 4.253 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.352 -3.811 -2.910 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.437 -2.888 -4.023 1.00 0.00 C ATOM 1015 C LEU A 77 -12.593 -1.465 -3.504 1.00 0.00 C ATOM 1016 O LEU A 77 -13.342 -1.226 -2.559 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.616 -3.270 -4.913 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.180 -2.017 -5.576 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.152 -1.451 -6.551 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.457 -2.373 -6.332 1.00 0.00 C ATOM 0 H LEU A 77 -13.067 -4.538 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.522 -2.941 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.296 -3.983 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.389 -3.760 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.405 -1.272 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.554 -0.556 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.240 -1.197 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.926 -2.195 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.861 -1.478 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.232 -3.118 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.191 -2.777 -5.635 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.883 -0.520 -4.124 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.947 0.870 -3.721 1.00 0.00 C ATOM 1034 C PHE A 78 -13.400 1.292 -3.551 1.00 0.00 C ATOM 1035 O PHE A 78 -13.733 2.016 -2.616 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.252 1.735 -4.768 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.834 2.102 -4.402 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.992 1.147 -3.819 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.361 3.397 -4.643 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.678 1.487 -3.477 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.047 3.738 -4.301 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.205 2.783 -3.718 1.00 0.00 C ATOM 0 H PHE A 78 -11.257 -0.702 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.438 0.999 -2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.247 1.205 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.829 2.648 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.357 0.148 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.010 4.134 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.029 0.750 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.683 4.738 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.191 3.046 -3.454 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.266 0.835 -4.459 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.675 1.167 -4.405 1.00 0.00 C ATOM 1054 C ASP A 79 -16.256 0.734 -3.066 1.00 0.00 C ATOM 1055 O ASP A 79 -17.331 1.186 -2.679 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.403 0.481 -5.558 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.240 1.480 -6.344 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.622 2.313 -7.042 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.482 1.392 -6.233 1.00 0.00 O ATOM 0 H ASP A 79 -14.006 0.232 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.803 2.245 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.678 0.007 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.044 -0.310 -5.169 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.542 -0.145 -2.359 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.994 -0.630 -1.070 1.00 0.00 C ATOM 1066 C GLY A 80 -16.727 -1.954 -1.233 1.00 0.00 C ATOM 1067 O GLY A 80 -17.607 -2.281 -0.440 1.00 0.00 O ATOM 0 H GLY A 80 -14.649 -0.531 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.142 -0.758 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.654 0.105 -0.608 1.00 0.00 H new ATOM 1071 N THR A 81 -16.361 -2.718 -2.265 1.00 0.00 N ATOM 1072 CA THR A 81 -16.986 -4.000 -2.523 1.00 0.00 C ATOM 1073 C THR A 81 -15.983 -5.121 -2.291 1.00 0.00 C ATOM 1074 O THR A 81 -14.787 -4.942 -2.508 1.00 0.00 O ATOM 1075 CB THR A 81 -17.510 -4.030 -3.955 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.682 -3.252 -4.043 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.825 -5.470 -4.352 1.00 0.00 C ATOM 0 H THR A 81 -15.633 -2.463 -2.932 1.00 0.00 H new ATOM 0 HA THR A 81 -17.824 -4.144 -1.840 1.00 0.00 H new ATOM 0 HB THR A 81 -16.753 -3.625 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.018 -3.270 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.200 -5.492 -5.375 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.919 -6.073 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.582 -5.875 -3.680 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.476 -6.281 -1.850 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.624 -7.424 -1.590 1.00 0.00 C ATOM 1087 C ARG A 82 -15.376 -8.186 -2.884 1.00 0.00 C ATOM 1088 O ARG A 82 -16.173 -9.042 -3.265 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.285 -8.324 -0.551 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.233 -9.233 0.078 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.750 -10.669 0.101 1.00 0.00 C ATOM 1092 NE ARG A 82 -15.112 -11.440 1.169 1.00 0.00 N ATOM 1093 CZ ARG A 82 -15.553 -11.429 2.434 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.622 -10.692 2.765 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -14.925 -12.156 3.369 1.00 0.00 N ATOM 0 H ARG A 82 -17.466 -6.445 -1.668 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.664 -7.086 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.764 -7.718 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.067 -8.923 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.304 -9.179 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.008 -8.900 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.831 -10.668 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.557 -11.144 -0.861 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.297 -12.010 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.100 -10.139 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.957 -10.684 3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.111 -12.717 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -15.261 -12.148 4.332 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.268 -7.876 -3.561 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.926 -8.536 -4.805 1.00 0.00 C ATOM 1111 C TRP A 83 -13.668 -10.014 -4.553 1.00 0.00 C ATOM 1112 O TRP A 83 -14.072 -10.861 -5.347 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.695 -7.868 -5.411 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.885 -7.335 -6.794 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -13.538 -6.195 -7.108 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.431 -7.896 -8.064 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -13.520 -6.013 -8.475 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.849 -7.036 -9.114 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.709 -9.044 -8.435 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.568 -7.298 -10.458 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.422 -9.317 -9.780 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.848 -8.449 -10.792 1.00 0.00 C ATOM 0 H TRP A 83 -13.596 -7.169 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.755 -8.448 -5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.387 -7.049 -4.761 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.878 -8.589 -5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -14.003 -5.528 -6.397 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -13.949 -5.221 -8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.370 -9.727 -7.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.903 -6.620 -11.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -10.866 -10.206 -10.038 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -11.622 -8.667 -11.825 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.995 -10.325 -3.443 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.690 -11.699 -3.097 1.00 0.00 C ATOM 1135 C GLY A 84 -11.219 -11.836 -2.729 1.00 0.00 C ATOM 1136 O GLY A 84 -10.436 -10.910 -2.932 1.00 0.00 O ATOM 0 H GLY A 84 -12.654 -9.636 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.312 -12.018 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.925 -12.353 -3.937 1.00 0.00 H new ATOM 1140 N THR A 85 -10.843 -12.997 -2.186 1.00 0.00 N ATOM 1141 CA THR A 85 -9.470 -13.245 -1.796 1.00 0.00 C ATOM 1142 C THR A 85 -8.558 -13.137 -3.009 1.00 0.00 C ATOM 1143 O THR A 85 -8.544 -14.023 -3.860 1.00 0.00 O ATOM 1144 CB THR A 85 -9.366 -14.630 -1.163 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.608 -14.984 -0.599 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.298 -14.612 -0.073 1.00 0.00 C ATOM 0 H THR A 85 -11.478 -13.775 -2.010 1.00 0.00 H new ATOM 0 HA THR A 85 -9.156 -12.499 -1.066 1.00 0.00 H new ATOM 0 HB THR A 85 -9.094 -15.359 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.542 -15.874 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.223 -15.601 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.337 -14.339 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.570 -13.883 0.691 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.795 -12.044 -3.086 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.885 -11.824 -4.192 1.00 0.00 C ATOM 1156 C VAL A 86 -5.559 -12.519 -3.914 1.00 0.00 C ATOM 1157 O VAL A 86 -5.199 -12.733 -2.759 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.678 -10.325 -4.389 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.999 -9.679 -4.798 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -6.191 -9.703 -3.084 1.00 0.00 C ATOM 0 H VAL A 86 -7.796 -11.300 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.308 -12.242 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.935 -10.160 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.852 -8.608 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.348 -10.123 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.742 -9.844 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.043 -8.632 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.934 -9.867 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.248 -10.164 -2.791 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.833 -12.870 -4.978 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.554 -13.539 -4.843 1.00 0.00 C ATOM 1172 C ASP A 87 -2.426 -12.544 -5.076 1.00 0.00 C ATOM 1173 O ASP A 87 -1.998 -12.343 -6.210 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.475 -14.690 -5.841 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.870 -16.006 -5.186 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.050 -16.111 -4.788 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -2.983 -16.883 -5.095 1.00 0.00 O ATOM 0 H ASP A 87 -5.118 -12.698 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.454 -13.943 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.132 -14.489 -6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.462 -14.765 -6.236 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.946 -11.920 -3.998 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.872 -10.951 -4.089 1.00 0.00 C ATOM 1184 C CYS A 88 0.320 -11.570 -4.804 1.00 0.00 C ATOM 1185 O CYS A 88 1.175 -10.855 -5.323 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.483 -10.490 -2.688 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.457 -8.691 -2.486 1.00 0.00 S ATOM 0 H CYS A 88 -2.292 -12.075 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.205 -10.085 -4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.183 -10.916 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.503 -10.887 -2.447 1.00 0.00 H new ATOM 1192 N THR A 89 0.377 -12.904 -4.831 1.00 0.00 N ATOM 1193 CA THR A 89 1.464 -13.606 -5.483 1.00 0.00 C ATOM 1194 C THR A 89 1.108 -13.877 -6.938 1.00 0.00 C ATOM 1195 O THR A 89 1.875 -14.510 -7.660 1.00 0.00 O ATOM 1196 CB THR A 89 1.742 -14.911 -4.742 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.575 -15.703 -4.732 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.160 -14.603 -3.307 1.00 0.00 C ATOM 0 H THR A 89 -0.322 -13.513 -4.406 1.00 0.00 H new ATOM 0 HA THR A 89 2.363 -12.991 -5.460 1.00 0.00 H new ATOM 0 HB THR A 89 2.544 -15.451 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.753 -16.542 -4.258 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.358 -15.535 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.062 -13.991 -3.314 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.359 -14.063 -2.803 1.00 0.00 H new ATOM 1206 N THR A 90 -0.060 -13.395 -7.368 1.00 0.00 N ATOM 1207 CA THR A 90 -0.507 -13.589 -8.732 1.00 0.00 C ATOM 1208 C THR A 90 -0.533 -12.254 -9.464 1.00 0.00 C ATOM 1209 O THR A 90 -0.387 -12.208 -10.683 1.00 0.00 O ATOM 1210 CB THR A 90 -1.892 -14.229 -8.727 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.784 -15.579 -8.334 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.494 -14.153 -10.127 1.00 0.00 C ATOM 0 H THR A 90 -0.708 -12.868 -6.783 1.00 0.00 H new ATOM 0 HA THR A 90 0.184 -14.252 -9.253 1.00 0.00 H new ATOM 0 HB THR A 90 -2.535 -13.697 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.673 -15.990 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.483 -14.610 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.578 -13.110 -10.431 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.851 -14.685 -10.829 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.719 -11.165 -8.714 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.764 -9.838 -9.292 1.00 0.00 C ATOM 1222 C ALA A 91 0.263 -8.944 -8.610 1.00 0.00 C ATOM 1223 O ALA A 91 0.990 -9.392 -7.727 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.169 -9.263 -9.136 1.00 0.00 C ATOM 0 H ALA A 91 -0.840 -11.186 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.523 -9.891 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.204 -8.264 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.884 -9.907 -9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.424 -9.207 -8.078 1.00 0.00 H new ATOM 1230 N ALA A 92 0.320 -7.676 -9.023 1.00 0.00 N ATOM 1231 CA ALA A 92 1.256 -6.728 -8.453 1.00 0.00 C ATOM 1232 C ALA A 92 0.625 -6.038 -7.252 1.00 0.00 C ATOM 1233 O ALA A 92 -0.489 -5.526 -7.342 1.00 0.00 O ATOM 1234 CB ALA A 92 1.655 -5.707 -9.515 1.00 0.00 C ATOM 0 H ALA A 92 -0.277 -7.289 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 92 2.151 -7.252 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.359 -4.993 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.123 -6.220 -10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.768 -5.178 -9.862 1.00 0.00 H new ATOM 1240 N CYS A 93 1.340 -6.027 -6.124 1.00 0.00 N ATOM 1241 CA CYS A 93 0.848 -5.403 -4.913 1.00 0.00 C ATOM 1242 C CYS A 93 1.567 -4.081 -4.686 1.00 0.00 C ATOM 1243 O CYS A 93 2.684 -3.890 -5.163 1.00 0.00 O ATOM 1244 CB CYS A 93 1.064 -6.345 -3.732 1.00 0.00 C ATOM 1245 SG CYS A 93 0.752 -8.087 -4.114 1.00 0.00 S ATOM 0 H CYS A 93 2.265 -6.448 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.219 -5.202 -5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 93 2.090 -6.239 -3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.412 -6.041 -2.913 1.00 0.00 H new ATOM 1250 N GLN A 94 0.924 -3.166 -3.957 1.00 0.00 N ATOM 1251 CA GLN A 94 1.504 -1.869 -3.673 1.00 0.00 C ATOM 1252 C GLN A 94 0.923 -1.314 -2.380 1.00 0.00 C ATOM 1253 O GLN A 94 -0.291 -1.317 -2.192 1.00 0.00 O ATOM 1254 CB GLN A 94 1.228 -0.924 -4.839 1.00 0.00 C ATOM 1255 CG GLN A 94 1.741 0.471 -4.497 1.00 0.00 C ATOM 1256 CD GLN A 94 0.814 1.542 -5.053 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.268 1.388 -6.144 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.637 2.630 -4.300 1.00 0.00 N ATOM 0 H GLN A 94 -0.002 -3.309 -3.555 1.00 0.00 H new ATOM 0 HA GLN A 94 2.582 -1.968 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.716 -1.291 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.159 -0.889 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.820 0.579 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.743 0.604 -4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.113 2.711 -3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.026 3.380 -4.623 1.00 0.00 H new ATOM 1267 N VAL A 95 1.795 -0.837 -1.489 1.00 0.00 N ATOM 1268 CA VAL A 95 1.366 -0.282 -0.221 1.00 0.00 C ATOM 1269 C VAL A 95 1.215 1.227 -0.344 1.00 0.00 C ATOM 1270 O VAL A 95 1.722 1.828 -1.289 1.00 0.00 O ATOM 1271 CB VAL A 95 2.383 -0.638 0.859 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.242 0.330 2.030 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.133 -2.063 1.345 1.00 0.00 C ATOM 0 H VAL A 95 2.805 -0.828 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 95 0.399 -0.702 0.057 1.00 0.00 H new ATOM 0 HB VAL A 95 3.389 -0.566 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.969 0.076 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.421 1.348 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.235 0.259 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.860 -2.317 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.126 -2.136 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.234 -2.755 0.509 1.00 0.00 H new ATOM 1283 N GLY A 96 0.516 1.840 0.614 1.00 0.00 N ATOM 1284 CA GLY A 96 0.306 3.274 0.602 1.00 0.00 C ATOM 1285 C GLY A 96 -0.494 3.700 1.826 1.00 0.00 C ATOM 1286 O GLY A 96 -1.095 2.865 2.499 1.00 0.00 O ATOM 0 H GLY A 96 0.089 1.358 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.266 3.789 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.223 3.564 -0.306 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.500 5.004 2.112 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.224 5.534 3.251 1.00 0.00 C ATOM 1292 C LEU A 97 -2.083 6.712 2.814 1.00 0.00 C ATOM 1293 O LEU A 97 -1.606 7.606 2.118 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.233 5.958 4.330 1.00 0.00 C ATOM 1295 CG LEU A 97 0.617 7.115 3.814 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.738 8.182 4.898 1.00 0.00 C ATOM 1297 CD2 LEU A 97 2.007 6.602 3.447 1.00 0.00 C ATOM 0 H LEU A 97 -0.007 5.708 1.563 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.879 4.765 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.767 6.259 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.405 5.118 4.603 1.00 0.00 H new ATOM 0 HG LEU A 97 0.145 7.546 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.345 9.008 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.254 8.549 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.210 7.751 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.614 7.429 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.480 6.170 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.921 5.841 2.671 1.00 0.00 H new ATOM 1309 N SER A 98 -3.353 6.712 3.225 1.00 0.00 N ATOM 1310 CA SER A 98 -4.268 7.779 2.876 1.00 0.00 C ATOM 1311 C SER A 98 -4.624 8.582 4.119 1.00 0.00 C ATOM 1312 O SER A 98 -4.589 8.058 5.230 1.00 0.00 O ATOM 1313 CB SER A 98 -5.522 7.185 2.239 1.00 0.00 C ATOM 1314 OG SER A 98 -5.218 6.735 0.937 1.00 0.00 O ATOM 0 H SER A 98 -3.764 5.978 3.802 1.00 0.00 H new ATOM 0 HA SER A 98 -3.794 8.449 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.894 6.358 2.844 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.314 7.933 2.201 1.00 0.00 H new ATOM 0 HG SER A 98 -6.022 6.352 0.527 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.969 9.858 3.929 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.329 10.725 5.033 1.00 0.00 C ATOM 1322 C ASP A 99 -6.802 11.095 4.938 1.00 0.00 C ATOM 1323 O ASP A 99 -7.565 10.436 4.235 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.454 11.975 5.003 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.106 13.075 4.177 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.237 12.863 2.952 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.461 14.107 4.786 1.00 0.00 O ATOM 0 H ASP A 99 -5.004 10.307 3.014 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.165 10.206 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.285 12.330 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.478 11.730 4.584 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.201 12.152 5.649 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.578 12.602 5.642 1.00 0.00 C ATOM 1334 C ALA A 100 -8.933 13.157 4.270 1.00 0.00 C ATOM 1335 O ALA A 100 -9.963 12.802 3.702 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.771 13.663 6.722 1.00 0.00 C ATOM 0 H ALA A 100 -6.580 12.709 6.237 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.240 11.762 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.807 14.002 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.533 13.237 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.112 14.508 6.524 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.074 14.031 3.738 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.301 14.630 2.439 1.00 0.00 C ATOM 1344 C ALA A 101 -8.199 13.566 1.355 1.00 0.00 C ATOM 1345 O ALA A 101 -8.765 13.721 0.276 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.279 15.739 2.206 1.00 0.00 C ATOM 0 H ALA A 101 -7.215 14.334 4.196 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.301 15.062 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.449 16.191 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.384 16.499 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.273 15.320 2.243 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.473 12.483 1.644 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.303 11.405 0.692 1.00 0.00 C ATOM 1354 C GLY A 102 -6.026 11.606 -0.111 1.00 0.00 C ATOM 1355 O GLY A 102 -6.056 11.613 -1.340 1.00 0.00 O ATOM 0 H GLY A 102 -6.996 12.338 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.264 10.450 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.161 11.365 0.020 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.900 11.770 0.587 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.621 11.970 -0.063 1.00 0.00 C ATOM 1361 C ASN A 103 -2.566 11.082 0.582 1.00 0.00 C ATOM 1362 O ASN A 103 -2.821 10.458 1.609 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.225 13.441 0.038 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.260 13.665 1.194 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.179 14.217 1.004 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.655 13.236 2.395 1.00 0.00 N ATOM 0 H ASN A 103 -4.858 11.767 1.606 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.699 11.698 -1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.762 13.762 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.116 14.053 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.049 13.361 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.563 12.783 2.502 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.378 11.027 -0.024 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.295 10.216 0.496 1.00 0.00 C ATOM 1375 C GLY A 104 0.986 10.485 -0.281 1.00 0.00 C ATOM 1376 O GLY A 104 0.972 11.208 -1.274 1.00 0.00 O ATOM 0 H GLY A 104 -1.149 11.538 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.141 10.437 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.556 9.160 0.426 1.00 0.00 H new ATOM 1380 N PRO A 105 2.095 9.899 0.176 1.00 0.00 N ATOM 1381 CA PRO A 105 3.401 10.039 -0.433 1.00 0.00 C ATOM 1382 C PRO A 105 3.441 9.258 -1.739 1.00 0.00 C ATOM 1383 O PRO A 105 2.543 8.468 -2.020 1.00 0.00 O ATOM 1384 CB PRO A 105 4.373 9.450 0.587 1.00 0.00 C ATOM 1385 CG PRO A 105 3.526 8.390 1.289 1.00 0.00 C ATOM 1386 CD PRO A 105 2.147 9.043 1.341 1.00 0.00 C ATOM 0 HA PRO A 105 3.650 11.073 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.249 9.015 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.735 10.206 1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.509 7.452 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.905 8.164 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.355 8.295 1.317 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.016 9.617 2.259 1.00 0.00 H new ATOM 1394 N GLU A 106 4.487 9.481 -2.538 1.00 0.00 N ATOM 1395 CA GLU A 106 4.635 8.798 -3.808 1.00 0.00 C ATOM 1396 C GLU A 106 4.200 7.346 -3.670 1.00 0.00 C ATOM 1397 O GLU A 106 4.696 6.626 -2.806 1.00 0.00 O ATOM 1398 CB GLU A 106 6.089 8.886 -4.264 1.00 0.00 C ATOM 1399 CG GLU A 106 6.972 8.094 -3.305 1.00 0.00 C ATOM 1400 CD GLU A 106 8.430 8.510 -3.441 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.067 8.039 -4.408 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.880 9.290 -2.575 1.00 0.00 O ATOM 0 H GLU A 106 5.241 10.132 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 106 4.002 9.274 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.188 8.493 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.409 9.927 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.638 8.254 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.873 7.028 -3.509 1.00 0.00 H new ATOM 1409 N GLY A 107 3.270 6.916 -4.526 1.00 0.00 N ATOM 1410 CA GLY A 107 2.778 5.553 -4.493 1.00 0.00 C ATOM 1411 C GLY A 107 3.920 4.586 -4.213 1.00 0.00 C ATOM 1412 O GLY A 107 5.086 4.930 -4.391 1.00 0.00 O ATOM 0 H GLY A 107 2.847 7.499 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.012 5.454 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.308 5.306 -5.445 1.00 0.00 H new ATOM 1416 N VAL A 108 3.580 3.371 -3.775 1.00 0.00 N ATOM 1417 CA VAL A 108 4.575 2.362 -3.473 1.00 0.00 C ATOM 1418 C VAL A 108 4.365 1.149 -4.368 1.00 0.00 C ATOM 1419 O VAL A 108 3.469 0.343 -4.125 1.00 0.00 O ATOM 1420 CB VAL A 108 4.473 1.972 -2.001 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.312 0.724 -1.745 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.989 3.118 -1.135 1.00 0.00 C ATOM 0 H VAL A 108 2.617 3.070 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 108 5.572 2.760 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 108 3.432 1.767 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.239 0.446 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.944 -0.095 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.353 0.928 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.917 2.841 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.030 3.323 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.390 4.010 -1.317 1.00 0.00 H new ATOM 1432 N ALA A 109 5.195 1.020 -5.406 1.00 0.00 N ATOM 1433 CA ALA A 109 5.095 -0.091 -6.330 1.00 0.00 C ATOM 1434 C ALA A 109 5.752 -1.324 -5.727 1.00 0.00 C ATOM 1435 O ALA A 109 6.867 -1.248 -5.215 1.00 0.00 O ATOM 1436 CB ALA A 109 5.762 0.285 -7.650 1.00 0.00 C ATOM 0 H ALA A 109 5.944 1.679 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 109 4.046 -0.318 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.687 -0.550 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.264 1.157 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.812 0.518 -7.474 1.00 0.00 H new ATOM 1442 N ILE A 110 5.058 -2.463 -5.786 1.00 0.00 N ATOM 1443 CA ILE A 110 5.574 -3.705 -5.248 1.00 0.00 C ATOM 1444 C ILE A 110 5.294 -4.843 -6.220 1.00 0.00 C ATOM 1445 O ILE A 110 4.787 -4.615 -7.316 1.00 0.00 O ATOM 1446 CB ILE A 110 4.928 -3.979 -3.893 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.416 -4.093 -4.063 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.248 -2.834 -2.937 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.831 -4.880 -2.894 1.00 0.00 C ATOM 0 H ILE A 110 4.132 -2.541 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 110 6.653 -3.627 -5.112 1.00 0.00 H new ATOM 0 HB ILE A 110 5.318 -4.912 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.968 -3.100 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.182 -4.591 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.787 -3.029 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.328 -2.753 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.858 -1.901 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.751 -4.962 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.270 -5.877 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.054 -4.364 -1.960 1.00 0.00 H new ATOM 1461 N SER A 111 5.627 -6.071 -5.816 1.00 0.00 N ATOM 1462 CA SER A 111 5.409 -7.235 -6.652 1.00 0.00 C ATOM 1463 C SER A 111 5.822 -8.494 -5.903 1.00 0.00 C ATOM 1464 O SER A 111 6.678 -8.443 -5.023 1.00 0.00 O ATOM 1465 CB SER A 111 6.207 -7.088 -7.945 1.00 0.00 C ATOM 1466 OG SER A 111 5.364 -7.336 -9.047 1.00 0.00 O ATOM 0 H SER A 111 6.049 -6.277 -4.911 1.00 0.00 H new ATOM 0 HA SER A 111 4.351 -7.316 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.628 -6.085 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.044 -7.786 -7.950 1.00 0.00 H new ATOM 0 HG SER A 111 5.875 -7.240 -9.878 1.00 0.00 H new ATOM 1472 N PHE A 112 5.211 -9.627 -6.254 1.00 0.00 N ATOM 1473 CA PHE A 112 5.519 -10.891 -5.615 1.00 0.00 C ATOM 1474 C PHE A 112 6.317 -11.770 -6.567 1.00 0.00 C ATOM 1475 O PHE A 112 5.838 -12.116 -7.645 1.00 0.00 O ATOM 1476 CB PHE A 112 4.222 -11.579 -5.200 1.00 0.00 C ATOM 1477 CG PHE A 112 3.504 -10.881 -4.070 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.117 -9.543 -4.206 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.223 -11.574 -2.886 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.450 -8.896 -3.159 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.555 -10.927 -1.838 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.169 -9.589 -1.975 1.00 0.00 C ATOM 0 H PHE A 112 4.498 -9.687 -6.981 1.00 0.00 H new ATOM 0 HA PHE A 112 6.122 -10.716 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.558 -11.635 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.443 -12.604 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.333 -9.009 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.521 -12.607 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.152 -7.863 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.338 -11.461 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.654 -9.090 -1.167 1.00 0.00 H new ATOM 1492 N ASN A 113 7.538 -12.133 -6.167 1.00 0.00 N ATOM 1493 CA ASN A 113 8.392 -12.970 -6.985 1.00 0.00 C ATOM 1494 C ASN A 113 8.296 -12.541 -8.443 1.00 0.00 C ATOM 1495 O ASN A 113 9.312 -12.293 -9.088 1.00 0.00 O ATOM 1496 CB ASN A 113 7.978 -14.429 -6.823 1.00 0.00 C ATOM 1497 CG ASN A 113 6.541 -14.640 -7.280 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.299 -14.993 -8.432 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.586 -14.425 -6.371 1.00 0.00 N ATOM 0 H ASN A 113 7.951 -11.855 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 113 9.428 -12.861 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.645 -15.067 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.079 -14.726 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.606 -14.553 -6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.837 -14.133 -5.427 1.00 0.00 H new TER 1506 ASN A 113