USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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: P 10 SER OG : rot 180:sc= 0.461 USER MOD Set 1.2: P 14 GLN : amide:sc= 0.504 X(o=0.97,f=0.79) USER MOD Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= 0.743 K(o=0.74,f=-4.8!) USER MOD Single : P 4 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : P 6 THR OG1 : rot 70:sc= 0.784 USER MOD Single : P 7 HIS : no HD1:sc=0.000387 K(o=0.00039,f=-1.5) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0 USER MOD Single : P -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 11 GLN : amide:sc= 0.411 K(o=0.41,f=-3.7!) USER MOD Single : P 12 GLN : amide:sc= 1.35 K(o=1.3,f=-3.7!) USER MOD Single : P 19 THR OG1 : rot -170:sc= 0 USER MOD Single : P 21 GLN : amide:sc= 0.725 K(o=0.72,f=0) USER MOD Single : P 23 ASN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl -113:sc= -0.166 (180deg=-0.431) USER MOD Single : P 29 SER OG : rot 80:sc= 1.05 USER MOD Single : P 30 THR OG1 : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -78:sc= 1.18 USER MOD Single : P 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 -7.680 -5.447 20.864 1.00 0.00 N ATOM 2 CA GLY P -1 -7.360 -6.889 20.780 1.00 0.00 C ATOM 3 C GLY P -1 -6.336 -7.152 19.691 1.00 0.00 C ATOM 4 O GLY P -1 -6.604 -6.877 18.519 1.00 0.00 O ATOM 0 H1 GLY P -1 -8.382 -5.290 21.615 1.00 0.00 H new ATOM 0 H2 GLY P -1 -6.815 -4.912 21.081 1.00 0.00 H new ATOM 0 H3 GLY P -1 -8.068 -5.124 19.955 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -6.975 -7.237 21.739 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -8.268 -7.456 20.576 1.00 0.00 H new ATOM 10 N SER P 0 -5.167 -7.685 20.064 1.00 0.00 N ATOM 11 CA SER P 0 -3.999 -7.859 19.171 1.00 0.00 C ATOM 12 C SER P 0 -3.438 -9.291 19.141 1.00 0.00 C ATOM 13 O SER P 0 -2.707 -9.653 18.218 1.00 0.00 O ATOM 14 CB SER P 0 -2.883 -6.890 19.590 1.00 0.00 C ATOM 15 OG SER P 0 -3.350 -5.547 19.577 1.00 0.00 O ATOM 0 H SER P 0 -4.996 -8.017 21.013 1.00 0.00 H new ATOM 0 HA SER P 0 -4.355 -7.644 18.163 1.00 0.00 H new ATOM 0 HB2 SER P 0 -2.528 -7.147 20.588 1.00 0.00 H new ATOM 0 HB3 SER P 0 -2.034 -6.991 18.914 1.00 0.00 H new ATOM 0 HG SER P 0 -2.625 -4.946 19.848 1.00 0.00 H new ATOM 21 N GLN P 1 -3.772 -10.117 20.137 1.00 0.00 N ATOM 22 CA GLN P 1 -3.221 -11.457 20.352 1.00 0.00 C ATOM 23 C GLN P 1 -3.743 -12.502 19.346 1.00 0.00 C ATOM 24 O GLN P 1 -4.927 -12.507 19.004 1.00 0.00 O ATOM 25 CB GLN P 1 -3.423 -11.884 21.824 1.00 0.00 C ATOM 26 CG GLN P 1 -4.863 -12.207 22.287 1.00 0.00 C ATOM 27 CD GLN P 1 -5.822 -11.019 22.448 1.00 0.00 C ATOM 28 OE1 GLN P 1 -5.479 -9.847 22.342 1.00 0.00 O ATOM 29 NE2 GLN P 1 -7.081 -11.277 22.725 1.00 0.00 N ATOM 0 H GLN P 1 -4.461 -9.859 20.843 1.00 0.00 H new ATOM 0 HA GLN P 1 -2.149 -11.407 20.158 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -2.807 -12.765 22.005 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -3.037 -11.088 22.460 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -5.302 -12.903 21.572 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -4.804 -12.727 23.243 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -7.395 -12.243 22.819 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -7.744 -10.511 22.846 1.00 0.00 H new ATOM 38 N ARG P 2 -2.852 -13.397 18.888 1.00 0.00 N ATOM 39 CA ARG P 2 -3.095 -14.525 17.953 1.00 0.00 C ATOM 40 C ARG P 2 -3.885 -14.206 16.665 1.00 0.00 C ATOM 41 O ARG P 2 -4.505 -15.096 16.078 1.00 0.00 O ATOM 42 CB ARG P 2 -3.580 -15.782 18.713 1.00 0.00 C ATOM 43 CG ARG P 2 -4.991 -15.679 19.322 1.00 0.00 C ATOM 44 CD ARG P 2 -5.489 -17.018 19.887 1.00 0.00 C ATOM 45 NE ARG P 2 -4.692 -17.465 21.051 1.00 0.00 N ATOM 46 CZ ARG P 2 -3.818 -18.457 21.104 1.00 0.00 C ATOM 47 NH1 ARG P 2 -3.531 -19.195 20.069 1.00 0.00 N ATOM 48 NH2 ARG P 2 -3.202 -18.728 22.219 1.00 0.00 N ATOM 0 H ARG P 2 -1.875 -13.355 19.177 1.00 0.00 H new ATOM 0 HA ARG P 2 -2.117 -14.752 17.529 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -3.558 -16.631 18.029 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -2.872 -15.999 19.513 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -4.986 -14.933 20.116 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -5.687 -15.329 18.560 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -6.534 -16.920 20.181 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -5.447 -17.778 19.107 1.00 0.00 H new ATOM 0 HE ARG P 2 -4.834 -16.946 21.917 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -3.987 -19.017 19.174 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -2.851 -19.950 20.154 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -3.393 -18.175 23.055 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -2.529 -19.493 22.257 1.00 0.00 H new ATOM 62 N ARG P 3 -3.841 -12.955 16.185 1.00 0.00 N ATOM 63 CA ARG P 3 -4.556 -12.461 14.985 1.00 0.00 C ATOM 64 C ARG P 3 -3.873 -12.857 13.665 1.00 0.00 C ATOM 65 O ARG P 3 -3.491 -12.006 12.861 1.00 0.00 O ATOM 66 CB ARG P 3 -4.798 -10.943 15.103 1.00 0.00 C ATOM 67 CG ARG P 3 -5.897 -10.597 16.117 1.00 0.00 C ATOM 68 CD ARG P 3 -6.139 -9.087 16.222 1.00 0.00 C ATOM 69 NE ARG P 3 -6.570 -8.490 14.945 1.00 0.00 N ATOM 70 CZ ARG P 3 -7.087 -7.292 14.758 1.00 0.00 C ATOM 71 NH1 ARG P 3 -7.303 -6.456 15.734 1.00 0.00 N ATOM 72 NH2 ARG P 3 -7.389 -6.924 13.548 1.00 0.00 N ATOM 0 H ARG P 3 -3.287 -12.226 16.635 1.00 0.00 H new ATOM 0 HA ARG P 3 -5.526 -12.957 14.949 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -3.870 -10.453 15.397 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -5.072 -10.546 14.126 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -6.824 -11.092 15.827 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -5.620 -10.987 17.096 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -6.897 -8.897 16.982 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -5.223 -8.599 16.556 1.00 0.00 H new ATOM 0 HE ARG P 3 -6.455 -9.069 14.113 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -7.070 -6.719 16.692 1.00 0.00 H new ATOM 0 HH12 ARG P 3 -7.705 -5.539 15.540 1.00 0.00 H new ATOM 0 HH21 ARG P 3 -7.225 -7.558 12.766 1.00 0.00 H new ATOM 0 HH22 ARG P 3 -7.790 -6.001 13.381 1.00 0.00 H new ATOM 86 N GLN P 4 -3.760 -14.160 13.405 1.00 0.00 N ATOM 87 CA GLN P 4 -3.171 -14.706 12.168 1.00 0.00 C ATOM 88 C GLN P 4 -3.927 -14.259 10.897 1.00 0.00 C ATOM 89 O GLN P 4 -3.312 -14.067 9.847 1.00 0.00 O ATOM 90 CB GLN P 4 -3.122 -16.241 12.254 1.00 0.00 C ATOM 91 CG GLN P 4 -2.169 -16.744 13.355 1.00 0.00 C ATOM 92 CD GLN P 4 -2.062 -18.270 13.429 1.00 0.00 C ATOM 93 OE1 GLN P 4 -2.717 -19.025 12.721 1.00 0.00 O ATOM 94 NE2 GLN P 4 -1.225 -18.792 14.302 1.00 0.00 N ATOM 0 H GLN P 4 -4.078 -14.881 14.053 1.00 0.00 H new ATOM 0 HA GLN P 4 -2.160 -14.307 12.083 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -4.125 -16.622 12.445 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -2.805 -16.645 11.292 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -1.177 -16.327 13.182 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -2.510 -16.366 14.319 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -0.669 -18.183 14.902 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -1.133 -19.805 14.378 1.00 0.00 H new ATOM 103 N ARG P 5 -5.242 -14.008 10.999 1.00 0.00 N ATOM 104 CA ARG P 5 -6.099 -13.490 9.911 1.00 0.00 C ATOM 105 C ARG P 5 -5.813 -12.022 9.537 1.00 0.00 C ATOM 106 O ARG P 5 -6.136 -11.598 8.429 1.00 0.00 O ATOM 107 CB ARG P 5 -7.569 -13.719 10.322 1.00 0.00 C ATOM 108 CG ARG P 5 -8.577 -13.495 9.183 1.00 0.00 C ATOM 109 CD ARG P 5 -9.992 -13.884 9.626 1.00 0.00 C ATOM 110 NE ARG P 5 -10.973 -13.679 8.541 1.00 0.00 N ATOM 111 CZ ARG P 5 -12.270 -13.930 8.592 1.00 0.00 C ATOM 112 NH1 ARG P 5 -12.843 -14.408 9.662 1.00 0.00 N ATOM 113 NH2 ARG P 5 -13.027 -13.705 7.556 1.00 0.00 N ATOM 0 H ARG P 5 -5.757 -14.163 11.865 1.00 0.00 H new ATOM 0 HA ARG P 5 -5.873 -14.037 8.995 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -7.677 -14.738 10.695 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -7.814 -13.050 11.147 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -8.561 -12.449 8.877 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -8.288 -14.085 8.314 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -10.003 -14.929 9.936 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -10.279 -13.291 10.494 1.00 0.00 H new ATOM 0 HE ARG P 5 -10.613 -13.306 7.663 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -12.287 -14.600 10.495 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -13.847 -14.589 9.665 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -12.620 -13.333 6.698 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -14.027 -13.901 7.603 1.00 0.00 H new ATOM 127 N THR P 6 -5.183 -11.256 10.433 1.00 0.00 N ATOM 128 CA THR P 6 -4.789 -9.844 10.220 1.00 0.00 C ATOM 129 C THR P 6 -3.423 -9.708 9.519 1.00 0.00 C ATOM 130 O THR P 6 -3.076 -8.624 9.042 1.00 0.00 O ATOM 131 CB THR P 6 -4.835 -9.092 11.566 1.00 0.00 C ATOM 132 OG1 THR P 6 -6.146 -9.171 12.099 1.00 0.00 O ATOM 133 CG2 THR P 6 -4.520 -7.597 11.509 1.00 0.00 C ATOM 0 H THR P 6 -4.922 -11.603 11.356 1.00 0.00 H new ATOM 0 HA THR P 6 -5.506 -9.386 9.538 1.00 0.00 H new ATOM 0 HB THR P 6 -4.064 -9.578 12.163 1.00 0.00 H new ATOM 0 HG1 THR P 6 -6.328 -10.090 12.386 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.582 -7.174 12.511 1.00 0.00 H new ATOM 0 HG22 THR P 6 -3.514 -7.452 11.116 1.00 0.00 H new ATOM 0 HG23 THR P 6 -5.239 -7.098 10.859 1.00 0.00 H new ATOM 141 N HIS P 7 -2.648 -10.794 9.397 1.00 0.00 N ATOM 142 CA HIS P 7 -1.368 -10.823 8.669 1.00 0.00 C ATOM 143 C HIS P 7 -1.532 -10.520 7.165 1.00 0.00 C ATOM 144 O HIS P 7 -2.621 -10.657 6.601 1.00 0.00 O ATOM 145 CB HIS P 7 -0.681 -12.179 8.899 1.00 0.00 C ATOM 146 CG HIS P 7 0.729 -12.252 8.357 1.00 0.00 C ATOM 147 ND1 HIS P 7 1.686 -11.236 8.443 1.00 0.00 N ATOM 148 CD2 HIS P 7 1.262 -13.301 7.668 1.00 0.00 C ATOM 149 CE1 HIS P 7 2.779 -11.704 7.815 1.00 0.00 C ATOM 150 NE2 HIS P 7 2.550 -12.940 7.338 1.00 0.00 N ATOM 0 H HIS P 7 -2.896 -11.694 9.808 1.00 0.00 H new ATOM 0 HA HIS P 7 -0.737 -10.027 9.064 1.00 0.00 H new ATOM 0 HB2 HIS P 7 -0.660 -12.387 9.969 1.00 0.00 H new ATOM 0 HB3 HIS P 7 -1.280 -12.962 8.433 1.00 0.00 H new ATOM 0 HD2 HIS P 7 0.771 -14.232 7.428 1.00 0.00 H new ATOM 0 HE1 HIS P 7 3.708 -11.164 7.709 1.00 0.00 H new ATOM 0 HE2 HIS P 7 3.216 -13.513 6.820 1.00 0.00 H new ATOM 158 N PHE P 8 -0.450 -10.083 6.514 1.00 0.00 N ATOM 159 CA PHE P 8 -0.431 -9.741 5.086 1.00 0.00 C ATOM 160 C PHE P 8 -0.762 -10.951 4.191 1.00 0.00 C ATOM 161 O PHE P 8 -0.389 -12.087 4.500 1.00 0.00 O ATOM 162 CB PHE P 8 0.950 -9.197 4.691 1.00 0.00 C ATOM 163 CG PHE P 8 1.363 -7.878 5.319 1.00 0.00 C ATOM 164 CD1 PHE P 8 1.056 -6.663 4.676 1.00 0.00 C ATOM 165 CD2 PHE P 8 2.124 -7.862 6.505 1.00 0.00 C ATOM 166 CE1 PHE P 8 1.534 -5.447 5.196 1.00 0.00 C ATOM 167 CE2 PHE P 8 2.590 -6.645 7.032 1.00 0.00 C ATOM 168 CZ PHE P 8 2.312 -5.437 6.367 1.00 0.00 C ATOM 0 H PHE P 8 0.453 -9.954 6.971 1.00 0.00 H new ATOM 0 HA PHE P 8 -1.198 -8.982 4.932 1.00 0.00 H new ATOM 0 HB2 PHE P 8 1.698 -9.947 4.948 1.00 0.00 H new ATOM 0 HB3 PHE P 8 0.974 -9.081 3.607 1.00 0.00 H new ATOM 0 HD1 PHE P 8 0.452 -6.665 3.781 1.00 0.00 H new ATOM 0 HD2 PHE P 8 2.350 -8.789 7.011 1.00 0.00 H new ATOM 0 HE1 PHE P 8 1.303 -4.519 4.695 1.00 0.00 H new ATOM 0 HE2 PHE P 8 3.162 -6.637 7.948 1.00 0.00 H new ATOM 0 HZ PHE P 8 2.695 -4.505 6.755 1.00 0.00 H new ATOM 178 N THR P 9 -1.398 -10.694 3.044 1.00 0.00 N ATOM 179 CA THR P 9 -1.597 -11.678 1.964 1.00 0.00 C ATOM 180 C THR P 9 -0.862 -11.272 0.682 1.00 0.00 C ATOM 181 O THR P 9 -0.511 -10.103 0.490 1.00 0.00 O ATOM 182 CB THR P 9 -3.085 -11.992 1.741 1.00 0.00 C ATOM 183 OG1 THR P 9 -3.194 -13.161 0.960 1.00 0.00 O ATOM 184 CG2 THR P 9 -3.872 -10.880 1.046 1.00 0.00 C ATOM 0 H THR P 9 -1.798 -9.780 2.832 1.00 0.00 H new ATOM 0 HA THR P 9 -1.142 -12.615 2.285 1.00 0.00 H new ATOM 0 HB THR P 9 -3.518 -12.110 2.734 1.00 0.00 H new ATOM 0 HG1 THR P 9 -4.140 -13.370 0.814 1.00 0.00 H new ATOM 0 HG21 THR P 9 -4.911 -11.188 0.930 1.00 0.00 H new ATOM 0 HG22 THR P 9 -3.827 -9.972 1.647 1.00 0.00 H new ATOM 0 HG23 THR P 9 -3.439 -10.687 0.064 1.00 0.00 H new ATOM 192 N SER P 10 -0.607 -12.235 -0.207 1.00 0.00 N ATOM 193 CA SER P 10 0.269 -12.073 -1.376 1.00 0.00 C ATOM 194 C SER P 10 -0.173 -10.953 -2.326 1.00 0.00 C ATOM 195 O SER P 10 0.667 -10.220 -2.841 1.00 0.00 O ATOM 196 CB SER P 10 0.365 -13.409 -2.118 1.00 0.00 C ATOM 197 OG SER P 10 1.335 -13.340 -3.149 1.00 0.00 O ATOM 0 H SER P 10 -1.011 -13.169 -0.135 1.00 0.00 H new ATOM 0 HA SER P 10 1.250 -11.772 -1.008 1.00 0.00 H new ATOM 0 HB2 SER P 10 0.627 -14.202 -1.417 1.00 0.00 H new ATOM 0 HB3 SER P 10 -0.606 -13.666 -2.542 1.00 0.00 H new ATOM 0 HG SER P 10 1.383 -14.203 -3.611 1.00 0.00 H new ATOM 203 N GLN P 11 -1.480 -10.739 -2.508 1.00 0.00 N ATOM 204 CA GLN P 11 -2.010 -9.669 -3.365 1.00 0.00 C ATOM 205 C GLN P 11 -1.696 -8.264 -2.818 1.00 0.00 C ATOM 206 O GLN P 11 -1.393 -7.358 -3.595 1.00 0.00 O ATOM 207 CB GLN P 11 -3.527 -9.848 -3.562 1.00 0.00 C ATOM 208 CG GLN P 11 -3.901 -11.074 -4.420 1.00 0.00 C ATOM 209 CD GLN P 11 -3.856 -12.427 -3.705 1.00 0.00 C ATOM 210 OE1 GLN P 11 -3.673 -12.545 -2.501 1.00 0.00 O ATOM 211 NE2 GLN P 11 -4.026 -13.517 -4.424 1.00 0.00 N ATOM 0 H GLN P 11 -2.204 -11.304 -2.064 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.509 -9.750 -4.330 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -4.003 -9.940 -2.586 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.932 -8.951 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -4.907 -10.925 -4.813 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -3.227 -11.114 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -4.180 -13.446 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -4.003 -14.433 -3.975 1.00 0.00 H new ATOM 220 N GLN P 12 -1.695 -8.081 -1.491 1.00 0.00 N ATOM 221 CA GLN P 12 -1.300 -6.817 -0.851 1.00 0.00 C ATOM 222 C GLN P 12 0.203 -6.569 -1.031 1.00 0.00 C ATOM 223 O GLN P 12 0.618 -5.479 -1.423 1.00 0.00 O ATOM 224 CB GLN P 12 -1.639 -6.846 0.649 1.00 0.00 C ATOM 225 CG GLN P 12 -3.137 -7.018 0.949 1.00 0.00 C ATOM 226 CD GLN P 12 -3.396 -7.224 2.441 1.00 0.00 C ATOM 227 OE1 GLN P 12 -2.730 -8.000 3.115 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.377 -6.562 3.013 1.00 0.00 N ATOM 0 H GLN P 12 -1.969 -8.807 -0.828 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.854 -6.008 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.089 -7.661 1.119 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -1.291 -5.920 1.107 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.680 -6.138 0.604 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.524 -7.871 0.392 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -4.941 -5.912 2.465 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -4.574 -6.698 4.004 1.00 0.00 H new ATOM 237 N LEU P 13 1.017 -7.606 -0.804 1.00 0.00 N ATOM 238 CA LEU P 13 2.474 -7.553 -0.952 1.00 0.00 C ATOM 239 C LEU P 13 2.897 -7.306 -2.411 1.00 0.00 C ATOM 240 O LEU P 13 3.838 -6.552 -2.656 1.00 0.00 O ATOM 241 CB LEU P 13 3.077 -8.858 -0.395 1.00 0.00 C ATOM 242 CG LEU P 13 2.865 -9.060 1.121 1.00 0.00 C ATOM 243 CD1 LEU P 13 3.345 -10.452 1.530 1.00 0.00 C ATOM 244 CD2 LEU P 13 3.621 -8.028 1.961 1.00 0.00 C ATOM 0 H LEU P 13 0.675 -8.520 -0.507 1.00 0.00 H new ATOM 0 HA LEU P 13 2.859 -6.707 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.639 -9.703 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.147 -8.869 -0.605 1.00 0.00 H new ATOM 0 HG LEU P 13 1.798 -8.941 1.308 1.00 0.00 H new ATOM 0 HD11 LEU P 13 3.193 -10.589 2.601 1.00 0.00 H new ATOM 0 HD12 LEU P 13 2.780 -11.207 0.984 1.00 0.00 H new ATOM 0 HD13 LEU P 13 4.405 -10.554 1.298 1.00 0.00 H new ATOM 0 HD21 LEU P 13 3.438 -8.215 3.019 1.00 0.00 H new ATOM 0 HD22 LEU P 13 4.689 -8.106 1.758 1.00 0.00 H new ATOM 0 HD23 LEU P 13 3.275 -7.027 1.705 1.00 0.00 H new ATOM 256 N GLN P 14 2.173 -7.866 -3.384 1.00 0.00 N ATOM 257 CA GLN P 14 2.408 -7.626 -4.812 1.00 0.00 C ATOM 258 C GLN P 14 1.974 -6.227 -5.257 1.00 0.00 C ATOM 259 O GLN P 14 2.687 -5.608 -6.042 1.00 0.00 O ATOM 260 CB GLN P 14 1.708 -8.699 -5.653 1.00 0.00 C ATOM 261 CG GLN P 14 2.487 -10.017 -5.591 1.00 0.00 C ATOM 262 CD GLN P 14 1.812 -11.107 -6.421 1.00 0.00 C ATOM 263 OE1 GLN P 14 1.768 -11.058 -7.644 1.00 0.00 O ATOM 264 NE2 GLN P 14 1.246 -12.124 -5.809 1.00 0.00 N ATOM 0 H GLN P 14 1.399 -8.505 -3.202 1.00 0.00 H new ATOM 0 HA GLN P 14 3.485 -7.686 -4.972 1.00 0.00 H new ATOM 0 HB2 GLN P 14 0.692 -8.852 -5.288 1.00 0.00 H new ATOM 0 HB3 GLN P 14 1.628 -8.365 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN P 14 3.502 -9.858 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN P 14 2.567 -10.345 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN P 14 1.271 -12.185 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN P 14 0.782 -12.852 -6.352 1.00 0.00 H new ATOM 273 N GLU P 15 0.869 -5.684 -4.740 1.00 0.00 N ATOM 274 CA GLU P 15 0.477 -4.291 -5.014 1.00 0.00 C ATOM 275 C GLU P 15 1.505 -3.296 -4.440 1.00 0.00 C ATOM 276 O GLU P 15 1.819 -2.285 -5.072 1.00 0.00 O ATOM 277 CB GLU P 15 -0.929 -4.042 -4.441 1.00 0.00 C ATOM 278 CG GLU P 15 -1.570 -2.724 -4.899 1.00 0.00 C ATOM 279 CD GLU P 15 -1.944 -2.755 -6.394 1.00 0.00 C ATOM 280 OE1 GLU P 15 -3.049 -3.244 -6.736 1.00 0.00 O ATOM 281 OE2 GLU P 15 -1.142 -2.291 -7.240 1.00 0.00 O ATOM 0 H GLU P 15 0.226 -6.186 -4.128 1.00 0.00 H new ATOM 0 HA GLU P 15 0.455 -4.131 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.578 -4.869 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -0.872 -4.046 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -2.463 -2.529 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -0.879 -1.901 -4.715 1.00 0.00 H new ATOM 288 N LEU P 16 2.096 -3.617 -3.280 1.00 0.00 N ATOM 289 CA LEU P 16 3.153 -2.816 -2.651 1.00 0.00 C ATOM 290 C LEU P 16 4.470 -2.893 -3.445 1.00 0.00 C ATOM 291 O LEU P 16 5.079 -1.866 -3.748 1.00 0.00 O ATOM 292 CB LEU P 16 3.330 -3.270 -1.190 1.00 0.00 C ATOM 293 CG LEU P 16 2.218 -2.773 -0.245 1.00 0.00 C ATOM 294 CD1 LEU P 16 2.224 -3.569 1.060 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.407 -1.297 0.113 1.00 0.00 C ATOM 0 H LEU P 16 1.849 -4.451 -2.747 1.00 0.00 H new ATOM 0 HA LEU P 16 2.858 -1.767 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU P 16 3.360 -4.359 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.292 -2.914 -0.823 1.00 0.00 H new ATOM 0 HG LEU P 16 1.274 -2.908 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.432 -3.203 1.713 1.00 0.00 H new ATOM 0 HD12 LEU P 16 2.057 -4.624 0.843 1.00 0.00 H new ATOM 0 HD13 LEU P 16 3.187 -3.448 1.555 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.606 -0.979 0.780 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.368 -1.163 0.610 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.382 -0.696 -0.796 1.00 0.00 H new ATOM 307 N GLU P 17 4.875 -4.094 -3.866 1.00 0.00 N ATOM 308 CA GLU P 17 6.055 -4.309 -4.713 1.00 0.00 C ATOM 309 C GLU P 17 5.899 -3.694 -6.118 1.00 0.00 C ATOM 310 O GLU P 17 6.874 -3.189 -6.680 1.00 0.00 O ATOM 311 CB GLU P 17 6.339 -5.820 -4.774 1.00 0.00 C ATOM 312 CG GLU P 17 7.668 -6.154 -5.459 1.00 0.00 C ATOM 313 CD GLU P 17 7.952 -7.668 -5.403 1.00 0.00 C ATOM 314 OE1 GLU P 17 7.493 -8.408 -6.307 1.00 0.00 O ATOM 315 OE2 GLU P 17 8.649 -8.126 -4.466 1.00 0.00 O ATOM 0 H GLU P 17 4.387 -4.957 -3.626 1.00 0.00 H new ATOM 0 HA GLU P 17 6.907 -3.793 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU P 17 6.348 -6.223 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU P 17 5.528 -6.315 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU P 17 7.639 -5.824 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU P 17 8.478 -5.610 -4.974 1.00 0.00 H new ATOM 322 N ALA P 18 4.684 -3.684 -6.679 1.00 0.00 N ATOM 323 CA ALA P 18 4.374 -3.073 -7.971 1.00 0.00 C ATOM 324 C ALA P 18 4.353 -1.536 -7.913 1.00 0.00 C ATOM 325 O ALA P 18 4.964 -0.887 -8.764 1.00 0.00 O ATOM 326 CB ALA P 18 3.042 -3.632 -8.486 1.00 0.00 C ATOM 0 H ALA P 18 3.872 -4.112 -6.234 1.00 0.00 H new ATOM 0 HA ALA P 18 5.172 -3.331 -8.668 1.00 0.00 H new ATOM 0 HB1 ALA P 18 2.806 -3.180 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA P 18 3.122 -4.713 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA P 18 2.251 -3.401 -7.773 1.00 0.00 H new ATOM 332 N THR P 19 3.715 -0.929 -6.902 1.00 0.00 N ATOM 333 CA THR P 19 3.682 0.541 -6.785 1.00 0.00 C ATOM 334 C THR P 19 5.070 1.116 -6.482 1.00 0.00 C ATOM 335 O THR P 19 5.430 2.154 -7.036 1.00 0.00 O ATOM 336 CB THR P 19 2.606 1.026 -5.795 1.00 0.00 C ATOM 337 OG1 THR P 19 2.288 2.378 -6.052 1.00 0.00 O ATOM 338 CG2 THR P 19 2.981 0.920 -4.319 1.00 0.00 C ATOM 0 H THR P 19 3.219 -1.424 -6.160 1.00 0.00 H new ATOM 0 HA THR P 19 3.388 0.933 -7.759 1.00 0.00 H new ATOM 0 HB THR P 19 1.764 0.355 -5.962 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.726 2.725 -5.328 1.00 0.00 H new ATOM 0 HG21 THR P 19 2.157 1.286 -3.707 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.184 -0.121 -4.069 1.00 0.00 H new ATOM 0 HG23 THR P 19 3.871 1.519 -4.126 1.00 0.00 H new ATOM 346 N PHE P 20 5.901 0.406 -5.706 1.00 0.00 N ATOM 347 CA PHE P 20 7.284 0.805 -5.420 1.00 0.00 C ATOM 348 C PHE P 20 8.157 0.919 -6.685 1.00 0.00 C ATOM 349 O PHE P 20 8.997 1.815 -6.763 1.00 0.00 O ATOM 350 CB PHE P 20 7.895 -0.197 -4.428 1.00 0.00 C ATOM 351 CG PHE P 20 9.341 0.098 -4.070 1.00 0.00 C ATOM 352 CD1 PHE P 20 9.654 1.204 -3.256 1.00 0.00 C ATOM 353 CD2 PHE P 20 10.378 -0.706 -4.581 1.00 0.00 C ATOM 354 CE1 PHE P 20 10.994 1.505 -2.956 1.00 0.00 C ATOM 355 CE2 PHE P 20 11.719 -0.405 -4.280 1.00 0.00 C ATOM 356 CZ PHE P 20 12.029 0.704 -3.472 1.00 0.00 C ATOM 0 H PHE P 20 5.629 -0.468 -5.256 1.00 0.00 H new ATOM 0 HA PHE P 20 7.259 1.804 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.298 -0.201 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE P 20 7.833 -1.199 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE P 20 8.862 1.823 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE P 20 10.143 -1.555 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE P 20 11.229 2.352 -2.329 1.00 0.00 H new ATOM 0 HE2 PHE P 20 12.512 -1.026 -4.670 1.00 0.00 H new ATOM 0 HZ PHE P 20 13.059 0.940 -3.248 1.00 0.00 H new ATOM 366 N GLN P 21 7.941 0.057 -7.689 1.00 0.00 N ATOM 367 CA GLN P 21 8.733 0.019 -8.932 1.00 0.00 C ATOM 368 C GLN P 21 8.112 0.771 -10.129 1.00 0.00 C ATOM 369 O GLN P 21 8.738 0.837 -11.192 1.00 0.00 O ATOM 370 CB GLN P 21 9.116 -1.434 -9.264 1.00 0.00 C ATOM 371 CG GLN P 21 7.939 -2.287 -9.755 1.00 0.00 C ATOM 372 CD GLN P 21 8.338 -3.748 -9.928 1.00 0.00 C ATOM 373 OE1 GLN P 21 8.772 -4.185 -10.986 1.00 0.00 O ATOM 374 NE2 GLN P 21 8.217 -4.546 -8.890 1.00 0.00 N ATOM 0 H GLN P 21 7.201 -0.645 -7.662 1.00 0.00 H new ATOM 0 HA GLN P 21 9.643 0.587 -8.737 1.00 0.00 H new ATOM 0 HB2 GLN P 21 9.893 -1.430 -10.028 1.00 0.00 H new ATOM 0 HB3 GLN P 21 9.544 -1.899 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN P 21 7.116 -2.216 -9.044 1.00 0.00 H new ATOM 0 HG3 GLN P 21 7.575 -1.894 -10.704 1.00 0.00 H new ATOM 0 HE21 GLN P 21 7.856 -4.184 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN P 21 8.485 -5.527 -8.967 1.00 0.00 H new ATOM 383 N ARG P 22 6.912 1.353 -9.984 1.00 0.00 N ATOM 384 CA ARG P 22 6.217 2.134 -11.039 1.00 0.00 C ATOM 385 C ARG P 22 5.868 3.574 -10.639 1.00 0.00 C ATOM 386 O ARG P 22 5.766 4.436 -11.511 1.00 0.00 O ATOM 387 CB ARG P 22 4.965 1.368 -11.515 1.00 0.00 C ATOM 388 CG ARG P 22 5.260 -0.010 -12.135 1.00 0.00 C ATOM 389 CD ARG P 22 6.113 0.067 -13.411 1.00 0.00 C ATOM 390 NE ARG P 22 6.475 -1.279 -13.898 1.00 0.00 N ATOM 391 CZ ARG P 22 7.632 -1.904 -13.747 1.00 0.00 C ATOM 392 NH1 ARG P 22 8.644 -1.381 -13.112 1.00 0.00 N ATOM 393 NH2 ARG P 22 7.795 -3.099 -14.237 1.00 0.00 N ATOM 0 H ARG P 22 6.380 1.297 -9.115 1.00 0.00 H new ATOM 0 HA ARG P 22 6.925 2.238 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG P 22 4.291 1.235 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG P 22 4.438 1.978 -12.249 1.00 0.00 H new ATOM 0 HG2 ARG P 22 5.774 -0.629 -11.400 1.00 0.00 H new ATOM 0 HG3 ARG P 22 4.317 -0.506 -12.366 1.00 0.00 H new ATOM 0 HD2 ARG P 22 5.563 0.601 -14.186 1.00 0.00 H new ATOM 0 HD3 ARG P 22 7.019 0.639 -13.211 1.00 0.00 H new ATOM 0 HE ARG P 22 5.751 -1.785 -14.409 1.00 0.00 H new ATOM 0 HH11 ARG P 22 8.564 -0.449 -12.705 1.00 0.00 H new ATOM 0 HH12 ARG P 22 9.515 -1.904 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG P 22 7.031 -3.554 -14.737 1.00 0.00 H new ATOM 0 HH22 ARG P 22 8.687 -3.581 -14.121 1.00 0.00 H new ATOM 407 N ASN P 23 5.758 3.855 -9.341 1.00 0.00 N ATOM 408 CA ASN P 23 5.639 5.192 -8.756 1.00 0.00 C ATOM 409 C ASN P 23 6.726 5.335 -7.669 1.00 0.00 C ATOM 410 O ASN P 23 6.432 5.317 -6.471 1.00 0.00 O ATOM 411 CB ASN P 23 4.190 5.384 -8.260 1.00 0.00 C ATOM 412 CG ASN P 23 3.883 6.826 -7.888 1.00 0.00 C ATOM 413 OD1 ASN P 23 3.171 7.537 -8.584 1.00 0.00 O ATOM 414 ND2 ASN P 23 4.423 7.315 -6.796 1.00 0.00 N ATOM 0 H ASN P 23 5.749 3.121 -8.633 1.00 0.00 H new ATOM 0 HA ASN P 23 5.815 5.992 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN P 23 3.498 5.058 -9.037 1.00 0.00 H new ATOM 0 HB3 ASN P 23 4.019 4.745 -7.393 1.00 0.00 H new ATOM 0 HD21 ASN P 23 4.248 8.284 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN P 23 5.017 6.726 -6.213 1.00 0.00 H new ATOM 421 N ARG P 24 7.994 5.410 -8.105 1.00 0.00 N ATOM 422 CA ARG P 24 9.201 5.319 -7.260 1.00 0.00 C ATOM 423 C ARG P 24 9.124 6.232 -6.030 1.00 0.00 C ATOM 424 O ARG P 24 8.903 7.436 -6.169 1.00 0.00 O ATOM 425 CB ARG P 24 10.465 5.650 -8.084 1.00 0.00 C ATOM 426 CG ARG P 24 10.662 4.854 -9.388 1.00 0.00 C ATOM 427 CD ARG P 24 10.665 3.335 -9.177 1.00 0.00 C ATOM 428 NE ARG P 24 10.941 2.604 -10.430 1.00 0.00 N ATOM 429 CZ ARG P 24 12.118 2.311 -10.955 1.00 0.00 C ATOM 430 NH1 ARG P 24 13.241 2.682 -10.408 1.00 0.00 N ATOM 431 NH2 ARG P 24 12.182 1.627 -12.059 1.00 0.00 N ATOM 0 H ARG P 24 8.217 5.540 -9.092 1.00 0.00 H new ATOM 0 HA ARG P 24 9.259 4.291 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG P 24 10.443 6.711 -8.332 1.00 0.00 H new ATOM 0 HB3 ARG P 24 11.337 5.489 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG P 24 9.868 5.115 -10.088 1.00 0.00 H new ATOM 0 HG3 ARG P 24 11.604 5.152 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG P 24 11.416 3.074 -8.432 1.00 0.00 H new ATOM 0 HD3 ARG P 24 9.699 3.022 -8.780 1.00 0.00 H new ATOM 0 HE ARG P 24 10.125 2.287 -10.953 1.00 0.00 H new ATOM 0 HH11 ARG P 24 13.233 3.220 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG P 24 14.128 2.435 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG P 24 11.325 1.318 -12.518 1.00 0.00 H new ATOM 0 HH22 ARG P 24 13.089 1.400 -12.466 1.00 0.00 H new ATOM 445 N TYR P 25 9.337 5.648 -4.848 1.00 0.00 N ATOM 446 CA TYR P 25 9.353 6.326 -3.540 1.00 0.00 C ATOM 447 C TYR P 25 8.125 7.249 -3.326 1.00 0.00 C ATOM 448 O TYR P 25 8.266 8.478 -3.306 1.00 0.00 O ATOM 449 CB TYR P 25 10.716 7.014 -3.348 1.00 0.00 C ATOM 450 CG TYR P 25 11.894 6.089 -3.605 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.242 5.112 -2.651 1.00 0.00 C ATOM 452 CD2 TYR P 25 12.592 6.161 -4.827 1.00 0.00 C ATOM 453 CE1 TYR P 25 13.294 4.214 -2.917 1.00 0.00 C ATOM 454 CE2 TYR P 25 13.653 5.271 -5.089 1.00 0.00 C ATOM 455 CZ TYR P 25 14.008 4.294 -4.131 1.00 0.00 C ATOM 456 OH TYR P 25 15.030 3.429 -4.372 1.00 0.00 O ATOM 0 H TYR P 25 9.511 4.646 -4.768 1.00 0.00 H new ATOM 0 HA TYR P 25 9.247 5.587 -2.746 1.00 0.00 H new ATOM 0 HB2 TYR P 25 10.781 7.870 -4.019 1.00 0.00 H new ATOM 0 HB3 TYR P 25 10.781 7.401 -2.331 1.00 0.00 H new ATOM 0 HD1 TYR P 25 11.703 5.052 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR P 25 12.313 6.900 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR P 25 13.555 3.461 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR P 25 14.195 5.335 -6.021 1.00 0.00 H new ATOM 0 HH TYR P 25 15.417 3.617 -5.253 1.00 0.00 H new ATOM 466 N PRO P 26 6.907 6.677 -3.207 1.00 0.00 N ATOM 467 CA PRO P 26 5.645 7.422 -3.223 1.00 0.00 C ATOM 468 C PRO P 26 5.507 8.440 -2.083 1.00 0.00 C ATOM 469 O PRO P 26 5.997 8.228 -0.973 1.00 0.00 O ATOM 470 CB PRO P 26 4.534 6.364 -3.169 1.00 0.00 C ATOM 471 CG PRO P 26 5.209 5.154 -2.529 1.00 0.00 C ATOM 472 CD PRO P 26 6.645 5.252 -3.032 1.00 0.00 C ATOM 0 HA PRO P 26 5.591 8.032 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO P 26 3.685 6.707 -2.578 1.00 0.00 H new ATOM 0 HB3 PRO P 26 4.156 6.130 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO P 26 5.160 5.194 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO P 26 4.737 4.220 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO P 26 7.341 4.811 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO P 26 6.768 4.713 -3.971 1.00 0.00 H new ATOM 480 N ASP P 27 4.783 9.529 -2.349 1.00 0.00 N ATOM 481 CA ASP P 27 4.351 10.496 -1.335 1.00 0.00 C ATOM 482 C ASP P 27 3.328 9.860 -0.378 1.00 0.00 C ATOM 483 O ASP P 27 2.574 8.966 -0.763 1.00 0.00 O ATOM 484 CB ASP P 27 3.755 11.731 -2.033 1.00 0.00 C ATOM 485 CG ASP P 27 3.328 12.810 -1.026 1.00 0.00 C ATOM 486 OD1 ASP P 27 4.196 13.600 -0.587 1.00 0.00 O ATOM 487 OD2 ASP P 27 2.134 12.838 -0.643 1.00 0.00 O ATOM 0 H ASP P 27 4.475 9.769 -3.291 1.00 0.00 H new ATOM 0 HA ASP P 27 5.212 10.803 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP P 27 4.490 12.148 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP P 27 2.894 11.430 -2.629 1.00 0.00 H new ATOM 492 N MET P 28 3.266 10.338 0.864 1.00 0.00 N ATOM 493 CA MET P 28 2.359 9.846 1.908 1.00 0.00 C ATOM 494 C MET P 28 0.874 9.888 1.495 1.00 0.00 C ATOM 495 O MET P 28 0.098 9.032 1.924 1.00 0.00 O ATOM 496 CB MET P 28 2.592 10.657 3.194 1.00 0.00 C ATOM 497 CG MET P 28 3.904 10.299 3.917 1.00 0.00 C ATOM 498 SD MET P 28 5.481 10.534 3.036 1.00 0.00 S ATOM 499 CE MET P 28 5.468 12.328 2.760 1.00 0.00 C ATOM 0 H MET P 28 3.862 11.101 1.184 1.00 0.00 H new ATOM 0 HA MET P 28 2.588 8.794 2.077 1.00 0.00 H new ATOM 0 HB2 MET P 28 2.600 11.719 2.948 1.00 0.00 H new ATOM 0 HB3 MET P 28 1.756 10.494 3.874 1.00 0.00 H new ATOM 0 HG2 MET P 28 3.947 10.887 4.834 1.00 0.00 H new ATOM 0 HG3 MET P 28 3.843 9.252 4.212 1.00 0.00 H new ATOM 0 HE1 MET P 28 5.378 12.531 1.693 1.00 0.00 H new ATOM 0 HE2 MET P 28 4.622 12.771 3.286 1.00 0.00 H new ATOM 0 HE3 MET P 28 6.396 12.761 3.135 1.00 0.00 H new ATOM 509 N SER P 29 0.481 10.813 0.612 1.00 0.00 N ATOM 510 CA SER P 29 -0.865 10.862 0.014 1.00 0.00 C ATOM 511 C SER P 29 -1.135 9.632 -0.866 1.00 0.00 C ATOM 512 O SER P 29 -2.184 8.996 -0.756 1.00 0.00 O ATOM 513 CB SER P 29 -1.043 12.129 -0.841 1.00 0.00 C ATOM 514 OG SER P 29 -0.567 13.291 -0.182 1.00 0.00 O ATOM 0 H SER P 29 1.094 11.560 0.286 1.00 0.00 H new ATOM 0 HA SER P 29 -1.576 10.874 0.840 1.00 0.00 H new ATOM 0 HB2 SER P 29 -0.512 12.006 -1.785 1.00 0.00 H new ATOM 0 HB3 SER P 29 -2.098 12.257 -1.083 1.00 0.00 H new ATOM 0 HG SER P 29 0.409 13.335 -0.260 1.00 0.00 H new ATOM 520 N THR P 30 -0.158 9.245 -1.692 1.00 0.00 N ATOM 521 CA THR P 30 -0.207 8.045 -2.541 1.00 0.00 C ATOM 522 C THR P 30 -0.138 6.772 -1.694 1.00 0.00 C ATOM 523 O THR P 30 -0.907 5.843 -1.939 1.00 0.00 O ATOM 524 CB THR P 30 0.932 8.064 -3.577 1.00 0.00 C ATOM 525 OG1 THR P 30 0.895 9.275 -4.304 1.00 0.00 O ATOM 526 CG2 THR P 30 0.833 6.922 -4.591 1.00 0.00 C ATOM 0 H THR P 30 0.711 9.769 -1.793 1.00 0.00 H new ATOM 0 HA THR P 30 -1.158 8.049 -3.073 1.00 0.00 H new ATOM 0 HB THR P 30 1.859 7.954 -3.014 1.00 0.00 H new ATOM 0 HG1 THR P 30 1.622 9.284 -4.961 1.00 0.00 H new ATOM 0 HG21 THR P 30 1.662 6.988 -5.295 1.00 0.00 H new ATOM 0 HG22 THR P 30 0.876 5.967 -4.068 1.00 0.00 H new ATOM 0 HG23 THR P 30 -0.110 6.997 -5.133 1.00 0.00 H new ATOM 534 N ARG P 31 0.710 6.741 -0.651 1.00 0.00 N ATOM 535 CA ARG P 31 0.765 5.629 0.324 1.00 0.00 C ATOM 536 C ARG P 31 -0.589 5.388 1.000 1.00 0.00 C ATOM 537 O ARG P 31 -0.989 4.239 1.162 1.00 0.00 O ATOM 538 CB ARG P 31 1.841 5.864 1.401 1.00 0.00 C ATOM 539 CG ARG P 31 3.260 5.953 0.827 1.00 0.00 C ATOM 540 CD ARG P 31 4.304 6.166 1.930 1.00 0.00 C ATOM 541 NE ARG P 31 5.545 6.710 1.354 1.00 0.00 N ATOM 542 CZ ARG P 31 6.750 6.763 1.879 1.00 0.00 C ATOM 543 NH1 ARG P 31 7.041 6.250 3.040 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.690 7.362 1.211 1.00 0.00 N ATOM 0 H ARG P 31 1.379 7.486 -0.457 1.00 0.00 H new ATOM 0 HA ARG P 31 1.029 4.740 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.614 6.786 1.937 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.801 5.054 2.129 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.490 5.039 0.280 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.313 6.774 0.112 1.00 0.00 H new ATOM 0 HD2 ARG P 31 3.914 6.850 2.684 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.511 5.221 2.433 1.00 0.00 H new ATOM 0 HE ARG P 31 5.458 7.101 0.416 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.318 5.781 3.586 1.00 0.00 H new ATOM 0 HH12 ARG P 31 7.992 6.317 3.404 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.485 7.777 0.302 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.633 7.417 1.596 1.00 0.00 H new ATOM 558 N GLU P 32 -1.320 6.445 1.354 1.00 0.00 N ATOM 559 CA GLU P 32 -2.662 6.326 1.940 1.00 0.00 C ATOM 560 C GLU P 32 -3.699 5.799 0.930 1.00 0.00 C ATOM 561 O GLU P 32 -4.499 4.932 1.280 1.00 0.00 O ATOM 562 CB GLU P 32 -3.080 7.680 2.541 1.00 0.00 C ATOM 563 CG GLU P 32 -4.418 7.610 3.289 1.00 0.00 C ATOM 564 CD GLU P 32 -4.792 8.977 3.894 1.00 0.00 C ATOM 565 OE1 GLU P 32 -5.301 9.855 3.154 1.00 0.00 O ATOM 566 OE2 GLU P 32 -4.602 9.180 5.118 1.00 0.00 O ATOM 0 H GLU P 32 -1.002 7.408 1.244 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.624 5.583 2.737 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -2.304 8.024 3.225 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.153 8.420 1.744 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -5.203 7.285 2.606 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -4.356 6.864 4.081 1.00 0.00 H new ATOM 573 N GLU P 33 -3.668 6.241 -0.331 1.00 0.00 N ATOM 574 CA GLU P 33 -4.554 5.696 -1.373 1.00 0.00 C ATOM 575 C GLU P 33 -4.276 4.209 -1.642 1.00 0.00 C ATOM 576 O GLU P 33 -5.215 3.413 -1.653 1.00 0.00 O ATOM 577 CB GLU P 33 -4.448 6.507 -2.675 1.00 0.00 C ATOM 578 CG GLU P 33 -5.121 7.879 -2.553 1.00 0.00 C ATOM 579 CD GLU P 33 -5.107 8.624 -3.902 1.00 0.00 C ATOM 580 OE1 GLU P 33 -4.095 9.289 -4.230 1.00 0.00 O ATOM 581 OE2 GLU P 33 -6.120 8.562 -4.642 1.00 0.00 O ATOM 0 H GLU P 33 -3.040 6.975 -0.658 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.574 5.780 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.398 6.640 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -4.909 5.948 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -6.149 7.755 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.606 8.475 -1.799 1.00 0.00 H new ATOM 588 N ILE P 34 -3.011 3.784 -1.768 1.00 0.00 N ATOM 589 CA ILE P 34 -2.705 2.355 -1.952 1.00 0.00 C ATOM 590 C ILE P 34 -2.984 1.529 -0.684 1.00 0.00 C ATOM 591 O ILE P 34 -3.307 0.347 -0.797 1.00 0.00 O ATOM 592 CB ILE P 34 -1.313 2.105 -2.576 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.101 2.446 -1.693 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.177 2.874 -3.901 1.00 0.00 C ATOM 595 CD1 ILE P 34 0.222 1.395 -0.629 1.00 0.00 C ATOM 0 H ILE P 34 -2.195 4.395 -1.747 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.406 1.983 -2.699 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.284 1.025 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.772 2.579 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.284 3.401 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.192 2.689 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -1.945 2.537 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.298 3.941 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE P 34 1.090 1.716 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.633 1.277 0.037 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.440 0.443 -1.113 1.00 0.00 H new ATOM 607 N ALA P 35 -2.960 2.135 0.511 1.00 0.00 N ATOM 608 CA ALA P 35 -3.404 1.494 1.752 1.00 0.00 C ATOM 609 C ALA P 35 -4.919 1.221 1.723 1.00 0.00 C ATOM 610 O ALA P 35 -5.348 0.105 2.003 1.00 0.00 O ATOM 611 CB ALA P 35 -2.999 2.351 2.961 1.00 0.00 C ATOM 0 H ALA P 35 -2.629 3.091 0.642 1.00 0.00 H new ATOM 0 HA ALA P 35 -2.910 0.527 1.845 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.333 1.867 3.879 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -1.915 2.460 2.983 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.461 3.335 2.881 1.00 0.00 H new ATOM 617 N VAL P 36 -5.731 2.190 1.285 1.00 0.00 N ATOM 618 CA VAL P 36 -7.174 2.015 1.034 1.00 0.00 C ATOM 619 C VAL P 36 -7.425 0.910 -0.001 1.00 0.00 C ATOM 620 O VAL P 36 -8.266 0.039 0.227 1.00 0.00 O ATOM 621 CB VAL P 36 -7.804 3.357 0.595 1.00 0.00 C ATOM 622 CG1 VAL P 36 -9.232 3.238 0.054 1.00 0.00 C ATOM 623 CG2 VAL P 36 -7.860 4.337 1.772 1.00 0.00 C ATOM 0 H VAL P 36 -5.402 3.136 1.090 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.653 1.701 1.961 1.00 0.00 H new ATOM 0 HB VAL P 36 -7.158 3.709 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -9.597 4.225 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -9.237 2.584 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -9.879 2.820 0.825 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.306 5.275 1.443 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -8.463 3.909 2.573 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -6.850 4.524 2.138 1.00 0.00 H new ATOM 633 N TRP P 37 -6.669 0.883 -1.104 1.00 0.00 N ATOM 634 CA TRP P 37 -6.839 -0.101 -2.185 1.00 0.00 C ATOM 635 C TRP P 37 -6.430 -1.531 -1.776 1.00 0.00 C ATOM 636 O TRP P 37 -7.042 -2.499 -2.230 1.00 0.00 O ATOM 637 CB TRP P 37 -6.051 0.357 -3.422 1.00 0.00 C ATOM 638 CG TRP P 37 -6.374 1.697 -4.021 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.386 2.521 -3.662 1.00 0.00 C ATOM 640 CD2 TRP P 37 -5.641 2.414 -5.064 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.333 3.686 -4.404 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.266 3.682 -5.274 1.00 0.00 C ATOM 643 CE3 TRP P 37 -4.499 2.127 -5.846 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -5.780 4.617 -6.200 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -4.005 3.058 -6.781 1.00 0.00 C ATOM 646 CH2 TRP P 37 -4.639 4.301 -6.957 1.00 0.00 C ATOM 0 H TRP P 37 -5.915 1.548 -1.275 1.00 0.00 H new ATOM 0 HA TRP P 37 -7.903 -0.148 -2.417 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -4.993 0.357 -3.160 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.187 -0.395 -4.199 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.126 2.301 -2.907 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.001 4.452 -4.318 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -3.997 1.179 -5.725 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -6.276 5.567 -6.329 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -3.132 2.815 -7.368 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.250 5.011 -7.672 1.00 0.00 H new ATOM 657 N THR P 38 -5.439 -1.675 -0.889 1.00 0.00 N ATOM 658 CA THR P 38 -5.013 -2.961 -0.288 1.00 0.00 C ATOM 659 C THR P 38 -5.768 -3.323 1.000 1.00 0.00 C ATOM 660 O THR P 38 -5.560 -4.405 1.551 1.00 0.00 O ATOM 661 CB THR P 38 -3.497 -2.990 -0.017 1.00 0.00 C ATOM 662 OG1 THR P 38 -3.101 -1.892 0.767 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.668 -2.975 -1.299 1.00 0.00 C ATOM 0 H THR P 38 -4.891 -0.883 -0.555 1.00 0.00 H new ATOM 0 HA THR P 38 -5.265 -3.714 -1.035 1.00 0.00 H new ATOM 0 HB THR P 38 -3.313 -3.925 0.512 1.00 0.00 H new ATOM 0 HG1 THR P 38 -3.039 -1.093 0.203 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.608 -2.997 -1.047 1.00 0.00 H new ATOM 0 HG22 THR P 38 -2.915 -3.848 -1.903 1.00 0.00 H new ATOM 0 HG23 THR P 38 -2.888 -2.069 -1.864 1.00 0.00 H new ATOM 671 N ASN P 39 -6.657 -2.446 1.480 1.00 0.00 N ATOM 672 CA ASN P 39 -7.338 -2.513 2.781 1.00 0.00 C ATOM 673 C ASN P 39 -6.377 -2.623 3.993 1.00 0.00 C ATOM 674 O ASN P 39 -6.695 -3.249 5.008 1.00 0.00 O ATOM 675 CB ASN P 39 -8.457 -3.574 2.760 1.00 0.00 C ATOM 676 CG ASN P 39 -9.521 -3.299 1.709 1.00 0.00 C ATOM 677 OD1 ASN P 39 -10.480 -2.575 1.938 1.00 0.00 O ATOM 678 ND2 ASN P 39 -9.397 -3.866 0.528 1.00 0.00 N ATOM 0 H ASN P 39 -6.937 -1.625 0.943 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.821 -1.549 2.939 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -8.017 -4.554 2.575 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -8.928 -3.616 3.742 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -10.099 -3.701 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -8.599 -4.470 0.334 1.00 0.00 H new ATOM 685 N LEU P 40 -5.199 -2.004 3.886 1.00 0.00 N ATOM 686 CA LEU P 40 -4.215 -1.824 4.959 1.00 0.00 C ATOM 687 C LEU P 40 -4.380 -0.462 5.663 1.00 0.00 C ATOM 688 O LEU P 40 -5.085 0.432 5.186 1.00 0.00 O ATOM 689 CB LEU P 40 -2.798 -1.983 4.367 1.00 0.00 C ATOM 690 CG LEU P 40 -2.458 -3.382 3.823 1.00 0.00 C ATOM 691 CD1 LEU P 40 -1.054 -3.356 3.220 1.00 0.00 C ATOM 692 CD2 LEU P 40 -2.477 -4.438 4.928 1.00 0.00 C ATOM 0 H LEU P 40 -4.889 -1.594 3.005 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.377 -2.586 5.722 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -2.677 -1.260 3.560 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.071 -1.726 5.137 1.00 0.00 H new ATOM 0 HG LEU P 40 -3.209 -3.640 3.076 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -0.806 -4.344 2.832 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.020 -2.629 2.409 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -0.333 -3.076 3.988 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -2.232 -5.412 4.505 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.743 -4.179 5.691 1.00 0.00 H new ATOM 0 HD23 LEU P 40 -3.469 -4.477 5.377 1.00 0.00 H new ATOM 704 N THR P 41 -3.692 -0.288 6.795 1.00 0.00 N ATOM 705 CA THR P 41 -3.555 1.008 7.489 1.00 0.00 C ATOM 706 C THR P 41 -2.338 1.764 6.945 1.00 0.00 C ATOM 707 O THR P 41 -1.293 1.162 6.695 1.00 0.00 O ATOM 708 CB THR P 41 -3.456 0.803 9.013 1.00 0.00 C ATOM 709 OG1 THR P 41 -4.599 0.116 9.481 1.00 0.00 O ATOM 710 CG2 THR P 41 -3.397 2.111 9.805 1.00 0.00 C ATOM 0 H THR P 41 -3.205 -1.050 7.267 1.00 0.00 H new ATOM 0 HA THR P 41 -4.444 1.609 7.299 1.00 0.00 H new ATOM 0 HB THR P 41 -2.531 0.247 9.168 1.00 0.00 H new ATOM 0 HG1 THR P 41 -4.529 -0.013 10.450 1.00 0.00 H new ATOM 0 HG21 THR P 41 -3.328 1.889 10.870 1.00 0.00 H new ATOM 0 HG22 THR P 41 -2.522 2.684 9.497 1.00 0.00 H new ATOM 0 HG23 THR P 41 -4.298 2.693 9.613 1.00 0.00 H new ATOM 718 N GLU P 42 -2.427 3.087 6.783 1.00 0.00 N ATOM 719 CA GLU P 42 -1.345 3.888 6.179 1.00 0.00 C ATOM 720 C GLU P 42 -0.032 3.871 6.983 1.00 0.00 C ATOM 721 O GLU P 42 1.046 3.936 6.394 1.00 0.00 O ATOM 722 CB GLU P 42 -1.839 5.312 5.868 1.00 0.00 C ATOM 723 CG GLU P 42 -2.243 6.179 7.076 1.00 0.00 C ATOM 724 CD GLU P 42 -1.079 7.042 7.594 1.00 0.00 C ATOM 725 OE1 GLU P 42 -0.717 8.048 6.942 1.00 0.00 O ATOM 726 OE2 GLU P 42 -0.487 6.722 8.650 1.00 0.00 O ATOM 0 H GLU P 42 -3.241 3.634 7.062 1.00 0.00 H new ATOM 0 HA GLU P 42 -1.084 3.408 5.236 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -1.054 5.834 5.321 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -2.697 5.237 5.200 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -3.074 6.826 6.794 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.599 5.534 7.879 1.00 0.00 H new ATOM 733 N ALA P 43 -0.097 3.683 8.306 1.00 0.00 N ATOM 734 CA ALA P 43 1.084 3.521 9.157 1.00 0.00 C ATOM 735 C ALA P 43 1.768 2.154 8.958 1.00 0.00 C ATOM 736 O ALA P 43 2.995 2.076 8.886 1.00 0.00 O ATOM 737 CB ALA P 43 0.668 3.747 10.616 1.00 0.00 C ATOM 0 H ALA P 43 -0.978 3.639 8.819 1.00 0.00 H new ATOM 0 HA ALA P 43 1.831 4.262 8.873 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.536 3.630 11.264 1.00 0.00 H new ATOM 0 HB2 ALA P 43 0.265 4.754 10.728 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -0.093 3.018 10.894 1.00 0.00 H new ATOM 743 N ARG P 44 0.985 1.081 8.784 1.00 0.00 N ATOM 744 CA ARG P 44 1.476 -0.269 8.442 1.00 0.00 C ATOM 745 C ARG P 44 2.124 -0.291 7.053 1.00 0.00 C ATOM 746 O ARG P 44 3.172 -0.907 6.866 1.00 0.00 O ATOM 747 CB ARG P 44 0.297 -1.247 8.579 1.00 0.00 C ATOM 748 CG ARG P 44 0.627 -2.698 8.208 1.00 0.00 C ATOM 749 CD ARG P 44 -0.582 -3.583 8.538 1.00 0.00 C ATOM 750 NE ARG P 44 -0.413 -4.955 8.031 1.00 0.00 N ATOM 751 CZ ARG P 44 -1.244 -5.960 8.222 1.00 0.00 C ATOM 752 NH1 ARG P 44 -2.322 -5.864 8.942 1.00 0.00 N ATOM 753 NH2 ARG P 44 -1.019 -7.117 7.685 1.00 0.00 N ATOM 0 H ARG P 44 -0.030 1.124 8.878 1.00 0.00 H new ATOM 0 HA ARG P 44 2.266 -0.577 9.126 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.062 -1.221 9.608 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.521 -0.901 7.947 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.869 -2.770 7.148 1.00 0.00 H new ATOM 0 HG3 ARG P 44 1.504 -3.038 8.759 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -0.728 -3.610 9.618 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -1.482 -3.145 8.106 1.00 0.00 H new ATOM 0 HE ARG P 44 0.425 -5.145 7.481 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -2.558 -4.979 9.391 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -2.932 -6.673 9.058 1.00 0.00 H new ATOM 0 HH21 ARG P 44 -0.191 -7.258 7.107 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -1.670 -7.887 7.841 1.00 0.00 H new ATOM 767 N VAL P 45 1.560 0.461 6.106 1.00 0.00 N ATOM 768 CA VAL P 45 2.150 0.704 4.778 1.00 0.00 C ATOM 769 C VAL P 45 3.444 1.526 4.869 1.00 0.00 C ATOM 770 O VAL P 45 4.433 1.167 4.232 1.00 0.00 O ATOM 771 CB VAL P 45 1.097 1.349 3.857 1.00 0.00 C ATOM 772 CG1 VAL P 45 1.683 1.938 2.576 1.00 0.00 C ATOM 773 CG2 VAL P 45 0.058 0.291 3.466 1.00 0.00 C ATOM 0 H VAL P 45 0.663 0.929 6.238 1.00 0.00 H new ATOM 0 HA VAL P 45 2.442 -0.250 4.339 1.00 0.00 H new ATOM 0 HB VAL P 45 0.654 2.170 4.421 1.00 0.00 H new ATOM 0 HG11 VAL P 45 0.884 2.375 1.977 1.00 0.00 H new ATOM 0 HG12 VAL P 45 2.409 2.710 2.830 1.00 0.00 H new ATOM 0 HG13 VAL P 45 2.175 1.150 2.005 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -0.691 0.740 2.814 1.00 0.00 H new ATOM 0 HG22 VAL P 45 0.552 -0.527 2.942 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -0.426 -0.093 4.364 1.00 0.00 H new ATOM 783 N ARG P 46 3.503 2.572 5.704 1.00 0.00 N ATOM 784 CA ARG P 46 4.735 3.348 5.952 1.00 0.00 C ATOM 785 C ARG P 46 5.854 2.479 6.543 1.00 0.00 C ATOM 786 O ARG P 46 6.998 2.583 6.104 1.00 0.00 O ATOM 787 CB ARG P 46 4.383 4.555 6.839 1.00 0.00 C ATOM 788 CG ARG P 46 5.545 5.546 7.022 1.00 0.00 C ATOM 789 CD ARG P 46 5.143 6.746 7.895 1.00 0.00 C ATOM 790 NE ARG P 46 4.113 7.587 7.246 1.00 0.00 N ATOM 791 CZ ARG P 46 2.815 7.620 7.506 1.00 0.00 C ATOM 792 NH1 ARG P 46 2.275 6.943 8.475 1.00 0.00 N ATOM 793 NH2 ARG P 46 2.018 8.339 6.776 1.00 0.00 N ATOM 0 H ARG P 46 2.697 2.909 6.231 1.00 0.00 H new ATOM 0 HA ARG P 46 5.133 3.714 5.006 1.00 0.00 H new ATOM 0 HB2 ARG P 46 3.534 5.081 6.402 1.00 0.00 H new ATOM 0 HB3 ARG P 46 4.066 4.195 7.818 1.00 0.00 H new ATOM 0 HG2 ARG P 46 6.391 5.033 7.478 1.00 0.00 H new ATOM 0 HG3 ARG P 46 5.876 5.902 6.046 1.00 0.00 H new ATOM 0 HD2 ARG P 46 4.766 6.387 8.853 1.00 0.00 H new ATOM 0 HD3 ARG P 46 6.024 7.352 8.106 1.00 0.00 H new ATOM 0 HE ARG P 46 4.441 8.215 6.512 1.00 0.00 H new ATOM 0 HH11 ARG P 46 2.856 6.355 9.072 1.00 0.00 H new ATOM 0 HH12 ARG P 46 1.270 6.999 8.638 1.00 0.00 H new ATOM 0 HH21 ARG P 46 2.391 8.882 5.997 1.00 0.00 H new ATOM 0 HH22 ARG P 46 1.019 8.361 6.981 1.00 0.00 H new ATOM 807 N VAL P 47 5.521 1.563 7.455 1.00 0.00 N ATOM 808 CA VAL P 47 6.450 0.545 7.983 1.00 0.00 C ATOM 809 C VAL P 47 6.897 -0.437 6.892 1.00 0.00 C ATOM 810 O VAL P 47 8.077 -0.797 6.858 1.00 0.00 O ATOM 811 CB VAL P 47 5.834 -0.176 9.204 1.00 0.00 C ATOM 812 CG1 VAL P 47 6.639 -1.398 9.663 1.00 0.00 C ATOM 813 CG2 VAL P 47 5.760 0.783 10.401 1.00 0.00 C ATOM 0 H VAL P 47 4.586 1.501 7.857 1.00 0.00 H new ATOM 0 HA VAL P 47 7.351 1.055 8.324 1.00 0.00 H new ATOM 0 HB VAL P 47 4.848 -0.507 8.878 1.00 0.00 H new ATOM 0 HG11 VAL P 47 6.149 -1.854 10.523 1.00 0.00 H new ATOM 0 HG12 VAL P 47 6.695 -2.123 8.851 1.00 0.00 H new ATOM 0 HG13 VAL P 47 7.646 -1.087 9.942 1.00 0.00 H new ATOM 0 HG21 VAL P 47 5.325 0.265 11.256 1.00 0.00 H new ATOM 0 HG22 VAL P 47 6.763 1.125 10.656 1.00 0.00 H new ATOM 0 HG23 VAL P 47 5.140 1.641 10.142 1.00 0.00 H new ATOM 823 N TRP P 48 6.029 -0.823 5.948 1.00 0.00 N ATOM 824 CA TRP P 48 6.440 -1.627 4.789 1.00 0.00 C ATOM 825 C TRP P 48 7.446 -0.878 3.901 1.00 0.00 C ATOM 826 O TRP P 48 8.489 -1.438 3.567 1.00 0.00 O ATOM 827 CB TRP P 48 5.230 -2.109 3.976 1.00 0.00 C ATOM 828 CG TRP P 48 5.589 -3.076 2.886 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.551 -4.424 2.994 1.00 0.00 C ATOM 830 CD2 TRP P 48 6.090 -2.799 1.536 1.00 0.00 C ATOM 831 NE1 TRP P 48 5.999 -4.999 1.821 1.00 0.00 N ATOM 832 CE2 TRP P 48 6.369 -4.046 0.895 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.347 -1.627 0.789 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.898 -4.127 -0.402 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.879 -1.697 -0.513 1.00 0.00 C ATOM 836 CH2 TRP P 48 7.162 -2.940 -1.107 1.00 0.00 C ATOM 0 H TRP P 48 5.036 -0.591 5.964 1.00 0.00 H new ATOM 0 HA TRP P 48 6.946 -2.510 5.179 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.515 -2.582 4.649 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.731 -1.246 3.535 1.00 0.00 H new ATOM 0 HD1 TRP P 48 5.220 -4.968 3.866 1.00 0.00 H new ATOM 0 HE1 TRP P 48 6.050 -6.005 1.659 1.00 0.00 H new ATOM 0 HE3 TRP P 48 6.132 -0.662 1.224 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 7.099 -5.088 -0.852 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 7.072 -0.787 -1.061 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.581 -2.982 -2.102 1.00 0.00 H new ATOM 847 N PHE P 49 7.213 0.403 3.588 1.00 0.00 N ATOM 848 CA PHE P 49 8.166 1.214 2.814 1.00 0.00 C ATOM 849 C PHE P 49 9.496 1.449 3.556 1.00 0.00 C ATOM 850 O PHE P 49 10.556 1.440 2.926 1.00 0.00 O ATOM 851 CB PHE P 49 7.518 2.533 2.365 1.00 0.00 C ATOM 852 CG PHE P 49 6.574 2.381 1.185 1.00 0.00 C ATOM 853 CD1 PHE P 49 7.088 2.076 -0.092 1.00 0.00 C ATOM 854 CD2 PHE P 49 5.186 2.540 1.351 1.00 0.00 C ATOM 855 CE1 PHE P 49 6.218 1.906 -1.184 1.00 0.00 C ATOM 856 CE2 PHE P 49 4.319 2.374 0.257 1.00 0.00 C ATOM 857 CZ PHE P 49 4.830 2.043 -1.007 1.00 0.00 C ATOM 0 H PHE P 49 6.367 0.904 3.860 1.00 0.00 H new ATOM 0 HA PHE P 49 8.423 0.641 1.923 1.00 0.00 H new ATOM 0 HB2 PHE P 49 6.970 2.962 3.204 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.303 3.242 2.101 1.00 0.00 H new ATOM 0 HD1 PHE P 49 8.154 1.973 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE P 49 4.785 2.790 2.322 1.00 0.00 H new ATOM 0 HE1 PHE P 49 6.617 1.670 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE P 49 3.255 2.502 0.390 1.00 0.00 H new ATOM 0 HZ PHE P 49 4.160 1.894 -1.841 1.00 0.00 H new ATOM 867 N LYS P 50 9.477 1.564 4.892 1.00 0.00 N ATOM 868 CA LYS P 50 10.693 1.597 5.728 1.00 0.00 C ATOM 869 C LYS P 50 11.489 0.288 5.634 1.00 0.00 C ATOM 870 O LYS P 50 12.705 0.318 5.450 1.00 0.00 O ATOM 871 CB LYS P 50 10.294 1.943 7.175 1.00 0.00 C ATOM 872 CG LYS P 50 11.512 2.176 8.084 1.00 0.00 C ATOM 873 CD LYS P 50 11.063 2.562 9.503 1.00 0.00 C ATOM 874 CE LYS P 50 12.243 2.719 10.475 1.00 0.00 C ATOM 875 NZ LYS P 50 13.082 3.909 10.170 1.00 0.00 N ATOM 0 H LYS P 50 8.613 1.637 5.429 1.00 0.00 H new ATOM 0 HA LYS P 50 11.365 2.371 5.357 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.671 2.837 7.172 1.00 0.00 H new ATOM 0 HB3 LYS P 50 9.689 1.134 7.585 1.00 0.00 H new ATOM 0 HG2 LYS P 50 12.122 1.273 8.123 1.00 0.00 H new ATOM 0 HG3 LYS P 50 12.138 2.965 7.667 1.00 0.00 H new ATOM 0 HD2 LYS P 50 10.505 3.497 9.461 1.00 0.00 H new ATOM 0 HD3 LYS P 50 10.382 1.801 9.884 1.00 0.00 H new ATOM 0 HE2 LYS P 50 11.862 2.799 11.493 1.00 0.00 H new ATOM 0 HE3 LYS P 50 12.862 1.823 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 13.863 3.968 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 13.470 3.823 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 12.501 4.769 10.233 1.00 0.00 H new ATOM 889 N ASN P 51 10.810 -0.862 5.668 1.00 0.00 N ATOM 890 CA ASN P 51 11.433 -2.177 5.461 1.00 0.00 C ATOM 891 C ASN P 51 11.939 -2.362 4.016 1.00 0.00 C ATOM 892 O ASN P 51 13.010 -2.931 3.814 1.00 0.00 O ATOM 893 CB ASN P 51 10.455 -3.292 5.876 1.00 0.00 C ATOM 894 CG ASN P 51 10.454 -3.527 7.379 1.00 0.00 C ATOM 895 OD1 ASN P 51 11.165 -4.377 7.896 1.00 0.00 O ATOM 896 ND2 ASN P 51 9.680 -2.781 8.132 1.00 0.00 N ATOM 0 H ASN P 51 9.806 -0.910 5.841 1.00 0.00 H new ATOM 0 HA ASN P 51 12.316 -2.238 6.097 1.00 0.00 H new ATOM 0 HB2 ASN P 51 9.448 -3.029 5.551 1.00 0.00 H new ATOM 0 HB3 ASN P 51 10.724 -4.217 5.366 1.00 0.00 H new ATOM 0 HD21 ASN P 51 9.673 -2.912 9.144 1.00 0.00 H new ATOM 0 HD22 ASN P 51 9.085 -2.071 7.706 1.00 0.00 H new ATOM 903 N ARG P 52 11.237 -1.823 3.012 1.00 0.00 N ATOM 904 CA ARG P 52 11.666 -1.816 1.602 1.00 0.00 C ATOM 905 C ARG P 52 12.942 -0.986 1.397 1.00 0.00 C ATOM 906 O ARG P 52 13.842 -1.446 0.693 1.00 0.00 O ATOM 907 CB ARG P 52 10.473 -1.358 0.738 1.00 0.00 C ATOM 908 CG ARG P 52 10.667 -1.338 -0.788 1.00 0.00 C ATOM 909 CD ARG P 52 11.052 -2.682 -1.424 1.00 0.00 C ATOM 910 NE ARG P 52 12.504 -2.909 -1.339 1.00 0.00 N ATOM 911 CZ ARG P 52 13.236 -3.778 -2.005 1.00 0.00 C ATOM 912 NH1 ARG P 52 12.763 -4.655 -2.836 1.00 0.00 N ATOM 913 NH2 ARG P 52 14.520 -3.788 -1.848 1.00 0.00 N ATOM 0 H ARG P 52 10.335 -1.369 3.157 1.00 0.00 H new ATOM 0 HA ARG P 52 11.948 -2.820 1.285 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.627 -2.008 0.961 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.195 -0.353 1.055 1.00 0.00 H new ATOM 0 HG2 ARG P 52 9.743 -0.989 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG P 52 11.439 -0.608 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG P 52 10.524 -3.491 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG P 52 10.738 -2.698 -2.468 1.00 0.00 H new ATOM 0 HE ARG P 52 13.008 -2.317 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG P 52 11.759 -4.703 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG P 52 13.395 -5.296 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG P 52 14.961 -3.125 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG P 52 15.091 -4.459 -2.361 1.00 0.00 H new ATOM 927 N ARG P 53 13.084 0.165 2.070 1.00 0.00 N ATOM 928 CA ARG P 53 14.341 0.948 2.122 1.00 0.00 C ATOM 929 C ARG P 53 15.469 0.229 2.873 1.00 0.00 C ATOM 930 O ARG P 53 16.616 0.299 2.437 1.00 0.00 O ATOM 931 CB ARG P 53 14.080 2.340 2.733 1.00 0.00 C ATOM 932 CG ARG P 53 13.740 3.422 1.694 1.00 0.00 C ATOM 933 CD ARG P 53 14.950 3.793 0.817 1.00 0.00 C ATOM 934 NE ARG P 53 14.701 5.020 0.035 1.00 0.00 N ATOM 935 CZ ARG P 53 15.500 5.555 -0.872 1.00 0.00 C ATOM 936 NH1 ARG P 53 16.640 5.021 -1.200 1.00 0.00 N ATOM 937 NH2 ARG P 53 15.165 6.658 -1.478 1.00 0.00 N ATOM 0 H ARG P 53 12.324 0.589 2.602 1.00 0.00 H new ATOM 0 HA ARG P 53 14.682 1.062 1.093 1.00 0.00 H new ATOM 0 HB2 ARG P 53 13.260 2.265 3.447 1.00 0.00 H new ATOM 0 HB3 ARG P 53 14.962 2.652 3.293 1.00 0.00 H new ATOM 0 HG2 ARG P 53 12.928 3.069 1.058 1.00 0.00 H new ATOM 0 HG3 ARG P 53 13.379 4.314 2.207 1.00 0.00 H new ATOM 0 HD2 ARG P 53 15.827 3.935 1.448 1.00 0.00 H new ATOM 0 HD3 ARG P 53 15.175 2.969 0.140 1.00 0.00 H new ATOM 0 HE ARG P 53 13.822 5.505 0.213 1.00 0.00 H new ATOM 0 HH11 ARG P 53 16.946 4.157 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG P 53 17.227 5.466 -1.905 1.00 0.00 H new ATOM 0 HH21 ARG P 53 14.281 7.115 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG P 53 15.787 7.065 -2.177 1.00 0.00 H new ATOM 951 N ALA P 54 15.163 -0.512 3.939 1.00 0.00 N ATOM 952 CA ALA P 54 16.155 -1.343 4.629 1.00 0.00 C ATOM 953 C ALA P 54 16.672 -2.478 3.722 1.00 0.00 C ATOM 954 O ALA P 54 17.881 -2.616 3.537 1.00 0.00 O ATOM 955 CB ALA P 54 15.559 -1.861 5.945 1.00 0.00 C ATOM 0 H ALA P 54 14.229 -0.554 4.347 1.00 0.00 H new ATOM 0 HA ALA P 54 17.028 -0.736 4.870 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.295 -2.479 6.459 1.00 0.00 H new ATOM 0 HB2 ALA P 54 15.288 -1.017 6.579 1.00 0.00 H new ATOM 0 HB3 ALA P 54 14.671 -2.456 5.733 1.00 0.00 H new ATOM 961 N LYS P 55 15.775 -3.231 3.068 1.00 0.00 N ATOM 962 CA LYS P 55 16.123 -4.301 2.110 1.00 0.00 C ATOM 963 C LYS P 55 16.885 -3.778 0.890 1.00 0.00 C ATOM 964 O LYS P 55 17.821 -4.432 0.435 1.00 0.00 O ATOM 965 CB LYS P 55 14.845 -5.042 1.677 1.00 0.00 C ATOM 966 CG LYS P 55 14.277 -5.916 2.806 1.00 0.00 C ATOM 967 CD LYS P 55 12.943 -6.552 2.393 1.00 0.00 C ATOM 968 CE LYS P 55 12.387 -7.404 3.542 1.00 0.00 C ATOM 969 NZ LYS P 55 11.101 -8.053 3.171 1.00 0.00 N ATOM 0 H LYS P 55 14.769 -3.115 3.189 1.00 0.00 H new ATOM 0 HA LYS P 55 16.795 -4.992 2.619 1.00 0.00 H new ATOM 0 HB2 LYS P 55 14.093 -4.317 1.366 1.00 0.00 H new ATOM 0 HB3 LYS P 55 15.063 -5.666 0.810 1.00 0.00 H new ATOM 0 HG2 LYS P 55 14.993 -6.698 3.061 1.00 0.00 H new ATOM 0 HG3 LYS P 55 14.134 -5.311 3.701 1.00 0.00 H new ATOM 0 HD2 LYS P 55 12.227 -5.774 2.127 1.00 0.00 H new ATOM 0 HD3 LYS P 55 13.085 -7.171 1.507 1.00 0.00 H new ATOM 0 HE2 LYS P 55 13.115 -8.168 3.814 1.00 0.00 H new ATOM 0 HE3 LYS P 55 12.238 -6.777 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 10.755 -8.620 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 10.399 -7.323 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 11.249 -8.670 2.347 1.00 0.00 H new ATOM 983 N TRP P 56 16.548 -2.583 0.398 1.00 0.00 N ATOM 984 CA TRP P 56 17.260 -1.909 -0.701 1.00 0.00 C ATOM 985 C TRP P 56 18.762 -1.730 -0.416 1.00 0.00 C ATOM 986 O TRP P 56 19.572 -1.912 -1.323 1.00 0.00 O ATOM 987 CB TRP P 56 16.574 -0.562 -0.976 1.00 0.00 C ATOM 988 CG TRP P 56 17.331 0.404 -1.833 1.00 0.00 C ATOM 989 CD1 TRP P 56 17.460 0.330 -3.176 1.00 0.00 C ATOM 990 CD2 TRP P 56 18.091 1.584 -1.423 1.00 0.00 C ATOM 991 NE1 TRP P 56 18.227 1.388 -3.629 1.00 0.00 N ATOM 992 CE2 TRP P 56 18.646 2.191 -2.590 1.00 0.00 C ATOM 993 CE3 TRP P 56 18.375 2.198 -0.182 1.00 0.00 C ATOM 994 CZ2 TRP P 56 19.438 3.349 -2.530 1.00 0.00 C ATOM 995 CZ3 TRP P 56 19.184 3.350 -0.109 1.00 0.00 C ATOM 996 CH2 TRP P 56 19.715 3.925 -1.278 1.00 0.00 C ATOM 0 H TRP P 56 15.759 -2.044 0.756 1.00 0.00 H new ATOM 0 HA TRP P 56 17.206 -2.540 -1.588 1.00 0.00 H new ATOM 0 HB2 TRP P 56 15.612 -0.758 -1.449 1.00 0.00 H new ATOM 0 HB3 TRP P 56 16.367 -0.082 -0.020 1.00 0.00 H new ATOM 0 HD1 TRP P 56 17.030 -0.439 -3.801 1.00 0.00 H new ATOM 0 HE1 TRP P 56 18.454 1.553 -4.610 1.00 0.00 H new ATOM 0 HE3 TRP P 56 17.966 1.778 0.725 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 19.829 3.791 -3.434 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 19.398 3.795 0.852 1.00 0.00 H new ATOM 0 HH2 TRP P 56 20.334 4.807 -1.214 1.00 0.00 H new ATOM 1007 N ARG P 57 19.138 -1.442 0.841 1.00 0.00 N ATOM 1008 CA ARG P 57 20.541 -1.281 1.270 1.00 0.00 C ATOM 1009 C ARG P 57 21.192 -2.565 1.811 1.00 0.00 C ATOM 1010 O ARG P 57 22.385 -2.777 1.592 1.00 0.00 O ATOM 1011 CB ARG P 57 20.621 -0.111 2.268 1.00 0.00 C ATOM 1012 CG ARG P 57 22.066 0.361 2.485 1.00 0.00 C ATOM 1013 CD ARG P 57 22.124 1.620 3.355 1.00 0.00 C ATOM 1014 NE ARG P 57 23.513 2.104 3.487 1.00 0.00 N ATOM 1015 CZ ARG P 57 23.924 3.157 4.172 1.00 0.00 C ATOM 1016 NH1 ARG P 57 23.100 3.909 4.847 1.00 0.00 N ATOM 1017 NH2 ARG P 57 25.186 3.476 4.194 1.00 0.00 N ATOM 0 H ARG P 57 18.468 -1.312 1.599 1.00 0.00 H new ATOM 0 HA ARG P 57 21.134 -1.051 0.385 1.00 0.00 H new ATOM 0 HB2 ARG P 57 20.019 0.720 1.901 1.00 0.00 H new ATOM 0 HB3 ARG P 57 20.193 -0.418 3.222 1.00 0.00 H new ATOM 0 HG2 ARG P 57 22.642 -0.435 2.957 1.00 0.00 H new ATOM 0 HG3 ARG P 57 22.532 0.563 1.521 1.00 0.00 H new ATOM 0 HD2 ARG P 57 21.503 2.400 2.915 1.00 0.00 H new ATOM 0 HD3 ARG P 57 21.714 1.405 4.342 1.00 0.00 H new ATOM 0 HE ARG P 57 24.231 1.569 2.998 1.00 0.00 H new ATOM 0 HH11 ARG P 57 22.103 3.692 4.857 1.00 0.00 H new ATOM 0 HH12 ARG P 57 23.452 4.714 5.365 1.00 0.00 H new ATOM 0 HH21 ARG P 57 25.864 2.912 3.681 1.00 0.00 H new ATOM 0 HH22 ARG P 57 25.497 4.290 4.724 1.00 0.00 H new ATOM 1031 N LYS P 58 20.438 -3.415 2.521 1.00 0.00 N ATOM 1032 CA LYS P 58 20.962 -4.574 3.280 1.00 0.00 C ATOM 1033 C LYS P 58 20.835 -5.932 2.572 1.00 0.00 C ATOM 1034 O LYS P 58 21.579 -6.855 2.916 1.00 0.00 O ATOM 1035 CB LYS P 58 20.290 -4.625 4.668 1.00 0.00 C ATOM 1036 CG LYS P 58 20.525 -3.387 5.554 1.00 0.00 C ATOM 1037 CD LYS P 58 22.000 -3.179 5.927 1.00 0.00 C ATOM 1038 CE LYS P 58 22.133 -2.025 6.928 1.00 0.00 C ATOM 1039 NZ LYS P 58 23.543 -1.833 7.359 1.00 0.00 N ATOM 0 H LYS P 58 19.425 -3.320 2.589 1.00 0.00 H new ATOM 0 HA LYS P 58 22.036 -4.409 3.371 1.00 0.00 H new ATOM 0 HB2 LYS P 58 19.217 -4.755 4.530 1.00 0.00 H new ATOM 0 HB3 LYS P 58 20.653 -5.506 5.198 1.00 0.00 H new ATOM 0 HG2 LYS P 58 20.161 -2.501 5.033 1.00 0.00 H new ATOM 0 HG3 LYS P 58 19.937 -3.485 6.466 1.00 0.00 H new ATOM 0 HD2 LYS P 58 22.406 -4.094 6.359 1.00 0.00 H new ATOM 0 HD3 LYS P 58 22.583 -2.963 5.031 1.00 0.00 H new ATOM 0 HE2 LYS P 58 21.762 -1.105 6.475 1.00 0.00 H new ATOM 0 HE3 LYS P 58 21.510 -2.225 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 23.595 -1.045 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 23.889 -2.702 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 24.133 -1.617 6.530 1.00 0.00 H new ATOM 1053 N ARG P 59 19.921 -6.071 1.603 1.00 0.00 N ATOM 1054 CA ARG P 59 19.635 -7.321 0.863 1.00 0.00 C ATOM 1055 C ARG P 59 19.891 -7.200 -0.644 1.00 0.00 C ATOM 1056 O ARG P 59 20.355 -8.156 -1.265 1.00 0.00 O ATOM 1057 CB ARG P 59 18.195 -7.759 1.189 1.00 0.00 C ATOM 1058 CG ARG P 59 17.823 -9.126 0.588 1.00 0.00 C ATOM 1059 CD ARG P 59 16.436 -9.599 1.049 1.00 0.00 C ATOM 1060 NE ARG P 59 16.413 -9.957 2.485 1.00 0.00 N ATOM 1061 CZ ARG P 59 16.738 -11.120 3.025 1.00 0.00 C ATOM 1062 NH1 ARG P 59 17.138 -12.135 2.312 1.00 0.00 N ATOM 1063 NH2 ARG P 59 16.669 -11.287 4.315 1.00 0.00 N ATOM 0 H ARG P 59 19.337 -5.293 1.297 1.00 0.00 H new ATOM 0 HA ARG P 59 20.330 -8.094 1.191 1.00 0.00 H new ATOM 0 HB2 ARG P 59 18.071 -7.800 2.271 1.00 0.00 H new ATOM 0 HB3 ARG P 59 17.501 -7.006 0.817 1.00 0.00 H new ATOM 0 HG2 ARG P 59 17.841 -9.061 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG P 59 18.572 -9.864 0.875 1.00 0.00 H new ATOM 0 HD2 ARG P 59 15.705 -8.812 0.861 1.00 0.00 H new ATOM 0 HD3 ARG P 59 16.134 -10.463 0.457 1.00 0.00 H new ATOM 0 HE ARG P 59 16.113 -9.226 3.130 1.00 0.00 H new ATOM 0 HH11 ARG P 59 17.210 -12.049 1.298 1.00 0.00 H new ATOM 0 HH12 ARG P 59 17.379 -13.015 2.768 1.00 0.00 H new ATOM 0 HH21 ARG P 59 16.363 -10.519 4.913 1.00 0.00 H new ATOM 0 HH22 ARG P 59 16.921 -12.185 4.727 1.00 0.00 H new ATOM 1077 N GLU P 60 19.630 -6.029 -1.221 1.00 0.00 N ATOM 1078 CA GLU P 60 19.878 -5.692 -2.632 1.00 0.00 C ATOM 1079 C GLU P 60 20.976 -4.611 -2.789 1.00 0.00 C ATOM 1080 O GLU P 60 21.608 -4.197 -1.813 1.00 0.00 O ATOM 1081 CB GLU P 60 18.542 -5.309 -3.303 1.00 0.00 C ATOM 1082 CG GLU P 60 17.567 -6.497 -3.343 1.00 0.00 C ATOM 1083 CD GLU P 60 16.319 -6.177 -4.185 1.00 0.00 C ATOM 1084 OE1 GLU P 60 16.347 -6.371 -5.424 1.00 0.00 O ATOM 1085 OE2 GLU P 60 15.298 -5.735 -3.604 1.00 0.00 O ATOM 0 H GLU P 60 19.222 -5.252 -0.701 1.00 0.00 H new ATOM 0 HA GLU P 60 20.275 -6.567 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU P 60 18.086 -4.481 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU P 60 18.731 -4.959 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU P 60 18.072 -7.369 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU P 60 17.265 -6.755 -2.328 1.00 0.00 H new ATOM 1092 N GLU P 61 21.256 -4.191 -4.027 1.00 0.00 N ATOM 1093 CA GLU P 61 22.284 -3.192 -4.359 1.00 0.00 C ATOM 1094 C GLU P 61 21.727 -1.751 -4.349 1.00 0.00 C ATOM 1095 O GLU P 61 20.635 -1.492 -4.861 1.00 0.00 O ATOM 1096 CB GLU P 61 22.920 -3.566 -5.710 1.00 0.00 C ATOM 1097 CG GLU P 61 24.119 -2.684 -6.078 1.00 0.00 C ATOM 1098 CD GLU P 61 24.807 -3.203 -7.357 1.00 0.00 C ATOM 1099 OE1 GLU P 61 24.305 -2.934 -8.475 1.00 0.00 O ATOM 1100 OE2 GLU P 61 25.855 -3.886 -7.252 1.00 0.00 O ATOM 0 H GLU P 61 20.764 -4.543 -4.848 1.00 0.00 H new ATOM 0 HA GLU P 61 23.055 -3.205 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU P 61 23.240 -4.608 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU P 61 22.166 -3.488 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU P 61 23.788 -1.657 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU P 61 24.833 -2.671 -5.255 1.00 0.00 H new ATOM 1107 N PHE P 62 22.502 -0.809 -3.793 1.00 0.00 N ATOM 1108 CA PHE P 62 22.086 0.578 -3.512 1.00 0.00 C ATOM 1109 C PHE P 62 22.975 1.666 -4.158 1.00 0.00 C ATOM 1110 O PHE P 62 22.798 2.855 -3.882 1.00 0.00 O ATOM 1111 CB PHE P 62 21.981 0.757 -1.988 1.00 0.00 C ATOM 1112 CG PHE P 62 23.278 0.550 -1.221 1.00 0.00 C ATOM 1113 CD1 PHE P 62 23.650 -0.739 -0.791 1.00 0.00 C ATOM 1114 CD2 PHE P 62 24.104 1.650 -0.920 1.00 0.00 C ATOM 1115 CE1 PHE P 62 24.840 -0.925 -0.065 1.00 0.00 C ATOM 1116 CE2 PHE P 62 25.296 1.462 -0.197 1.00 0.00 C ATOM 1117 CZ PHE P 62 25.664 0.174 0.231 1.00 0.00 C ATOM 0 H PHE P 62 23.466 -0.994 -3.517 1.00 0.00 H new ATOM 0 HA PHE P 62 21.114 0.726 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE P 62 21.611 1.761 -1.781 1.00 0.00 H new ATOM 0 HB3 PHE P 62 21.236 0.058 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE P 62 23.020 -1.586 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE P 62 23.822 2.640 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE P 62 25.121 -1.914 0.266 1.00 0.00 H new ATOM 0 HE2 PHE P 62 25.929 2.307 0.029 1.00 0.00 H new ATOM 0 HZ PHE P 62 26.579 0.030 0.787 1.00 0.00 H new ATOM 1127 N ILE P 63 23.938 1.285 -5.008 1.00 0.00 N ATOM 1128 CA ILE P 63 24.887 2.220 -5.640 1.00 0.00 C ATOM 1129 C ILE P 63 24.194 3.188 -6.623 1.00 0.00 C ATOM 1130 O ILE P 63 23.231 2.825 -7.306 1.00 0.00 O ATOM 1131 CB ILE P 63 26.075 1.452 -6.271 1.00 0.00 C ATOM 1132 CG1 ILE P 63 27.265 2.402 -6.540 1.00 0.00 C ATOM 1133 CG2 ILE P 63 25.667 0.689 -7.544 1.00 0.00 C ATOM 1134 CD1 ILE P 63 28.561 1.676 -6.919 1.00 0.00 C ATOM 0 H ILE P 63 24.084 0.313 -5.280 1.00 0.00 H new ATOM 0 HA ILE P 63 25.300 2.858 -4.859 1.00 0.00 H new ATOM 0 HB ILE P 63 26.395 0.703 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE P 63 26.996 3.089 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE P 63 27.444 3.006 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE P 63 26.534 0.167 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE P 63 24.889 -0.034 -7.301 1.00 0.00 H new ATOM 0 HG23 ILE P 63 25.289 1.393 -8.285 1.00 0.00 H new ATOM 0 HD11 ILE P 63 29.350 2.407 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE P 63 28.855 1.010 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE P 63 28.400 1.094 -7.826 1.00 0.00 H new ATOM 1146 N VAL P 64 24.688 4.428 -6.691 1.00 0.00 N ATOM 1147 CA VAL P 64 24.180 5.509 -7.556 1.00 0.00 C ATOM 1148 C VAL P 64 25.327 6.429 -8.006 1.00 0.00 C ATOM 1149 O VAL P 64 26.344 6.542 -7.314 1.00 0.00 O ATOM 1150 CB VAL P 64 23.043 6.271 -6.833 1.00 0.00 C ATOM 1151 CG1 VAL P 64 23.519 7.087 -5.624 1.00 0.00 C ATOM 1152 CG2 VAL P 64 22.252 7.187 -7.774 1.00 0.00 C ATOM 0 H VAL P 64 25.484 4.723 -6.125 1.00 0.00 H new ATOM 0 HA VAL P 64 23.755 5.082 -8.465 1.00 0.00 H new ATOM 0 HB VAL P 64 22.387 5.480 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL P 64 22.668 7.593 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL P 64 23.978 6.421 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL P 64 24.250 7.828 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL P 64 21.468 7.696 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL P 64 22.923 7.926 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL P 64 21.802 6.591 -8.568 1.00 0.00 H new ATOM 1162 N THR P 65 25.176 7.080 -9.165 1.00 0.00 N ATOM 1163 CA THR P 65 26.179 7.984 -9.774 1.00 0.00 C ATOM 1164 C THR P 65 27.544 7.295 -9.981 1.00 0.00 C ATOM 1165 O THR P 65 28.597 7.793 -9.572 1.00 0.00 O ATOM 1166 CB THR P 65 26.270 9.335 -9.027 1.00 0.00 C ATOM 1167 OG1 THR P 65 24.978 9.799 -8.670 1.00 0.00 O ATOM 1168 CG2 THR P 65 26.878 10.448 -9.887 1.00 0.00 C ATOM 0 H THR P 65 24.330 6.995 -9.728 1.00 0.00 H new ATOM 0 HA THR P 65 25.827 8.226 -10.777 1.00 0.00 H new ATOM 0 HB THR P 65 26.898 9.138 -8.158 1.00 0.00 H new ATOM 0 HG1 THR P 65 25.057 10.654 -8.197 1.00 0.00 H new ATOM 0 HG21 THR P 65 26.917 11.373 -9.311 1.00 0.00 H new ATOM 0 HG22 THR P 65 27.887 10.165 -10.188 1.00 0.00 H new ATOM 0 HG23 THR P 65 26.263 10.599 -10.774 1.00 0.00 H new ATOM 1176 N ASP P 66 27.516 6.110 -10.606 1.00 0.00 N ATOM 1177 CA ASP P 66 28.680 5.258 -10.925 1.00 0.00 C ATOM 1178 C ASP P 66 28.628 4.691 -12.361 1.00 0.00 C ATOM 1179 O ASP P 66 29.657 4.772 -13.068 1.00 0.00 O ATOM 1180 CB ASP P 66 28.794 4.128 -9.883 1.00 0.00 C ATOM 1181 CG ASP P 66 30.023 3.222 -10.116 1.00 0.00 C ATOM 1182 OD1 ASP P 66 31.158 3.639 -9.774 1.00 0.00 O ATOM 1183 OD2 ASP P 66 29.862 2.083 -10.622 1.00 0.00 O ATOM 1184 OXT ASP P 66 27.554 4.200 -12.783 1.00 0.00 O ATOM 0 H ASP P 66 26.639 5.695 -10.920 1.00 0.00 H new ATOM 0 HA ASP P 66 29.572 5.883 -10.880 1.00 0.00 H new ATOM 0 HB2 ASP P 66 28.853 4.564 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP P 66 27.889 3.520 -9.912 1.00 0.00 H new TER 1189 ASP P 66