USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 708 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 93 MET CE :methyl -145:sc= -0.444 (180deg=-2.03!) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0496 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 10:sc= 0.135 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 44:sc= 0.246 USER MOD Single : A 34 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -109:sc= 0.61 USER MOD Single : A 48 SER OG : rot 171:sc= 0.672 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -86:sc= 0.819 USER MOD Single : A 64 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.18) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 59:sc= 0.19 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 161:sc= -2.84 (180deg=-3.95!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -26:sc= 0.959 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 178:sc= -0.605 USER MOD Single : A 84 SER OG : rot -28:sc= 0.426 USER MOD Single : A 87 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.0059) USER MOD Single : A 88 MET CE :methyl 147:sc= -0.504 (180deg=-2.58) USER MOD Single : A 89 MET CE :methyl 180:sc= -3.95! (180deg=-3.95!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.166 -4.193 -28.841 1.00 0.00 N ATOM 2 CA GLY A 1 -10.228 -5.634 -29.015 1.00 0.00 C ATOM 3 C GLY A 1 -9.079 -6.325 -28.280 1.00 0.00 C ATOM 4 O GLY A 1 -8.609 -5.835 -27.254 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.126 -3.818 -28.704 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.585 -3.969 -28.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.742 -3.759 -29.686 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.181 -6.008 -28.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.184 -5.878 -30.076 1.00 0.00 H new ATOM 8 N SER A 2 -8.659 -7.454 -28.833 1.00 0.00 N ATOM 9 CA SER A 2 -7.573 -8.217 -28.242 1.00 0.00 C ATOM 10 C SER A 2 -7.892 -8.536 -26.780 1.00 0.00 C ATOM 11 O SER A 2 -7.776 -7.670 -25.913 1.00 0.00 O ATOM 12 CB SER A 2 -6.247 -7.460 -28.343 1.00 0.00 C ATOM 13 OG SER A 2 -5.145 -8.338 -28.554 1.00 0.00 O ATOM 0 H SER A 2 -9.051 -7.858 -29.683 1.00 0.00 H new ATOM 0 HA SER A 2 -7.470 -9.150 -28.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.301 -6.743 -29.162 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.085 -6.889 -27.429 1.00 0.00 H new ATOM 0 HG SER A 2 -4.318 -7.816 -28.615 1.00 0.00 H new ATOM 19 N SER A 3 -8.286 -9.779 -26.550 1.00 0.00 N ATOM 20 CA SER A 3 -8.623 -10.222 -25.208 1.00 0.00 C ATOM 21 C SER A 3 -7.643 -11.306 -24.754 1.00 0.00 C ATOM 22 O SER A 3 -6.935 -11.132 -23.763 1.00 0.00 O ATOM 23 CB SER A 3 -10.059 -10.745 -25.144 1.00 0.00 C ATOM 24 OG SER A 3 -10.781 -10.191 -24.047 1.00 0.00 O ATOM 0 H SER A 3 -8.380 -10.494 -27.271 1.00 0.00 H new ATOM 0 HA SER A 3 -8.547 -9.367 -24.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.574 -10.506 -26.075 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.046 -11.831 -25.057 1.00 0.00 H new ATOM 0 HG SER A 3 -11.693 -10.548 -24.042 1.00 0.00 H new ATOM 30 N GLY A 4 -7.634 -12.401 -25.500 1.00 0.00 N ATOM 31 CA GLY A 4 -6.752 -13.513 -25.186 1.00 0.00 C ATOM 32 C GLY A 4 -7.387 -14.439 -24.147 1.00 0.00 C ATOM 33 O GLY A 4 -7.692 -14.013 -23.034 1.00 0.00 O ATOM 0 H GLY A 4 -8.223 -12.542 -26.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.532 -14.075 -26.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.803 -13.134 -24.808 1.00 0.00 H new ATOM 37 N SER A 5 -7.568 -15.689 -24.547 1.00 0.00 N ATOM 38 CA SER A 5 -8.160 -16.679 -23.664 1.00 0.00 C ATOM 39 C SER A 5 -7.135 -17.766 -23.333 1.00 0.00 C ATOM 40 O SER A 5 -7.228 -18.885 -23.834 1.00 0.00 O ATOM 41 CB SER A 5 -9.409 -17.301 -24.293 1.00 0.00 C ATOM 42 OG SER A 5 -10.332 -17.758 -23.308 1.00 0.00 O ATOM 0 H SER A 5 -7.315 -16.039 -25.471 1.00 0.00 H new ATOM 0 HA SER A 5 -8.460 -16.179 -22.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.897 -16.566 -24.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.117 -18.135 -24.931 1.00 0.00 H new ATOM 0 HG SER A 5 -11.116 -18.147 -23.750 1.00 0.00 H new ATOM 48 N SER A 6 -6.181 -17.397 -22.491 1.00 0.00 N ATOM 49 CA SER A 6 -5.139 -18.326 -22.087 1.00 0.00 C ATOM 50 C SER A 6 -5.009 -18.335 -20.562 1.00 0.00 C ATOM 51 O SER A 6 -5.083 -19.391 -19.936 1.00 0.00 O ATOM 52 CB SER A 6 -3.800 -17.966 -22.732 1.00 0.00 C ATOM 53 OG SER A 6 -3.658 -18.546 -24.026 1.00 0.00 O ATOM 0 H SER A 6 -6.108 -16.468 -22.077 1.00 0.00 H new ATOM 0 HA SER A 6 -5.419 -19.323 -22.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.714 -16.882 -22.809 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.986 -18.305 -22.091 1.00 0.00 H new ATOM 0 HG SER A 6 -2.791 -18.291 -24.405 1.00 0.00 H new ATOM 59 N GLY A 7 -4.817 -17.147 -20.009 1.00 0.00 N ATOM 60 CA GLY A 7 -4.676 -17.005 -18.570 1.00 0.00 C ATOM 61 C GLY A 7 -3.561 -16.016 -18.224 1.00 0.00 C ATOM 62 O GLY A 7 -2.404 -16.227 -18.587 1.00 0.00 O ATOM 0 H GLY A 7 -4.756 -16.273 -20.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.617 -16.662 -18.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.457 -17.976 -18.125 1.00 0.00 H new ATOM 66 N SER A 8 -3.947 -14.959 -17.525 1.00 0.00 N ATOM 67 CA SER A 8 -2.994 -13.937 -17.126 1.00 0.00 C ATOM 68 C SER A 8 -3.255 -13.515 -15.678 1.00 0.00 C ATOM 69 O SER A 8 -4.389 -13.576 -15.205 1.00 0.00 O ATOM 70 CB SER A 8 -3.067 -12.723 -18.054 1.00 0.00 C ATOM 71 OG SER A 8 -4.411 -12.327 -18.310 1.00 0.00 O ATOM 0 H SER A 8 -4.907 -14.788 -17.225 1.00 0.00 H new ATOM 0 HA SER A 8 -1.991 -14.357 -17.200 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.523 -11.891 -17.606 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.572 -12.957 -18.997 1.00 0.00 H new ATOM 0 HG SER A 8 -4.415 -11.548 -18.905 1.00 0.00 H new ATOM 77 N ASP A 9 -2.187 -13.097 -15.015 1.00 0.00 N ATOM 78 CA ASP A 9 -2.286 -12.666 -13.632 1.00 0.00 C ATOM 79 C ASP A 9 -3.272 -11.499 -13.535 1.00 0.00 C ATOM 80 O ASP A 9 -3.002 -10.411 -14.041 1.00 0.00 O ATOM 81 CB ASP A 9 -0.932 -12.185 -13.106 1.00 0.00 C ATOM 82 CG ASP A 9 0.252 -13.090 -13.448 1.00 0.00 C ATOM 83 OD1 ASP A 9 0.492 -14.032 -12.662 1.00 0.00 O ATOM 84 OD2 ASP A 9 0.892 -12.819 -14.487 1.00 0.00 O ATOM 0 H ASP A 9 -1.248 -13.048 -15.411 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.623 -13.516 -13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.737 -11.190 -13.505 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.994 -12.087 -12.022 1.00 0.00 H new ATOM 89 N ILE A 10 -4.394 -11.767 -12.883 1.00 0.00 N ATOM 90 CA ILE A 10 -5.421 -10.753 -12.715 1.00 0.00 C ATOM 91 C ILE A 10 -4.905 -9.661 -11.775 1.00 0.00 C ATOM 92 O ILE A 10 -3.988 -9.896 -10.989 1.00 0.00 O ATOM 93 CB ILE A 10 -6.733 -11.391 -12.254 1.00 0.00 C ATOM 94 CG1 ILE A 10 -7.228 -12.422 -13.270 1.00 0.00 C ATOM 95 CG2 ILE A 10 -7.789 -10.323 -11.960 1.00 0.00 C ATOM 96 CD1 ILE A 10 -6.689 -13.816 -12.944 1.00 0.00 C ATOM 0 H ILE A 10 -4.614 -12.671 -12.465 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.643 -10.274 -13.669 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.545 -11.923 -11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.318 -12.441 -13.272 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.912 -12.131 -14.272 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.712 -10.803 -11.634 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.427 -9.661 -11.173 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.981 -9.743 -12.863 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.056 -14.530 -13.682 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.599 -13.799 -12.966 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.027 -14.114 -11.951 1.00 0.00 H new ATOM 108 N ILE A 11 -5.516 -8.491 -11.887 1.00 0.00 N ATOM 109 CA ILE A 11 -5.130 -7.363 -11.057 1.00 0.00 C ATOM 110 C ILE A 11 -6.052 -7.291 -9.839 1.00 0.00 C ATOM 111 O ILE A 11 -7.254 -7.526 -9.952 1.00 0.00 O ATOM 112 CB ILE A 11 -5.101 -6.075 -11.883 1.00 0.00 C ATOM 113 CG1 ILE A 11 -3.929 -6.080 -12.867 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.084 -4.842 -10.977 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.666 -5.513 -12.217 1.00 0.00 C ATOM 0 H ILE A 11 -6.276 -8.300 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.116 -7.497 -10.681 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.016 -6.028 -12.473 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.741 -7.098 -13.209 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.186 -5.490 -13.747 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.063 -3.941 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.978 -4.837 -10.353 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.199 -4.869 -10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.848 -5.528 -12.937 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.850 -4.487 -11.898 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.398 -6.120 -11.352 1.00 0.00 H new ATOM 127 N HIS A 12 -5.454 -6.966 -8.702 1.00 0.00 N ATOM 128 CA HIS A 12 -6.207 -6.861 -7.464 1.00 0.00 C ATOM 129 C HIS A 12 -6.243 -5.401 -7.008 1.00 0.00 C ATOM 130 O HIS A 12 -5.290 -4.655 -7.227 1.00 0.00 O ATOM 131 CB HIS A 12 -5.637 -7.801 -6.400 1.00 0.00 C ATOM 132 CG HIS A 12 -6.118 -9.228 -6.520 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.994 -9.802 -5.616 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.836 -10.188 -7.446 1.00 0.00 C ATOM 135 CE1 HIS A 12 -7.222 -11.052 -5.990 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.503 -11.290 -7.125 1.00 0.00 N ATOM 0 H HIS A 12 -4.457 -6.772 -8.612 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.236 -7.178 -7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.549 -7.789 -6.464 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.903 -7.421 -5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.181 -10.072 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.864 -11.759 -5.485 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.482 -12.169 -7.641 1.00 0.00 H new ATOM 144 N SER A 13 -7.353 -5.038 -6.381 1.00 0.00 N ATOM 145 CA SER A 13 -7.525 -3.681 -5.891 1.00 0.00 C ATOM 146 C SER A 13 -7.417 -3.657 -4.366 1.00 0.00 C ATOM 147 O SER A 13 -8.016 -4.487 -3.684 1.00 0.00 O ATOM 148 CB SER A 13 -8.870 -3.102 -6.337 1.00 0.00 C ATOM 149 OG SER A 13 -9.416 -3.812 -7.445 1.00 0.00 O ATOM 0 H SER A 13 -8.141 -5.660 -6.201 1.00 0.00 H new ATOM 0 HA SER A 13 -6.734 -3.062 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.572 -3.134 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.742 -2.053 -6.606 1.00 0.00 H new ATOM 0 HG SER A 13 -10.275 -3.413 -7.698 1.00 0.00 H new ATOM 155 N VAL A 14 -6.647 -2.696 -3.874 1.00 0.00 N ATOM 156 CA VAL A 14 -6.452 -2.554 -2.441 1.00 0.00 C ATOM 157 C VAL A 14 -6.336 -1.069 -2.092 1.00 0.00 C ATOM 158 O VAL A 14 -5.870 -0.271 -2.905 1.00 0.00 O ATOM 159 CB VAL A 14 -5.238 -3.370 -1.994 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.027 -3.084 -2.885 1.00 0.00 C ATOM 161 CG2 VAL A 14 -4.911 -3.105 -0.523 1.00 0.00 C ATOM 0 H VAL A 14 -6.151 -2.009 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.310 -2.950 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.488 -4.426 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.178 -3.677 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.264 -3.346 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.776 -2.025 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.044 -3.697 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.691 -2.047 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.765 -3.382 0.095 1.00 0.00 H new ATOM 171 N ARG A 15 -6.767 -0.742 -0.883 1.00 0.00 N ATOM 172 CA ARG A 15 -6.717 0.634 -0.417 1.00 0.00 C ATOM 173 C ARG A 15 -6.093 0.698 0.979 1.00 0.00 C ATOM 174 O ARG A 15 -6.750 0.389 1.972 1.00 0.00 O ATOM 175 CB ARG A 15 -8.116 1.251 -0.371 1.00 0.00 C ATOM 176 CG ARG A 15 -8.538 1.754 -1.753 1.00 0.00 C ATOM 177 CD ARG A 15 -9.945 2.353 -1.712 1.00 0.00 C ATOM 178 NE ARG A 15 -10.889 1.479 -2.445 1.00 0.00 N ATOM 179 CZ ARG A 15 -12.219 1.507 -2.283 1.00 0.00 C ATOM 180 NH1 ARG A 15 -12.770 2.365 -1.414 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.997 0.677 -2.991 1.00 0.00 N ATOM 0 H ARG A 15 -7.153 -1.406 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.106 1.201 -1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.832 0.511 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.130 2.077 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.829 2.505 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.510 0.931 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.270 2.467 -0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.938 3.348 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.503 0.814 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.177 2.997 -0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.782 2.386 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.577 0.024 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.009 0.698 -2.868 1.00 0.00 H new ATOM 195 N VAL A 16 -4.831 1.102 1.010 1.00 0.00 N ATOM 196 CA VAL A 16 -4.111 1.211 2.267 1.00 0.00 C ATOM 197 C VAL A 16 -4.117 2.670 2.728 1.00 0.00 C ATOM 198 O VAL A 16 -3.946 3.581 1.919 1.00 0.00 O ATOM 199 CB VAL A 16 -2.701 0.638 2.114 1.00 0.00 C ATOM 200 CG1 VAL A 16 -1.861 0.907 3.365 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.748 -0.857 1.796 1.00 0.00 C ATOM 0 H VAL A 16 -4.289 1.358 0.185 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.604 0.623 3.042 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.223 1.144 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.863 0.489 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.785 1.982 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.335 0.441 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.732 -1.239 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.254 -1.385 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.292 -1.014 0.864 1.00 0.00 H new ATOM 211 N GLU A 17 -4.315 2.847 4.026 1.00 0.00 N ATOM 212 CA GLU A 17 -4.345 4.179 4.604 1.00 0.00 C ATOM 213 C GLU A 17 -3.165 4.371 5.558 1.00 0.00 C ATOM 214 O GLU A 17 -2.657 3.405 6.125 1.00 0.00 O ATOM 215 CB GLU A 17 -5.674 4.438 5.317 1.00 0.00 C ATOM 216 CG GLU A 17 -5.813 3.551 6.556 1.00 0.00 C ATOM 217 CD GLU A 17 -6.551 4.287 7.677 1.00 0.00 C ATOM 218 OE1 GLU A 17 -7.631 4.840 7.376 1.00 0.00 O ATOM 219 OE2 GLU A 17 -6.019 4.279 8.808 1.00 0.00 O ATOM 0 H GLU A 17 -4.456 2.089 4.694 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.256 4.906 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.737 5.487 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.501 4.246 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.353 2.640 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.825 3.248 6.904 1.00 0.00 H new ATOM 226 N LYS A 18 -2.762 5.625 5.707 1.00 0.00 N ATOM 227 CA LYS A 18 -1.651 5.955 6.582 1.00 0.00 C ATOM 228 C LYS A 18 -2.121 5.902 8.038 1.00 0.00 C ATOM 229 O LYS A 18 -3.306 6.077 8.318 1.00 0.00 O ATOM 230 CB LYS A 18 -1.035 7.298 6.183 1.00 0.00 C ATOM 231 CG LYS A 18 -1.969 8.456 6.538 1.00 0.00 C ATOM 232 CD LYS A 18 -1.349 9.800 6.148 1.00 0.00 C ATOM 233 CE LYS A 18 -1.360 10.772 7.329 1.00 0.00 C ATOM 234 NZ LYS A 18 -0.188 11.674 7.270 1.00 0.00 N ATOM 0 H LYS A 18 -3.186 6.424 5.236 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.852 5.221 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.079 7.429 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.832 7.305 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.923 8.329 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.178 8.445 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.325 9.647 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.901 10.231 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.279 11.359 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.351 10.215 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.211 12.327 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.686 11.111 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.214 12.219 6.385 1.00 0.00 H new ATOM 248 N SER A 19 -1.167 5.662 8.925 1.00 0.00 N ATOM 249 CA SER A 19 -1.469 5.584 10.345 1.00 0.00 C ATOM 250 C SER A 19 -0.283 6.103 11.161 1.00 0.00 C ATOM 251 O SER A 19 0.864 6.006 10.727 1.00 0.00 O ATOM 252 CB SER A 19 -1.810 4.151 10.758 1.00 0.00 C ATOM 253 OG SER A 19 -3.132 3.784 10.372 1.00 0.00 O ATOM 0 H SER A 19 -0.185 5.519 8.689 1.00 0.00 H new ATOM 0 HA SER A 19 -2.340 6.208 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.096 3.463 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.707 4.051 11.838 1.00 0.00 H new ATOM 0 HG SER A 19 -3.505 4.474 9.784 1.00 0.00 H new ATOM 259 N PRO A 20 -0.610 6.658 12.359 1.00 0.00 N ATOM 260 CA PRO A 20 0.415 7.193 13.239 1.00 0.00 C ATOM 261 C PRO A 20 1.186 6.067 13.932 1.00 0.00 C ATOM 262 O PRO A 20 1.187 5.974 15.158 1.00 0.00 O ATOM 263 CB PRO A 20 -0.332 8.088 14.215 1.00 0.00 C ATOM 264 CG PRO A 20 -1.789 7.661 14.140 1.00 0.00 C ATOM 265 CD PRO A 20 -1.957 6.791 12.905 1.00 0.00 C ATOM 0 HA PRO A 20 1.176 7.759 12.702 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.057 7.973 15.227 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.218 9.138 13.947 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.072 7.110 15.037 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.440 8.533 14.084 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.379 5.819 13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.632 7.252 12.185 1.00 0.00 H new ATOM 273 N ALA A 21 1.823 5.240 13.115 1.00 0.00 N ATOM 274 CA ALA A 21 2.595 4.124 13.634 1.00 0.00 C ATOM 275 C ALA A 21 4.046 4.254 13.166 1.00 0.00 C ATOM 276 O ALA A 21 4.966 4.278 13.983 1.00 0.00 O ATOM 277 CB ALA A 21 1.954 2.809 13.188 1.00 0.00 C ATOM 0 H ALA A 21 1.820 5.321 12.098 1.00 0.00 H new ATOM 0 HA ALA A 21 2.598 4.132 14.724 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.533 1.972 13.577 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.934 2.754 13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.937 2.763 12.099 1.00 0.00 H new ATOM 283 N GLY A 22 4.207 4.333 11.853 1.00 0.00 N ATOM 284 CA GLY A 22 5.530 4.459 11.267 1.00 0.00 C ATOM 285 C GLY A 22 5.646 3.624 9.990 1.00 0.00 C ATOM 286 O GLY A 22 5.498 4.147 8.887 1.00 0.00 O ATOM 0 H GLY A 22 3.442 4.312 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.733 5.506 11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.283 4.136 11.986 1.00 0.00 H new ATOM 290 N ARG A 23 5.910 2.340 10.183 1.00 0.00 N ATOM 291 CA ARG A 23 6.048 1.428 9.060 1.00 0.00 C ATOM 292 C ARG A 23 4.674 1.105 8.467 1.00 0.00 C ATOM 293 O ARG A 23 3.698 0.954 9.200 1.00 0.00 O ATOM 294 CB ARG A 23 6.730 0.127 9.488 1.00 0.00 C ATOM 295 CG ARG A 23 8.168 0.066 8.970 1.00 0.00 C ATOM 296 CD ARG A 23 9.114 -0.478 10.042 1.00 0.00 C ATOM 297 NE ARG A 23 9.952 -1.559 9.477 1.00 0.00 N ATOM 298 CZ ARG A 23 10.964 -1.357 8.623 1.00 0.00 C ATOM 299 NH1 ARG A 23 11.271 -0.114 8.230 1.00 0.00 N ATOM 300 NH2 ARG A 23 11.670 -2.399 8.162 1.00 0.00 N ATOM 0 H ARG A 23 6.032 1.910 11.100 1.00 0.00 H new ATOM 0 HA ARG A 23 6.666 1.918 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.728 0.052 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.166 -0.725 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.213 -0.568 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.491 1.061 8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.748 0.324 10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.539 -0.856 10.888 1.00 0.00 H new ATOM 0 HE ARG A 23 9.746 -2.518 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.734 0.679 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.042 0.040 7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.437 -3.346 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.441 -2.245 7.512 1.00 0.00 H new ATOM 314 N LEU A 24 4.644 1.008 7.146 1.00 0.00 N ATOM 315 CA LEU A 24 3.406 0.706 6.447 1.00 0.00 C ATOM 316 C LEU A 24 2.695 -0.450 7.154 1.00 0.00 C ATOM 317 O LEU A 24 3.330 -1.243 7.847 1.00 0.00 O ATOM 318 CB LEU A 24 3.679 0.444 4.964 1.00 0.00 C ATOM 319 CG LEU A 24 3.222 1.537 3.995 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.807 2.011 4.332 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.223 2.694 3.962 1.00 0.00 C ATOM 0 H LEU A 24 5.456 1.133 6.542 1.00 0.00 H new ATOM 0 HA LEU A 24 2.732 1.562 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.751 0.295 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.191 -0.489 4.684 1.00 0.00 H new ATOM 0 HG LEU A 24 3.188 1.113 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.506 2.788 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.116 1.171 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.789 2.413 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.874 3.457 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.313 3.126 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.196 2.324 3.638 1.00 0.00 H new ATOM 333 N GLY A 25 1.387 -0.508 6.954 1.00 0.00 N ATOM 334 CA GLY A 25 0.582 -1.553 7.564 1.00 0.00 C ATOM 335 C GLY A 25 1.013 -2.935 7.070 1.00 0.00 C ATOM 336 O GLY A 25 0.606 -3.953 7.629 1.00 0.00 O ATOM 0 H GLY A 25 0.864 0.152 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.678 -1.504 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.470 -1.391 7.329 1.00 0.00 H new ATOM 340 N PHE A 26 1.831 -2.928 6.028 1.00 0.00 N ATOM 341 CA PHE A 26 2.322 -4.169 5.453 1.00 0.00 C ATOM 342 C PHE A 26 3.848 -4.158 5.348 1.00 0.00 C ATOM 343 O PHE A 26 4.468 -3.096 5.360 1.00 0.00 O ATOM 344 CB PHE A 26 1.727 -4.276 4.048 1.00 0.00 C ATOM 345 CG PHE A 26 1.979 -3.049 3.170 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.352 -1.874 3.447 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.830 -3.132 2.112 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.585 -0.735 2.632 1.00 0.00 C ATOM 349 CE2 PHE A 26 3.064 -1.993 1.297 1.00 0.00 C ATOM 350 CZ PHE A 26 2.436 -0.818 1.574 1.00 0.00 C ATOM 0 H PHE A 26 2.166 -2.082 5.567 1.00 0.00 H new ATOM 0 HA PHE A 26 2.034 -5.011 6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.143 -5.155 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.652 -4.436 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.677 -1.808 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.328 -4.065 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.087 0.197 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.740 -2.059 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.613 0.048 0.954 1.00 0.00 H new ATOM 360 N SER A 27 4.411 -5.354 5.249 1.00 0.00 N ATOM 361 CA SER A 27 5.853 -5.496 5.142 1.00 0.00 C ATOM 362 C SER A 27 6.233 -5.925 3.724 1.00 0.00 C ATOM 363 O SER A 27 5.746 -6.940 3.227 1.00 0.00 O ATOM 364 CB SER A 27 6.384 -6.505 6.162 1.00 0.00 C ATOM 365 OG SER A 27 7.640 -6.106 6.704 1.00 0.00 O ATOM 0 H SER A 27 3.894 -6.233 5.241 1.00 0.00 H new ATOM 0 HA SER A 27 6.309 -4.529 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.661 -6.619 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.488 -7.480 5.687 1.00 0.00 H new ATOM 0 HG SER A 27 7.944 -6.775 7.352 1.00 0.00 H new ATOM 371 N VAL A 28 7.100 -5.132 3.112 1.00 0.00 N ATOM 372 CA VAL A 28 7.551 -5.417 1.760 1.00 0.00 C ATOM 373 C VAL A 28 9.001 -5.903 1.803 1.00 0.00 C ATOM 374 O VAL A 28 9.779 -5.473 2.653 1.00 0.00 O ATOM 375 CB VAL A 28 7.359 -4.185 0.874 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.876 -3.836 0.733 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.155 -2.994 1.411 1.00 0.00 C ATOM 0 H VAL A 28 7.502 -4.292 3.527 1.00 0.00 H new ATOM 0 HA VAL A 28 6.954 -6.215 1.318 1.00 0.00 H new ATOM 0 HB VAL A 28 7.742 -4.423 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.768 -2.956 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.346 -4.675 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.456 -3.627 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.001 -2.131 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.817 -2.755 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.215 -3.246 1.434 1.00 0.00 H new ATOM 387 N ARG A 29 9.321 -6.793 0.876 1.00 0.00 N ATOM 388 CA ARG A 29 10.664 -7.342 0.797 1.00 0.00 C ATOM 389 C ARG A 29 11.342 -6.902 -0.502 1.00 0.00 C ATOM 390 O ARG A 29 10.673 -6.476 -1.442 1.00 0.00 O ATOM 391 CB ARG A 29 10.638 -8.871 0.858 1.00 0.00 C ATOM 392 CG ARG A 29 9.949 -9.458 -0.375 1.00 0.00 C ATOM 393 CD ARG A 29 10.202 -10.963 -0.481 1.00 0.00 C ATOM 394 NE ARG A 29 9.650 -11.481 -1.753 1.00 0.00 N ATOM 395 CZ ARG A 29 9.895 -12.707 -2.235 1.00 0.00 C ATOM 396 NH1 ARG A 29 10.684 -13.549 -1.553 1.00 0.00 N ATOM 397 NH2 ARG A 29 9.352 -13.091 -3.397 1.00 0.00 N ATOM 0 H ARG A 29 8.673 -7.148 0.173 1.00 0.00 H new ATOM 0 HA ARG A 29 11.227 -6.965 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.657 -9.253 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.116 -9.194 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.877 -9.269 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.316 -8.960 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.272 -11.165 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.741 -11.478 0.362 1.00 0.00 H new ATOM 0 HE ARG A 29 9.045 -10.866 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.097 -13.256 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.871 -14.482 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.752 -12.450 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.539 -14.024 -3.763 1.00 0.00 H new ATOM 411 N GLY A 30 12.662 -7.020 -0.513 1.00 0.00 N ATOM 412 CA GLY A 30 13.438 -6.639 -1.681 1.00 0.00 C ATOM 413 C GLY A 30 12.717 -7.036 -2.971 1.00 0.00 C ATOM 414 O GLY A 30 12.145 -8.121 -3.058 1.00 0.00 O ATOM 0 H GLY A 30 13.214 -7.374 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.610 -5.563 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.416 -7.118 -1.644 1.00 0.00 H new ATOM 418 N GLY A 31 12.769 -6.135 -3.941 1.00 0.00 N ATOM 419 CA GLY A 31 12.129 -6.377 -5.222 1.00 0.00 C ATOM 420 C GLY A 31 12.467 -5.270 -6.222 1.00 0.00 C ATOM 421 O GLY A 31 11.603 -4.473 -6.588 1.00 0.00 O ATOM 0 H GLY A 31 13.245 -5.236 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.452 -7.340 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.049 -6.433 -5.088 1.00 0.00 H new ATOM 425 N SER A 32 13.725 -5.255 -6.637 1.00 0.00 N ATOM 426 CA SER A 32 14.188 -4.258 -7.588 1.00 0.00 C ATOM 427 C SER A 32 15.691 -4.418 -7.824 1.00 0.00 C ATOM 428 O SER A 32 16.501 -3.967 -7.016 1.00 0.00 O ATOM 429 CB SER A 32 13.875 -2.843 -7.098 1.00 0.00 C ATOM 430 OG SER A 32 14.302 -2.636 -5.754 1.00 0.00 O ATOM 0 H SER A 32 14.438 -5.917 -6.332 1.00 0.00 H new ATOM 0 HA SER A 32 13.661 -4.412 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.363 -2.118 -7.749 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.802 -2.664 -7.169 1.00 0.00 H new ATOM 0 HG SER A 32 15.199 -3.013 -5.634 1.00 0.00 H new ATOM 436 N GLU A 33 16.018 -5.062 -8.934 1.00 0.00 N ATOM 437 CA GLU A 33 17.409 -5.288 -9.287 1.00 0.00 C ATOM 438 C GLU A 33 17.504 -6.089 -10.587 1.00 0.00 C ATOM 439 O GLU A 33 17.901 -5.554 -11.622 1.00 0.00 O ATOM 440 CB GLU A 33 18.155 -5.994 -8.152 1.00 0.00 C ATOM 441 CG GLU A 33 19.532 -5.367 -7.928 1.00 0.00 C ATOM 442 CD GLU A 33 19.532 -4.472 -6.688 1.00 0.00 C ATOM 443 OE1 GLU A 33 19.053 -4.955 -5.639 1.00 0.00 O ATOM 444 OE2 GLU A 33 20.011 -3.324 -6.816 1.00 0.00 O ATOM 0 H GLU A 33 15.343 -5.435 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 33 17.885 -4.320 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.570 -5.933 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.267 -7.052 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 33 20.279 -6.153 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.816 -4.782 -8.803 1.00 0.00 H new ATOM 451 N HIS A 34 17.134 -7.357 -10.492 1.00 0.00 N ATOM 452 CA HIS A 34 17.173 -8.237 -11.648 1.00 0.00 C ATOM 453 C HIS A 34 16.200 -7.727 -12.713 1.00 0.00 C ATOM 454 O HIS A 34 16.596 -7.472 -13.849 1.00 0.00 O ATOM 455 CB HIS A 34 16.898 -9.685 -11.238 1.00 0.00 C ATOM 456 CG HIS A 34 18.019 -10.641 -11.571 1.00 0.00 C ATOM 457 ND1 HIS A 34 17.829 -11.786 -12.324 1.00 0.00 N ATOM 458 CD2 HIS A 34 19.343 -10.609 -11.246 1.00 0.00 C ATOM 459 CE1 HIS A 34 18.993 -12.408 -12.440 1.00 0.00 C ATOM 460 NE2 HIS A 34 19.930 -11.677 -11.771 1.00 0.00 N ATOM 0 H HIS A 34 16.806 -7.797 -9.632 1.00 0.00 H new ATOM 0 HA HIS A 34 18.172 -8.228 -12.084 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.712 -9.719 -10.164 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.987 -10.024 -11.730 1.00 0.00 H new ATOM 0 HD2 HIS A 34 19.831 -9.844 -10.660 1.00 0.00 H new ATOM 0 HE1 HIS A 34 19.169 -13.332 -12.971 1.00 0.00 H new ATOM 0 HE2 HIS A 34 20.919 -11.912 -11.688 1.00 0.00 H new ATOM 468 N GLY A 35 14.946 -7.595 -12.308 1.00 0.00 N ATOM 469 CA GLY A 35 13.913 -7.120 -13.214 1.00 0.00 C ATOM 470 C GLY A 35 12.520 -7.484 -12.696 1.00 0.00 C ATOM 471 O GLY A 35 11.824 -8.301 -13.298 1.00 0.00 O ATOM 0 H GLY A 35 14.621 -7.808 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.992 -6.039 -13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.063 -7.555 -14.202 1.00 0.00 H new ATOM 475 N LEU A 36 12.155 -6.861 -11.586 1.00 0.00 N ATOM 476 CA LEU A 36 10.857 -7.109 -10.980 1.00 0.00 C ATOM 477 C LEU A 36 10.417 -5.868 -10.201 1.00 0.00 C ATOM 478 O LEU A 36 11.140 -4.874 -10.151 1.00 0.00 O ATOM 479 CB LEU A 36 10.895 -8.384 -10.135 1.00 0.00 C ATOM 480 CG LEU A 36 12.242 -8.723 -9.494 1.00 0.00 C ATOM 481 CD1 LEU A 36 12.508 -7.837 -8.275 1.00 0.00 C ATOM 482 CD2 LEU A 36 12.326 -10.212 -9.149 1.00 0.00 C ATOM 0 H LEU A 36 12.735 -6.185 -11.090 1.00 0.00 H new ATOM 0 HA LEU A 36 10.105 -7.286 -11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.151 -8.294 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.593 -9.222 -10.763 1.00 0.00 H new ATOM 0 HG LEU A 36 13.028 -8.516 -10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.472 -8.099 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.520 -6.791 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.721 -7.989 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.293 -10.426 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.531 -10.469 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.213 -10.803 -10.058 1.00 0.00 H new ATOM 494 N GLY A 37 9.234 -5.966 -9.613 1.00 0.00 N ATOM 495 CA GLY A 37 8.689 -4.864 -8.839 1.00 0.00 C ATOM 496 C GLY A 37 8.777 -5.151 -7.339 1.00 0.00 C ATOM 497 O GLY A 37 9.593 -5.963 -6.906 1.00 0.00 O ATOM 0 H GLY A 37 8.637 -6.792 -9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.233 -3.948 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.649 -4.696 -9.120 1.00 0.00 H new ATOM 501 N ILE A 38 7.926 -4.469 -6.587 1.00 0.00 N ATOM 502 CA ILE A 38 7.898 -4.640 -5.144 1.00 0.00 C ATOM 503 C ILE A 38 7.122 -5.914 -4.802 1.00 0.00 C ATOM 504 O ILE A 38 6.269 -6.352 -5.573 1.00 0.00 O ATOM 505 CB ILE A 38 7.348 -3.384 -4.466 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.040 -2.127 -4.997 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.449 -3.494 -2.943 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.533 -2.140 -4.662 1.00 0.00 C ATOM 0 H ILE A 38 7.250 -3.797 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 38 8.908 -4.767 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 38 6.290 -3.298 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.907 -2.063 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.574 -1.241 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.051 -2.588 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.875 -4.355 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.493 -3.617 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.001 -1.236 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.663 -2.180 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.000 -3.014 -5.116 1.00 0.00 H new ATOM 520 N PHE A 39 7.446 -6.472 -3.645 1.00 0.00 N ATOM 521 CA PHE A 39 6.790 -7.687 -3.191 1.00 0.00 C ATOM 522 C PHE A 39 6.427 -7.592 -1.707 1.00 0.00 C ATOM 523 O PHE A 39 7.106 -6.911 -0.941 1.00 0.00 O ATOM 524 CB PHE A 39 7.784 -8.833 -3.388 1.00 0.00 C ATOM 525 CG PHE A 39 7.741 -9.461 -4.782 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.440 -8.898 -5.804 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.003 -10.583 -5.000 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.399 -9.482 -7.098 1.00 0.00 C ATOM 529 CE2 PHE A 39 6.962 -11.166 -6.294 1.00 0.00 C ATOM 530 CZ PHE A 39 7.661 -10.603 -7.316 1.00 0.00 C ATOM 0 H PHE A 39 8.154 -6.106 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 39 5.870 -7.845 -3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.792 -8.463 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.583 -9.606 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.026 -8.007 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.448 -11.030 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.954 -9.035 -7.909 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.376 -12.056 -6.467 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.630 -11.046 -8.300 1.00 0.00 H new ATOM 540 N VAL A 40 5.357 -8.286 -1.348 1.00 0.00 N ATOM 541 CA VAL A 40 4.896 -8.288 0.030 1.00 0.00 C ATOM 542 C VAL A 40 5.343 -9.584 0.711 1.00 0.00 C ATOM 543 O VAL A 40 5.158 -10.671 0.166 1.00 0.00 O ATOM 544 CB VAL A 40 3.380 -8.082 0.075 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.912 -7.768 1.497 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.947 -6.985 -0.900 1.00 0.00 C ATOM 0 H VAL A 40 4.797 -8.850 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 40 5.340 -7.460 0.582 1.00 0.00 H new ATOM 0 HB VAL A 40 2.905 -9.013 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.831 -7.626 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.172 -8.596 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.399 -6.858 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.866 -6.859 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.435 -6.048 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.231 -7.266 -1.914 1.00 0.00 H new ATOM 556 N SER A 41 5.923 -9.425 1.891 1.00 0.00 N ATOM 557 CA SER A 41 6.398 -10.568 2.652 1.00 0.00 C ATOM 558 C SER A 41 5.483 -10.814 3.853 1.00 0.00 C ATOM 559 O SER A 41 4.995 -11.926 4.048 1.00 0.00 O ATOM 560 CB SER A 41 7.840 -10.359 3.118 1.00 0.00 C ATOM 561 OG SER A 41 8.109 -11.034 4.343 1.00 0.00 O ATOM 0 H SER A 41 6.075 -8.521 2.339 1.00 0.00 H new ATOM 0 HA SER A 41 6.378 -11.443 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.525 -10.717 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.030 -9.293 3.243 1.00 0.00 H new ATOM 0 HG SER A 41 9.040 -10.877 4.605 1.00 0.00 H new ATOM 567 N LYS A 42 5.278 -9.758 4.626 1.00 0.00 N ATOM 568 CA LYS A 42 4.430 -9.846 5.803 1.00 0.00 C ATOM 569 C LYS A 42 3.355 -8.759 5.735 1.00 0.00 C ATOM 570 O LYS A 42 3.441 -7.847 4.913 1.00 0.00 O ATOM 571 CB LYS A 42 5.275 -9.796 7.078 1.00 0.00 C ATOM 572 CG LYS A 42 4.635 -10.626 8.193 1.00 0.00 C ATOM 573 CD LYS A 42 4.233 -9.740 9.373 1.00 0.00 C ATOM 574 CE LYS A 42 4.427 -10.474 10.701 1.00 0.00 C ATOM 575 NZ LYS A 42 4.943 -9.549 11.735 1.00 0.00 N ATOM 0 H LYS A 42 5.684 -8.837 4.461 1.00 0.00 H new ATOM 0 HA LYS A 42 3.913 -10.805 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.277 -10.172 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.384 -8.762 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.757 -11.145 7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.335 -11.391 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.830 -8.828 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.190 -9.440 9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.480 -10.902 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.122 -11.303 10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.069 -10.064 12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.857 -9.160 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.266 -8.772 11.875 1.00 0.00 H new ATOM 589 N VAL A 43 2.368 -8.891 6.608 1.00 0.00 N ATOM 590 CA VAL A 43 1.279 -7.931 6.657 1.00 0.00 C ATOM 591 C VAL A 43 0.836 -7.742 8.110 1.00 0.00 C ATOM 592 O VAL A 43 0.240 -8.640 8.702 1.00 0.00 O ATOM 593 CB VAL A 43 0.141 -8.384 5.739 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.114 -7.538 5.964 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.573 -8.346 4.272 1.00 0.00 C ATOM 0 H VAL A 43 2.300 -9.649 7.287 1.00 0.00 H new ATOM 0 HA VAL A 43 1.609 -6.960 6.289 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.102 -9.417 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.907 -7.880 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.439 -7.638 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.890 -6.492 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.253 -8.672 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.856 -7.328 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.425 -9.010 4.126 1.00 0.00 H new ATOM 605 N GLU A 44 1.144 -6.569 8.641 1.00 0.00 N ATOM 606 CA GLU A 44 0.786 -6.251 10.013 1.00 0.00 C ATOM 607 C GLU A 44 -0.697 -6.543 10.255 1.00 0.00 C ATOM 608 O GLU A 44 -1.554 -6.093 9.497 1.00 0.00 O ATOM 609 CB GLU A 44 1.118 -4.794 10.343 1.00 0.00 C ATOM 610 CG GLU A 44 1.939 -4.698 11.630 1.00 0.00 C ATOM 611 CD GLU A 44 1.075 -5.001 12.856 1.00 0.00 C ATOM 612 OE1 GLU A 44 0.377 -4.066 13.304 1.00 0.00 O ATOM 613 OE2 GLU A 44 1.132 -6.161 13.317 1.00 0.00 O ATOM 0 H GLU A 44 1.638 -5.826 8.146 1.00 0.00 H new ATOM 0 HA GLU A 44 1.375 -6.883 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.674 -4.348 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.196 -4.223 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.773 -5.398 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.366 -3.699 11.720 1.00 0.00 H new ATOM 620 N GLU A 45 -0.953 -7.296 11.315 1.00 0.00 N ATOM 621 CA GLU A 45 -2.316 -7.654 11.667 1.00 0.00 C ATOM 622 C GLU A 45 -3.065 -6.432 12.202 1.00 0.00 C ATOM 623 O GLU A 45 -2.447 -5.432 12.567 1.00 0.00 O ATOM 624 CB GLU A 45 -2.338 -8.798 12.682 1.00 0.00 C ATOM 625 CG GLU A 45 -2.175 -8.268 14.108 1.00 0.00 C ATOM 626 CD GLU A 45 -1.772 -9.390 15.067 1.00 0.00 C ATOM 627 OE1 GLU A 45 -2.374 -10.479 14.952 1.00 0.00 O ATOM 628 OE2 GLU A 45 -0.870 -9.134 15.894 1.00 0.00 O ATOM 0 H GLU A 45 -0.239 -7.668 11.941 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.823 -8.001 10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.277 -9.345 12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.537 -9.503 12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.420 -7.482 14.124 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.110 -7.818 14.442 1.00 0.00 H new ATOM 635 N GLY A 46 -4.384 -6.551 12.230 1.00 0.00 N ATOM 636 CA GLY A 46 -5.223 -5.468 12.714 1.00 0.00 C ATOM 637 C GLY A 46 -4.763 -4.123 12.148 1.00 0.00 C ATOM 638 O GLY A 46 -4.966 -3.081 12.770 1.00 0.00 O ATOM 0 H GLY A 46 -4.893 -7.381 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.259 -5.651 12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.192 -5.438 13.803 1.00 0.00 H new ATOM 642 N SER A 47 -4.152 -4.189 10.974 1.00 0.00 N ATOM 643 CA SER A 47 -3.662 -2.989 10.317 1.00 0.00 C ATOM 644 C SER A 47 -4.606 -2.592 9.181 1.00 0.00 C ATOM 645 O SER A 47 -5.610 -3.261 8.941 1.00 0.00 O ATOM 646 CB SER A 47 -2.243 -3.195 9.782 1.00 0.00 C ATOM 647 OG SER A 47 -2.231 -3.412 8.374 1.00 0.00 O ATOM 0 H SER A 47 -3.985 -5.055 10.461 1.00 0.00 H new ATOM 0 HA SER A 47 -3.631 -2.185 11.052 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.635 -2.322 10.020 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.786 -4.048 10.284 1.00 0.00 H new ATOM 0 HG SER A 47 -2.009 -4.349 8.189 1.00 0.00 H new ATOM 653 N SER A 48 -4.250 -1.506 8.511 1.00 0.00 N ATOM 654 CA SER A 48 -5.053 -1.011 7.406 1.00 0.00 C ATOM 655 C SER A 48 -4.799 -1.856 6.156 1.00 0.00 C ATOM 656 O SER A 48 -5.651 -1.935 5.272 1.00 0.00 O ATOM 657 CB SER A 48 -4.751 0.462 7.122 1.00 0.00 C ATOM 658 OG SER A 48 -3.351 0.716 7.051 1.00 0.00 O ATOM 0 H SER A 48 -3.416 -0.955 8.712 1.00 0.00 H new ATOM 0 HA SER A 48 -6.104 -1.091 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.220 0.754 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.192 1.080 7.904 1.00 0.00 H new ATOM 0 HG SER A 48 -3.200 1.631 6.733 1.00 0.00 H new ATOM 664 N ALA A 49 -3.623 -2.466 6.122 1.00 0.00 N ATOM 665 CA ALA A 49 -3.246 -3.302 4.995 1.00 0.00 C ATOM 666 C ALA A 49 -4.116 -4.560 4.985 1.00 0.00 C ATOM 667 O ALA A 49 -4.953 -4.734 4.100 1.00 0.00 O ATOM 668 CB ALA A 49 -1.753 -3.626 5.076 1.00 0.00 C ATOM 0 H ALA A 49 -2.919 -2.398 6.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.415 -2.777 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.470 -4.253 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.178 -2.700 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.546 -4.156 6.006 1.00 0.00 H new ATOM 674 N GLU A 50 -3.889 -5.405 5.980 1.00 0.00 N ATOM 675 CA GLU A 50 -4.642 -6.643 6.097 1.00 0.00 C ATOM 676 C GLU A 50 -6.131 -6.382 5.864 1.00 0.00 C ATOM 677 O GLU A 50 -6.859 -7.270 5.424 1.00 0.00 O ATOM 678 CB GLU A 50 -4.407 -7.301 7.458 1.00 0.00 C ATOM 679 CG GLU A 50 -3.889 -8.731 7.294 1.00 0.00 C ATOM 680 CD GLU A 50 -4.482 -9.655 8.359 1.00 0.00 C ATOM 681 OE1 GLU A 50 -5.646 -9.406 8.742 1.00 0.00 O ATOM 682 OE2 GLU A 50 -3.759 -10.590 8.766 1.00 0.00 O ATOM 0 H GLU A 50 -3.195 -5.257 6.712 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.290 -7.334 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.689 -6.714 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.337 -7.310 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.145 -9.103 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.801 -8.738 7.366 1.00 0.00 H new ATOM 689 N ARG A 51 -6.540 -5.159 6.170 1.00 0.00 N ATOM 690 CA ARG A 51 -7.930 -4.771 6.000 1.00 0.00 C ATOM 691 C ARG A 51 -8.161 -4.235 4.585 1.00 0.00 C ATOM 692 O ARG A 51 -9.221 -4.453 4.001 1.00 0.00 O ATOM 693 CB ARG A 51 -8.331 -3.699 7.015 1.00 0.00 C ATOM 694 CG ARG A 51 -8.614 -4.320 8.385 1.00 0.00 C ATOM 695 CD ARG A 51 -9.635 -3.488 9.163 1.00 0.00 C ATOM 696 NE ARG A 51 -8.939 -2.592 10.114 1.00 0.00 N ATOM 697 CZ ARG A 51 -9.557 -1.685 10.881 1.00 0.00 C ATOM 698 NH1 ARG A 51 -10.888 -1.547 10.816 1.00 0.00 N ATOM 699 NH2 ARG A 51 -8.844 -0.915 11.715 1.00 0.00 N ATOM 0 H ARG A 51 -5.933 -4.424 6.534 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.544 -5.657 6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.534 -2.961 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.216 -3.171 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.988 -5.336 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.687 -4.391 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.239 -2.900 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.317 -4.145 9.703 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.925 -2.671 10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.431 -2.133 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.358 -0.856 11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.831 -1.020 11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.315 -0.224 12.299 1.00 0.00 H new ATOM 713 N ALA A 52 -7.152 -3.543 4.076 1.00 0.00 N ATOM 714 CA ALA A 52 -7.233 -2.975 2.742 1.00 0.00 C ATOM 715 C ALA A 52 -7.343 -4.105 1.716 1.00 0.00 C ATOM 716 O ALA A 52 -7.811 -3.891 0.599 1.00 0.00 O ATOM 717 CB ALA A 52 -6.017 -2.080 2.494 1.00 0.00 C ATOM 0 H ALA A 52 -6.274 -3.363 4.564 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.123 -2.353 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.077 -1.653 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.000 -1.277 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.106 -2.672 2.582 1.00 0.00 H new ATOM 723 N GLY A 53 -6.904 -5.284 2.132 1.00 0.00 N ATOM 724 CA GLY A 53 -6.948 -6.448 1.264 1.00 0.00 C ATOM 725 C GLY A 53 -5.543 -7.005 1.022 1.00 0.00 C ATOM 726 O GLY A 53 -5.390 -8.093 0.469 1.00 0.00 O ATOM 0 H GLY A 53 -6.516 -5.458 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.576 -7.218 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.405 -6.179 0.312 1.00 0.00 H new ATOM 730 N LEU A 54 -4.554 -6.233 1.449 1.00 0.00 N ATOM 731 CA LEU A 54 -3.168 -6.636 1.286 1.00 0.00 C ATOM 732 C LEU A 54 -2.856 -7.781 2.252 1.00 0.00 C ATOM 733 O LEU A 54 -3.145 -7.687 3.444 1.00 0.00 O ATOM 734 CB LEU A 54 -2.238 -5.430 1.441 1.00 0.00 C ATOM 735 CG LEU A 54 -0.846 -5.573 0.823 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.926 -5.619 -0.705 1.00 0.00 C ATOM 737 CD2 LEU A 54 0.089 -4.466 1.314 1.00 0.00 C ATOM 0 H LEU A 54 -4.685 -5.331 1.907 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.998 -7.014 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.724 -4.562 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.122 -5.220 2.504 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.423 -6.522 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.077 -5.721 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.534 -6.470 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.379 -4.698 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.072 -4.591 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.319 -3.495 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.181 -4.522 2.399 1.00 0.00 H new ATOM 749 N CYS A 55 -2.271 -8.834 1.701 1.00 0.00 N ATOM 750 CA CYS A 55 -1.918 -9.996 2.499 1.00 0.00 C ATOM 751 C CYS A 55 -0.525 -10.465 2.074 1.00 0.00 C ATOM 752 O CYS A 55 0.147 -9.795 1.292 1.00 0.00 O ATOM 753 CB CYS A 55 -2.960 -11.109 2.371 1.00 0.00 C ATOM 754 SG CYS A 55 -3.734 -11.433 3.997 1.00 0.00 S ATOM 0 H CYS A 55 -2.033 -8.907 0.712 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.902 -9.724 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.723 -10.823 1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.489 -12.018 1.996 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.619 -12.378 3.876 1.00 0.00 H new ATOM 760 N VAL A 56 -0.134 -11.613 2.607 1.00 0.00 N ATOM 761 CA VAL A 56 1.166 -12.180 2.292 1.00 0.00 C ATOM 762 C VAL A 56 1.078 -12.942 0.969 1.00 0.00 C ATOM 763 O VAL A 56 0.074 -13.596 0.690 1.00 0.00 O ATOM 764 CB VAL A 56 1.652 -13.051 3.453 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.778 -13.985 3.003 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.094 -12.190 4.637 1.00 0.00 C ATOM 0 H VAL A 56 -0.695 -12.166 3.255 1.00 0.00 H new ATOM 0 HA VAL A 56 1.906 -11.390 2.163 1.00 0.00 H new ATOM 0 HB VAL A 56 0.816 -13.668 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.105 -14.593 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.415 -14.635 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.616 -13.393 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.435 -12.834 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.909 -11.535 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.254 -11.586 4.981 1.00 0.00 H new ATOM 776 N GLY A 57 2.143 -12.833 0.188 1.00 0.00 N ATOM 777 CA GLY A 57 2.199 -13.503 -1.100 1.00 0.00 C ATOM 778 C GLY A 57 1.615 -12.620 -2.204 1.00 0.00 C ATOM 779 O GLY A 57 0.957 -13.116 -3.118 1.00 0.00 O ATOM 0 H GLY A 57 2.974 -12.290 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.233 -13.754 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.647 -14.441 -1.050 1.00 0.00 H new ATOM 783 N ASP A 58 1.876 -11.327 -2.083 1.00 0.00 N ATOM 784 CA ASP A 58 1.384 -10.370 -3.059 1.00 0.00 C ATOM 785 C ASP A 58 2.569 -9.634 -3.687 1.00 0.00 C ATOM 786 O ASP A 58 3.627 -9.513 -3.071 1.00 0.00 O ATOM 787 CB ASP A 58 0.476 -9.329 -2.401 1.00 0.00 C ATOM 788 CG ASP A 58 -0.992 -9.739 -2.275 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.488 -10.375 -3.230 1.00 0.00 O ATOM 790 OD2 ASP A 58 -1.586 -9.408 -1.226 1.00 0.00 O ATOM 0 H ASP A 58 2.422 -10.920 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 58 0.818 -10.918 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.863 -9.109 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.531 -8.405 -2.976 1.00 0.00 H new ATOM 795 N LYS A 59 2.353 -9.161 -4.906 1.00 0.00 N ATOM 796 CA LYS A 59 3.390 -8.440 -5.624 1.00 0.00 C ATOM 797 C LYS A 59 2.823 -7.114 -6.136 1.00 0.00 C ATOM 798 O LYS A 59 2.025 -7.096 -7.072 1.00 0.00 O ATOM 799 CB LYS A 59 3.989 -9.318 -6.725 1.00 0.00 C ATOM 800 CG LYS A 59 4.543 -8.464 -7.867 1.00 0.00 C ATOM 801 CD LYS A 59 5.028 -9.342 -9.023 1.00 0.00 C ATOM 802 CE LYS A 59 5.451 -8.488 -10.220 1.00 0.00 C ATOM 803 NZ LYS A 59 4.752 -8.934 -11.446 1.00 0.00 N ATOM 0 H LYS A 59 1.475 -9.263 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 59 4.217 -8.197 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.785 -9.936 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.227 -9.996 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.771 -7.782 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.367 -7.851 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.868 -9.953 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.234 -10.026 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.224 -7.440 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.529 -8.559 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.050 -8.345 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.990 -9.928 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.725 -8.843 -11.312 1.00 0.00 H new ATOM 817 N ILE A 60 3.256 -6.037 -5.499 1.00 0.00 N ATOM 818 CA ILE A 60 2.802 -4.710 -5.878 1.00 0.00 C ATOM 819 C ILE A 60 3.455 -4.311 -7.202 1.00 0.00 C ATOM 820 O ILE A 60 4.675 -4.174 -7.281 1.00 0.00 O ATOM 821 CB ILE A 60 3.052 -3.714 -4.744 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.265 -4.100 -3.490 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.748 -2.283 -5.193 1.00 0.00 C ATOM 824 CD1 ILE A 60 3.107 -3.898 -2.229 1.00 0.00 C ATOM 0 H ILE A 60 3.917 -6.056 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 60 1.724 -4.708 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 60 4.110 -3.752 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.358 -3.498 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.952 -5.142 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.934 -1.595 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.389 -2.022 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.704 -2.211 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.523 -4.180 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.001 -4.519 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.398 -2.851 -2.150 1.00 0.00 H new ATOM 836 N THR A 61 2.613 -4.134 -8.211 1.00 0.00 N ATOM 837 CA THR A 61 3.094 -3.753 -9.528 1.00 0.00 C ATOM 838 C THR A 61 2.895 -2.253 -9.755 1.00 0.00 C ATOM 839 O THR A 61 3.676 -1.620 -10.463 1.00 0.00 O ATOM 840 CB THR A 61 2.378 -4.624 -10.562 1.00 0.00 C ATOM 841 OG1 THR A 61 1.007 -4.256 -10.437 1.00 0.00 O ATOM 842 CG2 THR A 61 2.400 -6.109 -10.193 1.00 0.00 C ATOM 0 H THR A 61 1.602 -4.247 -8.142 1.00 0.00 H new ATOM 0 HA THR A 61 4.166 -3.925 -9.623 1.00 0.00 H new ATOM 0 HB THR A 61 2.844 -4.485 -11.538 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.589 -4.789 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.879 -6.682 -10.960 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.432 -6.451 -10.123 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.905 -6.253 -9.233 1.00 0.00 H new ATOM 850 N GLU A 62 1.845 -1.728 -9.141 1.00 0.00 N ATOM 851 CA GLU A 62 1.533 -0.315 -9.267 1.00 0.00 C ATOM 852 C GLU A 62 0.978 0.226 -7.948 1.00 0.00 C ATOM 853 O GLU A 62 0.403 -0.522 -7.159 1.00 0.00 O ATOM 854 CB GLU A 62 0.553 -0.070 -10.416 1.00 0.00 C ATOM 855 CG GLU A 62 -0.048 1.335 -10.334 1.00 0.00 C ATOM 856 CD GLU A 62 -0.990 1.598 -11.510 1.00 0.00 C ATOM 857 OE1 GLU A 62 -0.467 1.732 -12.638 1.00 0.00 O ATOM 858 OE2 GLU A 62 -2.212 1.658 -11.256 1.00 0.00 O ATOM 0 H GLU A 62 1.199 -2.256 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 62 2.454 0.221 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.066 -0.195 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.244 -0.813 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.592 1.448 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.751 2.076 -10.331 1.00 0.00 H new ATOM 865 N VAL A 63 1.169 1.522 -7.749 1.00 0.00 N ATOM 866 CA VAL A 63 0.694 2.172 -6.540 1.00 0.00 C ATOM 867 C VAL A 63 0.396 3.643 -6.839 1.00 0.00 C ATOM 868 O VAL A 63 1.269 4.374 -7.305 1.00 0.00 O ATOM 869 CB VAL A 63 1.712 1.986 -5.412 1.00 0.00 C ATOM 870 CG1 VAL A 63 1.284 2.748 -4.156 1.00 0.00 C ATOM 871 CG2 VAL A 63 1.925 0.502 -5.106 1.00 0.00 C ATOM 0 H VAL A 63 1.647 2.140 -8.405 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.236 1.715 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 63 2.663 2.400 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.024 2.599 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.206 3.811 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.316 2.378 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.653 0.397 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.979 0.054 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.295 -0.004 -5.998 1.00 0.00 H new ATOM 881 N ASN A 64 -0.839 4.032 -6.559 1.00 0.00 N ATOM 882 CA ASN A 64 -1.262 5.402 -6.792 1.00 0.00 C ATOM 883 C ASN A 64 -1.210 5.699 -8.292 1.00 0.00 C ATOM 884 O ASN A 64 -1.177 6.860 -8.698 1.00 0.00 O ATOM 885 CB ASN A 64 -0.338 6.393 -6.081 1.00 0.00 C ATOM 886 CG ASN A 64 -1.146 7.450 -5.325 1.00 0.00 C ATOM 887 OD1 ASN A 64 -1.585 8.445 -5.876 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.317 7.178 -4.034 1.00 0.00 N ATOM 0 H ASN A 64 -1.560 3.422 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.275 5.512 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.309 5.858 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.311 6.879 -6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.843 7.821 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.922 6.326 -3.636 1.00 0.00 H new ATOM 895 N GLY A 65 -1.203 4.630 -9.075 1.00 0.00 N ATOM 896 CA GLY A 65 -1.155 4.762 -10.521 1.00 0.00 C ATOM 897 C GLY A 65 0.270 4.568 -11.042 1.00 0.00 C ATOM 898 O GLY A 65 0.470 4.023 -12.126 1.00 0.00 O ATOM 0 H GLY A 65 -1.230 3.669 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.817 4.027 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.522 5.746 -10.812 1.00 0.00 H new ATOM 902 N LEU A 66 1.225 5.026 -10.245 1.00 0.00 N ATOM 903 CA LEU A 66 2.626 4.910 -10.612 1.00 0.00 C ATOM 904 C LEU A 66 3.027 3.434 -10.617 1.00 0.00 C ATOM 905 O LEU A 66 2.755 2.710 -9.660 1.00 0.00 O ATOM 906 CB LEU A 66 3.493 5.780 -9.700 1.00 0.00 C ATOM 907 CG LEU A 66 3.296 7.292 -9.830 1.00 0.00 C ATOM 908 CD1 LEU A 66 4.611 8.038 -9.594 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.669 7.649 -11.178 1.00 0.00 C ATOM 0 H LEU A 66 1.056 5.478 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 66 2.788 5.288 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.297 5.496 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.540 5.551 -9.901 1.00 0.00 H new ATOM 0 HG LEU A 66 2.599 7.614 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.444 9.111 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.979 7.818 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.348 7.717 -10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.540 8.729 -11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.321 7.311 -11.983 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.698 7.161 -11.268 1.00 0.00 H new ATOM 921 N SER A 67 3.667 3.031 -11.705 1.00 0.00 N ATOM 922 CA SER A 67 4.109 1.654 -11.847 1.00 0.00 C ATOM 923 C SER A 67 5.467 1.467 -11.168 1.00 0.00 C ATOM 924 O SER A 67 6.386 2.257 -11.383 1.00 0.00 O ATOM 925 CB SER A 67 4.191 1.251 -13.320 1.00 0.00 C ATOM 926 OG SER A 67 3.018 0.567 -13.753 1.00 0.00 O ATOM 0 H SER A 67 3.890 3.634 -12.497 1.00 0.00 H new ATOM 0 HA SER A 67 3.377 1.008 -11.362 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.338 2.141 -13.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.061 0.612 -13.473 1.00 0.00 H new ATOM 0 HG SER A 67 3.109 0.328 -14.699 1.00 0.00 H new ATOM 932 N LEU A 68 5.552 0.418 -10.364 1.00 0.00 N ATOM 933 CA LEU A 68 6.783 0.118 -9.653 1.00 0.00 C ATOM 934 C LEU A 68 7.358 -1.202 -10.172 1.00 0.00 C ATOM 935 O LEU A 68 7.773 -2.053 -9.387 1.00 0.00 O ATOM 936 CB LEU A 68 6.547 0.134 -8.141 1.00 0.00 C ATOM 937 CG LEU A 68 5.542 1.168 -7.630 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.425 1.113 -6.106 1.00 0.00 C ATOM 939 CD2 LEU A 68 5.898 2.571 -8.128 1.00 0.00 C ATOM 0 H LEU A 68 4.788 -0.235 -10.189 1.00 0.00 H new ATOM 0 HA LEU A 68 7.530 0.889 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.207 -0.856 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.502 0.309 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 68 4.561 0.921 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.704 1.858 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.090 0.121 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.397 1.320 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.168 3.287 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.891 2.843 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.889 2.584 -9.218 1.00 0.00 H new ATOM 951 N GLU A 69 7.363 -1.330 -11.490 1.00 0.00 N ATOM 952 CA GLU A 69 7.880 -2.532 -12.123 1.00 0.00 C ATOM 953 C GLU A 69 9.405 -2.461 -12.231 1.00 0.00 C ATOM 954 O GLU A 69 10.036 -3.375 -12.759 1.00 0.00 O ATOM 955 CB GLU A 69 7.242 -2.745 -13.497 1.00 0.00 C ATOM 956 CG GLU A 69 6.136 -3.800 -13.430 1.00 0.00 C ATOM 957 CD GLU A 69 6.159 -4.698 -14.669 1.00 0.00 C ATOM 958 OE1 GLU A 69 7.141 -5.461 -14.798 1.00 0.00 O ATOM 959 OE2 GLU A 69 5.195 -4.602 -15.458 1.00 0.00 O ATOM 0 H GLU A 69 7.017 -0.622 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 69 7.619 -3.388 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.830 -1.804 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.004 -3.057 -14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.262 -4.408 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.166 -3.310 -13.349 1.00 0.00 H new ATOM 966 N SER A 70 9.952 -1.367 -11.722 1.00 0.00 N ATOM 967 CA SER A 70 11.390 -1.165 -11.754 1.00 0.00 C ATOM 968 C SER A 70 11.748 0.162 -11.082 1.00 0.00 C ATOM 969 O SER A 70 12.207 1.092 -11.743 1.00 0.00 O ATOM 970 CB SER A 70 11.918 -1.193 -13.190 1.00 0.00 C ATOM 971 OG SER A 70 11.236 -0.263 -14.027 1.00 0.00 O ATOM 0 H SER A 70 9.425 -0.611 -11.285 1.00 0.00 H new ATOM 0 HA SER A 70 11.862 -1.980 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.984 -0.966 -13.189 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.806 -2.198 -13.598 1.00 0.00 H new ATOM 0 HG SER A 70 11.343 0.642 -13.666 1.00 0.00 H new ATOM 977 N THR A 71 11.524 0.207 -9.777 1.00 0.00 N ATOM 978 CA THR A 71 11.817 1.405 -9.009 1.00 0.00 C ATOM 979 C THR A 71 12.396 1.033 -7.642 1.00 0.00 C ATOM 980 O THR A 71 12.127 -0.049 -7.123 1.00 0.00 O ATOM 981 CB THR A 71 10.535 2.235 -8.920 1.00 0.00 C ATOM 982 OG1 THR A 71 10.999 3.576 -8.791 1.00 0.00 O ATOM 983 CG2 THR A 71 9.761 1.982 -7.625 1.00 0.00 C ATOM 0 H THR A 71 11.143 -0.567 -9.232 1.00 0.00 H new ATOM 0 HA THR A 71 12.580 2.011 -9.497 1.00 0.00 H new ATOM 0 HB THR A 71 9.896 2.008 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.232 4.183 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.860 2.596 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.483 0.930 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.387 2.240 -6.771 1.00 0.00 H new ATOM 991 N THR A 72 13.181 1.952 -7.098 1.00 0.00 N ATOM 992 CA THR A 72 13.799 1.734 -5.801 1.00 0.00 C ATOM 993 C THR A 72 12.730 1.520 -4.729 1.00 0.00 C ATOM 994 O THR A 72 11.700 2.193 -4.732 1.00 0.00 O ATOM 995 CB THR A 72 14.721 2.921 -5.512 1.00 0.00 C ATOM 996 OG1 THR A 72 15.071 2.762 -4.140 1.00 0.00 O ATOM 997 CG2 THR A 72 13.982 4.260 -5.556 1.00 0.00 C ATOM 0 H THR A 72 13.403 2.848 -7.531 1.00 0.00 H new ATOM 0 HA THR A 72 14.402 0.826 -5.798 1.00 0.00 H new ATOM 0 HB THR A 72 15.536 2.933 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.670 3.489 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.681 5.069 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.549 4.404 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.188 4.262 -4.809 1.00 0.00 H new ATOM 1005 N MET A 73 13.011 0.582 -3.837 1.00 0.00 N ATOM 1006 CA MET A 73 12.086 0.271 -2.761 1.00 0.00 C ATOM 1007 C MET A 73 11.709 1.532 -1.980 1.00 0.00 C ATOM 1008 O MET A 73 10.532 1.871 -1.871 1.00 0.00 O ATOM 1009 CB MET A 73 12.727 -0.744 -1.812 1.00 0.00 C ATOM 1010 CG MET A 73 11.763 -1.132 -0.690 1.00 0.00 C ATOM 1011 SD MET A 73 10.296 -1.882 -1.377 1.00 0.00 S ATOM 1012 CE MET A 73 10.504 -3.557 -0.797 1.00 0.00 C ATOM 0 H MET A 73 13.867 0.027 -3.837 1.00 0.00 H new ATOM 0 HA MET A 73 11.180 -0.149 -3.197 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.019 -1.634 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.637 -0.323 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.250 -1.826 -0.005 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.493 -0.249 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.547 -4.077 -0.835 1.00 0.00 H new ATOM 0 HE2 MET A 73 11.224 -4.075 -1.431 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.869 -3.544 0.230 1.00 0.00 H new ATOM 1022 N GLY A 74 12.731 2.192 -1.456 1.00 0.00 N ATOM 1023 CA GLY A 74 12.523 3.408 -0.689 1.00 0.00 C ATOM 1024 C GLY A 74 11.405 4.257 -1.299 1.00 0.00 C ATOM 1025 O GLY A 74 10.359 4.449 -0.682 1.00 0.00 O ATOM 0 H GLY A 74 13.706 1.907 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.271 3.154 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.447 3.985 -0.658 1.00 0.00 H new ATOM 1029 N SER A 75 11.666 4.742 -2.505 1.00 0.00 N ATOM 1030 CA SER A 75 10.695 5.566 -3.205 1.00 0.00 C ATOM 1031 C SER A 75 9.285 5.013 -2.988 1.00 0.00 C ATOM 1032 O SER A 75 8.440 5.676 -2.389 1.00 0.00 O ATOM 1033 CB SER A 75 11.011 5.638 -4.701 1.00 0.00 C ATOM 1034 OG SER A 75 11.890 6.716 -5.009 1.00 0.00 O ATOM 0 H SER A 75 12.535 4.580 -3.014 1.00 0.00 H new ATOM 0 HA SER A 75 10.749 6.576 -2.799 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.462 4.699 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.084 5.754 -5.262 1.00 0.00 H new ATOM 0 HG SER A 75 12.069 6.727 -5.972 1.00 0.00 H new ATOM 1040 N ALA A 76 9.075 3.803 -3.486 1.00 0.00 N ATOM 1041 CA ALA A 76 7.782 3.154 -3.353 1.00 0.00 C ATOM 1042 C ALA A 76 7.250 3.371 -1.935 1.00 0.00 C ATOM 1043 O ALA A 76 6.105 3.782 -1.754 1.00 0.00 O ATOM 1044 CB ALA A 76 7.917 1.671 -3.704 1.00 0.00 C ATOM 0 H ALA A 76 9.778 3.256 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 76 7.061 3.589 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.947 1.184 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.270 1.571 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.631 1.201 -3.028 1.00 0.00 H new ATOM 1050 N VAL A 77 8.107 3.085 -0.965 1.00 0.00 N ATOM 1051 CA VAL A 77 7.737 3.244 0.431 1.00 0.00 C ATOM 1052 C VAL A 77 7.414 4.715 0.704 1.00 0.00 C ATOM 1053 O VAL A 77 6.320 5.039 1.162 1.00 0.00 O ATOM 1054 CB VAL A 77 8.847 2.699 1.331 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.489 2.871 2.809 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.147 1.234 1.007 1.00 0.00 C ATOM 0 H VAL A 77 9.056 2.744 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 77 6.840 2.667 0.657 1.00 0.00 H new ATOM 0 HB VAL A 77 9.750 3.277 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.295 2.475 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.349 3.929 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.567 2.331 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.940 0.872 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.249 0.636 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.467 1.149 -0.032 1.00 0.00 H new ATOM 1066 N LYS A 78 8.387 5.566 0.411 1.00 0.00 N ATOM 1067 CA LYS A 78 8.220 6.994 0.620 1.00 0.00 C ATOM 1068 C LYS A 78 6.802 7.402 0.214 1.00 0.00 C ATOM 1069 O LYS A 78 6.243 8.348 0.765 1.00 0.00 O ATOM 1070 CB LYS A 78 9.316 7.773 -0.109 1.00 0.00 C ATOM 1071 CG LYS A 78 10.152 8.594 0.876 1.00 0.00 C ATOM 1072 CD LYS A 78 10.699 9.859 0.210 1.00 0.00 C ATOM 1073 CE LYS A 78 11.840 10.461 1.031 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.932 10.920 0.144 1.00 0.00 N ATOM 0 H LYS A 78 9.293 5.294 0.031 1.00 0.00 H new ATOM 0 HA LYS A 78 8.333 7.241 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.961 7.081 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.866 8.434 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.542 8.867 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.978 7.989 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.054 9.622 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.899 10.591 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.468 11.298 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.221 9.719 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.698 11.326 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.298 10.114 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.568 11.643 -0.509 1.00 0.00 H new ATOM 1088 N VAL A 79 6.261 6.667 -0.747 1.00 0.00 N ATOM 1089 CA VAL A 79 4.920 6.940 -1.233 1.00 0.00 C ATOM 1090 C VAL A 79 3.911 6.133 -0.413 1.00 0.00 C ATOM 1091 O VAL A 79 2.887 6.664 0.014 1.00 0.00 O ATOM 1092 CB VAL A 79 4.838 6.652 -2.733 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.868 5.503 -3.019 1.00 0.00 C ATOM 1094 CG2 VAL A 79 4.444 7.908 -3.512 1.00 0.00 C ATOM 0 H VAL A 79 6.728 5.882 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 79 4.675 7.994 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 79 5.829 6.346 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.828 5.319 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.210 4.603 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.874 5.768 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.393 7.675 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.470 8.258 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.188 8.687 -3.346 1.00 0.00 H new ATOM 1104 N LEU A 80 4.235 4.863 -0.219 1.00 0.00 N ATOM 1105 CA LEU A 80 3.370 3.978 0.542 1.00 0.00 C ATOM 1106 C LEU A 80 3.178 4.545 1.950 1.00 0.00 C ATOM 1107 O LEU A 80 2.262 4.143 2.665 1.00 0.00 O ATOM 1108 CB LEU A 80 3.917 2.549 0.525 1.00 0.00 C ATOM 1109 CG LEU A 80 4.030 1.891 -0.852 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.275 1.006 -0.936 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.754 1.119 -1.196 1.00 0.00 C ATOM 0 H LEU A 80 5.085 4.426 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 80 2.383 3.923 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.905 2.554 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.276 1.928 1.151 1.00 0.00 H new ATOM 0 HG LEU A 80 4.143 2.677 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.331 0.550 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.165 1.612 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.217 0.224 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.860 0.661 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.586 0.342 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.906 1.803 -1.204 1.00 0.00 H new ATOM 1123 N THR A 81 4.056 5.472 2.305 1.00 0.00 N ATOM 1124 CA THR A 81 3.994 6.099 3.614 1.00 0.00 C ATOM 1125 C THR A 81 3.505 7.543 3.491 1.00 0.00 C ATOM 1126 O THR A 81 3.478 8.279 4.476 1.00 0.00 O ATOM 1127 CB THR A 81 5.375 5.978 4.262 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.197 6.529 5.564 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.411 6.895 3.608 1.00 0.00 C ATOM 0 H THR A 81 4.814 5.804 1.709 1.00 0.00 H new ATOM 0 HA THR A 81 3.272 5.598 4.259 1.00 0.00 H new ATOM 0 HB THR A 81 5.715 4.944 4.201 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.459 7.173 5.548 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.373 6.770 4.105 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.511 6.637 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.088 7.932 3.699 1.00 0.00 H new ATOM 1137 N SER A 82 3.129 7.905 2.273 1.00 0.00 N ATOM 1138 CA SER A 82 2.642 9.248 2.009 1.00 0.00 C ATOM 1139 C SER A 82 1.315 9.184 1.250 1.00 0.00 C ATOM 1140 O SER A 82 1.294 9.246 0.022 1.00 0.00 O ATOM 1141 CB SER A 82 3.668 10.060 1.216 1.00 0.00 C ATOM 1142 OG SER A 82 3.578 11.454 1.496 1.00 0.00 O ATOM 0 H SER A 82 3.152 7.292 1.458 1.00 0.00 H new ATOM 0 HA SER A 82 2.483 9.748 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.671 9.707 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.516 9.894 0.150 1.00 0.00 H new ATOM 0 HG SER A 82 4.250 11.937 0.972 1.00 0.00 H new ATOM 1148 N SER A 83 0.239 9.059 2.013 1.00 0.00 N ATOM 1149 CA SER A 83 -1.089 8.986 1.429 1.00 0.00 C ATOM 1150 C SER A 83 -2.064 8.354 2.423 1.00 0.00 C ATOM 1151 O SER A 83 -1.724 7.387 3.104 1.00 0.00 O ATOM 1152 CB SER A 83 -1.072 8.189 0.123 1.00 0.00 C ATOM 1153 OG SER A 83 -2.330 7.576 -0.145 1.00 0.00 O ATOM 0 H SER A 83 0.260 9.006 3.031 1.00 0.00 H new ATOM 0 HA SER A 83 -1.419 10.000 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.808 8.851 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.299 7.422 0.176 1.00 0.00 H new ATOM 0 HG SER A 83 -2.288 7.105 -1.003 1.00 0.00 H new ATOM 1159 N SER A 84 -3.259 8.926 2.477 1.00 0.00 N ATOM 1160 CA SER A 84 -4.286 8.430 3.377 1.00 0.00 C ATOM 1161 C SER A 84 -5.122 7.357 2.677 1.00 0.00 C ATOM 1162 O SER A 84 -6.017 6.770 3.283 1.00 0.00 O ATOM 1163 CB SER A 84 -5.185 9.568 3.866 1.00 0.00 C ATOM 1164 OG SER A 84 -6.129 9.123 4.835 1.00 0.00 O ATOM 0 H SER A 84 -3.538 9.728 1.912 1.00 0.00 H new ATOM 0 HA SER A 84 -3.796 7.990 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.569 10.358 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.714 10.003 3.018 1.00 0.00 H new ATOM 0 HG SER A 84 -6.336 8.178 4.680 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.799 7.132 1.412 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.508 6.139 0.624 1.00 0.00 C ATOM 1172 C ARG A 85 -4.697 5.769 -0.619 1.00 0.00 C ATOM 1173 O ARG A 85 -4.864 6.375 -1.677 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.882 6.657 0.193 1.00 0.00 C ATOM 1175 CG ARG A 85 -6.804 8.124 -0.236 1.00 0.00 C ATOM 1176 CD ARG A 85 -7.981 8.493 -1.142 1.00 0.00 C ATOM 1177 NE ARG A 85 -7.768 9.835 -1.728 1.00 0.00 N ATOM 1178 CZ ARG A 85 -8.531 10.363 -2.694 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -9.563 9.666 -3.188 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -8.263 11.588 -3.165 1.00 0.00 N ATOM 0 H ARG A 85 -4.055 7.621 0.913 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.644 5.256 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.260 6.053 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.589 6.552 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.804 8.765 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.866 8.304 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.085 7.753 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.909 8.480 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.991 10.393 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.767 8.734 -2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.144 10.068 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.478 12.119 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.844 11.990 -3.901 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.836 4.776 -0.451 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.998 4.319 -1.546 1.00 0.00 C ATOM 1196 C LEU A 86 -3.778 3.311 -2.393 1.00 0.00 C ATOM 1197 O LEU A 86 -4.574 2.536 -1.865 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.669 3.778 -1.015 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.748 4.800 -0.345 1.00 0.00 C ATOM 1200 CD1 LEU A 86 0.041 4.160 0.798 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.169 5.467 -1.372 1.00 0.00 C ATOM 0 H LEU A 86 -3.701 4.275 0.427 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.738 5.152 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.883 2.986 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.129 3.320 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.367 5.584 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.688 4.908 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.651 3.771 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.650 3.344 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.813 6.189 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.783 4.709 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.435 5.979 -2.121 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.522 3.354 -3.692 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.190 2.454 -4.616 1.00 0.00 C ATOM 1215 C HIS A 87 -3.153 1.572 -5.314 1.00 0.00 C ATOM 1216 O HIS A 87 -2.640 1.930 -6.374 1.00 0.00 O ATOM 1217 CB HIS A 87 -5.062 3.235 -5.601 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.545 3.090 -5.357 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.372 4.169 -5.095 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.341 1.982 -5.338 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.607 3.719 -4.928 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.586 2.363 -5.078 1.00 0.00 N ATOM 0 H HIS A 87 -2.861 3.998 -4.126 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.864 1.797 -4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.797 4.291 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.836 2.901 -6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.014 0.967 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.478 4.320 -4.711 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.393 1.744 -5.003 1.00 0.00 H new ATOM 1230 N MET A 88 -2.874 0.435 -4.692 1.00 0.00 N ATOM 1231 CA MET A 88 -1.908 -0.500 -5.240 1.00 0.00 C ATOM 1232 C MET A 88 -2.608 -1.657 -5.956 1.00 0.00 C ATOM 1233 O MET A 88 -3.710 -2.050 -5.576 1.00 0.00 O ATOM 1234 CB MET A 88 -1.035 -1.053 -4.112 1.00 0.00 C ATOM 1235 CG MET A 88 -0.480 0.079 -3.244 1.00 0.00 C ATOM 1236 SD MET A 88 -1.203 0.008 -1.613 1.00 0.00 S ATOM 1237 CE MET A 88 -0.053 -1.097 -0.812 1.00 0.00 C ATOM 0 H MET A 88 -3.301 0.141 -3.813 1.00 0.00 H new ATOM 0 HA MET A 88 -1.290 0.030 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.620 -1.736 -3.496 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.212 -1.630 -4.534 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.605 -0.004 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.697 1.042 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.040 -0.825 0.239 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.417 -2.121 -0.891 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.921 -1.020 -1.295 1.00 0.00 H new ATOM 1247 N MET A 89 -1.941 -2.169 -6.979 1.00 0.00 N ATOM 1248 CA MET A 89 -2.486 -3.272 -7.752 1.00 0.00 C ATOM 1249 C MET A 89 -1.463 -4.402 -7.891 1.00 0.00 C ATOM 1250 O MET A 89 -0.383 -4.201 -8.443 1.00 0.00 O ATOM 1251 CB MET A 89 -2.888 -2.774 -9.141 1.00 0.00 C ATOM 1252 CG MET A 89 -3.514 -1.380 -9.063 1.00 0.00 C ATOM 1253 SD MET A 89 -5.067 -1.358 -9.942 1.00 0.00 S ATOM 1254 CE MET A 89 -6.050 -2.383 -8.861 1.00 0.00 C ATOM 0 H MET A 89 -1.027 -1.840 -7.291 1.00 0.00 H new ATOM 0 HA MET A 89 -3.360 -3.660 -7.229 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.012 -2.748 -9.789 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.596 -3.470 -9.590 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.672 -1.101 -8.021 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.834 -0.643 -9.490 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.058 -2.475 -9.264 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.597 -3.372 -8.786 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.095 -1.929 -7.871 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.841 -5.565 -7.381 1.00 0.00 N ATOM 1265 CA VAL A 90 -0.971 -6.727 -7.442 1.00 0.00 C ATOM 1266 C VAL A 90 -1.450 -7.660 -8.555 1.00 0.00 C ATOM 1267 O VAL A 90 -2.630 -7.665 -8.901 1.00 0.00 O ATOM 1268 CB VAL A 90 -0.912 -7.409 -6.074 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.304 -6.479 -5.022 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.299 -7.892 -5.642 1.00 0.00 C ATOM 0 H VAL A 90 -2.738 -5.727 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 90 0.049 -6.428 -7.685 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.265 -8.282 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.274 -6.989 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.708 -6.206 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.913 -5.579 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.229 -8.373 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.977 -7.041 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.679 -8.606 -6.372 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.510 -8.429 -9.086 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.821 -9.364 -10.153 1.00 0.00 C ATOM 1282 C ARG A 91 -0.693 -10.804 -9.651 1.00 0.00 C ATOM 1283 O ARG A 91 0.409 -11.269 -9.363 1.00 0.00 O ATOM 1284 CB ARG A 91 0.110 -9.164 -11.350 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.357 -7.995 -12.219 1.00 0.00 C ATOM 1286 CD ARG A 91 0.444 -7.924 -13.520 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.203 -6.984 -14.463 1.00 0.00 N ATOM 1288 CZ ARG A 91 -1.270 -7.289 -15.214 1.00 0.00 C ATOM 1289 NH1 ARG A 91 -1.816 -8.511 -15.138 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -1.790 -6.373 -16.042 1.00 0.00 N ATOM 0 H ARG A 91 0.468 -8.423 -8.796 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.847 -9.176 -10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.125 -8.978 -10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.142 -10.075 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.417 -8.107 -12.446 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.246 -7.061 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.463 -7.599 -13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.511 -8.915 -13.970 1.00 0.00 H new ATOM 0 HE ARG A 91 0.188 -6.046 -14.546 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.419 -9.209 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.628 -8.743 -15.710 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.374 -5.444 -16.101 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.602 -6.605 -16.614 1.00 0.00 H new ATOM 1304 N ARG A 92 -1.835 -11.469 -9.561 1.00 0.00 N ATOM 1305 CA ARG A 92 -1.865 -12.846 -9.099 1.00 0.00 C ATOM 1306 C ARG A 92 -2.904 -13.648 -9.885 1.00 0.00 C ATOM 1307 O ARG A 92 -4.042 -13.209 -10.042 1.00 0.00 O ATOM 1308 CB ARG A 92 -2.196 -12.920 -7.607 1.00 0.00 C ATOM 1309 CG ARG A 92 -1.175 -13.779 -6.860 1.00 0.00 C ATOM 1310 CD ARG A 92 -1.866 -14.707 -5.858 1.00 0.00 C ATOM 1311 NE ARG A 92 -1.582 -14.261 -4.476 1.00 0.00 N ATOM 1312 CZ ARG A 92 -2.217 -13.250 -3.867 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -3.176 -12.574 -4.515 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -1.894 -12.915 -2.611 1.00 0.00 N ATOM 0 H ARG A 92 -2.747 -11.080 -9.800 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.874 -13.271 -9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.210 -11.916 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.194 -13.336 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.601 -14.371 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.467 -13.136 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.942 -14.710 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.518 -15.730 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.857 -14.754 -3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.422 -12.829 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.659 -11.805 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.164 -13.429 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.378 -12.145 -2.148 1.00 0.00 H new ATOM 1328 N MET A 93 -2.475 -14.809 -10.357 1.00 0.00 N ATOM 1329 CA MET A 93 -3.355 -15.676 -11.123 1.00 0.00 C ATOM 1330 C MET A 93 -4.419 -16.309 -10.225 1.00 0.00 C ATOM 1331 O MET A 93 -4.383 -16.148 -9.006 1.00 0.00 O ATOM 1332 CB MET A 93 -2.530 -16.778 -11.792 1.00 0.00 C ATOM 1333 CG MET A 93 -2.439 -16.554 -13.303 1.00 0.00 C ATOM 1334 SD MET A 93 -3.832 -17.316 -14.118 1.00 0.00 S ATOM 1335 CE MET A 93 -3.539 -19.026 -13.699 1.00 0.00 C ATOM 0 H MET A 93 -1.530 -15.170 -10.224 1.00 0.00 H new ATOM 0 HA MET A 93 -3.857 -15.075 -11.881 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.528 -16.799 -11.363 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.983 -17.749 -11.591 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.420 -15.486 -13.520 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.509 -16.974 -13.686 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.849 -19.662 -14.528 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.477 -19.176 -13.504 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.112 -19.286 -12.809 1.00 0.00 H new ATOM 1345 N GLY A 94 -5.341 -17.015 -10.862 1.00 0.00 N ATOM 1346 CA GLY A 94 -6.414 -17.673 -10.136 1.00 0.00 C ATOM 1347 C GLY A 94 -6.839 -18.966 -10.836 1.00 0.00 C ATOM 1348 O GLY A 94 -7.428 -18.926 -11.915 1.00 0.00 O ATOM 0 H GLY A 94 -5.367 -17.146 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.087 -17.896 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.269 -17.001 -10.056 1.00 0.00 H new ATOM 1352 N SER A 95 -6.522 -20.081 -10.195 1.00 0.00 N ATOM 1353 CA SER A 95 -6.863 -21.382 -10.743 1.00 0.00 C ATOM 1354 C SER A 95 -7.556 -22.234 -9.677 1.00 0.00 C ATOM 1355 O SER A 95 -7.577 -21.868 -8.502 1.00 0.00 O ATOM 1356 CB SER A 95 -5.620 -22.101 -11.271 1.00 0.00 C ATOM 1357 OG SER A 95 -5.482 -21.960 -12.682 1.00 0.00 O ATOM 0 H SER A 95 -6.032 -20.110 -9.301 1.00 0.00 H new ATOM 0 HA SER A 95 -7.545 -21.232 -11.580 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.733 -21.702 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.677 -23.159 -11.016 1.00 0.00 H new ATOM 0 HG SER A 95 -4.676 -22.431 -12.981 1.00 0.00 H new ATOM 1363 N GLY A 96 -8.105 -23.354 -10.124 1.00 0.00 N ATOM 1364 CA GLY A 96 -8.796 -24.260 -9.223 1.00 0.00 C ATOM 1365 C GLY A 96 -10.200 -23.746 -8.899 1.00 0.00 C ATOM 1366 O GLY A 96 -10.466 -22.549 -8.999 1.00 0.00 O ATOM 0 H GLY A 96 -8.085 -23.654 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.863 -25.249 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.223 -24.370 -8.302 1.00 0.00 H new ATOM 1370 N PRO A 97 -11.086 -24.701 -8.506 1.00 0.00 N ATOM 1371 CA PRO A 97 -12.456 -24.356 -8.166 1.00 0.00 C ATOM 1372 C PRO A 97 -12.527 -23.678 -6.797 1.00 0.00 C ATOM 1373 O PRO A 97 -11.544 -23.657 -6.058 1.00 0.00 O ATOM 1374 CB PRO A 97 -13.216 -25.672 -8.217 1.00 0.00 C ATOM 1375 CG PRO A 97 -12.164 -26.765 -8.126 1.00 0.00 C ATOM 1376 CD PRO A 97 -10.807 -26.128 -8.375 1.00 0.00 C ATOM 0 HA PRO A 97 -12.891 -23.632 -8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.927 -25.745 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.788 -25.757 -9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.189 -27.238 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.360 -27.546 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.121 -26.323 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.343 -26.525 -9.278 1.00 0.00 H new ATOM 1384 N SER A 98 -13.700 -23.138 -6.499 1.00 0.00 N ATOM 1385 CA SER A 98 -13.913 -22.460 -5.232 1.00 0.00 C ATOM 1386 C SER A 98 -15.170 -23.005 -4.552 1.00 0.00 C ATOM 1387 O SER A 98 -15.107 -23.503 -3.429 1.00 0.00 O ATOM 1388 CB SER A 98 -14.029 -20.948 -5.429 1.00 0.00 C ATOM 1389 OG SER A 98 -13.565 -20.224 -4.292 1.00 0.00 O ATOM 0 H SER A 98 -14.513 -23.157 -7.114 1.00 0.00 H new ATOM 0 HA SER A 98 -13.051 -22.650 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.455 -20.652 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.069 -20.687 -5.626 1.00 0.00 H new ATOM 0 HG SER A 98 -13.654 -19.262 -4.458 1.00 0.00 H new ATOM 1395 N SER A 99 -16.284 -22.892 -5.261 1.00 0.00 N ATOM 1396 CA SER A 99 -17.554 -23.366 -4.739 1.00 0.00 C ATOM 1397 C SER A 99 -17.890 -22.639 -3.436 1.00 0.00 C ATOM 1398 O SER A 99 -17.193 -22.798 -2.435 1.00 0.00 O ATOM 1399 CB SER A 99 -17.525 -24.879 -4.510 1.00 0.00 C ATOM 1400 OG SER A 99 -18.835 -25.425 -4.385 1.00 0.00 O ATOM 0 H SER A 99 -16.333 -22.479 -6.192 1.00 0.00 H new ATOM 0 HA SER A 99 -18.327 -23.151 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 99 -17.009 -25.361 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 99 -16.953 -25.098 -3.608 1.00 0.00 H new ATOM 0 HG SER A 99 -18.774 -26.393 -4.242 1.00 0.00 H new ATOM 1406 N GLY A 100 -18.958 -21.856 -3.490 1.00 0.00 N ATOM 1407 CA GLY A 100 -19.394 -21.104 -2.326 1.00 0.00 C ATOM 1408 C GLY A 100 -20.920 -21.005 -2.278 1.00 0.00 C ATOM 1409 O GLY A 100 -21.467 -19.970 -1.901 1.00 0.00 O ATOM 0 H GLY A 100 -19.534 -21.726 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -19.028 -21.586 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.962 -20.104 -2.352 1.00 0.00 H new TER 1413 GLY A 100