USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 58 THR OG1 : rot -85:sc= 1.73 USER MOD Set 1.2: A 61 GLN : amide:sc= -6.03! C(o=-12!,f=-13!) USER MOD Set 1.3: A 68 HIS : no HE2:sc= -7.53 K(o=-12,f=-18!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -131:sc= 0.262! (180deg=-3.19!) USER MOD Set 2.2: A 33 TYR OH : rot 1:sc= 2.23 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0173 (180deg=-0.357) USER MOD Single : A 1 MET N :NH3+ 170:sc= -2.72! (180deg=-2.99!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 3 THR OG1 : rot 170:sc= 1.37 USER MOD Single : A 9 SER OG : rot -89:sc= 0.233 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -115:sc= -2.7! (180deg=-5.43!) USER MOD Single : A 25 SER OG : rot -63:sc= 0.277 USER MOD Single : A 26 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -4.34! C(o=-4.3!,f=-17!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 151:sc= 1.08 USER MOD Single : A 45 LYS NZ :NH3+ -106:sc= -0.994 (180deg=-3.12!) USER MOD Single : A 49 GLN : amide:sc= -3.37! C(o=-3.4!,f=-2.5!) USER MOD Single : A 50 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.017) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -0.293 (180deg=-2.16) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.585! (180deg=-2.07) USER MOD Single : A 66 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.953 X(o=-0.95,f=-1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0.742 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= -0.912 (180deg=-6.34!) USER MOD Single : A 82 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.311 -3.742 6.623 1.00 1.74 N ATOM 2 CA MET A 1 -8.187 -4.129 5.201 1.00 1.53 C ATOM 3 C MET A 1 -6.784 -4.684 4.951 1.00 1.42 C ATOM 4 O MET A 1 -5.903 -4.539 5.786 1.00 1.50 O ATOM 5 CB MET A 1 -8.389 -2.913 4.292 1.00 2.10 C ATOM 6 CG MET A 1 -9.843 -2.428 4.354 1.00 2.40 C ATOM 7 SD MET A 1 -10.258 -0.998 3.326 1.00 2.72 S ATOM 8 CE MET A 1 -9.277 0.219 4.236 1.00 1.53 C ATOM 0 H1 MET A 1 -9.195 -3.212 6.763 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.323 -4.597 7.216 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.503 -3.145 6.892 1.00 1.74 H new ATOM 0 HA MET A 1 -8.946 -4.879 4.980 1.00 1.53 H new ATOM 0 HB2 MET A 1 -7.719 -2.109 4.596 1.00 2.10 H new ATOM 0 HB3 MET A 1 -8.130 -3.172 3.266 1.00 2.10 H new ATOM 0 HG2 MET A 1 -10.492 -3.255 4.066 1.00 2.40 H new ATOM 0 HG3 MET A 1 -10.078 -2.184 5.390 1.00 2.40 H new ATOM 0 HE1 MET A 1 -9.596 1.224 3.959 1.00 1.53 H new ATOM 0 HE2 MET A 1 -9.420 0.075 5.307 1.00 1.53 H new ATOM 0 HE3 MET A 1 -8.222 0.093 3.991 1.00 1.53 H new ATOM 18 N GLN A 2 -6.620 -5.285 3.802 1.00 1.35 N ATOM 19 CA GLN A 2 -5.297 -5.861 3.413 1.00 1.35 C ATOM 20 C GLN A 2 -4.723 -4.994 2.298 1.00 1.18 C ATOM 21 O GLN A 2 -5.132 -5.101 1.161 1.00 1.70 O ATOM 22 CB GLN A 2 -5.497 -7.296 2.903 1.00 1.51 C ATOM 23 CG GLN A 2 -5.373 -8.294 4.064 1.00 1.96 C ATOM 24 CD GLN A 2 -3.910 -8.740 4.201 1.00 3.23 C ATOM 25 OE1 GLN A 2 -3.034 -7.977 4.544 1.00 4.00 O ATOM 26 NE2 GLN A 2 -3.599 -9.967 3.922 1.00 4.50 N ATOM 0 H GLN A 2 -7.357 -5.403 3.106 1.00 1.35 H new ATOM 0 HA GLN A 2 -4.618 -5.882 4.266 1.00 1.35 H new ATOM 0 HB2 GLN A 2 -6.477 -7.390 2.436 1.00 1.51 H new ATOM 0 HB3 GLN A 2 -4.756 -7.524 2.137 1.00 1.51 H new ATOM 0 HG2 GLN A 2 -5.712 -7.833 4.992 1.00 1.96 H new ATOM 0 HG3 GLN A 2 -6.013 -9.158 3.885 1.00 1.96 H new ATOM 0 HE21 GLN A 2 -4.324 -10.623 3.632 1.00 4.50 H new ATOM 0 HE22 GLN A 2 -2.630 -10.276 3.993 1.00 4.50 H new ATOM 35 N THR A 3 -3.797 -4.152 2.624 1.00 0.60 N ATOM 36 CA THR A 3 -3.233 -3.275 1.571 1.00 0.48 C ATOM 37 C THR A 3 -2.011 -3.952 0.952 1.00 0.45 C ATOM 38 O THR A 3 -1.200 -4.546 1.636 1.00 0.55 O ATOM 39 CB THR A 3 -2.880 -1.931 2.214 1.00 0.57 C ATOM 40 OG1 THR A 3 -4.104 -1.499 2.821 1.00 0.75 O ATOM 41 CG2 THR A 3 -2.566 -0.872 1.152 1.00 0.78 C ATOM 0 H THR A 3 -3.408 -4.031 3.559 1.00 0.60 H new ATOM 0 HA THR A 3 -3.951 -3.101 0.769 1.00 0.48 H new ATOM 0 HB THR A 3 -2.027 -2.042 2.883 1.00 0.57 H new ATOM 0 HG1 THR A 3 -3.929 -0.722 3.393 1.00 0.75 H new ATOM 0 HG21 THR A 3 -2.319 0.071 1.640 1.00 0.78 H new ATOM 0 HG22 THR A 3 -1.720 -1.201 0.549 1.00 0.78 H new ATOM 0 HG23 THR A 3 -3.436 -0.731 0.510 1.00 0.78 H new ATOM 49 N VAL A 4 -1.910 -3.832 -0.343 1.00 0.44 N ATOM 50 CA VAL A 4 -0.778 -4.460 -1.092 1.00 0.56 C ATOM 51 C VAL A 4 0.004 -3.389 -1.851 1.00 0.59 C ATOM 52 O VAL A 4 -0.581 -2.473 -2.420 1.00 0.66 O ATOM 53 CB VAL A 4 -1.341 -5.477 -2.100 1.00 0.70 C ATOM 54 CG1 VAL A 4 -0.171 -6.246 -2.717 1.00 0.91 C ATOM 55 CG2 VAL A 4 -2.280 -6.478 -1.407 1.00 0.77 C ATOM 0 H VAL A 4 -2.572 -3.319 -0.925 1.00 0.44 H new ATOM 0 HA VAL A 4 -0.115 -4.959 -0.385 1.00 0.56 H new ATOM 0 HB VAL A 4 -1.906 -4.942 -2.863 1.00 0.70 H new ATOM 0 HG11 VAL A 4 -0.551 -6.973 -3.435 1.00 0.91 H new ATOM 0 HG12 VAL A 4 0.495 -5.549 -3.225 1.00 0.91 H new ATOM 0 HG13 VAL A 4 0.378 -6.765 -1.931 1.00 0.91 H new ATOM 0 HG21 VAL A 4 -2.664 -7.185 -2.142 1.00 0.77 H new ATOM 0 HG22 VAL A 4 -1.731 -7.018 -0.636 1.00 0.77 H new ATOM 0 HG23 VAL A 4 -3.112 -5.941 -0.951 1.00 0.77 H new ATOM 65 N ILE A 5 1.304 -3.546 -1.814 1.00 0.56 N ATOM 66 CA ILE A 5 2.223 -2.607 -2.517 1.00 0.59 C ATOM 67 C ILE A 5 3.002 -3.411 -3.573 1.00 0.63 C ATOM 68 O ILE A 5 3.823 -4.238 -3.216 1.00 0.74 O ATOM 69 CB ILE A 5 3.224 -2.010 -1.506 1.00 0.55 C ATOM 70 CG1 ILE A 5 2.524 -1.514 -0.214 1.00 0.58 C ATOM 71 CG2 ILE A 5 3.987 -0.861 -2.180 1.00 0.61 C ATOM 72 CD1 ILE A 5 1.603 -0.316 -0.476 1.00 1.53 C ATOM 0 H ILE A 5 1.773 -4.302 -1.315 1.00 0.56 H new ATOM 0 HA ILE A 5 1.656 -1.800 -2.981 1.00 0.59 H new ATOM 0 HB ILE A 5 3.918 -2.794 -1.205 1.00 0.55 H new ATOM 0 HG12 ILE A 5 1.943 -2.329 0.218 1.00 0.58 H new ATOM 0 HG13 ILE A 5 3.279 -1.236 0.522 1.00 0.58 H new ATOM 0 HG21 ILE A 5 4.697 -0.432 -1.473 1.00 0.61 H new ATOM 0 HG22 ILE A 5 4.524 -1.241 -3.049 1.00 0.61 H new ATOM 0 HG23 ILE A 5 3.282 -0.093 -2.497 1.00 0.61 H new ATOM 0 HD11 ILE A 5 1.136 -0.005 0.458 1.00 1.53 H new ATOM 0 HD12 ILE A 5 2.187 0.510 -0.882 1.00 1.53 H new ATOM 0 HD13 ILE A 5 0.831 -0.600 -1.191 1.00 1.53 H new ATOM 84 N PHE A 6 2.723 -3.190 -4.834 1.00 0.57 N ATOM 85 CA PHE A 6 3.451 -3.943 -5.903 1.00 0.62 C ATOM 86 C PHE A 6 4.670 -3.101 -6.300 1.00 0.67 C ATOM 87 O PHE A 6 4.567 -2.234 -7.154 1.00 0.78 O ATOM 88 CB PHE A 6 2.521 -4.133 -7.118 1.00 0.66 C ATOM 89 CG PHE A 6 1.253 -4.912 -6.722 1.00 0.77 C ATOM 90 CD1 PHE A 6 0.256 -4.298 -5.984 1.00 1.10 C ATOM 91 CD2 PHE A 6 1.086 -6.235 -7.093 1.00 0.81 C ATOM 92 CE1 PHE A 6 -0.883 -4.994 -5.623 1.00 1.28 C ATOM 93 CE2 PHE A 6 -0.056 -6.926 -6.734 1.00 0.97 C ATOM 94 CZ PHE A 6 -1.039 -6.307 -5.999 1.00 1.14 C ATOM 0 H PHE A 6 2.026 -2.524 -5.169 1.00 0.57 H new ATOM 0 HA PHE A 6 3.763 -4.926 -5.551 1.00 0.62 H new ATOM 0 HB2 PHE A 6 2.243 -3.160 -7.524 1.00 0.66 H new ATOM 0 HB3 PHE A 6 3.050 -4.668 -7.906 1.00 0.66 H new ATOM 0 HD1 PHE A 6 0.369 -3.266 -5.687 1.00 1.10 H new ATOM 0 HD2 PHE A 6 1.854 -6.731 -7.668 1.00 0.81 H new ATOM 0 HE1 PHE A 6 -1.652 -4.505 -5.044 1.00 1.28 H new ATOM 0 HE2 PHE A 6 -0.177 -7.957 -7.032 1.00 0.97 H new ATOM 0 HZ PHE A 6 -1.930 -6.850 -5.718 1.00 1.14 H new ATOM 104 N GLY A 7 5.779 -3.336 -5.640 1.00 0.71 N ATOM 105 CA GLY A 7 7.019 -2.540 -5.935 1.00 0.80 C ATOM 106 C GLY A 7 8.153 -3.449 -6.400 1.00 0.93 C ATOM 107 O GLY A 7 7.905 -4.573 -6.788 1.00 1.06 O ATOM 0 H GLY A 7 5.882 -4.042 -4.911 1.00 0.71 H new ATOM 0 HA2 GLY A 7 6.805 -1.797 -6.704 1.00 0.80 H new ATOM 0 HA3 GLY A 7 7.327 -1.995 -5.042 1.00 0.80 H new ATOM 111 N ARG A 8 9.374 -2.963 -6.358 1.00 1.03 N ATOM 112 CA ARG A 8 10.527 -3.811 -6.812 1.00 1.27 C ATOM 113 C ARG A 8 11.585 -3.975 -5.696 1.00 1.43 C ATOM 114 O ARG A 8 12.685 -3.457 -5.766 1.00 2.45 O ATOM 115 CB ARG A 8 11.155 -3.186 -8.080 1.00 1.55 C ATOM 116 CG ARG A 8 11.424 -4.286 -9.117 1.00 1.80 C ATOM 117 CD ARG A 8 12.516 -5.228 -8.592 1.00 2.69 C ATOM 118 NE ARG A 8 12.350 -6.557 -9.242 1.00 3.74 N ATOM 119 CZ ARG A 8 11.782 -7.503 -8.562 1.00 5.23 C ATOM 120 NH1 ARG A 8 12.515 -8.209 -7.764 1.00 6.25 N ATOM 121 NH2 ARG A 8 10.500 -7.663 -8.679 1.00 6.24 N ATOM 0 H ARG A 8 9.620 -2.028 -6.033 1.00 1.03 H new ATOM 0 HA ARG A 8 10.155 -4.808 -7.048 1.00 1.27 H new ATOM 0 HB2 ARG A 8 10.485 -2.435 -8.498 1.00 1.55 H new ATOM 0 HB3 ARG A 8 12.085 -2.677 -7.825 1.00 1.55 H new ATOM 0 HG2 ARG A 8 10.510 -4.846 -9.314 1.00 1.80 H new ATOM 0 HG3 ARG A 8 11.736 -3.841 -10.062 1.00 1.80 H new ATOM 0 HD2 ARG A 8 13.503 -4.821 -8.810 1.00 2.69 H new ATOM 0 HD3 ARG A 8 12.443 -5.325 -7.509 1.00 2.69 H new ATOM 0 HE ARG A 8 12.674 -6.719 -10.196 1.00 3.74 H new ATOM 0 HH11 ARG A 8 13.513 -8.015 -7.682 1.00 6.25 H new ATOM 0 HH12 ARG A 8 12.095 -8.960 -7.216 1.00 6.25 H new ATOM 0 HH21 ARG A 8 9.964 -7.052 -9.295 1.00 6.24 H new ATOM 0 HH22 ARG A 8 10.028 -8.400 -8.155 1.00 6.24 H new ATOM 135 N SER A 9 11.194 -4.745 -4.719 1.00 1.73 N ATOM 136 CA SER A 9 12.054 -5.077 -3.529 1.00 2.20 C ATOM 137 C SER A 9 13.027 -3.983 -3.063 1.00 2.40 C ATOM 138 O SER A 9 12.746 -3.288 -2.099 1.00 3.71 O ATOM 139 CB SER A 9 12.857 -6.347 -3.862 1.00 2.52 C ATOM 140 OG SER A 9 13.293 -6.150 -5.204 1.00 3.24 O ATOM 0 H SER A 9 10.272 -5.181 -4.690 1.00 1.73 H new ATOM 0 HA SER A 9 11.363 -5.204 -2.696 1.00 2.20 H new ATOM 0 HB2 SER A 9 13.702 -6.472 -3.184 1.00 2.52 H new ATOM 0 HB3 SER A 9 12.241 -7.242 -3.772 1.00 2.52 H new ATOM 0 HG SER A 9 12.618 -6.501 -5.822 1.00 3.24 H new ATOM 146 N GLY A 10 14.121 -3.822 -3.765 1.00 2.44 N ATOM 147 CA GLY A 10 15.142 -2.816 -3.342 1.00 2.77 C ATOM 148 C GLY A 10 15.135 -1.537 -4.175 1.00 2.54 C ATOM 149 O GLY A 10 16.185 -1.077 -4.592 1.00 2.92 O ATOM 0 H GLY A 10 14.351 -4.343 -4.611 1.00 2.44 H new ATOM 0 HA2 GLY A 10 14.971 -2.558 -2.297 1.00 2.77 H new ATOM 0 HA3 GLY A 10 16.131 -3.270 -3.401 1.00 2.77 H new ATOM 153 N CYS A 11 13.969 -1.002 -4.405 1.00 2.15 N ATOM 154 CA CYS A 11 13.877 0.274 -5.170 1.00 2.05 C ATOM 155 C CYS A 11 13.293 1.351 -4.241 1.00 2.01 C ATOM 156 O CYS A 11 12.169 1.232 -3.790 1.00 2.15 O ATOM 157 CB CYS A 11 12.984 0.083 -6.402 1.00 1.84 C ATOM 158 SG CYS A 11 11.556 -1.014 -6.253 1.00 1.63 S ATOM 0 H CYS A 11 13.078 -1.391 -4.098 1.00 2.15 H new ATOM 0 HA CYS A 11 14.864 0.581 -5.514 1.00 2.05 H new ATOM 0 HB2 CYS A 11 12.621 1.065 -6.706 1.00 1.84 H new ATOM 0 HB3 CYS A 11 13.609 -0.291 -7.213 1.00 1.84 H new ATOM 163 N PRO A 12 14.084 2.359 -3.926 1.00 2.17 N ATOM 164 CA PRO A 12 13.736 3.336 -2.860 1.00 2.20 C ATOM 165 C PRO A 12 12.302 3.862 -3.017 1.00 1.90 C ATOM 166 O PRO A 12 11.497 3.779 -2.100 1.00 2.08 O ATOM 167 CB PRO A 12 14.785 4.455 -3.006 1.00 2.67 C ATOM 168 CG PRO A 12 15.526 4.193 -4.341 1.00 2.60 C ATOM 169 CD PRO A 12 15.330 2.702 -4.652 1.00 2.51 C ATOM 0 HA PRO A 12 13.757 2.888 -1.866 1.00 2.20 H new ATOM 0 HB2 PRO A 12 14.308 5.435 -3.013 1.00 2.67 H new ATOM 0 HB3 PRO A 12 15.481 4.445 -2.168 1.00 2.67 H new ATOM 0 HG2 PRO A 12 15.121 4.814 -5.140 1.00 2.60 H new ATOM 0 HG3 PRO A 12 16.585 4.437 -4.253 1.00 2.60 H new ATOM 0 HD2 PRO A 12 15.232 2.525 -5.723 1.00 2.51 H new ATOM 0 HD3 PRO A 12 16.174 2.105 -4.306 1.00 2.51 H new ATOM 177 N TYR A 13 12.007 4.392 -4.180 1.00 1.79 N ATOM 178 CA TYR A 13 10.628 4.928 -4.412 1.00 1.71 C ATOM 179 C TYR A 13 9.586 3.863 -4.050 1.00 1.36 C ATOM 180 O TYR A 13 8.574 4.165 -3.449 1.00 1.43 O ATOM 181 CB TYR A 13 10.470 5.354 -5.885 1.00 2.01 C ATOM 182 CG TYR A 13 9.262 6.306 -6.031 1.00 1.54 C ATOM 183 CD1 TYR A 13 9.183 7.461 -5.272 1.00 2.20 C ATOM 184 CD2 TYR A 13 8.240 6.035 -6.924 1.00 1.88 C ATOM 185 CE1 TYR A 13 8.110 8.320 -5.396 1.00 2.38 C ATOM 186 CE2 TYR A 13 7.164 6.900 -7.046 1.00 2.02 C ATOM 187 CZ TYR A 13 7.089 8.048 -6.283 1.00 1.94 C ATOM 188 OH TYR A 13 6.007 8.903 -6.394 1.00 2.54 O ATOM 0 H TYR A 13 12.650 4.476 -4.967 1.00 1.79 H new ATOM 0 HA TYR A 13 10.472 5.800 -3.777 1.00 1.71 H new ATOM 0 HB2 TYR A 13 11.378 5.849 -6.229 1.00 2.01 H new ATOM 0 HB3 TYR A 13 10.329 4.475 -6.514 1.00 2.01 H new ATOM 0 HD1 TYR A 13 9.973 7.693 -4.573 1.00 2.20 H new ATOM 0 HD2 TYR A 13 8.281 5.142 -7.531 1.00 1.88 H new ATOM 0 HE1 TYR A 13 8.069 9.215 -4.792 1.00 2.38 H new ATOM 0 HE2 TYR A 13 6.374 6.673 -7.747 1.00 2.02 H new ATOM 0 HH TYR A 13 5.384 8.557 -7.067 1.00 2.54 H new ATOM 198 N CYS A 14 9.860 2.629 -4.402 1.00 1.16 N ATOM 199 CA CYS A 14 8.882 1.547 -4.081 1.00 0.92 C ATOM 200 C CYS A 14 8.707 1.422 -2.567 1.00 0.67 C ATOM 201 O CYS A 14 7.601 1.468 -2.055 1.00 0.71 O ATOM 202 CB CYS A 14 9.383 0.212 -4.626 1.00 0.88 C ATOM 203 SG CYS A 14 9.926 0.164 -6.344 1.00 1.77 S ATOM 0 H CYS A 14 10.704 2.330 -4.889 1.00 1.16 H new ATOM 0 HA CYS A 14 7.927 1.802 -4.541 1.00 0.92 H new ATOM 0 HB2 CYS A 14 10.214 -0.115 -4.002 1.00 0.88 H new ATOM 0 HB3 CYS A 14 8.585 -0.521 -4.505 1.00 0.88 H new ATOM 208 N VAL A 15 9.819 1.265 -1.901 1.00 0.74 N ATOM 209 CA VAL A 15 9.802 1.110 -0.415 1.00 0.79 C ATOM 210 C VAL A 15 9.020 2.243 0.264 1.00 0.72 C ATOM 211 O VAL A 15 8.303 2.000 1.212 1.00 0.75 O ATOM 212 CB VAL A 15 11.244 1.065 0.101 1.00 1.19 C ATOM 213 CG1 VAL A 15 11.248 0.899 1.629 1.00 1.42 C ATOM 214 CG2 VAL A 15 11.939 -0.149 -0.526 1.00 1.37 C ATOM 0 H VAL A 15 10.746 1.237 -2.325 1.00 0.74 H new ATOM 0 HA VAL A 15 9.294 0.178 -0.168 1.00 0.79 H new ATOM 0 HB VAL A 15 11.759 1.989 -0.163 1.00 1.19 H new ATOM 0 HG11 VAL A 15 12.276 0.868 1.989 1.00 1.42 H new ATOM 0 HG12 VAL A 15 10.728 1.740 2.088 1.00 1.42 H new ATOM 0 HG13 VAL A 15 10.742 -0.029 1.896 1.00 1.42 H new ATOM 0 HG21 VAL A 15 12.969 -0.201 -0.173 1.00 1.37 H new ATOM 0 HG22 VAL A 15 11.410 -1.059 -0.240 1.00 1.37 H new ATOM 0 HG23 VAL A 15 11.933 -0.051 -1.612 1.00 1.37 H new ATOM 224 N ARG A 16 9.206 3.459 -0.192 1.00 0.82 N ATOM 225 CA ARG A 16 8.447 4.602 0.435 1.00 0.94 C ATOM 226 C ARG A 16 6.983 4.229 0.698 1.00 0.94 C ATOM 227 O ARG A 16 6.435 4.557 1.729 1.00 1.45 O ATOM 228 CB ARG A 16 8.489 5.844 -0.466 1.00 1.05 C ATOM 229 CG ARG A 16 9.861 6.530 -0.375 1.00 1.78 C ATOM 230 CD ARG A 16 10.153 6.942 1.079 1.00 2.39 C ATOM 231 NE ARG A 16 8.955 7.632 1.668 1.00 2.03 N ATOM 232 CZ ARG A 16 8.368 7.132 2.728 1.00 2.54 C ATOM 233 NH1 ARG A 16 9.082 6.922 3.792 1.00 3.45 N ATOM 234 NH2 ARG A 16 7.103 6.871 2.698 1.00 3.41 N ATOM 0 H ARG A 16 9.835 3.712 -0.954 1.00 0.82 H new ATOM 0 HA ARG A 16 8.932 4.821 1.386 1.00 0.94 H new ATOM 0 HB2 ARG A 16 8.287 5.558 -1.498 1.00 1.05 H new ATOM 0 HB3 ARG A 16 7.706 6.542 -0.169 1.00 1.05 H new ATOM 0 HG2 ARG A 16 10.638 5.854 -0.732 1.00 1.78 H new ATOM 0 HG3 ARG A 16 9.880 7.408 -1.021 1.00 1.78 H new ATOM 0 HD2 ARG A 16 10.404 6.062 1.672 1.00 2.39 H new ATOM 0 HD3 ARG A 16 11.017 7.605 1.111 1.00 2.39 H new ATOM 0 HE ARG A 16 8.599 8.488 1.243 1.00 2.03 H new ATOM 0 HH11 ARG A 16 10.077 7.145 3.791 1.00 3.45 H new ATOM 0 HH12 ARG A 16 8.648 6.534 4.629 1.00 3.45 H new ATOM 0 HH21 ARG A 16 6.564 7.054 1.851 1.00 3.41 H new ATOM 0 HH22 ARG A 16 6.643 6.482 3.521 1.00 3.41 H new ATOM 248 N ALA A 17 6.382 3.551 -0.240 1.00 0.71 N ATOM 249 CA ALA A 17 4.964 3.141 -0.052 1.00 0.67 C ATOM 250 C ALA A 17 4.896 2.121 1.088 1.00 0.61 C ATOM 251 O ALA A 17 4.040 2.197 1.942 1.00 0.67 O ATOM 252 CB ALA A 17 4.463 2.530 -1.357 1.00 0.68 C ATOM 0 H ALA A 17 6.808 3.265 -1.122 1.00 0.71 H new ATOM 0 HA ALA A 17 4.337 3.995 0.204 1.00 0.67 H new ATOM 0 HB1 ALA A 17 3.424 2.223 -1.239 1.00 0.68 H new ATOM 0 HB2 ALA A 17 4.535 3.268 -2.156 1.00 0.68 H new ATOM 0 HB3 ALA A 17 5.072 1.662 -1.610 1.00 0.68 H new ATOM 258 N LYS A 18 5.829 1.204 1.104 1.00 0.57 N ATOM 259 CA LYS A 18 5.835 0.182 2.186 1.00 0.63 C ATOM 260 C LYS A 18 6.034 0.895 3.534 1.00 0.70 C ATOM 261 O LYS A 18 5.525 0.471 4.561 1.00 0.88 O ATOM 262 CB LYS A 18 6.960 -0.819 1.901 1.00 0.78 C ATOM 263 CG LYS A 18 7.256 -1.634 3.161 1.00 1.04 C ATOM 264 CD LYS A 18 8.399 -0.960 3.925 1.00 1.27 C ATOM 265 CE LYS A 18 8.521 -1.603 5.304 1.00 1.62 C ATOM 266 NZ LYS A 18 7.317 -1.253 6.104 1.00 2.20 N ATOM 0 H LYS A 18 6.580 1.121 0.419 1.00 0.57 H new ATOM 0 HA LYS A 18 4.892 -0.363 2.226 1.00 0.63 H new ATOM 0 HB2 LYS A 18 6.671 -1.483 1.086 1.00 0.78 H new ATOM 0 HB3 LYS A 18 7.857 -0.290 1.579 1.00 0.78 H new ATOM 0 HG2 LYS A 18 6.367 -1.696 3.789 1.00 1.04 H new ATOM 0 HG3 LYS A 18 7.530 -2.655 2.895 1.00 1.04 H new ATOM 0 HD2 LYS A 18 9.334 -1.067 3.375 1.00 1.27 H new ATOM 0 HD3 LYS A 18 8.208 0.109 4.023 1.00 1.27 H new ATOM 0 HE2 LYS A 18 8.610 -2.685 5.209 1.00 1.62 H new ATOM 0 HE3 LYS A 18 9.423 -1.252 5.806 1.00 1.62 H new ATOM 0 HZ1 LYS A 18 7.611 -0.904 7.039 1.00 2.20 H new ATOM 0 HZ2 LYS A 18 6.776 -0.513 5.612 1.00 2.20 H new ATOM 0 HZ3 LYS A 18 6.721 -2.097 6.222 1.00 2.20 H new ATOM 280 N ASP A 19 6.865 1.901 3.514 1.00 0.69 N ATOM 281 CA ASP A 19 7.085 2.689 4.751 1.00 0.81 C ATOM 282 C ASP A 19 5.747 3.295 5.124 1.00 0.74 C ATOM 283 O ASP A 19 5.275 3.112 6.203 1.00 0.78 O ATOM 284 CB ASP A 19 8.075 3.834 4.523 1.00 0.93 C ATOM 285 CG ASP A 19 7.813 4.897 5.595 1.00 2.10 C ATOM 286 OD1 ASP A 19 8.270 4.685 6.696 1.00 3.53 O ATOM 287 OD2 ASP A 19 7.113 5.842 5.240 1.00 3.07 O ATOM 0 H ASP A 19 7.396 2.207 2.699 1.00 0.69 H new ATOM 0 HA ASP A 19 7.490 2.040 5.527 1.00 0.81 H new ATOM 0 HB2 ASP A 19 9.101 3.471 4.587 1.00 0.93 H new ATOM 0 HB3 ASP A 19 7.948 4.257 3.526 1.00 0.93 H new ATOM 292 N LEU A 20 5.182 4.040 4.209 1.00 0.73 N ATOM 293 CA LEU A 20 3.868 4.664 4.496 1.00 0.76 C ATOM 294 C LEU A 20 2.936 3.599 5.065 1.00 0.68 C ATOM 295 O LEU A 20 2.437 3.753 6.160 1.00 0.73 O ATOM 296 CB LEU A 20 3.292 5.269 3.210 1.00 0.82 C ATOM 297 CG LEU A 20 1.911 5.903 3.478 1.00 0.88 C ATOM 298 CD1 LEU A 20 1.970 6.882 4.662 1.00 1.08 C ATOM 299 CD2 LEU A 20 1.476 6.678 2.231 1.00 0.99 C ATOM 0 H LEU A 20 5.572 4.238 3.288 1.00 0.73 H new ATOM 0 HA LEU A 20 3.979 5.466 5.226 1.00 0.76 H new ATOM 0 HB2 LEU A 20 3.975 6.024 2.819 1.00 0.82 H new ATOM 0 HB3 LEU A 20 3.201 4.496 2.447 1.00 0.82 H new ATOM 0 HG LEU A 20 1.205 5.107 3.715 1.00 0.88 H new ATOM 0 HD11 LEU A 20 0.983 7.313 4.827 1.00 1.08 H new ATOM 0 HD12 LEU A 20 2.288 6.350 5.559 1.00 1.08 H new ATOM 0 HD13 LEU A 20 2.681 7.678 4.441 1.00 1.08 H new ATOM 0 HD21 LEU A 20 0.501 7.132 2.406 1.00 0.99 H new ATOM 0 HD22 LEU A 20 2.206 7.458 2.015 1.00 0.99 H new ATOM 0 HD23 LEU A 20 1.412 5.996 1.383 1.00 0.99 H new ATOM 311 N ALA A 21 2.740 2.531 4.324 1.00 0.60 N ATOM 312 CA ALA A 21 1.863 1.433 4.817 1.00 0.60 C ATOM 313 C ALA A 21 2.209 1.158 6.270 1.00 0.58 C ATOM 314 O ALA A 21 1.340 1.131 7.107 1.00 0.63 O ATOM 315 CB ALA A 21 2.076 0.154 3.996 1.00 0.71 C ATOM 0 H ALA A 21 3.151 2.378 3.403 1.00 0.60 H new ATOM 0 HA ALA A 21 0.820 1.735 4.718 1.00 0.60 H new ATOM 0 HB1 ALA A 21 1.425 -0.634 4.374 1.00 0.71 H new ATOM 0 HB2 ALA A 21 1.839 0.349 2.950 1.00 0.71 H new ATOM 0 HB3 ALA A 21 3.116 -0.163 4.080 1.00 0.71 H new ATOM 321 N GLU A 22 3.471 0.979 6.536 1.00 0.65 N ATOM 322 CA GLU A 22 3.908 0.712 7.929 1.00 0.78 C ATOM 323 C GLU A 22 3.461 1.845 8.858 1.00 0.81 C ATOM 324 O GLU A 22 2.855 1.611 9.897 1.00 0.92 O ATOM 325 CB GLU A 22 5.425 0.628 7.920 1.00 0.94 C ATOM 326 CG GLU A 22 5.913 0.131 9.273 1.00 1.33 C ATOM 327 CD GLU A 22 6.543 -1.240 9.100 1.00 1.72 C ATOM 328 OE1 GLU A 22 7.688 -1.257 8.676 1.00 2.14 O ATOM 329 OE2 GLU A 22 5.823 -2.190 9.336 1.00 3.12 O ATOM 0 H GLU A 22 4.220 1.007 5.845 1.00 0.65 H new ATOM 0 HA GLU A 22 3.466 -0.216 8.292 1.00 0.78 H new ATOM 0 HB2 GLU A 22 5.758 -0.046 7.131 1.00 0.94 H new ATOM 0 HB3 GLU A 22 5.853 1.607 7.704 1.00 0.94 H new ATOM 0 HG2 GLU A 22 6.639 0.829 9.691 1.00 1.33 H new ATOM 0 HG3 GLU A 22 5.082 0.077 9.976 1.00 1.33 H new ATOM 336 N LYS A 23 3.799 3.047 8.456 1.00 0.84 N ATOM 337 CA LYS A 23 3.439 4.263 9.246 1.00 1.02 C ATOM 338 C LYS A 23 1.935 4.280 9.547 1.00 1.08 C ATOM 339 O LYS A 23 1.466 5.055 10.361 1.00 1.92 O ATOM 340 CB LYS A 23 3.823 5.500 8.423 1.00 1.15 C ATOM 341 CG LYS A 23 3.986 6.724 9.341 1.00 1.44 C ATOM 342 CD LYS A 23 3.361 7.973 8.690 1.00 2.54 C ATOM 343 CE LYS A 23 1.832 7.869 8.737 1.00 3.57 C ATOM 344 NZ LYS A 23 1.396 7.738 10.149 1.00 3.67 N ATOM 0 H LYS A 23 4.318 3.238 7.599 1.00 0.84 H new ATOM 0 HA LYS A 23 3.974 4.259 10.196 1.00 1.02 H new ATOM 0 HB2 LYS A 23 4.753 5.313 7.886 1.00 1.15 H new ATOM 0 HB3 LYS A 23 3.057 5.699 7.674 1.00 1.15 H new ATOM 0 HG2 LYS A 23 3.510 6.531 10.302 1.00 1.44 H new ATOM 0 HG3 LYS A 23 5.043 6.900 9.538 1.00 1.44 H new ATOM 0 HD2 LYS A 23 3.690 8.871 9.213 1.00 2.54 H new ATOM 0 HD3 LYS A 23 3.698 8.064 7.657 1.00 2.54 H new ATOM 0 HE2 LYS A 23 1.381 8.753 8.285 1.00 3.57 H new ATOM 0 HE3 LYS A 23 1.496 7.008 8.159 1.00 3.57 H new ATOM 0 HZ1 LYS A 23 0.957 6.806 10.292 1.00 3.67 H new ATOM 0 HZ2 LYS A 23 2.220 7.833 10.777 1.00 3.67 H new ATOM 0 HZ3 LYS A 23 0.705 8.483 10.370 1.00 3.67 H new ATOM 358 N LEU A 24 1.204 3.490 8.807 1.00 0.66 N ATOM 359 CA LEU A 24 -0.265 3.399 9.041 1.00 0.65 C ATOM 360 C LEU A 24 -0.545 2.161 9.900 1.00 0.62 C ATOM 361 O LEU A 24 -1.185 2.265 10.929 1.00 0.70 O ATOM 362 CB LEU A 24 -1.006 3.287 7.697 1.00 0.67 C ATOM 363 CG LEU A 24 -0.749 4.546 6.847 1.00 1.02 C ATOM 364 CD1 LEU A 24 -1.388 4.352 5.471 1.00 1.03 C ATOM 365 CD2 LEU A 24 -1.379 5.777 7.518 1.00 1.48 C ATOM 0 H LEU A 24 1.561 2.905 8.052 1.00 0.66 H new ATOM 0 HA LEU A 24 -0.616 4.294 9.554 1.00 0.65 H new ATOM 0 HB2 LEU A 24 -0.669 2.400 7.160 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -2.075 3.168 7.871 1.00 0.67 H new ATOM 0 HG LEU A 24 0.326 4.701 6.751 1.00 1.02 H new ATOM 0 HD11 LEU A 24 -1.212 5.238 4.860 1.00 1.03 H new ATOM 0 HD12 LEU A 24 -0.947 3.482 4.984 1.00 1.03 H new ATOM 0 HD13 LEU A 24 -2.461 4.198 5.587 1.00 1.03 H new ATOM 0 HD21 LEU A 24 -1.191 6.660 6.908 1.00 1.48 H new ATOM 0 HD22 LEU A 24 -2.454 5.627 7.617 1.00 1.48 H new ATOM 0 HD23 LEU A 24 -0.940 5.918 8.506 1.00 1.48 H new ATOM 377 N SER A 25 -0.061 1.028 9.466 1.00 0.59 N ATOM 378 CA SER A 25 -0.266 -0.242 10.236 1.00 0.68 C ATOM 379 C SER A 25 -0.040 -0.062 11.735 1.00 0.82 C ATOM 380 O SER A 25 -0.697 -0.698 12.529 1.00 0.99 O ATOM 381 CB SER A 25 0.713 -1.306 9.738 1.00 0.79 C ATOM 382 OG SER A 25 0.272 -1.595 8.423 1.00 1.53 O ATOM 0 H SER A 25 0.473 0.923 8.603 1.00 0.59 H new ATOM 0 HA SER A 25 -1.301 -0.543 10.076 1.00 0.68 H new ATOM 0 HB2 SER A 25 1.739 -0.937 9.742 1.00 0.79 H new ATOM 0 HB3 SER A 25 0.691 -2.194 10.370 1.00 0.79 H new ATOM 0 HG SER A 25 -0.630 -1.977 8.457 1.00 1.53 H new ATOM 388 N ASN A 26 0.902 0.775 12.079 1.00 0.93 N ATOM 389 CA ASN A 26 1.210 0.988 13.528 1.00 1.16 C ATOM 390 C ASN A 26 0.703 2.324 14.086 1.00 1.24 C ATOM 391 O ASN A 26 1.213 2.791 15.083 1.00 1.82 O ATOM 392 CB ASN A 26 2.725 0.917 13.669 1.00 1.43 C ATOM 393 CG ASN A 26 3.165 -0.476 13.232 1.00 2.51 C ATOM 394 OD1 ASN A 26 3.107 -1.419 13.987 1.00 2.98 O ATOM 395 ND2 ASN A 26 3.564 -0.652 12.012 1.00 3.64 N ATOM 0 H ASN A 26 1.469 1.318 11.427 1.00 0.93 H new ATOM 0 HA ASN A 26 0.694 0.220 14.104 1.00 1.16 H new ATOM 0 HB2 ASN A 26 3.203 1.680 13.054 1.00 1.43 H new ATOM 0 HB3 ASN A 26 3.023 1.106 14.700 1.00 1.43 H new ATOM 0 HD21 ASN A 26 3.828 -1.584 11.691 1.00 3.64 H new ATOM 0 HD22 ASN A 26 3.614 0.141 11.372 1.00 3.64 H new ATOM 402 N GLU A 27 -0.275 2.904 13.450 1.00 1.14 N ATOM 403 CA GLU A 27 -0.841 4.197 13.942 1.00 1.31 C ATOM 404 C GLU A 27 -2.375 4.124 13.984 1.00 1.36 C ATOM 405 O GLU A 27 -3.014 4.834 14.737 1.00 1.74 O ATOM 406 CB GLU A 27 -0.384 5.339 13.020 1.00 1.46 C ATOM 407 CG GLU A 27 0.943 5.915 13.555 1.00 2.31 C ATOM 408 CD GLU A 27 1.365 7.162 12.769 1.00 2.60 C ATOM 409 OE1 GLU A 27 0.497 7.986 12.511 1.00 2.86 O ATOM 410 OE2 GLU A 27 2.543 7.232 12.449 1.00 3.27 O ATOM 0 H GLU A 27 -0.712 2.538 12.604 1.00 1.14 H new ATOM 0 HA GLU A 27 -0.479 4.387 14.953 1.00 1.31 H new ATOM 0 HB2 GLU A 27 -0.252 4.971 12.002 1.00 1.46 H new ATOM 0 HB3 GLU A 27 -1.145 6.119 12.981 1.00 1.46 H new ATOM 0 HG2 GLU A 27 0.834 6.167 14.610 1.00 2.31 H new ATOM 0 HG3 GLU A 27 1.724 5.158 13.487 1.00 2.31 H new ATOM 417 N ARG A 28 -2.932 3.303 13.133 1.00 1.17 N ATOM 418 CA ARG A 28 -4.420 3.157 13.106 1.00 1.30 C ATOM 419 C ARG A 28 -4.797 1.681 13.315 1.00 1.31 C ATOM 420 O ARG A 28 -3.967 0.903 13.748 1.00 1.88 O ATOM 421 CB ARG A 28 -4.928 3.670 11.749 1.00 1.48 C ATOM 422 CG ARG A 28 -6.321 4.295 11.922 1.00 1.93 C ATOM 423 CD ARG A 28 -6.343 5.689 11.279 1.00 2.04 C ATOM 424 NE ARG A 28 -7.530 6.423 11.807 1.00 3.09 N ATOM 425 CZ ARG A 28 -8.506 6.717 11.010 1.00 3.51 C ATOM 426 NH1 ARG A 28 -9.304 5.764 10.636 1.00 4.11 N ATOM 427 NH2 ARG A 28 -8.640 7.930 10.589 1.00 4.30 N ATOM 0 H ARG A 28 -2.426 2.730 12.458 1.00 1.17 H new ATOM 0 HA ARG A 28 -4.880 3.737 13.906 1.00 1.30 H new ATOM 0 HB2 ARG A 28 -4.235 4.408 11.345 1.00 1.48 H new ATOM 0 HB3 ARG A 28 -4.973 2.850 11.033 1.00 1.48 H new ATOM 0 HG2 ARG A 28 -7.076 3.659 11.461 1.00 1.93 H new ATOM 0 HG3 ARG A 28 -6.569 4.368 12.981 1.00 1.93 H new ATOM 0 HD2 ARG A 28 -5.426 6.230 11.512 1.00 2.04 H new ATOM 0 HD3 ARG A 28 -6.398 5.607 10.193 1.00 2.04 H new ATOM 0 HE ARG A 28 -7.572 6.691 12.790 1.00 3.09 H new ATOM 0 HH11 ARG A 28 -9.153 4.812 10.970 1.00 4.11 H new ATOM 0 HH12 ARG A 28 -10.082 5.967 10.008 1.00 4.11 H new ATOM 0 HH21 ARG A 28 -7.979 8.648 10.885 1.00 4.30 H new ATOM 0 HH22 ARG A 28 -9.407 8.170 9.961 1.00 4.30 H new ATOM 441 N ASP A 29 -6.025 1.324 13.001 1.00 1.66 N ATOM 442 CA ASP A 29 -6.479 -0.065 13.164 1.00 1.95 C ATOM 443 C ASP A 29 -6.907 -0.540 11.770 1.00 2.03 C ATOM 444 O ASP A 29 -6.820 0.207 10.807 1.00 3.65 O ATOM 445 CB ASP A 29 -7.646 -0.079 14.176 1.00 2.41 C ATOM 446 CG ASP A 29 -7.996 -1.498 14.648 1.00 3.57 C ATOM 447 OD1 ASP A 29 -7.187 -2.388 14.429 1.00 4.69 O ATOM 448 OD2 ASP A 29 -9.056 -1.603 15.240 1.00 4.36 O ATOM 0 H ASP A 29 -6.731 1.962 12.633 1.00 1.66 H new ATOM 0 HA ASP A 29 -5.708 -0.730 13.552 1.00 1.95 H new ATOM 0 HB2 ASP A 29 -7.382 0.533 15.039 1.00 2.41 H new ATOM 0 HB3 ASP A 29 -8.525 0.376 13.719 1.00 2.41 H new ATOM 453 N ASP A 30 -7.338 -1.750 11.726 1.00 1.53 N ATOM 454 CA ASP A 30 -7.777 -2.431 10.451 1.00 1.53 C ATOM 455 C ASP A 30 -6.800 -2.159 9.280 1.00 1.33 C ATOM 456 O ASP A 30 -7.189 -2.199 8.126 1.00 1.99 O ATOM 457 CB ASP A 30 -9.202 -1.962 10.066 1.00 1.80 C ATOM 458 CG ASP A 30 -9.653 -2.672 8.777 1.00 2.84 C ATOM 459 OD1 ASP A 30 -9.686 -3.895 8.793 1.00 3.53 O ATOM 460 OD2 ASP A 30 -9.899 -1.967 7.811 1.00 3.60 O ATOM 0 H ASP A 30 -7.416 -2.343 12.552 1.00 1.53 H new ATOM 0 HA ASP A 30 -7.778 -3.505 10.637 1.00 1.53 H new ATOM 0 HB2 ASP A 30 -9.898 -2.181 10.876 1.00 1.80 H new ATOM 0 HB3 ASP A 30 -9.212 -0.882 9.920 1.00 1.80 H new ATOM 465 N PHE A 31 -5.538 -1.970 9.557 1.00 1.01 N ATOM 466 CA PHE A 31 -4.619 -1.698 8.410 1.00 0.81 C ATOM 467 C PHE A 31 -3.435 -2.667 8.347 1.00 0.81 C ATOM 468 O PHE A 31 -2.352 -2.373 8.818 1.00 0.98 O ATOM 469 CB PHE A 31 -4.127 -0.242 8.484 1.00 0.68 C ATOM 470 CG PHE A 31 -3.451 0.091 7.145 1.00 0.55 C ATOM 471 CD1 PHE A 31 -4.204 0.471 6.050 1.00 0.68 C ATOM 472 CD2 PHE A 31 -2.099 -0.108 6.986 1.00 0.52 C ATOM 473 CE1 PHE A 31 -3.605 0.634 4.814 1.00 0.71 C ATOM 474 CE2 PHE A 31 -1.502 0.050 5.760 1.00 0.54 C ATOM 475 CZ PHE A 31 -2.252 0.420 4.671 1.00 0.62 C ATOM 0 H PHE A 31 -5.115 -1.990 10.485 1.00 1.01 H new ATOM 0 HA PHE A 31 -5.186 -1.854 7.492 1.00 0.81 H new ATOM 0 HB2 PHE A 31 -4.961 0.435 8.670 1.00 0.68 H new ATOM 0 HB3 PHE A 31 -3.425 -0.117 9.308 1.00 0.68 H new ATOM 0 HD1 PHE A 31 -5.265 0.641 6.160 1.00 0.68 H new ATOM 0 HD2 PHE A 31 -1.499 -0.393 7.838 1.00 0.52 H new ATOM 0 HE1 PHE A 31 -4.198 0.929 3.961 1.00 0.71 H new ATOM 0 HE2 PHE A 31 -0.440 -0.117 5.652 1.00 0.54 H new ATOM 0 HZ PHE A 31 -1.783 0.543 3.706 1.00 0.62 H new ATOM 485 N GLN A 32 -3.657 -3.790 7.716 1.00 0.82 N ATOM 486 CA GLN A 32 -2.560 -4.790 7.570 1.00 0.83 C ATOM 487 C GLN A 32 -2.069 -4.638 6.131 1.00 0.79 C ATOM 488 O GLN A 32 -2.877 -4.408 5.253 1.00 1.24 O ATOM 489 CB GLN A 32 -3.100 -6.220 7.740 1.00 0.99 C ATOM 490 CG GLN A 32 -3.804 -6.388 9.093 1.00 1.15 C ATOM 491 CD GLN A 32 -4.463 -7.772 9.135 1.00 2.20 C ATOM 492 OE1 GLN A 32 -5.436 -8.023 8.458 1.00 2.81 O ATOM 493 NE2 GLN A 32 -3.958 -8.697 9.888 1.00 3.42 N ATOM 0 H GLN A 32 -4.548 -4.057 7.297 1.00 0.82 H new ATOM 0 HA GLN A 32 -1.782 -4.627 8.316 1.00 0.83 H new ATOM 0 HB2 GLN A 32 -3.797 -6.447 6.933 1.00 0.99 H new ATOM 0 HB3 GLN A 32 -2.280 -6.933 7.663 1.00 0.99 H new ATOM 0 HG2 GLN A 32 -3.087 -6.286 9.907 1.00 1.15 H new ATOM 0 HG3 GLN A 32 -4.553 -5.608 9.229 1.00 1.15 H new ATOM 0 HE21 GLN A 32 -3.139 -8.497 10.462 1.00 3.42 H new ATOM 0 HE22 GLN A 32 -4.379 -9.626 9.907 1.00 3.42 H new ATOM 502 N TYR A 33 -0.794 -4.740 5.892 1.00 0.69 N ATOM 503 CA TYR A 33 -0.317 -4.603 4.484 1.00 0.63 C ATOM 504 C TYR A 33 0.662 -5.727 4.165 1.00 0.67 C ATOM 505 O TYR A 33 1.304 -6.244 5.058 1.00 0.78 O ATOM 506 CB TYR A 33 0.373 -3.244 4.275 1.00 0.66 C ATOM 507 CG TYR A 33 1.742 -3.208 4.969 1.00 0.61 C ATOM 508 CD1 TYR A 33 1.836 -3.079 6.337 1.00 0.64 C ATOM 509 CD2 TYR A 33 2.902 -3.300 4.226 1.00 0.76 C ATOM 510 CE1 TYR A 33 3.065 -3.036 6.957 1.00 0.75 C ATOM 511 CE2 TYR A 33 4.133 -3.263 4.844 1.00 0.86 C ATOM 512 CZ TYR A 33 4.224 -3.127 6.217 1.00 0.84 C ATOM 513 OH TYR A 33 5.457 -3.077 6.834 1.00 1.07 O ATOM 0 H TYR A 33 -0.072 -4.909 6.592 1.00 0.69 H new ATOM 0 HA TYR A 33 -1.177 -4.663 3.817 1.00 0.63 H new ATOM 0 HB2 TYR A 33 0.497 -3.056 3.209 1.00 0.66 H new ATOM 0 HB3 TYR A 33 -0.259 -2.447 4.668 1.00 0.66 H new ATOM 0 HD1 TYR A 33 0.936 -3.011 6.930 1.00 0.64 H new ATOM 0 HD2 TYR A 33 2.844 -3.402 3.152 1.00 0.76 H new ATOM 0 HE1 TYR A 33 3.121 -2.930 8.030 1.00 0.75 H new ATOM 0 HE2 TYR A 33 5.033 -3.341 4.252 1.00 0.86 H new ATOM 0 HH TYR A 33 5.335 -2.990 7.802 1.00 1.07 H new ATOM 523 N GLN A 34 0.745 -6.063 2.909 1.00 0.62 N ATOM 524 CA GLN A 34 1.687 -7.137 2.465 1.00 0.67 C ATOM 525 C GLN A 34 2.645 -6.509 1.437 1.00 0.60 C ATOM 526 O GLN A 34 2.232 -5.680 0.631 1.00 0.63 O ATOM 527 CB GLN A 34 0.858 -8.292 1.855 1.00 0.78 C ATOM 528 CG GLN A 34 1.695 -9.584 1.740 1.00 1.06 C ATOM 529 CD GLN A 34 2.276 -9.704 0.330 1.00 2.60 C ATOM 530 OE1 GLN A 34 2.816 -8.765 -0.182 1.00 4.00 O ATOM 531 NE2 GLN A 34 2.184 -10.829 -0.324 1.00 3.44 N ATOM 0 H GLN A 34 0.197 -5.638 2.161 1.00 0.62 H new ATOM 0 HA GLN A 34 2.272 -7.545 3.289 1.00 0.67 H new ATOM 0 HB2 GLN A 34 -0.020 -8.479 2.474 1.00 0.78 H new ATOM 0 HB3 GLN A 34 0.497 -8.001 0.869 1.00 0.78 H new ATOM 0 HG2 GLN A 34 2.500 -9.573 2.475 1.00 1.06 H new ATOM 0 HG3 GLN A 34 1.073 -10.451 1.962 1.00 1.06 H new ATOM 0 HE21 GLN A 34 1.726 -11.633 0.106 1.00 3.44 H new ATOM 0 HE22 GLN A 34 2.570 -10.905 -1.265 1.00 3.44 H new ATOM 540 N TYR A 35 3.893 -6.907 1.470 1.00 0.60 N ATOM 541 CA TYR A 35 4.859 -6.313 0.501 1.00 0.63 C ATOM 542 C TYR A 35 4.981 -7.222 -0.707 1.00 0.65 C ATOM 543 O TYR A 35 5.465 -8.334 -0.601 1.00 1.02 O ATOM 544 CB TYR A 35 6.243 -6.153 1.144 1.00 0.75 C ATOM 545 CG TYR A 35 7.166 -5.400 0.166 1.00 0.84 C ATOM 546 CD1 TYR A 35 7.685 -6.024 -0.951 1.00 0.80 C ATOM 547 CD2 TYR A 35 7.459 -4.071 0.372 1.00 1.31 C ATOM 548 CE1 TYR A 35 8.481 -5.326 -1.842 1.00 0.92 C ATOM 549 CE2 TYR A 35 8.260 -3.378 -0.515 1.00 1.52 C ATOM 550 CZ TYR A 35 8.777 -3.998 -1.631 1.00 1.22 C ATOM 551 OH TYR A 35 9.583 -3.302 -2.512 1.00 1.49 O ATOM 0 H TYR A 35 4.277 -7.602 2.111 1.00 0.60 H new ATOM 0 HA TYR A 35 4.491 -5.332 0.202 1.00 0.63 H new ATOM 0 HB2 TYR A 35 6.161 -5.605 2.082 1.00 0.75 H new ATOM 0 HB3 TYR A 35 6.663 -7.130 1.382 1.00 0.75 H new ATOM 0 HD1 TYR A 35 7.468 -7.066 -1.131 1.00 0.80 H new ATOM 0 HD2 TYR A 35 7.058 -3.564 1.237 1.00 1.31 H new ATOM 0 HE1 TYR A 35 8.875 -5.829 -2.713 1.00 0.92 H new ATOM 0 HE2 TYR A 35 8.484 -2.338 -0.331 1.00 1.52 H new ATOM 0 HH TYR A 35 9.682 -2.377 -2.204 1.00 1.49 H new ATOM 561 N VAL A 36 4.628 -6.683 -1.841 1.00 0.53 N ATOM 562 CA VAL A 36 4.688 -7.461 -3.095 1.00 0.66 C ATOM 563 C VAL A 36 5.830 -6.923 -3.967 1.00 0.70 C ATOM 564 O VAL A 36 5.990 -5.721 -4.115 1.00 0.76 O ATOM 565 CB VAL A 36 3.320 -7.323 -3.787 1.00 0.82 C ATOM 566 CG1 VAL A 36 3.408 -7.767 -5.251 1.00 0.67 C ATOM 567 CG2 VAL A 36 2.323 -8.225 -3.067 1.00 1.01 C ATOM 0 H VAL A 36 4.297 -5.724 -1.946 1.00 0.53 H new ATOM 0 HA VAL A 36 4.890 -8.516 -2.911 1.00 0.66 H new ATOM 0 HB VAL A 36 3.006 -6.280 -3.751 1.00 0.82 H new ATOM 0 HG11 VAL A 36 2.431 -7.662 -5.722 1.00 0.67 H new ATOM 0 HG12 VAL A 36 4.133 -7.146 -5.777 1.00 0.67 H new ATOM 0 HG13 VAL A 36 3.723 -8.810 -5.297 1.00 0.67 H new ATOM 0 HG21 VAL A 36 1.346 -8.141 -3.543 1.00 1.01 H new ATOM 0 HG22 VAL A 36 2.664 -9.259 -3.119 1.00 1.01 H new ATOM 0 HG23 VAL A 36 2.245 -7.921 -2.023 1.00 1.01 H new ATOM 577 N ASP A 37 6.577 -7.844 -4.526 1.00 0.69 N ATOM 578 CA ASP A 37 7.747 -7.508 -5.409 1.00 0.74 C ATOM 579 C ASP A 37 7.488 -8.080 -6.810 1.00 0.80 C ATOM 580 O ASP A 37 8.343 -8.673 -7.432 1.00 1.89 O ATOM 581 CB ASP A 37 9.000 -8.147 -4.785 1.00 0.73 C ATOM 582 CG ASP A 37 10.197 -8.068 -5.732 1.00 0.87 C ATOM 583 OD1 ASP A 37 10.703 -6.976 -5.885 1.00 1.99 O ATOM 584 OD2 ASP A 37 10.541 -9.105 -6.280 1.00 1.82 O ATOM 0 H ASP A 37 6.422 -8.845 -4.405 1.00 0.69 H new ATOM 0 HA ASP A 37 7.888 -6.431 -5.494 1.00 0.74 H new ATOM 0 HB2 ASP A 37 9.240 -7.642 -3.850 1.00 0.73 H new ATOM 0 HB3 ASP A 37 8.795 -9.189 -4.541 1.00 0.73 H new ATOM 589 N ILE A 38 6.285 -7.870 -7.262 1.00 0.97 N ATOM 590 CA ILE A 38 5.810 -8.355 -8.602 1.00 1.12 C ATOM 591 C ILE A 38 6.468 -9.667 -9.068 1.00 1.41 C ATOM 592 O ILE A 38 5.872 -10.726 -9.027 1.00 2.00 O ATOM 593 CB ILE A 38 6.015 -7.238 -9.660 1.00 1.07 C ATOM 594 CG1 ILE A 38 7.325 -6.465 -9.408 1.00 1.30 C ATOM 595 CG2 ILE A 38 4.841 -6.253 -9.565 1.00 1.13 C ATOM 596 CD1 ILE A 38 7.894 -5.954 -10.735 1.00 1.28 C ATOM 0 H ILE A 38 5.575 -7.359 -6.738 1.00 0.97 H new ATOM 0 HA ILE A 38 4.751 -8.586 -8.490 1.00 1.12 H new ATOM 0 HB ILE A 38 6.066 -7.698 -10.647 1.00 1.07 H new ATOM 0 HG12 ILE A 38 7.139 -5.627 -8.736 1.00 1.30 H new ATOM 0 HG13 ILE A 38 8.051 -7.113 -8.917 1.00 1.30 H new ATOM 0 HG21 ILE A 38 4.970 -5.461 -10.303 1.00 1.13 H new ATOM 0 HG22 ILE A 38 3.907 -6.780 -9.758 1.00 1.13 H new ATOM 0 HG23 ILE A 38 4.812 -5.817 -8.566 1.00 1.13 H new ATOM 0 HD11 ILE A 38 8.819 -5.409 -10.548 1.00 1.28 H new ATOM 0 HD12 ILE A 38 8.097 -6.799 -11.393 1.00 1.28 H new ATOM 0 HD13 ILE A 38 7.171 -5.290 -11.209 1.00 1.28 H new ATOM 608 N ARG A 39 7.689 -9.567 -9.482 1.00 1.45 N ATOM 609 CA ARG A 39 8.437 -10.760 -9.970 1.00 1.73 C ATOM 610 C ARG A 39 8.528 -11.832 -8.878 1.00 1.41 C ATOM 611 O ARG A 39 8.227 -12.992 -9.133 1.00 2.11 O ATOM 612 CB ARG A 39 9.839 -10.306 -10.394 1.00 2.09 C ATOM 613 CG ARG A 39 10.595 -11.452 -11.087 1.00 3.16 C ATOM 614 CD ARG A 39 11.359 -12.319 -10.062 1.00 3.67 C ATOM 615 NE ARG A 39 10.693 -13.654 -9.942 1.00 5.28 N ATOM 616 CZ ARG A 39 10.949 -14.438 -8.931 1.00 6.03 C ATOM 617 NH1 ARG A 39 12.189 -14.734 -8.674 1.00 6.42 N ATOM 618 NH2 ARG A 39 9.948 -14.875 -8.228 1.00 6.96 N ATOM 0 H ARG A 39 8.217 -8.695 -9.506 1.00 1.45 H new ATOM 0 HA ARG A 39 7.913 -11.201 -10.818 1.00 1.73 H new ATOM 0 HB2 ARG A 39 9.762 -9.454 -11.069 1.00 2.09 H new ATOM 0 HB3 ARG A 39 10.398 -9.971 -9.520 1.00 2.09 H new ATOM 0 HG2 ARG A 39 9.891 -12.074 -11.640 1.00 3.16 H new ATOM 0 HG3 ARG A 39 11.296 -11.041 -11.814 1.00 3.16 H new ATOM 0 HD2 ARG A 39 12.395 -12.445 -10.377 1.00 3.67 H new ATOM 0 HD3 ARG A 39 11.378 -11.822 -9.092 1.00 3.67 H new ATOM 0 HE ARG A 39 10.032 -13.954 -10.658 1.00 5.28 H new ATOM 0 HH11 ARG A 39 12.935 -14.355 -9.257 1.00 6.42 H new ATOM 0 HH12 ARG A 39 12.415 -15.345 -7.889 1.00 6.42 H new ATOM 0 HH21 ARG A 39 8.996 -14.604 -8.473 1.00 6.96 H new ATOM 0 HH22 ARG A 39 10.114 -15.490 -7.431 1.00 6.96 H new ATOM 632 N ALA A 40 8.973 -11.440 -7.698 1.00 0.87 N ATOM 633 CA ALA A 40 9.081 -12.436 -6.586 1.00 0.99 C ATOM 634 C ALA A 40 7.876 -13.369 -6.595 1.00 1.08 C ATOM 635 O ALA A 40 8.051 -14.575 -6.635 1.00 1.27 O ATOM 636 CB ALA A 40 9.145 -11.733 -5.227 1.00 1.20 C ATOM 0 H ALA A 40 9.260 -10.489 -7.465 1.00 0.87 H new ATOM 0 HA ALA A 40 9.996 -13.007 -6.740 1.00 0.99 H new ATOM 0 HB1 ALA A 40 9.223 -12.478 -4.435 1.00 1.20 H new ATOM 0 HB2 ALA A 40 10.016 -11.078 -5.197 1.00 1.20 H new ATOM 0 HB3 ALA A 40 8.241 -11.141 -5.080 1.00 1.20 H new ATOM 642 N GLU A 41 6.695 -12.787 -6.617 1.00 1.13 N ATOM 643 CA GLU A 41 5.453 -13.621 -6.614 1.00 1.58 C ATOM 644 C GLU A 41 5.229 -14.256 -7.994 1.00 1.77 C ATOM 645 O GLU A 41 4.875 -15.415 -8.099 1.00 2.22 O ATOM 646 CB GLU A 41 4.240 -12.739 -6.248 1.00 1.69 C ATOM 647 CG GLU A 41 4.431 -12.118 -4.844 1.00 1.99 C ATOM 648 CD GLU A 41 3.090 -11.613 -4.265 1.00 2.05 C ATOM 649 OE1 GLU A 41 2.178 -11.383 -5.052 1.00 2.56 O ATOM 650 OE2 GLU A 41 3.053 -11.469 -3.050 1.00 3.17 O ATOM 0 H GLU A 41 6.542 -11.779 -6.637 1.00 1.13 H new ATOM 0 HA GLU A 41 5.566 -14.416 -5.877 1.00 1.58 H new ATOM 0 HB2 GLU A 41 4.120 -11.949 -6.989 1.00 1.69 H new ATOM 0 HB3 GLU A 41 3.328 -13.336 -6.268 1.00 1.69 H new ATOM 0 HG2 GLU A 41 4.863 -12.859 -4.172 1.00 1.99 H new ATOM 0 HG3 GLU A 41 5.138 -11.291 -4.903 1.00 1.99 H new ATOM 657 N GLY A 42 5.430 -13.476 -9.019 1.00 1.67 N ATOM 658 CA GLY A 42 5.244 -13.987 -10.409 1.00 2.03 C ATOM 659 C GLY A 42 4.194 -13.155 -11.139 1.00 2.13 C ATOM 660 O GLY A 42 3.527 -13.645 -12.026 1.00 2.20 O ATOM 0 H GLY A 42 5.717 -12.499 -8.955 1.00 1.67 H new ATOM 0 HA2 GLY A 42 6.190 -13.947 -10.949 1.00 2.03 H new ATOM 0 HA3 GLY A 42 4.936 -15.032 -10.382 1.00 2.03 H new ATOM 664 N ILE A 43 4.113 -11.905 -10.782 1.00 2.18 N ATOM 665 CA ILE A 43 3.130 -10.994 -11.421 1.00 2.29 C ATOM 666 C ILE A 43 3.857 -10.191 -12.505 1.00 2.30 C ATOM 667 O ILE A 43 5.047 -9.945 -12.404 1.00 2.23 O ATOM 668 CB ILE A 43 2.573 -10.066 -10.328 1.00 2.20 C ATOM 669 CG1 ILE A 43 1.925 -10.934 -9.232 1.00 2.26 C ATOM 670 CG2 ILE A 43 1.522 -9.126 -10.932 1.00 2.29 C ATOM 671 CD1 ILE A 43 1.505 -10.067 -8.041 1.00 2.32 C ATOM 0 H ILE A 43 4.695 -11.472 -10.065 1.00 2.18 H new ATOM 0 HA ILE A 43 2.307 -11.540 -11.882 1.00 2.29 H new ATOM 0 HB ILE A 43 3.378 -9.467 -9.903 1.00 2.20 H new ATOM 0 HG12 ILE A 43 1.056 -11.452 -9.637 1.00 2.26 H new ATOM 0 HG13 ILE A 43 2.628 -11.699 -8.903 1.00 2.26 H new ATOM 0 HG21 ILE A 43 1.130 -8.471 -10.154 1.00 2.29 H new ATOM 0 HG22 ILE A 43 1.980 -8.524 -11.717 1.00 2.29 H new ATOM 0 HG23 ILE A 43 0.708 -9.714 -11.355 1.00 2.29 H new ATOM 0 HD11 ILE A 43 1.049 -10.696 -7.276 1.00 2.32 H new ATOM 0 HD12 ILE A 43 2.382 -9.569 -7.626 1.00 2.32 H new ATOM 0 HD13 ILE A 43 0.785 -9.318 -8.372 1.00 2.32 H new ATOM 683 N THR A 44 3.114 -9.785 -13.507 1.00 2.44 N ATOM 684 CA THR A 44 3.715 -9.012 -14.638 1.00 2.51 C ATOM 685 C THR A 44 3.007 -7.659 -14.865 1.00 2.53 C ATOM 686 O THR A 44 2.054 -7.328 -14.176 1.00 3.15 O ATOM 687 CB THR A 44 3.592 -9.878 -15.883 1.00 2.75 C ATOM 688 OG1 THR A 44 2.195 -10.085 -16.044 1.00 2.92 O ATOM 689 CG2 THR A 44 4.175 -11.266 -15.635 1.00 2.96 C ATOM 0 H THR A 44 2.112 -9.957 -13.589 1.00 2.44 H new ATOM 0 HA THR A 44 4.755 -8.781 -14.407 1.00 2.51 H new ATOM 0 HB THR A 44 4.097 -9.406 -16.726 1.00 2.75 H new ATOM 0 HG1 THR A 44 1.990 -10.208 -16.994 1.00 2.92 H new ATOM 0 HG21 THR A 44 4.077 -11.869 -16.538 1.00 2.96 H new ATOM 0 HG22 THR A 44 5.229 -11.176 -15.372 1.00 2.96 H new ATOM 0 HG23 THR A 44 3.637 -11.746 -14.818 1.00 2.96 H new ATOM 697 N LYS A 45 3.420 -6.947 -15.897 1.00 2.22 N ATOM 698 CA LYS A 45 2.802 -5.612 -16.181 1.00 2.26 C ATOM 699 C LYS A 45 1.520 -5.775 -16.993 1.00 2.34 C ATOM 700 O LYS A 45 0.893 -4.800 -17.362 1.00 2.48 O ATOM 701 CB LYS A 45 3.783 -4.739 -16.971 1.00 2.45 C ATOM 702 CG LYS A 45 5.037 -4.482 -16.122 1.00 3.23 C ATOM 703 CD LYS A 45 5.838 -3.280 -16.664 1.00 3.55 C ATOM 704 CE LYS A 45 6.312 -3.530 -18.104 1.00 4.40 C ATOM 705 NZ LYS A 45 5.219 -3.248 -19.084 1.00 4.72 N ATOM 0 H LYS A 45 4.152 -7.234 -16.547 1.00 2.22 H new ATOM 0 HA LYS A 45 2.566 -5.137 -15.229 1.00 2.26 H new ATOM 0 HB2 LYS A 45 4.057 -5.233 -17.903 1.00 2.45 H new ATOM 0 HB3 LYS A 45 3.311 -3.793 -17.238 1.00 2.45 H new ATOM 0 HG2 LYS A 45 4.748 -4.294 -15.088 1.00 3.23 H new ATOM 0 HG3 LYS A 45 5.667 -5.372 -16.120 1.00 3.23 H new ATOM 0 HD2 LYS A 45 5.219 -2.384 -16.633 1.00 3.55 H new ATOM 0 HD3 LYS A 45 6.699 -3.095 -16.022 1.00 3.55 H new ATOM 0 HE2 LYS A 45 7.173 -2.898 -18.322 1.00 4.40 H new ATOM 0 HE3 LYS A 45 6.641 -4.564 -18.208 1.00 4.40 H new ATOM 0 HZ1 LYS A 45 4.844 -4.145 -19.453 1.00 4.72 H new ATOM 0 HZ2 LYS A 45 4.456 -2.722 -18.611 1.00 4.72 H new ATOM 0 HZ3 LYS A 45 5.595 -2.680 -19.870 1.00 4.72 H new ATOM 719 N GLU A 46 1.169 -7.000 -17.253 1.00 2.70 N ATOM 720 CA GLU A 46 -0.079 -7.285 -18.009 1.00 2.83 C ATOM 721 C GLU A 46 -1.095 -7.709 -16.951 1.00 2.71 C ATOM 722 O GLU A 46 -2.221 -7.249 -16.935 1.00 2.84 O ATOM 723 CB GLU A 46 0.159 -8.415 -19.027 1.00 3.02 C ATOM 724 CG GLU A 46 1.493 -8.188 -19.769 1.00 3.09 C ATOM 725 CD GLU A 46 2.641 -8.717 -18.909 1.00 3.73 C ATOM 726 OE1 GLU A 46 2.636 -9.914 -18.700 1.00 5.05 O ATOM 727 OE2 GLU A 46 3.420 -7.891 -18.455 1.00 3.60 O ATOM 0 H GLU A 46 1.699 -7.825 -16.971 1.00 2.70 H new ATOM 0 HA GLU A 46 -0.425 -6.422 -18.578 1.00 2.83 H new ATOM 0 HB2 GLU A 46 0.177 -9.378 -18.516 1.00 3.02 H new ATOM 0 HB3 GLU A 46 -0.663 -8.450 -19.742 1.00 3.02 H new ATOM 0 HG2 GLU A 46 1.479 -8.698 -20.732 1.00 3.09 H new ATOM 0 HG3 GLU A 46 1.634 -7.126 -19.973 1.00 3.09 H new ATOM 734 N ASP A 47 -0.650 -8.577 -16.067 1.00 2.53 N ATOM 735 CA ASP A 47 -1.529 -9.042 -14.954 1.00 2.50 C ATOM 736 C ASP A 47 -2.051 -7.813 -14.201 1.00 2.28 C ATOM 737 O ASP A 47 -3.243 -7.602 -14.058 1.00 2.32 O ATOM 738 CB ASP A 47 -0.678 -9.912 -14.007 1.00 2.37 C ATOM 739 CG ASP A 47 -1.511 -10.509 -12.856 1.00 3.19 C ATOM 740 OD1 ASP A 47 -2.673 -10.140 -12.736 1.00 3.66 O ATOM 741 OD2 ASP A 47 -0.914 -11.297 -12.143 1.00 4.11 O ATOM 0 H ASP A 47 0.287 -8.981 -16.073 1.00 2.53 H new ATOM 0 HA ASP A 47 -2.372 -9.620 -15.333 1.00 2.50 H new ATOM 0 HB2 ASP A 47 -0.216 -10.719 -14.575 1.00 2.37 H new ATOM 0 HB3 ASP A 47 0.131 -9.310 -13.593 1.00 2.37 H new ATOM 746 N LEU A 48 -1.119 -7.016 -13.741 1.00 2.06 N ATOM 747 CA LEU A 48 -1.473 -5.783 -12.987 1.00 1.89 C ATOM 748 C LEU A 48 -2.537 -4.970 -13.714 1.00 2.04 C ATOM 749 O LEU A 48 -3.412 -4.451 -13.074 1.00 2.00 O ATOM 750 CB LEU A 48 -0.208 -4.945 -12.773 1.00 1.78 C ATOM 751 CG LEU A 48 0.692 -5.661 -11.753 1.00 1.60 C ATOM 752 CD1 LEU A 48 2.087 -5.027 -11.772 1.00 1.61 C ATOM 753 CD2 LEU A 48 0.098 -5.520 -10.339 1.00 1.61 C ATOM 0 H LEU A 48 -0.118 -7.172 -13.859 1.00 2.06 H new ATOM 0 HA LEU A 48 -1.890 -6.071 -12.022 1.00 1.89 H new ATOM 0 HB2 LEU A 48 0.321 -4.813 -13.717 1.00 1.78 H new ATOM 0 HB3 LEU A 48 -0.470 -3.950 -12.413 1.00 1.78 H new ATOM 0 HG LEU A 48 0.758 -6.717 -12.016 1.00 1.60 H new ATOM 0 HD11 LEU A 48 2.727 -5.533 -11.049 1.00 1.61 H new ATOM 0 HD12 LEU A 48 2.517 -5.125 -12.769 1.00 1.61 H new ATOM 0 HD13 LEU A 48 2.010 -3.971 -11.512 1.00 1.61 H new ATOM 0 HD21 LEU A 48 0.741 -6.030 -9.622 1.00 1.61 H new ATOM 0 HD22 LEU A 48 0.028 -4.464 -10.077 1.00 1.61 H new ATOM 0 HD23 LEU A 48 -0.896 -5.966 -10.316 1.00 1.61 H new ATOM 765 N GLN A 49 -2.456 -4.862 -15.018 1.00 2.30 N ATOM 766 CA GLN A 49 -3.503 -4.078 -15.746 1.00 2.53 C ATOM 767 C GLN A 49 -4.892 -4.448 -15.195 1.00 2.53 C ATOM 768 O GLN A 49 -5.655 -3.595 -14.775 1.00 2.41 O ATOM 769 CB GLN A 49 -3.409 -4.431 -17.237 1.00 3.16 C ATOM 770 CG GLN A 49 -4.389 -3.596 -18.068 1.00 4.19 C ATOM 771 CD GLN A 49 -5.794 -4.212 -18.009 1.00 5.87 C ATOM 772 OE1 GLN A 49 -6.095 -5.195 -18.652 1.00 6.96 O ATOM 773 NE2 GLN A 49 -6.679 -3.674 -17.229 1.00 6.68 N ATOM 0 H GLN A 49 -1.726 -5.273 -15.600 1.00 2.30 H new ATOM 0 HA GLN A 49 -3.350 -3.007 -15.609 1.00 2.53 H new ATOM 0 HB2 GLN A 49 -2.392 -4.261 -17.590 1.00 3.16 H new ATOM 0 HB3 GLN A 49 -3.621 -5.491 -17.376 1.00 3.16 H new ATOM 0 HG2 GLN A 49 -4.416 -2.573 -17.692 1.00 4.19 H new ATOM 0 HG3 GLN A 49 -4.049 -3.546 -19.102 1.00 4.19 H new ATOM 0 HE21 GLN A 49 -6.441 -2.847 -16.682 1.00 6.68 H new ATOM 0 HE22 GLN A 49 -7.613 -4.078 -17.163 1.00 6.68 H new ATOM 782 N GLN A 50 -5.132 -5.728 -15.209 1.00 2.78 N ATOM 783 CA GLN A 50 -6.419 -6.322 -14.727 1.00 3.01 C ATOM 784 C GLN A 50 -6.924 -5.697 -13.412 1.00 2.63 C ATOM 785 O GLN A 50 -8.064 -5.295 -13.281 1.00 2.62 O ATOM 786 CB GLN A 50 -6.146 -7.809 -14.490 1.00 3.51 C ATOM 787 CG GLN A 50 -7.450 -8.566 -14.230 1.00 5.11 C ATOM 788 CD GLN A 50 -7.139 -9.982 -13.733 1.00 6.05 C ATOM 789 OE1 GLN A 50 -8.012 -10.815 -13.667 1.00 6.89 O ATOM 790 NE2 GLN A 50 -5.929 -10.309 -13.360 1.00 6.49 N ATOM 0 H GLN A 50 -4.463 -6.419 -15.549 1.00 2.78 H new ATOM 0 HA GLN A 50 -7.192 -6.138 -15.473 1.00 3.01 H new ATOM 0 HB2 GLN A 50 -5.641 -8.233 -15.358 1.00 3.51 H new ATOM 0 HB3 GLN A 50 -5.475 -7.929 -13.640 1.00 3.51 H new ATOM 0 HG2 GLN A 50 -8.048 -8.034 -13.490 1.00 5.11 H new ATOM 0 HG3 GLN A 50 -8.042 -8.613 -15.144 1.00 5.11 H new ATOM 0 HE21 GLN A 50 -5.177 -9.621 -13.408 1.00 6.49 H new ATOM 0 HE22 GLN A 50 -5.737 -11.252 -13.022 1.00 6.49 H new ATOM 799 N LYS A 51 -6.033 -5.635 -12.467 1.00 2.45 N ATOM 800 CA LYS A 51 -6.388 -5.102 -11.115 1.00 2.38 C ATOM 801 C LYS A 51 -6.162 -3.598 -10.956 1.00 1.82 C ATOM 802 O LYS A 51 -6.816 -2.967 -10.142 1.00 1.99 O ATOM 803 CB LYS A 51 -5.517 -5.845 -10.098 1.00 2.64 C ATOM 804 CG LYS A 51 -6.187 -7.181 -9.725 1.00 3.25 C ATOM 805 CD LYS A 51 -5.551 -7.770 -8.449 1.00 3.40 C ATOM 806 CE LYS A 51 -5.500 -6.717 -7.328 1.00 4.25 C ATOM 807 NZ LYS A 51 -6.748 -5.886 -7.318 1.00 5.48 N ATOM 0 H LYS A 51 -5.063 -5.932 -12.569 1.00 2.45 H new ATOM 0 HA LYS A 51 -7.456 -5.261 -10.963 1.00 2.38 H new ATOM 0 HB2 LYS A 51 -4.527 -6.027 -10.516 1.00 2.64 H new ATOM 0 HB3 LYS A 51 -5.379 -5.234 -9.206 1.00 2.64 H new ATOM 0 HG2 LYS A 51 -7.255 -7.027 -9.568 1.00 3.25 H new ATOM 0 HG3 LYS A 51 -6.085 -7.888 -10.548 1.00 3.25 H new ATOM 0 HD2 LYS A 51 -6.126 -8.634 -8.116 1.00 3.40 H new ATOM 0 HD3 LYS A 51 -4.543 -8.123 -8.669 1.00 3.40 H new ATOM 0 HE2 LYS A 51 -5.380 -7.212 -6.364 1.00 4.25 H new ATOM 0 HE3 LYS A 51 -4.631 -6.074 -7.467 1.00 4.25 H new ATOM 0 HZ1 LYS A 51 -7.003 -5.655 -6.337 1.00 5.48 H new ATOM 0 HZ2 LYS A 51 -6.584 -5.007 -7.850 1.00 5.48 H new ATOM 0 HZ3 LYS A 51 -7.524 -6.419 -7.761 1.00 5.48 H new ATOM 821 N ALA A 52 -5.230 -3.093 -11.700 1.00 1.50 N ATOM 822 CA ALA A 52 -4.870 -1.655 -11.636 1.00 1.30 C ATOM 823 C ALA A 52 -5.912 -0.753 -12.288 1.00 1.52 C ATOM 824 O ALA A 52 -6.327 0.236 -11.711 1.00 1.95 O ATOM 825 CB ALA A 52 -3.531 -1.470 -12.362 1.00 1.33 C ATOM 0 H ALA A 52 -4.684 -3.633 -12.372 1.00 1.50 H new ATOM 0 HA ALA A 52 -4.811 -1.369 -10.586 1.00 1.30 H new ATOM 0 HB1 ALA A 52 -3.242 -0.420 -12.330 1.00 1.33 H new ATOM 0 HB2 ALA A 52 -2.765 -2.072 -11.872 1.00 1.33 H new ATOM 0 HB3 ALA A 52 -3.633 -1.787 -13.400 1.00 1.33 H new ATOM 831 N GLY A 53 -6.285 -1.059 -13.498 1.00 1.61 N ATOM 832 CA GLY A 53 -7.276 -0.172 -14.185 1.00 1.95 C ATOM 833 C GLY A 53 -6.518 1.025 -14.774 1.00 2.05 C ATOM 834 O GLY A 53 -6.895 1.580 -15.787 1.00 2.32 O ATOM 0 H GLY A 53 -5.959 -1.863 -14.034 1.00 1.61 H new ATOM 0 HA2 GLY A 53 -7.794 -0.719 -14.973 1.00 1.95 H new ATOM 0 HA3 GLY A 53 -8.035 0.168 -13.480 1.00 1.95 H new ATOM 838 N LYS A 54 -5.478 1.410 -14.073 1.00 2.27 N ATOM 839 CA LYS A 54 -4.611 2.549 -14.497 1.00 2.54 C ATOM 840 C LYS A 54 -3.536 2.022 -15.455 1.00 2.58 C ATOM 841 O LYS A 54 -3.513 0.845 -15.768 1.00 3.12 O ATOM 842 CB LYS A 54 -3.900 3.126 -13.257 1.00 3.22 C ATOM 843 CG LYS A 54 -4.478 4.487 -12.834 1.00 3.68 C ATOM 844 CD LYS A 54 -3.508 5.112 -11.812 1.00 4.58 C ATOM 845 CE LYS A 54 -3.969 6.512 -11.394 1.00 5.14 C ATOM 846 NZ LYS A 54 -3.021 7.084 -10.393 1.00 6.01 N ATOM 0 H LYS A 54 -5.189 0.968 -13.201 1.00 2.27 H new ATOM 0 HA LYS A 54 -5.218 3.314 -14.981 1.00 2.54 H new ATOM 0 HB2 LYS A 54 -3.990 2.423 -12.429 1.00 3.22 H new ATOM 0 HB3 LYS A 54 -2.836 3.235 -13.469 1.00 3.22 H new ATOM 0 HG2 LYS A 54 -4.593 5.139 -13.700 1.00 3.68 H new ATOM 0 HG3 LYS A 54 -5.468 4.362 -12.395 1.00 3.68 H new ATOM 0 HD2 LYS A 54 -3.440 4.471 -10.933 1.00 4.58 H new ATOM 0 HD3 LYS A 54 -2.509 5.169 -12.243 1.00 4.58 H new ATOM 0 HE2 LYS A 54 -4.024 7.162 -12.268 1.00 5.14 H new ATOM 0 HE3 LYS A 54 -4.972 6.462 -10.970 1.00 5.14 H new ATOM 0 HZ1 LYS A 54 -3.537 7.715 -9.747 1.00 6.01 H new ATOM 0 HZ2 LYS A 54 -2.585 6.313 -9.848 1.00 6.01 H new ATOM 0 HZ3 LYS A 54 -2.280 7.623 -10.885 1.00 6.01 H new ATOM 860 N PRO A 55 -2.676 2.917 -15.903 1.00 3.00 N ATOM 861 CA PRO A 55 -1.315 2.557 -16.376 1.00 3.39 C ATOM 862 C PRO A 55 -0.463 1.945 -15.250 1.00 3.83 C ATOM 863 O PRO A 55 -0.187 2.593 -14.247 1.00 4.81 O ATOM 864 CB PRO A 55 -0.722 3.890 -16.851 1.00 4.56 C ATOM 865 CG PRO A 55 -1.916 4.843 -17.057 1.00 4.81 C ATOM 866 CD PRO A 55 -3.007 4.353 -16.095 1.00 3.88 C ATOM 0 HA PRO A 55 -1.340 1.801 -17.161 1.00 3.39 H new ATOM 0 HB2 PRO A 55 -0.026 4.291 -16.114 1.00 4.56 H new ATOM 0 HB3 PRO A 55 -0.164 3.759 -17.778 1.00 4.56 H new ATOM 0 HG2 PRO A 55 -1.636 5.874 -16.840 1.00 4.81 H new ATOM 0 HG3 PRO A 55 -2.264 4.818 -18.090 1.00 4.81 H new ATOM 0 HD2 PRO A 55 -2.987 4.900 -15.152 1.00 3.88 H new ATOM 0 HD3 PRO A 55 -4.003 4.483 -16.517 1.00 3.88 H new ATOM 874 N VAL A 56 0.045 0.766 -15.495 1.00 4.13 N ATOM 875 CA VAL A 56 0.873 0.073 -14.460 1.00 5.28 C ATOM 876 C VAL A 56 2.297 0.659 -14.395 1.00 4.58 C ATOM 877 O VAL A 56 3.247 -0.036 -14.065 1.00 5.62 O ATOM 878 CB VAL A 56 0.944 -1.425 -14.816 1.00 7.26 C ATOM 879 CG1 VAL A 56 -0.455 -2.054 -14.711 1.00 8.28 C ATOM 880 CG2 VAL A 56 1.451 -1.592 -16.258 1.00 7.54 C ATOM 0 H VAL A 56 -0.077 0.251 -16.367 1.00 4.13 H new ATOM 0 HA VAL A 56 0.411 0.215 -13.483 1.00 5.28 H new ATOM 0 HB VAL A 56 1.625 -1.918 -14.122 1.00 7.26 H new ATOM 0 HG11 VAL A 56 -0.398 -3.113 -14.964 1.00 8.28 H new ATOM 0 HG12 VAL A 56 -0.828 -1.944 -13.693 1.00 8.28 H new ATOM 0 HG13 VAL A 56 -1.132 -1.552 -15.402 1.00 8.28 H new ATOM 0 HG21 VAL A 56 1.500 -2.652 -16.506 1.00 7.54 H new ATOM 0 HG22 VAL A 56 0.769 -1.090 -16.944 1.00 7.54 H new ATOM 0 HG23 VAL A 56 2.444 -1.152 -16.348 1.00 7.54 H new ATOM 890 N GLU A 57 2.409 1.927 -14.685 1.00 3.30 N ATOM 891 CA GLU A 57 3.743 2.593 -14.634 1.00 3.22 C ATOM 892 C GLU A 57 3.722 3.631 -13.511 1.00 2.78 C ATOM 893 O GLU A 57 4.746 4.144 -13.099 1.00 4.07 O ATOM 894 CB GLU A 57 4.092 3.221 -16.009 1.00 4.11 C ATOM 895 CG GLU A 57 2.877 3.900 -16.690 1.00 4.26 C ATOM 896 CD GLU A 57 2.644 5.337 -16.188 1.00 4.80 C ATOM 897 OE1 GLU A 57 3.456 5.813 -15.420 1.00 5.64 O ATOM 898 OE2 GLU A 57 1.658 5.893 -16.639 1.00 5.20 O ATOM 0 H GLU A 57 1.633 2.532 -14.955 1.00 3.30 H new ATOM 0 HA GLU A 57 4.525 1.864 -14.421 1.00 3.22 H new ATOM 0 HB2 GLU A 57 4.885 3.957 -15.875 1.00 4.11 H new ATOM 0 HB3 GLU A 57 4.484 2.446 -16.667 1.00 4.11 H new ATOM 0 HG2 GLU A 57 3.032 3.917 -17.769 1.00 4.26 H new ATOM 0 HG3 GLU A 57 1.982 3.305 -16.506 1.00 4.26 H new ATOM 905 N THR A 58 2.553 3.829 -12.968 1.00 2.61 N ATOM 906 CA THR A 58 2.389 4.797 -11.853 1.00 4.00 C ATOM 907 C THR A 58 2.730 4.055 -10.552 1.00 3.68 C ATOM 908 O THR A 58 1.978 4.050 -9.590 1.00 4.25 O ATOM 909 CB THR A 58 0.927 5.270 -11.871 1.00 5.56 C ATOM 910 OG1 THR A 58 0.148 4.074 -11.973 1.00 6.34 O ATOM 911 CG2 THR A 58 0.612 6.071 -13.141 1.00 6.46 C ATOM 0 H THR A 58 1.696 3.355 -13.254 1.00 2.61 H new ATOM 0 HA THR A 58 3.040 5.667 -11.942 1.00 4.00 H new ATOM 0 HB THR A 58 0.728 5.885 -10.993 1.00 5.56 H new ATOM 0 HG1 THR A 58 0.068 3.815 -12.915 1.00 6.34 H new ATOM 0 HG21 THR A 58 -0.430 6.390 -13.121 1.00 6.46 H new ATOM 0 HG22 THR A 58 1.259 6.947 -13.188 1.00 6.46 H new ATOM 0 HG23 THR A 58 0.783 5.446 -14.017 1.00 6.46 H new ATOM 919 N VAL A 59 3.904 3.477 -10.557 1.00 3.00 N ATOM 920 CA VAL A 59 4.344 2.684 -9.376 1.00 2.63 C ATOM 921 C VAL A 59 5.087 3.556 -8.346 1.00 2.40 C ATOM 922 O VAL A 59 5.451 4.674 -8.640 1.00 2.74 O ATOM 923 CB VAL A 59 5.265 1.542 -9.843 1.00 2.68 C ATOM 924 CG1 VAL A 59 4.448 0.534 -10.656 1.00 3.41 C ATOM 925 CG2 VAL A 59 6.394 2.097 -10.715 1.00 3.20 C ATOM 0 H VAL A 59 4.573 3.521 -11.326 1.00 3.00 H new ATOM 0 HA VAL A 59 3.455 2.280 -8.892 1.00 2.63 H new ATOM 0 HB VAL A 59 5.697 1.053 -8.970 1.00 2.68 H new ATOM 0 HG11 VAL A 59 5.097 -0.276 -10.989 1.00 3.41 H new ATOM 0 HG12 VAL A 59 3.649 0.128 -10.035 1.00 3.41 H new ATOM 0 HG13 VAL A 59 4.015 1.032 -11.524 1.00 3.41 H new ATOM 0 HG21 VAL A 59 7.039 1.280 -11.039 1.00 3.20 H new ATOM 0 HG22 VAL A 59 5.969 2.592 -11.588 1.00 3.20 H new ATOM 0 HG23 VAL A 59 6.979 2.814 -10.140 1.00 3.20 H new ATOM 935 N PRO A 60 5.345 3.022 -7.157 1.00 2.07 N ATOM 936 CA PRO A 60 4.735 1.770 -6.631 1.00 1.98 C ATOM 937 C PRO A 60 3.226 1.770 -6.866 1.00 1.64 C ATOM 938 O PRO A 60 2.570 2.784 -6.721 1.00 1.99 O ATOM 939 CB PRO A 60 5.082 1.767 -5.133 1.00 2.26 C ATOM 940 CG PRO A 60 5.711 3.142 -4.827 1.00 2.36 C ATOM 941 CD PRO A 60 6.204 3.704 -6.166 1.00 2.16 C ATOM 0 HA PRO A 60 5.111 0.876 -7.129 1.00 1.98 H new ATOM 0 HB2 PRO A 60 4.190 1.605 -4.528 1.00 2.26 H new ATOM 0 HB3 PRO A 60 5.777 0.961 -4.897 1.00 2.26 H new ATOM 0 HG2 PRO A 60 4.980 3.810 -4.372 1.00 2.36 H new ATOM 0 HG3 PRO A 60 6.535 3.043 -4.121 1.00 2.36 H new ATOM 0 HD2 PRO A 60 6.092 4.787 -6.214 1.00 2.16 H new ATOM 0 HD3 PRO A 60 7.259 3.486 -6.330 1.00 2.16 H new ATOM 949 N GLN A 61 2.713 0.652 -7.275 1.00 1.07 N ATOM 950 CA GLN A 61 1.255 0.580 -7.537 1.00 0.77 C ATOM 951 C GLN A 61 0.623 0.048 -6.260 1.00 0.63 C ATOM 952 O GLN A 61 0.938 -1.055 -5.838 1.00 0.56 O ATOM 953 CB GLN A 61 1.023 -0.360 -8.734 1.00 0.92 C ATOM 954 CG GLN A 61 -0.378 -0.149 -9.320 1.00 1.85 C ATOM 955 CD GLN A 61 -0.427 1.107 -10.191 1.00 2.31 C ATOM 956 OE1 GLN A 61 -1.287 1.232 -11.031 1.00 3.29 O ATOM 957 NE2 GLN A 61 0.432 2.067 -10.049 1.00 3.07 N ATOM 0 H GLN A 61 3.234 -0.210 -7.439 1.00 1.07 H new ATOM 0 HA GLN A 61 0.814 1.544 -7.790 1.00 0.77 H new ATOM 0 HB2 GLN A 61 1.776 -0.175 -9.500 1.00 0.92 H new ATOM 0 HB3 GLN A 61 1.139 -1.397 -8.417 1.00 0.92 H new ATOM 0 HG2 GLN A 61 -0.662 -1.018 -9.913 1.00 1.85 H new ATOM 0 HG3 GLN A 61 -1.104 -0.064 -8.512 1.00 1.85 H new ATOM 0 HE21 GLN A 61 1.170 1.992 -9.349 1.00 3.07 H new ATOM 0 HE22 GLN A 61 0.370 2.898 -10.637 1.00 3.07 H new ATOM 966 N ILE A 62 -0.205 0.853 -5.644 1.00 0.83 N ATOM 967 CA ILE A 62 -0.838 0.418 -4.374 1.00 0.75 C ATOM 968 C ILE A 62 -2.316 0.117 -4.565 1.00 0.82 C ATOM 969 O ILE A 62 -3.059 0.820 -5.239 1.00 0.98 O ATOM 970 CB ILE A 62 -0.683 1.521 -3.307 1.00 0.84 C ATOM 971 CG1 ILE A 62 0.782 1.626 -2.857 1.00 1.10 C ATOM 972 CG2 ILE A 62 -1.561 1.205 -2.085 1.00 0.81 C ATOM 973 CD1 ILE A 62 1.570 2.470 -3.851 1.00 1.12 C ATOM 0 H ILE A 62 -0.465 1.785 -5.967 1.00 0.83 H new ATOM 0 HA ILE A 62 -0.337 -0.494 -4.048 1.00 0.75 H new ATOM 0 HB ILE A 62 -0.996 2.468 -3.747 1.00 0.84 H new ATOM 0 HG12 ILE A 62 0.836 2.073 -1.864 1.00 1.10 H new ATOM 0 HG13 ILE A 62 1.221 0.631 -2.783 1.00 1.10 H new ATOM 0 HG21 ILE A 62 -1.443 1.991 -1.339 1.00 0.81 H new ATOM 0 HG22 ILE A 62 -2.605 1.150 -2.392 1.00 0.81 H new ATOM 0 HG23 ILE A 62 -1.258 0.250 -1.657 1.00 0.81 H new ATOM 0 HD11 ILE A 62 2.608 2.540 -3.526 1.00 1.12 H new ATOM 0 HD12 ILE A 62 1.529 2.005 -4.836 1.00 1.12 H new ATOM 0 HD13 ILE A 62 1.138 3.469 -3.903 1.00 1.12 H new ATOM 985 N PHE A 63 -2.683 -0.937 -3.904 1.00 0.74 N ATOM 986 CA PHE A 63 -4.081 -1.445 -3.908 1.00 0.79 C ATOM 987 C PHE A 63 -4.492 -1.574 -2.447 1.00 0.73 C ATOM 988 O PHE A 63 -3.721 -2.102 -1.661 1.00 0.74 O ATOM 989 CB PHE A 63 -4.137 -2.835 -4.559 1.00 0.87 C ATOM 990 CG PHE A 63 -3.628 -2.768 -6.002 1.00 1.02 C ATOM 991 CD1 PHE A 63 -2.319 -2.422 -6.278 1.00 1.32 C ATOM 992 CD2 PHE A 63 -4.484 -3.017 -7.052 1.00 1.16 C ATOM 993 CE1 PHE A 63 -1.884 -2.316 -7.576 1.00 1.62 C ATOM 994 CE2 PHE A 63 -4.046 -2.906 -8.349 1.00 1.48 C ATOM 995 CZ PHE A 63 -2.753 -2.548 -8.611 1.00 1.67 C ATOM 0 H PHE A 63 -2.044 -1.493 -3.336 1.00 0.74 H new ATOM 0 HA PHE A 63 -4.736 -0.775 -4.464 1.00 0.79 H new ATOM 0 HB2 PHE A 63 -3.532 -3.537 -3.985 1.00 0.87 H new ATOM 0 HB3 PHE A 63 -5.160 -3.210 -4.544 1.00 0.87 H new ATOM 0 HD1 PHE A 63 -1.632 -2.233 -5.466 1.00 1.32 H new ATOM 0 HD2 PHE A 63 -5.507 -3.302 -6.854 1.00 1.16 H new ATOM 0 HE1 PHE A 63 -0.858 -2.050 -7.782 1.00 1.62 H new ATOM 0 HE2 PHE A 63 -4.726 -3.102 -9.165 1.00 1.48 H new ATOM 0 HZ PHE A 63 -2.416 -2.448 -9.632 1.00 1.67 H new ATOM 1005 N VAL A 64 -5.684 -1.155 -2.119 1.00 0.65 N ATOM 1006 CA VAL A 64 -6.111 -1.252 -0.687 1.00 0.68 C ATOM 1007 C VAL A 64 -7.185 -2.312 -0.541 1.00 0.81 C ATOM 1008 O VAL A 64 -8.274 -2.150 -1.066 1.00 1.14 O ATOM 1009 CB VAL A 64 -6.663 0.104 -0.211 1.00 0.70 C ATOM 1010 CG1 VAL A 64 -7.315 -0.049 1.175 1.00 0.74 C ATOM 1011 CG2 VAL A 64 -5.511 1.102 -0.084 1.00 0.77 C ATOM 0 H VAL A 64 -6.370 -0.758 -2.761 1.00 0.65 H new ATOM 0 HA VAL A 64 -5.248 -1.524 -0.079 1.00 0.68 H new ATOM 0 HB VAL A 64 -7.400 0.455 -0.933 1.00 0.70 H new ATOM 0 HG11 VAL A 64 -7.702 0.915 1.503 1.00 0.74 H new ATOM 0 HG12 VAL A 64 -8.133 -0.767 1.115 1.00 0.74 H new ATOM 0 HG13 VAL A 64 -6.572 -0.404 1.889 1.00 0.74 H new ATOM 0 HG21 VAL A 64 -5.898 2.064 0.253 1.00 0.77 H new ATOM 0 HG22 VAL A 64 -4.785 0.730 0.639 1.00 0.77 H new ATOM 0 HG23 VAL A 64 -5.028 1.225 -1.053 1.00 0.77 H new ATOM 1021 N ASP A 65 -6.827 -3.397 0.090 1.00 0.97 N ATOM 1022 CA ASP A 65 -7.799 -4.504 0.335 1.00 1.18 C ATOM 1023 C ASP A 65 -8.074 -5.318 -0.923 1.00 1.31 C ATOM 1024 O ASP A 65 -7.615 -6.436 -1.075 1.00 1.91 O ATOM 1025 CB ASP A 65 -9.123 -3.907 0.858 1.00 1.28 C ATOM 1026 CG ASP A 65 -9.848 -4.937 1.716 1.00 1.66 C ATOM 1027 OD1 ASP A 65 -9.242 -5.327 2.697 1.00 2.23 O ATOM 1028 OD2 ASP A 65 -10.953 -5.278 1.342 1.00 2.69 O ATOM 0 H ASP A 65 -5.889 -3.567 0.452 1.00 0.97 H new ATOM 0 HA ASP A 65 -7.360 -5.176 1.072 1.00 1.18 H new ATOM 0 HB2 ASP A 65 -8.922 -3.009 1.443 1.00 1.28 H new ATOM 0 HB3 ASP A 65 -9.754 -3.608 0.021 1.00 1.28 H new ATOM 1033 N GLN A 66 -8.796 -4.722 -1.826 1.00 1.22 N ATOM 1034 CA GLN A 66 -9.158 -5.445 -3.076 1.00 1.40 C ATOM 1035 C GLN A 66 -8.957 -4.614 -4.345 1.00 1.26 C ATOM 1036 O GLN A 66 -8.428 -5.123 -5.330 1.00 1.84 O ATOM 1037 CB GLN A 66 -10.635 -5.853 -2.976 1.00 1.75 C ATOM 1038 CG GLN A 66 -10.840 -6.740 -1.739 1.00 2.73 C ATOM 1039 CD GLN A 66 -12.332 -6.969 -1.509 1.00 3.47 C ATOM 1040 OE1 GLN A 66 -13.027 -7.516 -2.342 1.00 3.83 O ATOM 1041 NE2 GLN A 66 -12.861 -6.560 -0.397 1.00 4.50 N ATOM 0 H GLN A 66 -9.151 -3.768 -1.755 1.00 1.22 H new ATOM 0 HA GLN A 66 -8.495 -6.306 -3.161 1.00 1.40 H new ATOM 0 HB2 GLN A 66 -11.264 -4.966 -2.908 1.00 1.75 H new ATOM 0 HB3 GLN A 66 -10.936 -6.390 -3.875 1.00 1.75 H new ATOM 0 HG2 GLN A 66 -10.333 -7.695 -1.877 1.00 2.73 H new ATOM 0 HG3 GLN A 66 -10.396 -6.267 -0.863 1.00 2.73 H new ATOM 0 HE21 GLN A 66 -12.281 -6.100 0.305 1.00 4.50 H new ATOM 0 HE22 GLN A 66 -13.857 -6.698 -0.225 1.00 4.50 H new ATOM 1050 N GLN A 67 -9.314 -3.354 -4.297 1.00 0.84 N ATOM 1051 CA GLN A 67 -9.208 -2.518 -5.514 1.00 0.89 C ATOM 1052 C GLN A 67 -7.905 -1.740 -5.605 1.00 0.71 C ATOM 1053 O GLN A 67 -7.210 -1.530 -4.623 1.00 0.67 O ATOM 1054 CB GLN A 67 -10.368 -1.510 -5.504 1.00 1.18 C ATOM 1055 CG GLN A 67 -10.426 -0.724 -4.177 1.00 1.60 C ATOM 1056 CD GLN A 67 -11.414 -1.398 -3.222 1.00 2.84 C ATOM 1057 OE1 GLN A 67 -12.586 -1.512 -3.509 1.00 3.41 O ATOM 1058 NE2 GLN A 67 -10.989 -1.870 -2.085 1.00 4.05 N ATOM 0 H GLN A 67 -9.671 -2.878 -3.469 1.00 0.84 H new ATOM 0 HA GLN A 67 -9.242 -3.190 -6.371 1.00 0.89 H new ATOM 0 HB2 GLN A 67 -10.253 -0.814 -6.335 1.00 1.18 H new ATOM 0 HB3 GLN A 67 -11.310 -2.037 -5.657 1.00 1.18 H new ATOM 0 HG2 GLN A 67 -9.436 -0.684 -3.723 1.00 1.60 H new ATOM 0 HG3 GLN A 67 -10.732 0.305 -4.366 1.00 1.60 H new ATOM 0 HE21 GLN A 67 -10.005 -1.781 -1.831 1.00 4.05 H new ATOM 0 HE22 GLN A 67 -11.640 -2.329 -1.448 1.00 4.05 H new ATOM 1067 N HIS A 68 -7.622 -1.329 -6.810 1.00 0.84 N ATOM 1068 CA HIS A 68 -6.405 -0.523 -7.048 1.00 0.78 C ATOM 1069 C HIS A 68 -6.735 0.871 -6.567 1.00 0.61 C ATOM 1070 O HIS A 68 -7.861 1.310 -6.729 1.00 0.68 O ATOM 1071 CB HIS A 68 -6.106 -0.440 -8.535 1.00 1.01 C ATOM 1072 CG HIS A 68 -4.871 0.407 -8.825 1.00 1.14 C ATOM 1073 ND1 HIS A 68 -4.820 1.198 -9.853 1.00 1.26 N ATOM 1074 CD2 HIS A 68 -3.690 0.554 -8.156 1.00 1.38 C ATOM 1075 CE1 HIS A 68 -3.667 1.827 -9.836 1.00 1.42 C ATOM 1076 NE2 HIS A 68 -2.987 1.429 -8.796 1.00 1.51 N ATOM 0 H HIS A 68 -8.186 -1.520 -7.638 1.00 0.84 H new ATOM 0 HA HIS A 68 -5.547 -0.962 -6.540 1.00 0.78 H new ATOM 0 HB2 HIS A 68 -5.957 -1.445 -8.931 1.00 1.01 H new ATOM 0 HB3 HIS A 68 -6.966 -0.016 -9.054 1.00 1.01 H new ATOM 0 HD1 HIS A 68 -5.551 1.312 -10.555 1.00 1.26 H new ATOM 0 HD2 HIS A 68 -3.397 0.034 -7.256 1.00 1.38 H new ATOM 0 HE1 HIS A 68 -3.336 2.554 -10.563 1.00 1.42 H new ATOM 1084 N ILE A 69 -5.785 1.546 -6.010 1.00 0.63 N ATOM 1085 CA ILE A 69 -6.095 2.910 -5.528 1.00 0.76 C ATOM 1086 C ILE A 69 -5.522 3.936 -6.500 1.00 1.07 C ATOM 1087 O ILE A 69 -6.027 5.038 -6.578 1.00 1.38 O ATOM 1088 CB ILE A 69 -5.542 3.062 -4.102 1.00 0.79 C ATOM 1089 CG1 ILE A 69 -6.181 2.006 -3.172 1.00 0.87 C ATOM 1090 CG2 ILE A 69 -5.865 4.451 -3.547 1.00 0.86 C ATOM 1091 CD1 ILE A 69 -7.713 1.924 -3.344 1.00 0.81 C ATOM 0 H ILE A 69 -4.827 1.225 -5.868 1.00 0.63 H new ATOM 0 HA ILE A 69 -7.171 3.081 -5.488 1.00 0.76 H new ATOM 0 HB ILE A 69 -4.461 2.924 -4.142 1.00 0.79 H new ATOM 0 HG12 ILE A 69 -5.742 1.030 -3.378 1.00 0.87 H new ATOM 0 HG13 ILE A 69 -5.946 2.248 -2.136 1.00 0.87 H new ATOM 0 HG21 ILE A 69 -5.466 4.541 -2.537 1.00 0.86 H new ATOM 0 HG22 ILE A 69 -5.414 5.211 -4.184 1.00 0.86 H new ATOM 0 HG23 ILE A 69 -6.946 4.591 -3.524 1.00 0.86 H new ATOM 0 HD11 ILE A 69 -8.115 1.168 -2.669 1.00 0.81 H new ATOM 0 HD12 ILE A 69 -8.158 2.892 -3.111 1.00 0.81 H new ATOM 0 HD13 ILE A 69 -7.950 1.654 -4.373 1.00 0.81 H new ATOM 1103 N GLY A 70 -4.492 3.574 -7.228 1.00 1.20 N ATOM 1104 CA GLY A 70 -3.930 4.555 -8.209 1.00 1.71 C ATOM 1105 C GLY A 70 -2.397 4.584 -8.227 1.00 1.43 C ATOM 1106 O GLY A 70 -1.808 4.827 -9.276 1.00 2.77 O ATOM 0 H GLY A 70 -4.027 2.667 -7.188 1.00 1.20 H new ATOM 0 HA2 GLY A 70 -4.294 4.309 -9.207 1.00 1.71 H new ATOM 0 HA3 GLY A 70 -4.303 5.551 -7.970 1.00 1.71 H new ATOM 1110 N GLY A 71 -1.791 4.377 -7.093 1.00 1.46 N ATOM 1111 CA GLY A 71 -0.298 4.400 -7.038 1.00 1.32 C ATOM 1112 C GLY A 71 0.153 5.085 -5.756 1.00 1.11 C ATOM 1113 O GLY A 71 -0.666 5.455 -4.948 1.00 1.70 O ATOM 0 H GLY A 71 -2.258 4.194 -6.205 1.00 1.46 H new ATOM 0 HA2 GLY A 71 0.093 3.383 -7.077 1.00 1.32 H new ATOM 0 HA3 GLY A 71 0.100 4.928 -7.904 1.00 1.32 H new ATOM 1117 N TYR A 72 1.439 5.272 -5.612 1.00 1.11 N ATOM 1118 CA TYR A 72 1.953 5.921 -4.360 1.00 0.93 C ATOM 1119 C TYR A 72 1.218 7.240 -4.062 1.00 0.87 C ATOM 1120 O TYR A 72 0.807 7.466 -2.942 1.00 1.00 O ATOM 1121 CB TYR A 72 3.457 6.195 -4.519 1.00 1.05 C ATOM 1122 CG TYR A 72 4.107 6.586 -3.169 1.00 1.11 C ATOM 1123 CD1 TYR A 72 3.571 6.193 -1.950 1.00 0.87 C ATOM 1124 CD2 TYR A 72 5.238 7.381 -3.159 1.00 1.77 C ATOM 1125 CE1 TYR A 72 4.141 6.602 -0.764 1.00 1.03 C ATOM 1126 CE2 TYR A 72 5.804 7.788 -1.969 1.00 2.01 C ATOM 1127 CZ TYR A 72 5.258 7.406 -0.761 1.00 1.57 C ATOM 1128 OH TYR A 72 5.793 7.861 0.428 1.00 1.86 O ATOM 0 H TYR A 72 2.150 5.009 -6.294 1.00 1.11 H new ATOM 0 HA TYR A 72 1.775 5.244 -3.525 1.00 0.93 H new ATOM 0 HB2 TYR A 72 3.949 5.308 -4.918 1.00 1.05 H new ATOM 0 HB3 TYR A 72 3.608 6.996 -5.242 1.00 1.05 H new ATOM 0 HD1 TYR A 72 2.697 5.559 -1.931 1.00 0.87 H new ATOM 0 HD2 TYR A 72 5.684 7.687 -4.094 1.00 1.77 H new ATOM 0 HE1 TYR A 72 3.706 6.288 0.174 1.00 1.03 H new ATOM 0 HE2 TYR A 72 6.685 8.413 -1.983 1.00 2.01 H new ATOM 0 HH TYR A 72 6.580 8.415 0.242 1.00 1.86 H new ATOM 1138 N THR A 73 1.020 8.058 -5.062 1.00 1.01 N ATOM 1139 CA THR A 73 0.314 9.363 -4.833 1.00 1.01 C ATOM 1140 C THR A 73 -1.147 9.123 -4.451 1.00 0.94 C ATOM 1141 O THR A 73 -1.617 9.551 -3.411 1.00 1.13 O ATOM 1142 CB THR A 73 0.358 10.176 -6.136 1.00 1.21 C ATOM 1143 OG1 THR A 73 0.135 9.206 -7.158 1.00 1.45 O ATOM 1144 CG2 THR A 73 1.756 10.729 -6.423 1.00 1.37 C ATOM 0 H THR A 73 1.313 7.885 -6.024 1.00 1.01 H new ATOM 0 HA THR A 73 0.807 9.900 -4.022 1.00 1.01 H new ATOM 0 HB THR A 73 -0.351 11.002 -6.082 1.00 1.21 H new ATOM 0 HG1 THR A 73 0.146 9.645 -8.034 1.00 1.45 H new ATOM 0 HG21 THR A 73 1.739 11.296 -7.353 1.00 1.37 H new ATOM 0 HG22 THR A 73 2.064 11.381 -5.606 1.00 1.37 H new ATOM 0 HG23 THR A 73 2.462 9.904 -6.514 1.00 1.37 H new ATOM 1152 N ASP A 74 -1.835 8.467 -5.332 1.00 0.88 N ATOM 1153 CA ASP A 74 -3.269 8.159 -5.094 1.00 0.83 C ATOM 1154 C ASP A 74 -3.429 7.569 -3.706 1.00 0.69 C ATOM 1155 O ASP A 74 -4.287 7.977 -2.968 1.00 0.76 O ATOM 1156 CB ASP A 74 -3.720 7.171 -6.150 1.00 0.99 C ATOM 1157 CG ASP A 74 -3.351 7.742 -7.513 1.00 1.47 C ATOM 1158 OD1 ASP A 74 -2.210 7.555 -7.897 1.00 2.14 O ATOM 1159 OD2 ASP A 74 -4.217 8.348 -8.110 1.00 2.71 O ATOM 0 H ASP A 74 -1.463 8.126 -6.218 1.00 0.88 H new ATOM 0 HA ASP A 74 -3.877 9.061 -5.157 1.00 0.83 H new ATOM 0 HB2 ASP A 74 -3.239 6.205 -5.998 1.00 0.99 H new ATOM 0 HB3 ASP A 74 -4.795 7.006 -6.084 1.00 0.99 H new ATOM 1164 N PHE A 75 -2.580 6.634 -3.376 1.00 0.62 N ATOM 1165 CA PHE A 75 -2.657 6.025 -2.029 1.00 0.62 C ATOM 1166 C PHE A 75 -2.433 7.124 -0.996 1.00 0.58 C ATOM 1167 O PHE A 75 -3.239 7.300 -0.134 1.00 0.66 O ATOM 1168 CB PHE A 75 -1.591 4.933 -1.880 1.00 0.72 C ATOM 1169 CG PHE A 75 -1.701 4.271 -0.494 1.00 0.73 C ATOM 1170 CD1 PHE A 75 -2.863 3.627 -0.099 1.00 0.73 C ATOM 1171 CD2 PHE A 75 -0.632 4.304 0.380 1.00 0.91 C ATOM 1172 CE1 PHE A 75 -2.949 3.031 1.145 1.00 0.77 C ATOM 1173 CE2 PHE A 75 -0.716 3.708 1.621 1.00 1.04 C ATOM 1174 CZ PHE A 75 -1.872 3.072 2.006 1.00 0.92 C ATOM 0 H PHE A 75 -1.843 6.271 -3.980 1.00 0.62 H new ATOM 0 HA PHE A 75 -3.634 5.566 -1.881 1.00 0.62 H new ATOM 0 HB2 PHE A 75 -1.716 4.183 -2.661 1.00 0.72 H new ATOM 0 HB3 PHE A 75 -0.598 5.364 -2.008 1.00 0.72 H new ATOM 0 HD1 PHE A 75 -3.709 3.591 -0.769 1.00 0.73 H new ATOM 0 HD2 PHE A 75 0.281 4.802 0.088 1.00 0.91 H new ATOM 0 HE1 PHE A 75 -3.860 2.533 1.443 1.00 0.77 H new ATOM 0 HE2 PHE A 75 0.129 3.741 2.292 1.00 1.04 H new ATOM 0 HZ PHE A 75 -1.937 2.606 2.978 1.00 0.92 H new ATOM 1184 N ALA A 76 -1.364 7.861 -1.113 1.00 0.60 N ATOM 1185 CA ALA A 76 -1.103 8.950 -0.123 1.00 0.68 C ATOM 1186 C ALA A 76 -2.346 9.816 0.147 1.00 0.70 C ATOM 1187 O ALA A 76 -2.752 9.982 1.282 1.00 0.79 O ATOM 1188 CB ALA A 76 0.040 9.823 -0.660 1.00 0.77 C ATOM 0 H ALA A 76 -0.662 7.760 -1.846 1.00 0.60 H new ATOM 0 HA ALA A 76 -0.833 8.492 0.828 1.00 0.68 H new ATOM 0 HB1 ALA A 76 0.248 10.626 0.047 1.00 0.77 H new ATOM 0 HB2 ALA A 76 0.934 9.213 -0.790 1.00 0.77 H new ATOM 0 HB3 ALA A 76 -0.249 10.251 -1.620 1.00 0.77 H new ATOM 1194 N ALA A 77 -2.942 10.337 -0.890 1.00 0.71 N ATOM 1195 CA ALA A 77 -4.152 11.198 -0.677 1.00 0.80 C ATOM 1196 C ALA A 77 -5.349 10.335 -0.293 1.00 0.77 C ATOM 1197 O ALA A 77 -6.001 10.594 0.706 1.00 0.82 O ATOM 1198 CB ALA A 77 -4.467 11.957 -1.969 1.00 0.91 C ATOM 0 H ALA A 77 -2.655 10.211 -1.861 1.00 0.71 H new ATOM 0 HA ALA A 77 -3.950 11.905 0.128 1.00 0.80 H new ATOM 0 HB1 ALA A 77 -5.346 12.584 -1.818 1.00 0.91 H new ATOM 0 HB2 ALA A 77 -3.617 12.583 -2.240 1.00 0.91 H new ATOM 0 HB3 ALA A 77 -4.663 11.245 -2.771 1.00 0.91 H new ATOM 1204 N TRP A 78 -5.603 9.338 -1.098 1.00 0.75 N ATOM 1205 CA TRP A 78 -6.745 8.419 -0.819 1.00 0.79 C ATOM 1206 C TRP A 78 -6.739 8.063 0.662 1.00 0.74 C ATOM 1207 O TRP A 78 -7.761 8.145 1.318 1.00 0.84 O ATOM 1208 CB TRP A 78 -6.613 7.138 -1.653 1.00 0.86 C ATOM 1209 CG TRP A 78 -7.738 6.114 -1.464 1.00 0.97 C ATOM 1210 CD1 TRP A 78 -8.836 5.964 -2.263 1.00 1.16 C ATOM 1211 CD2 TRP A 78 -7.928 5.199 -0.453 1.00 1.00 C ATOM 1212 NE1 TRP A 78 -9.619 5.041 -1.782 1.00 1.26 N ATOM 1213 CE2 TRP A 78 -9.127 4.538 -0.667 1.00 1.17 C ATOM 1214 CE3 TRP A 78 -7.144 4.922 0.651 1.00 1.04 C ATOM 1215 CZ2 TRP A 78 -9.568 3.592 0.223 1.00 1.30 C ATOM 1216 CZ3 TRP A 78 -7.605 3.965 1.542 1.00 1.22 C ATOM 1217 CH2 TRP A 78 -8.807 3.311 1.335 1.00 1.32 C ATOM 0 H TRP A 78 -5.068 9.120 -1.938 1.00 0.75 H new ATOM 0 HA TRP A 78 -7.680 8.914 -1.083 1.00 0.79 H new ATOM 0 HB2 TRP A 78 -6.568 7.413 -2.707 1.00 0.86 H new ATOM 0 HB3 TRP A 78 -5.664 6.660 -1.407 1.00 0.86 H new ATOM 0 HD1 TRP A 78 -9.027 6.529 -3.163 1.00 1.16 H new ATOM 0 HE1 TRP A 78 -10.496 4.746 -2.211 1.00 1.26 H new ATOM 0 HE3 TRP A 78 -6.206 5.432 0.814 1.00 1.04 H new ATOM 0 HZ2 TRP A 78 -10.500 3.074 0.053 1.00 1.30 H new ATOM 0 HZ3 TRP A 78 -7.015 3.725 2.414 1.00 1.22 H new ATOM 0 HH2 TRP A 78 -9.149 2.577 2.049 1.00 1.32 H new ATOM 1228 N VAL A 79 -5.575 7.676 1.149 1.00 0.66 N ATOM 1229 CA VAL A 79 -5.449 7.317 2.584 1.00 0.68 C ATOM 1230 C VAL A 79 -6.106 8.396 3.418 1.00 0.82 C ATOM 1231 O VAL A 79 -7.045 8.148 4.139 1.00 1.02 O ATOM 1232 CB VAL A 79 -3.950 7.201 2.936 1.00 0.68 C ATOM 1233 CG1 VAL A 79 -3.728 7.362 4.448 1.00 0.85 C ATOM 1234 CG2 VAL A 79 -3.443 5.815 2.521 1.00 0.65 C ATOM 0 H VAL A 79 -4.715 7.597 0.606 1.00 0.66 H new ATOM 0 HA VAL A 79 -5.938 6.364 2.787 1.00 0.68 H new ATOM 0 HB VAL A 79 -3.411 7.988 2.408 1.00 0.68 H new ATOM 0 HG11 VAL A 79 -2.664 7.276 4.671 1.00 0.85 H new ATOM 0 HG12 VAL A 79 -4.088 8.340 4.766 1.00 0.85 H new ATOM 0 HG13 VAL A 79 -4.274 6.584 4.981 1.00 0.85 H new ATOM 0 HG21 VAL A 79 -2.385 5.726 2.767 1.00 0.65 H new ATOM 0 HG22 VAL A 79 -4.005 5.048 3.053 1.00 0.65 H new ATOM 0 HG23 VAL A 79 -3.578 5.685 1.447 1.00 0.65 H new ATOM 1244 N LYS A 80 -5.622 9.589 3.282 1.00 0.87 N ATOM 1245 CA LYS A 80 -6.209 10.685 4.085 1.00 1.11 C ATOM 1246 C LYS A 80 -7.719 10.827 3.833 1.00 1.25 C ATOM 1247 O LYS A 80 -8.516 10.659 4.746 1.00 1.87 O ATOM 1248 CB LYS A 80 -5.486 11.990 3.719 1.00 1.21 C ATOM 1249 CG LYS A 80 -5.615 12.998 4.875 1.00 1.59 C ATOM 1250 CD LYS A 80 -7.006 13.663 4.849 1.00 2.41 C ATOM 1251 CE LYS A 80 -7.218 14.514 6.104 1.00 2.39 C ATOM 1252 NZ LYS A 80 -7.162 13.658 7.328 1.00 3.11 N ATOM 0 H LYS A 80 -4.857 9.852 2.660 1.00 0.87 H new ATOM 0 HA LYS A 80 -6.080 10.459 5.144 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -4.434 11.789 3.515 1.00 1.21 H new ATOM 0 HB3 LYS A 80 -5.913 12.410 2.808 1.00 1.21 H new ATOM 0 HG2 LYS A 80 -5.464 12.491 5.828 1.00 1.59 H new ATOM 0 HG3 LYS A 80 -4.839 13.759 4.792 1.00 1.59 H new ATOM 0 HD2 LYS A 80 -7.101 14.286 3.960 1.00 2.41 H new ATOM 0 HD3 LYS A 80 -7.780 12.898 4.786 1.00 2.41 H new ATOM 0 HE2 LYS A 80 -6.454 15.289 6.159 1.00 2.39 H new ATOM 0 HE3 LYS A 80 -8.182 15.020 6.050 1.00 2.39 H new ATOM 0 HZ1 LYS A 80 -8.059 13.737 7.848 1.00 3.11 H new ATOM 0 HZ2 LYS A 80 -7.007 12.667 7.052 1.00 3.11 H new ATOM 0 HZ3 LYS A 80 -6.380 13.974 7.937 1.00 3.11 H new ATOM 1266 N GLU A 81 -8.061 11.086 2.599 1.00 1.09 N ATOM 1267 CA GLU A 81 -9.490 11.308 2.226 1.00 1.24 C ATOM 1268 C GLU A 81 -10.459 10.208 2.669 1.00 1.25 C ATOM 1269 O GLU A 81 -11.589 10.502 3.005 1.00 1.57 O ATOM 1270 CB GLU A 81 -9.579 11.453 0.699 1.00 1.38 C ATOM 1271 CG GLU A 81 -8.674 12.596 0.211 1.00 1.83 C ATOM 1272 CD GLU A 81 -8.721 12.652 -1.325 1.00 2.95 C ATOM 1273 OE1 GLU A 81 -9.674 13.235 -1.818 1.00 3.86 O ATOM 1274 OE2 GLU A 81 -7.810 12.092 -1.921 1.00 3.83 O ATOM 0 H GLU A 81 -7.403 11.154 1.823 1.00 1.09 H new ATOM 0 HA GLU A 81 -9.800 12.208 2.756 1.00 1.24 H new ATOM 0 HB2 GLU A 81 -9.284 10.519 0.222 1.00 1.38 H new ATOM 0 HB3 GLU A 81 -10.611 11.648 0.406 1.00 1.38 H new ATOM 0 HG2 GLU A 81 -9.006 13.545 0.632 1.00 1.83 H new ATOM 0 HG3 GLU A 81 -7.651 12.437 0.551 1.00 1.83 H new ATOM 1281 N ASN A 82 -10.030 8.981 2.637 1.00 1.21 N ATOM 1282 CA ASN A 82 -10.965 7.880 3.026 1.00 1.25 C ATOM 1283 C ASN A 82 -10.737 7.358 4.440 1.00 1.22 C ATOM 1284 O ASN A 82 -11.668 6.883 5.062 1.00 1.34 O ATOM 1285 CB ASN A 82 -10.805 6.722 2.030 1.00 1.33 C ATOM 1286 CG ASN A 82 -11.288 7.160 0.643 1.00 1.44 C ATOM 1287 OD1 ASN A 82 -12.333 6.753 0.176 1.00 1.73 O ATOM 1288 ND2 ASN A 82 -10.557 7.991 -0.039 1.00 1.68 N ATOM 0 H ASN A 82 -9.091 8.690 2.365 1.00 1.21 H new ATOM 0 HA ASN A 82 -11.973 8.294 3.004 1.00 1.25 H new ATOM 0 HB2 ASN A 82 -9.761 6.414 1.981 1.00 1.33 H new ATOM 0 HB3 ASN A 82 -11.377 5.858 2.368 1.00 1.33 H new ATOM 0 HD21 ASN A 82 -10.862 8.299 -0.963 1.00 1.68 H new ATOM 0 HD22 ASN A 82 -9.679 8.335 0.349 1.00 1.68 H new ATOM 1295 N LEU A 83 -9.542 7.430 4.944 1.00 1.13 N ATOM 1296 CA LEU A 83 -9.332 6.893 6.322 1.00 1.21 C ATOM 1297 C LEU A 83 -9.670 7.915 7.408 1.00 1.42 C ATOM 1298 O LEU A 83 -10.045 7.507 8.503 1.00 1.75 O ATOM 1299 CB LEU A 83 -7.874 6.447 6.509 1.00 1.12 C ATOM 1300 CG LEU A 83 -7.465 5.389 5.465 1.00 0.92 C ATOM 1301 CD1 LEU A 83 -6.190 4.697 5.956 1.00 0.95 C ATOM 1302 CD2 LEU A 83 -8.563 4.334 5.273 1.00 1.06 C ATOM 0 H LEU A 83 -8.721 7.823 4.484 1.00 1.13 H new ATOM 0 HA LEU A 83 -10.008 6.044 6.426 1.00 1.21 H new ATOM 0 HB2 LEU A 83 -7.215 7.312 6.429 1.00 1.12 H new ATOM 0 HB3 LEU A 83 -7.744 6.039 7.511 1.00 1.12 H new ATOM 0 HG LEU A 83 -7.303 5.886 4.508 1.00 0.92 H new ATOM 0 HD11 LEU A 83 -5.883 3.943 5.231 1.00 0.95 H new ATOM 0 HD12 LEU A 83 -5.396 5.435 6.070 1.00 0.95 H new ATOM 0 HD13 LEU A 83 -6.382 4.219 6.917 1.00 0.95 H new ATOM 0 HD21 LEU A 83 -8.241 3.604 4.530 1.00 1.06 H new ATOM 0 HD22 LEU A 83 -8.752 3.829 6.220 1.00 1.06 H new ATOM 0 HD23 LEU A 83 -9.478 4.819 4.932 1.00 1.06 H new ATOM 1314 N ASP A 84 -9.573 9.198 7.109 1.00 1.51 N ATOM 1315 CA ASP A 84 -9.884 10.205 8.177 1.00 1.76 C ATOM 1316 C ASP A 84 -11.272 10.811 7.976 1.00 2.46 C ATOM 1317 O ASP A 84 -11.480 12.003 8.155 1.00 3.11 O ATOM 1318 CB ASP A 84 -8.826 11.315 8.156 1.00 2.18 C ATOM 1319 CG ASP A 84 -7.470 10.778 8.614 1.00 2.58 C ATOM 1320 OD1 ASP A 84 -7.447 10.136 9.659 1.00 3.33 O ATOM 1321 OD2 ASP A 84 -6.520 11.091 7.911 1.00 3.28 O ATOM 0 H ASP A 84 -9.301 9.578 6.202 1.00 1.51 H new ATOM 0 HA ASP A 84 -9.871 9.699 9.142 1.00 1.76 H new ATOM 0 HB2 ASP A 84 -8.740 11.723 7.149 1.00 2.18 H new ATOM 0 HB3 ASP A 84 -9.137 12.133 8.806 1.00 2.18 H new ATOM 1326 N ALA A 85 -12.187 9.963 7.610 1.00 3.05 N ATOM 1327 CA ALA A 85 -13.589 10.398 7.394 1.00 4.06 C ATOM 1328 C ALA A 85 -14.531 9.393 8.074 1.00 5.86 C ATOM 1329 O ALA A 85 -14.028 8.343 8.451 1.00 6.59 O ATOM 1330 CB ALA A 85 -13.861 10.441 5.892 1.00 4.46 C ATOM 0 H ALA A 85 -12.019 8.970 7.449 1.00 3.05 H new ATOM 0 HA ALA A 85 -13.754 11.388 7.820 1.00 4.06 H new ATOM 0 HB1 ALA A 85 -14.889 10.759 5.717 1.00 4.46 H new ATOM 0 HB2 ALA A 85 -13.177 11.146 5.418 1.00 4.46 H new ATOM 0 HB3 ALA A 85 -13.711 9.449 5.467 1.00 4.46 H new TER 1336 ALA A 85