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 45 HIS : no HE2:sc= 0.976 K(o=2,f=-20!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -156:sc= 0.998 (180deg=-0.0221) USER MOD Set 2.1: A 34 TYR OH : rot -127:sc= 1.15 USER MOD Set 2.2: A 36 SER OG : rot 84:sc= 2.44 USER MOD Set 3.1: A 29 HIS : no HE2:sc= -0.0547 K(o=0.97,f=-6.5!) USER MOD Set 3.2: A 61 THR OG1 : rot 77:sc= 1.02 USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= 0.108 USER MOD Set 4.2: A 15 CYS SG : rot 71:sc= 0.112 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.0999 (180deg=-0.747!) USER MOD Single : A 13 MET CE :methyl 172:sc= -1.51 (180deg=-1.85) USER MOD Single : A 17 SER OG : rot 180:sc= 0.117 USER MOD Single : A 18 CYS SG : rot -91:sc= 0.298 USER MOD Single : A 20 HIS : no HD1:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 85:sc= 0.342 USER MOD Single : A 27 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 171:sc= -0.665 USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.952 USER MOD Single : A 42 ASN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1 (180deg=1) USER MOD Single : A 48 TYR OH : rot 0:sc= -0.098 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.238 4.024 -18.961 1.00 6.29 N ATOM 2 CA MET A 1 5.685 3.804 -19.124 1.00 5.45 C ATOM 3 C MET A 1 6.438 4.610 -18.062 1.00 4.19 C ATOM 4 O MET A 1 6.813 5.753 -18.301 1.00 4.50 O ATOM 5 CB MET A 1 6.154 4.146 -20.546 1.00 5.98 C ATOM 6 CG MET A 1 5.624 3.150 -21.587 1.00 7.41 C ATOM 7 SD MET A 1 6.251 3.426 -23.262 1.00 8.19 S ATOM 8 CE MET A 1 5.446 2.059 -24.127 1.00 9.76 C ATOM 0 H1 MET A 1 3.728 3.139 -19.158 1.00 6.29 H new ATOM 0 H2 MET A 1 4.041 4.327 -17.986 1.00 6.29 H new ATOM 0 H3 MET A 1 3.922 4.761 -19.623 1.00 6.29 H new ATOM 0 HA MET A 1 5.903 2.746 -18.981 1.00 5.45 H new ATOM 0 HB2 MET A 1 5.821 5.151 -20.805 1.00 5.98 H new ATOM 0 HB3 MET A 1 7.244 4.154 -20.575 1.00 5.98 H new ATOM 0 HG2 MET A 1 5.887 2.140 -21.274 1.00 7.41 H new ATOM 0 HG3 MET A 1 4.536 3.205 -21.605 1.00 7.41 H new ATOM 0 HE1 MET A 1 5.726 2.080 -25.180 1.00 9.76 H new ATOM 0 HE2 MET A 1 5.761 1.113 -23.686 1.00 9.76 H new ATOM 0 HE3 MET A 1 4.364 2.158 -24.037 1.00 9.76 H new ATOM 20 N GLY A 2 6.597 4.018 -16.882 1.00 3.93 N ATOM 21 CA GLY A 2 7.116 4.632 -15.672 1.00 3.85 C ATOM 22 C GLY A 2 6.304 4.020 -14.539 1.00 3.21 C ATOM 23 O GLY A 2 6.707 3.003 -13.980 1.00 3.93 O ATOM 0 H GLY A 2 6.351 3.038 -16.740 1.00 3.93 H new ATOM 0 HA2 GLY A 2 8.180 4.427 -15.551 1.00 3.85 H new ATOM 0 HA3 GLY A 2 7.001 5.716 -15.699 1.00 3.85 H new ATOM 27 N ASP A 3 5.108 4.575 -14.308 1.00 2.67 N ATOM 28 CA ASP A 3 3.921 3.889 -13.791 1.00 2.35 C ATOM 29 C ASP A 3 3.968 3.596 -12.286 1.00 1.62 C ATOM 30 O ASP A 3 3.014 3.892 -11.569 1.00 3.09 O ATOM 31 CB ASP A 3 3.600 2.629 -14.618 1.00 3.65 C ATOM 32 CG ASP A 3 3.689 2.873 -16.116 1.00 4.57 C ATOM 33 OD1 ASP A 3 2.953 3.725 -16.656 1.00 4.96 O ATOM 34 OD2 ASP A 3 4.582 2.304 -16.778 1.00 5.62 O ATOM 0 H ASP A 3 4.935 5.564 -14.486 1.00 2.67 H new ATOM 0 HA ASP A 3 3.097 4.593 -13.910 1.00 2.35 H new ATOM 0 HB2 ASP A 3 4.291 1.832 -14.342 1.00 3.65 H new ATOM 0 HB3 ASP A 3 2.597 2.282 -14.369 1.00 3.65 H new ATOM 39 N GLY A 4 5.056 2.986 -11.809 1.00 1.31 N ATOM 40 CA GLY A 4 5.286 2.702 -10.403 1.00 1.41 C ATOM 41 C GLY A 4 4.156 1.865 -9.810 1.00 1.26 C ATOM 42 O GLY A 4 3.603 2.195 -8.763 1.00 1.97 O ATOM 0 H GLY A 4 5.817 2.671 -12.411 1.00 1.31 H new ATOM 0 HA2 GLY A 4 6.232 2.173 -10.288 1.00 1.41 H new ATOM 0 HA3 GLY A 4 5.375 3.638 -9.851 1.00 1.41 H new ATOM 46 N VAL A 5 3.815 0.772 -10.499 1.00 0.91 N ATOM 47 CA VAL A 5 2.790 -0.164 -10.070 1.00 1.01 C ATOM 48 C VAL A 5 3.431 -1.180 -9.128 1.00 1.33 C ATOM 49 O VAL A 5 3.952 -2.199 -9.576 1.00 2.31 O ATOM 50 CB VAL A 5 2.133 -0.834 -11.289 1.00 1.22 C ATOM 51 CG1 VAL A 5 0.965 -1.706 -10.826 1.00 2.98 C ATOM 52 CG2 VAL A 5 1.635 0.209 -12.297 1.00 3.07 C ATOM 0 H VAL A 5 4.254 0.515 -11.383 1.00 0.91 H new ATOM 0 HA VAL A 5 1.995 0.356 -9.535 1.00 1.01 H new ATOM 0 HB VAL A 5 2.882 -1.452 -11.785 1.00 1.22 H new ATOM 0 HG11 VAL A 5 0.500 -2.180 -11.690 1.00 2.98 H new ATOM 0 HG12 VAL A 5 1.332 -2.474 -10.144 1.00 2.98 H new ATOM 0 HG13 VAL A 5 0.230 -1.086 -10.313 1.00 2.98 H new ATOM 0 HG21 VAL A 5 1.176 -0.296 -13.147 1.00 3.07 H new ATOM 0 HG22 VAL A 5 0.899 0.855 -11.818 1.00 3.07 H new ATOM 0 HG23 VAL A 5 2.475 0.811 -12.643 1.00 3.07 H new ATOM 62 N LEU A 6 3.400 -0.900 -7.827 1.00 0.73 N ATOM 63 CA LEU A 6 3.960 -1.769 -6.807 1.00 0.93 C ATOM 64 C LEU A 6 2.801 -2.402 -6.045 1.00 0.71 C ATOM 65 O LEU A 6 2.079 -1.718 -5.319 1.00 0.65 O ATOM 66 CB LEU A 6 4.888 -0.950 -5.901 1.00 1.20 C ATOM 67 CG LEU A 6 6.015 -1.768 -5.245 1.00 1.97 C ATOM 68 CD1 LEU A 6 7.013 -2.311 -6.281 1.00 2.98 C ATOM 69 CD2 LEU A 6 6.781 -0.847 -4.288 1.00 2.35 C ATOM 0 H LEU A 6 2.978 -0.050 -7.452 1.00 0.73 H new ATOM 0 HA LEU A 6 4.562 -2.568 -7.239 1.00 0.93 H new ATOM 0 HB2 LEU A 6 5.332 -0.146 -6.487 1.00 1.20 H new ATOM 0 HB3 LEU A 6 4.292 -0.481 -5.118 1.00 1.20 H new ATOM 0 HG LEU A 6 5.562 -2.614 -4.728 1.00 1.97 H new ATOM 0 HD11 LEU A 6 7.791 -2.882 -5.773 1.00 2.98 H new ATOM 0 HD12 LEU A 6 6.490 -2.958 -6.986 1.00 2.98 H new ATOM 0 HD13 LEU A 6 7.467 -1.479 -6.820 1.00 2.98 H new ATOM 0 HD21 LEU A 6 7.586 -1.406 -3.811 1.00 2.35 H new ATOM 0 HD22 LEU A 6 7.202 -0.011 -4.847 1.00 2.35 H new ATOM 0 HD23 LEU A 6 6.101 -0.468 -3.525 1.00 2.35 H new ATOM 81 N GLU A 7 2.613 -3.714 -6.205 1.00 0.98 N ATOM 82 CA GLU A 7 1.775 -4.443 -5.275 1.00 0.95 C ATOM 83 C GLU A 7 2.618 -4.802 -4.070 1.00 0.85 C ATOM 84 O GLU A 7 3.738 -5.271 -4.249 1.00 0.94 O ATOM 85 CB GLU A 7 1.174 -5.702 -5.879 1.00 1.40 C ATOM 86 CG GLU A 7 0.490 -5.377 -7.199 1.00 1.11 C ATOM 87 CD GLU A 7 -0.558 -6.419 -7.543 1.00 1.43 C ATOM 88 OE1 GLU A 7 -0.357 -7.601 -7.187 1.00 2.77 O ATOM 89 OE2 GLU A 7 -1.653 -6.041 -8.024 1.00 2.11 O ATOM 0 H GLU A 7 3.022 -4.274 -6.953 1.00 0.98 H new ATOM 0 HA GLU A 7 0.935 -3.805 -4.999 1.00 0.95 H new ATOM 0 HB2 GLU A 7 1.955 -6.446 -6.039 1.00 1.40 H new ATOM 0 HB3 GLU A 7 0.455 -6.139 -5.186 1.00 1.40 H new ATOM 0 HG2 GLU A 7 0.023 -4.394 -7.138 1.00 1.11 H new ATOM 0 HG3 GLU A 7 1.233 -5.328 -7.995 1.00 1.11 H new ATOM 96 N LEU A 8 2.094 -4.616 -2.863 1.00 0.76 N ATOM 97 CA LEU A 8 2.701 -5.155 -1.659 1.00 0.71 C ATOM 98 C LEU A 8 1.829 -6.312 -1.188 1.00 0.53 C ATOM 99 O LEU A 8 0.626 -6.109 -1.050 1.00 0.59 O ATOM 100 CB LEU A 8 2.808 -4.087 -0.560 1.00 1.07 C ATOM 101 CG LEU A 8 3.752 -2.903 -0.845 1.00 1.03 C ATOM 102 CD1 LEU A 8 3.262 -1.985 -1.971 1.00 2.79 C ATOM 103 CD2 LEU A 8 3.876 -2.078 0.440 1.00 1.73 C ATOM 0 H LEU A 8 1.238 -4.088 -2.696 1.00 0.76 H new ATOM 0 HA LEU A 8 3.715 -5.493 -1.874 1.00 0.71 H new ATOM 0 HB2 LEU A 8 1.810 -3.691 -0.370 1.00 1.07 H new ATOM 0 HB3 LEU A 8 3.138 -4.573 0.358 1.00 1.07 H new ATOM 0 HG LEU A 8 4.707 -3.317 -1.169 1.00 1.03 H new ATOM 0 HD11 LEU A 8 3.976 -1.174 -2.116 1.00 2.79 H new ATOM 0 HD12 LEU A 8 3.171 -2.558 -2.894 1.00 2.79 H new ATOM 0 HD13 LEU A 8 2.290 -1.569 -1.705 1.00 2.79 H new ATOM 0 HD21 LEU A 8 4.540 -1.231 0.266 1.00 1.73 H new ATOM 0 HD22 LEU A 8 2.892 -1.713 0.734 1.00 1.73 H new ATOM 0 HD23 LEU A 8 4.284 -2.702 1.235 1.00 1.73 H new ATOM 115 N VAL A 9 2.401 -7.487 -0.898 1.00 0.54 N ATOM 116 CA VAL A 9 1.675 -8.486 -0.114 1.00 0.57 C ATOM 117 C VAL A 9 1.712 -8.049 1.348 1.00 0.67 C ATOM 118 O VAL A 9 2.776 -7.681 1.843 1.00 0.83 O ATOM 119 CB VAL A 9 2.200 -9.920 -0.317 1.00 0.77 C ATOM 120 CG1 VAL A 9 1.644 -10.515 -1.612 1.00 3.17 C ATOM 121 CG2 VAL A 9 3.719 -10.073 -0.225 1.00 2.47 C ATOM 0 H VAL A 9 3.340 -7.762 -1.187 1.00 0.54 H new ATOM 0 HA VAL A 9 0.643 -8.532 -0.462 1.00 0.57 H new ATOM 0 HB VAL A 9 1.826 -10.493 0.531 1.00 0.77 H new ATOM 0 HG11 VAL A 9 2.025 -11.528 -1.740 1.00 3.17 H new ATOM 0 HG12 VAL A 9 0.555 -10.540 -1.563 1.00 3.17 H new ATOM 0 HG13 VAL A 9 1.955 -9.901 -2.457 1.00 3.17 H new ATOM 0 HG21 VAL A 9 3.990 -11.117 -0.381 1.00 2.47 H new ATOM 0 HG22 VAL A 9 4.194 -9.457 -0.989 1.00 2.47 H new ATOM 0 HG23 VAL A 9 4.058 -9.754 0.761 1.00 2.47 H new ATOM 131 N VAL A 10 0.547 -8.017 2.002 1.00 0.71 N ATOM 132 CA VAL A 10 0.353 -7.477 3.342 1.00 0.76 C ATOM 133 C VAL A 10 0.038 -8.617 4.300 1.00 0.87 C ATOM 134 O VAL A 10 -0.580 -9.606 3.906 1.00 1.43 O ATOM 135 CB VAL A 10 -0.820 -6.477 3.351 1.00 0.93 C ATOM 136 CG1 VAL A 10 -0.912 -5.710 4.680 1.00 1.81 C ATOM 137 CG2 VAL A 10 -0.700 -5.446 2.233 1.00 1.50 C ATOM 0 H VAL A 10 -0.315 -8.380 1.594 1.00 0.71 H new ATOM 0 HA VAL A 10 1.263 -6.964 3.652 1.00 0.76 H new ATOM 0 HB VAL A 10 -1.716 -7.081 3.206 1.00 0.93 H new ATOM 0 HG11 VAL A 10 -1.752 -5.017 4.642 1.00 1.81 H new ATOM 0 HG12 VAL A 10 -1.060 -6.415 5.498 1.00 1.81 H new ATOM 0 HG13 VAL A 10 0.011 -5.153 4.844 1.00 1.81 H new ATOM 0 HG21 VAL A 10 -1.547 -4.762 2.277 1.00 1.50 H new ATOM 0 HG22 VAL A 10 0.227 -4.885 2.354 1.00 1.50 H new ATOM 0 HG23 VAL A 10 -0.693 -5.954 1.269 1.00 1.50 H new ATOM 147 N ARG A 11 0.394 -8.448 5.570 1.00 0.56 N ATOM 148 CA ARG A 11 -0.125 -9.249 6.662 1.00 0.61 C ATOM 149 C ARG A 11 -0.619 -8.308 7.759 1.00 0.54 C ATOM 150 O ARG A 11 -0.082 -7.220 7.947 1.00 0.77 O ATOM 151 CB ARG A 11 0.916 -10.266 7.149 1.00 0.86 C ATOM 152 CG ARG A 11 2.358 -9.768 7.026 1.00 1.42 C ATOM 153 CD ARG A 11 3.361 -10.848 7.438 1.00 1.66 C ATOM 154 NE ARG A 11 3.500 -10.935 8.898 1.00 3.37 N ATOM 155 CZ ARG A 11 4.197 -11.849 9.583 1.00 4.26 C ATOM 156 NH1 ARG A 11 4.694 -12.927 8.965 1.00 4.04 N ATOM 157 NH2 ARG A 11 4.398 -11.657 10.886 1.00 6.02 N ATOM 0 H ARG A 11 1.062 -7.738 5.869 1.00 0.56 H new ATOM 0 HA ARG A 11 -0.971 -9.849 6.327 1.00 0.61 H new ATOM 0 HB2 ARG A 11 0.712 -10.512 8.191 1.00 0.86 H new ATOM 0 HB3 ARG A 11 0.808 -11.187 6.577 1.00 0.86 H new ATOM 0 HG2 ARG A 11 2.552 -9.463 5.998 1.00 1.42 H new ATOM 0 HG3 ARG A 11 2.494 -8.886 7.652 1.00 1.42 H new ATOM 0 HD2 ARG A 11 3.038 -11.812 7.045 1.00 1.66 H new ATOM 0 HD3 ARG A 11 4.332 -10.631 6.993 1.00 1.66 H new ATOM 0 HE ARG A 11 3.015 -10.225 9.446 1.00 3.37 H new ATOM 0 HH11 ARG A 11 4.543 -13.056 7.965 1.00 4.04 H new ATOM 0 HH12 ARG A 11 5.224 -13.619 9.494 1.00 4.04 H new ATOM 0 HH21 ARG A 11 4.023 -10.826 11.343 1.00 6.02 H new ATOM 0 HH22 ARG A 11 4.927 -12.341 11.427 1.00 6.02 H new ATOM 171 N GLY A 12 -1.706 -8.717 8.414 1.00 0.75 N ATOM 172 CA GLY A 12 -2.332 -8.022 9.535 1.00 0.87 C ATOM 173 C GLY A 12 -3.657 -7.363 9.144 1.00 0.99 C ATOM 174 O GLY A 12 -4.281 -6.685 9.959 1.00 1.93 O ATOM 0 H GLY A 12 -2.193 -9.578 8.166 1.00 0.75 H new ATOM 0 HA2 GLY A 12 -2.506 -8.729 10.346 1.00 0.87 H new ATOM 0 HA3 GLY A 12 -1.649 -7.262 9.915 1.00 0.87 H new ATOM 178 N MET A 13 -4.102 -7.546 7.897 1.00 0.70 N ATOM 179 CA MET A 13 -5.374 -7.012 7.444 1.00 0.76 C ATOM 180 C MET A 13 -6.540 -7.700 8.158 1.00 1.08 C ATOM 181 O MET A 13 -6.423 -8.834 8.617 1.00 1.98 O ATOM 182 CB MET A 13 -5.527 -7.225 5.938 1.00 1.35 C ATOM 183 CG MET A 13 -4.469 -6.483 5.116 1.00 0.98 C ATOM 184 SD MET A 13 -4.611 -6.718 3.326 1.00 1.71 S ATOM 185 CE MET A 13 -6.286 -6.107 3.060 1.00 1.26 C ATOM 0 H MET A 13 -3.590 -8.065 7.184 1.00 0.70 H new ATOM 0 HA MET A 13 -5.390 -5.947 7.674 1.00 0.76 H new ATOM 0 HB2 MET A 13 -5.466 -8.291 5.720 1.00 1.35 H new ATOM 0 HB3 MET A 13 -6.518 -6.892 5.629 1.00 1.35 H new ATOM 0 HG2 MET A 13 -4.536 -5.418 5.337 1.00 0.98 H new ATOM 0 HG3 MET A 13 -3.481 -6.813 5.436 1.00 0.98 H new ATOM 0 HE1 MET A 13 -6.486 -6.047 1.990 1.00 1.26 H new ATOM 0 HE2 MET A 13 -7.000 -6.787 3.525 1.00 1.26 H new ATOM 0 HE3 MET A 13 -6.387 -5.117 3.504 1.00 1.26 H new ATOM 195 N THR A 14 -7.689 -7.023 8.185 1.00 0.91 N ATOM 196 CA THR A 14 -8.962 -7.585 8.593 1.00 1.38 C ATOM 197 C THR A 14 -10.080 -6.645 8.132 1.00 1.63 C ATOM 198 O THR A 14 -10.041 -5.439 8.383 1.00 3.32 O ATOM 199 CB THR A 14 -8.997 -7.887 10.102 1.00 1.77 C ATOM 200 OG1 THR A 14 -10.316 -8.230 10.484 1.00 2.64 O ATOM 201 CG2 THR A 14 -8.490 -6.731 10.970 1.00 1.91 C ATOM 0 H THR A 14 -7.753 -6.042 7.915 1.00 0.91 H new ATOM 0 HA THR A 14 -9.113 -8.553 8.115 1.00 1.38 H new ATOM 0 HB THR A 14 -8.316 -8.721 10.271 1.00 1.77 H new ATOM 0 HG1 THR A 14 -10.338 -8.424 11.444 1.00 2.64 H new ATOM 0 HG21 THR A 14 -8.543 -7.015 12.021 1.00 1.91 H new ATOM 0 HG22 THR A 14 -7.457 -6.505 10.707 1.00 1.91 H new ATOM 0 HG23 THR A 14 -9.109 -5.850 10.800 1.00 1.91 H new ATOM 209 N CYS A 15 -11.070 -7.215 7.438 1.00 0.91 N ATOM 210 CA CYS A 15 -12.316 -6.566 7.051 1.00 0.94 C ATOM 211 C CYS A 15 -12.102 -5.371 6.119 1.00 0.85 C ATOM 212 O CYS A 15 -10.983 -4.976 5.792 1.00 1.32 O ATOM 213 CB CYS A 15 -13.140 -6.190 8.298 1.00 1.36 C ATOM 214 SG CYS A 15 -13.522 -7.665 9.273 1.00 2.29 S ATOM 0 H CYS A 15 -11.018 -8.183 7.119 1.00 0.91 H new ATOM 0 HA CYS A 15 -12.890 -7.288 6.470 1.00 0.94 H new ATOM 0 HB2 CYS A 15 -12.584 -5.478 8.908 1.00 1.36 H new ATOM 0 HB3 CYS A 15 -14.064 -5.697 7.996 1.00 1.36 H new ATOM 0 HG CYS A 15 -12.440 -8.095 9.852 1.00 2.29 H new ATOM 220 N ALA A 16 -13.221 -4.784 5.694 1.00 0.76 N ATOM 221 CA ALA A 16 -13.255 -3.576 4.885 1.00 0.68 C ATOM 222 C ALA A 16 -12.505 -2.424 5.565 1.00 0.71 C ATOM 223 O ALA A 16 -11.999 -1.533 4.894 1.00 1.26 O ATOM 224 CB ALA A 16 -14.717 -3.209 4.643 1.00 0.87 C ATOM 0 H ALA A 16 -14.149 -5.148 5.911 1.00 0.76 H new ATOM 0 HA ALA A 16 -12.752 -3.758 3.935 1.00 0.68 H new ATOM 0 HB1 ALA A 16 -14.770 -2.304 4.037 1.00 0.87 H new ATOM 0 HB2 ALA A 16 -15.215 -4.025 4.120 1.00 0.87 H new ATOM 0 HB3 ALA A 16 -15.211 -3.035 5.599 1.00 0.87 H new ATOM 230 N SER A 17 -12.449 -2.447 6.898 1.00 0.48 N ATOM 231 CA SER A 17 -11.813 -1.437 7.730 1.00 0.49 C ATOM 232 C SER A 17 -10.335 -1.207 7.396 1.00 0.55 C ATOM 233 O SER A 17 -9.971 -0.154 6.881 1.00 0.78 O ATOM 234 CB SER A 17 -12.000 -1.839 9.179 1.00 0.64 C ATOM 235 OG SER A 17 -11.507 -3.148 9.420 1.00 0.75 O ATOM 0 H SER A 17 -12.864 -3.202 7.444 1.00 0.48 H new ATOM 0 HA SER A 17 -12.292 -0.478 7.533 1.00 0.49 H new ATOM 0 HB2 SER A 17 -11.483 -1.129 9.825 1.00 0.64 H new ATOM 0 HB3 SER A 17 -13.058 -1.793 9.437 1.00 0.64 H new ATOM 0 HG SER A 17 -11.640 -3.379 10.363 1.00 0.75 H new ATOM 241 N CYS A 18 -9.462 -2.170 7.706 1.00 0.57 N ATOM 242 CA CYS A 18 -8.045 -2.089 7.381 1.00 0.66 C ATOM 243 C CYS A 18 -7.875 -1.709 5.916 1.00 0.70 C ATOM 244 O CYS A 18 -7.050 -0.863 5.583 1.00 0.80 O ATOM 245 CB CYS A 18 -7.365 -3.430 7.661 1.00 0.86 C ATOM 246 SG CYS A 18 -7.222 -3.671 9.448 1.00 1.22 S ATOM 0 H CYS A 18 -9.724 -3.028 8.191 1.00 0.57 H new ATOM 0 HA CYS A 18 -7.578 -1.325 8.003 1.00 0.66 H new ATOM 0 HB2 CYS A 18 -7.942 -4.242 7.219 1.00 0.86 H new ATOM 0 HB3 CYS A 18 -6.378 -3.453 7.200 1.00 0.86 H new ATOM 0 HG CYS A 18 -6.085 -3.195 9.860 1.00 1.22 H new ATOM 252 N VAL A 19 -8.693 -2.314 5.053 1.00 0.70 N ATOM 253 CA VAL A 19 -8.718 -2.017 3.636 1.00 0.79 C ATOM 254 C VAL A 19 -8.858 -0.504 3.375 1.00 0.78 C ATOM 255 O VAL A 19 -7.889 0.141 2.963 1.00 0.88 O ATOM 256 CB VAL A 19 -9.783 -2.903 2.965 1.00 0.78 C ATOM 257 CG1 VAL A 19 -10.224 -2.395 1.593 1.00 0.85 C ATOM 258 CG2 VAL A 19 -9.287 -4.348 2.875 1.00 0.89 C ATOM 0 H VAL A 19 -9.362 -3.032 5.331 1.00 0.70 H new ATOM 0 HA VAL A 19 -7.764 -2.267 3.171 1.00 0.79 H new ATOM 0 HB VAL A 19 -10.669 -2.859 3.599 1.00 0.78 H new ATOM 0 HG11 VAL A 19 -10.975 -3.068 1.180 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -10.648 -1.396 1.694 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -9.364 -2.358 0.925 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -10.049 -4.965 2.399 1.00 0.89 H new ATOM 0 HG22 VAL A 19 -8.371 -4.382 2.285 1.00 0.89 H new ATOM 0 HG23 VAL A 19 -9.087 -4.727 3.877 1.00 0.89 H new ATOM 268 N HIS A 20 -10.034 0.085 3.630 1.00 0.71 N ATOM 269 CA HIS A 20 -10.255 1.484 3.269 1.00 0.77 C ATOM 270 C HIS A 20 -9.376 2.412 4.108 1.00 0.72 C ATOM 271 O HIS A 20 -8.986 3.482 3.642 1.00 0.71 O ATOM 272 CB HIS A 20 -11.740 1.888 3.277 1.00 0.80 C ATOM 273 CG HIS A 20 -12.296 2.339 4.606 1.00 0.75 C ATOM 274 ND1 HIS A 20 -12.939 3.524 4.888 1.00 1.27 N ATOM 275 CD2 HIS A 20 -12.312 1.595 5.745 1.00 0.78 C ATOM 276 CE1 HIS A 20 -13.321 3.474 6.180 1.00 1.07 C ATOM 277 NE2 HIS A 20 -12.957 2.316 6.747 1.00 0.76 N ATOM 0 H HIS A 20 -10.828 -0.376 4.075 1.00 0.71 H new ATOM 0 HA HIS A 20 -9.945 1.598 2.230 1.00 0.77 H new ATOM 0 HB2 HIS A 20 -11.881 2.692 2.555 1.00 0.80 H new ATOM 0 HB3 HIS A 20 -12.329 1.040 2.928 1.00 0.80 H new ATOM 0 HD2 HIS A 20 -11.893 0.606 5.854 1.00 0.78 H new ATOM 0 HE1 HIS A 20 -13.851 4.264 6.691 1.00 1.07 H new ATOM 0 HE2 HIS A 20 -13.118 2.024 7.711 1.00 0.76 H new ATOM 285 N LYS A 21 -9.045 2.003 5.338 1.00 0.73 N ATOM 286 CA LYS A 21 -8.101 2.717 6.179 1.00 0.65 C ATOM 287 C LYS A 21 -6.784 2.890 5.427 1.00 0.58 C ATOM 288 O LYS A 21 -6.329 4.017 5.266 1.00 0.62 O ATOM 289 CB LYS A 21 -7.913 1.980 7.515 1.00 0.69 C ATOM 290 CG LYS A 21 -6.899 2.631 8.468 1.00 0.57 C ATOM 291 CD LYS A 21 -7.317 4.057 8.849 1.00 2.12 C ATOM 292 CE LYS A 21 -6.434 4.594 9.984 1.00 2.52 C ATOM 293 NZ LYS A 21 -6.868 5.930 10.442 1.00 4.12 N ATOM 0 H LYS A 21 -9.430 1.164 5.772 1.00 0.73 H new ATOM 0 HA LYS A 21 -8.488 3.709 6.413 1.00 0.65 H new ATOM 0 HB2 LYS A 21 -8.877 1.918 8.019 1.00 0.69 H new ATOM 0 HB3 LYS A 21 -7.594 0.958 7.309 1.00 0.69 H new ATOM 0 HG2 LYS A 21 -6.805 2.026 9.370 1.00 0.57 H new ATOM 0 HG3 LYS A 21 -5.917 2.653 7.996 1.00 0.57 H new ATOM 0 HD2 LYS A 21 -7.238 4.710 7.980 1.00 2.12 H new ATOM 0 HD3 LYS A 21 -8.362 4.065 9.159 1.00 2.12 H new ATOM 0 HE2 LYS A 21 -6.459 3.898 10.823 1.00 2.52 H new ATOM 0 HE3 LYS A 21 -5.400 4.646 9.644 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 -6.244 6.254 11.209 1.00 4.12 H new ATOM 0 HZ2 LYS A 21 -6.820 6.601 9.649 1.00 4.12 H new ATOM 0 HZ3 LYS A 21 -7.846 5.876 10.791 1.00 4.12 H new ATOM 307 N ILE A 22 -6.171 1.794 4.968 1.00 0.51 N ATOM 308 CA ILE A 22 -4.926 1.865 4.213 1.00 0.47 C ATOM 309 C ILE A 22 -5.125 2.741 2.975 1.00 0.45 C ATOM 310 O ILE A 22 -4.384 3.707 2.791 1.00 0.45 O ATOM 311 CB ILE A 22 -4.404 0.451 3.893 1.00 0.46 C ATOM 312 CG1 ILE A 22 -3.921 -0.192 5.204 1.00 0.61 C ATOM 313 CG2 ILE A 22 -3.234 0.458 2.896 1.00 0.47 C ATOM 314 CD1 ILE A 22 -3.399 -1.607 4.973 1.00 0.84 C ATOM 0 H ILE A 22 -6.522 0.847 5.109 1.00 0.51 H new ATOM 0 HA ILE A 22 -4.149 2.339 4.814 1.00 0.47 H new ATOM 0 HB ILE A 22 -5.221 -0.108 3.437 1.00 0.46 H new ATOM 0 HG12 ILE A 22 -3.133 0.421 5.642 1.00 0.61 H new ATOM 0 HG13 ILE A 22 -4.741 -0.218 5.922 1.00 0.61 H new ATOM 0 HG21 ILE A 22 -2.909 -0.566 2.709 1.00 0.47 H new ATOM 0 HG22 ILE A 22 -3.557 0.913 1.959 1.00 0.47 H new ATOM 0 HG23 ILE A 22 -2.406 1.032 3.311 1.00 0.47 H new ATOM 0 HD11 ILE A 22 -3.066 -2.031 5.920 1.00 0.84 H new ATOM 0 HD12 ILE A 22 -4.195 -2.225 4.558 1.00 0.84 H new ATOM 0 HD13 ILE A 22 -2.562 -1.577 4.275 1.00 0.84 H new ATOM 326 N GLU A 23 -6.126 2.433 2.146 1.00 0.50 N ATOM 327 CA GLU A 23 -6.366 3.170 0.908 1.00 0.53 C ATOM 328 C GLU A 23 -6.408 4.678 1.167 1.00 0.48 C ATOM 329 O GLU A 23 -5.638 5.444 0.579 1.00 0.56 O ATOM 330 CB GLU A 23 -7.643 2.648 0.237 1.00 0.70 C ATOM 331 CG GLU A 23 -7.427 1.201 -0.231 1.00 1.12 C ATOM 332 CD GLU A 23 -8.696 0.466 -0.639 1.00 1.86 C ATOM 333 OE1 GLU A 23 -9.793 0.996 -0.362 1.00 2.37 O ATOM 334 OE2 GLU A 23 -8.528 -0.637 -1.207 1.00 3.11 O ATOM 0 H GLU A 23 -6.785 1.673 2.314 1.00 0.50 H new ATOM 0 HA GLU A 23 -5.538 3.003 0.219 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -8.478 2.693 0.937 1.00 0.70 H new ATOM 0 HB3 GLU A 23 -7.904 3.280 -0.612 1.00 0.70 H new ATOM 0 HG2 GLU A 23 -6.739 1.206 -1.077 1.00 1.12 H new ATOM 0 HG3 GLU A 23 -6.943 0.643 0.570 1.00 1.12 H new ATOM 341 N SER A 24 -7.274 5.091 2.092 1.00 0.50 N ATOM 342 CA SER A 24 -7.383 6.464 2.550 1.00 0.60 C ATOM 343 C SER A 24 -6.014 6.988 2.996 1.00 0.66 C ATOM 344 O SER A 24 -5.549 8.015 2.497 1.00 0.96 O ATOM 345 CB SER A 24 -8.423 6.529 3.680 1.00 0.72 C ATOM 346 OG SER A 24 -8.594 7.852 4.156 1.00 1.17 O ATOM 0 H SER A 24 -7.932 4.461 2.551 1.00 0.50 H new ATOM 0 HA SER A 24 -7.717 7.107 1.736 1.00 0.60 H new ATOM 0 HB2 SER A 24 -9.377 6.145 3.319 1.00 0.72 H new ATOM 0 HB3 SER A 24 -8.110 5.884 4.501 1.00 0.72 H new ATOM 0 HG SER A 24 -9.263 7.858 4.872 1.00 1.17 H new ATOM 352 N SER A 25 -5.386 6.292 3.949 1.00 0.46 N ATOM 353 CA SER A 25 -4.139 6.690 4.579 1.00 0.44 C ATOM 354 C SER A 25 -3.109 7.039 3.515 1.00 0.46 C ATOM 355 O SER A 25 -2.578 8.146 3.519 1.00 0.63 O ATOM 356 CB SER A 25 -3.634 5.561 5.493 1.00 0.51 C ATOM 357 OG SER A 25 -4.331 5.565 6.728 1.00 1.92 O ATOM 0 H SER A 25 -5.749 5.410 4.309 1.00 0.46 H new ATOM 0 HA SER A 25 -4.306 7.576 5.192 1.00 0.44 H new ATOM 0 HB2 SER A 25 -3.767 4.599 4.998 1.00 0.51 H new ATOM 0 HB3 SER A 25 -2.566 5.682 5.672 1.00 0.51 H new ATOM 0 HG SER A 25 -5.167 5.062 6.634 1.00 1.92 H new ATOM 363 N LEU A 26 -2.828 6.106 2.607 1.00 0.40 N ATOM 364 CA LEU A 26 -1.790 6.331 1.621 1.00 0.46 C ATOM 365 C LEU A 26 -2.210 7.371 0.593 1.00 0.52 C ATOM 366 O LEU A 26 -1.428 8.265 0.283 1.00 0.54 O ATOM 367 CB LEU A 26 -1.331 5.036 0.967 1.00 0.52 C ATOM 368 CG LEU A 26 -0.483 4.140 1.877 1.00 0.68 C ATOM 369 CD1 LEU A 26 0.750 4.827 2.470 1.00 2.61 C ATOM 370 CD2 LEU A 26 -1.264 3.453 2.992 1.00 1.88 C ATOM 0 H LEU A 26 -3.299 5.204 2.539 1.00 0.40 H new ATOM 0 HA LEU A 26 -0.928 6.734 2.152 1.00 0.46 H new ATOM 0 HB2 LEU A 26 -2.207 4.477 0.639 1.00 0.52 H new ATOM 0 HB3 LEU A 26 -0.755 5.277 0.074 1.00 0.52 H new ATOM 0 HG LEU A 26 -0.140 3.371 1.184 1.00 0.68 H new ATOM 0 HD11 LEU A 26 1.292 4.122 3.100 1.00 2.61 H new ATOM 0 HD12 LEU A 26 1.400 5.167 1.664 1.00 2.61 H new ATOM 0 HD13 LEU A 26 0.437 5.682 3.069 1.00 2.61 H new ATOM 0 HD21 LEU A 26 -0.587 2.840 3.586 1.00 1.88 H new ATOM 0 HD22 LEU A 26 -1.726 4.206 3.630 1.00 1.88 H new ATOM 0 HD23 LEU A 26 -2.039 2.821 2.558 1.00 1.88 H new ATOM 382 N THR A 27 -3.429 7.297 0.056 1.00 0.60 N ATOM 383 CA THR A 27 -3.846 8.265 -0.954 1.00 0.75 C ATOM 384 C THR A 27 -3.618 9.708 -0.464 1.00 0.88 C ATOM 385 O THR A 27 -3.192 10.566 -1.238 1.00 1.65 O ATOM 386 CB THR A 27 -5.293 7.986 -1.373 1.00 0.77 C ATOM 387 OG1 THR A 27 -5.393 6.661 -1.854 1.00 1.65 O ATOM 388 CG2 THR A 27 -5.761 8.922 -2.490 1.00 1.46 C ATOM 0 H THR A 27 -4.128 6.595 0.297 1.00 0.60 H new ATOM 0 HA THR A 27 -3.228 8.155 -1.845 1.00 0.75 H new ATOM 0 HB THR A 27 -5.919 8.145 -0.495 1.00 0.77 H new ATOM 0 HG1 THR A 27 -5.538 6.050 -1.102 1.00 1.65 H new ATOM 0 HG21 THR A 27 -6.792 8.687 -2.754 1.00 1.46 H new ATOM 0 HG22 THR A 27 -5.701 9.955 -2.148 1.00 1.46 H new ATOM 0 HG23 THR A 27 -5.124 8.792 -3.365 1.00 1.46 H new ATOM 396 N LYS A 28 -3.822 9.966 0.836 1.00 0.68 N ATOM 397 CA LYS A 28 -3.568 11.277 1.429 1.00 0.68 C ATOM 398 C LYS A 28 -2.150 11.818 1.175 1.00 0.59 C ATOM 399 O LYS A 28 -1.982 13.037 1.189 1.00 0.73 O ATOM 400 CB LYS A 28 -3.868 11.264 2.934 1.00 0.81 C ATOM 401 CG LYS A 28 -5.335 10.924 3.250 1.00 2.09 C ATOM 402 CD LYS A 28 -6.120 12.115 3.814 1.00 3.13 C ATOM 403 CE LYS A 28 -5.698 12.435 5.258 1.00 3.43 C ATOM 404 NZ LYS A 28 -6.468 13.562 5.825 1.00 4.57 N ATOM 0 H LYS A 28 -4.166 9.272 1.499 1.00 0.68 H new ATOM 0 HA LYS A 28 -4.250 11.961 0.923 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -3.219 10.537 3.422 1.00 0.81 H new ATOM 0 HB3 LYS A 28 -3.628 12.240 3.356 1.00 0.81 H new ATOM 0 HG2 LYS A 28 -5.824 10.571 2.342 1.00 2.09 H new ATOM 0 HG3 LYS A 28 -5.365 10.104 3.967 1.00 2.09 H new ATOM 0 HD2 LYS A 28 -5.958 12.990 3.184 1.00 3.13 H new ATOM 0 HD3 LYS A 28 -7.187 11.895 3.786 1.00 3.13 H new ATOM 0 HE2 LYS A 28 -5.838 11.551 5.880 1.00 3.43 H new ATOM 0 HE3 LYS A 28 -4.635 12.675 5.280 1.00 3.43 H new ATOM 0 HZ1 LYS A 28 -6.151 13.744 6.799 1.00 4.57 H new ATOM 0 HZ2 LYS A 28 -6.315 14.413 5.247 1.00 4.57 H new ATOM 0 HZ3 LYS A 28 -7.480 13.324 5.829 1.00 4.57 H new ATOM 418 N HIS A 29 -1.133 10.970 0.952 1.00 0.50 N ATOM 419 CA HIS A 29 0.217 11.458 0.657 1.00 0.59 C ATOM 420 C HIS A 29 0.243 12.251 -0.658 1.00 0.79 C ATOM 421 O HIS A 29 1.105 13.106 -0.838 1.00 2.23 O ATOM 422 CB HIS A 29 1.234 10.308 0.565 1.00 0.62 C ATOM 423 CG HIS A 29 1.536 9.560 1.844 1.00 0.57 C ATOM 424 ND1 HIS A 29 2.769 9.104 2.268 1.00 1.07 N ATOM 425 CD2 HIS A 29 0.607 8.916 2.609 1.00 1.02 C ATOM 426 CE1 HIS A 29 2.563 8.208 3.244 1.00 0.90 C ATOM 427 NE2 HIS A 29 1.256 8.059 3.493 1.00 0.86 N ATOM 0 H HIS A 29 -1.221 9.954 0.971 1.00 0.50 H new ATOM 0 HA HIS A 29 0.498 12.111 1.484 1.00 0.59 H new ATOM 0 HB2 HIS A 29 0.870 9.590 -0.170 1.00 0.62 H new ATOM 0 HB3 HIS A 29 2.170 10.712 0.179 1.00 0.62 H new ATOM 0 HD1 HIS A 29 3.675 9.397 1.903 1.00 1.07 H new ATOM 0 HD2 HIS A 29 -0.462 9.050 2.539 1.00 1.02 H new ATOM 0 HE1 HIS A 29 3.348 7.676 3.761 1.00 0.90 H new ATOM 435 N ARG A 30 -0.647 11.925 -1.605 1.00 1.27 N ATOM 436 CA ARG A 30 -0.742 12.490 -2.953 1.00 1.22 C ATOM 437 C ARG A 30 0.392 12.031 -3.877 1.00 1.10 C ATOM 438 O ARG A 30 0.354 12.327 -5.068 1.00 1.54 O ATOM 439 CB ARG A 30 -0.807 14.026 -2.946 1.00 1.37 C ATOM 440 CG ARG A 30 -1.806 14.604 -1.937 1.00 2.33 C ATOM 441 CD ARG A 30 -1.817 16.131 -2.050 1.00 2.56 C ATOM 442 NE ARG A 30 -2.610 16.734 -0.969 1.00 3.99 N ATOM 443 CZ ARG A 30 -2.729 18.054 -0.757 1.00 4.68 C ATOM 444 NH1 ARG A 30 -2.130 18.915 -1.588 1.00 4.25 N ATOM 445 NH2 ARG A 30 -3.441 18.506 0.281 1.00 6.25 N ATOM 0 H ARG A 30 -1.362 11.217 -1.438 1.00 1.27 H new ATOM 0 HA ARG A 30 -1.681 12.103 -3.350 1.00 1.22 H new ATOM 0 HB2 ARG A 30 0.185 14.420 -2.726 1.00 1.37 H new ATOM 0 HB3 ARG A 30 -1.073 14.373 -3.945 1.00 1.37 H new ATOM 0 HG2 ARG A 30 -2.803 14.207 -2.128 1.00 2.33 H new ATOM 0 HG3 ARG A 30 -1.532 14.305 -0.925 1.00 2.33 H new ATOM 0 HD2 ARG A 30 -0.796 16.509 -2.011 1.00 2.56 H new ATOM 0 HD3 ARG A 30 -2.229 16.425 -3.015 1.00 2.56 H new ATOM 0 HE ARG A 30 -3.104 16.105 -0.336 1.00 3.99 H new ATOM 0 HH11 ARG A 30 -1.586 18.567 -2.378 1.00 4.25 H new ATOM 0 HH12 ARG A 30 -2.217 19.919 -1.432 1.00 4.25 H new ATOM 0 HH21 ARG A 30 -3.895 17.847 0.914 1.00 6.25 H new ATOM 0 HH22 ARG A 30 -3.530 19.510 0.440 1.00 6.25 H new ATOM 459 N GLY A 31 1.356 11.257 -3.369 1.00 0.75 N ATOM 460 CA GLY A 31 2.351 10.595 -4.198 1.00 0.78 C ATOM 461 C GLY A 31 1.772 9.321 -4.805 1.00 0.67 C ATOM 462 O GLY A 31 2.145 8.898 -5.895 1.00 0.88 O ATOM 0 H GLY A 31 1.463 11.076 -2.371 1.00 0.75 H new ATOM 0 HA2 GLY A 31 2.679 11.267 -4.991 1.00 0.78 H new ATOM 0 HA3 GLY A 31 3.230 10.354 -3.600 1.00 0.78 H new ATOM 466 N ILE A 32 0.849 8.704 -4.069 1.00 0.76 N ATOM 467 CA ILE A 32 0.125 7.524 -4.478 1.00 0.69 C ATOM 468 C ILE A 32 -0.990 7.980 -5.414 1.00 0.67 C ATOM 469 O ILE A 32 -1.887 8.710 -4.998 1.00 0.96 O ATOM 470 CB ILE A 32 -0.378 6.789 -3.223 1.00 0.73 C ATOM 471 CG1 ILE A 32 0.777 6.190 -2.411 1.00 1.72 C ATOM 472 CG2 ILE A 32 -1.295 5.625 -3.596 1.00 2.04 C ATOM 473 CD1 ILE A 32 1.245 7.147 -1.323 1.00 2.83 C ATOM 0 H ILE A 32 0.583 9.032 -3.140 1.00 0.76 H new ATOM 0 HA ILE A 32 0.746 6.811 -5.020 1.00 0.69 H new ATOM 0 HB ILE A 32 -0.910 7.537 -2.635 1.00 0.73 H new ATOM 0 HG12 ILE A 32 0.458 5.251 -1.959 1.00 1.72 H new ATOM 0 HG13 ILE A 32 1.609 5.957 -3.076 1.00 1.72 H new ATOM 0 HG21 ILE A 32 -1.635 5.125 -2.689 1.00 2.04 H new ATOM 0 HG22 ILE A 32 -2.157 6.003 -4.147 1.00 2.04 H new ATOM 0 HG23 ILE A 32 -0.749 4.916 -4.218 1.00 2.04 H new ATOM 0 HD11 ILE A 32 2.064 6.692 -0.766 1.00 2.83 H new ATOM 0 HD12 ILE A 32 1.588 8.076 -1.778 1.00 2.83 H new ATOM 0 HD13 ILE A 32 0.419 7.359 -0.645 1.00 2.83 H new ATOM 485 N LEU A 33 -0.926 7.549 -6.675 1.00 0.50 N ATOM 486 CA LEU A 33 -1.940 7.852 -7.671 1.00 0.61 C ATOM 487 C LEU A 33 -3.135 6.938 -7.470 1.00 0.58 C ATOM 488 O LEU A 33 -4.264 7.349 -7.728 1.00 0.65 O ATOM 489 CB LEU A 33 -1.388 7.661 -9.090 1.00 0.74 C ATOM 490 CG LEU A 33 -0.168 8.528 -9.440 1.00 0.82 C ATOM 491 CD1 LEU A 33 0.151 8.313 -10.924 1.00 1.37 C ATOM 492 CD2 LEU A 33 -0.417 10.018 -9.180 1.00 1.31 C ATOM 0 H LEU A 33 -0.161 6.976 -7.031 1.00 0.50 H new ATOM 0 HA LEU A 33 -2.241 8.893 -7.552 1.00 0.61 H new ATOM 0 HB2 LEU A 33 -1.118 6.613 -9.220 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -2.183 7.876 -9.804 1.00 0.74 H new ATOM 0 HG LEU A 33 0.666 8.230 -8.804 1.00 0.82 H new ATOM 0 HD11 LEU A 33 1.015 8.917 -11.202 1.00 1.37 H new ATOM 0 HD12 LEU A 33 0.373 7.260 -11.100 1.00 1.37 H new ATOM 0 HD13 LEU A 33 -0.708 8.608 -11.527 1.00 1.37 H new ATOM 0 HD21 LEU A 33 0.475 10.587 -9.443 1.00 1.31 H new ATOM 0 HD22 LEU A 33 -1.257 10.358 -9.786 1.00 1.31 H new ATOM 0 HD23 LEU A 33 -0.646 10.170 -8.125 1.00 1.31 H new ATOM 504 N TYR A 34 -2.905 5.695 -7.037 1.00 0.52 N ATOM 505 CA TYR A 34 -3.992 4.761 -6.870 1.00 0.54 C ATOM 506 C TYR A 34 -3.609 3.730 -5.823 1.00 0.49 C ATOM 507 O TYR A 34 -2.436 3.382 -5.709 1.00 0.50 O ATOM 508 CB TYR A 34 -4.311 4.118 -8.224 1.00 0.67 C ATOM 509 CG TYR A 34 -5.643 3.424 -8.241 1.00 0.72 C ATOM 510 CD1 TYR A 34 -6.811 4.185 -8.074 1.00 1.84 C ATOM 511 CD2 TYR A 34 -5.707 2.022 -8.255 1.00 1.77 C ATOM 512 CE1 TYR A 34 -8.028 3.545 -7.812 1.00 1.87 C ATOM 513 CE2 TYR A 34 -6.939 1.384 -8.062 1.00 1.90 C ATOM 514 CZ TYR A 34 -8.090 2.142 -7.779 1.00 1.07 C ATOM 515 OH TYR A 34 -9.233 1.517 -7.384 1.00 1.35 O ATOM 0 H TYR A 34 -1.983 5.327 -6.802 1.00 0.52 H new ATOM 0 HA TYR A 34 -4.891 5.269 -6.521 1.00 0.54 H new ATOM 0 HB2 TYR A 34 -4.297 4.886 -8.998 1.00 0.67 H new ATOM 0 HB3 TYR A 34 -3.530 3.400 -8.473 1.00 0.67 H new ATOM 0 HD1 TYR A 34 -6.771 5.262 -8.148 1.00 1.84 H new ATOM 0 HD2 TYR A 34 -4.812 1.439 -8.414 1.00 1.77 H new ATOM 0 HE1 TYR A 34 -8.919 4.130 -7.635 1.00 1.87 H new ATOM 0 HE2 TYR A 34 -7.005 0.308 -8.131 1.00 1.90 H new ATOM 0 HH TYR A 34 -9.026 0.875 -6.673 1.00 1.35 H new ATOM 525 N CYS A 35 -4.595 3.261 -5.060 1.00 0.55 N ATOM 526 CA CYS A 35 -4.443 2.268 -4.015 1.00 0.56 C ATOM 527 C CYS A 35 -5.652 1.349 -4.120 1.00 0.70 C ATOM 528 O CYS A 35 -6.773 1.839 -4.256 1.00 1.34 O ATOM 529 CB CYS A 35 -4.398 2.953 -2.649 1.00 0.63 C ATOM 530 SG CYS A 35 -3.826 1.725 -1.457 1.00 1.86 S ATOM 0 H CYS A 35 -5.558 3.580 -5.163 1.00 0.55 H new ATOM 0 HA CYS A 35 -3.517 1.704 -4.125 1.00 0.56 H new ATOM 0 HB2 CYS A 35 -3.726 3.811 -2.670 1.00 0.63 H new ATOM 0 HB3 CYS A 35 -5.384 3.327 -2.373 1.00 0.63 H new ATOM 0 HG CYS A 35 -3.586 2.304 -0.318 1.00 1.86 H new ATOM 536 N SER A 36 -5.452 0.033 -4.133 1.00 0.60 N ATOM 537 CA SER A 36 -6.537 -0.921 -3.968 1.00 0.72 C ATOM 538 C SER A 36 -6.012 -2.124 -3.201 1.00 0.55 C ATOM 539 O SER A 36 -5.086 -2.795 -3.658 1.00 0.51 O ATOM 540 CB SER A 36 -7.155 -1.302 -5.313 1.00 1.03 C ATOM 541 OG SER A 36 -7.934 -0.217 -5.774 1.00 1.86 O ATOM 0 H SER A 36 -4.536 -0.397 -4.258 1.00 0.60 H new ATOM 0 HA SER A 36 -7.345 -0.469 -3.393 1.00 0.72 H new ATOM 0 HB2 SER A 36 -6.374 -1.540 -6.035 1.00 1.03 H new ATOM 0 HB3 SER A 36 -7.773 -2.193 -5.206 1.00 1.03 H new ATOM 0 HG SER A 36 -7.357 0.428 -6.233 1.00 1.86 H new ATOM 547 N VAL A 37 -6.571 -2.346 -2.013 1.00 0.59 N ATOM 548 CA VAL A 37 -6.037 -3.249 -1.016 1.00 0.48 C ATOM 549 C VAL A 37 -6.978 -4.446 -0.914 1.00 0.58 C ATOM 550 O VAL A 37 -7.903 -4.480 -0.105 1.00 0.79 O ATOM 551 CB VAL A 37 -5.788 -2.463 0.286 1.00 0.51 C ATOM 552 CG1 VAL A 37 -4.966 -3.281 1.277 1.00 1.59 C ATOM 553 CG2 VAL A 37 -4.964 -1.198 0.015 1.00 1.97 C ATOM 0 H VAL A 37 -7.432 -1.886 -1.717 1.00 0.59 H new ATOM 0 HA VAL A 37 -5.063 -3.662 -1.279 1.00 0.48 H new ATOM 0 HB VAL A 37 -6.773 -2.224 0.687 1.00 0.51 H new ATOM 0 HG11 VAL A 37 -4.807 -2.700 2.185 1.00 1.59 H new ATOM 0 HG12 VAL A 37 -5.500 -4.199 1.523 1.00 1.59 H new ATOM 0 HG13 VAL A 37 -4.002 -3.530 0.832 1.00 1.59 H new ATOM 0 HG21 VAL A 37 -4.802 -0.662 0.950 1.00 1.97 H new ATOM 0 HG22 VAL A 37 -4.002 -1.476 -0.415 1.00 1.97 H new ATOM 0 HG23 VAL A 37 -5.502 -0.556 -0.683 1.00 1.97 H new ATOM 563 N ALA A 38 -6.773 -5.434 -1.787 1.00 0.62 N ATOM 564 CA ALA A 38 -7.710 -6.517 -1.968 1.00 0.75 C ATOM 565 C ALA A 38 -7.427 -7.587 -0.920 1.00 0.72 C ATOM 566 O ALA A 38 -6.604 -8.475 -1.137 1.00 0.74 O ATOM 567 CB ALA A 38 -7.600 -7.042 -3.400 1.00 0.92 C ATOM 0 H ALA A 38 -5.948 -5.495 -2.384 1.00 0.62 H new ATOM 0 HA ALA A 38 -8.738 -6.183 -1.828 1.00 0.75 H new ATOM 0 HB1 ALA A 38 -8.306 -7.860 -3.543 1.00 0.92 H new ATOM 0 HB2 ALA A 38 -7.829 -6.239 -4.101 1.00 0.92 H new ATOM 0 HB3 ALA A 38 -6.587 -7.401 -3.579 1.00 0.92 H new ATOM 573 N LEU A 39 -8.136 -7.503 0.208 1.00 0.71 N ATOM 574 CA LEU A 39 -8.099 -8.485 1.289 1.00 0.70 C ATOM 575 C LEU A 39 -8.161 -9.915 0.759 1.00 0.75 C ATOM 576 O LEU A 39 -7.428 -10.776 1.235 1.00 0.71 O ATOM 577 CB LEU A 39 -9.234 -8.193 2.282 1.00 0.85 C ATOM 578 CG LEU A 39 -9.167 -9.057 3.555 1.00 1.08 C ATOM 579 CD1 LEU A 39 -9.670 -8.251 4.756 1.00 1.81 C ATOM 580 CD2 LEU A 39 -10.022 -10.327 3.439 1.00 1.67 C ATOM 0 H LEU A 39 -8.769 -6.726 0.398 1.00 0.71 H new ATOM 0 HA LEU A 39 -7.146 -8.397 1.811 1.00 0.70 H new ATOM 0 HB2 LEU A 39 -9.199 -7.141 2.563 1.00 0.85 H new ATOM 0 HB3 LEU A 39 -10.191 -8.360 1.788 1.00 0.85 H new ATOM 0 HG LEU A 39 -8.125 -9.349 3.687 1.00 1.08 H new ATOM 0 HD11 LEU A 39 -9.621 -8.867 5.654 1.00 1.81 H new ATOM 0 HD12 LEU A 39 -9.046 -7.367 4.888 1.00 1.81 H new ATOM 0 HD13 LEU A 39 -10.702 -7.945 4.582 1.00 1.81 H new ATOM 0 HD21 LEU A 39 -9.943 -10.904 4.360 1.00 1.67 H new ATOM 0 HD22 LEU A 39 -11.063 -10.051 3.272 1.00 1.67 H new ATOM 0 HD23 LEU A 39 -9.668 -10.929 2.602 1.00 1.67 H new ATOM 592 N ALA A 40 -8.985 -10.154 -0.266 1.00 0.87 N ATOM 593 CA ALA A 40 -9.156 -11.467 -0.884 1.00 0.97 C ATOM 594 C ALA A 40 -7.822 -12.101 -1.288 1.00 0.94 C ATOM 595 O ALA A 40 -7.700 -13.321 -1.324 1.00 1.01 O ATOM 596 CB ALA A 40 -10.053 -11.332 -2.114 1.00 1.12 C ATOM 0 H ALA A 40 -9.559 -9.428 -0.694 1.00 0.87 H new ATOM 0 HA ALA A 40 -9.615 -12.123 -0.145 1.00 0.97 H new ATOM 0 HB1 ALA A 40 -10.183 -12.309 -2.578 1.00 1.12 H new ATOM 0 HB2 ALA A 40 -11.025 -10.940 -1.814 1.00 1.12 H new ATOM 0 HB3 ALA A 40 -9.591 -10.650 -2.828 1.00 1.12 H new ATOM 602 N THR A 41 -6.838 -11.263 -1.624 1.00 0.88 N ATOM 603 CA THR A 41 -5.506 -11.660 -2.050 1.00 0.87 C ATOM 604 C THR A 41 -4.445 -11.020 -1.139 1.00 0.73 C ATOM 605 O THR A 41 -3.272 -11.003 -1.506 1.00 0.80 O ATOM 606 CB THR A 41 -5.361 -11.289 -3.540 1.00 1.03 C ATOM 607 OG1 THR A 41 -4.053 -11.487 -4.039 1.00 1.32 O ATOM 608 CG2 THR A 41 -5.817 -9.868 -3.864 1.00 1.53 C ATOM 0 H THR A 41 -6.959 -10.250 -1.604 1.00 0.88 H new ATOM 0 HA THR A 41 -5.353 -12.735 -1.957 1.00 0.87 H new ATOM 0 HB THR A 41 -6.033 -11.983 -4.046 1.00 1.03 H new ATOM 0 HG1 THR A 41 -3.405 -11.377 -3.312 1.00 1.32 H new ATOM 0 HG21 THR A 41 -5.686 -9.678 -4.929 1.00 1.53 H new ATOM 0 HG22 THR A 41 -6.869 -9.755 -3.602 1.00 1.53 H new ATOM 0 HG23 THR A 41 -5.222 -9.156 -3.292 1.00 1.53 H new ATOM 616 N ASN A 42 -4.857 -10.491 0.024 1.00 0.62 N ATOM 617 CA ASN A 42 -4.061 -9.723 0.982 1.00 0.54 C ATOM 618 C ASN A 42 -2.943 -8.921 0.316 1.00 0.51 C ATOM 619 O ASN A 42 -1.778 -9.021 0.700 1.00 0.57 O ATOM 620 CB ASN A 42 -3.534 -10.628 2.106 1.00 0.64 C ATOM 621 CG ASN A 42 -4.652 -11.160 2.995 1.00 1.14 C ATOM 622 OD1 ASN A 42 -4.908 -12.358 3.037 1.00 2.31 O ATOM 623 ND2 ASN A 42 -5.321 -10.276 3.733 1.00 1.36 N ATOM 0 H ASN A 42 -5.822 -10.599 0.337 1.00 0.62 H new ATOM 0 HA ASN A 42 -4.725 -8.985 1.431 1.00 0.54 H new ATOM 0 HB2 ASN A 42 -2.990 -11.466 1.670 1.00 0.64 H new ATOM 0 HB3 ASN A 42 -2.823 -10.070 2.715 1.00 0.64 H new ATOM 0 HD21 ASN A 42 -6.068 -10.590 4.353 1.00 1.36 H new ATOM 0 HD22 ASN A 42 -5.087 -9.285 3.678 1.00 1.36 H new ATOM 630 N LYS A 43 -3.309 -8.114 -0.684 1.00 0.52 N ATOM 631 CA LYS A 43 -2.358 -7.383 -1.507 1.00 0.56 C ATOM 632 C LYS A 43 -2.822 -5.936 -1.656 1.00 0.47 C ATOM 633 O LYS A 43 -4.016 -5.695 -1.823 1.00 0.50 O ATOM 634 CB LYS A 43 -2.147 -8.141 -2.833 1.00 0.75 C ATOM 635 CG LYS A 43 -1.828 -7.282 -4.066 1.00 0.86 C ATOM 636 CD LYS A 43 -3.103 -6.845 -4.811 1.00 1.00 C ATOM 637 CE LYS A 43 -3.648 -7.931 -5.748 1.00 1.08 C ATOM 638 NZ LYS A 43 -2.849 -8.100 -6.978 1.00 1.38 N ATOM 0 H LYS A 43 -4.282 -7.953 -0.942 1.00 0.52 H new ATOM 0 HA LYS A 43 -1.376 -7.327 -1.038 1.00 0.56 H new ATOM 0 HB2 LYS A 43 -1.334 -8.854 -2.694 1.00 0.75 H new ATOM 0 HB3 LYS A 43 -3.047 -8.720 -3.043 1.00 0.75 H new ATOM 0 HG2 LYS A 43 -1.268 -6.399 -3.758 1.00 0.86 H new ATOM 0 HG3 LYS A 43 -1.187 -7.845 -4.744 1.00 0.86 H new ATOM 0 HD2 LYS A 43 -3.871 -6.581 -4.083 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -2.890 -5.946 -5.390 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -3.681 -8.880 -5.212 1.00 1.08 H new ATOM 0 HE3 LYS A 43 -4.674 -7.683 -6.021 1.00 1.08 H new ATOM 0 HZ1 LYS A 43 -3.270 -8.847 -7.566 1.00 1.38 H new ATOM 0 HZ2 LYS A 43 -2.837 -7.206 -7.510 1.00 1.38 H new ATOM 0 HZ3 LYS A 43 -1.876 -8.366 -6.726 1.00 1.38 H new ATOM 652 N ALA A 44 -1.871 -4.995 -1.608 1.00 0.44 N ATOM 653 CA ALA A 44 -2.066 -3.568 -1.801 1.00 0.42 C ATOM 654 C ALA A 44 -1.464 -3.217 -3.137 1.00 0.45 C ATOM 655 O ALA A 44 -0.250 -3.081 -3.229 1.00 0.55 O ATOM 656 CB ALA A 44 -1.383 -2.753 -0.697 1.00 0.51 C ATOM 0 H ALA A 44 -0.896 -5.230 -1.423 1.00 0.44 H new ATOM 0 HA ALA A 44 -3.130 -3.332 -1.765 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -1.550 -1.690 -0.873 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -1.801 -3.030 0.271 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -0.313 -2.958 -0.703 1.00 0.51 H new ATOM 662 N HIS A 45 -2.308 -3.061 -4.152 1.00 0.48 N ATOM 663 CA HIS A 45 -1.913 -2.536 -5.439 1.00 0.51 C ATOM 664 C HIS A 45 -1.803 -1.037 -5.270 1.00 0.47 C ATOM 665 O HIS A 45 -2.823 -0.361 -5.142 1.00 0.63 O ATOM 666 CB HIS A 45 -2.979 -2.919 -6.460 1.00 0.66 C ATOM 667 CG HIS A 45 -2.569 -2.638 -7.868 1.00 0.71 C ATOM 668 ND1 HIS A 45 -2.321 -3.574 -8.840 1.00 0.86 N ATOM 669 CD2 HIS A 45 -2.379 -1.399 -8.404 1.00 0.79 C ATOM 670 CE1 HIS A 45 -2.042 -2.904 -9.967 1.00 0.98 C ATOM 671 NE2 HIS A 45 -2.076 -1.571 -9.760 1.00 0.96 N ATOM 0 H HIS A 45 -3.298 -3.301 -4.095 1.00 0.48 H new ATOM 0 HA HIS A 45 -0.961 -2.934 -5.791 1.00 0.51 H new ATOM 0 HB2 HIS A 45 -3.206 -3.980 -6.359 1.00 0.66 H new ATOM 0 HB3 HIS A 45 -3.897 -2.374 -6.240 1.00 0.66 H new ATOM 0 HD1 HIS A 45 -2.344 -4.587 -8.727 1.00 0.86 H new ATOM 0 HD2 HIS A 45 -2.449 -0.458 -7.879 1.00 0.79 H new ATOM 0 HE1 HIS A 45 -1.819 -3.370 -10.916 1.00 0.98 H new ATOM 679 N ILE A 46 -0.568 -0.541 -5.251 1.00 0.42 N ATOM 680 CA ILE A 46 -0.281 0.870 -5.154 1.00 0.39 C ATOM 681 C ILE A 46 0.338 1.289 -6.474 1.00 0.43 C ATOM 682 O ILE A 46 1.391 0.784 -6.858 1.00 0.70 O ATOM 683 CB ILE A 46 0.650 1.147 -3.972 1.00 0.42 C ATOM 684 CG1 ILE A 46 0.067 0.469 -2.730 1.00 0.76 C ATOM 685 CG2 ILE A 46 0.748 2.660 -3.746 1.00 0.75 C ATOM 686 CD1 ILE A 46 0.855 0.834 -1.488 1.00 0.96 C ATOM 0 H ILE A 46 0.267 -1.125 -5.304 1.00 0.42 H new ATOM 0 HA ILE A 46 -1.188 1.447 -4.971 1.00 0.39 H new ATOM 0 HB ILE A 46 1.647 0.756 -4.173 1.00 0.42 H new ATOM 0 HG12 ILE A 46 -0.974 0.767 -2.604 1.00 0.76 H new ATOM 0 HG13 ILE A 46 0.075 -0.613 -2.865 1.00 0.76 H new ATOM 0 HG21 ILE A 46 1.411 2.860 -2.904 1.00 0.75 H new ATOM 0 HG22 ILE A 46 1.145 3.137 -4.642 1.00 0.75 H new ATOM 0 HG23 ILE A 46 -0.243 3.061 -3.531 1.00 0.75 H new ATOM 0 HD11 ILE A 46 0.418 0.338 -0.621 1.00 0.96 H new ATOM 0 HD12 ILE A 46 1.890 0.513 -1.606 1.00 0.96 H new ATOM 0 HD13 ILE A 46 0.824 1.914 -1.342 1.00 0.96 H new ATOM 698 N LYS A 47 -0.321 2.211 -7.168 1.00 0.43 N ATOM 699 CA LYS A 47 0.295 2.913 -8.267 1.00 0.47 C ATOM 700 C LYS A 47 0.820 4.231 -7.712 1.00 0.43 C ATOM 701 O LYS A 47 0.035 5.023 -7.184 1.00 0.52 O ATOM 702 CB LYS A 47 -0.721 3.169 -9.365 1.00 0.57 C ATOM 703 CG LYS A 47 -1.339 1.890 -9.922 1.00 0.71 C ATOM 704 CD LYS A 47 -2.006 2.265 -11.250 1.00 1.32 C ATOM 705 CE LYS A 47 -2.864 1.132 -11.810 1.00 1.98 C ATOM 706 NZ LYS A 47 -2.097 -0.108 -12.032 1.00 3.09 N ATOM 0 H LYS A 47 -1.286 2.484 -6.981 1.00 0.43 H new ATOM 0 HA LYS A 47 1.104 2.325 -8.700 1.00 0.47 H new ATOM 0 HB2 LYS A 47 -1.514 3.808 -8.976 1.00 0.57 H new ATOM 0 HB3 LYS A 47 -0.240 3.716 -10.176 1.00 0.57 H new ATOM 0 HG2 LYS A 47 -0.576 1.126 -10.074 1.00 0.71 H new ATOM 0 HG3 LYS A 47 -2.069 1.478 -9.225 1.00 0.71 H new ATOM 0 HD2 LYS A 47 -2.626 3.150 -11.105 1.00 1.32 H new ATOM 0 HD3 LYS A 47 -1.238 2.530 -11.977 1.00 1.32 H new ATOM 0 HE2 LYS A 47 -3.684 0.929 -11.121 1.00 1.98 H new ATOM 0 HE3 LYS A 47 -3.310 1.451 -12.752 1.00 1.98 H new ATOM 0 HZ1 LYS A 47 -2.572 -0.685 -12.755 1.00 3.09 H new ATOM 0 HZ2 LYS A 47 -1.138 0.130 -12.355 1.00 3.09 H new ATOM 0 HZ3 LYS A 47 -2.040 -0.645 -11.143 1.00 3.09 H new ATOM 720 N TYR A 48 2.130 4.450 -7.794 1.00 0.52 N ATOM 721 CA TYR A 48 2.763 5.630 -7.219 1.00 0.51 C ATOM 722 C TYR A 48 4.113 5.900 -7.886 1.00 0.62 C ATOM 723 O TYR A 48 4.965 5.013 -7.941 1.00 1.41 O ATOM 724 CB TYR A 48 2.901 5.454 -5.696 1.00 0.79 C ATOM 725 CG TYR A 48 4.090 4.646 -5.224 1.00 1.04 C ATOM 726 CD1 TYR A 48 5.306 5.303 -4.971 1.00 2.10 C ATOM 727 CD2 TYR A 48 4.011 3.249 -5.102 1.00 2.46 C ATOM 728 CE1 TYR A 48 6.433 4.579 -4.559 1.00 2.34 C ATOM 729 CE2 TYR A 48 5.139 2.526 -4.684 1.00 2.72 C ATOM 730 CZ TYR A 48 6.357 3.183 -4.462 1.00 1.84 C ATOM 731 OH TYR A 48 7.482 2.463 -4.215 1.00 2.19 O ATOM 0 H TYR A 48 2.779 3.816 -8.260 1.00 0.52 H new ATOM 0 HA TYR A 48 2.136 6.502 -7.404 1.00 0.51 H new ATOM 0 HB2 TYR A 48 2.955 6.443 -5.240 1.00 0.79 H new ATOM 0 HB3 TYR A 48 1.994 4.980 -5.322 1.00 0.79 H new ATOM 0 HD1 TYR A 48 5.373 6.374 -5.095 1.00 2.10 H new ATOM 0 HD2 TYR A 48 3.089 2.735 -5.328 1.00 2.46 H new ATOM 0 HE1 TYR A 48 7.352 5.092 -4.318 1.00 2.34 H new ATOM 0 HE2 TYR A 48 5.068 1.459 -4.533 1.00 2.72 H new ATOM 0 HH TYR A 48 8.247 3.070 -4.134 1.00 2.19 H new ATOM 741 N ASP A 49 4.338 7.118 -8.377 1.00 0.71 N ATOM 742 CA ASP A 49 5.622 7.489 -8.950 1.00 0.77 C ATOM 743 C ASP A 49 6.650 7.575 -7.817 1.00 0.67 C ATOM 744 O ASP A 49 6.388 8.236 -6.812 1.00 0.83 O ATOM 745 CB ASP A 49 5.504 8.819 -9.709 1.00 1.09 C ATOM 746 CG ASP A 49 4.281 8.844 -10.612 1.00 2.19 C ATOM 747 OD1 ASP A 49 3.182 8.974 -10.029 1.00 3.38 O ATOM 748 OD2 ASP A 49 4.462 8.701 -11.840 1.00 2.94 O ATOM 0 H ASP A 49 3.642 7.864 -8.387 1.00 0.71 H new ATOM 0 HA ASP A 49 5.947 6.738 -9.670 1.00 0.77 H new ATOM 0 HB2 ASP A 49 5.447 9.641 -8.996 1.00 1.09 H new ATOM 0 HB3 ASP A 49 6.401 8.978 -10.307 1.00 1.09 H new ATOM 753 N PRO A 50 7.808 6.907 -7.917 1.00 0.66 N ATOM 754 CA PRO A 50 8.745 6.812 -6.813 1.00 0.84 C ATOM 755 C PRO A 50 9.267 8.184 -6.396 1.00 1.19 C ATOM 756 O PRO A 50 9.237 8.520 -5.216 1.00 2.44 O ATOM 757 CB PRO A 50 9.859 5.867 -7.277 1.00 0.83 C ATOM 758 CG PRO A 50 9.763 5.903 -8.803 1.00 0.86 C ATOM 759 CD PRO A 50 8.269 6.116 -9.042 1.00 0.75 C ATOM 0 HA PRO A 50 8.265 6.418 -5.917 1.00 0.84 H new ATOM 0 HB2 PRO A 50 10.837 6.202 -6.931 1.00 0.83 H new ATOM 0 HB3 PRO A 50 9.713 4.858 -6.892 1.00 0.83 H new ATOM 0 HG2 PRO A 50 10.360 6.710 -9.227 1.00 0.86 H new ATOM 0 HG3 PRO A 50 10.117 4.975 -9.253 1.00 0.86 H new ATOM 0 HD2 PRO A 50 8.092 6.633 -9.985 1.00 0.75 H new ATOM 0 HD3 PRO A 50 7.740 5.164 -9.096 1.00 0.75 H new ATOM 767 N GLU A 51 9.746 8.976 -7.354 1.00 0.76 N ATOM 768 CA GLU A 51 10.493 10.197 -7.093 1.00 0.99 C ATOM 769 C GLU A 51 9.754 11.230 -6.228 1.00 0.92 C ATOM 770 O GLU A 51 10.409 12.068 -5.611 1.00 1.25 O ATOM 771 CB GLU A 51 10.984 10.782 -8.423 1.00 1.29 C ATOM 772 CG GLU A 51 9.858 11.077 -9.424 1.00 1.39 C ATOM 773 CD GLU A 51 10.447 11.493 -10.764 1.00 2.17 C ATOM 774 OE1 GLU A 51 10.947 10.583 -11.458 1.00 2.72 O ATOM 775 OE2 GLU A 51 10.411 12.708 -11.051 1.00 3.23 O ATOM 0 H GLU A 51 9.622 8.781 -8.347 1.00 0.76 H new ATOM 0 HA GLU A 51 11.350 9.924 -6.478 1.00 0.99 H new ATOM 0 HB2 GLU A 51 11.531 11.704 -8.224 1.00 1.29 H new ATOM 0 HB3 GLU A 51 11.688 10.085 -8.878 1.00 1.29 H new ATOM 0 HG2 GLU A 51 9.233 10.193 -9.551 1.00 1.39 H new ATOM 0 HG3 GLU A 51 9.216 11.869 -9.038 1.00 1.39 H new ATOM 782 N ILE A 52 8.418 11.180 -6.155 1.00 0.83 N ATOM 783 CA ILE A 52 7.638 12.129 -5.367 1.00 0.92 C ATOM 784 C ILE A 52 7.333 11.599 -3.964 1.00 0.88 C ATOM 785 O ILE A 52 6.701 12.315 -3.188 1.00 1.32 O ATOM 786 CB ILE A 52 6.367 12.569 -6.122 1.00 1.05 C ATOM 787 CG1 ILE A 52 5.413 11.397 -6.410 1.00 1.78 C ATOM 788 CG2 ILE A 52 6.758 13.292 -7.419 1.00 1.52 C ATOM 789 CD1 ILE A 52 4.107 11.846 -7.073 1.00 2.33 C ATOM 0 H ILE A 52 7.854 10.482 -6.640 1.00 0.83 H new ATOM 0 HA ILE A 52 8.250 13.020 -5.226 1.00 0.92 H new ATOM 0 HB ILE A 52 5.821 13.256 -5.476 1.00 1.05 H new ATOM 0 HG12 ILE A 52 5.914 10.676 -7.056 1.00 1.78 H new ATOM 0 HG13 ILE A 52 5.184 10.883 -5.477 1.00 1.78 H new ATOM 0 HG21 ILE A 52 5.857 13.601 -7.949 1.00 1.52 H new ATOM 0 HG22 ILE A 52 7.357 14.170 -7.179 1.00 1.52 H new ATOM 0 HG23 ILE A 52 7.338 12.619 -8.050 1.00 1.52 H new ATOM 0 HD11 ILE A 52 3.473 10.978 -7.253 1.00 2.33 H new ATOM 0 HD12 ILE A 52 3.588 12.545 -6.417 1.00 2.33 H new ATOM 0 HD13 ILE A 52 4.330 12.335 -8.021 1.00 2.33 H new ATOM 801 N ILE A 53 7.749 10.371 -3.621 1.00 0.79 N ATOM 802 CA ILE A 53 7.385 9.797 -2.326 1.00 0.73 C ATOM 803 C ILE A 53 8.373 8.731 -1.826 1.00 1.20 C ATOM 804 O ILE A 53 8.800 8.766 -0.675 1.00 2.95 O ATOM 805 CB ILE A 53 5.936 9.282 -2.402 1.00 0.51 C ATOM 806 CG1 ILE A 53 5.429 9.004 -0.990 1.00 0.75 C ATOM 807 CG2 ILE A 53 5.803 8.060 -3.314 1.00 0.82 C ATOM 808 CD1 ILE A 53 3.963 8.618 -1.025 1.00 1.19 C ATOM 0 H ILE A 53 8.325 9.770 -4.211 1.00 0.79 H new ATOM 0 HA ILE A 53 7.446 10.582 -1.573 1.00 0.73 H new ATOM 0 HB ILE A 53 5.313 10.053 -2.854 1.00 0.51 H new ATOM 0 HG12 ILE A 53 6.013 8.202 -0.538 1.00 0.75 H new ATOM 0 HG13 ILE A 53 5.565 9.888 -0.367 1.00 0.75 H new ATOM 0 HG21 ILE A 53 4.763 7.733 -3.335 1.00 0.82 H new ATOM 0 HG22 ILE A 53 6.122 8.322 -4.323 1.00 0.82 H new ATOM 0 HG23 ILE A 53 6.429 7.253 -2.934 1.00 0.82 H new ATOM 0 HD11 ILE A 53 3.614 8.422 -0.011 1.00 1.19 H new ATOM 0 HD12 ILE A 53 3.382 9.433 -1.458 1.00 1.19 H new ATOM 0 HD13 ILE A 53 3.837 7.721 -1.631 1.00 1.19 H new ATOM 820 N GLY A 54 8.742 7.780 -2.685 1.00 0.67 N ATOM 821 CA GLY A 54 9.616 6.668 -2.354 1.00 0.54 C ATOM 822 C GLY A 54 8.851 5.506 -1.699 1.00 0.50 C ATOM 823 O GLY A 54 7.866 5.720 -0.995 1.00 0.58 O ATOM 0 H GLY A 54 8.429 7.767 -3.656 1.00 0.67 H new ATOM 0 HA2 GLY A 54 10.108 6.313 -3.259 1.00 0.54 H new ATOM 0 HA3 GLY A 54 10.400 7.012 -1.679 1.00 0.54 H new ATOM 827 N PRO A 55 9.301 4.257 -1.916 1.00 0.54 N ATOM 828 CA PRO A 55 8.692 3.073 -1.321 1.00 0.70 C ATOM 829 C PRO A 55 8.710 3.144 0.206 1.00 0.72 C ATOM 830 O PRO A 55 7.706 2.865 0.859 1.00 0.73 O ATOM 831 CB PRO A 55 9.501 1.870 -1.830 1.00 0.94 C ATOM 832 CG PRO A 55 10.797 2.460 -2.391 1.00 0.76 C ATOM 833 CD PRO A 55 10.458 3.911 -2.725 1.00 0.57 C ATOM 0 HA PRO A 55 7.643 2.990 -1.606 1.00 0.70 H new ATOM 0 HB2 PRO A 55 9.707 1.165 -1.024 1.00 0.94 H new ATOM 0 HB3 PRO A 55 8.953 1.325 -2.598 1.00 0.94 H new ATOM 0 HG2 PRO A 55 11.605 2.401 -1.662 1.00 0.76 H new ATOM 0 HG3 PRO A 55 11.127 1.918 -3.277 1.00 0.76 H new ATOM 0 HD2 PRO A 55 11.299 4.568 -2.502 1.00 0.57 H new ATOM 0 HD3 PRO A 55 10.238 4.024 -3.787 1.00 0.57 H new ATOM 841 N ARG A 56 9.874 3.492 0.767 1.00 0.80 N ATOM 842 CA ARG A 56 10.121 3.495 2.201 1.00 0.92 C ATOM 843 C ARG A 56 9.002 4.196 2.969 1.00 0.77 C ATOM 844 O ARG A 56 8.582 3.676 4.002 1.00 0.73 O ATOM 845 CB ARG A 56 11.493 4.123 2.487 1.00 1.23 C ATOM 846 CG ARG A 56 11.900 4.152 3.971 1.00 2.46 C ATOM 847 CD ARG A 56 12.023 2.765 4.621 1.00 3.31 C ATOM 848 NE ARG A 56 10.715 2.226 5.031 1.00 4.70 N ATOM 849 CZ ARG A 56 10.518 1.048 5.646 1.00 6.11 C ATOM 850 NH1 ARG A 56 11.538 0.228 5.908 1.00 6.52 N ATOM 851 NH2 ARG A 56 9.290 0.691 5.999 1.00 7.62 N ATOM 0 H ARG A 56 10.683 3.784 0.219 1.00 0.80 H new ATOM 0 HA ARG A 56 10.132 2.464 2.554 1.00 0.92 H new ATOM 0 HB2 ARG A 56 12.251 3.573 1.929 1.00 1.23 H new ATOM 0 HB3 ARG A 56 11.495 5.144 2.106 1.00 1.23 H new ATOM 0 HG2 ARG A 56 12.855 4.670 4.064 1.00 2.46 H new ATOM 0 HG3 ARG A 56 11.166 4.736 4.526 1.00 2.46 H new ATOM 0 HD2 ARG A 56 12.494 2.077 3.919 1.00 3.31 H new ATOM 0 HD3 ARG A 56 12.677 2.830 5.491 1.00 3.31 H new ATOM 0 HE ARG A 56 9.891 2.794 4.832 1.00 4.70 H new ATOM 0 HH11 ARG A 56 12.486 0.492 5.640 1.00 6.52 H new ATOM 0 HH12 ARG A 56 11.369 -0.663 6.376 1.00 6.52 H new ATOM 0 HH21 ARG A 56 8.503 1.309 5.803 1.00 7.62 H new ATOM 0 HH22 ARG A 56 9.133 -0.202 6.466 1.00 7.62 H new ATOM 865 N ASP A 57 8.539 5.350 2.477 1.00 0.74 N ATOM 866 CA ASP A 57 7.479 6.132 3.101 1.00 0.69 C ATOM 867 C ASP A 57 6.179 5.329 3.179 1.00 0.57 C ATOM 868 O ASP A 57 5.606 5.153 4.255 1.00 0.56 O ATOM 869 CB ASP A 57 7.274 7.426 2.306 1.00 0.77 C ATOM 870 CG ASP A 57 6.104 8.236 2.847 1.00 2.64 C ATOM 871 OD1 ASP A 57 5.938 8.241 4.084 1.00 3.92 O ATOM 872 OD2 ASP A 57 5.373 8.820 2.018 1.00 3.62 O ATOM 0 H ASP A 57 8.899 5.769 1.620 1.00 0.74 H new ATOM 0 HA ASP A 57 7.771 6.379 4.122 1.00 0.69 H new ATOM 0 HB2 ASP A 57 8.183 8.027 2.346 1.00 0.77 H new ATOM 0 HB3 ASP A 57 7.097 7.186 1.258 1.00 0.77 H new ATOM 877 N ILE A 58 5.721 4.802 2.039 1.00 0.52 N ATOM 878 CA ILE A 58 4.499 4.010 1.997 1.00 0.46 C ATOM 879 C ILE A 58 4.636 2.816 2.935 1.00 0.44 C ATOM 880 O ILE A 58 3.787 2.602 3.801 1.00 0.45 O ATOM 881 CB ILE A 58 4.173 3.578 0.557 1.00 0.47 C ATOM 882 CG1 ILE A 58 3.609 4.759 -0.231 1.00 0.54 C ATOM 883 CG2 ILE A 58 3.154 2.438 0.512 1.00 0.47 C ATOM 884 CD1 ILE A 58 4.128 4.739 -1.666 1.00 0.67 C ATOM 0 H ILE A 58 6.182 4.913 1.136 1.00 0.52 H new ATOM 0 HA ILE A 58 3.661 4.618 2.338 1.00 0.46 H new ATOM 0 HB ILE A 58 5.106 3.228 0.114 1.00 0.47 H new ATOM 0 HG12 ILE A 58 2.520 4.717 -0.231 1.00 0.54 H new ATOM 0 HG13 ILE A 58 3.892 5.694 0.252 1.00 0.54 H new ATOM 0 HG21 ILE A 58 2.956 2.168 -0.525 1.00 0.47 H new ATOM 0 HG22 ILE A 58 3.552 1.573 1.043 1.00 0.47 H new ATOM 0 HG23 ILE A 58 2.227 2.760 0.987 1.00 0.47 H new ATOM 0 HD11 ILE A 58 3.717 5.587 -2.214 1.00 0.67 H new ATOM 0 HD12 ILE A 58 5.216 4.804 -1.660 1.00 0.67 H new ATOM 0 HD13 ILE A 58 3.823 3.812 -2.150 1.00 0.67 H new ATOM 896 N ILE A 59 5.711 2.044 2.773 1.00 0.47 N ATOM 897 CA ILE A 59 5.920 0.845 3.573 1.00 0.50 C ATOM 898 C ILE A 59 5.923 1.229 5.059 1.00 0.54 C ATOM 899 O ILE A 59 5.244 0.600 5.863 1.00 0.59 O ATOM 900 CB ILE A 59 7.211 0.121 3.149 1.00 0.59 C ATOM 901 CG1 ILE A 59 7.194 -0.256 1.656 1.00 0.70 C ATOM 902 CG2 ILE A 59 7.384 -1.171 3.963 1.00 0.84 C ATOM 903 CD1 ILE A 59 8.607 -0.521 1.132 1.00 1.57 C ATOM 0 H ILE A 59 6.449 2.231 2.094 1.00 0.47 H new ATOM 0 HA ILE A 59 5.106 0.140 3.405 1.00 0.50 H new ATOM 0 HB ILE A 59 8.036 0.810 3.333 1.00 0.59 H new ATOM 0 HG12 ILE A 59 6.578 -1.143 1.510 1.00 0.70 H new ATOM 0 HG13 ILE A 59 6.736 0.549 1.081 1.00 0.70 H new ATOM 0 HG21 ILE A 59 8.300 -1.675 3.655 1.00 0.84 H new ATOM 0 HG22 ILE A 59 7.443 -0.928 5.024 1.00 0.84 H new ATOM 0 HG23 ILE A 59 6.532 -1.828 3.788 1.00 0.84 H new ATOM 0 HD11 ILE A 59 8.560 -0.785 0.075 1.00 1.57 H new ATOM 0 HD12 ILE A 59 9.215 0.375 1.256 1.00 1.57 H new ATOM 0 HD13 ILE A 59 9.054 -1.343 1.691 1.00 1.57 H new ATOM 915 N HIS A 60 6.667 2.281 5.422 1.00 0.58 N ATOM 916 CA HIS A 60 6.767 2.765 6.790 1.00 0.68 C ATOM 917 C HIS A 60 5.392 3.151 7.310 1.00 0.66 C ATOM 918 O HIS A 60 5.055 2.861 8.454 1.00 0.74 O ATOM 919 CB HIS A 60 7.728 3.957 6.848 1.00 0.83 C ATOM 920 CG HIS A 60 7.871 4.536 8.227 1.00 1.81 C ATOM 921 ND1 HIS A 60 7.127 5.565 8.756 1.00 3.44 N ATOM 922 CD2 HIS A 60 8.757 4.119 9.182 1.00 2.20 C ATOM 923 CE1 HIS A 60 7.564 5.766 10.011 1.00 4.69 C ATOM 924 NE2 HIS A 60 8.558 4.915 10.315 1.00 3.97 N ATOM 0 H HIS A 60 7.221 2.822 4.759 1.00 0.58 H new ATOM 0 HA HIS A 60 7.160 1.972 7.426 1.00 0.68 H new ATOM 0 HB2 HIS A 60 8.708 3.643 6.490 1.00 0.83 H new ATOM 0 HB3 HIS A 60 7.375 4.734 6.170 1.00 0.83 H new ATOM 0 HD2 HIS A 60 9.478 3.321 9.080 1.00 2.20 H new ATOM 0 HE1 HIS A 60 7.169 6.512 10.685 1.00 4.69 H new ATOM 0 HE2 HIS A 60 9.067 4.860 11.197 1.00 3.97 H new ATOM 932 N THR A 61 4.590 3.811 6.480 1.00 0.61 N ATOM 933 CA THR A 61 3.243 4.176 6.864 1.00 0.64 C ATOM 934 C THR A 61 2.409 2.916 7.122 1.00 0.56 C ATOM 935 O THR A 61 1.729 2.832 8.140 1.00 0.56 O ATOM 936 CB THR A 61 2.657 5.129 5.819 1.00 0.72 C ATOM 937 OG1 THR A 61 3.511 6.251 5.748 1.00 0.93 O ATOM 938 CG2 THR A 61 1.264 5.610 6.226 1.00 0.75 C ATOM 0 H THR A 61 4.855 4.101 5.539 1.00 0.61 H new ATOM 0 HA THR A 61 3.238 4.722 7.807 1.00 0.64 H new ATOM 0 HB THR A 61 2.576 4.611 4.863 1.00 0.72 H new ATOM 0 HG1 THR A 61 4.316 6.018 5.241 1.00 0.93 H new ATOM 0 HG21 THR A 61 0.875 6.285 5.464 1.00 0.75 H new ATOM 0 HG22 THR A 61 0.598 4.753 6.326 1.00 0.75 H new ATOM 0 HG23 THR A 61 1.325 6.135 7.179 1.00 0.75 H new ATOM 946 N ILE A 62 2.483 1.921 6.237 1.00 0.56 N ATOM 947 CA ILE A 62 1.756 0.662 6.382 1.00 0.57 C ATOM 948 C ILE A 62 2.170 -0.064 7.678 1.00 0.61 C ATOM 949 O ILE A 62 1.301 -0.426 8.480 1.00 0.65 O ATOM 950 CB ILE A 62 1.904 -0.159 5.085 1.00 0.52 C ATOM 951 CG1 ILE A 62 1.162 0.564 3.944 1.00 0.58 C ATOM 952 CG2 ILE A 62 1.323 -1.566 5.234 1.00 0.57 C ATOM 953 CD1 ILE A 62 1.478 -0.004 2.559 1.00 0.78 C ATOM 0 H ILE A 62 3.054 1.968 5.393 1.00 0.56 H new ATOM 0 HA ILE A 62 0.687 0.837 6.506 1.00 0.57 H new ATOM 0 HB ILE A 62 2.968 -0.250 4.865 1.00 0.52 H new ATOM 0 HG12 ILE A 62 0.088 0.498 4.119 1.00 0.58 H new ATOM 0 HG13 ILE A 62 1.424 1.622 3.963 1.00 0.58 H new ATOM 0 HG21 ILE A 62 1.447 -2.112 4.299 1.00 0.57 H new ATOM 0 HG22 ILE A 62 1.845 -2.092 6.033 1.00 0.57 H new ATOM 0 HG23 ILE A 62 0.262 -1.498 5.476 1.00 0.57 H new ATOM 0 HD11 ILE A 62 0.923 0.551 1.803 1.00 0.78 H new ATOM 0 HD12 ILE A 62 2.547 0.087 2.364 1.00 0.78 H new ATOM 0 HD13 ILE A 62 1.190 -1.055 2.522 1.00 0.78 H new ATOM 965 N GLU A 63 3.479 -0.222 7.912 1.00 0.67 N ATOM 966 CA GLU A 63 4.033 -0.720 9.171 1.00 0.88 C ATOM 967 C GLU A 63 3.428 0.055 10.345 1.00 0.77 C ATOM 968 O GLU A 63 2.807 -0.521 11.235 1.00 0.81 O ATOM 969 CB GLU A 63 5.561 -0.541 9.177 1.00 1.19 C ATOM 970 CG GLU A 63 6.326 -1.467 8.218 1.00 1.34 C ATOM 971 CD GLU A 63 7.775 -1.013 8.037 1.00 2.06 C ATOM 972 OE1 GLU A 63 8.182 -0.030 8.688 1.00 2.70 O ATOM 973 OE2 GLU A 63 8.473 -1.568 7.159 1.00 2.99 O ATOM 0 H GLU A 63 4.193 -0.003 7.217 1.00 0.67 H new ATOM 0 HA GLU A 63 3.792 -1.778 9.270 1.00 0.88 H new ATOM 0 HB2 GLU A 63 5.792 0.493 8.921 1.00 1.19 H new ATOM 0 HB3 GLU A 63 5.928 -0.708 10.190 1.00 1.19 H new ATOM 0 HG2 GLU A 63 6.309 -2.486 8.604 1.00 1.34 H new ATOM 0 HG3 GLU A 63 5.825 -1.484 7.250 1.00 1.34 H new ATOM 980 N SER A 64 3.632 1.372 10.326 1.00 0.73 N ATOM 981 CA SER A 64 3.249 2.306 11.372 1.00 0.74 C ATOM 982 C SER A 64 1.766 2.161 11.728 1.00 0.71 C ATOM 983 O SER A 64 1.427 2.048 12.903 1.00 0.92 O ATOM 984 CB SER A 64 3.634 3.724 10.927 1.00 0.68 C ATOM 985 OG SER A 64 3.250 4.692 11.884 1.00 0.77 O ATOM 0 H SER A 64 4.091 1.834 9.541 1.00 0.73 H new ATOM 0 HA SER A 64 3.787 2.085 12.294 1.00 0.74 H new ATOM 0 HB2 SER A 64 4.711 3.776 10.768 1.00 0.68 H new ATOM 0 HB3 SER A 64 3.159 3.948 9.972 1.00 0.68 H new ATOM 0 HG SER A 64 3.511 5.583 11.571 1.00 0.77 H new ATOM 991 N LEU A 65 0.876 2.137 10.729 1.00 0.67 N ATOM 992 CA LEU A 65 -0.534 1.897 10.970 1.00 0.63 C ATOM 993 C LEU A 65 -0.751 0.543 11.643 1.00 0.60 C ATOM 994 O LEU A 65 -1.442 0.469 12.657 1.00 0.80 O ATOM 995 CB LEU A 65 -1.288 1.939 9.640 1.00 0.72 C ATOM 996 CG LEU A 65 -1.304 3.348 9.035 1.00 0.92 C ATOM 997 CD1 LEU A 65 -1.485 3.216 7.526 1.00 1.63 C ATOM 998 CD2 LEU A 65 -2.427 4.192 9.637 1.00 1.43 C ATOM 0 H LEU A 65 1.117 2.282 9.749 1.00 0.67 H new ATOM 0 HA LEU A 65 -0.911 2.673 11.636 1.00 0.63 H new ATOM 0 HB2 LEU A 65 -0.823 1.248 8.937 1.00 0.72 H new ATOM 0 HB3 LEU A 65 -2.312 1.598 9.792 1.00 0.72 H new ATOM 0 HG LEU A 65 -0.364 3.853 9.259 1.00 0.92 H new ATOM 0 HD11 LEU A 65 -1.499 4.207 7.073 1.00 1.63 H new ATOM 0 HD12 LEU A 65 -0.659 2.639 7.110 1.00 1.63 H new ATOM 0 HD13 LEU A 65 -2.426 2.707 7.316 1.00 1.63 H new ATOM 0 HD21 LEU A 65 -2.415 5.186 9.190 1.00 1.43 H new ATOM 0 HD22 LEU A 65 -3.387 3.716 9.437 1.00 1.43 H new ATOM 0 HD23 LEU A 65 -2.281 4.277 10.714 1.00 1.43 H new ATOM 1010 N GLY A 66 -0.250 -0.530 11.027 1.00 0.79 N ATOM 1011 CA GLY A 66 -0.473 -1.869 11.560 1.00 0.76 C ATOM 1012 C GLY A 66 0.505 -2.942 11.084 1.00 1.04 C ATOM 1013 O GLY A 66 0.798 -3.874 11.830 1.00 1.67 O ATOM 0 H GLY A 66 0.304 -0.497 10.171 1.00 0.79 H new ATOM 0 HA2 GLY A 66 -0.428 -1.819 12.648 1.00 0.76 H new ATOM 0 HA3 GLY A 66 -1.483 -2.182 11.297 1.00 0.76 H new ATOM 1017 N PHE A 67 0.869 -2.913 9.801 1.00 0.74 N ATOM 1018 CA PHE A 67 0.869 -4.123 8.993 1.00 0.58 C ATOM 1019 C PHE A 67 2.247 -4.378 8.398 1.00 0.84 C ATOM 1020 O PHE A 67 2.811 -3.473 7.788 1.00 1.60 O ATOM 1021 CB PHE A 67 -0.145 -3.912 7.859 1.00 0.44 C ATOM 1022 CG PHE A 67 -1.454 -3.269 8.280 1.00 0.50 C ATOM 1023 CD1 PHE A 67 -2.410 -4.035 8.963 1.00 1.71 C ATOM 1024 CD2 PHE A 67 -1.689 -1.896 8.062 1.00 1.95 C ATOM 1025 CE1 PHE A 67 -3.653 -3.474 9.298 1.00 1.70 C ATOM 1026 CE2 PHE A 67 -2.926 -1.330 8.412 1.00 1.97 C ATOM 1027 CZ PHE A 67 -3.935 -2.140 8.959 1.00 0.55 C ATOM 0 H PHE A 67 1.164 -2.071 9.307 1.00 0.74 H new ATOM 0 HA PHE A 67 0.606 -4.983 9.609 1.00 0.58 H new ATOM 0 HB2 PHE A 67 0.316 -3.292 7.090 1.00 0.44 H new ATOM 0 HB3 PHE A 67 -0.362 -4.877 7.402 1.00 0.44 H new ATOM 0 HD1 PHE A 67 -2.190 -5.058 9.232 1.00 1.71 H new ATOM 0 HD2 PHE A 67 -0.917 -1.279 7.626 1.00 1.95 H new ATOM 0 HE1 PHE A 67 -4.392 -4.068 9.816 1.00 1.70 H new ATOM 0 HE2 PHE A 67 -3.101 -0.275 8.261 1.00 1.97 H new ATOM 0 HZ PHE A 67 -4.925 -1.738 9.119 1.00 0.55 H new ATOM 1037 N GLU A 68 2.774 -5.599 8.486 1.00 0.57 N ATOM 1038 CA GLU A 68 4.015 -5.912 7.801 1.00 0.59 C ATOM 1039 C GLU A 68 3.643 -6.133 6.333 1.00 0.51 C ATOM 1040 O GLU A 68 2.645 -6.797 6.039 1.00 0.90 O ATOM 1041 CB GLU A 68 4.733 -7.122 8.429 1.00 0.86 C ATOM 1042 CG GLU A 68 4.552 -7.247 9.954 1.00 1.79 C ATOM 1043 CD GLU A 68 3.349 -8.100 10.341 1.00 2.95 C ATOM 1044 OE1 GLU A 68 2.218 -7.730 9.975 1.00 4.24 O ATOM 1045 OE2 GLU A 68 3.584 -9.196 10.897 1.00 3.38 O ATOM 0 H GLU A 68 2.366 -6.370 9.015 1.00 0.57 H new ATOM 0 HA GLU A 68 4.735 -5.099 7.892 1.00 0.59 H new ATOM 0 HB2 GLU A 68 4.366 -8.033 7.956 1.00 0.86 H new ATOM 0 HB3 GLU A 68 5.798 -7.053 8.206 1.00 0.86 H new ATOM 0 HG2 GLU A 68 5.453 -7.681 10.387 1.00 1.79 H new ATOM 0 HG3 GLU A 68 4.439 -6.252 10.384 1.00 1.79 H new ATOM 1052 N ALA A 69 4.392 -5.531 5.406 1.00 0.61 N ATOM 1053 CA ALA A 69 4.036 -5.535 3.998 1.00 0.70 C ATOM 1054 C ALA A 69 5.290 -5.584 3.134 1.00 0.91 C ATOM 1055 O ALA A 69 6.322 -5.033 3.510 1.00 1.49 O ATOM 1056 CB ALA A 69 3.177 -4.310 3.683 1.00 1.21 C ATOM 0 H ALA A 69 5.256 -5.032 5.616 1.00 0.61 H new ATOM 0 HA ALA A 69 3.451 -6.426 3.771 1.00 0.70 H new ATOM 0 HB1 ALA A 69 2.911 -4.314 2.626 1.00 1.21 H new ATOM 0 HB2 ALA A 69 2.269 -4.337 4.286 1.00 1.21 H new ATOM 0 HB3 ALA A 69 3.738 -3.404 3.912 1.00 1.21 H new ATOM 1062 N SER A 70 5.201 -6.274 1.994 1.00 0.73 N ATOM 1063 CA SER A 70 6.328 -6.591 1.137 1.00 0.89 C ATOM 1064 C SER A 70 5.949 -6.343 -0.317 1.00 0.88 C ATOM 1065 O SER A 70 5.165 -7.110 -0.872 1.00 0.74 O ATOM 1066 CB SER A 70 6.691 -8.069 1.330 1.00 1.01 C ATOM 1067 OG SER A 70 7.938 -8.360 0.724 1.00 2.50 O ATOM 0 H SER A 70 4.315 -6.634 1.639 1.00 0.73 H new ATOM 0 HA SER A 70 7.180 -5.962 1.394 1.00 0.89 H new ATOM 0 HB2 SER A 70 6.734 -8.302 2.394 1.00 1.01 H new ATOM 0 HB3 SER A 70 5.914 -8.699 0.897 1.00 1.01 H new ATOM 0 HG SER A 70 8.154 -9.306 0.859 1.00 2.50 H new ATOM 1073 N LEU A 71 6.535 -5.319 -0.944 1.00 1.19 N ATOM 1074 CA LEU A 71 6.518 -5.154 -2.394 1.00 1.16 C ATOM 1075 C LEU A 71 6.831 -6.488 -3.074 1.00 1.05 C ATOM 1076 O LEU A 71 7.911 -7.053 -2.875 1.00 1.27 O ATOM 1077 CB LEU A 71 7.490 -4.046 -2.812 1.00 1.42 C ATOM 1078 CG LEU A 71 8.918 -4.170 -2.245 1.00 1.04 C ATOM 1079 CD1 LEU A 71 9.947 -4.105 -3.378 1.00 2.12 C ATOM 1080 CD2 LEU A 71 9.194 -3.038 -1.249 1.00 2.01 C ATOM 0 H LEU A 71 7.037 -4.579 -0.454 1.00 1.19 H new ATOM 0 HA LEU A 71 5.523 -4.848 -2.717 1.00 1.16 H new ATOM 0 HB2 LEU A 71 7.550 -4.030 -3.900 1.00 1.42 H new ATOM 0 HB3 LEU A 71 7.076 -3.087 -2.501 1.00 1.42 H new ATOM 0 HG LEU A 71 9.001 -5.130 -1.735 1.00 1.04 H new ATOM 0 HD11 LEU A 71 10.951 -4.194 -2.963 1.00 2.12 H new ATOM 0 HD12 LEU A 71 9.770 -4.922 -4.078 1.00 2.12 H new ATOM 0 HD13 LEU A 71 9.853 -3.153 -3.901 1.00 2.12 H new ATOM 0 HD21 LEU A 71 10.206 -3.138 -0.856 1.00 2.01 H new ATOM 0 HD22 LEU A 71 9.094 -2.077 -1.753 1.00 2.01 H new ATOM 0 HD23 LEU A 71 8.479 -3.093 -0.428 1.00 2.01 H new ATOM 1092 N VAL A 72 5.874 -7.020 -3.833 1.00 1.05 N ATOM 1093 CA VAL A 72 6.047 -8.261 -4.561 1.00 0.96 C ATOM 1094 C VAL A 72 7.096 -8.021 -5.654 1.00 1.12 C ATOM 1095 O VAL A 72 7.237 -6.895 -6.131 1.00 2.35 O ATOM 1096 CB VAL A 72 4.709 -8.739 -5.150 1.00 1.70 C ATOM 1097 CG1 VAL A 72 3.592 -8.749 -4.105 1.00 2.66 C ATOM 1098 CG2 VAL A 72 4.274 -7.943 -6.387 1.00 2.56 C ATOM 0 H VAL A 72 4.955 -6.595 -3.956 1.00 1.05 H new ATOM 0 HA VAL A 72 6.391 -9.051 -3.893 1.00 0.96 H new ATOM 0 HB VAL A 72 4.888 -9.764 -5.473 1.00 1.70 H new ATOM 0 HG11 VAL A 72 2.666 -9.093 -4.566 1.00 2.66 H new ATOM 0 HG12 VAL A 72 3.863 -9.420 -3.289 1.00 2.66 H new ATOM 0 HG13 VAL A 72 3.450 -7.741 -3.714 1.00 2.66 H new ATOM 0 HG21 VAL A 72 3.323 -8.330 -6.753 1.00 2.56 H new ATOM 0 HG22 VAL A 72 4.160 -6.892 -6.122 1.00 2.56 H new ATOM 0 HG23 VAL A 72 5.030 -8.040 -7.166 1.00 2.56 H new ATOM 1108 N LYS A 73 7.827 -9.058 -6.065 1.00 2.01 N ATOM 1109 CA LYS A 73 8.714 -8.976 -7.221 1.00 2.81 C ATOM 1110 C LYS A 73 8.028 -9.656 -8.404 1.00 2.76 C ATOM 1111 O LYS A 73 8.249 -10.835 -8.669 1.00 3.55 O ATOM 1112 CB LYS A 73 10.096 -9.563 -6.894 1.00 4.07 C ATOM 1113 CG LYS A 73 11.096 -8.469 -6.482 1.00 4.95 C ATOM 1114 CD LYS A 73 10.719 -7.660 -5.233 1.00 5.57 C ATOM 1115 CE LYS A 73 10.748 -8.546 -3.980 1.00 7.32 C ATOM 1116 NZ LYS A 73 10.487 -7.770 -2.752 1.00 8.51 N ATOM 0 H LYS A 73 7.820 -9.970 -5.609 1.00 2.01 H new ATOM 0 HA LYS A 73 8.899 -7.937 -7.492 1.00 2.81 H new ATOM 0 HB2 LYS A 73 10.001 -10.291 -6.088 1.00 4.07 H new ATOM 0 HB3 LYS A 73 10.479 -10.098 -7.763 1.00 4.07 H new ATOM 0 HG2 LYS A 73 12.067 -8.935 -6.311 1.00 4.95 H new ATOM 0 HG3 LYS A 73 11.216 -7.779 -7.317 1.00 4.95 H new ATOM 0 HD2 LYS A 73 11.412 -6.827 -5.111 1.00 5.57 H new ATOM 0 HD3 LYS A 73 9.724 -7.232 -5.358 1.00 5.57 H new ATOM 0 HE2 LYS A 73 10.003 -9.335 -4.076 1.00 7.32 H new ATOM 0 HE3 LYS A 73 11.720 -9.033 -3.902 1.00 7.32 H new ATOM 0 HZ1 LYS A 73 10.942 -8.238 -1.942 1.00 8.51 H new ATOM 0 HZ2 LYS A 73 10.874 -6.810 -2.859 1.00 8.51 H new ATOM 0 HZ3 LYS A 73 9.462 -7.714 -2.588 1.00 8.51 H new ATOM 1130 N ILE A 74 7.183 -8.892 -9.101 1.00 2.67 N ATOM 1131 CA ILE A 74 6.735 -9.239 -10.445 1.00 3.52 C ATOM 1132 C ILE A 74 7.867 -8.948 -11.437 1.00 4.48 C ATOM 1133 O ILE A 74 8.197 -9.809 -12.248 1.00 5.49 O ATOM 1134 CB ILE A 74 5.403 -8.540 -10.806 1.00 3.78 C ATOM 1135 CG1 ILE A 74 5.364 -7.039 -10.445 1.00 4.17 C ATOM 1136 CG2 ILE A 74 4.245 -9.304 -10.149 1.00 4.39 C ATOM 1137 CD1 ILE A 74 4.064 -6.344 -10.864 1.00 4.47 C ATOM 0 H ILE A 74 6.793 -8.018 -8.747 1.00 2.67 H new ATOM 0 HA ILE A 74 6.511 -10.305 -10.495 1.00 3.52 H new ATOM 0 HB ILE A 74 5.304 -8.567 -11.891 1.00 3.78 H new ATOM 0 HG12 ILE A 74 5.495 -6.929 -9.369 1.00 4.17 H new ATOM 0 HG13 ILE A 74 6.206 -6.537 -10.922 1.00 4.17 H new ATOM 0 HG21 ILE A 74 3.301 -8.819 -10.398 1.00 4.39 H new ATOM 0 HG22 ILE A 74 4.232 -10.331 -10.515 1.00 4.39 H new ATOM 0 HG23 ILE A 74 4.378 -9.306 -9.067 1.00 4.39 H new ATOM 0 HD11 ILE A 74 4.106 -5.293 -10.580 1.00 4.47 H new ATOM 0 HD12 ILE A 74 3.941 -6.423 -11.944 1.00 4.47 H new ATOM 0 HD13 ILE A 74 3.220 -6.821 -10.367 1.00 4.47 H new ATOM 1149 N GLU A 75 8.474 -7.762 -11.309 1.00 4.95 N ATOM 1150 CA GLU A 75 9.535 -7.258 -12.170 1.00 6.41 C ATOM 1151 C GLU A 75 9.132 -7.343 -13.650 1.00 7.25 C ATOM 1152 O GLU A 75 7.950 -7.030 -13.925 1.00 7.37 O ATOM 1153 CB GLU A 75 10.872 -7.938 -11.832 1.00 7.39 C ATOM 1154 CG GLU A 75 11.233 -7.747 -10.346 1.00 7.44 C ATOM 1155 CD GLU A 75 12.628 -8.260 -10.003 1.00 8.61 C ATOM 1156 OE1 GLU A 75 13.566 -7.931 -10.759 1.00 9.43 O ATOM 1157 OE2 GLU A 75 12.739 -8.941 -8.959 1.00 9.09 O ATOM 1158 OXT GLU A 75 10.006 -7.676 -14.479 1.00 8.31 O ATOM 0 H GLU A 75 8.224 -7.105 -10.570 1.00 4.95 H new ATOM 0 HA GLU A 75 9.688 -6.196 -11.978 1.00 6.41 H new ATOM 0 HB2 GLU A 75 10.810 -9.002 -12.060 1.00 7.39 H new ATOM 0 HB3 GLU A 75 11.663 -7.523 -12.457 1.00 7.39 H new ATOM 0 HG2 GLU A 75 11.169 -6.688 -10.095 1.00 7.44 H new ATOM 0 HG3 GLU A 75 10.499 -8.266 -9.729 1.00 7.44 H new TER 1165 GLU A 75