USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 89 SER OG : rot 88:sc= 1.37 USER MOD Set 1.2: A 93 HIS : no HE2:sc= -1.79 K(o=-0.42,f=-2.1!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -144:sc= 0.161 (180deg=0) USER MOD Set 2.2: A 73 GLN : amide:sc= 0.157 K(o=0.32,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -137:sc= 0 (180deg=-0.776) USER MOD Single : A 11 SER OG : rot 37:sc= 0.126 USER MOD Single : A 17 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.93) USER MOD Single : A 20 SER OG : rot 76:sc= -0.551 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.11) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0279 (180deg=-0.312) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.07) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0181 F(o=-1.8!,f=-0.018) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= 0.232 X(o=0.23,f=-0.037) USER MOD Single : A 61 SER OG : rot 70:sc=-0.00931 USER MOD Single : A 65 MET CE :methyl 161:sc= -0.141 (180deg=-0.673) USER MOD Single : A 68 SER OG : rot 97:sc= 0.514 USER MOD Single : A 69 SER OG : rot 58:sc= 1.13 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -162:sc= -0.0974 (180deg=-0.561) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0529) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0327 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.519 -5.853 14.901 1.00 6.55 N ATOM 2 CA GLY A 1 14.185 -6.097 14.304 1.00 6.13 C ATOM 3 C GLY A 1 13.104 -5.270 14.963 1.00 5.56 C ATOM 4 O GLY A 1 12.936 -4.095 14.627 1.00 5.62 O ATOM 0 H1 GLY A 1 16.228 -6.441 14.418 1.00 6.55 H new ATOM 0 H2 GLY A 1 15.769 -4.849 14.793 1.00 6.55 H new ATOM 0 H3 GLY A 1 15.497 -6.097 15.912 1.00 6.55 H new ATOM 0 HA2 GLY A 1 14.218 -5.867 13.239 1.00 6.13 H new ATOM 0 HA3 GLY A 1 13.937 -7.155 14.394 1.00 6.13 H new ATOM 10 N ALA A 2 12.386 -5.886 15.907 1.00 5.41 N ATOM 11 CA ALA A 2 11.271 -5.253 16.619 1.00 5.31 C ATOM 12 C ALA A 2 10.090 -4.992 15.685 1.00 4.43 C ATOM 13 O ALA A 2 9.053 -5.646 15.787 1.00 4.77 O ATOM 14 CB ALA A 2 11.711 -3.968 17.310 1.00 6.37 C ATOM 0 H ALA A 2 12.564 -6.846 16.201 1.00 5.41 H new ATOM 0 HA ALA A 2 10.940 -5.950 17.389 1.00 5.31 H new ATOM 0 HB1 ALA A 2 10.861 -3.524 17.828 1.00 6.37 H new ATOM 0 HB2 ALA A 2 12.498 -4.193 18.030 1.00 6.37 H new ATOM 0 HB3 ALA A 2 12.089 -3.266 16.567 1.00 6.37 H new ATOM 20 N MET A 3 10.256 -4.043 14.774 1.00 3.71 N ATOM 21 CA MET A 3 9.236 -3.745 13.782 1.00 3.29 C ATOM 22 C MET A 3 9.389 -4.686 12.597 1.00 2.27 C ATOM 23 O MET A 3 10.302 -4.528 11.781 1.00 2.62 O ATOM 24 CB MET A 3 9.342 -2.292 13.318 1.00 3.97 C ATOM 25 CG MET A 3 9.109 -1.278 14.426 1.00 4.59 C ATOM 26 SD MET A 3 7.471 -1.421 15.164 1.00 5.49 S ATOM 27 CE MET A 3 7.551 -0.126 16.400 1.00 6.18 C ATOM 0 H MET A 3 11.093 -3.464 14.703 1.00 3.71 H new ATOM 0 HA MET A 3 8.254 -3.888 14.233 1.00 3.29 H new ATOM 0 HB2 MET A 3 10.331 -2.128 12.890 1.00 3.97 H new ATOM 0 HB3 MET A 3 8.617 -2.120 12.522 1.00 3.97 H new ATOM 0 HG2 MET A 3 9.865 -1.411 15.200 1.00 4.59 H new ATOM 0 HG3 MET A 3 9.236 -0.272 14.026 1.00 4.59 H new ATOM 0 HE1 MET A 3 7.116 -0.486 17.333 1.00 6.18 H new ATOM 0 HE2 MET A 3 8.591 0.153 16.568 1.00 6.18 H new ATOM 0 HE3 MET A 3 6.994 0.744 16.052 1.00 6.18 H new ATOM 37 N GLU A 4 8.509 -5.671 12.522 1.00 1.66 N ATOM 38 CA GLU A 4 8.590 -6.700 11.497 1.00 1.27 C ATOM 39 C GLU A 4 8.156 -6.182 10.133 1.00 1.17 C ATOM 40 O GLU A 4 7.264 -5.337 10.024 1.00 1.64 O ATOM 41 CB GLU A 4 7.747 -7.907 11.892 1.00 2.01 C ATOM 42 CG GLU A 4 8.382 -8.756 12.976 1.00 2.51 C ATOM 43 CD GLU A 4 9.734 -9.293 12.556 1.00 3.17 C ATOM 44 OE1 GLU A 4 10.694 -9.183 13.351 1.00 3.76 O ATOM 45 OE2 GLU A 4 9.851 -9.824 11.433 1.00 3.52 O ATOM 0 H GLU A 4 7.724 -5.780 13.164 1.00 1.66 H new ATOM 0 HA GLU A 4 9.635 -6.999 11.418 1.00 1.27 H new ATOM 0 HB2 GLU A 4 6.771 -7.563 12.235 1.00 2.01 H new ATOM 0 HB3 GLU A 4 7.575 -8.525 11.011 1.00 2.01 H new ATOM 0 HG2 GLU A 4 8.494 -8.162 13.883 1.00 2.51 H new ATOM 0 HG3 GLU A 4 7.721 -9.588 13.219 1.00 2.51 H new ATOM 52 N ARG A 5 8.809 -6.697 9.099 1.00 0.96 N ATOM 53 CA ARG A 5 8.500 -6.350 7.721 1.00 0.91 C ATOM 54 C ARG A 5 8.374 -7.620 6.888 1.00 0.81 C ATOM 55 O ARG A 5 8.993 -8.637 7.201 1.00 0.84 O ATOM 56 CB ARG A 5 9.603 -5.469 7.130 1.00 0.98 C ATOM 57 CG ARG A 5 9.796 -4.139 7.841 1.00 1.45 C ATOM 58 CD ARG A 5 11.000 -3.397 7.284 1.00 1.50 C ATOM 59 NE ARG A 5 12.220 -4.198 7.387 1.00 2.16 N ATOM 60 CZ ARG A 5 13.049 -4.432 6.369 1.00 2.56 C ATOM 61 NH1 ARG A 5 12.814 -3.898 5.177 1.00 2.34 N ATOM 62 NH2 ARG A 5 14.117 -5.200 6.548 1.00 3.55 N ATOM 0 H ARG A 5 9.570 -7.369 9.195 1.00 0.96 H new ATOM 0 HA ARG A 5 7.559 -5.801 7.705 1.00 0.91 H new ATOM 0 HB2 ARG A 5 10.543 -6.020 7.155 1.00 0.98 H new ATOM 0 HB3 ARG A 5 9.374 -5.276 6.082 1.00 0.98 H new ATOM 0 HG2 ARG A 5 8.901 -3.527 7.726 1.00 1.45 H new ATOM 0 HG3 ARG A 5 9.931 -4.309 8.909 1.00 1.45 H new ATOM 0 HD2 ARG A 5 10.819 -3.141 6.240 1.00 1.50 H new ATOM 0 HD3 ARG A 5 11.133 -2.460 7.824 1.00 1.50 H new ATOM 0 HE ARG A 5 12.451 -4.603 8.294 1.00 2.16 H new ATOM 0 HH11 ARG A 5 11.996 -3.305 5.036 1.00 2.34 H new ATOM 0 HH12 ARG A 5 13.451 -4.080 4.402 1.00 2.34 H new ATOM 0 HH21 ARG A 5 14.303 -5.610 7.463 1.00 3.55 H new ATOM 0 HH22 ARG A 5 14.752 -5.380 5.770 1.00 3.55 H new ATOM 76 N GLU A 6 7.566 -7.560 5.844 1.00 0.77 N ATOM 77 CA GLU A 6 7.433 -8.669 4.913 1.00 0.72 C ATOM 78 C GLU A 6 8.503 -8.554 3.834 1.00 0.62 C ATOM 79 O GLU A 6 8.714 -7.476 3.283 1.00 0.73 O ATOM 80 CB GLU A 6 6.035 -8.661 4.291 1.00 0.85 C ATOM 81 CG GLU A 6 4.926 -8.845 5.314 1.00 1.17 C ATOM 82 CD GLU A 6 3.546 -8.569 4.754 1.00 1.78 C ATOM 83 OE1 GLU A 6 2.923 -7.563 5.158 1.00 2.22 O ATOM 84 OE2 GLU A 6 3.088 -9.342 3.884 1.00 2.46 O ATOM 0 H GLU A 6 6.988 -6.750 5.618 1.00 0.77 H new ATOM 0 HA GLU A 6 7.567 -9.612 5.443 1.00 0.72 H new ATOM 0 HB2 GLU A 6 5.883 -7.718 3.765 1.00 0.85 H new ATOM 0 HB3 GLU A 6 5.970 -9.455 3.547 1.00 0.85 H new ATOM 0 HG2 GLU A 6 4.959 -9.865 5.696 1.00 1.17 H new ATOM 0 HG3 GLU A 6 5.107 -8.182 6.160 1.00 1.17 H new ATOM 91 N ASP A 7 9.185 -9.651 3.538 1.00 0.54 N ATOM 92 CA ASP A 7 10.281 -9.618 2.574 1.00 0.53 C ATOM 93 C ASP A 7 9.783 -10.031 1.196 1.00 0.46 C ATOM 94 O ASP A 7 10.210 -11.039 0.631 1.00 0.55 O ATOM 95 CB ASP A 7 11.434 -10.522 3.015 1.00 0.71 C ATOM 96 CG ASP A 7 12.710 -10.243 2.242 1.00 1.68 C ATOM 97 OD1 ASP A 7 13.042 -11.033 1.331 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.385 -9.235 2.531 1.00 2.34 O ATOM 0 H ASP A 7 9.003 -10.568 3.946 1.00 0.54 H new ATOM 0 HA ASP A 7 10.656 -8.596 2.524 1.00 0.53 H new ATOM 0 HB2 ASP A 7 11.618 -10.380 4.080 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.149 -11.565 2.877 1.00 0.71 H new ATOM 103 N GLU A 8 8.848 -9.253 0.680 1.00 0.37 N ATOM 104 CA GLU A 8 8.278 -9.482 -0.635 1.00 0.34 C ATOM 105 C GLU A 8 7.533 -8.231 -1.075 1.00 0.28 C ATOM 106 O GLU A 8 7.039 -7.479 -0.238 1.00 0.29 O ATOM 107 CB GLU A 8 7.330 -10.684 -0.588 1.00 0.42 C ATOM 108 CG GLU A 8 6.759 -11.074 -1.940 1.00 0.46 C ATOM 109 CD GLU A 8 5.883 -12.306 -1.866 1.00 0.60 C ATOM 110 OE1 GLU A 8 6.427 -13.427 -1.928 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.650 -12.162 -1.751 1.00 0.69 O ATOM 0 H GLU A 8 8.462 -8.442 1.163 1.00 0.37 H new ATOM 0 HA GLU A 8 9.070 -9.698 -1.352 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.863 -11.538 -0.170 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.508 -10.459 0.091 1.00 0.42 H new ATOM 0 HG2 GLU A 8 6.178 -10.242 -2.339 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.577 -11.255 -2.638 1.00 0.46 H new ATOM 118 N CYS A 9 7.436 -8.012 -2.376 1.00 0.27 N ATOM 119 CA CYS A 9 6.764 -6.835 -2.884 1.00 0.25 C ATOM 120 C CYS A 9 5.274 -7.080 -2.921 1.00 0.32 C ATOM 121 O CYS A 9 4.792 -7.907 -3.692 1.00 0.38 O ATOM 122 CB CYS A 9 7.236 -6.495 -4.290 1.00 0.26 C ATOM 123 SG CYS A 9 6.356 -5.106 -5.033 1.00 0.30 S ATOM 0 H CYS A 9 7.813 -8.632 -3.093 1.00 0.27 H new ATOM 0 HA CYS A 9 6.999 -6.002 -2.222 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.301 -6.265 -4.261 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.116 -7.372 -4.926 1.00 0.26 H new ATOM 128 N PHE A 10 4.552 -6.341 -2.103 1.00 0.33 N ATOM 129 CA PHE A 10 3.111 -6.503 -1.991 1.00 0.41 C ATOM 130 C PHE A 10 2.414 -6.097 -3.296 1.00 0.48 C ATOM 131 O PHE A 10 1.274 -6.478 -3.547 1.00 0.57 O ATOM 132 CB PHE A 10 2.604 -5.678 -0.800 1.00 0.41 C ATOM 133 CG PHE A 10 1.129 -5.780 -0.551 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.290 -4.709 -0.818 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.578 -6.954 -0.064 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.068 -4.809 -0.602 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.779 -7.057 0.155 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.595 -5.956 -0.066 1.00 0.59 C ATOM 0 H PHE A 10 4.941 -5.616 -1.500 1.00 0.33 H new ATOM 0 HA PHE A 10 2.874 -7.553 -1.817 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.133 -5.997 0.098 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.859 -4.631 -0.965 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.704 -3.787 -1.199 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.219 -7.798 0.146 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.717 -3.984 -0.855 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.205 -7.989 0.497 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.645 -6.003 0.184 1.00 0.59 H new ATOM 148 N SER A 11 3.115 -5.341 -4.133 1.00 0.46 N ATOM 149 CA SER A 11 2.581 -4.939 -5.428 1.00 0.54 C ATOM 150 C SER A 11 2.669 -6.076 -6.450 1.00 0.57 C ATOM 151 O SER A 11 1.731 -6.305 -7.210 1.00 0.69 O ATOM 152 CB SER A 11 3.332 -3.718 -5.959 1.00 0.54 C ATOM 153 OG SER A 11 3.327 -2.664 -5.016 1.00 0.96 O ATOM 0 H SER A 11 4.054 -4.994 -3.938 1.00 0.46 H new ATOM 0 HA SER A 11 1.530 -4.687 -5.283 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.360 -3.994 -6.194 1.00 0.54 H new ATOM 0 HB3 SER A 11 2.872 -3.381 -6.888 1.00 0.54 H new ATOM 0 HG SER A 11 3.400 -3.034 -4.111 1.00 0.96 H new ATOM 159 N CYS A 12 3.794 -6.791 -6.460 1.00 0.48 N ATOM 160 CA CYS A 12 4.066 -7.750 -7.532 1.00 0.53 C ATOM 161 C CYS A 12 3.963 -9.201 -7.063 1.00 0.55 C ATOM 162 O CYS A 12 3.651 -10.091 -7.850 1.00 0.62 O ATOM 163 CB CYS A 12 5.461 -7.509 -8.112 1.00 0.51 C ATOM 164 SG CYS A 12 5.751 -5.809 -8.650 1.00 0.49 S ATOM 0 H CYS A 12 4.523 -6.727 -5.749 1.00 0.48 H new ATOM 0 HA CYS A 12 3.304 -7.592 -8.295 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.206 -7.773 -7.361 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.611 -8.178 -8.959 1.00 0.51 H new ATOM 169 N GLY A 13 4.218 -9.435 -5.783 1.00 0.51 N ATOM 170 CA GLY A 13 4.252 -10.792 -5.273 1.00 0.55 C ATOM 171 C GLY A 13 5.627 -11.411 -5.412 1.00 0.54 C ATOM 172 O GLY A 13 5.808 -12.609 -5.189 1.00 0.61 O ATOM 0 H GLY A 13 4.402 -8.711 -5.089 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.957 -10.793 -4.224 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.524 -11.400 -5.809 1.00 0.55 H new ATOM 176 N ASP A 14 6.600 -10.587 -5.780 1.00 0.49 N ATOM 177 CA ASP A 14 7.969 -11.046 -5.970 1.00 0.49 C ATOM 178 C ASP A 14 8.902 -10.354 -4.987 1.00 0.38 C ATOM 179 O ASP A 14 8.616 -9.250 -4.525 1.00 0.32 O ATOM 180 CB ASP A 14 8.443 -10.773 -7.401 1.00 0.55 C ATOM 181 CG ASP A 14 7.668 -11.553 -8.442 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.851 -10.939 -9.158 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.875 -12.781 -8.553 1.00 0.85 O ATOM 0 H ASP A 14 6.464 -9.591 -5.954 1.00 0.49 H new ATOM 0 HA ASP A 14 7.989 -12.121 -5.791 1.00 0.49 H new ATOM 0 HB2 ASP A 14 8.351 -9.707 -7.611 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.501 -11.023 -7.481 1.00 0.55 H new ATOM 188 N ALA A 15 10.008 -11.003 -4.674 1.00 0.41 N ATOM 189 CA ALA A 15 10.987 -10.463 -3.744 1.00 0.36 C ATOM 190 C ALA A 15 12.306 -10.200 -4.457 1.00 0.40 C ATOM 191 O ALA A 15 12.584 -10.795 -5.499 1.00 0.47 O ATOM 192 CB ALA A 15 11.189 -11.415 -2.580 1.00 0.42 C ATOM 0 H ALA A 15 10.254 -11.917 -5.055 1.00 0.41 H new ATOM 0 HA ALA A 15 10.613 -9.517 -3.354 1.00 0.36 H new ATOM 0 HB1 ALA A 15 11.924 -10.998 -1.892 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.243 -11.557 -2.058 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.545 -12.375 -2.953 1.00 0.42 H new ATOM 198 N GLY A 16 13.109 -9.306 -3.902 1.00 0.40 N ATOM 199 CA GLY A 16 14.354 -8.934 -4.541 1.00 0.48 C ATOM 200 C GLY A 16 14.787 -7.530 -4.174 1.00 0.49 C ATOM 201 O GLY A 16 14.935 -7.215 -2.992 1.00 1.04 O ATOM 0 H GLY A 16 12.921 -8.831 -3.019 1.00 0.40 H new ATOM 0 HA2 GLY A 16 15.133 -9.640 -4.253 1.00 0.48 H new ATOM 0 HA3 GLY A 16 14.241 -9.007 -5.623 1.00 0.48 H new ATOM 205 N GLN A 17 14.977 -6.681 -5.178 1.00 0.52 N ATOM 206 CA GLN A 17 15.393 -5.304 -4.950 1.00 0.49 C ATOM 207 C GLN A 17 14.227 -4.486 -4.417 1.00 0.39 C ATOM 208 O GLN A 17 13.502 -3.833 -5.171 1.00 0.41 O ATOM 209 CB GLN A 17 15.943 -4.686 -6.238 1.00 0.61 C ATOM 210 CG GLN A 17 16.504 -3.286 -6.044 1.00 0.67 C ATOM 211 CD GLN A 17 17.615 -3.234 -5.011 1.00 0.93 C ATOM 212 OE1 GLN A 17 18.346 -4.205 -4.812 1.00 1.56 O ATOM 213 NE2 GLN A 17 17.748 -2.099 -4.344 1.00 1.52 N ATOM 0 H GLN A 17 14.849 -6.924 -6.160 1.00 0.52 H new ATOM 0 HA GLN A 17 16.189 -5.300 -4.206 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.726 -5.331 -6.636 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.149 -4.651 -6.984 1.00 0.61 H new ATOM 0 HG2 GLN A 17 16.883 -2.916 -6.997 1.00 0.67 H new ATOM 0 HG3 GLN A 17 15.700 -2.616 -5.739 1.00 0.67 H new ATOM 0 HE21 GLN A 17 17.122 -1.317 -4.538 1.00 1.52 H new ATOM 0 HE22 GLN A 17 18.476 -2.006 -3.636 1.00 1.52 H new ATOM 222 N LEU A 18 14.050 -4.541 -3.111 1.00 0.34 N ATOM 223 CA LEU A 18 12.929 -3.894 -2.464 1.00 0.27 C ATOM 224 C LEU A 18 13.372 -2.657 -1.690 1.00 0.31 C ATOM 225 O LEU A 18 14.442 -2.637 -1.077 1.00 0.42 O ATOM 226 CB LEU A 18 12.240 -4.882 -1.522 1.00 0.24 C ATOM 227 CG LEU A 18 11.702 -6.143 -2.194 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.444 -7.237 -1.174 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.430 -5.831 -2.950 1.00 0.17 C ATOM 0 H LEU A 18 14.676 -5.033 -2.473 1.00 0.34 H new ATOM 0 HA LEU A 18 12.229 -3.573 -3.235 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.947 -5.175 -0.746 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.415 -4.372 -1.025 1.00 0.24 H new ATOM 0 HG LEU A 18 12.456 -6.500 -2.895 1.00 0.21 H new ATOM 0 HD11 LEU A 18 11.061 -8.123 -1.680 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.374 -7.484 -0.663 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.711 -6.890 -0.446 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.057 -6.739 -3.424 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.680 -5.449 -2.258 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.635 -5.081 -3.713 1.00 0.17 H new ATOM 241 N VAL A 19 12.545 -1.629 -1.743 1.00 0.29 N ATOM 242 CA VAL A 19 12.724 -0.440 -0.935 1.00 0.32 C ATOM 243 C VAL A 19 11.645 -0.424 0.141 1.00 0.30 C ATOM 244 O VAL A 19 10.459 -0.599 -0.150 1.00 0.27 O ATOM 245 CB VAL A 19 12.678 0.858 -1.786 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.424 0.919 -2.650 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.778 2.092 -0.901 1.00 0.42 C ATOM 0 H VAL A 19 11.727 -1.597 -2.351 1.00 0.29 H new ATOM 0 HA VAL A 19 13.712 -0.469 -0.476 1.00 0.32 H new ATOM 0 HB VAL A 19 13.540 0.840 -2.453 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.427 1.841 -3.231 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.406 0.064 -3.326 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.541 0.895 -2.012 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.744 2.988 -1.521 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.945 2.104 -0.198 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.718 2.069 -0.349 1.00 0.42 H new ATOM 257 N SER A 20 12.059 -0.253 1.383 1.00 0.34 N ATOM 258 CA SER A 20 11.159 -0.419 2.505 1.00 0.33 C ATOM 259 C SER A 20 10.625 0.917 2.988 1.00 0.33 C ATOM 260 O SER A 20 11.265 1.959 2.831 1.00 0.35 O ATOM 261 CB SER A 20 11.878 -1.152 3.644 1.00 0.39 C ATOM 262 OG SER A 20 10.988 -1.502 4.691 1.00 0.47 O ATOM 0 H SER A 20 13.013 0.001 1.638 1.00 0.34 H new ATOM 0 HA SER A 20 10.308 -1.015 2.175 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.352 -2.053 3.254 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.673 -0.519 4.039 1.00 0.39 H new ATOM 0 HG SER A 20 10.449 -2.273 4.418 1.00 0.47 H new ATOM 268 N CYS A 21 9.436 0.869 3.564 1.00 0.33 N ATOM 269 CA CYS A 21 8.823 2.038 4.154 1.00 0.35 C ATOM 270 C CYS A 21 9.584 2.408 5.420 1.00 0.40 C ATOM 271 O CYS A 21 9.828 1.552 6.273 1.00 0.43 O ATOM 272 CB CYS A 21 7.360 1.738 4.479 1.00 0.37 C ATOM 273 SG CYS A 21 6.348 3.193 4.814 1.00 0.34 S ATOM 0 H CYS A 21 8.874 0.021 3.634 1.00 0.33 H new ATOM 0 HA CYS A 21 8.860 2.874 3.456 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.921 1.192 3.644 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.323 1.079 5.346 1.00 0.37 H new ATOM 278 N LYS A 22 9.959 3.673 5.549 1.00 0.52 N ATOM 279 CA LYS A 22 10.771 4.107 6.674 1.00 0.61 C ATOM 280 C LYS A 22 9.884 4.452 7.870 1.00 0.63 C ATOM 281 O LYS A 22 10.274 5.197 8.768 1.00 0.78 O ATOM 282 CB LYS A 22 11.641 5.298 6.259 1.00 0.74 C ATOM 283 CG LYS A 22 12.802 5.570 7.204 1.00 1.35 C ATOM 284 CD LYS A 22 13.802 6.546 6.604 1.00 1.65 C ATOM 285 CE LYS A 22 14.497 5.957 5.383 1.00 2.25 C ATOM 286 NZ LYS A 22 15.541 6.865 4.841 1.00 2.79 N ATOM 0 H LYS A 22 9.715 4.413 4.891 1.00 0.52 H new ATOM 0 HA LYS A 22 11.430 3.294 6.977 1.00 0.61 H new ATOM 0 HB2 LYS A 22 12.034 5.118 5.258 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.016 6.189 6.200 1.00 0.74 H new ATOM 0 HG2 LYS A 22 12.420 5.972 8.143 1.00 1.35 H new ATOM 0 HG3 LYS A 22 13.306 4.633 7.440 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.290 7.466 6.323 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.547 6.812 7.354 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.951 5.003 5.650 1.00 2.25 H new ATOM 0 HE3 LYS A 22 13.757 5.753 4.609 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 15.784 6.576 3.872 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 15.181 7.841 4.831 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 16.390 6.815 5.440 1.00 2.79 H new ATOM 300 N LYS A 23 8.688 3.887 7.877 1.00 0.60 N ATOM 301 CA LYS A 23 7.741 4.105 8.955 1.00 0.66 C ATOM 302 C LYS A 23 7.578 2.826 9.773 1.00 0.65 C ATOM 303 O LYS A 23 7.157 1.798 9.239 1.00 0.61 O ATOM 304 CB LYS A 23 6.386 4.539 8.388 1.00 0.75 C ATOM 305 CG LYS A 23 5.357 4.882 9.457 1.00 1.23 C ATOM 306 CD LYS A 23 4.042 5.344 8.849 1.00 1.50 C ATOM 307 CE LYS A 23 3.072 5.815 9.922 1.00 1.95 C ATOM 308 NZ LYS A 23 3.575 7.020 10.633 1.00 2.27 N ATOM 0 H LYS A 23 8.349 3.268 7.140 1.00 0.60 H new ATOM 0 HA LYS A 23 8.121 4.895 9.602 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.532 5.407 7.745 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.992 3.740 7.760 1.00 0.75 H new ATOM 0 HG2 LYS A 23 5.180 4.008 10.084 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.753 5.665 10.104 1.00 1.23 H new ATOM 0 HD2 LYS A 23 4.230 6.154 8.144 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.593 4.527 8.284 1.00 1.50 H new ATOM 0 HE2 LYS A 23 2.107 6.038 9.467 1.00 1.95 H new ATOM 0 HE3 LYS A 23 2.907 5.012 10.640 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 2.790 7.477 11.140 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 4.310 6.740 11.313 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 3.977 7.687 9.944 1.00 2.27 H new ATOM 322 N PRO A 24 7.919 2.862 11.071 1.00 0.77 N ATOM 323 CA PRO A 24 7.787 1.697 11.949 1.00 0.83 C ATOM 324 C PRO A 24 6.332 1.261 12.094 1.00 0.80 C ATOM 325 O PRO A 24 5.440 2.092 12.284 1.00 0.86 O ATOM 326 CB PRO A 24 8.343 2.176 13.293 1.00 1.01 C ATOM 327 CG PRO A 24 8.279 3.661 13.235 1.00 1.18 C ATOM 328 CD PRO A 24 8.455 4.032 11.786 1.00 0.93 C ATOM 0 HA PRO A 24 8.315 0.829 11.555 1.00 0.83 H new ATOM 0 HB2 PRO A 24 7.753 1.789 14.124 1.00 1.01 H new ATOM 0 HB3 PRO A 24 9.366 1.831 13.441 1.00 1.01 H new ATOM 0 HG2 PRO A 24 7.325 4.025 13.617 1.00 1.18 H new ATOM 0 HG3 PRO A 24 9.060 4.109 13.849 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.910 4.942 11.534 1.00 0.93 H new ATOM 0 HD3 PRO A 24 9.502 4.209 11.540 1.00 0.93 H new ATOM 336 N GLY A 25 6.095 -0.038 11.993 1.00 0.76 N ATOM 337 CA GLY A 25 4.740 -0.547 12.056 1.00 0.75 C ATOM 338 C GLY A 25 4.210 -0.892 10.682 1.00 0.65 C ATOM 339 O GLY A 25 3.210 -1.594 10.548 1.00 0.83 O ATOM 0 H GLY A 25 6.816 -0.749 11.869 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.713 -1.433 12.690 1.00 0.75 H new ATOM 0 HA3 GLY A 25 4.093 0.197 12.520 1.00 0.75 H new ATOM 343 N CYS A 26 4.881 -0.384 9.659 1.00 0.48 N ATOM 344 CA CYS A 26 4.537 -0.696 8.284 1.00 0.39 C ATOM 345 C CYS A 26 5.390 -1.866 7.809 1.00 0.34 C ATOM 346 O CYS A 26 6.596 -1.719 7.599 1.00 0.40 O ATOM 347 CB CYS A 26 4.774 0.526 7.401 1.00 0.44 C ATOM 348 SG CYS A 26 4.046 0.427 5.751 1.00 0.35 S ATOM 0 H CYS A 26 5.673 0.251 9.759 1.00 0.48 H new ATOM 0 HA CYS A 26 3.484 -0.970 8.221 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.373 1.404 7.907 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.848 0.679 7.299 1.00 0.44 H new ATOM 353 N PRO A 27 4.788 -3.052 7.660 1.00 0.37 N ATOM 354 CA PRO A 27 5.506 -4.251 7.258 1.00 0.45 C ATOM 355 C PRO A 27 5.548 -4.424 5.744 1.00 0.45 C ATOM 356 O PRO A 27 5.803 -5.516 5.245 1.00 0.66 O ATOM 357 CB PRO A 27 4.666 -5.355 7.899 1.00 0.57 C ATOM 358 CG PRO A 27 3.265 -4.839 7.837 1.00 0.57 C ATOM 359 CD PRO A 27 3.357 -3.328 7.885 1.00 0.44 C ATOM 0 HA PRO A 27 6.552 -4.239 7.564 1.00 0.45 H new ATOM 0 HB2 PRO A 27 4.767 -6.296 7.358 1.00 0.57 H new ATOM 0 HB3 PRO A 27 4.975 -5.543 8.927 1.00 0.57 H new ATOM 0 HG2 PRO A 27 2.771 -5.168 6.923 1.00 0.57 H new ATOM 0 HG3 PRO A 27 2.675 -5.218 8.672 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.736 -2.865 7.118 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.021 -2.938 8.846 1.00 0.44 H new ATOM 367 N LYS A 28 5.317 -3.341 5.020 1.00 0.30 N ATOM 368 CA LYS A 28 5.209 -3.415 3.571 1.00 0.30 C ATOM 369 C LYS A 28 6.468 -2.900 2.883 1.00 0.27 C ATOM 370 O LYS A 28 7.043 -1.883 3.279 1.00 0.31 O ATOM 371 CB LYS A 28 3.975 -2.644 3.083 1.00 0.32 C ATOM 372 CG LYS A 28 2.766 -3.533 2.795 1.00 0.42 C ATOM 373 CD LYS A 28 2.331 -4.328 4.018 1.00 0.52 C ATOM 374 CE LYS A 28 1.134 -5.206 3.710 1.00 0.70 C ATOM 375 NZ LYS A 28 0.745 -6.036 4.879 1.00 1.00 N ATOM 0 H LYS A 28 5.201 -2.405 5.408 1.00 0.30 H new ATOM 0 HA LYS A 28 5.096 -4.466 3.304 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.699 -1.905 3.835 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.235 -2.096 2.177 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.936 -2.915 2.452 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.008 -4.220 1.984 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.159 -4.947 4.365 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.083 -3.644 4.829 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.292 -4.581 3.411 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.366 -5.854 2.865 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.131 -6.814 4.564 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.598 -6.428 5.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.233 -5.448 5.567 1.00 1.00 H new ATOM 389 N VAL A 29 6.875 -3.616 1.844 1.00 0.23 N ATOM 390 CA VAL A 29 8.054 -3.276 1.070 1.00 0.20 C ATOM 391 C VAL A 29 7.726 -3.446 -0.417 1.00 0.18 C ATOM 392 O VAL A 29 6.871 -4.262 -0.776 1.00 0.21 O ATOM 393 CB VAL A 29 9.254 -4.166 1.476 1.00 0.22 C ATOM 394 CG1 VAL A 29 9.121 -5.569 0.926 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.570 -3.551 1.056 1.00 0.44 C ATOM 0 H VAL A 29 6.392 -4.452 1.515 1.00 0.23 H new ATOM 0 HA VAL A 29 8.337 -2.242 1.266 1.00 0.20 H new ATOM 0 HB VAL A 29 9.245 -4.231 2.564 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.982 -6.163 1.232 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.209 -6.026 1.311 1.00 0.31 H new ATOM 0 HG13 VAL A 29 9.076 -5.530 -0.162 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.389 -4.204 1.358 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.585 -3.427 -0.027 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.686 -2.578 1.534 1.00 0.44 H new ATOM 405 N TYR A 30 8.372 -2.670 -1.274 1.00 0.19 N ATOM 406 CA TYR A 30 8.028 -2.657 -2.695 1.00 0.20 C ATOM 407 C TYR A 30 9.279 -2.495 -3.542 1.00 0.20 C ATOM 408 O TYR A 30 10.341 -2.176 -3.030 1.00 0.21 O ATOM 409 CB TYR A 30 7.074 -1.499 -3.010 1.00 0.29 C ATOM 410 CG TYR A 30 5.827 -1.445 -2.155 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.769 -2.312 -2.380 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.702 -0.514 -1.129 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.625 -2.258 -1.610 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.561 -0.455 -0.354 1.00 0.57 C ATOM 415 CZ TYR A 30 3.526 -1.329 -0.598 1.00 0.60 C ATOM 416 OH TYR A 30 2.388 -1.277 0.172 1.00 0.72 O ATOM 0 H TYR A 30 9.134 -2.043 -1.016 1.00 0.19 H new ATOM 0 HA TYR A 30 7.543 -3.605 -2.927 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.616 -0.560 -2.895 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.776 -1.568 -4.056 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.841 -3.043 -3.172 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.511 0.174 -0.935 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.811 -2.941 -1.800 1.00 0.55 H new ATOM 0 HE2 TYR A 30 4.481 0.273 0.440 1.00 0.57 H new ATOM 0 HH TYR A 30 2.478 -0.567 0.842 1.00 0.72 H new ATOM 426 N HIS A 31 9.149 -2.718 -4.840 1.00 0.23 N ATOM 427 CA HIS A 31 10.241 -2.448 -5.765 1.00 0.26 C ATOM 428 C HIS A 31 10.185 -0.985 -6.164 1.00 0.32 C ATOM 429 O HIS A 31 9.105 -0.427 -6.345 1.00 0.35 O ATOM 430 CB HIS A 31 10.139 -3.297 -7.037 1.00 0.28 C ATOM 431 CG HIS A 31 10.079 -4.770 -6.817 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.008 -5.510 -7.248 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.976 -5.590 -6.232 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.270 -6.760 -6.910 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.460 -6.862 -6.293 1.00 0.28 N ATOM 0 H HIS A 31 8.303 -3.084 -5.277 1.00 0.23 H new ATOM 0 HA HIS A 31 11.177 -2.694 -5.263 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.249 -2.992 -7.587 1.00 0.28 H new ATOM 0 HB3 HIS A 31 10.997 -3.076 -7.671 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.922 -5.301 -5.798 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.612 -7.594 -7.105 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.894 -7.715 -5.940 1.00 0.28 H new ATOM 443 N ALA A 32 11.344 -0.372 -6.310 1.00 0.38 N ATOM 444 CA ALA A 32 11.413 1.011 -6.739 1.00 0.45 C ATOM 445 C ALA A 32 10.911 1.145 -8.170 1.00 0.48 C ATOM 446 O ALA A 32 10.327 2.163 -8.544 1.00 0.55 O ATOM 447 CB ALA A 32 12.836 1.532 -6.611 1.00 0.53 C ATOM 0 H ALA A 32 12.249 -0.809 -6.138 1.00 0.38 H new ATOM 0 HA ALA A 32 10.771 1.613 -6.095 1.00 0.45 H new ATOM 0 HB1 ALA A 32 12.873 2.572 -6.936 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.156 1.466 -5.571 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.500 0.933 -7.234 1.00 0.53 H new ATOM 453 N ASP A 33 11.134 0.100 -8.961 1.00 0.48 N ATOM 454 CA ASP A 33 10.718 0.084 -10.358 1.00 0.55 C ATOM 455 C ASP A 33 9.195 0.079 -10.503 1.00 0.54 C ATOM 456 O ASP A 33 8.646 0.848 -11.291 1.00 0.62 O ATOM 457 CB ASP A 33 11.341 -1.106 -11.103 1.00 0.60 C ATOM 458 CG ASP A 33 11.075 -2.443 -10.442 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.135 -3.145 -10.874 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.794 -2.793 -9.482 1.00 2.01 O ATOM 0 H ASP A 33 11.604 -0.752 -8.655 1.00 0.48 H new ATOM 0 HA ASP A 33 11.084 1.005 -10.812 1.00 0.55 H new ATOM 0 HB2 ASP A 33 10.952 -1.130 -12.121 1.00 0.60 H new ATOM 0 HB3 ASP A 33 12.418 -0.954 -11.176 1.00 0.60 H new ATOM 465 N CYS A 34 8.506 -0.762 -9.732 1.00 0.48 N ATOM 466 CA CYS A 34 7.048 -0.849 -9.831 1.00 0.52 C ATOM 467 C CYS A 34 6.386 0.365 -9.185 1.00 0.56 C ATOM 468 O CYS A 34 5.240 0.694 -9.484 1.00 0.67 O ATOM 469 CB CYS A 34 6.521 -2.150 -9.203 1.00 0.50 C ATOM 470 SG CYS A 34 7.165 -2.495 -7.551 1.00 0.44 S ATOM 0 H CYS A 34 8.925 -1.385 -9.041 1.00 0.48 H new ATOM 0 HA CYS A 34 6.790 -0.859 -10.890 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.433 -2.100 -9.153 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.772 -2.984 -9.859 1.00 0.50 H new ATOM 475 N LEU A 35 7.121 1.036 -8.307 1.00 0.52 N ATOM 476 CA LEU A 35 6.648 2.277 -7.706 1.00 0.58 C ATOM 477 C LEU A 35 6.899 3.454 -8.638 1.00 0.67 C ATOM 478 O LEU A 35 6.510 4.585 -8.342 1.00 0.74 O ATOM 479 CB LEU A 35 7.346 2.533 -6.373 1.00 0.55 C ATOM 480 CG LEU A 35 6.977 1.586 -5.236 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.894 1.829 -4.056 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.526 1.773 -4.822 1.00 0.54 C ATOM 0 H LEU A 35 8.047 0.742 -7.995 1.00 0.52 H new ATOM 0 HA LEU A 35 5.576 2.176 -7.535 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.423 2.477 -6.532 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.123 3.552 -6.058 1.00 0.55 H new ATOM 0 HG LEU A 35 7.098 0.560 -5.583 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.629 1.152 -3.244 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.927 1.651 -4.355 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.787 2.860 -3.718 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.288 1.086 -4.010 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.373 2.799 -4.487 1.00 0.54 H new ATOM 0 HD23 LEU A 35 4.876 1.568 -5.672 1.00 0.54 H new ATOM 494 N ASN A 36 7.573 3.175 -9.755 1.00 0.68 N ATOM 495 CA ASN A 36 7.885 4.183 -10.765 1.00 0.77 C ATOM 496 C ASN A 36 8.832 5.235 -10.201 1.00 0.78 C ATOM 497 O ASN A 36 8.799 6.399 -10.601 1.00 0.87 O ATOM 498 CB ASN A 36 6.608 4.849 -11.300 1.00 0.86 C ATOM 499 CG ASN A 36 5.807 3.962 -12.245 1.00 1.46 C ATOM 500 OD1 ASN A 36 5.930 2.651 -12.096 1.00 2.09 O flip ATOM 501 ND2 ASN A 36 5.081 4.458 -13.107 1.00 2.13 N flip ATOM 0 H ASN A 36 7.917 2.242 -9.983 1.00 0.68 H new ATOM 0 HA ASN A 36 8.378 3.678 -11.596 1.00 0.77 H new ATOM 0 HB2 ASN A 36 5.976 5.132 -10.458 1.00 0.86 H new ATOM 0 HB3 ASN A 36 6.878 5.768 -11.820 1.00 0.86 H new ATOM 0 HD21 ASN A 36 5.011 5.472 -13.193 1.00 2.13 H new ATOM 0 HD22 ASN A 36 4.550 3.855 -13.735 1.00 2.13 H new ATOM 508 N LEU A 37 9.680 4.812 -9.274 1.00 0.71 N ATOM 509 CA LEU A 37 10.648 5.704 -8.661 1.00 0.75 C ATOM 510 C LEU A 37 11.850 5.894 -9.574 1.00 0.83 C ATOM 511 O LEU A 37 12.815 5.128 -9.519 1.00 0.88 O ATOM 512 CB LEU A 37 11.106 5.164 -7.302 1.00 0.69 C ATOM 513 CG LEU A 37 10.052 5.183 -6.189 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.620 4.595 -4.907 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.558 6.600 -5.938 1.00 0.78 C ATOM 0 H LEU A 37 9.715 3.852 -8.930 1.00 0.71 H new ATOM 0 HA LEU A 37 10.164 6.668 -8.506 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.448 4.138 -7.436 1.00 0.69 H new ATOM 0 HB3 LEU A 37 11.967 5.746 -6.972 1.00 0.69 H new ATOM 0 HG LEU A 37 9.208 4.573 -6.512 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.858 4.617 -4.128 1.00 0.69 H new ATOM 0 HD12 LEU A 37 10.928 3.565 -5.085 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.482 5.182 -4.588 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.811 6.590 -5.144 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.396 7.230 -5.639 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.113 6.997 -6.850 1.00 0.78 H new ATOM 527 N THR A 38 11.787 6.905 -10.426 1.00 0.91 N ATOM 528 CA THR A 38 12.902 7.234 -11.294 1.00 1.03 C ATOM 529 C THR A 38 13.973 8.005 -10.526 1.00 1.04 C ATOM 530 O THR A 38 15.086 8.209 -11.015 1.00 1.14 O ATOM 531 CB THR A 38 12.436 8.043 -12.520 1.00 1.16 C ATOM 532 OG1 THR A 38 11.389 8.949 -12.143 1.00 1.43 O ATOM 533 CG2 THR A 38 11.944 7.122 -13.627 1.00 1.59 C ATOM 0 H THR A 38 10.974 7.511 -10.534 1.00 0.91 H new ATOM 0 HA THR A 38 13.333 6.298 -11.650 1.00 1.03 H new ATOM 0 HB THR A 38 13.288 8.609 -12.896 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.100 9.460 -12.928 1.00 1.43 H new ATOM 0 HG21 THR A 38 11.621 7.719 -14.480 1.00 1.59 H new ATOM 0 HG22 THR A 38 12.752 6.458 -13.934 1.00 1.59 H new ATOM 0 HG23 THR A 38 11.106 6.529 -13.261 1.00 1.59 H new ATOM 541 N LYS A 39 13.630 8.418 -9.310 1.00 0.99 N ATOM 542 CA LYS A 39 14.576 9.074 -8.420 1.00 1.02 C ATOM 543 C LYS A 39 14.572 8.385 -7.062 1.00 0.94 C ATOM 544 O LYS A 39 13.524 7.945 -6.586 1.00 0.96 O ATOM 545 CB LYS A 39 14.225 10.556 -8.253 1.00 1.12 C ATOM 546 CG LYS A 39 14.308 11.359 -9.543 1.00 1.57 C ATOM 547 CD LYS A 39 13.884 12.804 -9.330 1.00 1.98 C ATOM 548 CE LYS A 39 14.770 13.515 -8.320 1.00 2.58 C ATOM 549 NZ LYS A 39 14.302 14.896 -8.058 1.00 3.17 N ATOM 0 H LYS A 39 12.695 8.308 -8.918 1.00 0.99 H new ATOM 0 HA LYS A 39 15.571 9.002 -8.859 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.215 10.637 -7.851 1.00 1.12 H new ATOM 0 HB3 LYS A 39 14.897 10.998 -7.518 1.00 1.12 H new ATOM 0 HG2 LYS A 39 15.329 11.331 -9.925 1.00 1.57 H new ATOM 0 HG3 LYS A 39 13.672 10.900 -10.300 1.00 1.57 H new ATOM 0 HD2 LYS A 39 13.919 13.336 -10.281 1.00 1.98 H new ATOM 0 HD3 LYS A 39 12.850 12.831 -8.987 1.00 1.98 H new ATOM 0 HE2 LYS A 39 14.783 12.952 -7.387 1.00 2.58 H new ATOM 0 HE3 LYS A 39 15.795 13.542 -8.690 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 14.930 15.350 -7.365 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 14.314 15.440 -8.944 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 13.333 14.869 -7.681 1.00 3.17 H new ATOM 563 N ARG A 40 15.739 8.290 -6.444 1.00 0.97 N ATOM 564 CA ARG A 40 15.865 7.636 -5.150 1.00 0.95 C ATOM 565 C ARG A 40 15.572 8.614 -4.016 1.00 0.91 C ATOM 566 O ARG A 40 16.244 9.638 -3.880 1.00 1.01 O ATOM 567 CB ARG A 40 17.260 7.033 -4.993 1.00 1.10 C ATOM 568 CG ARG A 40 17.472 5.793 -5.843 1.00 1.80 C ATOM 569 CD ARG A 40 18.910 5.311 -5.786 1.00 1.93 C ATOM 570 NE ARG A 40 19.083 4.034 -6.476 1.00 2.49 N ATOM 571 CZ ARG A 40 19.824 3.863 -7.569 1.00 2.88 C ATOM 572 NH1 ARG A 40 20.436 4.898 -8.135 1.00 2.66 N ATOM 573 NH2 ARG A 40 19.943 2.654 -8.099 1.00 3.84 N ATOM 0 H ARG A 40 16.614 8.658 -6.818 1.00 0.97 H new ATOM 0 HA ARG A 40 15.131 6.831 -5.100 1.00 0.95 H new ATOM 0 HB2 ARG A 40 18.005 7.782 -5.261 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.424 6.781 -3.945 1.00 1.10 H new ATOM 0 HG2 ARG A 40 16.808 4.999 -5.500 1.00 1.80 H new ATOM 0 HG3 ARG A 40 17.202 6.010 -6.876 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.562 6.059 -6.237 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.217 5.206 -4.745 1.00 1.93 H new ATOM 0 HE ARG A 40 18.604 3.219 -6.094 1.00 2.49 H new ATOM 0 HH11 ARG A 40 20.340 5.830 -7.732 1.00 2.66 H new ATOM 0 HH12 ARG A 40 21.002 4.760 -8.972 1.00 2.66 H new ATOM 0 HH21 ARG A 40 19.468 1.860 -7.670 1.00 3.84 H new ATOM 0 HH22 ARG A 40 20.509 2.518 -8.936 1.00 3.84 H new ATOM 587 N PRO A 41 14.554 8.307 -3.191 1.00 0.85 N ATOM 588 CA PRO A 41 14.104 9.193 -2.112 1.00 0.87 C ATOM 589 C PRO A 41 15.137 9.358 -1.001 1.00 0.96 C ATOM 590 O PRO A 41 15.903 8.436 -0.701 1.00 1.05 O ATOM 591 CB PRO A 41 12.850 8.498 -1.573 1.00 0.88 C ATOM 592 CG PRO A 41 13.022 7.066 -1.937 1.00 0.96 C ATOM 593 CD PRO A 41 13.754 7.070 -3.252 1.00 0.86 C ATOM 0 HA PRO A 41 13.928 10.204 -2.479 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.761 8.624 -0.494 1.00 0.88 H new ATOM 0 HB3 PRO A 41 11.946 8.913 -2.018 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.589 6.533 -1.174 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.058 6.565 -2.026 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.385 6.188 -3.364 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.065 7.078 -4.096 1.00 0.86 H new ATOM 601 N ALA A 42 15.146 10.536 -0.395 1.00 1.05 N ATOM 602 CA ALA A 42 16.048 10.840 0.703 1.00 1.18 C ATOM 603 C ALA A 42 15.253 11.358 1.897 1.00 1.15 C ATOM 604 O ALA A 42 14.232 12.025 1.721 1.00 1.21 O ATOM 605 CB ALA A 42 17.082 11.864 0.262 1.00 1.41 C ATOM 0 H ALA A 42 14.529 11.306 -0.651 1.00 1.05 H new ATOM 0 HA ALA A 42 16.571 9.931 1.000 1.00 1.18 H new ATOM 0 HB1 ALA A 42 17.753 12.085 1.092 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.657 11.464 -0.573 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.578 12.779 -0.050 1.00 1.41 H new ATOM 611 N GLY A 43 15.709 11.049 3.103 1.00 1.17 N ATOM 612 CA GLY A 43 14.993 11.471 4.290 1.00 1.18 C ATOM 613 C GLY A 43 13.927 10.473 4.682 1.00 1.04 C ATOM 614 O GLY A 43 14.137 9.260 4.570 1.00 1.12 O ATOM 0 H GLY A 43 16.560 10.515 3.280 1.00 1.17 H new ATOM 0 HA2 GLY A 43 15.696 11.596 5.114 1.00 1.18 H new ATOM 0 HA3 GLY A 43 14.534 12.443 4.112 1.00 1.18 H new ATOM 618 N LYS A 44 12.783 10.968 5.128 1.00 1.00 N ATOM 619 CA LYS A 44 11.679 10.098 5.497 1.00 0.92 C ATOM 620 C LYS A 44 10.817 9.811 4.282 1.00 0.80 C ATOM 621 O LYS A 44 10.249 10.726 3.683 1.00 0.84 O ATOM 622 CB LYS A 44 10.812 10.725 6.587 1.00 1.04 C ATOM 623 CG LYS A 44 11.561 11.089 7.856 1.00 1.53 C ATOM 624 CD LYS A 44 10.601 11.372 9.002 1.00 1.94 C ATOM 625 CE LYS A 44 9.577 12.437 8.636 1.00 2.69 C ATOM 626 NZ LYS A 44 8.611 12.681 9.740 1.00 3.46 N ATOM 0 H LYS A 44 12.596 11.964 5.243 1.00 1.00 H new ATOM 0 HA LYS A 44 12.104 9.171 5.883 1.00 0.92 H new ATOM 0 HB2 LYS A 44 10.342 11.624 6.187 1.00 1.04 H new ATOM 0 HB3 LYS A 44 10.010 10.031 6.840 1.00 1.04 H new ATOM 0 HG2 LYS A 44 12.230 10.274 8.132 1.00 1.53 H new ATOM 0 HG3 LYS A 44 12.183 11.965 7.675 1.00 1.53 H new ATOM 0 HD2 LYS A 44 10.085 10.453 9.279 1.00 1.94 H new ATOM 0 HD3 LYS A 44 11.165 11.696 9.876 1.00 1.94 H new ATOM 0 HE2 LYS A 44 10.091 13.366 8.392 1.00 2.69 H new ATOM 0 HE3 LYS A 44 9.036 12.128 7.742 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 7.931 13.413 9.451 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 8.101 11.801 9.956 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 9.124 13.001 10.586 1.00 3.46 H new ATOM 640 N TRP A 45 10.735 8.551 3.906 1.00 0.72 N ATOM 641 CA TRP A 45 9.887 8.154 2.806 1.00 0.62 C ATOM 642 C TRP A 45 8.739 7.290 3.310 1.00 0.53 C ATOM 643 O TRP A 45 8.954 6.202 3.856 1.00 0.53 O ATOM 644 CB TRP A 45 10.693 7.402 1.746 1.00 0.62 C ATOM 645 CG TRP A 45 9.866 6.976 0.571 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.415 7.771 -0.440 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.390 5.656 0.289 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.684 7.031 -1.333 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.653 5.728 -0.908 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.512 4.422 0.934 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.043 4.612 -1.472 1.00 0.43 C ATOM 652 CZ3 TRP A 45 8.907 3.315 0.371 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.180 3.416 -0.820 1.00 0.42 C ATOM 0 H TRP A 45 11.246 7.786 4.347 1.00 0.72 H new ATOM 0 HA TRP A 45 9.474 9.053 2.348 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.507 8.038 1.398 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.148 6.522 2.201 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.606 8.831 -0.525 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.236 7.391 -2.176 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.069 4.336 1.855 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.481 4.687 -2.391 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 8.997 2.355 0.858 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.717 2.532 -1.234 1.00 0.42 H new ATOM 664 N GLU A 46 7.525 7.791 3.149 1.00 0.51 N ATOM 665 CA GLU A 46 6.336 7.031 3.485 1.00 0.48 C ATOM 666 C GLU A 46 5.792 6.369 2.228 1.00 0.39 C ATOM 667 O GLU A 46 5.684 7.013 1.183 1.00 0.42 O ATOM 668 CB GLU A 46 5.255 7.928 4.102 1.00 0.60 C ATOM 669 CG GLU A 46 5.598 8.475 5.483 1.00 1.17 C ATOM 670 CD GLU A 46 6.591 9.619 5.445 1.00 1.33 C ATOM 671 OE1 GLU A 46 7.778 9.396 5.749 1.00 1.73 O ATOM 672 OE2 GLU A 46 6.185 10.753 5.110 1.00 1.82 O ATOM 0 H GLU A 46 7.339 8.726 2.786 1.00 0.51 H new ATOM 0 HA GLU A 46 6.608 6.275 4.221 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.069 8.765 3.430 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.326 7.361 4.170 1.00 0.60 H new ATOM 0 HG2 GLU A 46 4.683 8.813 5.970 1.00 1.17 H new ATOM 0 HG3 GLU A 46 6.005 7.670 6.094 1.00 1.17 H new ATOM 679 N CYS A 47 5.472 5.083 2.320 1.00 0.32 N ATOM 680 CA CYS A 47 4.923 4.359 1.182 1.00 0.28 C ATOM 681 C CYS A 47 3.586 4.978 0.771 1.00 0.26 C ATOM 682 O CYS A 47 2.836 5.468 1.618 1.00 0.27 O ATOM 683 CB CYS A 47 4.742 2.867 1.514 1.00 0.28 C ATOM 684 SG CYS A 47 3.388 2.496 2.659 1.00 0.26 S ATOM 0 H CYS A 47 5.583 4.524 3.166 1.00 0.32 H new ATOM 0 HA CYS A 47 5.624 4.436 0.351 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.572 2.322 0.586 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.672 2.490 1.940 1.00 0.28 H new ATOM 689 N PRO A 48 3.274 4.968 -0.542 1.00 0.27 N ATOM 690 CA PRO A 48 2.023 5.537 -1.074 1.00 0.29 C ATOM 691 C PRO A 48 0.782 4.834 -0.525 1.00 0.27 C ATOM 692 O PRO A 48 -0.344 5.264 -0.761 1.00 0.30 O ATOM 693 CB PRO A 48 2.138 5.317 -2.590 1.00 0.35 C ATOM 694 CG PRO A 48 3.156 4.241 -2.750 1.00 0.34 C ATOM 695 CD PRO A 48 4.123 4.419 -1.614 1.00 0.29 C ATOM 0 HA PRO A 48 1.905 6.583 -0.792 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.181 5.021 -3.019 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.447 6.230 -3.099 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.692 3.255 -2.717 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.663 4.322 -3.711 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.582 3.474 -1.322 1.00 0.29 H new ATOM 0 HD3 PRO A 48 4.933 5.099 -1.876 1.00 0.29 H new ATOM 703 N TRP A 49 1.012 3.772 0.235 1.00 0.24 N ATOM 704 CA TRP A 49 -0.055 2.997 0.855 1.00 0.23 C ATOM 705 C TRP A 49 -0.570 3.715 2.106 1.00 0.23 C ATOM 706 O TRP A 49 -1.470 3.236 2.793 1.00 0.27 O ATOM 707 CB TRP A 49 0.482 1.603 1.205 1.00 0.22 C ATOM 708 CG TRP A 49 -0.568 0.566 1.464 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.639 0.264 0.675 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.628 -0.327 2.580 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.356 -0.770 1.228 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.758 -1.145 2.401 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.168 -0.513 3.715 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -2.113 -2.135 3.313 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.186 -1.493 4.620 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.318 -2.294 4.414 1.00 0.32 C ATOM 0 H TRP A 49 1.948 3.422 0.440 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.890 2.894 0.162 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.117 1.259 0.388 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.115 1.685 2.088 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.887 0.764 -0.249 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.196 -1.189 0.830 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.043 0.098 3.880 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.984 -2.754 3.157 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.419 -1.645 5.502 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.567 -3.053 5.141 1.00 0.32 H new ATOM 727 N HIS A 50 0.030 4.864 2.412 1.00 0.23 N ATOM 728 CA HIS A 50 -0.456 5.715 3.492 1.00 0.24 C ATOM 729 C HIS A 50 -1.136 6.953 2.926 1.00 0.25 C ATOM 730 O HIS A 50 -1.623 7.802 3.669 1.00 0.29 O ATOM 731 CB HIS A 50 0.681 6.165 4.412 1.00 0.27 C ATOM 732 CG HIS A 50 1.478 5.054 5.020 1.00 0.28 C ATOM 733 ND1 HIS A 50 0.981 3.800 5.307 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.774 5.040 5.405 1.00 0.30 C ATOM 735 CE1 HIS A 50 1.977 3.081 5.846 1.00 0.35 C ATOM 736 NE2 HIS A 50 3.087 3.791 5.927 1.00 0.34 N ATOM 0 H HIS A 50 0.852 5.225 1.927 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.167 5.123 4.069 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.355 6.808 3.845 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.261 6.772 5.214 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.459 5.870 5.320 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.883 2.055 6.171 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.988 3.486 6.296 1.00 0.34 H new ATOM 744 N GLN A 51 -1.160 7.063 1.608 1.00 0.25 N ATOM 745 CA GLN A 51 -1.706 8.246 0.959 1.00 0.28 C ATOM 746 C GLN A 51 -2.869 7.876 0.058 1.00 0.24 C ATOM 747 O GLN A 51 -2.841 6.859 -0.634 1.00 0.26 O ATOM 748 CB GLN A 51 -0.624 8.974 0.157 1.00 0.38 C ATOM 749 CG GLN A 51 0.528 9.474 1.013 1.00 0.48 C ATOM 750 CD GLN A 51 0.131 10.616 1.940 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.218 11.785 1.567 1.00 0.83 O ATOM 752 NE2 GLN A 51 -0.309 10.296 3.152 1.00 0.86 N ATOM 0 H GLN A 51 -0.809 6.351 0.967 1.00 0.25 H new ATOM 0 HA GLN A 51 -2.070 8.918 1.736 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.234 8.301 -0.607 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -1.074 9.820 -0.363 1.00 0.38 H new ATOM 0 HG2 GLN A 51 0.915 8.648 1.609 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.338 9.806 0.364 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.369 9.317 3.431 1.00 0.86 H new ATOM 0 HE22 GLN A 51 -0.587 11.030 3.804 1.00 0.86 H new ATOM 761 N CYS A 52 -3.899 8.702 0.087 1.00 0.23 N ATOM 762 CA CYS A 52 -5.079 8.483 -0.723 1.00 0.21 C ATOM 763 C CYS A 52 -4.740 8.652 -2.192 1.00 0.26 C ATOM 764 O CYS A 52 -4.359 9.738 -2.621 1.00 0.31 O ATOM 765 CB CYS A 52 -6.171 9.470 -0.325 1.00 0.22 C ATOM 766 SG CYS A 52 -7.714 9.319 -1.258 1.00 0.23 S ATOM 0 H CYS A 52 -3.940 9.538 0.670 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.439 7.467 -0.558 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.390 9.339 0.735 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.787 10.483 -0.448 1.00 0.22 H new ATOM 771 N ASP A 53 -4.896 7.580 -2.952 1.00 0.28 N ATOM 772 CA ASP A 53 -4.556 7.584 -4.373 1.00 0.35 C ATOM 773 C ASP A 53 -5.386 8.613 -5.133 1.00 0.36 C ATOM 774 O ASP A 53 -4.980 9.097 -6.188 1.00 0.42 O ATOM 775 CB ASP A 53 -4.774 6.193 -4.980 1.00 0.39 C ATOM 776 CG ASP A 53 -4.280 6.098 -6.410 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.088 6.287 -7.345 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.077 5.823 -6.608 1.00 0.64 O ATOM 0 H ASP A 53 -5.258 6.690 -2.610 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.504 7.853 -4.463 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.259 5.450 -4.371 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -5.836 5.949 -4.949 1.00 0.39 H new ATOM 783 N VAL A 54 -6.537 8.968 -4.575 1.00 0.33 N ATOM 784 CA VAL A 54 -7.453 9.875 -5.245 1.00 0.36 C ATOM 785 C VAL A 54 -7.028 11.331 -5.077 1.00 0.37 C ATOM 786 O VAL A 54 -6.915 12.063 -6.058 1.00 0.44 O ATOM 787 CB VAL A 54 -8.898 9.702 -4.731 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.835 10.665 -5.432 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.375 8.273 -4.930 1.00 0.33 C ATOM 0 H VAL A 54 -6.855 8.641 -3.663 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.421 9.620 -6.304 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.903 9.924 -3.664 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.848 10.526 -5.055 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.514 11.689 -5.241 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.818 10.473 -6.505 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.396 8.175 -4.560 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.348 8.025 -5.991 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.724 7.592 -4.382 1.00 0.33 H new ATOM 799 N CYS A 55 -6.771 11.756 -3.845 1.00 0.34 N ATOM 800 CA CYS A 55 -6.520 13.173 -3.600 1.00 0.36 C ATOM 801 C CYS A 55 -5.101 13.461 -3.106 1.00 0.35 C ATOM 802 O CYS A 55 -4.640 14.600 -3.183 1.00 0.41 O ATOM 803 CB CYS A 55 -7.551 13.731 -2.619 1.00 0.37 C ATOM 804 SG CYS A 55 -7.512 12.996 -0.964 1.00 0.32 S ATOM 0 H CYS A 55 -6.731 11.159 -3.019 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.618 13.677 -4.562 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.397 14.806 -2.526 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.546 13.587 -3.040 1.00 0.37 H new ATOM 809 N GLY A 56 -4.406 12.446 -2.606 1.00 0.33 N ATOM 810 CA GLY A 56 -3.058 12.655 -2.105 1.00 0.36 C ATOM 811 C GLY A 56 -3.027 13.022 -0.633 1.00 0.38 C ATOM 812 O GLY A 56 -1.964 13.311 -0.084 1.00 0.49 O ATOM 0 H GLY A 56 -4.748 11.487 -2.538 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.473 11.749 -2.261 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.580 13.446 -2.682 1.00 0.36 H new ATOM 816 N LYS A 57 -4.190 13.025 0.006 1.00 0.35 N ATOM 817 CA LYS A 57 -4.272 13.307 1.435 1.00 0.39 C ATOM 818 C LYS A 57 -3.991 12.050 2.250 1.00 0.33 C ATOM 819 O LYS A 57 -3.886 10.953 1.696 1.00 0.33 O ATOM 820 CB LYS A 57 -5.650 13.861 1.801 1.00 0.48 C ATOM 821 CG LYS A 57 -5.944 15.227 1.204 1.00 0.65 C ATOM 822 CD LYS A 57 -7.342 15.694 1.575 1.00 0.78 C ATOM 823 CE LYS A 57 -7.672 17.042 0.955 1.00 1.16 C ATOM 824 NZ LYS A 57 -9.080 17.441 1.223 1.00 1.91 N ATOM 0 H LYS A 57 -5.088 12.836 -0.440 1.00 0.35 H new ATOM 0 HA LYS A 57 -3.517 14.057 1.670 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -6.413 13.158 1.468 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -5.728 13.925 2.886 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -5.209 15.949 1.560 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.848 15.182 0.119 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -8.071 14.954 1.245 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -7.426 15.763 2.660 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.997 17.800 1.352 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -7.505 16.998 -0.121 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -9.462 17.943 0.396 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -9.652 16.592 1.408 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -9.111 18.067 2.053 1.00 1.91 H new ATOM 838 N GLU A 58 -3.881 12.220 3.564 1.00 0.35 N ATOM 839 CA GLU A 58 -3.617 11.117 4.478 1.00 0.37 C ATOM 840 C GLU A 58 -4.692 10.040 4.344 1.00 0.30 C ATOM 841 O GLU A 58 -5.889 10.326 4.424 1.00 0.36 O ATOM 842 CB GLU A 58 -3.573 11.641 5.916 1.00 0.51 C ATOM 843 CG GLU A 58 -3.091 10.619 6.934 1.00 0.88 C ATOM 844 CD GLU A 58 -1.627 10.272 6.769 1.00 1.30 C ATOM 845 OE1 GLU A 58 -0.773 11.080 7.177 1.00 1.50 O ATOM 846 OE2 GLU A 58 -1.323 9.191 6.216 1.00 2.03 O ATOM 0 H GLU A 58 -3.972 13.126 4.024 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.654 10.673 4.226 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.919 12.512 5.954 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.570 11.978 6.199 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.256 11.008 7.939 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -3.687 9.711 6.841 1.00 0.88 H new ATOM 853 N ALA A 59 -4.262 8.809 4.126 1.00 0.26 N ATOM 854 CA ALA A 59 -5.185 7.701 3.958 1.00 0.21 C ATOM 855 C ALA A 59 -5.594 7.128 5.303 1.00 0.23 C ATOM 856 O ALA A 59 -4.781 7.024 6.223 1.00 0.30 O ATOM 857 CB ALA A 59 -4.568 6.619 3.095 1.00 0.22 C ATOM 0 H ALA A 59 -3.277 8.552 4.061 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.077 8.080 3.459 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.275 5.797 2.981 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.327 7.029 2.114 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.658 6.251 3.568 1.00 0.22 H new ATOM 863 N ALA A 60 -6.861 6.757 5.408 1.00 0.20 N ATOM 864 CA ALA A 60 -7.397 6.201 6.636 1.00 0.23 C ATOM 865 C ALA A 60 -7.622 4.705 6.492 1.00 0.23 C ATOM 866 O ALA A 60 -7.340 3.929 7.407 1.00 0.30 O ATOM 867 CB ALA A 60 -8.691 6.906 7.014 1.00 0.27 C ATOM 0 H ALA A 60 -7.540 6.833 4.650 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.672 6.360 7.434 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.082 6.479 7.937 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.497 7.969 7.160 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.422 6.777 6.216 1.00 0.27 H new ATOM 873 N SER A 61 -8.118 4.303 5.333 1.00 0.21 N ATOM 874 CA SER A 61 -8.358 2.903 5.057 1.00 0.23 C ATOM 875 C SER A 61 -7.463 2.442 3.914 1.00 0.20 C ATOM 876 O SER A 61 -7.263 3.170 2.936 1.00 0.30 O ATOM 877 CB SER A 61 -9.833 2.683 4.728 1.00 0.30 C ATOM 878 OG SER A 61 -10.248 3.520 3.662 1.00 0.35 O ATOM 0 H SER A 61 -8.362 4.932 4.568 1.00 0.21 H new ATOM 0 HA SER A 61 -8.116 2.310 5.939 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.997 1.639 4.460 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.440 2.885 5.611 1.00 0.30 H new ATOM 0 HG SER A 61 -9.832 3.218 2.828 1.00 0.35 H new ATOM 884 N PHE A 62 -6.929 1.239 4.038 1.00 0.21 N ATOM 885 CA PHE A 62 -5.917 0.753 3.112 1.00 0.20 C ATOM 886 C PHE A 62 -6.393 -0.528 2.433 1.00 0.19 C ATOM 887 O PHE A 62 -6.871 -1.442 3.106 1.00 0.22 O ATOM 888 CB PHE A 62 -4.616 0.476 3.881 1.00 0.26 C ATOM 889 CG PHE A 62 -4.349 1.467 4.985 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.483 1.088 6.313 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.986 2.772 4.701 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.259 1.994 7.333 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.760 3.681 5.717 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.898 3.291 7.034 1.00 0.47 C ATOM 0 H PHE A 62 -7.180 0.578 4.773 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.740 1.510 2.348 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.661 -0.527 4.306 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.780 0.489 3.182 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.766 0.074 6.553 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.878 3.084 3.673 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.367 1.686 8.363 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.476 4.696 5.481 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.723 4.001 7.829 1.00 0.47 H new ATOM 904 N CYS A 63 -6.290 -0.590 1.105 1.00 0.18 N ATOM 905 CA CYS A 63 -6.619 -1.816 0.391 1.00 0.18 C ATOM 906 C CYS A 63 -5.605 -2.892 0.745 1.00 0.19 C ATOM 907 O CYS A 63 -4.405 -2.708 0.561 1.00 0.22 O ATOM 908 CB CYS A 63 -6.644 -1.607 -1.128 1.00 0.20 C ATOM 909 SG CYS A 63 -7.273 -3.041 -2.029 1.00 0.23 S ATOM 0 H CYS A 63 -5.986 0.183 0.513 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.619 -2.124 0.696 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.262 -0.740 -1.360 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.636 -1.381 -1.475 1.00 0.20 H new ATOM 914 N GLU A 64 -6.091 -4.014 1.244 1.00 0.19 N ATOM 915 CA GLU A 64 -5.219 -5.087 1.696 1.00 0.23 C ATOM 916 C GLU A 64 -4.867 -6.023 0.543 1.00 0.25 C ATOM 917 O GLU A 64 -4.465 -7.165 0.761 1.00 0.29 O ATOM 918 CB GLU A 64 -5.884 -5.872 2.830 1.00 0.24 C ATOM 919 CG GLU A 64 -6.246 -5.011 4.033 1.00 0.24 C ATOM 920 CD GLU A 64 -6.818 -5.817 5.178 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.030 -6.370 5.975 1.00 0.42 O ATOM 922 OE2 GLU A 64 -8.058 -5.912 5.278 1.00 0.32 O ATOM 0 H GLU A 64 -7.087 -4.208 1.347 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.297 -4.641 2.070 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.787 -6.350 2.450 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.213 -6.669 3.152 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.357 -4.481 4.376 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.970 -4.255 3.729 1.00 0.24 H new ATOM 929 N MET A 65 -5.035 -5.537 -0.683 1.00 0.27 N ATOM 930 CA MET A 65 -4.675 -6.314 -1.865 1.00 0.32 C ATOM 931 C MET A 65 -3.756 -5.533 -2.804 1.00 0.35 C ATOM 932 O MET A 65 -3.230 -6.097 -3.762 1.00 0.44 O ATOM 933 CB MET A 65 -5.922 -6.749 -2.631 1.00 0.34 C ATOM 934 CG MET A 65 -6.828 -7.692 -1.854 1.00 0.36 C ATOM 935 SD MET A 65 -8.284 -8.196 -2.794 1.00 0.70 S ATOM 936 CE MET A 65 -7.522 -9.033 -4.186 1.00 1.54 C ATOM 0 H MET A 65 -5.417 -4.613 -0.884 1.00 0.27 H new ATOM 0 HA MET A 65 -4.139 -7.194 -1.510 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.492 -5.863 -2.911 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.616 -7.236 -3.557 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.262 -8.578 -1.567 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.147 -7.205 -0.932 1.00 0.36 H new ATOM 0 HE1 MET A 65 -8.256 -9.679 -4.668 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.163 -8.294 -4.903 1.00 1.54 H new ATOM 0 HE3 MET A 65 -6.684 -9.635 -3.834 1.00 1.54 H new ATOM 946 N CYS A 66 -3.558 -4.242 -2.535 1.00 0.32 N ATOM 947 CA CYS A 66 -2.720 -3.413 -3.393 1.00 0.34 C ATOM 948 C CYS A 66 -2.364 -2.113 -2.672 1.00 0.33 C ATOM 949 O CYS A 66 -2.994 -1.771 -1.673 1.00 0.32 O ATOM 950 CB CYS A 66 -3.454 -3.104 -4.701 1.00 0.35 C ATOM 951 SG CYS A 66 -4.750 -1.858 -4.539 1.00 0.32 S ATOM 0 H CYS A 66 -3.964 -3.754 -1.737 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.802 -3.954 -3.623 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -2.729 -2.765 -5.441 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -3.895 -4.024 -5.084 1.00 0.35 H new ATOM 956 N PRO A 67 -1.356 -1.363 -3.171 1.00 0.35 N ATOM 957 CA PRO A 67 -0.892 -0.122 -2.534 1.00 0.37 C ATOM 958 C PRO A 67 -1.874 1.044 -2.679 1.00 0.37 C ATOM 959 O PRO A 67 -1.537 2.183 -2.356 1.00 0.46 O ATOM 960 CB PRO A 67 0.419 0.210 -3.274 1.00 0.41 C ATOM 961 CG PRO A 67 0.748 -1.009 -4.068 1.00 0.42 C ATOM 962 CD PRO A 67 -0.568 -1.663 -4.378 1.00 0.38 C ATOM 0 HA PRO A 67 -0.778 -0.263 -1.459 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.295 1.078 -3.921 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.217 0.448 -2.571 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.280 -0.748 -4.983 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.395 -1.680 -3.504 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.026 -1.250 -5.277 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.462 -2.736 -4.539 1.00 0.38 H new ATOM 970 N SER A 68 -3.078 0.769 -3.166 1.00 0.33 N ATOM 971 CA SER A 68 -4.086 1.806 -3.328 1.00 0.33 C ATOM 972 C SER A 68 -4.845 2.027 -2.022 1.00 0.27 C ATOM 973 O SER A 68 -5.678 1.212 -1.622 1.00 0.40 O ATOM 974 CB SER A 68 -5.060 1.437 -4.447 1.00 0.37 C ATOM 975 OG SER A 68 -4.365 1.157 -5.653 1.00 0.46 O ATOM 0 H SER A 68 -3.378 -0.162 -3.455 1.00 0.33 H new ATOM 0 HA SER A 68 -3.580 2.733 -3.597 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.647 0.568 -4.151 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.761 2.256 -4.609 1.00 0.37 H new ATOM 0 HG SER A 68 -4.238 0.189 -5.740 1.00 0.46 H new ATOM 981 N SER A 69 -4.540 3.125 -1.357 1.00 0.21 N ATOM 982 CA SER A 69 -5.201 3.479 -0.115 1.00 0.17 C ATOM 983 C SER A 69 -6.054 4.727 -0.315 1.00 0.16 C ATOM 984 O SER A 69 -5.836 5.487 -1.262 1.00 0.18 O ATOM 985 CB SER A 69 -4.152 3.699 0.971 1.00 0.24 C ATOM 986 OG SER A 69 -3.062 4.453 0.470 1.00 0.38 O ATOM 0 H SER A 69 -3.831 3.793 -1.660 1.00 0.21 H new ATOM 0 HA SER A 69 -5.860 2.668 0.196 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.601 4.218 1.817 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.796 2.737 1.340 1.00 0.24 H new ATOM 0 HG SER A 69 -3.387 5.315 0.135 1.00 0.38 H new ATOM 992 N PHE A 70 -7.022 4.946 0.567 1.00 0.15 N ATOM 993 CA PHE A 70 -7.963 6.045 0.394 1.00 0.15 C ATOM 994 C PHE A 70 -8.173 6.799 1.702 1.00 0.16 C ATOM 995 O PHE A 70 -8.030 6.237 2.792 1.00 0.18 O ATOM 996 CB PHE A 70 -9.305 5.518 -0.118 1.00 0.16 C ATOM 997 CG PHE A 70 -9.201 4.733 -1.394 1.00 0.18 C ATOM 998 CD1 PHE A 70 -8.996 5.379 -2.600 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.310 3.352 -1.388 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.904 4.665 -3.779 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.218 2.630 -2.562 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.001 3.273 -3.750 1.00 0.25 C ATOM 0 H PHE A 70 -7.175 4.382 1.403 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.542 6.734 -0.338 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.754 4.888 0.650 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.980 6.360 -0.274 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.907 6.455 -2.620 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.469 2.834 -0.454 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.758 5.180 -4.717 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.318 1.555 -2.542 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.905 2.705 -4.663 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.507 8.076 1.581 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.771 8.915 2.741 1.00 0.22 C ATOM 1014 C CYS A 71 -10.187 8.675 3.252 1.00 0.23 C ATOM 1015 O CYS A 71 -10.916 7.855 2.693 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.584 10.393 2.382 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.837 11.039 1.247 1.00 0.26 S ATOM 0 H CYS A 71 -8.602 8.556 0.686 1.00 0.18 H new ATOM 0 HA CYS A 71 -8.064 8.654 3.528 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.599 10.984 3.298 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.599 10.526 1.934 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.583 9.391 4.291 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.917 9.233 4.858 1.00 0.33 C ATOM 1024 C LYS A 72 -12.982 9.635 3.841 1.00 0.34 C ATOM 1025 O LYS A 72 -14.072 9.062 3.801 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.047 10.068 6.127 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.053 9.664 7.202 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.032 10.650 8.353 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.008 10.247 9.398 1.00 0.71 C ATOM 1030 NZ LYS A 72 -9.821 11.298 10.429 1.00 1.23 N ATOM 0 H LYS A 72 -10.003 10.087 4.760 1.00 0.29 H new ATOM 0 HA LYS A 72 -12.068 8.184 5.112 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.901 11.120 5.881 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.059 9.970 6.519 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.308 8.673 7.578 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.056 9.593 6.767 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -10.801 11.647 7.978 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.021 10.703 8.809 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.325 9.321 9.878 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.054 10.043 8.911 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.114 10.982 11.123 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -9.493 12.175 9.976 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -10.725 11.475 10.912 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.639 10.601 3.003 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.536 11.080 1.962 1.00 0.36 C ATOM 1046 C GLN A 73 -13.710 10.036 0.865 1.00 0.31 C ATOM 1047 O GLN A 73 -14.831 9.697 0.483 1.00 0.38 O ATOM 1048 CB GLN A 73 -12.985 12.370 1.346 1.00 0.41 C ATOM 1049 CG GLN A 73 -12.881 13.533 2.320 1.00 1.17 C ATOM 1050 CD GLN A 73 -12.217 14.751 1.701 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -10.999 14.918 1.781 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -13.009 15.603 1.072 1.00 2.20 N ATOM 0 H GLN A 73 -11.735 11.073 3.025 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.506 11.274 2.419 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -11.997 12.168 0.932 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.625 12.664 0.514 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -13.879 13.803 2.666 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -12.314 13.220 3.196 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -14.013 15.429 1.028 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -12.616 16.434 0.631 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.594 9.501 0.388 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.593 8.702 -0.836 1.00 0.21 C ATOM 1063 C HIS A 74 -12.538 7.204 -0.567 1.00 0.19 C ATOM 1064 O HIS A 74 -12.206 6.426 -1.457 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.418 9.112 -1.731 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.508 10.533 -2.189 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.418 11.368 -2.205 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.595 11.220 -2.606 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.867 12.541 -2.618 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.182 12.499 -2.877 1.00 0.34 N ATOM 0 H HIS A 74 -11.679 9.604 0.827 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.537 8.902 -1.342 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.485 8.969 -1.186 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.383 8.456 -2.601 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.599 10.834 -2.707 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.252 13.422 -2.732 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.762 13.269 -3.211 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.858 6.797 0.649 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.903 5.374 0.966 1.00 0.20 C ATOM 1080 C ARG A 75 -14.252 4.779 0.583 1.00 0.23 C ATOM 1081 O ARG A 75 -14.338 3.619 0.184 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.605 5.130 2.449 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.532 5.862 3.403 1.00 0.31 C ATOM 1084 CD ARG A 75 -13.076 5.725 4.848 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.813 6.626 5.733 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.771 6.575 7.064 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -13.090 5.614 7.677 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -14.430 7.474 7.783 1.00 0.92 N ATOM 0 H ARG A 75 -13.088 7.418 1.425 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.130 4.875 0.381 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.669 4.060 2.649 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.578 5.432 2.655 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.573 6.917 3.133 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.543 5.468 3.302 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -13.215 4.696 5.178 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -12.009 5.940 4.915 1.00 0.39 H new ATOM 0 HE ARG A 75 -14.399 7.342 5.303 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -12.596 4.910 7.129 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -13.061 5.580 8.696 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.969 8.204 7.317 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -14.398 7.435 8.802 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.299 5.584 0.688 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.636 5.139 0.341 1.00 0.34 C ATOM 1104 C GLU A 76 -16.759 4.917 -1.160 1.00 0.32 C ATOM 1105 O GLU A 76 -16.362 5.771 -1.954 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.676 6.149 0.817 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.865 6.149 2.324 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.839 7.206 2.785 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -20.056 7.029 2.574 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -18.396 8.214 3.367 1.00 1.65 O ATOM 0 H GLU A 76 -15.246 6.550 1.011 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.819 4.189 0.843 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.378 7.147 0.495 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.630 5.931 0.338 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -18.220 5.169 2.642 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.902 6.312 2.808 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.284 3.761 -1.541 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.466 3.454 -2.946 1.00 0.42 C ATOM 1119 C GLY A 77 -16.200 2.945 -3.610 1.00 0.40 C ATOM 1120 O GLY A 77 -16.260 2.269 -4.634 1.00 0.58 O ATOM 0 H GLY A 77 -17.588 3.028 -0.900 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.251 2.705 -3.050 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -17.808 4.348 -3.466 1.00 0.42 H new ATOM 1124 N MET A 78 -15.053 3.271 -3.032 1.00 0.29 N ATOM 1125 CA MET A 78 -13.772 2.869 -3.602 1.00 0.27 C ATOM 1126 C MET A 78 -13.188 1.673 -2.861 1.00 0.24 C ATOM 1127 O MET A 78 -12.500 0.840 -3.456 1.00 0.28 O ATOM 1128 CB MET A 78 -12.776 4.036 -3.573 1.00 0.29 C ATOM 1129 CG MET A 78 -13.215 5.246 -4.394 1.00 0.35 C ATOM 1130 SD MET A 78 -13.466 4.851 -6.138 1.00 0.58 S ATOM 1131 CE MET A 78 -11.821 4.314 -6.608 1.00 1.51 C ATOM 0 H MET A 78 -14.981 3.812 -2.170 1.00 0.29 H new ATOM 0 HA MET A 78 -13.950 2.579 -4.637 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.625 4.346 -2.539 1.00 0.29 H new ATOM 0 HB3 MET A 78 -11.812 3.688 -3.945 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.141 5.645 -3.979 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.463 6.030 -4.308 1.00 0.35 H new ATOM 0 HE1 MET A 78 -11.725 4.343 -7.693 1.00 1.51 H new ATOM 0 HE2 MET A 78 -11.080 4.977 -6.161 1.00 1.51 H new ATOM 0 HE3 MET A 78 -11.656 3.296 -6.256 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.449 1.590 -1.563 1.00 0.24 N ATOM 1142 CA LEU A 79 -12.953 0.487 -0.761 1.00 0.22 C ATOM 1143 C LEU A 79 -14.114 -0.176 -0.023 1.00 0.25 C ATOM 1144 O LEU A 79 -15.022 0.506 0.465 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.914 1.021 0.233 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.009 -0.020 0.893 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.189 -0.765 -0.145 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.092 0.658 1.896 1.00 0.27 C ATOM 0 H LEU A 79 -14.001 2.274 -1.046 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.483 -0.259 -1.402 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.283 1.742 -0.286 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.440 1.564 1.018 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.637 -0.745 1.411 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.554 -1.499 0.351 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.857 -1.274 -0.840 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.566 -0.058 -0.693 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.449 -0.088 2.364 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.477 1.398 1.384 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.691 1.151 2.661 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.084 -1.498 0.055 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.139 -2.255 0.713 1.00 0.31 C ATOM 1162 C PHE A 80 -14.570 -3.537 1.311 1.00 0.31 C ATOM 1163 O PHE A 80 -13.450 -3.934 0.993 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.267 -2.574 -0.283 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.825 -3.330 -1.510 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.428 -2.653 -2.654 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.813 -4.717 -1.522 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.030 -3.343 -3.780 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.414 -5.410 -2.647 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.023 -4.722 -3.777 1.00 0.45 C ATOM 0 H PHE A 80 -13.335 -2.072 -0.332 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.555 -1.652 1.520 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -17.033 -3.156 0.230 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.733 -1.639 -0.596 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.431 -1.573 -2.663 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -16.119 -5.261 -0.641 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.724 -2.803 -4.664 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.408 -6.490 -2.643 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.712 -5.263 -4.658 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.339 -4.179 2.180 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.920 -5.432 2.790 1.00 0.38 C ATOM 1182 C ILE A 81 -15.303 -6.610 1.905 1.00 0.42 C ATOM 1183 O ILE A 81 -16.467 -6.771 1.533 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.537 -5.622 4.195 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.972 -4.595 5.177 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -15.288 -7.033 4.707 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.501 -4.785 5.485 1.00 0.44 C ATOM 0 H ILE A 81 -16.258 -3.851 2.478 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.836 -5.391 2.896 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.613 -5.469 4.114 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -15.121 -3.596 4.768 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.538 -4.647 6.107 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.731 -7.144 5.697 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.740 -7.753 4.024 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -14.215 -7.214 4.767 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -13.175 -4.019 6.188 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.346 -5.770 5.924 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.923 -4.703 4.565 1.00 0.44 H new ATOM 1199 N SER A 82 -14.318 -7.424 1.567 1.00 0.41 N ATOM 1200 CA SER A 82 -14.546 -8.597 0.748 1.00 0.47 C ATOM 1201 C SER A 82 -14.897 -9.783 1.636 1.00 0.54 C ATOM 1202 O SER A 82 -14.217 -10.048 2.624 1.00 0.61 O ATOM 1203 CB SER A 82 -13.304 -8.900 -0.088 1.00 0.57 C ATOM 1204 OG SER A 82 -13.522 -9.991 -0.966 1.00 0.79 O ATOM 0 H SER A 82 -13.347 -7.291 1.850 1.00 0.41 H new ATOM 0 HA SER A 82 -15.379 -8.408 0.071 1.00 0.47 H new ATOM 0 HB2 SER A 82 -13.028 -8.017 -0.665 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.466 -9.124 0.572 1.00 0.57 H new ATOM 0 HG SER A 82 -12.710 -10.158 -1.488 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.952 -10.497 1.275 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.453 -11.607 2.080 1.00 0.80 C ATOM 1212 C LYS A 83 -15.533 -12.821 1.989 1.00 0.81 C ATOM 1213 O LYS A 83 -15.756 -13.832 2.658 1.00 0.91 O ATOM 1214 CB LYS A 83 -17.863 -11.985 1.627 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.884 -10.871 1.815 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.184 -11.163 1.076 1.00 1.34 C ATOM 1217 CE LYS A 83 -20.911 -12.373 1.642 1.00 2.08 C ATOM 1218 NZ LYS A 83 -21.443 -12.121 3.009 1.00 2.62 N ATOM 0 H LYS A 83 -16.484 -10.327 0.422 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.480 -11.283 3.120 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.834 -12.266 0.574 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.190 -12.864 2.182 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -19.091 -10.743 2.878 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.466 -9.930 1.457 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.836 -10.291 1.133 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -19.969 -11.332 0.021 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -21.732 -12.644 0.979 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -20.230 -13.224 1.670 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.030 -12.926 3.307 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -20.652 -12.005 3.674 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -22.020 -11.256 3.003 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.504 -12.716 1.159 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.560 -13.803 0.966 1.00 0.81 C ATOM 1234 C LEU A 84 -12.648 -13.954 2.181 1.00 0.76 C ATOM 1235 O LEU A 84 -12.545 -15.037 2.761 1.00 0.81 O ATOM 1236 CB LEU A 84 -12.724 -13.558 -0.292 1.00 0.90 C ATOM 1237 CG LEU A 84 -13.520 -13.431 -1.597 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -12.593 -13.102 -2.756 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -14.294 -14.709 -1.886 1.00 1.25 C ATOM 0 H LEU A 84 -14.303 -11.883 0.606 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.124 -14.728 0.844 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.144 -12.646 -0.150 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.011 -14.376 -0.399 1.00 0.90 H new ATOM 0 HG LEU A 84 -14.235 -12.617 -1.480 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -13.175 -13.016 -3.674 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -12.084 -12.158 -2.559 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -11.854 -13.896 -2.868 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -14.851 -14.595 -2.816 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -13.598 -15.543 -1.980 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -14.989 -14.906 -1.069 1.00 1.25 H new ATOM 1251 N ASP A 85 -11.987 -12.865 2.566 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.069 -12.895 3.708 1.00 0.75 C ATOM 1253 C ASP A 85 -11.460 -11.866 4.763 1.00 0.66 C ATOM 1254 O ASP A 85 -10.867 -11.813 5.839 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.623 -12.619 3.270 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.178 -13.444 2.082 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -9.203 -12.933 0.946 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -8.815 -14.623 2.280 1.00 1.42 O ATOM 0 H ASP A 85 -12.067 -11.956 2.110 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.136 -13.896 4.134 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.523 -11.562 3.025 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -8.955 -12.816 4.108 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.456 -11.047 4.457 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.821 -9.960 5.345 1.00 0.56 C ATOM 1265 C GLY A 86 -11.862 -8.796 5.222 1.00 0.48 C ATOM 1266 O GLY A 86 -11.749 -7.964 6.125 1.00 0.50 O ATOM 0 H GLY A 86 -13.019 -11.115 3.609 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.832 -9.625 5.115 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.830 -10.318 6.375 1.00 0.56 H new ATOM 1270 N ARG A 87 -11.168 -8.739 4.094 1.00 0.43 N ATOM 1271 CA ARG A 87 -10.171 -7.711 3.857 1.00 0.39 C ATOM 1272 C ARG A 87 -10.773 -6.525 3.126 1.00 0.33 C ATOM 1273 O ARG A 87 -11.749 -6.668 2.384 1.00 0.36 O ATOM 1274 CB ARG A 87 -9.017 -8.274 3.031 1.00 0.46 C ATOM 1275 CG ARG A 87 -8.179 -9.307 3.764 1.00 0.58 C ATOM 1276 CD ARG A 87 -7.082 -9.852 2.869 1.00 0.96 C ATOM 1277 NE ARG A 87 -6.287 -10.889 3.524 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.401 -11.658 2.888 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -5.225 -11.528 1.578 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.700 -12.565 3.557 1.00 2.10 N ATOM 0 H ARG A 87 -11.280 -9.399 3.325 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.801 -7.378 4.827 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.419 -8.725 2.124 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -8.372 -7.452 2.720 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.738 -8.858 4.654 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.816 -10.124 4.102 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.527 -10.259 1.961 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.427 -9.036 2.564 1.00 0.96 H new ATOM 0 HE ARG A 87 -6.417 -11.033 4.525 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.767 -10.839 1.056 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -4.547 -12.117 1.094 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -4.837 -12.677 4.562 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -4.024 -13.151 3.067 1.00 2.10 H new ATOM 1294 N LEU A 88 -10.191 -5.358 3.350 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.557 -4.166 2.606 1.00 0.26 C ATOM 1296 C LEU A 88 -10.008 -4.260 1.192 1.00 0.24 C ATOM 1297 O LEU A 88 -8.795 -4.241 0.985 1.00 0.28 O ATOM 1298 CB LEU A 88 -10.010 -2.911 3.290 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.740 -2.476 4.558 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.870 -1.524 5.364 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -12.056 -1.800 4.206 1.00 0.44 C ATOM 0 H LEU A 88 -9.459 -5.212 4.045 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.644 -4.096 2.574 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.962 -3.082 3.537 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -10.039 -2.088 2.576 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.949 -3.362 5.158 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -10.402 -1.221 6.266 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.942 -2.025 5.641 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.642 -0.643 4.764 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.565 -1.496 5.121 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.861 -0.922 3.590 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.687 -2.497 3.655 1.00 0.44 H new ATOM 1313 N SER A 89 -10.896 -4.375 0.228 1.00 0.22 N ATOM 1314 CA SER A 89 -10.499 -4.533 -1.156 1.00 0.23 C ATOM 1315 C SER A 89 -11.093 -3.410 -1.999 1.00 0.21 C ATOM 1316 O SER A 89 -12.260 -3.050 -1.839 1.00 0.22 O ATOM 1317 CB SER A 89 -10.945 -5.901 -1.676 1.00 0.28 C ATOM 1318 OG SER A 89 -10.441 -6.146 -2.979 1.00 0.55 O ATOM 0 H SER A 89 -11.905 -4.362 0.378 1.00 0.22 H new ATOM 0 HA SER A 89 -9.413 -4.478 -1.227 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.599 -6.681 -0.997 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.034 -5.950 -1.690 1.00 0.28 H new ATOM 0 HG SER A 89 -9.551 -6.551 -2.915 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.271 -2.833 -2.866 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.692 -1.702 -3.680 1.00 0.24 C ATOM 1326 C CYS A 90 -11.449 -2.173 -4.921 1.00 0.27 C ATOM 1327 O CYS A 90 -11.409 -3.353 -5.285 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.478 -0.860 -4.095 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.413 -1.654 -5.318 1.00 0.28 S ATOM 0 H CYS A 90 -9.308 -3.131 -3.023 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.363 -1.087 -3.080 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.829 0.090 -4.497 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -8.887 -0.632 -3.208 1.00 0.25 H new ATOM 1334 N THR A 91 -12.125 -1.233 -5.569 1.00 0.30 N ATOM 1335 CA THR A 91 -12.929 -1.516 -6.747 1.00 0.36 C ATOM 1336 C THR A 91 -12.073 -1.682 -8.000 1.00 0.43 C ATOM 1337 O THR A 91 -12.586 -1.984 -9.079 1.00 0.54 O ATOM 1338 CB THR A 91 -13.941 -0.385 -6.973 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.279 0.881 -6.843 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.079 -0.473 -5.972 1.00 0.38 C ATOM 0 H THR A 91 -12.130 -0.252 -5.291 1.00 0.30 H new ATOM 0 HA THR A 91 -13.448 -2.457 -6.566 1.00 0.36 H new ATOM 0 HB THR A 91 -14.356 -0.483 -7.976 1.00 0.39 H new ATOM 0 HG1 THR A 91 -13.924 1.604 -6.989 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.784 0.338 -6.151 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.590 -1.429 -6.085 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.681 -0.391 -4.961 1.00 0.38 H new ATOM 1348 N GLU A 92 -10.767 -1.493 -7.850 1.00 0.43 N ATOM 1349 CA GLU A 92 -9.839 -1.617 -8.966 1.00 0.52 C ATOM 1350 C GLU A 92 -9.434 -3.075 -9.179 1.00 0.51 C ATOM 1351 O GLU A 92 -8.583 -3.380 -10.014 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.594 -0.760 -8.722 1.00 0.56 C ATOM 1353 CG GLU A 92 -8.872 0.739 -8.661 1.00 0.66 C ATOM 1354 CD GLU A 92 -9.423 1.287 -9.963 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -10.444 2.006 -9.925 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -8.853 0.990 -11.033 1.00 1.54 O ATOM 0 H GLU A 92 -10.326 -1.252 -6.962 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.344 -1.263 -9.865 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.130 -1.071 -7.786 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -7.872 -0.953 -9.516 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.581 0.940 -7.858 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -7.951 1.265 -8.411 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.046 -3.976 -8.422 1.00 0.49 N ATOM 1364 CA HIS A 93 -9.759 -5.400 -8.551 1.00 0.53 C ATOM 1365 C HIS A 93 -10.939 -6.116 -9.182 1.00 0.67 C ATOM 1366 O HIS A 93 -11.429 -7.121 -8.664 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.443 -6.027 -7.193 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.254 -5.437 -6.508 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.207 -4.823 -7.157 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -7.963 -5.374 -5.189 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.334 -4.414 -6.229 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.747 -4.725 -5.015 1.00 0.32 N ATOM 0 H HIS A 93 -10.743 -3.748 -7.713 1.00 0.49 H new ATOM 0 HA HIS A 93 -8.883 -5.508 -9.191 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.312 -5.919 -6.545 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.277 -7.096 -7.329 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.113 -4.701 -8.165 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.580 -5.767 -4.394 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.411 -3.897 -6.446 1.00 0.36 H new ATOM 1380 N ASP A 94 -11.396 -5.584 -10.297 1.00 0.83 N ATOM 1381 CA ASP A 94 -12.500 -6.175 -11.030 1.00 1.02 C ATOM 1382 C ASP A 94 -11.975 -7.226 -11.992 1.00 1.33 C ATOM 1383 O ASP A 94 -11.262 -6.851 -12.944 1.00 1.92 O ATOM 1384 CB ASP A 94 -13.270 -5.095 -11.784 1.00 1.54 C ATOM 1385 CG ASP A 94 -14.380 -5.655 -12.644 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.370 -6.169 -12.080 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.262 -5.606 -13.884 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.246 -8.423 -11.774 1.00 1.91 O ATOM 0 H ASP A 94 -11.017 -4.736 -10.719 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.181 -6.653 -10.326 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.693 -4.390 -11.068 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -12.578 -4.534 -12.412 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.148 -4.763 -7.156 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.159 2.519 4.823 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.949 11.208 -0.858 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -6.782 -2.878 -4.265 1.00 0.27 ZN