USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 84 GLN : amide:sc= 0.889 K(o=2,f=0.33) USER MOD Set 1.2: A 85 GLN : amide:sc= 1.11 K(o=2,f=-3.2!) USER MOD Set 2.1: A 39 MET CE :methyl 175:sc=-0.00596 (180deg=-0.0516) USER MOD Set 2.2: A 50 MET CE :methyl -151:sc= -0.422 (180deg=-2.28!) USER MOD Set 3.1: A 12 HIS : no HE2:sc= 0.244 K(o=1.5,f=-5.3) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.14 K(o=1.1,f=-0.73) USER MOD Set 4.2: A 26 GLN : amide:sc= -0.0244 K(o=1.1,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.15 (180deg=1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= 2.5 (180deg=2.37) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.158) USER MOD Single : A 10 THR OG1 : rot -112:sc= 0.284 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.931 K(o=0.93,f=-1.7!) USER MOD Single : A 22 ASN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.12) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.04) USER MOD Single : A 32 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.054) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 1.6 K(o=1.6,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 73:sc= 0.155 USER MOD Single : A 49 SER OG : rot 50:sc= 1.2 USER MOD Single : A 51 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.4!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 ASN : amide:sc= 0.0607 K(o=0.061,f=-2.2!) USER MOD Single : A 65 ASN : amide:sc= 0.76 K(o=0.76,f=-6.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -175:sc= 1.28 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 43:sc= 0.571 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.166! X(o=0.17!,f=-0.023) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.062 -9.945 -19.060 1.00 0.00 N ATOM 2 CA MET A 1 12.996 -10.170 -20.541 1.00 0.00 C ATOM 3 C MET A 1 12.073 -9.151 -21.182 1.00 0.00 C ATOM 4 O MET A 1 11.237 -8.555 -20.506 1.00 0.00 O ATOM 5 CB MET A 1 12.498 -11.602 -20.888 1.00 0.00 C ATOM 6 CG MET A 1 13.416 -12.756 -20.429 1.00 0.00 C ATOM 7 SD MET A 1 15.127 -12.625 -21.026 1.00 0.00 S ATOM 8 CE MET A 1 15.678 -14.140 -20.187 1.00 0.00 C ATOM 0 H1 MET A 1 13.555 -10.742 -18.609 1.00 0.00 H new ATOM 0 H2 MET A 1 13.578 -9.063 -18.865 1.00 0.00 H new ATOM 0 H3 MET A 1 12.098 -9.873 -18.676 1.00 0.00 H new ATOM 0 HA MET A 1 14.007 -10.057 -20.932 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.514 -11.744 -20.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.370 -11.671 -21.968 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.424 -12.788 -19.340 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.994 -13.700 -20.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.736 -14.306 -20.393 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.529 -14.035 -19.112 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.100 -14.989 -20.552 1.00 0.00 H new ATOM 20 N SER A 2 12.161 -8.906 -22.505 1.00 0.00 N ATOM 21 CA SER A 2 11.335 -7.888 -23.149 1.00 0.00 C ATOM 22 C SER A 2 10.011 -8.495 -23.587 1.00 0.00 C ATOM 23 O SER A 2 9.707 -8.637 -24.773 1.00 0.00 O ATOM 24 CB SER A 2 12.049 -7.205 -24.338 1.00 0.00 C ATOM 25 OG SER A 2 11.398 -5.983 -24.689 1.00 0.00 O ATOM 0 H SER A 2 12.793 -9.399 -23.136 1.00 0.00 H new ATOM 0 HA SER A 2 11.148 -7.106 -22.413 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.089 -7.006 -24.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.058 -7.877 -25.196 1.00 0.00 H new ATOM 0 HG SER A 2 11.867 -5.567 -25.442 1.00 0.00 H new ATOM 31 N ASP A 3 9.214 -8.900 -22.584 1.00 0.00 N ATOM 32 CA ASP A 3 8.042 -9.734 -22.720 1.00 0.00 C ATOM 33 C ASP A 3 6.910 -9.186 -21.846 1.00 0.00 C ATOM 34 O ASP A 3 6.007 -8.464 -22.262 1.00 0.00 O ATOM 35 CB ASP A 3 8.362 -11.160 -22.164 1.00 0.00 C ATOM 36 CG ASP A 3 9.376 -11.980 -22.913 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.783 -11.663 -24.049 1.00 0.00 O ATOM 38 OD2 ASP A 3 9.765 -13.010 -22.304 1.00 0.00 O ATOM 0 H ASP A 3 9.391 -8.633 -21.616 1.00 0.00 H new ATOM 0 HA ASP A 3 7.757 -9.758 -23.772 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.708 -11.052 -21.136 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.431 -11.725 -22.129 1.00 0.00 H new ATOM 43 N GLU A 4 6.968 -9.591 -20.570 1.00 0.00 N ATOM 44 CA GLU A 4 5.942 -9.521 -19.563 1.00 0.00 C ATOM 45 C GLU A 4 6.682 -9.262 -18.245 1.00 0.00 C ATOM 46 O GLU A 4 6.593 -8.177 -17.674 1.00 0.00 O ATOM 47 CB GLU A 4 5.082 -10.826 -19.614 1.00 0.00 C ATOM 48 CG GLU A 4 5.872 -12.152 -19.424 1.00 0.00 C ATOM 49 CD GLU A 4 5.472 -13.364 -20.247 1.00 0.00 C ATOM 50 OE1 GLU A 4 4.377 -13.421 -20.851 1.00 0.00 O ATOM 51 OE2 GLU A 4 6.334 -14.287 -20.291 1.00 0.00 O ATOM 0 H GLU A 4 7.820 -10.012 -20.200 1.00 0.00 H new ATOM 0 HA GLU A 4 5.218 -8.719 -19.706 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.315 -10.766 -18.842 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.566 -10.864 -20.574 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.922 -11.944 -19.631 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.804 -12.430 -18.372 1.00 0.00 H new ATOM 58 N LYS A 5 7.503 -10.236 -17.788 1.00 0.00 N ATOM 59 CA LYS A 5 8.435 -10.158 -16.675 1.00 0.00 C ATOM 60 C LYS A 5 9.663 -9.301 -16.988 1.00 0.00 C ATOM 61 O LYS A 5 10.565 -9.674 -17.747 1.00 0.00 O ATOM 62 CB LYS A 5 8.811 -11.574 -16.113 1.00 0.00 C ATOM 63 CG LYS A 5 9.683 -12.550 -16.953 1.00 0.00 C ATOM 64 CD LYS A 5 9.066 -12.990 -18.291 1.00 0.00 C ATOM 65 CE LYS A 5 9.650 -14.263 -18.930 1.00 0.00 C ATOM 66 NZ LYS A 5 9.011 -14.493 -20.237 1.00 0.00 N ATOM 0 H LYS A 5 7.521 -11.156 -18.229 1.00 0.00 H new ATOM 0 HA LYS A 5 7.909 -9.639 -15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.325 -11.418 -15.165 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.877 -12.089 -15.888 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.643 -12.074 -17.153 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.885 -13.438 -16.355 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.997 -13.143 -18.140 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.173 -12.171 -19.002 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.728 -14.159 -19.053 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.485 -15.120 -18.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.938 -15.515 -20.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.060 -14.073 -20.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.583 -14.053 -20.986 1.00 0.00 H new ATOM 80 N LYS A 6 9.695 -8.080 -16.418 1.00 0.00 N ATOM 81 CA LYS A 6 10.678 -7.067 -16.739 1.00 0.00 C ATOM 82 C LYS A 6 10.852 -6.084 -15.582 1.00 0.00 C ATOM 83 O LYS A 6 10.091 -6.086 -14.609 1.00 0.00 O ATOM 84 CB LYS A 6 10.252 -6.311 -18.028 1.00 0.00 C ATOM 85 CG LYS A 6 8.980 -5.449 -17.893 1.00 0.00 C ATOM 86 CD LYS A 6 9.257 -3.939 -18.016 1.00 0.00 C ATOM 87 CE LYS A 6 9.576 -3.448 -19.439 1.00 0.00 C ATOM 88 NZ LYS A 6 8.382 -3.584 -20.279 1.00 0.00 N ATOM 0 H LYS A 6 9.021 -7.781 -15.713 1.00 0.00 H new ATOM 0 HA LYS A 6 11.636 -7.558 -16.909 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.075 -5.669 -18.342 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.095 -7.040 -18.823 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.265 -5.745 -18.661 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.513 -5.649 -16.928 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.388 -3.395 -17.647 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.093 -3.684 -17.365 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.899 -2.407 -19.413 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.398 -4.027 -19.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.513 -3.044 -21.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.231 -4.587 -20.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.554 -3.217 -19.768 1.00 0.00 H new ATOM 102 N GLY A 7 11.863 -5.194 -15.667 1.00 0.00 N ATOM 103 CA GLY A 7 12.076 -4.105 -14.714 1.00 0.00 C ATOM 104 C GLY A 7 12.842 -4.461 -13.466 1.00 0.00 C ATOM 105 O GLY A 7 12.481 -4.033 -12.368 1.00 0.00 O ATOM 0 H GLY A 7 12.559 -5.219 -16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.605 -3.300 -15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.103 -3.711 -14.420 1.00 0.00 H new ATOM 109 N GLY A 8 13.945 -5.218 -13.602 1.00 0.00 N ATOM 110 CA GLY A 8 14.863 -5.548 -12.506 1.00 0.00 C ATOM 111 C GLY A 8 14.311 -6.473 -11.449 1.00 0.00 C ATOM 112 O GLY A 8 13.691 -6.036 -10.481 1.00 0.00 O ATOM 0 H GLY A 8 14.225 -5.623 -14.495 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.758 -6.003 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.174 -4.621 -12.025 1.00 0.00 H new ATOM 116 N GLU A 9 14.532 -7.792 -11.587 1.00 0.00 N ATOM 117 CA GLU A 9 14.044 -8.781 -10.645 1.00 0.00 C ATOM 118 C GLU A 9 15.068 -9.131 -9.566 1.00 0.00 C ATOM 119 O GLU A 9 16.229 -9.417 -9.852 1.00 0.00 O ATOM 120 CB GLU A 9 13.613 -10.066 -11.391 1.00 0.00 C ATOM 121 CG GLU A 9 12.965 -11.139 -10.486 1.00 0.00 C ATOM 122 CD GLU A 9 12.432 -12.288 -11.311 1.00 0.00 C ATOM 123 OE1 GLU A 9 13.216 -12.927 -12.051 1.00 0.00 O ATOM 124 OE2 GLU A 9 11.206 -12.558 -11.241 1.00 0.00 O ATOM 0 H GLU A 9 15.059 -8.191 -12.364 1.00 0.00 H new ATOM 0 HA GLU A 9 13.185 -8.335 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.908 -9.797 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.486 -10.499 -11.880 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.699 -11.509 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.155 -10.693 -9.909 1.00 0.00 H new ATOM 131 N THR A 10 14.646 -9.104 -8.290 1.00 0.00 N ATOM 132 CA THR A 10 15.427 -9.530 -7.137 1.00 0.00 C ATOM 133 C THR A 10 14.427 -9.610 -5.995 1.00 0.00 C ATOM 134 O THR A 10 13.229 -9.471 -6.245 1.00 0.00 O ATOM 135 CB THR A 10 16.648 -8.652 -6.816 1.00 0.00 C ATOM 136 OG1 THR A 10 17.458 -9.197 -5.783 1.00 0.00 O ATOM 137 CG2 THR A 10 16.259 -7.222 -6.406 1.00 0.00 C ATOM 0 H THR A 10 13.716 -8.771 -8.034 1.00 0.00 H new ATOM 0 HA THR A 10 15.901 -10.491 -7.336 1.00 0.00 H new ATOM 0 HB THR A 10 17.214 -8.623 -7.747 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.402 -8.627 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 10 17.160 -6.647 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.711 -6.747 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.630 -7.257 -5.516 1.00 0.00 H new ATOM 145 N GLU A 11 14.887 -9.822 -4.742 1.00 0.00 N ATOM 146 CA GLU A 11 14.144 -10.095 -3.518 1.00 0.00 C ATOM 147 C GLU A 11 12.851 -9.296 -3.297 1.00 0.00 C ATOM 148 O GLU A 11 12.852 -8.085 -3.048 1.00 0.00 O ATOM 149 CB GLU A 11 15.112 -9.905 -2.325 1.00 0.00 C ATOM 150 CG GLU A 11 14.538 -10.195 -0.914 1.00 0.00 C ATOM 151 CD GLU A 11 14.246 -11.650 -0.601 1.00 0.00 C ATOM 152 OE1 GLU A 11 14.478 -12.560 -1.440 1.00 0.00 O ATOM 153 OE2 GLU A 11 13.775 -11.904 0.543 1.00 0.00 O ATOM 0 H GLU A 11 15.890 -9.801 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 11 13.782 -11.119 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.976 -10.551 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.475 -8.877 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.243 -9.819 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.616 -9.626 -0.795 1.00 0.00 H new ATOM 160 N HIS A 12 11.691 -9.972 -3.401 1.00 0.00 N ATOM 161 CA HIS A 12 10.392 -9.317 -3.448 1.00 0.00 C ATOM 162 C HIS A 12 9.307 -10.003 -2.644 1.00 0.00 C ATOM 163 O HIS A 12 9.383 -11.192 -2.353 1.00 0.00 O ATOM 164 CB HIS A 12 9.901 -9.214 -4.915 1.00 0.00 C ATOM 165 CG HIS A 12 9.920 -10.513 -5.686 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.375 -11.707 -5.251 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.433 -10.767 -6.918 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.573 -12.616 -6.232 1.00 0.00 C ATOM 169 NE2 HIS A 12 10.199 -12.085 -7.267 1.00 0.00 N ATOM 0 H HIS A 12 11.640 -10.989 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 12 10.557 -8.337 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.883 -8.823 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.522 -8.488 -5.440 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.911 -11.871 -4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.948 -10.045 -7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.259 -13.648 -6.176 1.00 0.00 H new ATOM 177 N ILE A 13 8.233 -9.260 -2.302 1.00 0.00 N ATOM 178 CA ILE A 13 7.066 -9.791 -1.613 1.00 0.00 C ATOM 179 C ILE A 13 5.792 -9.485 -2.396 1.00 0.00 C ATOM 180 O ILE A 13 5.666 -8.418 -3.002 1.00 0.00 O ATOM 181 CB ILE A 13 6.936 -9.264 -0.185 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.808 -7.725 -0.093 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.171 -9.750 0.599 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.460 -7.246 1.321 1.00 0.00 C ATOM 0 H ILE A 13 8.164 -8.263 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 13 7.206 -10.870 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 13 6.009 -9.650 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.746 -7.267 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.039 -7.386 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.113 -9.392 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.199 -10.840 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.075 -9.362 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.382 -6.159 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.508 -7.680 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.241 -7.559 2.014 1.00 0.00 H new ATOM 196 N ASN A 14 4.818 -10.423 -2.430 1.00 0.00 N ATOM 197 CA ASN A 14 3.522 -10.228 -3.075 1.00 0.00 C ATOM 198 C ASN A 14 2.497 -9.567 -2.153 1.00 0.00 C ATOM 199 O ASN A 14 2.167 -10.091 -1.090 1.00 0.00 O ATOM 200 CB ASN A 14 2.910 -11.574 -3.540 1.00 0.00 C ATOM 201 CG ASN A 14 3.617 -12.102 -4.781 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.322 -11.687 -5.909 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.536 -13.067 -4.599 1.00 0.00 N ATOM 0 H ASN A 14 4.922 -11.343 -2.002 1.00 0.00 H new ATOM 0 HA ASN A 14 3.725 -9.577 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.984 -12.307 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.849 -11.440 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.011 -13.477 -5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.758 -13.389 -3.657 1.00 0.00 H new ATOM 210 N LEU A 15 1.933 -8.420 -2.580 1.00 0.00 N ATOM 211 CA LEU A 15 0.926 -7.653 -1.861 1.00 0.00 C ATOM 212 C LEU A 15 -0.427 -7.828 -2.528 1.00 0.00 C ATOM 213 O LEU A 15 -0.543 -7.825 -3.754 1.00 0.00 O ATOM 214 CB LEU A 15 1.258 -6.134 -1.864 1.00 0.00 C ATOM 215 CG LEU A 15 2.067 -5.633 -0.650 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.402 -6.360 -0.463 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.298 -4.119 -0.749 1.00 0.00 C ATOM 0 H LEU A 15 2.184 -7.995 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 15 0.910 -8.020 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.816 -5.903 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.324 -5.575 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 15 1.466 -5.859 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.917 -5.956 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.219 -7.424 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.021 -6.217 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.870 -3.781 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.851 -3.894 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.337 -3.605 -0.771 1.00 0.00 H new ATOM 229 N LYS A 16 -1.502 -7.956 -1.730 1.00 0.00 N ATOM 230 CA LYS A 16 -2.865 -8.086 -2.211 1.00 0.00 C ATOM 231 C LYS A 16 -3.690 -6.891 -1.766 1.00 0.00 C ATOM 232 O LYS A 16 -3.934 -6.673 -0.581 1.00 0.00 O ATOM 233 CB LYS A 16 -3.530 -9.380 -1.684 1.00 0.00 C ATOM 234 CG LYS A 16 -2.705 -10.642 -1.976 1.00 0.00 C ATOM 235 CD LYS A 16 -3.484 -11.931 -1.700 1.00 0.00 C ATOM 236 CE LYS A 16 -2.588 -13.170 -1.737 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.406 -14.389 -1.702 1.00 0.00 N ATOM 0 H LYS A 16 -1.432 -7.971 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.827 -8.131 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.680 -9.292 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.516 -9.485 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.386 -10.630 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.801 -10.630 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.963 -11.861 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.279 -12.038 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.977 -13.159 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.904 -13.158 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.786 -15.224 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.970 -14.403 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.042 -14.404 -2.525 1.00 0.00 H new ATOM 251 N VAL A 17 -4.157 -6.068 -2.719 1.00 0.00 N ATOM 252 CA VAL A 17 -4.928 -4.875 -2.416 1.00 0.00 C ATOM 253 C VAL A 17 -6.401 -5.159 -2.617 1.00 0.00 C ATOM 254 O VAL A 17 -6.839 -5.431 -3.734 1.00 0.00 O ATOM 255 CB VAL A 17 -4.506 -3.687 -3.276 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.291 -2.424 -2.872 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.997 -3.449 -3.085 1.00 0.00 C ATOM 0 H VAL A 17 -4.005 -6.220 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.737 -4.610 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.720 -3.903 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.978 -1.586 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.358 -2.599 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.093 -2.192 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.682 -2.602 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.792 -3.237 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.447 -4.339 -3.389 1.00 0.00 H new ATOM 267 N LEU A 18 -7.195 -5.114 -1.526 1.00 0.00 N ATOM 268 CA LEU A 18 -8.623 -5.352 -1.566 1.00 0.00 C ATOM 269 C LEU A 18 -9.364 -4.056 -1.285 1.00 0.00 C ATOM 270 O LEU A 18 -9.255 -3.472 -0.207 1.00 0.00 O ATOM 271 CB LEU A 18 -9.086 -6.410 -0.527 1.00 0.00 C ATOM 272 CG LEU A 18 -8.555 -7.844 -0.756 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.178 -8.077 -0.117 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.545 -8.874 -0.195 1.00 0.00 C ATOM 0 H LEU A 18 -6.843 -4.908 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.849 -5.732 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.776 -6.080 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.176 -6.440 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.448 -7.965 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.856 -9.100 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.456 -7.382 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.244 -7.914 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.159 -9.879 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.674 -8.709 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.506 -8.766 -0.698 1.00 0.00 H new ATOM 286 N GLY A 19 -10.156 -3.563 -2.256 1.00 0.00 N ATOM 287 CA GLY A 19 -10.957 -2.361 -2.086 1.00 0.00 C ATOM 288 C GLY A 19 -12.359 -2.650 -1.618 1.00 0.00 C ATOM 289 O GLY A 19 -12.975 -3.647 -1.987 1.00 0.00 O ATOM 0 H GLY A 19 -10.250 -3.995 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.468 -1.704 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.000 -1.822 -3.033 1.00 0.00 H new ATOM 293 N GLN A 20 -12.950 -1.736 -0.817 1.00 0.00 N ATOM 294 CA GLN A 20 -14.346 -1.811 -0.388 1.00 0.00 C ATOM 295 C GLN A 20 -15.331 -1.629 -1.547 1.00 0.00 C ATOM 296 O GLN A 20 -16.495 -2.028 -1.504 1.00 0.00 O ATOM 297 CB GLN A 20 -14.617 -0.782 0.742 1.00 0.00 C ATOM 298 CG GLN A 20 -14.861 0.688 0.299 1.00 0.00 C ATOM 299 CD GLN A 20 -16.339 1.021 0.072 1.00 0.00 C ATOM 300 OE1 GLN A 20 -17.257 0.268 0.427 1.00 0.00 O ATOM 301 NE2 GLN A 20 -16.598 2.212 -0.501 1.00 0.00 N ATOM 0 H GLN A 20 -12.458 -0.921 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.511 -2.816 0.000 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.487 -1.117 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.769 -0.796 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.458 1.359 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.308 0.878 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.829 2.818 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.563 2.508 -0.649 1.00 0.00 H new ATOM 310 N ASP A 21 -14.815 -1.037 -2.635 1.00 0.00 N ATOM 311 CA ASP A 21 -15.377 -0.843 -3.948 1.00 0.00 C ATOM 312 C ASP A 21 -15.374 -2.115 -4.810 1.00 0.00 C ATOM 313 O ASP A 21 -15.937 -2.149 -5.905 1.00 0.00 O ATOM 314 CB ASP A 21 -14.539 0.293 -4.584 1.00 0.00 C ATOM 315 CG ASP A 21 -13.068 -0.057 -4.548 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.442 0.139 -3.471 1.00 0.00 O ATOM 317 OD2 ASP A 21 -12.550 -0.559 -5.575 1.00 0.00 O ATOM 0 H ASP A 21 -13.877 -0.640 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.434 -0.584 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.856 0.455 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.711 1.226 -4.047 1.00 0.00 H new ATOM 322 N ASN A 22 -14.727 -3.187 -4.303 1.00 0.00 N ATOM 323 CA ASN A 22 -14.657 -4.521 -4.869 1.00 0.00 C ATOM 324 C ASN A 22 -13.723 -4.661 -6.061 1.00 0.00 C ATOM 325 O ASN A 22 -13.802 -5.627 -6.829 1.00 0.00 O ATOM 326 CB ASN A 22 -16.044 -5.182 -5.107 1.00 0.00 C ATOM 327 CG ASN A 22 -16.875 -5.194 -3.824 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.981 -4.669 -3.755 1.00 0.00 O ATOM 329 ND2 ASN A 22 -16.333 -5.837 -2.761 1.00 0.00 N ATOM 0 H ASN A 22 -14.209 -3.122 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.185 -5.103 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.580 -4.640 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.907 -6.202 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.847 -5.891 -1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.411 -6.267 -2.841 1.00 0.00 H new ATOM 336 N ALA A 23 -12.742 -3.746 -6.208 1.00 0.00 N ATOM 337 CA ALA A 23 -11.553 -3.988 -6.993 1.00 0.00 C ATOM 338 C ALA A 23 -10.516 -4.754 -6.168 1.00 0.00 C ATOM 339 O ALA A 23 -10.237 -4.425 -5.013 1.00 0.00 O ATOM 340 CB ALA A 23 -10.959 -2.658 -7.495 1.00 0.00 C ATOM 0 H ALA A 23 -12.770 -2.822 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.827 -4.594 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.064 -2.859 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.693 -2.142 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.699 -2.031 -6.642 1.00 0.00 H new ATOM 346 N VAL A 24 -9.940 -5.830 -6.736 1.00 0.00 N ATOM 347 CA VAL A 24 -8.965 -6.674 -6.050 1.00 0.00 C ATOM 348 C VAL A 24 -7.802 -6.953 -6.981 1.00 0.00 C ATOM 349 O VAL A 24 -7.961 -7.566 -8.041 1.00 0.00 O ATOM 350 CB VAL A 24 -9.541 -8.006 -5.554 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.456 -8.808 -4.807 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.733 -7.748 -4.612 1.00 0.00 C ATOM 0 H VAL A 24 -10.144 -6.133 -7.688 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.645 -6.122 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.882 -8.581 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.876 -9.752 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.623 -9.008 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.101 -8.232 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.135 -8.700 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.400 -7.161 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.508 -7.200 -5.148 1.00 0.00 H new ATOM 362 N VAL A 25 -6.582 -6.508 -6.625 1.00 0.00 N ATOM 363 CA VAL A 25 -5.391 -6.707 -7.445 1.00 0.00 C ATOM 364 C VAL A 25 -4.240 -7.252 -6.613 1.00 0.00 C ATOM 365 O VAL A 25 -4.097 -6.943 -5.430 1.00 0.00 O ATOM 366 CB VAL A 25 -4.923 -5.440 -8.177 1.00 0.00 C ATOM 367 CG1 VAL A 25 -5.975 -5.030 -9.224 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.658 -4.283 -7.195 1.00 0.00 C ATOM 0 H VAL A 25 -6.403 -6.001 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.686 -7.431 -8.205 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.981 -5.662 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.641 -4.131 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.105 -5.837 -9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.925 -4.831 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.329 -3.404 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.574 -4.048 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.883 -4.577 -6.487 1.00 0.00 H new ATOM 378 N GLN A 26 -3.374 -8.092 -7.224 1.00 0.00 N ATOM 379 CA GLN A 26 -2.124 -8.521 -6.626 1.00 0.00 C ATOM 380 C GLN A 26 -0.944 -8.014 -7.448 1.00 0.00 C ATOM 381 O GLN A 26 -0.935 -8.094 -8.681 1.00 0.00 O ATOM 382 CB GLN A 26 -2.047 -10.067 -6.488 1.00 0.00 C ATOM 383 CG GLN A 26 -0.837 -10.574 -5.664 1.00 0.00 C ATOM 384 CD GLN A 26 -0.810 -12.101 -5.546 1.00 0.00 C ATOM 385 OE1 GLN A 26 -1.751 -12.748 -5.086 1.00 0.00 O ATOM 386 NE2 GLN A 26 0.341 -12.697 -5.933 1.00 0.00 N ATOM 0 H GLN A 26 -3.539 -8.484 -8.151 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.079 -8.095 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.965 -10.425 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.003 -10.507 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.086 -10.232 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.871 -10.136 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.104 -12.135 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.446 -13.708 -5.847 1.00 0.00 H new ATOM 395 N PHE A 27 0.083 -7.469 -6.770 1.00 0.00 N ATOM 396 CA PHE A 27 1.336 -7.060 -7.383 1.00 0.00 C ATOM 397 C PHE A 27 2.468 -7.412 -6.430 1.00 0.00 C ATOM 398 O PHE A 27 2.232 -7.908 -5.332 1.00 0.00 O ATOM 399 CB PHE A 27 1.354 -5.552 -7.789 1.00 0.00 C ATOM 400 CG PHE A 27 0.928 -4.613 -6.683 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.779 -4.315 -5.602 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.325 -3.979 -6.747 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.378 -3.427 -4.598 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.724 -3.074 -5.756 1.00 0.00 C ATOM 405 CZ PHE A 27 0.127 -2.803 -4.676 1.00 0.00 C ATOM 0 H PHE A 27 0.053 -7.303 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 27 1.462 -7.599 -8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.360 -5.285 -8.111 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.696 -5.409 -8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.753 -4.778 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.989 -4.193 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.033 -3.223 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.685 -2.586 -5.824 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.182 -2.113 -3.904 1.00 0.00 H new ATOM 415 N LYS A 28 3.739 -7.167 -6.808 1.00 0.00 N ATOM 416 CA LYS A 28 4.849 -7.408 -5.907 1.00 0.00 C ATOM 417 C LYS A 28 5.839 -6.258 -5.892 1.00 0.00 C ATOM 418 O LYS A 28 6.092 -5.606 -6.904 1.00 0.00 O ATOM 419 CB LYS A 28 5.567 -8.753 -6.190 1.00 0.00 C ATOM 420 CG LYS A 28 6.234 -8.906 -7.568 1.00 0.00 C ATOM 421 CD LYS A 28 6.855 -10.310 -7.690 1.00 0.00 C ATOM 422 CE LYS A 28 7.480 -10.617 -9.057 1.00 0.00 C ATOM 423 NZ LYS A 28 7.914 -12.027 -9.124 1.00 0.00 N ATOM 0 H LYS A 28 4.005 -6.806 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 28 4.411 -7.479 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.330 -8.899 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.841 -9.557 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.499 -8.753 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.003 -8.145 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.620 -10.422 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.085 -11.053 -7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.757 -10.415 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.332 -9.960 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.981 -12.323 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.844 -12.126 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.222 -12.627 -8.631 1.00 0.00 H new ATOM 437 N ILE A 29 6.422 -5.976 -4.710 1.00 0.00 N ATOM 438 CA ILE A 29 7.403 -4.921 -4.508 1.00 0.00 C ATOM 439 C ILE A 29 8.722 -5.560 -4.100 1.00 0.00 C ATOM 440 O ILE A 29 8.747 -6.593 -3.435 1.00 0.00 O ATOM 441 CB ILE A 29 6.930 -3.882 -3.477 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.856 -2.638 -3.419 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.727 -4.534 -2.086 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.353 -1.519 -2.501 1.00 0.00 C ATOM 0 H ILE A 29 6.211 -6.494 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 29 7.537 -4.373 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 29 5.960 -3.512 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.844 -2.951 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.973 -2.240 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.393 -3.778 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.976 -5.321 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.669 -4.962 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.059 -0.689 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.379 -1.175 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.263 -1.897 -1.482 1.00 0.00 H new ATOM 456 N LYS A 30 9.880 -4.986 -4.502 1.00 0.00 N ATOM 457 CA LYS A 30 11.169 -5.432 -3.984 1.00 0.00 C ATOM 458 C LYS A 30 11.422 -4.813 -2.615 1.00 0.00 C ATOM 459 O LYS A 30 11.194 -3.623 -2.409 1.00 0.00 O ATOM 460 CB LYS A 30 12.374 -5.123 -4.915 1.00 0.00 C ATOM 461 CG LYS A 30 12.520 -6.074 -6.120 1.00 0.00 C ATOM 462 CD LYS A 30 11.789 -5.671 -7.414 1.00 0.00 C ATOM 463 CE LYS A 30 12.323 -4.362 -8.007 1.00 0.00 C ATOM 464 NZ LYS A 30 11.927 -4.192 -9.415 1.00 0.00 N ATOM 0 H LYS A 30 9.936 -4.223 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 30 11.100 -6.518 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.277 -4.102 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.290 -5.163 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.581 -6.175 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.163 -7.059 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.893 -6.468 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.724 -5.565 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.951 -3.521 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.410 -4.347 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.097 -3.208 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.487 -4.833 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.917 -4.415 -9.521 1.00 0.00 H new ATOM 478 N LYS A 31 11.915 -5.613 -1.642 1.00 0.00 N ATOM 479 CA LYS A 31 11.963 -5.267 -0.224 1.00 0.00 C ATOM 480 C LYS A 31 12.759 -4.016 0.136 1.00 0.00 C ATOM 481 O LYS A 31 12.540 -3.397 1.171 1.00 0.00 O ATOM 482 CB LYS A 31 12.543 -6.436 0.612 1.00 0.00 C ATOM 483 CG LYS A 31 11.646 -7.683 0.695 1.00 0.00 C ATOM 484 CD LYS A 31 12.266 -8.712 1.657 1.00 0.00 C ATOM 485 CE LYS A 31 11.457 -10.003 1.838 1.00 0.00 C ATOM 486 NZ LYS A 31 12.287 -10.996 2.529 1.00 0.00 N ATOM 0 H LYS A 31 12.297 -6.538 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 31 10.919 -5.060 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.504 -6.726 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.737 -6.078 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.651 -7.403 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.528 -8.123 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.260 -8.972 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.395 -8.243 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.553 -9.803 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.140 -10.387 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.690 -11.784 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.013 -11.355 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.747 -10.553 3.350 1.00 0.00 H new ATOM 500 N HIS A 32 13.712 -3.612 -0.715 1.00 0.00 N ATOM 501 CA HIS A 32 14.566 -2.464 -0.476 1.00 0.00 C ATOM 502 C HIS A 32 13.875 -1.126 -0.702 1.00 0.00 C ATOM 503 O HIS A 32 14.319 -0.097 -0.199 1.00 0.00 O ATOM 504 CB HIS A 32 15.817 -2.538 -1.384 1.00 0.00 C ATOM 505 CG HIS A 32 16.492 -3.878 -1.352 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.327 -4.322 -2.352 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.432 -4.888 -0.440 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.708 -5.578 -2.024 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.197 -5.960 -0.869 1.00 0.00 N ATOM 0 H HIS A 32 13.906 -4.086 -1.597 1.00 0.00 H new ATOM 0 HA HIS A 32 14.840 -2.510 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.528 -2.308 -2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.528 -1.772 -1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 32 15.870 -4.857 0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.353 -6.194 -2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.335 -6.852 -0.394 1.00 0.00 H new ATOM 517 N THR A 33 12.770 -1.091 -1.466 1.00 0.00 N ATOM 518 CA THR A 33 12.030 0.145 -1.737 1.00 0.00 C ATOM 519 C THR A 33 10.911 0.303 -0.713 1.00 0.00 C ATOM 520 O THR A 33 10.156 -0.648 -0.515 1.00 0.00 O ATOM 521 CB THR A 33 11.457 0.188 -3.156 1.00 0.00 C ATOM 522 OG1 THR A 33 12.516 0.413 -4.084 1.00 0.00 O ATOM 523 CG2 THR A 33 10.477 1.347 -3.382 1.00 0.00 C ATOM 0 H THR A 33 12.369 -1.917 -1.910 1.00 0.00 H new ATOM 0 HA THR A 33 12.733 0.974 -1.655 1.00 0.00 H new ATOM 0 HB THR A 33 10.943 -0.763 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.153 0.439 -4.994 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.109 1.318 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.638 1.253 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.987 2.294 -3.206 1.00 0.00 H new ATOM 531 N PRO A 34 10.749 1.426 -0.011 1.00 0.00 N ATOM 532 CA PRO A 34 9.685 1.571 0.988 1.00 0.00 C ATOM 533 C PRO A 34 8.308 1.733 0.367 1.00 0.00 C ATOM 534 O PRO A 34 8.179 2.099 -0.805 1.00 0.00 O ATOM 535 CB PRO A 34 10.096 2.837 1.755 1.00 0.00 C ATOM 536 CG PRO A 34 10.881 3.664 0.739 1.00 0.00 C ATOM 537 CD PRO A 34 11.640 2.589 -0.039 1.00 0.00 C ATOM 0 HA PRO A 34 9.593 0.685 1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.224 3.380 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.707 2.593 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.223 4.246 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.557 4.369 1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.846 2.908 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.601 2.366 0.425 1.00 0.00 H new ATOM 545 N LEU A 35 7.248 1.492 1.158 1.00 0.00 N ATOM 546 CA LEU A 35 5.878 1.431 0.667 1.00 0.00 C ATOM 547 C LEU A 35 5.338 2.790 0.252 1.00 0.00 C ATOM 548 O LEU A 35 4.541 2.897 -0.681 1.00 0.00 O ATOM 549 CB LEU A 35 4.943 0.758 1.713 1.00 0.00 C ATOM 550 CG LEU A 35 5.003 -0.793 1.761 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.543 -1.434 0.441 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.364 -1.371 2.182 1.00 0.00 C ATOM 0 H LEU A 35 7.328 1.334 2.162 1.00 0.00 H new ATOM 0 HA LEU A 35 5.897 0.816 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.193 1.145 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.916 1.058 1.504 1.00 0.00 H new ATOM 0 HG LEU A 35 4.300 -1.057 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.603 -2.519 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.513 -1.142 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.186 -1.096 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.311 -2.460 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.130 -1.048 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.617 -1.015 3.181 1.00 0.00 H new ATOM 564 N ARG A 36 5.813 3.872 0.899 1.00 0.00 N ATOM 565 CA ARG A 36 5.571 5.267 0.563 1.00 0.00 C ATOM 566 C ARG A 36 5.739 5.606 -0.911 1.00 0.00 C ATOM 567 O ARG A 36 4.896 6.282 -1.501 1.00 0.00 O ATOM 568 CB ARG A 36 6.518 6.193 1.378 1.00 0.00 C ATOM 569 CG ARG A 36 6.138 7.685 1.298 1.00 0.00 C ATOM 570 CD ARG A 36 6.994 8.598 2.179 1.00 0.00 C ATOM 571 NE ARG A 36 6.311 9.930 2.144 1.00 0.00 N ATOM 572 CZ ARG A 36 5.810 10.549 3.216 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.089 10.204 4.462 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.937 11.531 3.025 1.00 0.00 N ATOM 0 H ARG A 36 6.412 3.777 1.719 1.00 0.00 H new ATOM 0 HA ARG A 36 4.524 5.433 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.510 5.880 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.538 6.066 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.222 8.015 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.092 7.798 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.058 8.215 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.014 8.668 1.800 1.00 0.00 H new ATOM 0 HE ARG A 36 6.222 10.396 1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.720 9.424 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.673 10.718 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.665 11.795 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.538 12.021 3.825 1.00 0.00 H new ATOM 588 N LYS A 37 6.826 5.102 -1.534 1.00 0.00 N ATOM 589 CA LYS A 37 7.124 5.280 -2.943 1.00 0.00 C ATOM 590 C LYS A 37 6.046 4.682 -3.831 1.00 0.00 C ATOM 591 O LYS A 37 5.518 5.345 -4.720 1.00 0.00 O ATOM 592 CB LYS A 37 8.503 4.641 -3.277 1.00 0.00 C ATOM 593 CG LYS A 37 8.963 4.741 -4.750 1.00 0.00 C ATOM 594 CD LYS A 37 9.132 6.188 -5.250 1.00 0.00 C ATOM 595 CE LYS A 37 8.248 6.533 -6.460 1.00 0.00 C ATOM 596 NZ LYS A 37 8.134 7.992 -6.619 1.00 0.00 N ATOM 0 H LYS A 37 7.529 4.548 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 37 7.157 6.351 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.260 5.111 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.469 3.587 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.911 4.215 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.238 4.230 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.900 6.874 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.176 6.351 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.672 6.095 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.257 6.097 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.534 8.206 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.709 8.402 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.079 8.400 -6.765 1.00 0.00 H new ATOM 610 N LEU A 38 5.658 3.422 -3.568 1.00 0.00 N ATOM 611 CA LEU A 38 4.604 2.735 -4.291 1.00 0.00 C ATOM 612 C LEU A 38 3.250 3.408 -4.107 1.00 0.00 C ATOM 613 O LEU A 38 2.591 3.767 -5.082 1.00 0.00 O ATOM 614 CB LEU A 38 4.565 1.239 -3.877 1.00 0.00 C ATOM 615 CG LEU A 38 3.684 0.319 -4.759 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.233 -1.112 -4.747 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.210 0.288 -4.329 1.00 0.00 C ATOM 0 H LEU A 38 6.082 2.855 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 38 4.830 2.793 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.584 0.852 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.209 1.175 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 38 3.723 0.741 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.605 -1.748 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.251 -1.114 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.234 -1.493 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.652 -0.375 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.138 -0.076 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.793 1.293 -4.388 1.00 0.00 H new ATOM 629 N MET A 39 2.818 3.631 -2.850 1.00 0.00 N ATOM 630 CA MET A 39 1.540 4.235 -2.501 1.00 0.00 C ATOM 631 C MET A 39 1.323 5.617 -3.102 1.00 0.00 C ATOM 632 O MET A 39 0.332 5.870 -3.780 1.00 0.00 O ATOM 633 CB MET A 39 1.383 4.330 -0.962 1.00 0.00 C ATOM 634 CG MET A 39 1.200 2.967 -0.258 1.00 0.00 C ATOM 635 SD MET A 39 -0.503 2.588 0.284 1.00 0.00 S ATOM 636 CE MET A 39 -1.310 2.495 -1.341 1.00 0.00 C ATOM 0 H MET A 39 3.375 3.384 -2.032 1.00 0.00 H new ATOM 0 HA MET A 39 0.785 3.575 -2.928 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.262 4.825 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.525 4.962 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.531 2.180 -0.935 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.856 2.936 0.612 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.347 2.182 -1.215 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.282 3.475 -1.818 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.786 1.772 -1.966 1.00 0.00 H new ATOM 646 N ASN A 40 2.267 6.553 -2.886 1.00 0.00 N ATOM 647 CA ASN A 40 2.118 7.924 -3.355 1.00 0.00 C ATOM 648 C ASN A 40 2.296 8.040 -4.870 1.00 0.00 C ATOM 649 O ASN A 40 1.614 8.839 -5.514 1.00 0.00 O ATOM 650 CB ASN A 40 3.053 8.897 -2.592 1.00 0.00 C ATOM 651 CG ASN A 40 2.595 9.030 -1.141 1.00 0.00 C ATOM 652 OD1 ASN A 40 1.840 9.944 -0.789 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.073 8.132 -0.253 1.00 0.00 N ATOM 0 H ASN A 40 3.139 6.374 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 40 1.092 8.221 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.079 8.531 -2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.047 9.874 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.813 8.199 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.695 7.386 -0.566 1.00 0.00 H new ATOM 660 N ALA A 41 3.146 7.202 -5.500 1.00 0.00 N ATOM 661 CA ALA A 41 3.203 7.109 -6.950 1.00 0.00 C ATOM 662 C ALA A 41 1.926 6.544 -7.567 1.00 0.00 C ATOM 663 O ALA A 41 1.444 7.052 -8.569 1.00 0.00 O ATOM 664 CB ALA A 41 4.400 6.263 -7.408 1.00 0.00 C ATOM 0 H ALA A 41 3.797 6.585 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 41 3.318 8.134 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.415 6.213 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.325 6.719 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.312 5.256 -6.999 1.00 0.00 H new ATOM 670 N TYR A 42 1.313 5.505 -6.952 1.00 0.00 N ATOM 671 CA TYR A 42 -0.010 5.027 -7.334 1.00 0.00 C ATOM 672 C TYR A 42 -1.072 6.115 -7.216 1.00 0.00 C ATOM 673 O TYR A 42 -1.849 6.327 -8.149 1.00 0.00 O ATOM 674 CB TYR A 42 -0.432 3.778 -6.505 1.00 0.00 C ATOM 675 CG TYR A 42 -0.324 2.531 -7.347 1.00 0.00 C ATOM 676 CD1 TYR A 42 0.881 1.812 -7.452 1.00 0.00 C ATOM 677 CD2 TYR A 42 -1.449 2.082 -8.059 1.00 0.00 C ATOM 678 CE1 TYR A 42 0.959 0.664 -8.258 1.00 0.00 C ATOM 679 CE2 TYR A 42 -1.373 0.937 -8.862 1.00 0.00 C ATOM 680 CZ TYR A 42 -0.169 0.233 -8.971 1.00 0.00 C ATOM 681 OH TYR A 42 -0.109 -0.893 -9.825 1.00 0.00 O ATOM 0 H TYR A 42 1.732 4.985 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 42 0.062 4.739 -8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.203 3.686 -5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.455 3.898 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.753 2.145 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.380 2.624 -7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.886 0.114 -8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.246 0.597 -9.399 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.988 -1.041 -10.233 1.00 0.00 H new ATOM 691 N CYS A 43 -1.104 6.874 -6.101 1.00 0.00 N ATOM 692 CA CYS A 43 -1.983 8.025 -5.940 1.00 0.00 C ATOM 693 C CYS A 43 -1.849 9.086 -7.028 1.00 0.00 C ATOM 694 O CYS A 43 -2.847 9.506 -7.608 1.00 0.00 O ATOM 695 CB CYS A 43 -1.806 8.714 -4.566 1.00 0.00 C ATOM 696 SG CYS A 43 -2.392 7.658 -3.207 1.00 0.00 S ATOM 0 H CYS A 43 -0.513 6.695 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.980 7.591 -6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.754 8.955 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.354 9.656 -4.558 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.553 6.682 -3.023 1.00 0.00 H new ATOM 702 N ASP A 44 -0.614 9.519 -7.344 1.00 0.00 N ATOM 703 CA ASP A 44 -0.358 10.480 -8.400 1.00 0.00 C ATOM 704 C ASP A 44 -0.606 9.957 -9.810 1.00 0.00 C ATOM 705 O ASP A 44 -1.191 10.663 -10.636 1.00 0.00 O ATOM 706 CB ASP A 44 1.104 10.973 -8.315 1.00 0.00 C ATOM 707 CG ASP A 44 1.153 12.282 -7.585 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.390 13.205 -7.977 1.00 0.00 O ATOM 709 OD2 ASP A 44 1.989 12.443 -6.660 1.00 0.00 O ATOM 0 H ASP A 44 0.229 9.203 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.071 11.287 -8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.718 10.235 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.518 11.088 -9.317 1.00 0.00 H new ATOM 714 N ARG A 45 -0.149 8.735 -10.136 1.00 0.00 N ATOM 715 CA ARG A 45 -0.204 8.189 -11.481 1.00 0.00 C ATOM 716 C ARG A 45 -1.578 7.649 -11.857 1.00 0.00 C ATOM 717 O ARG A 45 -1.996 7.755 -13.007 1.00 0.00 O ATOM 718 CB ARG A 45 0.907 7.130 -11.662 1.00 0.00 C ATOM 719 CG ARG A 45 1.167 6.735 -13.128 1.00 0.00 C ATOM 720 CD ARG A 45 2.613 6.278 -13.385 1.00 0.00 C ATOM 721 NE ARG A 45 2.766 6.015 -14.851 1.00 0.00 N ATOM 722 CZ ARG A 45 2.775 6.952 -15.806 1.00 0.00 C ATOM 723 NH1 ARG A 45 2.848 8.250 -15.579 1.00 0.00 N ATOM 724 NH2 ARG A 45 2.638 6.540 -17.058 1.00 0.00 N ATOM 0 H ARG A 45 0.272 8.101 -9.457 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.025 9.010 -12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.832 7.512 -11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.638 6.237 -11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.484 5.933 -13.408 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.942 7.585 -13.772 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.317 7.044 -13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.835 5.378 -12.812 1.00 0.00 H new ATOM 0 HE ARG A 45 2.872 5.044 -15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.903 8.598 -14.622 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.850 8.905 -16.361 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.532 5.546 -17.259 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.639 7.217 -17.821 1.00 0.00 H new ATOM 738 N ALA A 46 -2.351 7.111 -10.890 1.00 0.00 N ATOM 739 CA ALA A 46 -3.768 6.849 -11.097 1.00 0.00 C ATOM 740 C ALA A 46 -4.573 8.146 -11.056 1.00 0.00 C ATOM 741 O ALA A 46 -5.581 8.298 -11.744 1.00 0.00 O ATOM 742 CB ALA A 46 -4.303 5.863 -10.037 1.00 0.00 C ATOM 0 H ALA A 46 -2.007 6.854 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.883 6.399 -12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.364 5.682 -10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.758 4.922 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.166 6.288 -9.043 1.00 0.00 H new ATOM 748 N GLY A 47 -4.113 9.133 -10.261 1.00 0.00 N ATOM 749 CA GLY A 47 -4.565 10.513 -10.345 1.00 0.00 C ATOM 750 C GLY A 47 -5.645 10.873 -9.371 1.00 0.00 C ATOM 751 O GLY A 47 -6.593 11.573 -9.724 1.00 0.00 O ATOM 0 H GLY A 47 -3.410 8.980 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.712 11.172 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.926 10.703 -11.356 1.00 0.00 H new ATOM 755 N LEU A 48 -5.523 10.422 -8.111 1.00 0.00 N ATOM 756 CA LEU A 48 -6.480 10.681 -7.049 1.00 0.00 C ATOM 757 C LEU A 48 -5.813 11.422 -5.885 1.00 0.00 C ATOM 758 O LEU A 48 -5.357 12.553 -6.054 1.00 0.00 O ATOM 759 CB LEU A 48 -7.315 9.418 -6.670 1.00 0.00 C ATOM 760 CG LEU A 48 -6.611 8.038 -6.674 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.649 7.814 -5.503 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.664 6.918 -6.667 1.00 0.00 C ATOM 0 H LEU A 48 -4.732 9.854 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.242 11.368 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.724 9.578 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.160 9.361 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.009 8.019 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.201 6.824 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.865 8.570 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.196 7.888 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.165 5.949 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.282 7.005 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.293 7.005 -7.553 1.00 0.00 H new ATOM 774 N SER A 49 -5.770 10.860 -4.664 1.00 0.00 N ATOM 775 CA SER A 49 -5.054 11.395 -3.507 1.00 0.00 C ATOM 776 C SER A 49 -5.149 10.355 -2.425 1.00 0.00 C ATOM 777 O SER A 49 -6.013 9.487 -2.483 1.00 0.00 O ATOM 778 CB SER A 49 -5.634 12.719 -2.924 1.00 0.00 C ATOM 779 OG SER A 49 -5.244 13.836 -3.725 1.00 0.00 O ATOM 0 H SER A 49 -6.254 9.987 -4.455 1.00 0.00 H new ATOM 0 HA SER A 49 -4.041 11.623 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.721 12.658 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.282 12.857 -1.902 1.00 0.00 H new ATOM 0 HG SER A 49 -5.431 13.644 -4.668 1.00 0.00 H new ATOM 785 N MET A 50 -4.288 10.414 -1.394 1.00 0.00 N ATOM 786 CA MET A 50 -4.230 9.425 -0.327 1.00 0.00 C ATOM 787 C MET A 50 -5.362 9.607 0.682 1.00 0.00 C ATOM 788 O MET A 50 -5.826 8.666 1.324 1.00 0.00 O ATOM 789 CB MET A 50 -2.856 9.529 0.379 1.00 0.00 C ATOM 790 CG MET A 50 -2.471 8.348 1.290 1.00 0.00 C ATOM 791 SD MET A 50 -1.688 6.934 0.441 1.00 0.00 S ATOM 792 CE MET A 50 -3.184 6.011 -0.005 1.00 0.00 C ATOM 0 H MET A 50 -3.607 11.165 -1.286 1.00 0.00 H new ATOM 0 HA MET A 50 -4.352 8.435 -0.766 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.086 9.639 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.845 10.441 0.976 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.790 8.711 2.060 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.368 7.995 1.798 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.955 4.946 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.956 6.184 0.745 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.542 6.347 -0.978 1.00 0.00 H new ATOM 802 N GLN A 51 -5.857 10.853 0.808 1.00 0.00 N ATOM 803 CA GLN A 51 -7.001 11.275 1.601 1.00 0.00 C ATOM 804 C GLN A 51 -8.206 10.327 1.573 1.00 0.00 C ATOM 805 O GLN A 51 -8.512 9.644 2.547 1.00 0.00 O ATOM 806 CB GLN A 51 -7.424 12.687 1.110 1.00 0.00 C ATOM 807 CG GLN A 51 -6.401 13.801 1.455 1.00 0.00 C ATOM 808 CD GLN A 51 -6.422 14.105 2.957 1.00 0.00 C ATOM 809 OE1 GLN A 51 -7.433 13.906 3.622 1.00 0.00 O ATOM 810 NE2 GLN A 51 -5.295 14.613 3.500 1.00 0.00 N ATOM 0 H GLN A 51 -5.429 11.639 0.319 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.679 11.274 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.566 12.659 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.387 12.942 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.400 13.489 1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.635 14.705 0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.472 14.766 2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.267 14.844 4.493 1.00 0.00 H new ATOM 819 N VAL A 52 -8.890 10.208 0.421 1.00 0.00 N ATOM 820 CA VAL A 52 -10.075 9.373 0.252 1.00 0.00 C ATOM 821 C VAL A 52 -9.793 7.874 0.114 1.00 0.00 C ATOM 822 O VAL A 52 -10.687 7.093 -0.208 1.00 0.00 O ATOM 823 CB VAL A 52 -10.894 9.846 -0.956 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.427 11.268 -0.685 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.058 9.796 -2.256 1.00 0.00 C ATOM 0 H VAL A 52 -8.623 10.702 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.637 9.493 1.178 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.739 9.172 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.010 11.608 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.060 11.256 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.589 11.946 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.667 10.137 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.187 10.443 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.730 8.773 -2.439 1.00 0.00 H new ATOM 835 N VAL A 53 -8.542 7.444 0.358 1.00 0.00 N ATOM 836 CA VAL A 53 -8.085 6.073 0.249 1.00 0.00 C ATOM 837 C VAL A 53 -7.628 5.594 1.625 1.00 0.00 C ATOM 838 O VAL A 53 -6.474 5.759 2.022 1.00 0.00 O ATOM 839 CB VAL A 53 -6.934 5.983 -0.764 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.411 4.548 -0.928 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.419 6.485 -2.137 1.00 0.00 C ATOM 0 H VAL A 53 -7.800 8.081 0.648 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.898 5.437 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.121 6.601 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.598 4.538 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.045 4.182 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.218 3.904 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.603 6.422 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.251 5.868 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.747 7.521 -2.051 1.00 0.00 H new ATOM 851 N ARG A 54 -8.531 5.009 2.439 1.00 0.00 N ATOM 852 CA ARG A 54 -8.210 4.653 3.815 1.00 0.00 C ATOM 853 C ARG A 54 -7.701 3.211 3.944 1.00 0.00 C ATOM 854 O ARG A 54 -8.448 2.258 4.187 1.00 0.00 O ATOM 855 CB ARG A 54 -9.417 4.901 4.752 1.00 0.00 C ATOM 856 CG ARG A 54 -9.992 6.343 4.745 1.00 0.00 C ATOM 857 CD ARG A 54 -9.175 7.423 5.486 1.00 0.00 C ATOM 858 NE ARG A 54 -8.034 7.842 4.610 1.00 0.00 N ATOM 859 CZ ARG A 54 -6.762 7.931 5.000 1.00 0.00 C ATOM 860 NH1 ARG A 54 -6.378 7.782 6.261 1.00 0.00 N ATOM 861 NH2 ARG A 54 -5.808 8.209 4.118 1.00 0.00 N ATOM 0 H ARG A 54 -9.484 4.778 2.157 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.395 5.306 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.214 4.211 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.119 4.654 5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.108 6.657 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.990 6.313 5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.806 8.280 5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.802 7.032 6.433 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.247 8.077 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.070 7.590 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.391 7.860 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.047 8.356 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.837 8.276 4.422 1.00 0.00 H new ATOM 875 N PHE A 55 -6.379 3.022 3.776 1.00 0.00 N ATOM 876 CA PHE A 55 -5.700 1.737 3.796 1.00 0.00 C ATOM 877 C PHE A 55 -5.394 1.230 5.207 1.00 0.00 C ATOM 878 O PHE A 55 -4.880 1.956 6.055 1.00 0.00 O ATOM 879 CB PHE A 55 -4.410 1.776 2.919 1.00 0.00 C ATOM 880 CG PHE A 55 -3.394 2.790 3.395 1.00 0.00 C ATOM 881 CD1 PHE A 55 -3.502 4.141 3.023 1.00 0.00 C ATOM 882 CD2 PHE A 55 -2.331 2.409 4.234 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.586 5.091 3.496 1.00 0.00 C ATOM 884 CE2 PHE A 55 -1.404 3.355 4.697 1.00 0.00 C ATOM 885 CZ PHE A 55 -1.535 4.698 4.329 1.00 0.00 C ATOM 0 H PHE A 55 -5.739 3.800 3.617 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.397 1.018 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.952 0.787 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.686 2.004 1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.300 4.451 2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.227 1.374 4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.693 6.129 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.590 3.047 5.337 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.826 5.429 4.688 1.00 0.00 H new ATOM 895 N ARG A 56 -5.726 -0.042 5.509 1.00 0.00 N ATOM 896 CA ARG A 56 -5.463 -0.645 6.806 1.00 0.00 C ATOM 897 C ARG A 56 -4.923 -2.062 6.624 1.00 0.00 C ATOM 898 O ARG A 56 -5.353 -2.805 5.746 1.00 0.00 O ATOM 899 CB ARG A 56 -6.753 -0.653 7.671 1.00 0.00 C ATOM 900 CG ARG A 56 -7.189 0.754 8.161 1.00 0.00 C ATOM 901 CD ARG A 56 -8.704 0.963 8.300 1.00 0.00 C ATOM 902 NE ARG A 56 -9.269 0.898 6.905 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.185 -0.009 6.555 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.030 -0.554 7.417 1.00 0.00 N ATOM 905 NH2 ARG A 56 -10.179 -0.499 5.317 1.00 0.00 N ATOM 0 H ARG A 56 -6.185 -0.671 4.850 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.710 -0.052 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.565 -1.093 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.594 -1.296 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.723 0.944 9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.799 1.499 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.146 0.195 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.923 1.925 8.764 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.942 1.566 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.000 -0.285 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.711 -1.243 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.479 -0.181 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.874 -1.192 5.039 1.00 0.00 H new ATOM 919 N PHE A 57 -3.939 -2.475 7.447 1.00 0.00 N ATOM 920 CA PHE A 57 -3.272 -3.767 7.373 1.00 0.00 C ATOM 921 C PHE A 57 -3.357 -4.422 8.744 1.00 0.00 C ATOM 922 O PHE A 57 -3.144 -3.767 9.761 1.00 0.00 O ATOM 923 CB PHE A 57 -1.790 -3.591 6.941 1.00 0.00 C ATOM 924 CG PHE A 57 -1.096 -4.918 6.797 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.479 -5.806 5.779 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.091 -5.308 7.698 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.861 -7.055 5.658 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.544 -6.550 7.565 1.00 0.00 C ATOM 929 CZ PHE A 57 0.162 -7.422 6.538 1.00 0.00 C ATOM 0 H PHE A 57 -3.583 -1.890 8.203 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.758 -4.397 6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.747 -3.052 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.265 -2.983 7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.256 -5.523 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.195 -4.644 8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.175 -7.738 4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.326 -6.834 8.253 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.656 -8.376 6.426 1.00 0.00 H new ATOM 939 N ASP A 58 -3.740 -5.722 8.810 1.00 0.00 N ATOM 940 CA ASP A 58 -4.116 -6.426 10.040 1.00 0.00 C ATOM 941 C ASP A 58 -5.411 -5.857 10.662 1.00 0.00 C ATOM 942 O ASP A 58 -5.822 -6.209 11.765 1.00 0.00 O ATOM 943 CB ASP A 58 -2.912 -6.497 11.040 1.00 0.00 C ATOM 944 CG ASP A 58 -3.128 -7.467 12.176 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.351 -8.673 11.906 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.056 -7.049 13.363 1.00 0.00 O ATOM 0 H ASP A 58 -3.794 -6.316 7.982 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.356 -7.457 9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.013 -6.784 10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.732 -5.503 11.451 1.00 0.00 H new ATOM 951 N GLY A 59 -6.090 -4.936 9.949 1.00 0.00 N ATOM 952 CA GLY A 59 -7.178 -4.119 10.472 1.00 0.00 C ATOM 953 C GLY A 59 -6.707 -2.763 10.947 1.00 0.00 C ATOM 954 O GLY A 59 -7.507 -1.854 11.149 1.00 0.00 O ATOM 0 H GLY A 59 -5.883 -4.743 8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.934 -3.987 9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.657 -4.644 11.299 1.00 0.00 H new ATOM 958 N GLN A 60 -5.388 -2.588 11.131 1.00 0.00 N ATOM 959 CA GLN A 60 -4.771 -1.455 11.793 1.00 0.00 C ATOM 960 C GLN A 60 -4.176 -0.450 10.808 1.00 0.00 C ATOM 961 O GLN A 60 -3.927 -0.805 9.656 1.00 0.00 O ATOM 962 CB GLN A 60 -3.630 -1.987 12.707 1.00 0.00 C ATOM 963 CG GLN A 60 -4.087 -3.039 13.746 1.00 0.00 C ATOM 964 CD GLN A 60 -5.150 -2.464 14.682 1.00 0.00 C ATOM 965 OE1 GLN A 60 -5.202 -1.252 14.916 1.00 0.00 O ATOM 966 NE2 GLN A 60 -6.016 -3.333 15.242 1.00 0.00 N ATOM 0 H GLN A 60 -4.703 -3.269 10.803 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.544 -0.939 12.362 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.853 -2.425 12.081 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.179 -1.146 13.233 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.486 -3.913 13.231 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.229 -3.376 14.328 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.949 -4.328 15.030 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.738 -2.995 15.878 1.00 0.00 H new ATOM 975 N PRO A 61 -3.900 0.805 11.155 1.00 0.00 N ATOM 976 CA PRO A 61 -3.093 1.681 10.304 1.00 0.00 C ATOM 977 C PRO A 61 -1.625 1.264 10.305 1.00 0.00 C ATOM 978 O PRO A 61 -1.167 0.595 11.234 1.00 0.00 O ATOM 979 CB PRO A 61 -3.297 3.067 10.941 1.00 0.00 C ATOM 980 CG PRO A 61 -3.531 2.765 12.424 1.00 0.00 C ATOM 981 CD PRO A 61 -4.325 1.458 12.397 1.00 0.00 C ATOM 0 HA PRO A 61 -3.386 1.651 9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.425 3.704 10.797 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.148 3.587 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.591 2.653 12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.088 3.564 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.105 0.840 13.267 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.399 1.644 12.402 1.00 0.00 H new ATOM 989 N ILE A 62 -0.872 1.632 9.253 1.00 0.00 N ATOM 990 CA ILE A 62 0.475 1.137 9.018 1.00 0.00 C ATOM 991 C ILE A 62 1.374 2.256 8.507 1.00 0.00 C ATOM 992 O ILE A 62 0.950 3.151 7.776 1.00 0.00 O ATOM 993 CB ILE A 62 0.456 -0.067 8.066 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.856 -0.701 7.870 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.209 0.307 6.719 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.823 -2.047 7.135 1.00 0.00 C ATOM 0 H ILE A 62 -1.194 2.288 8.542 1.00 0.00 H new ATOM 0 HA ILE A 62 0.891 0.791 9.964 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.153 -0.839 8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.485 -0.007 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.322 -0.840 8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.211 -0.562 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.235 0.630 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.350 1.117 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.838 -2.431 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.221 -2.757 7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.386 -1.911 6.146 1.00 0.00 H new ATOM 1008 N ASN A 63 2.656 2.254 8.918 1.00 0.00 N ATOM 1009 CA ASN A 63 3.654 3.243 8.558 1.00 0.00 C ATOM 1010 C ASN A 63 4.087 3.158 7.095 1.00 0.00 C ATOM 1011 O ASN A 63 4.779 2.228 6.687 1.00 0.00 O ATOM 1012 CB ASN A 63 4.939 3.066 9.416 1.00 0.00 C ATOM 1013 CG ASN A 63 4.629 3.100 10.909 1.00 0.00 C ATOM 1014 OD1 ASN A 63 3.970 2.203 11.445 1.00 0.00 O ATOM 1015 ND2 ASN A 63 5.136 4.126 11.618 1.00 0.00 N ATOM 0 H ASN A 63 3.026 1.529 9.533 1.00 0.00 H new ATOM 0 HA ASN A 63 3.177 4.207 8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.417 2.119 9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.650 3.856 9.174 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.980 4.177 12.625 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.676 4.853 11.148 1.00 0.00 H new ATOM 1022 N GLU A 64 3.737 4.159 6.260 1.00 0.00 N ATOM 1023 CA GLU A 64 4.123 4.194 4.858 1.00 0.00 C ATOM 1024 C GLU A 64 5.631 4.330 4.625 1.00 0.00 C ATOM 1025 O GLU A 64 6.175 3.793 3.664 1.00 0.00 O ATOM 1026 CB GLU A 64 3.345 5.307 4.099 1.00 0.00 C ATOM 1027 CG GLU A 64 3.746 6.761 4.461 1.00 0.00 C ATOM 1028 CD GLU A 64 2.791 7.792 3.888 1.00 0.00 C ATOM 1029 OE1 GLU A 64 2.687 7.949 2.647 1.00 0.00 O ATOM 1030 OE2 GLU A 64 2.148 8.498 4.715 1.00 0.00 O ATOM 0 H GLU A 64 3.178 4.961 6.552 1.00 0.00 H new ATOM 0 HA GLU A 64 3.850 3.219 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.491 5.163 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.280 5.182 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.779 6.865 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.752 6.959 4.091 1.00 0.00 H new ATOM 1037 N ASN A 65 6.353 5.031 5.525 1.00 0.00 N ATOM 1038 CA ASN A 65 7.792 5.245 5.459 1.00 0.00 C ATOM 1039 C ASN A 65 8.624 3.971 5.401 1.00 0.00 C ATOM 1040 O ASN A 65 9.583 3.893 4.635 1.00 0.00 O ATOM 1041 CB ASN A 65 8.294 6.048 6.689 1.00 0.00 C ATOM 1042 CG ASN A 65 8.171 7.544 6.449 1.00 0.00 C ATOM 1043 OD1 ASN A 65 7.400 8.026 5.607 1.00 0.00 O ATOM 1044 ND2 ASN A 65 8.996 8.317 7.184 1.00 0.00 N ATOM 0 H ASN A 65 5.925 5.473 6.339 1.00 0.00 H new ATOM 0 HA ASN A 65 7.930 5.790 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.717 5.769 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.334 5.793 6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.997 9.329 7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.619 7.890 7.869 1.00 0.00 H new ATOM 1051 N ASP A 66 8.309 2.974 6.237 1.00 0.00 N ATOM 1052 CA ASP A 66 9.109 1.790 6.407 1.00 0.00 C ATOM 1053 C ASP A 66 9.146 0.836 5.217 1.00 0.00 C ATOM 1054 O ASP A 66 8.300 0.815 4.320 1.00 0.00 O ATOM 1055 CB ASP A 66 8.646 1.034 7.672 1.00 0.00 C ATOM 1056 CG ASP A 66 8.972 1.840 8.901 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.291 2.863 9.174 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.930 1.455 9.621 1.00 0.00 O ATOM 0 H ASP A 66 7.471 2.983 6.818 1.00 0.00 H new ATOM 0 HA ASP A 66 10.133 2.150 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.573 0.848 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.136 0.062 7.724 1.00 0.00 H new ATOM 1063 N THR A 67 10.197 0.007 5.217 1.00 0.00 N ATOM 1064 CA THR A 67 10.406 -1.142 4.356 1.00 0.00 C ATOM 1065 C THR A 67 9.843 -2.362 5.080 1.00 0.00 C ATOM 1066 O THR A 67 9.688 -2.317 6.302 1.00 0.00 O ATOM 1067 CB THR A 67 11.899 -1.342 4.086 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.633 -1.205 5.294 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.389 -0.242 3.136 1.00 0.00 C ATOM 0 H THR A 67 10.972 0.139 5.867 1.00 0.00 H new ATOM 0 HA THR A 67 9.909 -0.993 3.398 1.00 0.00 H new ATOM 0 HB THR A 67 12.045 -2.334 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.587 -1.336 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.452 -0.378 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.836 -0.298 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.227 0.734 3.595 1.00 0.00 H new ATOM 1077 N PRO A 68 9.505 -3.481 4.448 1.00 0.00 N ATOM 1078 CA PRO A 68 8.793 -4.572 5.126 1.00 0.00 C ATOM 1079 C PRO A 68 9.673 -5.355 6.092 1.00 0.00 C ATOM 1080 O PRO A 68 9.181 -6.226 6.803 1.00 0.00 O ATOM 1081 CB PRO A 68 8.303 -5.454 3.960 1.00 0.00 C ATOM 1082 CG PRO A 68 9.262 -5.145 2.809 1.00 0.00 C ATOM 1083 CD PRO A 68 9.521 -3.653 2.995 1.00 0.00 C ATOM 0 HA PRO A 68 7.987 -4.200 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.330 -6.511 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.273 -5.219 3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.180 -5.729 2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.816 -5.363 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.478 -3.355 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.753 -3.049 2.511 1.00 0.00 H new ATOM 1091 N THR A 69 10.975 -5.049 6.164 1.00 0.00 N ATOM 1092 CA THR A 69 11.908 -5.666 7.099 1.00 0.00 C ATOM 1093 C THR A 69 11.720 -5.139 8.517 1.00 0.00 C ATOM 1094 O THR A 69 11.840 -5.895 9.479 1.00 0.00 O ATOM 1095 CB THR A 69 13.354 -5.574 6.613 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.278 -6.242 7.458 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.827 -4.136 6.425 1.00 0.00 C ATOM 0 H THR A 69 11.411 -4.352 5.560 1.00 0.00 H new ATOM 0 HA THR A 69 11.673 -6.730 7.136 1.00 0.00 H new ATOM 0 HB THR A 69 13.336 -6.078 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.183 -6.148 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.861 -4.135 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.197 -3.639 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.762 -3.604 7.374 1.00 0.00 H new ATOM 1105 N SER A 70 11.311 -3.856 8.700 1.00 0.00 N ATOM 1106 CA SER A 70 10.992 -3.270 10.008 1.00 0.00 C ATOM 1107 C SER A 70 9.955 -4.058 10.792 1.00 0.00 C ATOM 1108 O SER A 70 10.005 -4.163 12.013 1.00 0.00 O ATOM 1109 CB SER A 70 10.391 -1.835 9.927 1.00 0.00 C ATOM 1110 OG SER A 70 11.282 -0.907 9.311 1.00 0.00 O ATOM 0 H SER A 70 11.195 -3.200 7.927 1.00 0.00 H new ATOM 0 HA SER A 70 11.966 -3.274 10.497 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.457 -1.866 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.147 -1.489 10.931 1.00 0.00 H new ATOM 0 HG SER A 70 10.900 -0.006 9.358 1.00 0.00 H new ATOM 1116 N LEU A 71 8.977 -4.640 10.077 1.00 0.00 N ATOM 1117 CA LEU A 71 7.853 -5.351 10.646 1.00 0.00 C ATOM 1118 C LEU A 71 8.058 -6.867 10.658 1.00 0.00 C ATOM 1119 O LEU A 71 7.161 -7.614 11.049 1.00 0.00 O ATOM 1120 CB LEU A 71 6.591 -5.055 9.793 1.00 0.00 C ATOM 1121 CG LEU A 71 6.326 -3.564 9.486 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.095 -3.433 8.578 1.00 0.00 C ATOM 1123 CD2 LEU A 71 6.138 -2.717 10.753 1.00 0.00 C ATOM 0 H LEU A 71 8.960 -4.620 9.057 1.00 0.00 H new ATOM 0 HA LEU A 71 7.745 -5.011 11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.679 -5.592 8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.722 -5.461 10.310 1.00 0.00 H new ATOM 0 HG LEU A 71 7.210 -3.179 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.911 -2.380 8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.273 -3.968 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.226 -3.858 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.955 -1.679 10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.288 -3.095 11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.038 -2.775 11.366 1.00 0.00 H new ATOM 1135 N GLU A 72 9.226 -7.356 10.188 1.00 0.00 N ATOM 1136 CA GLU A 72 9.480 -8.746 9.810 1.00 0.00 C ATOM 1137 C GLU A 72 8.392 -9.376 8.938 1.00 0.00 C ATOM 1138 O GLU A 72 7.757 -10.359 9.322 1.00 0.00 O ATOM 1139 CB GLU A 72 9.778 -9.701 10.996 1.00 0.00 C ATOM 1140 CG GLU A 72 11.043 -9.370 11.818 1.00 0.00 C ATOM 1141 CD GLU A 72 11.488 -10.543 12.677 1.00 0.00 C ATOM 1142 OE1 GLU A 72 10.873 -11.639 12.644 1.00 0.00 O ATOM 1143 OE2 GLU A 72 12.534 -10.391 13.372 1.00 0.00 O ATOM 0 H GLU A 72 10.045 -6.762 10.060 1.00 0.00 H new ATOM 0 HA GLU A 72 10.388 -8.645 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.919 -9.697 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.874 -10.715 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.851 -9.089 11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.846 -8.508 12.456 1.00 0.00 H new ATOM 1150 N MET A 73 8.144 -8.816 7.744 1.00 0.00 N ATOM 1151 CA MET A 73 7.113 -9.321 6.855 1.00 0.00 C ATOM 1152 C MET A 73 7.612 -10.449 5.942 1.00 0.00 C ATOM 1153 O MET A 73 8.798 -10.781 5.900 1.00 0.00 O ATOM 1154 CB MET A 73 6.421 -8.151 6.112 1.00 0.00 C ATOM 1155 CG MET A 73 4.919 -8.014 6.452 1.00 0.00 C ATOM 1156 SD MET A 73 4.542 -7.696 8.199 1.00 0.00 S ATOM 1157 CE MET A 73 3.449 -9.137 8.385 1.00 0.00 C ATOM 0 H MET A 73 8.652 -8.010 7.380 1.00 0.00 H new ATOM 0 HA MET A 73 6.344 -9.802 7.459 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.929 -7.220 6.362 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.531 -8.296 5.037 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.501 -7.204 5.854 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.410 -8.929 6.149 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.068 -9.176 9.406 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.614 -9.053 7.689 1.00 0.00 H new ATOM 0 HE3 MET A 73 4.008 -10.048 8.172 1.00 0.00 H new ATOM 1167 N GLU A 74 6.687 -11.107 5.228 1.00 0.00 N ATOM 1168 CA GLU A 74 6.885 -12.415 4.624 1.00 0.00 C ATOM 1169 C GLU A 74 6.403 -12.390 3.183 1.00 0.00 C ATOM 1170 O GLU A 74 7.178 -12.070 2.291 1.00 0.00 O ATOM 1171 CB GLU A 74 6.168 -13.511 5.460 1.00 0.00 C ATOM 1172 CG GLU A 74 6.818 -13.708 6.855 1.00 0.00 C ATOM 1173 CD GLU A 74 6.201 -14.835 7.653 1.00 0.00 C ATOM 1174 OE1 GLU A 74 5.119 -15.362 7.292 1.00 0.00 O ATOM 1175 OE2 GLU A 74 6.827 -15.258 8.664 1.00 0.00 O ATOM 0 H GLU A 74 5.757 -10.725 5.055 1.00 0.00 H new ATOM 0 HA GLU A 74 7.947 -12.659 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.119 -13.241 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.191 -14.454 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.883 -13.904 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.731 -12.781 7.422 1.00 0.00 H new ATOM 1182 N GLU A 75 5.116 -12.711 2.938 1.00 0.00 N ATOM 1183 CA GLU A 75 4.390 -12.270 1.758 1.00 0.00 C ATOM 1184 C GLU A 75 2.910 -12.579 1.920 1.00 0.00 C ATOM 1185 O GLU A 75 2.495 -13.273 2.848 1.00 0.00 O ATOM 1186 CB GLU A 75 4.866 -12.851 0.398 1.00 0.00 C ATOM 1187 CG GLU A 75 4.686 -14.377 0.221 1.00 0.00 C ATOM 1188 CD GLU A 75 4.845 -14.799 -1.225 1.00 0.00 C ATOM 1189 OE1 GLU A 75 5.060 -13.941 -2.115 1.00 0.00 O ATOM 1190 OE2 GLU A 75 4.712 -16.023 -1.496 1.00 0.00 O ATOM 0 H GLU A 75 4.558 -13.289 3.567 1.00 0.00 H new ATOM 0 HA GLU A 75 4.594 -11.200 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.325 -12.345 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.922 -12.611 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.417 -14.903 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.699 -14.670 0.579 1.00 0.00 H new ATOM 1197 N GLY A 76 2.073 -12.081 0.986 1.00 0.00 N ATOM 1198 CA GLY A 76 0.658 -12.413 0.887 1.00 0.00 C ATOM 1199 C GLY A 76 -0.208 -11.363 1.511 1.00 0.00 C ATOM 1200 O GLY A 76 -1.358 -11.624 1.867 1.00 0.00 O ATOM 0 H GLY A 76 2.380 -11.423 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.386 -12.532 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.475 -13.371 1.374 1.00 0.00 H new ATOM 1204 N ASP A 77 0.333 -10.152 1.655 1.00 0.00 N ATOM 1205 CA ASP A 77 -0.185 -9.067 2.454 1.00 0.00 C ATOM 1206 C ASP A 77 -1.528 -8.518 2.003 1.00 0.00 C ATOM 1207 O ASP A 77 -1.627 -7.743 1.056 1.00 0.00 O ATOM 1208 CB ASP A 77 0.849 -7.912 2.465 1.00 0.00 C ATOM 1209 CG ASP A 77 2.197 -8.442 2.863 1.00 0.00 C ATOM 1210 OD1 ASP A 77 2.871 -9.067 1.999 1.00 0.00 O ATOM 1211 OD2 ASP A 77 2.584 -8.284 4.047 1.00 0.00 O ATOM 0 H ASP A 77 1.200 -9.898 1.182 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.352 -9.485 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.905 -7.452 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.533 -7.135 3.161 1.00 0.00 H new ATOM 1216 N THR A 78 -2.613 -8.907 2.693 1.00 0.00 N ATOM 1217 CA THR A 78 -3.953 -8.404 2.430 1.00 0.00 C ATOM 1218 C THR A 78 -4.179 -7.050 3.068 1.00 0.00 C ATOM 1219 O THR A 78 -4.396 -6.939 4.276 1.00 0.00 O ATOM 1220 CB THR A 78 -5.050 -9.333 2.926 1.00 0.00 C ATOM 1221 OG1 THR A 78 -4.884 -9.650 4.307 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.977 -10.645 2.137 1.00 0.00 C ATOM 0 H THR A 78 -2.574 -9.586 3.454 1.00 0.00 H new ATOM 0 HA THR A 78 -4.012 -8.331 1.344 1.00 0.00 H new ATOM 0 HB THR A 78 -6.006 -8.828 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.638 -8.840 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.759 -11.321 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.118 -10.440 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.002 -11.108 2.291 1.00 0.00 H new ATOM 1230 N ILE A 79 -4.144 -5.974 2.268 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.411 -4.632 2.744 1.00 0.00 C ATOM 1232 C ILE A 79 -5.833 -4.223 2.365 1.00 0.00 C ATOM 1233 O ILE A 79 -6.228 -4.230 1.197 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.317 -3.651 2.308 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.383 -2.326 3.094 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.297 -3.437 0.782 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.132 -1.461 2.909 1.00 0.00 C ATOM 0 H ILE A 79 -3.928 -6.023 1.272 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.369 -4.609 3.833 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.362 -4.111 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.259 -1.762 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.515 -2.544 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.505 -2.734 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.114 -4.389 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.258 -3.036 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.237 -0.542 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.256 -2.009 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.012 -1.215 1.854 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.675 -3.898 3.371 1.00 0.00 N ATOM 1250 CA GLU A 80 -8.055 -3.515 3.159 1.00 0.00 C ATOM 1251 C GLU A 80 -8.163 -2.009 2.982 1.00 0.00 C ATOM 1252 O GLU A 80 -7.835 -1.197 3.855 1.00 0.00 O ATOM 1253 CB GLU A 80 -9.029 -4.014 4.263 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.597 -3.709 5.723 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.729 -3.365 6.679 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.859 -3.028 6.230 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -9.470 -3.319 7.909 1.00 0.00 O ATOM 0 H GLU A 80 -6.397 -3.900 4.352 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.371 -4.016 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.007 -3.565 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.150 -5.092 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.064 -4.575 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.891 -2.879 5.709 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.593 -1.575 1.791 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.595 -0.181 1.411 1.00 0.00 C ATOM 1266 C VAL A 81 -10.009 0.361 1.317 1.00 0.00 C ATOM 1267 O VAL A 81 -10.778 0.035 0.411 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.855 0.045 0.104 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -7.683 1.553 -0.127 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.466 -0.623 0.175 1.00 0.00 C ATOM 0 H VAL A 81 -8.950 -2.198 1.066 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.068 0.364 2.194 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.425 -0.390 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.152 1.719 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.663 2.028 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.112 1.984 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.936 -0.460 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.895 -0.188 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.585 -1.693 0.344 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.392 1.247 2.254 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.697 1.874 2.206 1.00 0.00 C ATOM 1282 C TYR A 82 -11.635 3.101 1.294 1.00 0.00 C ATOM 1283 O TYR A 82 -11.284 4.206 1.709 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.224 2.209 3.631 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.715 2.036 3.699 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.257 0.774 3.996 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.582 3.105 3.427 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.645 0.577 3.996 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.972 2.912 3.436 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.503 1.644 3.705 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.896 1.431 3.642 1.00 0.00 O ATOM 0 H TYR A 82 -9.812 1.534 3.042 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.418 1.175 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.744 1.561 4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.959 3.234 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.599 -0.051 4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.177 4.082 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.052 -0.398 4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.633 3.742 3.235 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.347 2.275 3.431 1.00 0.00 H new ATOM 1301 N GLN A 83 -11.935 2.903 -0.004 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.007 3.969 -0.989 1.00 0.00 C ATOM 1303 C GLN A 83 -13.389 4.608 -0.979 1.00 0.00 C ATOM 1304 O GLN A 83 -14.411 3.925 -0.971 1.00 0.00 O ATOM 1305 CB GLN A 83 -11.658 3.453 -2.409 1.00 0.00 C ATOM 1306 CG GLN A 83 -10.250 2.814 -2.486 1.00 0.00 C ATOM 1307 CD GLN A 83 -9.784 2.559 -3.921 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -8.893 3.245 -4.431 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -10.365 1.550 -4.593 1.00 0.00 N ATOM 0 H GLN A 83 -12.135 1.981 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.268 4.724 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.402 2.719 -2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.715 4.281 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.533 3.467 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.255 1.871 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.099 0.998 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.072 1.337 -5.546 1.00 0.00 H new ATOM 1318 N GLN A 84 -13.448 5.951 -0.934 1.00 0.00 N ATOM 1319 CA GLN A 84 -14.688 6.682 -0.705 1.00 0.00 C ATOM 1320 C GLN A 84 -15.498 6.995 -1.978 1.00 0.00 C ATOM 1321 O GLN A 84 -15.527 6.202 -2.917 1.00 0.00 O ATOM 1322 CB GLN A 84 -14.363 7.927 0.160 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.337 8.109 1.341 1.00 0.00 C ATOM 1324 CD GLN A 84 -14.958 9.336 2.165 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -14.168 9.276 3.101 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -15.527 10.498 1.775 1.00 0.00 N ATOM 0 H GLN A 84 -12.633 6.552 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.374 6.034 -0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.347 7.841 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.392 8.817 -0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.355 8.216 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.321 7.221 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.180 10.508 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.304 11.365 2.264 1.00 0.00 H new ATOM 1335 N GLN A 85 -16.223 8.139 -2.052 1.00 0.00 N ATOM 1336 CA GLN A 85 -17.041 8.470 -3.215 1.00 0.00 C ATOM 1337 C GLN A 85 -16.242 9.079 -4.362 1.00 0.00 C ATOM 1338 O GLN A 85 -15.191 9.692 -4.171 1.00 0.00 O ATOM 1339 CB GLN A 85 -18.204 9.458 -2.909 1.00 0.00 C ATOM 1340 CG GLN A 85 -19.140 9.062 -1.744 1.00 0.00 C ATOM 1341 CD GLN A 85 -18.639 9.570 -0.395 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -17.502 10.054 -0.261 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -19.494 9.507 0.638 1.00 0.00 N ATOM 0 H GLN A 85 -16.249 8.840 -1.312 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.446 7.500 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.775 10.436 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.806 9.570 -3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -20.137 9.461 -1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.232 7.976 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -20.423 9.106 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.215 9.860 1.553 1.00 0.00 H new ATOM 1352 N THR A 86 -16.772 8.932 -5.590 1.00 0.00 N ATOM 1353 CA THR A 86 -16.193 9.374 -6.856 1.00 0.00 C ATOM 1354 C THR A 86 -14.940 8.613 -7.211 1.00 0.00 C ATOM 1355 O THR A 86 -13.807 9.024 -6.945 1.00 0.00 O ATOM 1356 CB THR A 86 -16.058 10.889 -7.029 1.00 0.00 C ATOM 1357 OG1 THR A 86 -17.351 11.466 -7.128 1.00 0.00 O ATOM 1358 CG2 THR A 86 -15.326 11.327 -8.306 1.00 0.00 C ATOM 0 H THR A 86 -17.672 8.472 -5.725 1.00 0.00 H new ATOM 0 HA THR A 86 -16.944 9.112 -7.601 1.00 0.00 H new ATOM 0 HB THR A 86 -15.484 11.217 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.269 12.436 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.278 12.415 -8.343 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.315 10.919 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.864 10.958 -9.179 1.00 0.00 H new ATOM 1366 N GLY A 87 -15.140 7.443 -7.860 1.00 0.00 N ATOM 1367 CA GLY A 87 -14.081 6.689 -8.518 1.00 0.00 C ATOM 1368 C GLY A 87 -13.864 7.199 -9.923 1.00 0.00 C ATOM 1369 O GLY A 87 -14.325 8.275 -10.292 1.00 0.00 O ATOM 0 H GLY A 87 -16.057 7.002 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.157 6.775 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -14.342 5.631 -8.545 1.00 0.00 H new ATOM 1373 N GLY A 88 -13.153 6.443 -10.765 1.00 0.00 N ATOM 1374 CA GLY A 88 -12.844 6.910 -12.100 1.00 0.00 C ATOM 1375 C GLY A 88 -12.244 5.796 -12.955 1.00 0.00 C ATOM 1376 O GLY A 88 -12.220 4.618 -12.527 1.00 0.00 O ATOM 1377 OXT GLY A 88 -11.793 6.095 -14.088 1.00 0.00 O ATOM 0 H GLY A 88 -12.789 5.517 -10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.750 7.287 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.144 7.744 -12.043 1.00 0.00 H new TER 1381 GLY A 88