USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 13 MET CE :methyl -167:sc= -0.948 (180deg=-1.15) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.079 K(o=-1,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.873 (180deg=-0.446!) USER MOD Single : A 14 THR OG1 : rot -34:sc= 0.809 USER MOD Single : A 17 SER OG : rot 118:sc= 0.449 USER MOD Single : A 20 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0251) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 27 THR OG1 : rot 10:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.0962 K(o=0.096,f=-5.2!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 34:sc= -0.567 USER MOD Single : A 36 SER OG : rot 25:sc= 1.29 USER MOD Single : A 41 THR OG1 : rot -47:sc= 0.0206 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 1.11 (180deg=-0.446!) USER MOD Single : A 45 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-2.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc=-0.00578 USER MOD Single : A 60 HIS : no HE2:sc= 0.682 K(o=0.68,f=-13!) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.999 USER MOD Single : A 64 SER OG : rot 73:sc= 1.21 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.608) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.529 -7.705 -12.920 1.00 6.69 N ATOM 2 CA MET A 1 -14.768 -8.447 -12.634 1.00 5.43 C ATOM 3 C MET A 1 -15.082 -8.474 -11.133 1.00 4.01 C ATOM 4 O MET A 1 -16.201 -8.152 -10.744 1.00 4.58 O ATOM 5 CB MET A 1 -14.696 -9.886 -13.169 1.00 5.59 C ATOM 6 CG MET A 1 -14.574 -9.975 -14.695 1.00 7.04 C ATOM 7 SD MET A 1 -14.576 -11.676 -15.314 1.00 7.87 S ATOM 8 CE MET A 1 -14.426 -11.379 -17.089 1.00 9.66 C ATOM 0 H1 MET A 1 -13.481 -7.489 -13.936 1.00 6.69 H new ATOM 0 H2 MET A 1 -13.522 -6.818 -12.376 1.00 6.69 H new ATOM 0 H3 MET A 1 -12.708 -8.283 -12.650 1.00 6.69 H new ATOM 0 HA MET A 1 -15.572 -7.918 -13.147 1.00 5.43 H new ATOM 0 HB2 MET A 1 -13.842 -10.390 -12.716 1.00 5.59 H new ATOM 0 HB3 MET A 1 -15.589 -10.426 -12.853 1.00 5.59 H new ATOM 0 HG2 MET A 1 -15.399 -9.428 -15.151 1.00 7.04 H new ATOM 0 HG3 MET A 1 -13.654 -9.482 -15.009 1.00 7.04 H new ATOM 0 HE1 MET A 1 -14.413 -12.332 -17.618 1.00 9.66 H new ATOM 0 HE2 MET A 1 -15.274 -10.786 -17.432 1.00 9.66 H new ATOM 0 HE3 MET A 1 -13.501 -10.839 -17.291 1.00 9.66 H new ATOM 20 N GLY A 2 -14.115 -8.872 -10.302 1.00 2.95 N ATOM 21 CA GLY A 2 -14.268 -9.000 -8.858 1.00 2.81 C ATOM 22 C GLY A 2 -12.992 -8.466 -8.227 1.00 2.22 C ATOM 23 O GLY A 2 -12.211 -9.214 -7.648 1.00 2.41 O ATOM 0 H GLY A 2 -13.181 -9.120 -10.628 1.00 2.95 H new ATOM 0 HA2 GLY A 2 -15.135 -8.438 -8.511 1.00 2.81 H new ATOM 0 HA3 GLY A 2 -14.430 -10.041 -8.578 1.00 2.81 H new ATOM 27 N ASP A 3 -12.759 -7.170 -8.431 1.00 2.54 N ATOM 28 CA ASP A 3 -11.451 -6.545 -8.366 1.00 2.01 C ATOM 29 C ASP A 3 -11.674 -5.052 -8.142 1.00 1.94 C ATOM 30 O ASP A 3 -12.707 -4.510 -8.532 1.00 2.63 O ATOM 31 CB ASP A 3 -10.650 -6.826 -9.653 1.00 1.91 C ATOM 32 CG ASP A 3 -11.528 -7.089 -10.869 1.00 3.18 C ATOM 33 OD1 ASP A 3 -12.184 -6.154 -11.380 1.00 4.13 O ATOM 34 OD2 ASP A 3 -11.657 -8.270 -11.270 1.00 4.13 O ATOM 0 H ASP A 3 -13.504 -6.510 -8.653 1.00 2.54 H new ATOM 0 HA ASP A 3 -10.860 -6.954 -7.546 1.00 2.01 H new ATOM 0 HB2 ASP A 3 -10.001 -5.975 -9.861 1.00 1.91 H new ATOM 0 HB3 ASP A 3 -10.003 -7.688 -9.488 1.00 1.91 H new ATOM 39 N GLY A 4 -10.728 -4.401 -7.463 1.00 1.73 N ATOM 40 CA GLY A 4 -10.841 -3.005 -7.084 1.00 2.06 C ATOM 41 C GLY A 4 -9.547 -2.573 -6.403 1.00 1.41 C ATOM 42 O GLY A 4 -9.168 -3.145 -5.385 1.00 2.22 O ATOM 0 H GLY A 4 -9.857 -4.838 -7.161 1.00 1.73 H new ATOM 0 HA2 GLY A 4 -11.028 -2.389 -7.964 1.00 2.06 H new ATOM 0 HA3 GLY A 4 -11.687 -2.864 -6.411 1.00 2.06 H new ATOM 46 N VAL A 5 -8.849 -1.594 -6.982 1.00 1.31 N ATOM 47 CA VAL A 5 -7.618 -1.068 -6.409 1.00 1.05 C ATOM 48 C VAL A 5 -7.987 -0.060 -5.323 1.00 1.00 C ATOM 49 O VAL A 5 -8.925 0.710 -5.517 1.00 1.45 O ATOM 50 CB VAL A 5 -6.723 -0.458 -7.508 1.00 1.80 C ATOM 51 CG1 VAL A 5 -6.634 -1.390 -8.725 1.00 2.85 C ATOM 52 CG2 VAL A 5 -7.177 0.925 -7.997 1.00 2.29 C ATOM 0 H VAL A 5 -9.123 -1.148 -7.857 1.00 1.31 H new ATOM 0 HA VAL A 5 -7.034 -1.868 -5.954 1.00 1.05 H new ATOM 0 HB VAL A 5 -5.749 -0.337 -7.033 1.00 1.80 H new ATOM 0 HG11 VAL A 5 -5.997 -0.937 -9.485 1.00 2.85 H new ATOM 0 HG12 VAL A 5 -6.210 -2.347 -8.420 1.00 2.85 H new ATOM 0 HG13 VAL A 5 -7.631 -1.549 -9.135 1.00 2.85 H new ATOM 0 HG21 VAL A 5 -6.494 1.281 -8.768 1.00 2.29 H new ATOM 0 HG22 VAL A 5 -8.183 0.853 -8.409 1.00 2.29 H new ATOM 0 HG23 VAL A 5 -7.177 1.625 -7.161 1.00 2.29 H new ATOM 62 N LEU A 6 -7.269 -0.052 -4.196 1.00 0.72 N ATOM 63 CA LEU A 6 -7.415 0.978 -3.176 1.00 0.69 C ATOM 64 C LEU A 6 -6.161 1.841 -3.168 1.00 0.60 C ATOM 65 O LEU A 6 -5.083 1.367 -3.531 1.00 0.64 O ATOM 66 CB LEU A 6 -7.654 0.363 -1.792 1.00 0.80 C ATOM 67 CG LEU A 6 -9.127 -0.003 -1.550 1.00 1.73 C ATOM 68 CD1 LEU A 6 -9.597 -1.217 -2.359 1.00 3.00 C ATOM 69 CD2 LEU A 6 -9.347 -0.243 -0.052 1.00 2.09 C ATOM 0 H LEU A 6 -6.572 -0.761 -3.970 1.00 0.72 H new ATOM 0 HA LEU A 6 -8.285 1.591 -3.411 1.00 0.69 H new ATOM 0 HB2 LEU A 6 -7.040 -0.531 -1.686 1.00 0.80 H new ATOM 0 HB3 LEU A 6 -7.328 1.066 -1.026 1.00 0.80 H new ATOM 0 HG LEU A 6 -9.728 0.838 -1.895 1.00 1.73 H new ATOM 0 HD11 LEU A 6 -10.645 -1.418 -2.138 1.00 3.00 H new ATOM 0 HD12 LEU A 6 -9.483 -1.011 -3.423 1.00 3.00 H new ATOM 0 HD13 LEU A 6 -8.997 -2.087 -2.091 1.00 3.00 H new ATOM 0 HD21 LEU A 6 -10.391 -0.503 0.125 1.00 2.09 H new ATOM 0 HD22 LEU A 6 -8.707 -1.059 0.283 1.00 2.09 H new ATOM 0 HD23 LEU A 6 -9.100 0.663 0.502 1.00 2.09 H new ATOM 81 N GLU A 7 -6.311 3.099 -2.741 1.00 0.62 N ATOM 82 CA GLU A 7 -5.221 4.045 -2.608 1.00 0.60 C ATOM 83 C GLU A 7 -5.203 4.645 -1.199 1.00 0.56 C ATOM 84 O GLU A 7 -6.250 4.989 -0.644 1.00 0.92 O ATOM 85 CB GLU A 7 -5.337 5.146 -3.662 1.00 0.73 C ATOM 86 CG GLU A 7 -5.089 4.707 -5.109 1.00 0.90 C ATOM 87 CD GLU A 7 -4.574 5.886 -5.924 1.00 1.45 C ATOM 88 OE1 GLU A 7 -5.090 7.011 -5.739 1.00 1.95 O ATOM 89 OE2 GLU A 7 -3.540 5.746 -6.615 1.00 2.64 O ATOM 0 H GLU A 7 -7.216 3.487 -2.475 1.00 0.62 H new ATOM 0 HA GLU A 7 -4.281 3.516 -2.768 1.00 0.60 H new ATOM 0 HB2 GLU A 7 -6.335 5.581 -3.599 1.00 0.73 H new ATOM 0 HB3 GLU A 7 -4.629 5.937 -3.415 1.00 0.73 H new ATOM 0 HG2 GLU A 7 -4.365 3.893 -5.133 1.00 0.90 H new ATOM 0 HG3 GLU A 7 -6.012 4.326 -5.546 1.00 0.90 H new ATOM 96 N LEU A 8 -4.004 4.788 -0.632 1.00 0.53 N ATOM 97 CA LEU A 8 -3.789 5.334 0.701 1.00 0.64 C ATOM 98 C LEU A 8 -2.521 6.183 0.689 1.00 0.54 C ATOM 99 O LEU A 8 -1.524 5.817 0.069 1.00 0.48 O ATOM 100 CB LEU A 8 -3.727 4.236 1.786 1.00 0.80 C ATOM 101 CG LEU A 8 -3.210 2.878 1.285 1.00 0.75 C ATOM 102 CD1 LEU A 8 -2.643 2.080 2.463 1.00 1.12 C ATOM 103 CD2 LEU A 8 -4.328 2.066 0.603 1.00 1.43 C ATOM 0 H LEU A 8 -3.139 4.520 -1.101 1.00 0.53 H new ATOM 0 HA LEU A 8 -4.643 5.959 0.962 1.00 0.64 H new ATOM 0 HB2 LEU A 8 -3.084 4.579 2.597 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -4.724 4.100 2.205 1.00 0.80 H new ATOM 0 HG LEU A 8 -2.429 3.064 0.548 1.00 0.75 H new ATOM 0 HD11 LEU A 8 -2.276 1.117 2.107 1.00 1.12 H new ATOM 0 HD12 LEU A 8 -1.822 2.635 2.917 1.00 1.12 H new ATOM 0 HD13 LEU A 8 -3.426 1.919 3.204 1.00 1.12 H new ATOM 0 HD21 LEU A 8 -3.928 1.112 0.261 1.00 1.43 H new ATOM 0 HD22 LEU A 8 -5.134 1.887 1.315 1.00 1.43 H new ATOM 0 HD23 LEU A 8 -4.715 2.624 -0.250 1.00 1.43 H new ATOM 115 N VAL A 9 -2.556 7.309 1.396 1.00 0.56 N ATOM 116 CA VAL A 9 -1.416 8.177 1.612 1.00 0.56 C ATOM 117 C VAL A 9 -0.573 7.474 2.669 1.00 0.43 C ATOM 118 O VAL A 9 -1.116 7.073 3.697 1.00 0.61 O ATOM 119 CB VAL A 9 -1.868 9.565 2.102 1.00 0.82 C ATOM 120 CG1 VAL A 9 -0.681 10.536 2.075 1.00 1.04 C ATOM 121 CG2 VAL A 9 -2.990 10.139 1.230 1.00 1.18 C ATOM 0 H VAL A 9 -3.407 7.648 1.845 1.00 0.56 H new ATOM 0 HA VAL A 9 -0.855 8.346 0.693 1.00 0.56 H new ATOM 0 HB VAL A 9 -2.245 9.446 3.118 1.00 0.82 H new ATOM 0 HG11 VAL A 9 -1.005 11.517 2.422 1.00 1.04 H new ATOM 0 HG12 VAL A 9 0.109 10.163 2.727 1.00 1.04 H new ATOM 0 HG13 VAL A 9 -0.302 10.619 1.056 1.00 1.04 H new ATOM 0 HG21 VAL A 9 -3.280 11.119 1.609 1.00 1.18 H new ATOM 0 HG22 VAL A 9 -2.639 10.237 0.203 1.00 1.18 H new ATOM 0 HG23 VAL A 9 -3.850 9.470 1.257 1.00 1.18 H new ATOM 131 N VAL A 10 0.715 7.269 2.391 1.00 0.56 N ATOM 132 CA VAL A 10 1.639 6.542 3.232 1.00 0.47 C ATOM 133 C VAL A 10 2.695 7.534 3.725 1.00 0.53 C ATOM 134 O VAL A 10 3.735 7.722 3.097 1.00 0.57 O ATOM 135 CB VAL A 10 2.209 5.346 2.451 1.00 0.41 C ATOM 136 CG1 VAL A 10 1.173 4.216 2.387 1.00 0.59 C ATOM 137 CG2 VAL A 10 2.658 5.667 1.021 1.00 0.65 C ATOM 0 H VAL A 10 1.150 7.622 1.539 1.00 0.56 H new ATOM 0 HA VAL A 10 1.156 6.114 4.111 1.00 0.47 H new ATOM 0 HB VAL A 10 3.100 5.049 3.004 1.00 0.41 H new ATOM 0 HG11 VAL A 10 1.587 3.374 1.832 1.00 0.59 H new ATOM 0 HG12 VAL A 10 0.921 3.896 3.398 1.00 0.59 H new ATOM 0 HG13 VAL A 10 0.274 4.575 1.886 1.00 0.59 H new ATOM 0 HG21 VAL A 10 3.045 4.764 0.550 1.00 0.65 H new ATOM 0 HG22 VAL A 10 1.809 6.040 0.448 1.00 0.65 H new ATOM 0 HG23 VAL A 10 3.440 6.426 1.047 1.00 0.65 H new ATOM 147 N ARG A 11 2.431 8.200 4.852 1.00 0.64 N ATOM 148 CA ARG A 11 3.323 9.263 5.297 1.00 0.76 C ATOM 149 C ARG A 11 4.565 8.627 5.919 1.00 0.76 C ATOM 150 O ARG A 11 4.452 7.653 6.663 1.00 0.86 O ATOM 151 CB ARG A 11 2.659 10.195 6.318 1.00 1.04 C ATOM 152 CG ARG A 11 1.356 10.836 5.820 1.00 1.13 C ATOM 153 CD ARG A 11 0.741 11.743 6.898 1.00 1.74 C ATOM 154 NE ARG A 11 1.669 12.819 7.303 1.00 3.13 N ATOM 155 CZ ARG A 11 2.413 12.851 8.426 1.00 4.40 C ATOM 156 NH1 ARG A 11 2.169 12.023 9.436 1.00 4.76 N ATOM 157 NH2 ARG A 11 3.425 13.717 8.533 1.00 5.96 N ATOM 0 H ARG A 11 1.628 8.026 5.456 1.00 0.64 H new ATOM 0 HA ARG A 11 3.585 9.870 4.431 1.00 0.76 H new ATOM 0 HB2 ARG A 11 2.451 9.632 7.228 1.00 1.04 H new ATOM 0 HB3 ARG A 11 3.362 10.984 6.586 1.00 1.04 H new ATOM 0 HG2 ARG A 11 1.554 11.418 4.920 1.00 1.13 H new ATOM 0 HG3 ARG A 11 0.645 10.057 5.546 1.00 1.13 H new ATOM 0 HD2 ARG A 11 -0.182 12.182 6.520 1.00 1.74 H new ATOM 0 HD3 ARG A 11 0.476 11.144 7.769 1.00 1.74 H new ATOM 0 HE ARG A 11 1.755 13.615 6.671 1.00 3.13 H new ATOM 0 HH11 ARG A 11 1.407 11.348 9.369 1.00 4.76 H new ATOM 0 HH12 ARG A 11 2.743 12.062 10.278 1.00 4.76 H new ATOM 0 HH21 ARG A 11 3.634 14.354 7.764 1.00 5.96 H new ATOM 0 HH22 ARG A 11 3.988 13.741 9.383 1.00 5.96 H new ATOM 171 N GLY A 12 5.737 9.180 5.602 1.00 0.77 N ATOM 172 CA GLY A 12 7.014 8.747 6.146 1.00 0.81 C ATOM 173 C GLY A 12 8.044 8.559 5.036 1.00 0.79 C ATOM 174 O GLY A 12 9.201 8.940 5.206 1.00 0.88 O ATOM 0 H GLY A 12 5.821 9.957 4.946 1.00 0.77 H new ATOM 0 HA2 GLY A 12 7.377 9.484 6.863 1.00 0.81 H new ATOM 0 HA3 GLY A 12 6.884 7.811 6.689 1.00 0.81 H new ATOM 178 N MET A 13 7.643 7.970 3.902 1.00 0.79 N ATOM 179 CA MET A 13 8.590 7.698 2.834 1.00 0.85 C ATOM 180 C MET A 13 9.068 8.998 2.185 1.00 0.94 C ATOM 181 O MET A 13 8.346 9.995 2.199 1.00 1.28 O ATOM 182 CB MET A 13 7.994 6.718 1.819 1.00 1.11 C ATOM 183 CG MET A 13 6.816 7.248 1.007 1.00 1.12 C ATOM 184 SD MET A 13 6.284 6.070 -0.260 1.00 1.11 S ATOM 185 CE MET A 13 5.169 7.145 -1.165 1.00 1.20 C ATOM 0 H MET A 13 6.684 7.680 3.710 1.00 0.79 H new ATOM 0 HA MET A 13 9.471 7.218 3.260 1.00 0.85 H new ATOM 0 HB2 MET A 13 8.781 6.414 1.129 1.00 1.11 H new ATOM 0 HB3 MET A 13 7.673 5.822 2.351 1.00 1.11 H new ATOM 0 HG2 MET A 13 5.982 7.463 1.675 1.00 1.12 H new ATOM 0 HG3 MET A 13 7.096 8.189 0.533 1.00 1.12 H new ATOM 0 HE1 MET A 13 4.562 6.549 -1.847 1.00 1.20 H new ATOM 0 HE2 MET A 13 4.519 7.668 -0.464 1.00 1.20 H new ATOM 0 HE3 MET A 13 5.747 7.872 -1.735 1.00 1.20 H new ATOM 195 N THR A 14 10.286 8.995 1.631 1.00 0.90 N ATOM 196 CA THR A 14 10.883 10.207 1.078 1.00 1.08 C ATOM 197 C THR A 14 11.892 9.958 -0.053 1.00 0.98 C ATOM 198 O THR A 14 12.446 10.933 -0.562 1.00 1.23 O ATOM 199 CB THR A 14 11.486 11.047 2.221 1.00 1.48 C ATOM 200 OG1 THR A 14 11.925 12.302 1.739 1.00 2.16 O ATOM 201 CG2 THR A 14 12.653 10.338 2.916 1.00 2.00 C ATOM 0 H THR A 14 10.874 8.165 1.556 1.00 0.90 H new ATOM 0 HA THR A 14 10.082 10.768 0.597 1.00 1.08 H new ATOM 0 HB THR A 14 10.692 11.187 2.954 1.00 1.48 H new ATOM 0 HG1 THR A 14 12.263 12.201 0.825 1.00 2.16 H new ATOM 0 HG21 THR A 14 13.041 10.972 3.713 1.00 2.00 H new ATOM 0 HG22 THR A 14 12.306 9.395 3.339 1.00 2.00 H new ATOM 0 HG23 THR A 14 13.443 10.141 2.191 1.00 2.00 H new ATOM 209 N CYS A 15 12.142 8.711 -0.469 1.00 0.83 N ATOM 210 CA CYS A 15 13.075 8.419 -1.548 1.00 0.79 C ATOM 211 C CYS A 15 12.825 7.009 -2.078 1.00 0.67 C ATOM 212 O CYS A 15 12.149 6.207 -1.431 1.00 0.60 O ATOM 213 CB CYS A 15 14.528 8.607 -1.079 1.00 0.97 C ATOM 214 SG CYS A 15 14.923 8.031 0.594 1.00 1.19 S ATOM 0 H CYS A 15 11.702 7.884 -0.065 1.00 0.83 H new ATOM 0 HA CYS A 15 12.911 9.121 -2.365 1.00 0.79 H new ATOM 0 HB2 CYS A 15 15.182 8.089 -1.781 1.00 0.97 H new ATOM 0 HB3 CYS A 15 14.771 9.668 -1.140 1.00 0.97 H new ATOM 219 N ALA A 16 13.382 6.720 -3.261 1.00 0.71 N ATOM 220 CA ALA A 16 13.279 5.435 -3.948 1.00 0.69 C ATOM 221 C ALA A 16 13.539 4.268 -2.992 1.00 0.65 C ATOM 222 O ALA A 16 12.839 3.255 -3.031 1.00 0.59 O ATOM 223 CB ALA A 16 14.262 5.401 -5.120 1.00 0.86 C ATOM 0 H ALA A 16 13.935 7.401 -3.781 1.00 0.71 H new ATOM 0 HA ALA A 16 12.263 5.325 -4.327 1.00 0.69 H new ATOM 0 HB1 ALA A 16 14.185 4.442 -5.632 1.00 0.86 H new ATOM 0 HB2 ALA A 16 14.025 6.205 -5.817 1.00 0.86 H new ATOM 0 HB3 ALA A 16 15.278 5.532 -4.747 1.00 0.86 H new ATOM 229 N SER A 17 14.539 4.448 -2.126 1.00 0.76 N ATOM 230 CA SER A 17 14.879 3.613 -0.993 1.00 0.81 C ATOM 231 C SER A 17 13.637 3.055 -0.294 1.00 0.77 C ATOM 232 O SER A 17 13.547 1.856 -0.042 1.00 0.93 O ATOM 233 CB SER A 17 15.707 4.480 -0.035 1.00 0.97 C ATOM 234 OG SER A 17 16.524 5.361 -0.793 1.00 2.17 O ATOM 0 H SER A 17 15.173 5.242 -2.213 1.00 0.76 H new ATOM 0 HA SER A 17 15.446 2.744 -1.327 1.00 0.81 H new ATOM 0 HB2 SER A 17 15.049 5.049 0.621 1.00 0.97 H new ATOM 0 HB3 SER A 17 16.326 3.849 0.603 1.00 0.97 H new ATOM 0 HG SER A 17 16.278 6.288 -0.594 1.00 2.17 H new ATOM 240 N CYS A 18 12.699 3.937 0.054 1.00 0.66 N ATOM 241 CA CYS A 18 11.432 3.573 0.658 1.00 0.67 C ATOM 242 C CYS A 18 10.508 2.916 -0.364 1.00 0.66 C ATOM 243 O CYS A 18 9.956 1.850 -0.100 1.00 0.83 O ATOM 244 CB CYS A 18 10.780 4.823 1.240 1.00 0.67 C ATOM 245 SG CYS A 18 11.815 5.769 2.382 1.00 0.81 S ATOM 0 H CYS A 18 12.808 4.942 -0.082 1.00 0.66 H new ATOM 0 HA CYS A 18 11.612 2.850 1.454 1.00 0.67 H new ATOM 0 HB2 CYS A 18 10.483 5.475 0.418 1.00 0.67 H new ATOM 0 HB3 CYS A 18 9.868 4.530 1.759 1.00 0.67 H new ATOM 250 N VAL A 19 10.318 3.571 -1.515 1.00 0.48 N ATOM 251 CA VAL A 19 9.352 3.202 -2.542 1.00 0.41 C ATOM 252 C VAL A 19 9.459 1.712 -2.809 1.00 0.43 C ATOM 253 O VAL A 19 8.519 0.946 -2.587 1.00 0.41 O ATOM 254 CB VAL A 19 9.625 4.010 -3.828 1.00 0.42 C ATOM 255 CG1 VAL A 19 8.785 3.560 -5.029 1.00 0.49 C ATOM 256 CG2 VAL A 19 9.401 5.502 -3.579 1.00 0.44 C ATOM 0 H VAL A 19 10.855 4.402 -1.761 1.00 0.48 H new ATOM 0 HA VAL A 19 8.341 3.430 -2.204 1.00 0.41 H new ATOM 0 HB VAL A 19 10.668 3.820 -4.083 1.00 0.42 H new ATOM 0 HG11 VAL A 19 9.031 4.173 -5.896 1.00 0.49 H new ATOM 0 HG12 VAL A 19 8.999 2.515 -5.252 1.00 0.49 H new ATOM 0 HG13 VAL A 19 7.726 3.672 -4.795 1.00 0.49 H new ATOM 0 HG21 VAL A 19 9.598 6.057 -4.496 1.00 0.44 H new ATOM 0 HG22 VAL A 19 8.370 5.668 -3.268 1.00 0.44 H new ATOM 0 HG23 VAL A 19 10.076 5.845 -2.795 1.00 0.44 H new ATOM 266 N HIS A 20 10.650 1.305 -3.243 1.00 0.55 N ATOM 267 CA HIS A 20 10.883 -0.061 -3.626 1.00 0.66 C ATOM 268 C HIS A 20 10.760 -1.004 -2.427 1.00 0.68 C ATOM 269 O HIS A 20 10.430 -2.175 -2.600 1.00 0.73 O ATOM 270 CB HIS A 20 12.187 -0.140 -4.423 1.00 0.77 C ATOM 271 CG HIS A 20 13.474 0.313 -3.775 1.00 0.83 C ATOM 272 ND1 HIS A 20 14.510 0.918 -4.451 1.00 0.99 N ATOM 273 CD2 HIS A 20 13.919 0.045 -2.508 1.00 0.84 C ATOM 274 CE1 HIS A 20 15.552 1.008 -3.609 1.00 1.08 C ATOM 275 NE2 HIS A 20 15.246 0.474 -2.418 1.00 0.98 N ATOM 0 H HIS A 20 11.463 1.914 -3.334 1.00 0.55 H new ATOM 0 HA HIS A 20 10.106 -0.421 -4.300 1.00 0.66 H new ATOM 0 HB2 HIS A 20 12.322 -1.177 -4.730 1.00 0.77 H new ATOM 0 HB3 HIS A 20 12.053 0.447 -5.332 1.00 0.77 H new ATOM 0 HD2 HIS A 20 13.346 -0.417 -1.718 1.00 0.84 H new ATOM 0 HE1 HIS A 20 16.506 1.450 -3.857 1.00 1.08 H new ATOM 0 HE2 HIS A 20 15.860 0.396 -1.607 1.00 0.98 H new ATOM 283 N LYS A 21 10.973 -0.499 -1.205 1.00 0.69 N ATOM 284 CA LYS A 21 10.777 -1.254 0.015 1.00 0.77 C ATOM 285 C LYS A 21 9.295 -1.577 0.142 1.00 0.64 C ATOM 286 O LYS A 21 8.941 -2.746 0.277 1.00 0.72 O ATOM 287 CB LYS A 21 11.281 -0.454 1.229 1.00 0.95 C ATOM 288 CG LYS A 21 12.207 -1.261 2.137 1.00 1.28 C ATOM 289 CD LYS A 21 11.467 -2.428 2.810 1.00 2.70 C ATOM 290 CE LYS A 21 12.279 -3.039 3.961 1.00 3.53 C ATOM 291 NZ LYS A 21 13.605 -3.524 3.524 1.00 5.06 N ATOM 0 H LYS A 21 11.290 0.457 -1.046 1.00 0.69 H new ATOM 0 HA LYS A 21 11.348 -2.182 -0.018 1.00 0.77 H new ATOM 0 HB2 LYS A 21 11.809 0.433 0.878 1.00 0.95 H new ATOM 0 HB3 LYS A 21 10.425 -0.107 1.809 1.00 0.95 H new ATOM 0 HG2 LYS A 21 13.042 -1.648 1.553 1.00 1.28 H new ATOM 0 HG3 LYS A 21 12.628 -0.607 2.901 1.00 1.28 H new ATOM 0 HD2 LYS A 21 10.507 -2.077 3.190 1.00 2.70 H new ATOM 0 HD3 LYS A 21 11.254 -3.198 2.068 1.00 2.70 H new ATOM 0 HE2 LYS A 21 12.409 -2.293 4.745 1.00 3.53 H new ATOM 0 HE3 LYS A 21 11.719 -3.866 4.397 1.00 3.53 H new ATOM 0 HZ1 LYS A 21 14.071 -4.017 4.312 1.00 5.06 H new ATOM 0 HZ2 LYS A 21 13.489 -4.180 2.725 1.00 5.06 H new ATOM 0 HZ3 LYS A 21 14.189 -2.717 3.227 1.00 5.06 H new ATOM 305 N ILE A 22 8.435 -0.554 0.100 1.00 0.51 N ATOM 306 CA ILE A 22 6.998 -0.753 0.227 1.00 0.48 C ATOM 307 C ILE A 22 6.521 -1.699 -0.873 1.00 0.38 C ATOM 308 O ILE A 22 5.905 -2.724 -0.583 1.00 0.41 O ATOM 309 CB ILE A 22 6.219 0.579 0.220 1.00 0.56 C ATOM 310 CG1 ILE A 22 6.791 1.542 1.273 1.00 0.76 C ATOM 311 CG2 ILE A 22 4.739 0.274 0.490 1.00 0.86 C ATOM 312 CD1 ILE A 22 5.919 2.764 1.575 1.00 0.78 C ATOM 0 H ILE A 22 8.715 0.419 -0.021 1.00 0.51 H new ATOM 0 HA ILE A 22 6.795 -1.207 1.197 1.00 0.48 H new ATOM 0 HB ILE A 22 6.317 1.067 -0.750 1.00 0.56 H new ATOM 0 HG12 ILE A 22 6.950 0.990 2.199 1.00 0.76 H new ATOM 0 HG13 ILE A 22 7.768 1.887 0.935 1.00 0.76 H new ATOM 0 HG21 ILE A 22 4.170 1.204 0.489 1.00 0.86 H new ATOM 0 HG22 ILE A 22 4.356 -0.387 -0.288 1.00 0.86 H new ATOM 0 HG23 ILE A 22 4.639 -0.212 1.461 1.00 0.86 H new ATOM 0 HD11 ILE A 22 6.407 3.382 2.329 1.00 0.78 H new ATOM 0 HD12 ILE A 22 5.780 3.346 0.664 1.00 0.78 H new ATOM 0 HD13 ILE A 22 4.949 2.436 1.948 1.00 0.78 H new ATOM 324 N GLU A 23 6.822 -1.364 -2.129 1.00 0.37 N ATOM 325 CA GLU A 23 6.389 -2.140 -3.279 1.00 0.41 C ATOM 326 C GLU A 23 6.844 -3.594 -3.148 1.00 0.41 C ATOM 327 O GLU A 23 6.008 -4.499 -3.097 1.00 0.44 O ATOM 328 CB GLU A 23 6.898 -1.478 -4.564 1.00 0.56 C ATOM 329 CG GLU A 23 6.259 -0.092 -4.735 1.00 1.28 C ATOM 330 CD GLU A 23 6.791 0.670 -5.943 1.00 1.54 C ATOM 331 OE1 GLU A 23 7.870 0.286 -6.439 1.00 2.09 O ATOM 332 OE2 GLU A 23 6.099 1.635 -6.345 1.00 2.43 O ATOM 0 H GLU A 23 7.376 -0.542 -2.372 1.00 0.37 H new ATOM 0 HA GLU A 23 5.300 -2.158 -3.324 1.00 0.41 H new ATOM 0 HB2 GLU A 23 7.983 -1.384 -4.528 1.00 0.56 H new ATOM 0 HB3 GLU A 23 6.660 -2.105 -5.424 1.00 0.56 H new ATOM 0 HG2 GLU A 23 5.179 -0.206 -4.832 1.00 1.28 H new ATOM 0 HG3 GLU A 23 6.437 0.497 -3.835 1.00 1.28 H new ATOM 339 N SER A 24 8.162 -3.811 -3.048 1.00 0.48 N ATOM 340 CA SER A 24 8.726 -5.147 -2.921 1.00 0.55 C ATOM 341 C SER A 24 8.060 -5.878 -1.758 1.00 0.55 C ATOM 342 O SER A 24 7.558 -6.986 -1.931 1.00 0.68 O ATOM 343 CB SER A 24 10.249 -5.085 -2.750 1.00 0.66 C ATOM 344 OG SER A 24 10.809 -6.387 -2.732 1.00 1.50 O ATOM 0 H SER A 24 8.858 -3.065 -3.053 1.00 0.48 H new ATOM 0 HA SER A 24 8.529 -5.705 -3.836 1.00 0.55 H new ATOM 0 HB2 SER A 24 10.687 -4.507 -3.564 1.00 0.66 H new ATOM 0 HB3 SER A 24 10.494 -4.566 -1.823 1.00 0.66 H new ATOM 0 HG SER A 24 11.781 -6.324 -2.624 1.00 1.50 H new ATOM 350 N SER A 25 8.034 -5.253 -0.578 1.00 0.53 N ATOM 351 CA SER A 25 7.502 -5.864 0.629 1.00 0.59 C ATOM 352 C SER A 25 6.033 -6.261 0.453 1.00 0.55 C ATOM 353 O SER A 25 5.636 -7.326 0.920 1.00 0.64 O ATOM 354 CB SER A 25 7.708 -4.928 1.824 1.00 0.69 C ATOM 355 OG SER A 25 7.455 -5.606 3.039 1.00 0.94 O ATOM 0 H SER A 25 8.384 -4.305 -0.439 1.00 0.53 H new ATOM 0 HA SER A 25 8.049 -6.786 0.826 1.00 0.59 H new ATOM 0 HB2 SER A 25 8.729 -4.545 1.821 1.00 0.69 H new ATOM 0 HB3 SER A 25 7.045 -4.067 1.737 1.00 0.69 H new ATOM 0 HG SER A 25 8.118 -5.336 3.709 1.00 0.94 H new ATOM 361 N LEU A 26 5.222 -5.426 -0.202 1.00 0.49 N ATOM 362 CA LEU A 26 3.833 -5.775 -0.462 1.00 0.53 C ATOM 363 C LEU A 26 3.740 -6.971 -1.401 1.00 0.55 C ATOM 364 O LEU A 26 2.932 -7.863 -1.142 1.00 0.61 O ATOM 365 CB LEU A 26 3.044 -4.590 -1.021 1.00 0.54 C ATOM 366 CG LEU A 26 2.702 -3.560 0.064 1.00 0.70 C ATOM 367 CD1 LEU A 26 2.234 -2.283 -0.629 1.00 2.26 C ATOM 368 CD2 LEU A 26 1.597 -4.022 1.021 1.00 1.71 C ATOM 0 H LEU A 26 5.505 -4.513 -0.557 1.00 0.49 H new ATOM 0 HA LEU A 26 3.384 -6.048 0.493 1.00 0.53 H new ATOM 0 HB2 LEU A 26 3.624 -4.108 -1.808 1.00 0.54 H new ATOM 0 HB3 LEU A 26 2.124 -4.952 -1.480 1.00 0.54 H new ATOM 0 HG LEU A 26 3.600 -3.408 0.663 1.00 0.70 H new ATOM 0 HD11 LEU A 26 1.984 -1.533 0.121 1.00 2.26 H new ATOM 0 HD12 LEU A 26 3.030 -1.904 -1.270 1.00 2.26 H new ATOM 0 HD13 LEU A 26 1.353 -2.499 -1.234 1.00 2.26 H new ATOM 0 HD21 LEU A 26 1.408 -3.244 1.761 1.00 1.71 H new ATOM 0 HD22 LEU A 26 0.685 -4.216 0.457 1.00 1.71 H new ATOM 0 HD23 LEU A 26 1.912 -4.935 1.527 1.00 1.71 H new ATOM 380 N THR A 27 4.543 -7.004 -2.477 1.00 0.57 N ATOM 381 CA THR A 27 4.566 -8.105 -3.442 1.00 0.71 C ATOM 382 C THR A 27 5.190 -9.380 -2.849 1.00 0.96 C ATOM 383 O THR A 27 6.207 -9.879 -3.328 1.00 1.70 O ATOM 384 CB THR A 27 5.253 -7.651 -4.739 1.00 0.85 C ATOM 385 OG1 THR A 27 6.513 -7.074 -4.469 1.00 1.68 O ATOM 386 CG2 THR A 27 4.401 -6.610 -5.472 1.00 1.07 C ATOM 0 H THR A 27 5.200 -6.256 -2.700 1.00 0.57 H new ATOM 0 HA THR A 27 3.539 -8.373 -3.688 1.00 0.71 H new ATOM 0 HB THR A 27 5.377 -8.537 -5.362 1.00 0.85 H new ATOM 0 HG1 THR A 27 6.747 -7.224 -3.529 1.00 1.68 H new ATOM 0 HG21 THR A 27 4.908 -6.304 -6.387 1.00 1.07 H new ATOM 0 HG22 THR A 27 3.432 -7.043 -5.721 1.00 1.07 H new ATOM 0 HG23 THR A 27 4.256 -5.741 -4.830 1.00 1.07 H new ATOM 394 N LYS A 28 4.563 -9.883 -1.787 1.00 0.90 N ATOM 395 CA LYS A 28 4.918 -11.022 -0.958 1.00 1.06 C ATOM 396 C LYS A 28 3.628 -11.569 -0.341 1.00 0.89 C ATOM 397 O LYS A 28 3.379 -12.771 -0.402 1.00 0.94 O ATOM 398 CB LYS A 28 5.879 -10.618 0.177 1.00 1.37 C ATOM 399 CG LYS A 28 7.119 -9.837 -0.268 1.00 2.30 C ATOM 400 CD LYS A 28 8.113 -10.691 -1.071 1.00 3.77 C ATOM 401 CE LYS A 28 9.077 -9.778 -1.844 1.00 5.70 C ATOM 402 NZ LYS A 28 9.960 -10.530 -2.753 1.00 7.42 N ATOM 0 H LYS A 28 3.701 -9.451 -1.455 1.00 0.90 H new ATOM 0 HA LYS A 28 5.420 -11.768 -1.574 1.00 1.06 H new ATOM 0 HB2 LYS A 28 5.329 -10.015 0.900 1.00 1.37 H new ATOM 0 HB3 LYS A 28 6.204 -11.520 0.695 1.00 1.37 H new ATOM 0 HG2 LYS A 28 6.807 -8.987 -0.874 1.00 2.30 H new ATOM 0 HG3 LYS A 28 7.622 -9.434 0.611 1.00 2.30 H new ATOM 0 HD2 LYS A 28 8.673 -11.341 -0.399 1.00 3.77 H new ATOM 0 HD3 LYS A 28 7.574 -11.337 -1.764 1.00 3.77 H new ATOM 0 HE2 LYS A 28 8.502 -9.052 -2.419 1.00 5.70 H new ATOM 0 HE3 LYS A 28 9.685 -9.214 -1.136 1.00 5.70 H new ATOM 0 HZ1 LYS A 28 10.590 -9.869 -3.250 1.00 7.42 H new ATOM 0 HZ2 LYS A 28 10.530 -11.205 -2.204 1.00 7.42 H new ATOM 0 HZ3 LYS A 28 9.384 -11.048 -3.447 1.00 7.42 H new ATOM 416 N HIS A 29 2.811 -10.697 0.272 1.00 0.86 N ATOM 417 CA HIS A 29 1.597 -11.146 0.930 1.00 1.00 C ATOM 418 C HIS A 29 0.587 -11.613 -0.116 1.00 0.95 C ATOM 419 O HIS A 29 0.405 -10.968 -1.150 1.00 1.25 O ATOM 420 CB HIS A 29 1.032 -10.068 1.867 1.00 1.30 C ATOM 421 CG HIS A 29 0.318 -8.915 1.206 1.00 0.66 C ATOM 422 ND1 HIS A 29 -0.972 -8.939 0.727 1.00 1.47 N ATOM 423 CD2 HIS A 29 0.731 -7.610 1.199 1.00 0.75 C ATOM 424 CE1 HIS A 29 -1.319 -7.676 0.426 1.00 2.25 C ATOM 425 NE2 HIS A 29 -0.310 -6.829 0.686 1.00 1.83 N ATOM 0 H HIS A 29 2.975 -9.691 0.320 1.00 0.86 H new ATOM 0 HA HIS A 29 1.830 -11.998 1.568 1.00 1.00 H new ATOM 0 HB2 HIS A 29 0.340 -10.546 2.561 1.00 1.30 H new ATOM 0 HB3 HIS A 29 1.853 -9.667 2.461 1.00 1.30 H new ATOM 0 HD1 HIS A 29 -1.559 -9.766 0.620 1.00 1.47 H new ATOM 0 HD2 HIS A 29 1.692 -7.247 1.531 1.00 0.75 H new ATOM 0 HE1 HIS A 29 -2.279 -7.382 0.029 1.00 2.25 H new ATOM 433 N ARG A 30 -0.083 -12.736 0.154 1.00 1.14 N ATOM 434 CA ARG A 30 -1.155 -13.203 -0.706 1.00 1.30 C ATOM 435 C ARG A 30 -2.218 -12.112 -0.833 1.00 1.45 C ATOM 436 O ARG A 30 -2.392 -11.289 0.067 1.00 2.80 O ATOM 437 CB ARG A 30 -1.770 -14.498 -0.160 1.00 1.65 C ATOM 438 CG ARG A 30 -0.776 -15.663 -0.222 1.00 2.36 C ATOM 439 CD ARG A 30 -1.476 -16.970 0.170 1.00 3.00 C ATOM 440 NE ARG A 30 -0.560 -18.117 0.057 1.00 4.08 N ATOM 441 CZ ARG A 30 -0.920 -19.401 0.223 1.00 4.96 C ATOM 442 NH1 ARG A 30 -2.182 -19.702 0.544 1.00 4.92 N ATOM 443 NH2 ARG A 30 -0.016 -20.375 0.064 1.00 6.30 N ATOM 0 H ARG A 30 0.103 -13.332 0.961 1.00 1.14 H new ATOM 0 HA ARG A 30 -0.747 -13.421 -1.693 1.00 1.30 H new ATOM 0 HB2 ARG A 30 -2.088 -14.344 0.871 1.00 1.65 H new ATOM 0 HB3 ARG A 30 -2.662 -14.749 -0.734 1.00 1.65 H new ATOM 0 HG2 ARG A 30 -0.365 -15.748 -1.228 1.00 2.36 H new ATOM 0 HG3 ARG A 30 0.061 -15.474 0.449 1.00 2.36 H new ATOM 0 HD2 ARG A 30 -1.846 -16.895 1.193 1.00 3.00 H new ATOM 0 HD3 ARG A 30 -2.343 -17.128 -0.472 1.00 3.00 H new ATOM 0 HE ARG A 30 0.417 -17.923 -0.163 1.00 4.08 H new ATOM 0 HH11 ARG A 30 -2.869 -18.958 0.662 1.00 4.92 H new ATOM 0 HH12 ARG A 30 -2.458 -20.676 0.671 1.00 4.92 H new ATOM 0 HH21 ARG A 30 0.946 -20.143 -0.183 1.00 6.30 H new ATOM 0 HH22 ARG A 30 -0.289 -21.350 0.190 1.00 6.30 H new ATOM 457 N GLY A 31 -2.911 -12.093 -1.967 1.00 0.63 N ATOM 458 CA GLY A 31 -3.963 -11.132 -2.218 1.00 0.72 C ATOM 459 C GLY A 31 -3.458 -9.879 -2.907 1.00 0.54 C ATOM 460 O GLY A 31 -4.230 -9.292 -3.654 1.00 0.67 O ATOM 0 H GLY A 31 -2.754 -12.747 -2.734 1.00 0.63 H new ATOM 0 HA2 GLY A 31 -4.733 -11.595 -2.834 1.00 0.72 H new ATOM 0 HA3 GLY A 31 -4.433 -10.858 -1.273 1.00 0.72 H new ATOM 464 N ILE A 32 -2.196 -9.460 -2.734 1.00 0.57 N ATOM 465 CA ILE A 32 -1.711 -8.350 -3.537 1.00 0.58 C ATOM 466 C ILE A 32 -1.451 -8.890 -4.942 1.00 0.67 C ATOM 467 O ILE A 32 -0.797 -9.916 -5.120 1.00 0.86 O ATOM 468 CB ILE A 32 -0.470 -7.672 -2.907 1.00 0.64 C ATOM 469 CG1 ILE A 32 -0.708 -6.166 -2.712 1.00 0.80 C ATOM 470 CG2 ILE A 32 0.813 -7.862 -3.717 1.00 1.00 C ATOM 471 CD1 ILE A 32 -0.475 -5.372 -4.002 1.00 1.69 C ATOM 0 H ILE A 32 -1.526 -9.857 -2.075 1.00 0.57 H new ATOM 0 HA ILE A 32 -2.457 -7.556 -3.583 1.00 0.58 H new ATOM 0 HB ILE A 32 -0.331 -8.167 -1.946 1.00 0.64 H new ATOM 0 HG12 ILE A 32 -1.729 -6.003 -2.366 1.00 0.80 H new ATOM 0 HG13 ILE A 32 -0.044 -5.793 -1.932 1.00 0.80 H new ATOM 0 HG21 ILE A 32 1.639 -7.359 -3.214 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.034 -8.926 -3.804 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.682 -7.436 -4.712 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -0.655 -4.313 -3.815 1.00 1.69 H new ATOM 0 HD12 ILE A 32 0.554 -5.512 -4.335 1.00 1.69 H new ATOM 0 HD13 ILE A 32 -1.158 -5.725 -4.775 1.00 1.69 H new ATOM 483 N LEU A 33 -1.973 -8.173 -5.932 1.00 0.69 N ATOM 484 CA LEU A 33 -1.722 -8.398 -7.338 1.00 0.77 C ATOM 485 C LEU A 33 -0.615 -7.446 -7.791 1.00 0.84 C ATOM 486 O LEU A 33 0.338 -7.888 -8.428 1.00 1.04 O ATOM 487 CB LEU A 33 -3.018 -8.200 -8.134 1.00 0.89 C ATOM 488 CG LEU A 33 -4.194 -9.054 -7.640 1.00 1.42 C ATOM 489 CD1 LEU A 33 -5.445 -8.691 -8.447 1.00 2.01 C ATOM 490 CD2 LEU A 33 -3.899 -10.551 -7.785 1.00 2.42 C ATOM 0 H LEU A 33 -2.606 -7.391 -5.763 1.00 0.69 H new ATOM 0 HA LEU A 33 -1.390 -9.421 -7.515 1.00 0.77 H new ATOM 0 HB2 LEU A 33 -3.302 -7.149 -8.089 1.00 0.89 H new ATOM 0 HB3 LEU A 33 -2.828 -8.434 -9.181 1.00 0.89 H new ATOM 0 HG LEU A 33 -4.354 -8.848 -6.582 1.00 1.42 H new ATOM 0 HD11 LEU A 33 -6.287 -9.292 -8.104 1.00 2.01 H new ATOM 0 HD12 LEU A 33 -5.674 -7.634 -8.308 1.00 2.01 H new ATOM 0 HD13 LEU A 33 -5.266 -8.888 -9.504 1.00 2.01 H new ATOM 0 HD21 LEU A 33 -4.752 -11.126 -7.426 1.00 2.42 H new ATOM 0 HD22 LEU A 33 -3.718 -10.786 -8.834 1.00 2.42 H new ATOM 0 HD23 LEU A 33 -3.017 -10.806 -7.198 1.00 2.42 H new ATOM 502 N TYR A 34 -0.708 -6.144 -7.470 1.00 0.75 N ATOM 503 CA TYR A 34 0.343 -5.197 -7.823 1.00 0.83 C ATOM 504 C TYR A 34 0.289 -3.996 -6.882 1.00 0.69 C ATOM 505 O TYR A 34 -0.796 -3.611 -6.459 1.00 0.76 O ATOM 506 CB TYR A 34 0.168 -4.768 -9.284 1.00 1.03 C ATOM 507 CG TYR A 34 1.224 -3.801 -9.776 1.00 1.17 C ATOM 508 CD1 TYR A 34 2.501 -4.275 -10.120 1.00 2.72 C ATOM 509 CD2 TYR A 34 0.940 -2.426 -9.857 1.00 1.84 C ATOM 510 CE1 TYR A 34 3.486 -3.377 -10.564 1.00 2.85 C ATOM 511 CE2 TYR A 34 1.917 -1.531 -10.325 1.00 1.98 C ATOM 512 CZ TYR A 34 3.200 -2.004 -10.654 1.00 1.63 C ATOM 513 OH TYR A 34 4.152 -1.149 -11.122 1.00 1.89 O ATOM 0 H TYR A 34 -1.497 -5.734 -6.971 1.00 0.75 H new ATOM 0 HA TYR A 34 1.321 -5.666 -7.716 1.00 0.83 H new ATOM 0 HB2 TYR A 34 0.181 -5.656 -9.916 1.00 1.03 H new ATOM 0 HB3 TYR A 34 -0.813 -4.308 -9.401 1.00 1.03 H new ATOM 0 HD1 TYR A 34 2.725 -5.329 -10.043 1.00 2.72 H new ATOM 0 HD2 TYR A 34 -0.030 -2.057 -9.559 1.00 1.84 H new ATOM 0 HE1 TYR A 34 4.465 -3.743 -10.837 1.00 2.85 H new ATOM 0 HE2 TYR A 34 1.683 -0.482 -10.432 1.00 1.98 H new ATOM 0 HH TYR A 34 3.798 -0.235 -11.124 1.00 1.89 H new ATOM 523 N CYS A 35 1.436 -3.390 -6.574 1.00 0.66 N ATOM 524 CA CYS A 35 1.523 -2.122 -5.858 1.00 0.57 C ATOM 525 C CYS A 35 2.271 -1.148 -6.757 1.00 0.66 C ATOM 526 O CYS A 35 3.153 -1.581 -7.497 1.00 0.95 O ATOM 527 CB CYS A 35 2.338 -2.290 -4.568 1.00 0.64 C ATOM 528 SG CYS A 35 2.459 -0.692 -3.732 1.00 2.24 S ATOM 0 H CYS A 35 2.347 -3.776 -6.821 1.00 0.66 H new ATOM 0 HA CYS A 35 0.522 -1.770 -5.607 1.00 0.57 H new ATOM 0 HB2 CYS A 35 1.861 -3.021 -3.915 1.00 0.64 H new ATOM 0 HB3 CYS A 35 3.333 -2.670 -4.799 1.00 0.64 H new ATOM 0 HG CYS A 35 1.369 -0.013 -3.935 1.00 2.24 H new ATOM 534 N SER A 36 1.996 0.153 -6.652 1.00 0.63 N ATOM 535 CA SER A 36 3.089 1.104 -6.766 1.00 0.98 C ATOM 536 C SER A 36 2.839 2.256 -5.803 1.00 0.74 C ATOM 537 O SER A 36 1.677 2.552 -5.503 1.00 0.81 O ATOM 538 CB SER A 36 3.320 1.554 -8.210 1.00 1.59 C ATOM 539 OG SER A 36 4.457 2.389 -8.304 1.00 2.70 O ATOM 0 H SER A 36 1.071 0.553 -6.496 1.00 0.63 H new ATOM 0 HA SER A 36 4.023 0.620 -6.482 1.00 0.98 H new ATOM 0 HB2 SER A 36 3.451 0.682 -8.850 1.00 1.59 H new ATOM 0 HB3 SER A 36 2.442 2.087 -8.574 1.00 1.59 H new ATOM 0 HG SER A 36 5.067 2.196 -7.562 1.00 2.70 H new ATOM 545 N VAL A 37 3.914 2.875 -5.301 1.00 0.73 N ATOM 546 CA VAL A 37 3.843 4.026 -4.417 1.00 0.62 C ATOM 547 C VAL A 37 4.615 5.203 -5.016 1.00 0.69 C ATOM 548 O VAL A 37 5.735 5.038 -5.491 1.00 1.01 O ATOM 549 CB VAL A 37 4.274 3.645 -2.986 1.00 0.80 C ATOM 550 CG1 VAL A 37 3.711 2.292 -2.543 1.00 1.75 C ATOM 551 CG2 VAL A 37 5.785 3.506 -2.824 1.00 1.51 C ATOM 0 H VAL A 37 4.869 2.580 -5.506 1.00 0.73 H new ATOM 0 HA VAL A 37 2.810 4.361 -4.328 1.00 0.62 H new ATOM 0 HB VAL A 37 3.886 4.467 -2.385 1.00 0.80 H new ATOM 0 HG11 VAL A 37 4.045 2.073 -1.529 1.00 1.75 H new ATOM 0 HG12 VAL A 37 2.622 2.326 -2.567 1.00 1.75 H new ATOM 0 HG13 VAL A 37 4.064 1.512 -3.218 1.00 1.75 H new ATOM 0 HG21 VAL A 37 6.017 3.237 -1.794 1.00 1.51 H new ATOM 0 HG22 VAL A 37 6.153 2.729 -3.494 1.00 1.51 H new ATOM 0 HG23 VAL A 37 6.266 4.453 -3.069 1.00 1.51 H new ATOM 561 N ALA A 38 4.007 6.394 -5.022 1.00 0.57 N ATOM 562 CA ALA A 38 4.591 7.596 -5.597 1.00 0.63 C ATOM 563 C ALA A 38 4.868 8.628 -4.512 1.00 0.64 C ATOM 564 O ALA A 38 4.012 8.916 -3.673 1.00 0.64 O ATOM 565 CB ALA A 38 3.664 8.194 -6.650 1.00 0.71 C ATOM 0 H ALA A 38 3.082 6.545 -4.620 1.00 0.57 H new ATOM 0 HA ALA A 38 5.532 7.319 -6.072 1.00 0.63 H new ATOM 0 HB1 ALA A 38 4.119 9.092 -7.068 1.00 0.71 H new ATOM 0 HB2 ALA A 38 3.500 7.467 -7.445 1.00 0.71 H new ATOM 0 HB3 ALA A 38 2.710 8.451 -6.191 1.00 0.71 H new ATOM 571 N LEU A 39 6.060 9.220 -4.586 1.00 0.72 N ATOM 572 CA LEU A 39 6.522 10.267 -3.685 1.00 0.83 C ATOM 573 C LEU A 39 5.713 11.547 -3.898 1.00 0.77 C ATOM 574 O LEU A 39 5.431 12.265 -2.943 1.00 0.78 O ATOM 575 CB LEU A 39 8.020 10.528 -3.908 1.00 1.21 C ATOM 576 CG LEU A 39 8.915 9.310 -3.613 1.00 1.06 C ATOM 577 CD1 LEU A 39 10.344 9.602 -4.080 1.00 2.21 C ATOM 578 CD2 LEU A 39 8.944 8.968 -2.118 1.00 2.18 C ATOM 0 H LEU A 39 6.749 8.974 -5.297 1.00 0.72 H new ATOM 0 HA LEU A 39 6.376 9.939 -2.656 1.00 0.83 H new ATOM 0 HB2 LEU A 39 8.175 10.839 -4.941 1.00 1.21 H new ATOM 0 HB3 LEU A 39 8.333 11.358 -3.275 1.00 1.21 H new ATOM 0 HG LEU A 39 8.498 8.458 -4.150 1.00 1.06 H new ATOM 0 HD11 LEU A 39 10.978 8.740 -3.872 1.00 2.21 H new ATOM 0 HD12 LEU A 39 10.343 9.801 -5.152 1.00 2.21 H new ATOM 0 HD13 LEU A 39 10.729 10.473 -3.550 1.00 2.21 H new ATOM 0 HD21 LEU A 39 9.587 8.103 -1.955 1.00 2.18 H new ATOM 0 HD22 LEU A 39 9.331 9.819 -1.558 1.00 2.18 H new ATOM 0 HD23 LEU A 39 7.934 8.739 -1.778 1.00 2.18 H new ATOM 590 N ALA A 40 5.315 11.807 -5.152 1.00 0.82 N ATOM 591 CA ALA A 40 4.605 13.001 -5.602 1.00 0.96 C ATOM 592 C ALA A 40 3.540 13.498 -4.619 1.00 0.80 C ATOM 593 O ALA A 40 3.411 14.701 -4.408 1.00 0.94 O ATOM 594 CB ALA A 40 3.979 12.726 -6.972 1.00 1.24 C ATOM 0 H ALA A 40 5.491 11.153 -5.915 1.00 0.82 H new ATOM 0 HA ALA A 40 5.341 13.803 -5.668 1.00 0.96 H new ATOM 0 HB1 ALA A 40 3.447 13.614 -7.314 1.00 1.24 H new ATOM 0 HB2 ALA A 40 4.763 12.475 -7.686 1.00 1.24 H new ATOM 0 HB3 ALA A 40 3.281 11.893 -6.892 1.00 1.24 H new ATOM 600 N THR A 41 2.767 12.581 -4.029 1.00 0.74 N ATOM 601 CA THR A 41 1.812 12.909 -2.972 1.00 0.95 C ATOM 602 C THR A 41 1.872 11.852 -1.864 1.00 0.75 C ATOM 603 O THR A 41 0.882 11.541 -1.211 1.00 0.84 O ATOM 604 CB THR A 41 0.443 13.154 -3.618 1.00 1.52 C ATOM 605 OG1 THR A 41 -0.469 13.779 -2.739 1.00 3.01 O ATOM 606 CG2 THR A 41 -0.201 11.901 -4.214 1.00 1.75 C ATOM 0 H THR A 41 2.788 11.591 -4.273 1.00 0.74 H new ATOM 0 HA THR A 41 2.058 13.836 -2.454 1.00 0.95 H new ATOM 0 HB THR A 41 0.663 13.831 -4.444 1.00 1.52 H new ATOM 0 HG1 THR A 41 -0.449 13.326 -1.870 1.00 3.01 H new ATOM 0 HG21 THR A 41 -1.166 12.160 -4.651 1.00 1.75 H new ATOM 0 HG22 THR A 41 0.449 11.491 -4.987 1.00 1.75 H new ATOM 0 HG23 THR A 41 -0.346 11.158 -3.430 1.00 1.75 H new ATOM 614 N ASN A 42 3.083 11.322 -1.667 1.00 0.71 N ATOM 615 CA ASN A 42 3.454 10.229 -0.769 1.00 0.66 C ATOM 616 C ASN A 42 2.321 9.219 -0.600 1.00 0.66 C ATOM 617 O ASN A 42 1.780 9.043 0.493 1.00 0.75 O ATOM 618 CB ASN A 42 3.990 10.756 0.571 1.00 0.92 C ATOM 619 CG ASN A 42 5.428 11.259 0.453 1.00 1.32 C ATOM 620 OD1 ASN A 42 6.268 10.615 -0.166 1.00 2.90 O ATOM 621 ND2 ASN A 42 5.733 12.407 1.052 1.00 1.62 N ATOM 0 H ASN A 42 3.894 11.677 -2.174 1.00 0.71 H new ATOM 0 HA ASN A 42 4.274 9.685 -1.237 1.00 0.66 H new ATOM 0 HB2 ASN A 42 3.351 11.565 0.925 1.00 0.92 H new ATOM 0 HB3 ASN A 42 3.943 9.963 1.318 1.00 0.92 H new ATOM 0 HD21 ASN A 42 6.685 12.771 1.003 1.00 1.62 H new ATOM 0 HD22 ASN A 42 5.015 12.923 1.561 1.00 1.62 H new ATOM 628 N LYS A 43 1.965 8.551 -1.699 1.00 0.64 N ATOM 629 CA LYS A 43 0.739 7.777 -1.785 1.00 0.66 C ATOM 630 C LYS A 43 0.981 6.451 -2.487 1.00 0.54 C ATOM 631 O LYS A 43 1.641 6.401 -3.524 1.00 0.70 O ATOM 632 CB LYS A 43 -0.328 8.638 -2.468 1.00 1.01 C ATOM 633 CG LYS A 43 -1.674 7.942 -2.694 1.00 1.90 C ATOM 634 CD LYS A 43 -1.824 7.434 -4.131 1.00 1.49 C ATOM 635 CE LYS A 43 -1.965 8.582 -5.146 1.00 1.25 C ATOM 636 NZ LYS A 43 -2.855 8.206 -6.265 1.00 1.50 N ATOM 0 H LYS A 43 2.524 8.536 -2.552 1.00 0.64 H new ATOM 0 HA LYS A 43 0.379 7.516 -0.790 1.00 0.66 H new ATOM 0 HB2 LYS A 43 -0.494 9.530 -1.865 1.00 1.01 H new ATOM 0 HB3 LYS A 43 0.058 8.972 -3.431 1.00 1.01 H new ATOM 0 HG2 LYS A 43 -1.770 7.105 -2.002 1.00 1.90 H new ATOM 0 HG3 LYS A 43 -2.483 8.636 -2.469 1.00 1.90 H new ATOM 0 HD2 LYS A 43 -0.957 6.827 -4.391 1.00 1.49 H new ATOM 0 HD3 LYS A 43 -2.698 6.786 -4.195 1.00 1.49 H new ATOM 0 HE2 LYS A 43 -2.361 9.466 -4.645 1.00 1.25 H new ATOM 0 HE3 LYS A 43 -0.982 8.849 -5.535 1.00 1.25 H new ATOM 0 HZ1 LYS A 43 -2.759 8.900 -7.033 1.00 1.50 H new ATOM 0 HZ2 LYS A 43 -2.592 7.263 -6.616 1.00 1.50 H new ATOM 0 HZ3 LYS A 43 -3.841 8.190 -5.934 1.00 1.50 H new ATOM 650 N ALA A 44 0.425 5.391 -1.903 1.00 0.54 N ATOM 651 CA ALA A 44 0.456 4.026 -2.383 1.00 0.55 C ATOM 652 C ALA A 44 -0.871 3.707 -3.048 1.00 0.60 C ATOM 653 O ALA A 44 -1.914 4.105 -2.523 1.00 0.87 O ATOM 654 CB ALA A 44 0.686 3.086 -1.197 1.00 0.58 C ATOM 0 H ALA A 44 -0.090 5.477 -1.027 1.00 0.54 H new ATOM 0 HA ALA A 44 1.262 3.897 -3.106 1.00 0.55 H new ATOM 0 HB1 ALA A 44 0.711 2.055 -1.549 1.00 0.58 H new ATOM 0 HB2 ALA A 44 1.635 3.329 -0.719 1.00 0.58 H new ATOM 0 HB3 ALA A 44 -0.124 3.204 -0.477 1.00 0.58 H new ATOM 660 N HIS A 45 -0.837 2.964 -4.160 1.00 0.51 N ATOM 661 CA HIS A 45 -1.982 2.214 -4.619 1.00 0.58 C ATOM 662 C HIS A 45 -1.659 0.745 -4.395 1.00 0.60 C ATOM 663 O HIS A 45 -0.519 0.331 -4.614 1.00 0.94 O ATOM 664 CB HIS A 45 -2.308 2.541 -6.080 1.00 0.73 C ATOM 665 CG HIS A 45 -1.446 1.873 -7.114 1.00 1.51 C ATOM 666 ND1 HIS A 45 -0.683 2.510 -8.063 1.00 2.50 N ATOM 667 CD2 HIS A 45 -1.482 0.544 -7.430 1.00 1.97 C ATOM 668 CE1 HIS A 45 -0.263 1.573 -8.930 1.00 3.54 C ATOM 669 NE2 HIS A 45 -0.724 0.359 -8.588 1.00 3.25 N ATOM 0 H HIS A 45 -0.014 2.874 -4.755 1.00 0.51 H new ATOM 0 HA HIS A 45 -2.882 2.479 -4.064 1.00 0.58 H new ATOM 0 HB2 HIS A 45 -3.346 2.268 -6.270 1.00 0.73 H new ATOM 0 HB3 HIS A 45 -2.233 3.620 -6.215 1.00 0.73 H new ATOM 0 HD1 HIS A 45 -0.474 3.508 -8.102 1.00 2.50 H new ATOM 0 HD2 HIS A 45 -2.004 -0.226 -6.882 1.00 1.97 H new ATOM 0 HE1 HIS A 45 0.362 1.770 -9.788 1.00 3.54 H new ATOM 677 N ILE A 46 -2.655 -0.028 -3.973 1.00 0.40 N ATOM 678 CA ILE A 46 -2.554 -1.460 -3.783 1.00 0.39 C ATOM 679 C ILE A 46 -3.683 -2.072 -4.614 1.00 0.45 C ATOM 680 O ILE A 46 -4.863 -1.831 -4.346 1.00 0.65 O ATOM 681 CB ILE A 46 -2.626 -1.805 -2.281 1.00 0.43 C ATOM 682 CG1 ILE A 46 -1.467 -1.152 -1.499 1.00 0.54 C ATOM 683 CG2 ILE A 46 -2.490 -3.316 -2.059 1.00 0.79 C ATOM 684 CD1 ILE A 46 -1.816 0.215 -0.907 1.00 1.49 C ATOM 0 H ILE A 46 -3.579 0.341 -3.749 1.00 0.40 H new ATOM 0 HA ILE A 46 -1.600 -1.868 -4.117 1.00 0.39 H new ATOM 0 HB ILE A 46 -3.590 -1.437 -1.931 1.00 0.43 H new ATOM 0 HG12 ILE A 46 -1.163 -1.820 -0.693 1.00 0.54 H new ATOM 0 HG13 ILE A 46 -0.609 -1.042 -2.163 1.00 0.54 H new ATOM 0 HG21 ILE A 46 -2.544 -3.533 -0.992 1.00 0.79 H new ATOM 0 HG22 ILE A 46 -3.298 -3.834 -2.576 1.00 0.79 H new ATOM 0 HG23 ILE A 46 -1.531 -3.656 -2.451 1.00 0.79 H new ATOM 0 HD11 ILE A 46 -0.953 0.611 -0.372 1.00 1.49 H new ATOM 0 HD12 ILE A 46 -2.091 0.899 -1.709 1.00 1.49 H new ATOM 0 HD13 ILE A 46 -2.653 0.110 -0.217 1.00 1.49 H new ATOM 696 N LYS A 47 -3.309 -2.828 -5.648 1.00 0.52 N ATOM 697 CA LYS A 47 -4.210 -3.624 -6.450 1.00 0.67 C ATOM 698 C LYS A 47 -4.192 -5.007 -5.817 1.00 0.68 C ATOM 699 O LYS A 47 -3.231 -5.745 -6.016 1.00 0.82 O ATOM 700 CB LYS A 47 -3.733 -3.677 -7.912 1.00 0.80 C ATOM 701 CG LYS A 47 -3.285 -2.318 -8.472 1.00 1.02 C ATOM 702 CD LYS A 47 -3.351 -2.374 -10.007 1.00 1.28 C ATOM 703 CE LYS A 47 -2.926 -1.044 -10.642 1.00 2.62 C ATOM 704 NZ LYS A 47 -3.154 -1.028 -12.101 1.00 3.39 N ATOM 0 H LYS A 47 -2.338 -2.898 -5.951 1.00 0.52 H new ATOM 0 HA LYS A 47 -5.216 -3.206 -6.472 1.00 0.67 H new ATOM 0 HB2 LYS A 47 -2.904 -4.381 -7.988 1.00 0.80 H new ATOM 0 HB3 LYS A 47 -4.540 -4.066 -8.533 1.00 0.80 H new ATOM 0 HG2 LYS A 47 -3.928 -1.523 -8.095 1.00 1.02 H new ATOM 0 HG3 LYS A 47 -2.271 -2.090 -8.145 1.00 1.02 H new ATOM 0 HD2 LYS A 47 -2.705 -3.173 -10.370 1.00 1.28 H new ATOM 0 HD3 LYS A 47 -4.366 -2.618 -10.319 1.00 1.28 H new ATOM 0 HE2 LYS A 47 -3.481 -0.228 -10.180 1.00 2.62 H new ATOM 0 HE3 LYS A 47 -1.870 -0.866 -10.438 1.00 2.62 H new ATOM 0 HZ1 LYS A 47 -2.853 -0.111 -12.489 1.00 3.39 H new ATOM 0 HZ2 LYS A 47 -2.604 -1.790 -12.547 1.00 3.39 H new ATOM 0 HZ3 LYS A 47 -4.165 -1.171 -12.296 1.00 3.39 H new ATOM 718 N TYR A 48 -5.200 -5.323 -5.004 1.00 0.80 N ATOM 719 CA TYR A 48 -5.347 -6.591 -4.312 1.00 0.80 C ATOM 720 C TYR A 48 -6.710 -7.240 -4.592 1.00 0.78 C ATOM 721 O TYR A 48 -7.613 -6.581 -5.102 1.00 1.00 O ATOM 722 CB TYR A 48 -5.125 -6.370 -2.809 1.00 0.87 C ATOM 723 CG TYR A 48 -6.217 -5.582 -2.109 1.00 0.90 C ATOM 724 CD1 TYR A 48 -7.332 -6.263 -1.592 1.00 1.88 C ATOM 725 CD2 TYR A 48 -6.079 -4.204 -1.871 1.00 2.08 C ATOM 726 CE1 TYR A 48 -8.276 -5.592 -0.804 1.00 1.98 C ATOM 727 CE2 TYR A 48 -6.988 -3.545 -1.028 1.00 2.13 C ATOM 728 CZ TYR A 48 -8.099 -4.233 -0.514 1.00 1.18 C ATOM 729 OH TYR A 48 -8.996 -3.590 0.281 1.00 1.40 O ATOM 0 H TYR A 48 -5.962 -4.674 -4.806 1.00 0.80 H new ATOM 0 HA TYR A 48 -4.596 -7.287 -4.686 1.00 0.80 H new ATOM 0 HB2 TYR A 48 -5.031 -7.342 -2.324 1.00 0.87 H new ATOM 0 HB3 TYR A 48 -4.177 -5.851 -2.669 1.00 0.87 H new ATOM 0 HD1 TYR A 48 -7.462 -7.314 -1.804 1.00 1.88 H new ATOM 0 HD2 TYR A 48 -5.275 -3.653 -2.336 1.00 2.08 H new ATOM 0 HE1 TYR A 48 -9.137 -6.120 -0.422 1.00 1.98 H new ATOM 0 HE2 TYR A 48 -6.832 -2.507 -0.774 1.00 2.13 H new ATOM 0 HH TYR A 48 -8.519 -3.105 0.986 1.00 1.40 H new ATOM 739 N ASP A 49 -6.845 -8.519 -4.227 1.00 0.59 N ATOM 740 CA ASP A 49 -8.052 -9.332 -4.376 1.00 0.65 C ATOM 741 C ASP A 49 -9.063 -8.971 -3.275 1.00 0.71 C ATOM 742 O ASP A 49 -8.812 -9.284 -2.109 1.00 0.71 O ATOM 743 CB ASP A 49 -7.688 -10.822 -4.261 1.00 0.69 C ATOM 744 CG ASP A 49 -6.831 -11.324 -5.414 1.00 1.60 C ATOM 745 OD1 ASP A 49 -7.279 -11.161 -6.568 1.00 2.35 O ATOM 746 OD2 ASP A 49 -5.747 -11.873 -5.120 1.00 2.97 O ATOM 0 H ASP A 49 -6.078 -9.038 -3.800 1.00 0.59 H new ATOM 0 HA ASP A 49 -8.494 -9.137 -5.353 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -7.157 -10.988 -3.324 1.00 0.69 H new ATOM 0 HB3 ASP A 49 -8.605 -11.410 -4.216 1.00 0.69 H new ATOM 751 N PRO A 50 -10.193 -8.310 -3.586 1.00 1.00 N ATOM 752 CA PRO A 50 -11.071 -7.710 -2.589 1.00 1.27 C ATOM 753 C PRO A 50 -11.980 -8.750 -1.919 1.00 1.35 C ATOM 754 O PRO A 50 -13.204 -8.669 -2.016 1.00 1.91 O ATOM 755 CB PRO A 50 -11.853 -6.642 -3.360 1.00 1.63 C ATOM 756 CG PRO A 50 -12.004 -7.283 -4.738 1.00 1.56 C ATOM 757 CD PRO A 50 -10.656 -7.979 -4.924 1.00 1.22 C ATOM 0 HA PRO A 50 -10.517 -7.276 -1.757 1.00 1.27 H new ATOM 0 HB2 PRO A 50 -12.819 -6.434 -2.900 1.00 1.63 H new ATOM 0 HB3 PRO A 50 -11.312 -5.697 -3.408 1.00 1.63 H new ATOM 0 HG2 PRO A 50 -12.834 -7.989 -4.769 1.00 1.56 H new ATOM 0 HG3 PRO A 50 -12.188 -6.540 -5.514 1.00 1.56 H new ATOM 0 HD2 PRO A 50 -10.760 -8.876 -5.535 1.00 1.22 H new ATOM 0 HD3 PRO A 50 -9.946 -7.327 -5.433 1.00 1.22 H new ATOM 765 N GLU A 51 -11.382 -9.707 -1.209 1.00 1.19 N ATOM 766 CA GLU A 51 -12.096 -10.741 -0.474 1.00 1.40 C ATOM 767 C GLU A 51 -11.213 -11.291 0.649 1.00 1.29 C ATOM 768 O GLU A 51 -11.429 -10.987 1.820 1.00 2.03 O ATOM 769 CB GLU A 51 -12.598 -11.844 -1.424 1.00 1.64 C ATOM 770 CG GLU A 51 -11.771 -12.042 -2.707 1.00 1.86 C ATOM 771 CD GLU A 51 -12.062 -13.409 -3.305 1.00 2.35 C ATOM 772 OE1 GLU A 51 -11.432 -14.371 -2.815 1.00 2.91 O ATOM 773 OE2 GLU A 51 -12.932 -13.474 -4.199 1.00 3.26 O ATOM 0 H GLU A 51 -10.368 -9.783 -1.130 1.00 1.19 H new ATOM 0 HA GLU A 51 -12.981 -10.305 -0.011 1.00 1.40 H new ATOM 0 HB2 GLU A 51 -12.620 -12.787 -0.878 1.00 1.64 H new ATOM 0 HB3 GLU A 51 -13.626 -11.615 -1.707 1.00 1.64 H new ATOM 0 HG2 GLU A 51 -12.011 -11.261 -3.429 1.00 1.86 H new ATOM 0 HG3 GLU A 51 -10.708 -11.953 -2.482 1.00 1.86 H new ATOM 780 N ILE A 52 -10.214 -12.102 0.294 1.00 0.83 N ATOM 781 CA ILE A 52 -9.309 -12.746 1.239 1.00 0.86 C ATOM 782 C ILE A 52 -8.552 -11.752 2.123 1.00 0.78 C ATOM 783 O ILE A 52 -8.140 -12.104 3.227 1.00 0.95 O ATOM 784 CB ILE A 52 -8.337 -13.684 0.499 1.00 1.06 C ATOM 785 CG1 ILE A 52 -7.589 -12.978 -0.649 1.00 1.49 C ATOM 786 CG2 ILE A 52 -9.100 -14.915 -0.010 1.00 1.77 C ATOM 787 CD1 ILE A 52 -6.407 -13.804 -1.162 1.00 2.13 C ATOM 0 H ILE A 52 -10.010 -12.332 -0.679 1.00 0.83 H new ATOM 0 HA ILE A 52 -9.928 -13.337 1.914 1.00 0.86 H new ATOM 0 HB ILE A 52 -7.572 -14.000 1.208 1.00 1.06 H new ATOM 0 HG12 ILE A 52 -8.281 -12.789 -1.469 1.00 1.49 H new ATOM 0 HG13 ILE A 52 -7.230 -12.008 -0.305 1.00 1.49 H new ATOM 0 HG21 ILE A 52 -8.412 -15.579 -0.534 1.00 1.77 H new ATOM 0 HG22 ILE A 52 -9.542 -15.444 0.834 1.00 1.77 H new ATOM 0 HG23 ILE A 52 -9.888 -14.598 -0.693 1.00 1.77 H new ATOM 0 HD11 ILE A 52 -5.911 -13.266 -1.970 1.00 2.13 H new ATOM 0 HD12 ILE A 52 -5.700 -13.971 -0.349 1.00 2.13 H new ATOM 0 HD13 ILE A 52 -6.767 -14.764 -1.532 1.00 2.13 H new ATOM 799 N ILE A 53 -8.342 -10.531 1.635 1.00 0.83 N ATOM 800 CA ILE A 53 -7.615 -9.480 2.326 1.00 0.84 C ATOM 801 C ILE A 53 -8.401 -8.178 2.181 1.00 0.81 C ATOM 802 O ILE A 53 -9.294 -8.079 1.339 1.00 0.87 O ATOM 803 CB ILE A 53 -6.187 -9.426 1.755 1.00 0.79 C ATOM 804 CG1 ILE A 53 -5.238 -8.646 2.671 1.00 1.00 C ATOM 805 CG2 ILE A 53 -6.171 -8.842 0.335 1.00 0.70 C ATOM 806 CD1 ILE A 53 -3.793 -9.063 2.402 1.00 0.95 C ATOM 0 H ILE A 53 -8.686 -10.242 0.719 1.00 0.83 H new ATOM 0 HA ILE A 53 -7.516 -9.666 3.395 1.00 0.84 H new ATOM 0 HB ILE A 53 -5.828 -10.454 1.702 1.00 0.79 H new ATOM 0 HG12 ILE A 53 -5.354 -7.575 2.502 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -5.491 -8.833 3.715 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -5.147 -8.819 -0.037 1.00 0.70 H new ATOM 0 HG22 ILE A 53 -6.781 -9.463 -0.321 1.00 0.70 H new ATOM 0 HG23 ILE A 53 -6.573 -7.829 0.354 1.00 0.70 H new ATOM 0 HD11 ILE A 53 -3.125 -8.504 3.057 1.00 0.95 H new ATOM 0 HD12 ILE A 53 -3.680 -10.130 2.594 1.00 0.95 H new ATOM 0 HD13 ILE A 53 -3.541 -8.853 1.362 1.00 0.95 H new ATOM 818 N GLY A 54 -8.094 -7.189 3.023 1.00 0.91 N ATOM 819 CA GLY A 54 -8.823 -5.937 3.105 1.00 0.99 C ATOM 820 C GLY A 54 -7.880 -4.829 3.562 1.00 0.76 C ATOM 821 O GLY A 54 -6.705 -5.097 3.828 1.00 0.67 O ATOM 0 H GLY A 54 -7.314 -7.245 3.678 1.00 0.91 H new ATOM 0 HA2 GLY A 54 -9.250 -5.688 2.133 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -9.654 -6.033 3.803 1.00 0.99 H new ATOM 825 N PRO A 55 -8.379 -3.589 3.679 1.00 0.79 N ATOM 826 CA PRO A 55 -7.548 -2.429 3.944 1.00 0.75 C ATOM 827 C PRO A 55 -6.779 -2.576 5.254 1.00 0.73 C ATOM 828 O PRO A 55 -5.609 -2.210 5.324 1.00 0.67 O ATOM 829 CB PRO A 55 -8.493 -1.223 3.941 1.00 0.88 C ATOM 830 CG PRO A 55 -9.865 -1.829 4.241 1.00 1.00 C ATOM 831 CD PRO A 55 -9.780 -3.211 3.593 1.00 0.96 C ATOM 0 HA PRO A 55 -6.776 -2.307 3.185 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.207 -0.490 4.695 1.00 0.88 H new ATOM 0 HB3 PRO A 55 -8.484 -0.711 2.979 1.00 0.88 H new ATOM 0 HG2 PRO A 55 -10.051 -1.897 5.313 1.00 1.00 H new ATOM 0 HG3 PRO A 55 -10.672 -1.232 3.815 1.00 1.00 H new ATOM 0 HD2 PRO A 55 -10.414 -3.929 4.113 1.00 0.96 H new ATOM 0 HD3 PRO A 55 -10.116 -3.181 2.557 1.00 0.96 H new ATOM 839 N ARG A 56 -7.422 -3.111 6.299 1.00 0.82 N ATOM 840 CA ARG A 56 -6.786 -3.193 7.604 1.00 0.93 C ATOM 841 C ARG A 56 -5.497 -4.022 7.576 1.00 0.79 C ATOM 842 O ARG A 56 -4.542 -3.676 8.271 1.00 0.73 O ATOM 843 CB ARG A 56 -7.762 -3.652 8.696 1.00 1.27 C ATOM 844 CG ARG A 56 -7.040 -3.538 10.046 1.00 2.21 C ATOM 845 CD ARG A 56 -7.961 -3.397 11.259 1.00 2.87 C ATOM 846 NE ARG A 56 -7.117 -3.099 12.427 1.00 4.31 N ATOM 847 CZ ARG A 56 -7.233 -2.071 13.280 1.00 5.75 C ATOM 848 NH1 ARG A 56 -8.395 -1.424 13.421 1.00 6.21 N ATOM 849 NH2 ARG A 56 -6.152 -1.705 13.974 1.00 7.19 N ATOM 0 H ARG A 56 -8.369 -3.487 6.261 1.00 0.82 H new ATOM 0 HA ARG A 56 -6.485 -2.179 7.868 1.00 0.93 H new ATOM 0 HB2 ARG A 56 -8.661 -3.035 8.690 1.00 1.27 H new ATOM 0 HB3 ARG A 56 -8.080 -4.679 8.518 1.00 1.27 H new ATOM 0 HG2 ARG A 56 -6.415 -4.421 10.183 1.00 2.21 H new ATOM 0 HG3 ARG A 56 -6.372 -2.677 10.013 1.00 2.21 H new ATOM 0 HD2 ARG A 56 -8.687 -2.600 11.098 1.00 2.87 H new ATOM 0 HD3 ARG A 56 -8.526 -4.315 11.419 1.00 2.87 H new ATOM 0 HE ARG A 56 -6.354 -3.751 12.609 1.00 4.31 H new ATOM 0 HH11 ARG A 56 -9.208 -1.711 12.876 1.00 6.21 H new ATOM 0 HH12 ARG A 56 -8.468 -0.644 14.074 1.00 6.21 H new ATOM 0 HH21 ARG A 56 -5.271 -2.204 13.847 1.00 7.19 H new ATOM 0 HH22 ARG A 56 -6.207 -0.927 14.631 1.00 7.19 H new ATOM 863 N ASP A 57 -5.453 -5.104 6.790 1.00 0.82 N ATOM 864 CA ASP A 57 -4.252 -5.926 6.702 1.00 0.79 C ATOM 865 C ASP A 57 -3.089 -5.089 6.164 1.00 0.69 C ATOM 866 O ASP A 57 -2.022 -5.002 6.779 1.00 0.70 O ATOM 867 CB ASP A 57 -4.529 -7.135 5.809 1.00 0.86 C ATOM 868 CG ASP A 57 -3.324 -8.064 5.780 1.00 2.17 C ATOM 869 OD1 ASP A 57 -2.298 -7.640 5.210 1.00 3.93 O ATOM 870 OD2 ASP A 57 -3.455 -9.176 6.332 1.00 2.65 O ATOM 0 H ASP A 57 -6.230 -5.424 6.213 1.00 0.82 H new ATOM 0 HA ASP A 57 -3.975 -6.287 7.692 1.00 0.79 H new ATOM 0 HB2 ASP A 57 -5.402 -7.674 6.177 1.00 0.86 H new ATOM 0 HB3 ASP A 57 -4.763 -6.802 4.798 1.00 0.86 H new ATOM 875 N ILE A 58 -3.332 -4.409 5.039 1.00 0.66 N ATOM 876 CA ILE A 58 -2.361 -3.504 4.443 1.00 0.60 C ATOM 877 C ILE A 58 -1.950 -2.475 5.487 1.00 0.58 C ATOM 878 O ILE A 58 -0.766 -2.245 5.698 1.00 0.60 O ATOM 879 CB ILE A 58 -2.925 -2.786 3.207 1.00 0.65 C ATOM 880 CG1 ILE A 58 -3.411 -3.780 2.144 1.00 0.61 C ATOM 881 CG2 ILE A 58 -1.850 -1.859 2.609 1.00 0.73 C ATOM 882 CD1 ILE A 58 -4.329 -3.061 1.160 1.00 1.60 C ATOM 0 H ILE A 58 -4.208 -4.475 4.521 1.00 0.66 H new ATOM 0 HA ILE A 58 -1.502 -4.090 4.116 1.00 0.60 H new ATOM 0 HB ILE A 58 -3.785 -2.196 3.525 1.00 0.65 H new ATOM 0 HG12 ILE A 58 -2.560 -4.210 1.616 1.00 0.61 H new ATOM 0 HG13 ILE A 58 -3.943 -4.605 2.618 1.00 0.61 H new ATOM 0 HG21 ILE A 58 -2.254 -1.352 1.733 1.00 0.73 H new ATOM 0 HG22 ILE A 58 -1.553 -1.119 3.352 1.00 0.73 H new ATOM 0 HG23 ILE A 58 -0.981 -2.450 2.318 1.00 0.73 H new ATOM 0 HD11 ILE A 58 -4.675 -3.766 0.404 1.00 1.60 H new ATOM 0 HD12 ILE A 58 -5.186 -2.652 1.695 1.00 1.60 H new ATOM 0 HD13 ILE A 58 -3.782 -2.251 0.678 1.00 1.60 H new ATOM 894 N ILE A 59 -2.925 -1.841 6.138 1.00 0.59 N ATOM 895 CA ILE A 59 -2.647 -0.814 7.122 1.00 0.58 C ATOM 896 C ILE A 59 -1.698 -1.353 8.195 1.00 0.60 C ATOM 897 O ILE A 59 -0.628 -0.785 8.393 1.00 0.60 O ATOM 898 CB ILE A 59 -3.963 -0.231 7.662 1.00 0.61 C ATOM 899 CG1 ILE A 59 -4.544 0.750 6.632 1.00 0.65 C ATOM 900 CG2 ILE A 59 -3.822 0.422 9.045 1.00 0.63 C ATOM 901 CD1 ILE A 59 -6.054 0.909 6.799 1.00 0.66 C ATOM 0 H ILE A 59 -3.918 -2.027 5.995 1.00 0.59 H new ATOM 0 HA ILE A 59 -2.121 0.023 6.663 1.00 0.58 H new ATOM 0 HB ILE A 59 -4.654 -1.061 7.809 1.00 0.61 H new ATOM 0 HG12 ILE A 59 -4.061 1.721 6.740 1.00 0.65 H new ATOM 0 HG13 ILE A 59 -4.324 0.395 5.625 1.00 0.65 H new ATOM 0 HG21 ILE A 59 -4.789 0.812 9.364 1.00 0.63 H new ATOM 0 HG22 ILE A 59 -3.475 -0.320 9.764 1.00 0.63 H new ATOM 0 HG23 ILE A 59 -3.102 1.239 8.990 1.00 0.63 H new ATOM 0 HD11 ILE A 59 -6.431 1.610 6.054 1.00 0.66 H new ATOM 0 HD12 ILE A 59 -6.539 -0.058 6.665 1.00 0.66 H new ATOM 0 HD13 ILE A 59 -6.272 1.289 7.797 1.00 0.66 H new ATOM 913 N HIS A 60 -2.035 -2.488 8.814 1.00 0.64 N ATOM 914 CA HIS A 60 -1.200 -3.103 9.841 1.00 0.67 C ATOM 915 C HIS A 60 0.195 -3.363 9.283 1.00 0.67 C ATOM 916 O HIS A 60 1.205 -3.103 9.939 1.00 0.72 O ATOM 917 CB HIS A 60 -1.828 -4.416 10.332 1.00 0.71 C ATOM 918 CG HIS A 60 -2.818 -4.257 11.458 1.00 1.12 C ATOM 919 ND1 HIS A 60 -2.921 -5.095 12.544 1.00 2.66 N ATOM 920 CD2 HIS A 60 -3.730 -3.249 11.625 1.00 1.65 C ATOM 921 CE1 HIS A 60 -3.882 -4.607 13.345 1.00 2.89 C ATOM 922 NE2 HIS A 60 -4.416 -3.487 12.826 1.00 2.11 N ATOM 0 H HIS A 60 -2.893 -3.003 8.616 1.00 0.64 H new ATOM 0 HA HIS A 60 -1.125 -2.421 10.688 1.00 0.67 H new ATOM 0 HB2 HIS A 60 -2.327 -4.901 9.493 1.00 0.71 H new ATOM 0 HB3 HIS A 60 -1.031 -5.085 10.658 1.00 0.71 H new ATOM 0 HD1 HIS A 60 -2.367 -5.935 12.711 1.00 2.66 H new ATOM 0 HD2 HIS A 60 -3.892 -2.419 10.953 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -4.185 -5.054 14.280 1.00 2.89 H new ATOM 930 N THR A 61 0.247 -3.878 8.058 1.00 0.64 N ATOM 931 CA THR A 61 1.498 -4.174 7.387 1.00 0.67 C ATOM 932 C THR A 61 2.350 -2.903 7.262 1.00 0.67 C ATOM 933 O THR A 61 3.499 -2.883 7.697 1.00 0.78 O ATOM 934 CB THR A 61 1.184 -4.857 6.050 1.00 0.71 C ATOM 935 OG1 THR A 61 0.516 -6.076 6.302 1.00 0.78 O ATOM 936 CG2 THR A 61 2.446 -5.168 5.240 1.00 0.78 C ATOM 0 H THR A 61 -0.581 -4.100 7.506 1.00 0.64 H new ATOM 0 HA THR A 61 2.105 -4.869 7.968 1.00 0.67 H new ATOM 0 HB THR A 61 0.567 -4.169 5.472 1.00 0.71 H new ATOM 0 HG1 THR A 61 -0.427 -5.897 6.500 1.00 0.78 H new ATOM 0 HG21 THR A 61 2.167 -5.651 4.303 1.00 0.78 H new ATOM 0 HG22 THR A 61 2.979 -4.241 5.026 1.00 0.78 H new ATOM 0 HG23 THR A 61 3.091 -5.834 5.813 1.00 0.78 H new ATOM 944 N ILE A 62 1.805 -1.827 6.693 1.00 0.57 N ATOM 945 CA ILE A 62 2.534 -0.586 6.468 1.00 0.58 C ATOM 946 C ILE A 62 2.924 0.078 7.798 1.00 0.59 C ATOM 947 O ILE A 62 4.048 0.568 7.933 1.00 0.65 O ATOM 948 CB ILE A 62 1.722 0.332 5.538 1.00 0.55 C ATOM 949 CG1 ILE A 62 1.455 -0.287 4.151 1.00 0.60 C ATOM 950 CG2 ILE A 62 2.414 1.686 5.362 1.00 0.57 C ATOM 951 CD1 ILE A 62 2.712 -0.703 3.384 1.00 1.97 C ATOM 0 H ILE A 62 0.837 -1.796 6.374 1.00 0.57 H new ATOM 0 HA ILE A 62 3.476 -0.801 5.963 1.00 0.58 H new ATOM 0 HB ILE A 62 0.758 0.468 6.028 1.00 0.55 H new ATOM 0 HG12 ILE A 62 0.816 -1.161 4.275 1.00 0.60 H new ATOM 0 HG13 ILE A 62 0.899 0.431 3.548 1.00 0.60 H new ATOM 0 HG21 ILE A 62 1.819 2.315 4.700 1.00 0.57 H new ATOM 0 HG22 ILE A 62 2.514 2.172 6.332 1.00 0.57 H new ATOM 0 HG23 ILE A 62 3.403 1.536 4.928 1.00 0.57 H new ATOM 0 HD11 ILE A 62 2.427 -1.127 2.421 1.00 1.97 H new ATOM 0 HD12 ILE A 62 3.345 0.169 3.223 1.00 1.97 H new ATOM 0 HD13 ILE A 62 3.260 -1.448 3.961 1.00 1.97 H new ATOM 963 N GLU A 63 2.030 0.057 8.794 1.00 0.57 N ATOM 964 CA GLU A 63 2.360 0.455 10.157 1.00 0.60 C ATOM 965 C GLU A 63 3.584 -0.329 10.639 1.00 0.64 C ATOM 966 O GLU A 63 4.540 0.261 11.134 1.00 0.70 O ATOM 967 CB GLU A 63 1.152 0.244 11.085 1.00 0.65 C ATOM 968 CG GLU A 63 0.027 1.255 10.817 1.00 1.31 C ATOM 969 CD GLU A 63 -1.213 0.971 11.662 1.00 2.00 C ATOM 970 OE1 GLU A 63 -1.680 -0.188 11.634 1.00 2.76 O ATOM 971 OE2 GLU A 63 -1.679 1.922 12.324 1.00 2.98 O ATOM 0 H GLU A 63 1.061 -0.237 8.672 1.00 0.57 H new ATOM 0 HA GLU A 63 2.605 1.517 10.176 1.00 0.60 H new ATOM 0 HB2 GLU A 63 0.768 -0.767 10.953 1.00 0.65 H new ATOM 0 HB3 GLU A 63 1.475 0.329 12.123 1.00 0.65 H new ATOM 0 HG2 GLU A 63 0.387 2.262 11.029 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -0.240 1.228 9.761 1.00 1.31 H new ATOM 978 N SER A 64 3.578 -1.655 10.465 1.00 0.68 N ATOM 979 CA SER A 64 4.700 -2.501 10.854 1.00 0.80 C ATOM 980 C SER A 64 5.981 -2.141 10.090 1.00 0.83 C ATOM 981 O SER A 64 7.054 -2.106 10.687 1.00 0.95 O ATOM 982 CB SER A 64 4.352 -3.985 10.689 1.00 0.92 C ATOM 983 OG SER A 64 3.189 -4.303 11.428 1.00 2.09 O ATOM 0 H SER A 64 2.797 -2.165 10.052 1.00 0.68 H new ATOM 0 HA SER A 64 4.896 -2.316 11.910 1.00 0.80 H new ATOM 0 HB2 SER A 64 4.195 -4.213 9.635 1.00 0.92 H new ATOM 0 HB3 SER A 64 5.185 -4.601 11.027 1.00 0.92 H new ATOM 0 HG SER A 64 2.404 -3.918 10.984 1.00 2.09 H new ATOM 989 N LEU A 65 5.893 -1.887 8.778 1.00 0.82 N ATOM 990 CA LEU A 65 7.050 -1.434 8.007 1.00 0.92 C ATOM 991 C LEU A 65 7.568 -0.094 8.534 1.00 0.91 C ATOM 992 O LEU A 65 8.778 0.127 8.552 1.00 1.23 O ATOM 993 CB LEU A 65 6.740 -1.326 6.506 1.00 0.92 C ATOM 994 CG LEU A 65 6.355 -2.642 5.812 1.00 0.96 C ATOM 995 CD1 LEU A 65 6.235 -2.390 4.304 1.00 1.10 C ATOM 996 CD2 LEU A 65 7.368 -3.766 6.059 1.00 1.14 C ATOM 0 H LEU A 65 5.036 -1.988 8.234 1.00 0.82 H new ATOM 0 HA LEU A 65 7.826 -2.189 8.132 1.00 0.92 H new ATOM 0 HB2 LEU A 65 5.926 -0.613 6.372 1.00 0.92 H new ATOM 0 HB3 LEU A 65 7.613 -0.912 6.002 1.00 0.92 H new ATOM 0 HG LEU A 65 5.405 -2.970 6.235 1.00 0.96 H new ATOM 0 HD11 LEU A 65 5.962 -3.318 3.801 1.00 1.10 H new ATOM 0 HD12 LEU A 65 5.467 -1.638 4.121 1.00 1.10 H new ATOM 0 HD13 LEU A 65 7.190 -2.035 3.917 1.00 1.10 H new ATOM 0 HD21 LEU A 65 7.042 -4.669 5.544 1.00 1.14 H new ATOM 0 HD22 LEU A 65 8.345 -3.465 5.680 1.00 1.14 H new ATOM 0 HD23 LEU A 65 7.439 -3.964 7.129 1.00 1.14 H new ATOM 1008 N GLY A 66 6.661 0.788 8.958 1.00 0.69 N ATOM 1009 CA GLY A 66 6.992 2.033 9.636 1.00 0.71 C ATOM 1010 C GLY A 66 6.666 3.249 8.776 1.00 0.66 C ATOM 1011 O GLY A 66 7.475 4.169 8.677 1.00 0.81 O ATOM 0 H GLY A 66 5.658 0.650 8.835 1.00 0.69 H new ATOM 0 HA2 GLY A 66 6.441 2.093 10.575 1.00 0.71 H new ATOM 0 HA3 GLY A 66 8.053 2.039 9.888 1.00 0.71 H new ATOM 1015 N PHE A 67 5.465 3.274 8.193 1.00 0.52 N ATOM 1016 CA PHE A 67 4.898 4.455 7.551 1.00 0.50 C ATOM 1017 C PHE A 67 3.447 4.553 8.022 1.00 0.49 C ATOM 1018 O PHE A 67 2.911 3.549 8.484 1.00 0.54 O ATOM 1019 CB PHE A 67 4.979 4.318 6.025 1.00 0.48 C ATOM 1020 CG PHE A 67 6.318 3.850 5.480 1.00 0.51 C ATOM 1021 CD1 PHE A 67 7.347 4.780 5.248 1.00 1.62 C ATOM 1022 CD2 PHE A 67 6.550 2.482 5.240 1.00 1.93 C ATOM 1023 CE1 PHE A 67 8.582 4.355 4.726 1.00 1.54 C ATOM 1024 CE2 PHE A 67 7.789 2.057 4.726 1.00 2.05 C ATOM 1025 CZ PHE A 67 8.796 2.996 4.446 1.00 0.70 C ATOM 0 H PHE A 67 4.852 2.460 8.155 1.00 0.52 H new ATOM 0 HA PHE A 67 5.447 5.358 7.818 1.00 0.50 H new ATOM 0 HB2 PHE A 67 4.209 3.618 5.699 1.00 0.48 H new ATOM 0 HB3 PHE A 67 4.742 5.283 5.578 1.00 0.48 H new ATOM 0 HD1 PHE A 67 7.188 5.825 5.472 1.00 1.62 H new ATOM 0 HD2 PHE A 67 5.776 1.758 5.451 1.00 1.93 H new ATOM 0 HE1 PHE A 67 9.366 5.074 4.541 1.00 1.54 H new ATOM 0 HE2 PHE A 67 7.966 1.007 4.546 1.00 2.05 H new ATOM 0 HZ PHE A 67 9.733 2.673 4.016 1.00 0.70 H new ATOM 1035 N GLU A 68 2.807 5.720 7.911 1.00 0.53 N ATOM 1036 CA GLU A 68 1.432 5.924 8.333 1.00 0.56 C ATOM 1037 C GLU A 68 0.494 5.811 7.121 1.00 0.53 C ATOM 1038 O GLU A 68 0.465 6.746 6.316 1.00 0.59 O ATOM 1039 CB GLU A 68 1.294 7.334 8.907 1.00 0.70 C ATOM 1040 CG GLU A 68 2.318 7.768 9.968 1.00 1.28 C ATOM 1041 CD GLU A 68 2.168 9.261 10.231 1.00 1.98 C ATOM 1042 OE1 GLU A 68 1.057 9.785 9.977 1.00 2.42 O ATOM 1043 OE2 GLU A 68 3.177 9.927 10.561 1.00 3.26 O ATOM 0 H GLU A 68 3.241 6.556 7.520 1.00 0.53 H new ATOM 0 HA GLU A 68 1.171 5.173 9.079 1.00 0.56 H new ATOM 0 HB2 GLU A 68 1.346 8.041 8.079 1.00 0.70 H new ATOM 0 HB3 GLU A 68 0.299 7.425 9.342 1.00 0.70 H new ATOM 0 HG2 GLU A 68 2.164 7.207 10.890 1.00 1.28 H new ATOM 0 HG3 GLU A 68 3.329 7.547 9.626 1.00 1.28 H new ATOM 1050 N PRO A 69 -0.270 4.721 6.952 1.00 0.54 N ATOM 1051 CA PRO A 69 -1.222 4.591 5.862 1.00 0.61 C ATOM 1052 C PRO A 69 -2.550 5.262 6.238 1.00 0.77 C ATOM 1053 O PRO A 69 -3.047 5.069 7.345 1.00 1.56 O ATOM 1054 CB PRO A 69 -1.397 3.085 5.683 1.00 0.61 C ATOM 1055 CG PRO A 69 -1.249 2.560 7.107 1.00 0.59 C ATOM 1056 CD PRO A 69 -0.266 3.520 7.770 1.00 0.57 C ATOM 0 HA PRO A 69 -0.883 5.072 4.944 1.00 0.61 H new ATOM 0 HB2 PRO A 69 -2.370 2.838 5.259 1.00 0.61 H new ATOM 0 HB3 PRO A 69 -0.643 2.666 5.016 1.00 0.61 H new ATOM 0 HG2 PRO A 69 -2.207 2.551 7.628 1.00 0.59 H new ATOM 0 HG3 PRO A 69 -0.872 1.537 7.115 1.00 0.59 H new ATOM 0 HD2 PRO A 69 -0.568 3.743 8.793 1.00 0.57 H new ATOM 0 HD3 PRO A 69 0.732 3.085 7.820 1.00 0.57 H new ATOM 1064 N SER A 70 -3.153 6.024 5.321 1.00 0.53 N ATOM 1065 CA SER A 70 -4.495 6.571 5.501 1.00 0.67 C ATOM 1066 C SER A 70 -5.191 6.638 4.141 1.00 0.55 C ATOM 1067 O SER A 70 -4.596 7.122 3.185 1.00 0.47 O ATOM 1068 CB SER A 70 -4.398 7.950 6.159 1.00 0.98 C ATOM 1069 OG SER A 70 -5.691 8.423 6.484 1.00 2.53 O ATOM 0 H SER A 70 -2.721 6.278 4.432 1.00 0.53 H new ATOM 0 HA SER A 70 -5.087 5.931 6.155 1.00 0.67 H new ATOM 0 HB2 SER A 70 -3.787 7.890 7.059 1.00 0.98 H new ATOM 0 HB3 SER A 70 -3.905 8.650 5.485 1.00 0.98 H new ATOM 0 HG SER A 70 -5.620 9.305 6.906 1.00 2.53 H new ATOM 1075 N LEU A 71 -6.417 6.119 4.030 1.00 0.85 N ATOM 1076 CA LEU A 71 -7.164 6.005 2.787 1.00 1.02 C ATOM 1077 C LEU A 71 -7.267 7.366 2.094 1.00 1.41 C ATOM 1078 O LEU A 71 -7.684 8.334 2.728 1.00 2.15 O ATOM 1079 CB LEU A 71 -8.566 5.485 3.117 1.00 1.66 C ATOM 1080 CG LEU A 71 -8.646 4.057 3.686 1.00 1.52 C ATOM 1081 CD1 LEU A 71 -8.213 3.003 2.660 1.00 2.78 C ATOM 1082 CD2 LEU A 71 -7.950 3.801 5.028 1.00 2.09 C ATOM 0 H LEU A 71 -6.929 5.756 4.834 1.00 0.85 H new ATOM 0 HA LEU A 71 -6.651 5.319 2.113 1.00 1.02 H new ATOM 0 HB2 LEU A 71 -9.023 6.166 3.835 1.00 1.66 H new ATOM 0 HB3 LEU A 71 -9.169 5.526 2.210 1.00 1.66 H new ATOM 0 HG LEU A 71 -9.709 3.958 3.906 1.00 1.52 H new ATOM 0 HD11 LEU A 71 -8.285 2.011 3.105 1.00 2.78 H new ATOM 0 HD12 LEU A 71 -8.863 3.057 1.786 1.00 2.78 H new ATOM 0 HD13 LEU A 71 -7.183 3.191 2.358 1.00 2.78 H new ATOM 0 HD21 LEU A 71 -8.083 2.758 5.314 1.00 2.09 H new ATOM 0 HD22 LEU A 71 -6.886 4.019 4.933 1.00 2.09 H new ATOM 0 HD23 LEU A 71 -8.385 4.445 5.792 1.00 2.09 H new ATOM 1094 N VAL A 72 -6.895 7.455 0.809 1.00 1.71 N ATOM 1095 CA VAL A 72 -6.962 8.727 0.089 1.00 2.16 C ATOM 1096 C VAL A 72 -8.348 8.912 -0.536 1.00 1.58 C ATOM 1097 O VAL A 72 -8.910 9.999 -0.455 1.00 2.12 O ATOM 1098 CB VAL A 72 -5.799 8.876 -0.911 1.00 3.26 C ATOM 1099 CG1 VAL A 72 -6.026 8.129 -2.225 1.00 4.87 C ATOM 1100 CG2 VAL A 72 -5.544 10.354 -1.232 1.00 4.22 C ATOM 0 H VAL A 72 -6.550 6.671 0.256 1.00 1.71 H new ATOM 0 HA VAL A 72 -6.831 9.545 0.798 1.00 2.16 H new ATOM 0 HB VAL A 72 -4.934 8.432 -0.418 1.00 3.26 H new ATOM 0 HG11 VAL A 72 -5.168 8.278 -2.881 1.00 4.87 H new ATOM 0 HG12 VAL A 72 -6.148 7.065 -2.022 1.00 4.87 H new ATOM 0 HG13 VAL A 72 -6.924 8.511 -2.710 1.00 4.87 H new ATOM 0 HG21 VAL A 72 -4.719 10.436 -1.940 1.00 4.22 H new ATOM 0 HG22 VAL A 72 -6.442 10.792 -1.669 1.00 4.22 H new ATOM 0 HG23 VAL A 72 -5.290 10.887 -0.316 1.00 4.22 H new ATOM 1110 N LYS A 73 -8.890 7.852 -1.149 1.00 1.36 N ATOM 1111 CA LYS A 73 -10.224 7.776 -1.731 1.00 1.64 C ATOM 1112 C LYS A 73 -10.562 6.288 -1.924 1.00 2.72 C ATOM 1113 O LYS A 73 -9.899 5.444 -1.320 1.00 3.71 O ATOM 1114 CB LYS A 73 -10.330 8.630 -3.022 1.00 2.83 C ATOM 1115 CG LYS A 73 -10.757 10.100 -2.832 1.00 4.28 C ATOM 1116 CD LYS A 73 -11.800 10.387 -1.731 1.00 5.03 C ATOM 1117 CE LYS A 73 -13.075 9.522 -1.789 1.00 5.32 C ATOM 1118 NZ LYS A 73 -13.607 9.249 -0.435 1.00 6.10 N ATOM 0 H LYS A 73 -8.375 6.978 -1.255 1.00 1.36 H new ATOM 0 HA LYS A 73 -10.971 8.210 -1.066 1.00 1.64 H new ATOM 0 HB2 LYS A 73 -9.362 8.616 -3.522 1.00 2.83 H new ATOM 0 HB3 LYS A 73 -11.042 8.150 -3.693 1.00 2.83 H new ATOM 0 HG2 LYS A 73 -9.865 10.687 -2.615 1.00 4.28 H new ATOM 0 HG3 LYS A 73 -11.155 10.463 -3.780 1.00 4.28 H new ATOM 0 HD2 LYS A 73 -11.327 10.243 -0.759 1.00 5.03 H new ATOM 0 HD3 LYS A 73 -12.089 11.436 -1.792 1.00 5.03 H new ATOM 0 HE2 LYS A 73 -13.834 10.030 -2.384 1.00 5.32 H new ATOM 0 HE3 LYS A 73 -12.854 8.580 -2.291 1.00 5.32 H new ATOM 0 HZ1 LYS A 73 -14.346 8.520 -0.493 1.00 6.10 H new ATOM 0 HZ2 LYS A 73 -12.838 8.914 0.179 1.00 6.10 H new ATOM 0 HZ3 LYS A 73 -14.012 10.121 -0.039 1.00 6.10 H new ATOM 1132 N ILE A 74 -11.603 5.965 -2.705 1.00 3.83 N ATOM 1133 CA ILE A 74 -12.267 4.664 -2.787 1.00 5.80 C ATOM 1134 C ILE A 74 -13.152 4.502 -1.555 1.00 6.47 C ATOM 1135 O ILE A 74 -14.365 4.371 -1.698 1.00 7.03 O ATOM 1136 CB ILE A 74 -11.316 3.481 -3.054 1.00 7.13 C ATOM 1137 CG1 ILE A 74 -10.411 3.735 -4.276 1.00 7.37 C ATOM 1138 CG2 ILE A 74 -12.125 2.188 -3.239 1.00 8.80 C ATOM 1139 CD1 ILE A 74 -11.155 4.030 -5.583 1.00 7.71 C ATOM 0 H ILE A 74 -12.026 6.649 -3.332 1.00 3.83 H new ATOM 0 HA ILE A 74 -12.898 4.644 -3.675 1.00 5.80 H new ATOM 0 HB ILE A 74 -10.664 3.375 -2.187 1.00 7.13 H new ATOM 0 HG12 ILE A 74 -9.752 4.574 -4.053 1.00 7.37 H new ATOM 0 HG13 ILE A 74 -9.776 2.862 -4.426 1.00 7.37 H new ATOM 0 HG21 ILE A 74 -11.445 1.357 -3.427 1.00 8.80 H new ATOM 0 HG22 ILE A 74 -12.702 1.987 -2.336 1.00 8.80 H new ATOM 0 HG23 ILE A 74 -12.803 2.301 -4.085 1.00 8.80 H new ATOM 0 HD11 ILE A 74 -10.433 4.195 -6.383 1.00 7.71 H new ATOM 0 HD12 ILE A 74 -11.793 3.183 -5.838 1.00 7.71 H new ATOM 0 HD13 ILE A 74 -11.769 4.922 -5.459 1.00 7.71 H new ATOM 1151 N GLU A 75 -12.554 4.630 -0.371 1.00 7.02 N ATOM 1152 CA GLU A 75 -13.286 5.037 0.811 1.00 7.94 C ATOM 1153 C GLU A 75 -13.474 6.554 0.688 1.00 7.57 C ATOM 1154 O GLU A 75 -14.583 7.021 0.342 1.00 7.72 O ATOM 1155 CB GLU A 75 -12.502 4.644 2.074 1.00 8.95 C ATOM 1156 CG GLU A 75 -11.970 3.200 2.039 1.00 9.98 C ATOM 1157 CD GLU A 75 -13.056 2.159 1.798 1.00 10.87 C ATOM 1158 OE1 GLU A 75 -14.053 2.199 2.551 1.00 11.47 O ATOM 1159 OE2 GLU A 75 -12.847 1.320 0.896 1.00 11.29 O ATOM 1160 OXT GLU A 75 -12.465 7.289 0.802 1.00 7.44 O ATOM 0 H GLU A 75 -11.562 4.455 -0.213 1.00 7.02 H new ATOM 0 HA GLU A 75 -14.255 4.545 0.892 1.00 7.94 H new ATOM 0 HB2 GLU A 75 -11.664 5.329 2.200 1.00 8.95 H new ATOM 0 HB3 GLU A 75 -13.146 4.765 2.945 1.00 8.95 H new ATOM 0 HG2 GLU A 75 -11.218 3.117 1.255 1.00 9.98 H new ATOM 0 HG3 GLU A 75 -11.471 2.982 2.983 1.00 9.98 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.529 6.541 1.308 1.00 0.88 CU