USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 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 9 THR OG1 : rot 180:sc= 0.403 USER MOD Set 1.2: P 11 GLN : amide:sc= 0.393 K(o=0.8,f=-3.1!) USER MOD Single : P 0 SER OG : rot 170:sc= 0.571 USER MOD Single : P 1 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : P 4 GLN : amide:sc= 1.1 K(o=1.1,f=-5.3!) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 7 HIS : no HD1:sc= -0.075 K(o=-0.075,f=-1.2) USER MOD Single : P -1 GLY N :NH3+ -127:sc= 0.0361 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 12 GLN : amide:sc= 1.39 K(o=1.4,f=-4!) USER MOD Single : P 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 19 THR OG1 : rot 79:sc= 1.19 USER MOD Single : P 21 GLN : amide:sc= 0.85 K(o=0.85,f=-5.4!) USER MOD Single : P 23 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.00046) USER MOD Single : P 25 TYR OH : rot 180:sc= 0.223 USER MOD Single : P 28 MET CE :methyl 179:sc= 0 (180deg=-0.000332) USER MOD Single : P 29 SER OG : rot 180:sc= 0 USER MOD Single : P 30 THR OG1 : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -74:sc= 1.22 USER MOD Single : P 39 ASN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : P 41 THR OG1 : rot -120:sc= 1.09 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= -0.115 K(o=-0.12,f=-2!) USER MOD Single : P 55 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.16) 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 -15.438 -8.016 22.186 1.00 0.00 N ATOM 2 CA GLY P -1 -14.405 -8.081 21.126 1.00 0.00 C ATOM 3 C GLY P -1 -13.217 -7.183 21.438 1.00 0.00 C ATOM 4 O GLY P -1 -12.954 -6.871 22.602 1.00 0.00 O ATOM 0 H1 GLY P -1 -15.663 -8.978 22.511 1.00 0.00 H new ATOM 0 H2 GLY P -1 -15.080 -7.455 22.985 1.00 0.00 H new ATOM 0 H3 GLY P -1 -16.297 -7.569 21.807 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -14.063 -9.110 21.014 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -14.843 -7.786 20.173 1.00 0.00 H new ATOM 10 N SER P 0 -12.481 -6.763 20.403 1.00 0.00 N ATOM 11 CA SER P 0 -11.309 -5.874 20.503 1.00 0.00 C ATOM 12 C SER P 0 -11.159 -4.988 19.260 1.00 0.00 C ATOM 13 O SER P 0 -11.407 -5.430 18.136 1.00 0.00 O ATOM 14 CB SER P 0 -10.040 -6.712 20.706 1.00 0.00 C ATOM 15 OG SER P 0 -8.878 -5.895 20.692 1.00 0.00 O ATOM 0 H SER P 0 -12.687 -7.038 19.443 1.00 0.00 H new ATOM 0 HA SER P 0 -11.458 -5.217 21.360 1.00 0.00 H new ATOM 0 HB2 SER P 0 -10.101 -7.246 21.654 1.00 0.00 H new ATOM 0 HB3 SER P 0 -9.968 -7.465 19.921 1.00 0.00 H new ATOM 0 HG SER P 0 -8.104 -6.422 20.982 1.00 0.00 H new ATOM 21 N GLN P 1 -10.703 -3.746 19.457 1.00 0.00 N ATOM 22 CA GLN P 1 -10.322 -2.827 18.372 1.00 0.00 C ATOM 23 C GLN P 1 -8.948 -3.171 17.761 1.00 0.00 C ATOM 24 O GLN P 1 -8.674 -2.803 16.616 1.00 0.00 O ATOM 25 CB GLN P 1 -10.331 -1.379 18.895 1.00 0.00 C ATOM 26 CG GLN P 1 -11.738 -0.900 19.301 1.00 0.00 C ATOM 27 CD GLN P 1 -11.780 0.559 19.769 1.00 0.00 C ATOM 28 OE1 GLN P 1 -10.783 1.267 19.858 1.00 0.00 O ATOM 29 NE2 GLN P 1 -12.948 1.073 20.096 1.00 0.00 N ATOM 0 H GLN P 1 -10.586 -3.343 20.387 1.00 0.00 H new ATOM 0 HA GLN P 1 -11.056 -2.936 17.574 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -9.664 -1.304 19.754 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -9.935 -0.717 18.125 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -12.412 -1.020 18.453 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -12.114 -1.540 20.100 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -13.792 0.504 20.030 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -13.008 2.040 20.415 1.00 0.00 H new ATOM 38 N ARG P 2 -8.092 -3.894 18.503 1.00 0.00 N ATOM 39 CA ARG P 2 -6.770 -4.370 18.056 1.00 0.00 C ATOM 40 C ARG P 2 -6.841 -5.766 17.434 1.00 0.00 C ATOM 41 O ARG P 2 -6.204 -6.007 16.411 1.00 0.00 O ATOM 42 CB ARG P 2 -5.797 -4.319 19.250 1.00 0.00 C ATOM 43 CG ARG P 2 -4.341 -4.633 18.855 1.00 0.00 C ATOM 44 CD ARG P 2 -3.397 -4.619 20.064 1.00 0.00 C ATOM 45 NE ARG P 2 -3.690 -5.725 21.001 1.00 0.00 N ATOM 46 CZ ARG P 2 -4.163 -5.653 22.233 1.00 0.00 C ATOM 47 NH1 ARG P 2 -4.421 -4.525 22.832 1.00 0.00 N ATOM 48 NH2 ARG P 2 -4.389 -6.756 22.882 1.00 0.00 N ATOM 0 H ARG P 2 -8.307 -4.172 19.460 1.00 0.00 H new ATOM 0 HA ARG P 2 -6.403 -3.715 17.266 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -5.839 -3.329 19.704 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -6.123 -5.031 20.008 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -4.299 -5.611 18.375 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -4.000 -3.903 18.121 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -2.365 -4.697 19.721 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -3.488 -3.666 20.586 1.00 0.00 H new ATOM 0 HE ARG P 2 -3.503 -6.665 20.651 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -4.259 -3.642 22.348 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -4.785 -4.525 23.785 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -4.201 -7.656 22.440 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -4.754 -6.722 23.834 1.00 0.00 H new ATOM 62 N ARG P 3 -7.599 -6.683 18.055 1.00 0.00 N ATOM 63 CA ARG P 3 -7.813 -8.099 17.660 1.00 0.00 C ATOM 64 C ARG P 3 -6.543 -8.881 17.264 1.00 0.00 C ATOM 65 O ARG P 3 -6.601 -9.777 16.422 1.00 0.00 O ATOM 66 CB ARG P 3 -8.981 -8.213 16.652 1.00 0.00 C ATOM 67 CG ARG P 3 -8.713 -7.574 15.277 1.00 0.00 C ATOM 68 CD ARG P 3 -9.823 -7.922 14.279 1.00 0.00 C ATOM 69 NE ARG P 3 -9.541 -7.360 12.941 1.00 0.00 N ATOM 70 CZ ARG P 3 -8.798 -7.893 11.986 1.00 0.00 C ATOM 71 NH1 ARG P 3 -8.188 -9.038 12.126 1.00 0.00 N ATOM 72 NH2 ARG P 3 -8.647 -7.274 10.850 1.00 0.00 N ATOM 0 H ARG P 3 -8.116 -6.448 18.902 1.00 0.00 H new ATOM 0 HA ARG P 3 -8.112 -8.625 18.567 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -9.216 -9.268 16.507 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -9.865 -7.747 17.087 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -8.642 -6.492 15.384 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -7.753 -7.920 14.893 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -9.923 -9.005 14.207 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -10.776 -7.538 14.643 1.00 0.00 H new ATOM 0 HE ARG P 3 -9.968 -6.458 12.731 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -8.275 -9.559 12.999 1.00 0.00 H new ATOM 0 HH12 ARG P 3 -7.625 -9.412 11.363 1.00 0.00 H new ATOM 0 HH21 ARG P 3 -9.103 -6.375 10.695 1.00 0.00 H new ATOM 0 HH22 ARG P 3 -8.073 -7.688 10.116 1.00 0.00 H new ATOM 86 N GLN P 4 -5.390 -8.514 17.833 1.00 0.00 N ATOM 87 CA GLN P 4 -4.018 -8.986 17.539 1.00 0.00 C ATOM 88 C GLN P 4 -3.499 -8.822 16.085 1.00 0.00 C ATOM 89 O GLN P 4 -2.283 -8.852 15.880 1.00 0.00 O ATOM 90 CB GLN P 4 -3.821 -10.427 18.057 1.00 0.00 C ATOM 91 CG GLN P 4 -4.149 -10.617 19.550 1.00 0.00 C ATOM 92 CD GLN P 4 -3.301 -9.734 20.462 1.00 0.00 C ATOM 93 OE1 GLN P 4 -3.693 -8.641 20.854 1.00 0.00 O ATOM 94 NE2 GLN P 4 -2.103 -10.144 20.816 1.00 0.00 N ATOM 0 H GLN P 4 -5.384 -7.818 18.578 1.00 0.00 H new ATOM 0 HA GLN P 4 -3.383 -8.291 18.089 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -4.448 -11.099 17.471 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -2.787 -10.724 17.884 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -5.203 -10.395 19.716 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -3.996 -11.662 19.820 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -1.760 -11.051 20.499 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -1.517 -9.555 21.407 1.00 0.00 H new ATOM 103 N ARG P 5 -4.382 -8.585 15.101 1.00 0.00 N ATOM 104 CA ARG P 5 -4.119 -8.442 13.649 1.00 0.00 C ATOM 105 C ARG P 5 -3.444 -9.662 12.989 1.00 0.00 C ATOM 106 O ARG P 5 -3.130 -10.662 13.637 1.00 0.00 O ATOM 107 CB ARG P 5 -3.399 -7.106 13.346 1.00 0.00 C ATOM 108 CG ARG P 5 -4.120 -5.891 13.957 1.00 0.00 C ATOM 109 CD ARG P 5 -3.651 -4.558 13.363 1.00 0.00 C ATOM 110 NE ARG P 5 -4.143 -4.371 11.982 1.00 0.00 N ATOM 111 CZ ARG P 5 -4.112 -3.253 11.280 1.00 0.00 C ATOM 112 NH1 ARG P 5 -3.579 -2.155 11.726 1.00 0.00 N ATOM 113 NH2 ARG P 5 -4.621 -3.198 10.086 1.00 0.00 N ATOM 0 H ARG P 5 -5.375 -8.479 15.310 1.00 0.00 H new ATOM 0 HA ARG P 5 -5.097 -8.410 13.169 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -2.381 -7.151 13.732 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -3.325 -6.974 12.266 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -5.194 -5.995 13.800 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -3.955 -5.881 15.034 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -4.002 -3.737 13.989 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -2.562 -4.520 13.369 1.00 0.00 H new ATOM 0 HE ARG P 5 -4.547 -5.188 11.525 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -3.160 -2.132 12.656 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -3.579 -1.316 11.146 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -5.053 -4.027 9.677 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -4.589 -2.326 9.557 1.00 0.00 H new ATOM 127 N THR P 6 -3.284 -9.592 11.666 1.00 0.00 N ATOM 128 CA THR P 6 -2.823 -10.683 10.783 1.00 0.00 C ATOM 129 C THR P 6 -1.732 -10.225 9.804 1.00 0.00 C ATOM 130 O THR P 6 -1.542 -9.026 9.564 1.00 0.00 O ATOM 131 CB THR P 6 -4.007 -11.287 10.000 1.00 0.00 C ATOM 132 OG1 THR P 6 -4.778 -10.269 9.392 1.00 0.00 O ATOM 133 CG2 THR P 6 -4.943 -12.089 10.906 1.00 0.00 C ATOM 0 H THR P 6 -3.480 -8.735 11.149 1.00 0.00 H new ATOM 0 HA THR P 6 -2.387 -11.445 11.429 1.00 0.00 H new ATOM 0 HB THR P 6 -3.570 -11.945 9.249 1.00 0.00 H new ATOM 0 HG1 THR P 6 -5.523 -10.673 8.899 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.762 -12.496 10.313 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.389 -12.906 11.369 1.00 0.00 H new ATOM 0 HG23 THR P 6 -5.345 -11.437 11.682 1.00 0.00 H new ATOM 141 N HIS P 7 -0.995 -11.184 9.231 1.00 0.00 N ATOM 142 CA HIS P 7 0.045 -10.952 8.214 1.00 0.00 C ATOM 143 C HIS P 7 -0.539 -10.463 6.872 1.00 0.00 C ATOM 144 O HIS P 7 -1.725 -10.648 6.589 1.00 0.00 O ATOM 145 CB HIS P 7 0.869 -12.240 8.040 1.00 0.00 C ATOM 146 CG HIS P 7 2.076 -12.088 7.143 1.00 0.00 C ATOM 147 ND1 HIS P 7 2.963 -11.005 7.151 1.00 0.00 N ATOM 148 CD2 HIS P 7 2.467 -12.969 6.178 1.00 0.00 C ATOM 149 CE1 HIS P 7 3.872 -11.267 6.193 1.00 0.00 C ATOM 150 NE2 HIS P 7 3.595 -12.436 5.592 1.00 0.00 N ATOM 0 H HIS P 7 -1.106 -12.170 9.466 1.00 0.00 H new ATOM 0 HA HIS P 7 0.696 -10.149 8.560 1.00 0.00 H new ATOM 0 HB2 HIS P 7 1.200 -12.581 9.021 1.00 0.00 H new ATOM 0 HB3 HIS P 7 0.224 -13.018 7.633 1.00 0.00 H new ATOM 0 HD2 HIS P 7 1.987 -13.902 5.923 1.00 0.00 H new ATOM 0 HE1 HIS P 7 4.706 -10.628 5.943 1.00 0.00 H new ATOM 0 HE2 HIS P 7 4.128 -12.857 4.832 1.00 0.00 H new ATOM 158 N PHE P 8 0.298 -9.838 6.038 1.00 0.00 N ATOM 159 CA PHE P 8 -0.063 -9.404 4.683 1.00 0.00 C ATOM 160 C PHE P 8 -0.390 -10.609 3.778 1.00 0.00 C ATOM 161 O PHE P 8 0.233 -11.670 3.895 1.00 0.00 O ATOM 162 CB PHE P 8 1.094 -8.608 4.057 1.00 0.00 C ATOM 163 CG PHE P 8 1.578 -7.383 4.817 1.00 0.00 C ATOM 164 CD1 PHE P 8 2.612 -7.500 5.766 1.00 0.00 C ATOM 165 CD2 PHE P 8 1.054 -6.110 4.519 1.00 0.00 C ATOM 166 CE1 PHE P 8 3.118 -6.357 6.411 1.00 0.00 C ATOM 167 CE2 PHE P 8 1.574 -4.965 5.150 1.00 0.00 C ATOM 168 CZ PHE P 8 2.610 -5.087 6.094 1.00 0.00 C ATOM 0 H PHE P 8 1.261 -9.615 6.289 1.00 0.00 H new ATOM 0 HA PHE P 8 -0.949 -8.774 4.763 1.00 0.00 H new ATOM 0 HB2 PHE P 8 1.940 -9.283 3.929 1.00 0.00 H new ATOM 0 HB3 PHE P 8 0.787 -8.289 3.061 1.00 0.00 H new ATOM 0 HD1 PHE P 8 3.019 -8.473 6.000 1.00 0.00 H new ATOM 0 HD2 PHE P 8 0.251 -6.013 3.804 1.00 0.00 H new ATOM 0 HE1 PHE P 8 3.898 -6.456 7.151 1.00 0.00 H new ATOM 0 HE2 PHE P 8 1.177 -3.990 4.909 1.00 0.00 H new ATOM 0 HZ PHE P 8 3.013 -4.207 6.573 1.00 0.00 H new ATOM 178 N THR P 9 -1.322 -10.449 2.834 1.00 0.00 N ATOM 179 CA THR P 9 -1.573 -11.456 1.785 1.00 0.00 C ATOM 180 C THR P 9 -0.507 -11.397 0.687 1.00 0.00 C ATOM 181 O THR P 9 0.133 -10.362 0.476 1.00 0.00 O ATOM 182 CB THR P 9 -2.973 -11.332 1.158 1.00 0.00 C ATOM 183 OG1 THR P 9 -3.078 -10.164 0.375 1.00 0.00 O ATOM 184 CG2 THR P 9 -4.093 -11.306 2.197 1.00 0.00 C ATOM 0 H THR P 9 -1.922 -9.627 2.770 1.00 0.00 H new ATOM 0 HA THR P 9 -1.520 -12.424 2.284 1.00 0.00 H new ATOM 0 HB THR P 9 -3.092 -12.221 0.539 1.00 0.00 H new ATOM 0 HG1 THR P 9 -3.976 -10.110 -0.013 1.00 0.00 H new ATOM 0 HG21 THR P 9 -5.055 -11.217 1.693 1.00 0.00 H new ATOM 0 HG22 THR P 9 -4.072 -12.228 2.778 1.00 0.00 H new ATOM 0 HG23 THR P 9 -3.952 -10.454 2.862 1.00 0.00 H new ATOM 192 N SER P 10 -0.335 -12.485 -0.071 1.00 0.00 N ATOM 193 CA SER P 10 0.565 -12.512 -1.237 1.00 0.00 C ATOM 194 C SER P 10 0.192 -11.447 -2.278 1.00 0.00 C ATOM 195 O SER P 10 1.070 -10.855 -2.905 1.00 0.00 O ATOM 196 CB SER P 10 0.536 -13.896 -1.898 1.00 0.00 C ATOM 197 OG SER P 10 0.867 -14.906 -0.954 1.00 0.00 O ATOM 0 H SER P 10 -0.812 -13.370 0.102 1.00 0.00 H new ATOM 0 HA SER P 10 1.569 -12.293 -0.872 1.00 0.00 H new ATOM 0 HB2 SER P 10 -0.454 -14.087 -2.312 1.00 0.00 H new ATOM 0 HB3 SER P 10 1.240 -13.923 -2.730 1.00 0.00 H new ATOM 0 HG SER P 10 0.842 -15.783 -1.391 1.00 0.00 H new ATOM 203 N GLN P 11 -1.103 -11.150 -2.420 1.00 0.00 N ATOM 204 CA GLN P 11 -1.633 -10.121 -3.315 1.00 0.00 C ATOM 205 C GLN P 11 -1.316 -8.703 -2.816 1.00 0.00 C ATOM 206 O GLN P 11 -0.888 -7.866 -3.609 1.00 0.00 O ATOM 207 CB GLN P 11 -3.150 -10.312 -3.497 1.00 0.00 C ATOM 208 CG GLN P 11 -3.534 -11.627 -4.205 1.00 0.00 C ATOM 209 CD GLN P 11 -3.530 -12.886 -3.327 1.00 0.00 C ATOM 210 OE1 GLN P 11 -3.340 -12.864 -2.117 1.00 0.00 O ATOM 211 NE2 GLN P 11 -3.739 -14.048 -3.908 1.00 0.00 N ATOM 0 H GLN P 11 -1.833 -11.635 -1.898 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.141 -10.234 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -3.630 -10.284 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.546 -9.473 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -4.529 -11.509 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -2.846 -11.784 -5.036 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -3.900 -14.093 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -3.740 -14.903 -3.352 1.00 0.00 H new ATOM 220 N GLN P 12 -1.444 -8.435 -1.510 1.00 0.00 N ATOM 221 CA GLN P 12 -1.036 -7.160 -0.902 1.00 0.00 C ATOM 222 C GLN P 12 0.471 -6.913 -1.065 1.00 0.00 C ATOM 223 O GLN P 12 0.874 -5.820 -1.464 1.00 0.00 O ATOM 224 CB GLN P 12 -1.410 -7.151 0.589 1.00 0.00 C ATOM 225 CG GLN P 12 -2.909 -6.902 0.815 1.00 0.00 C ATOM 226 CD GLN P 12 -3.350 -7.143 2.259 1.00 0.00 C ATOM 227 OE1 GLN P 12 -2.728 -7.862 3.035 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.445 -6.550 2.681 1.00 0.00 N ATOM 0 H GLN P 12 -1.835 -9.099 -0.842 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.563 -6.358 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.131 -8.105 1.036 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -0.835 -6.379 1.100 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.146 -5.875 0.536 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.482 -7.552 0.154 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -4.975 -5.949 2.050 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -4.765 -6.691 3.639 1.00 0.00 H new ATOM 237 N LEU P 13 1.300 -7.935 -0.821 1.00 0.00 N ATOM 238 CA LEU P 13 2.755 -7.857 -0.989 1.00 0.00 C ATOM 239 C LEU P 13 3.155 -7.636 -2.458 1.00 0.00 C ATOM 240 O LEU P 13 4.004 -6.789 -2.739 1.00 0.00 O ATOM 241 CB LEU P 13 3.405 -9.136 -0.425 1.00 0.00 C ATOM 242 CG LEU P 13 3.292 -9.302 1.104 1.00 0.00 C ATOM 243 CD1 LEU P 13 3.824 -10.673 1.521 1.00 0.00 C ATOM 244 CD2 LEU P 13 4.079 -8.230 1.857 1.00 0.00 C ATOM 0 H LEU P 13 0.976 -8.847 -0.499 1.00 0.00 H new ATOM 0 HA LEU P 13 3.118 -6.992 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.947 -10.001 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.460 -9.141 -0.699 1.00 0.00 H new ATOM 0 HG LEU P 13 2.237 -9.203 1.359 1.00 0.00 H new ATOM 0 HD11 LEU P 13 3.741 -10.782 2.602 1.00 0.00 H new ATOM 0 HD12 LEU P 13 3.242 -11.454 1.032 1.00 0.00 H new ATOM 0 HD13 LEU P 13 4.870 -10.762 1.227 1.00 0.00 H new ATOM 0 HD21 LEU P 13 3.971 -8.386 2.930 1.00 0.00 H new ATOM 0 HD22 LEU P 13 5.133 -8.294 1.585 1.00 0.00 H new ATOM 0 HD23 LEU P 13 3.696 -7.244 1.593 1.00 0.00 H new ATOM 256 N GLN P 14 2.514 -8.337 -3.401 1.00 0.00 N ATOM 257 CA GLN P 14 2.752 -8.159 -4.837 1.00 0.00 C ATOM 258 C GLN P 14 2.324 -6.762 -5.317 1.00 0.00 C ATOM 259 O GLN P 14 3.057 -6.124 -6.074 1.00 0.00 O ATOM 260 CB GLN P 14 2.028 -9.278 -5.605 1.00 0.00 C ATOM 261 CG GLN P 14 2.307 -9.240 -7.115 1.00 0.00 C ATOM 262 CD GLN P 14 1.640 -10.408 -7.839 1.00 0.00 C ATOM 263 OE1 GLN P 14 0.558 -10.292 -8.402 1.00 0.00 O ATOM 264 NE2 GLN P 14 2.243 -11.579 -7.849 1.00 0.00 N ATOM 0 H GLN P 14 1.813 -9.046 -3.188 1.00 0.00 H new ATOM 0 HA GLN P 14 3.822 -8.229 -5.034 1.00 0.00 H new ATOM 0 HB2 GLN P 14 2.337 -10.244 -5.207 1.00 0.00 H new ATOM 0 HB3 GLN P 14 0.955 -9.193 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN P 14 1.944 -8.299 -7.529 1.00 0.00 H new ATOM 0 HG3 GLN P 14 3.383 -9.270 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN P 14 3.144 -11.693 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN P 14 1.809 -12.372 -8.321 1.00 0.00 H new ATOM 273 N GLU P 15 1.179 -6.254 -4.853 1.00 0.00 N ATOM 274 CA GLU P 15 0.689 -4.918 -5.207 1.00 0.00 C ATOM 275 C GLU P 15 1.596 -3.811 -4.648 1.00 0.00 C ATOM 276 O GLU P 15 1.914 -2.868 -5.368 1.00 0.00 O ATOM 277 CB GLU P 15 -0.762 -4.754 -4.723 1.00 0.00 C ATOM 278 CG GLU P 15 -1.475 -3.518 -5.291 1.00 0.00 C ATOM 279 CD GLU P 15 -1.828 -3.694 -6.783 1.00 0.00 C ATOM 280 OE1 GLU P 15 -2.935 -4.201 -7.091 1.00 0.00 O ATOM 281 OE2 GLU P 15 -1.010 -3.326 -7.660 1.00 0.00 O ATOM 0 H GLU P 15 0.562 -6.760 -4.218 1.00 0.00 H new ATOM 0 HA GLU P 15 0.711 -4.819 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.328 -5.645 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -0.766 -4.695 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -2.386 -3.330 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -0.837 -2.643 -5.169 1.00 0.00 H new ATOM 288 N LEU P 16 2.076 -3.934 -3.404 1.00 0.00 N ATOM 289 CA LEU P 16 3.008 -2.976 -2.792 1.00 0.00 C ATOM 290 C LEU P 16 4.398 -2.997 -3.450 1.00 0.00 C ATOM 291 O LEU P 16 4.986 -1.939 -3.676 1.00 0.00 O ATOM 292 CB LEU P 16 3.099 -3.255 -1.283 1.00 0.00 C ATOM 293 CG LEU P 16 1.925 -2.665 -0.484 1.00 0.00 C ATOM 294 CD1 LEU P 16 1.836 -3.329 0.891 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.092 -1.161 -0.262 1.00 0.00 C ATOM 0 H LEU P 16 1.827 -4.708 -2.788 1.00 0.00 H new ATOM 0 HA LEU P 16 2.618 -1.971 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU P 16 3.135 -4.332 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.033 -2.844 -0.900 1.00 0.00 H new ATOM 0 HG LEU P 16 1.022 -2.849 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.001 -2.903 1.447 1.00 0.00 H new ATOM 0 HD12 LEU P 16 1.681 -4.401 0.768 1.00 0.00 H new ATOM 0 HD13 LEU P 16 2.763 -3.157 1.439 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.243 -0.781 0.306 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.012 -0.975 0.292 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.140 -0.654 -1.226 1.00 0.00 H new ATOM 307 N GLU P 17 4.905 -4.172 -3.830 1.00 0.00 N ATOM 308 CA GLU P 17 6.159 -4.304 -4.582 1.00 0.00 C ATOM 309 C GLU P 17 6.046 -3.691 -5.987 1.00 0.00 C ATOM 310 O GLU P 17 6.920 -2.923 -6.396 1.00 0.00 O ATOM 311 CB GLU P 17 6.559 -5.790 -4.620 1.00 0.00 C ATOM 312 CG GLU P 17 7.798 -6.116 -5.468 1.00 0.00 C ATOM 313 CD GLU P 17 9.091 -5.394 -5.043 1.00 0.00 C ATOM 314 OE1 GLU P 17 9.209 -4.890 -3.901 1.00 0.00 O ATOM 315 OE2 GLU P 17 10.036 -5.343 -5.862 1.00 0.00 O ATOM 0 H GLU P 17 4.456 -5.065 -3.624 1.00 0.00 H new ATOM 0 HA GLU P 17 6.946 -3.742 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU P 17 6.739 -6.127 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU P 17 5.716 -6.366 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU P 17 7.972 -7.191 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU P 17 7.584 -5.864 -6.507 1.00 0.00 H new ATOM 322 N ALA P 18 4.947 -3.952 -6.704 1.00 0.00 N ATOM 323 CA ALA P 18 4.666 -3.328 -7.998 1.00 0.00 C ATOM 324 C ALA P 18 4.475 -1.804 -7.873 1.00 0.00 C ATOM 325 O ALA P 18 4.997 -1.049 -8.692 1.00 0.00 O ATOM 326 CB ALA P 18 3.436 -4.006 -8.612 1.00 0.00 C ATOM 0 H ALA P 18 4.225 -4.605 -6.400 1.00 0.00 H new ATOM 0 HA ALA P 18 5.523 -3.468 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA P 18 3.214 -3.551 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA P 18 3.637 -5.069 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA P 18 2.582 -3.881 -7.947 1.00 0.00 H new ATOM 332 N THR P 19 3.802 -1.340 -6.815 1.00 0.00 N ATOM 333 CA THR P 19 3.616 0.084 -6.479 1.00 0.00 C ATOM 334 C THR P 19 4.963 0.787 -6.286 1.00 0.00 C ATOM 335 O THR P 19 5.199 1.830 -6.899 1.00 0.00 O ATOM 336 CB THR P 19 2.735 0.209 -5.219 1.00 0.00 C ATOM 337 OG1 THR P 19 1.421 -0.202 -5.523 1.00 0.00 O ATOM 338 CG2 THR P 19 2.604 1.603 -4.617 1.00 0.00 C ATOM 0 H THR P 19 3.355 -1.963 -6.143 1.00 0.00 H new ATOM 0 HA THR P 19 3.112 0.578 -7.309 1.00 0.00 H new ATOM 0 HB THR P 19 3.248 -0.414 -4.487 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.376 -1.181 -5.521 1.00 0.00 H new ATOM 0 HG21 THR P 19 1.961 1.561 -3.738 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.589 1.969 -4.329 1.00 0.00 H new ATOM 0 HG23 THR P 19 2.168 2.278 -5.353 1.00 0.00 H new ATOM 346 N PHE P 20 5.881 0.195 -5.513 1.00 0.00 N ATOM 347 CA PHE P 20 7.211 0.765 -5.274 1.00 0.00 C ATOM 348 C PHE P 20 8.096 0.745 -6.532 1.00 0.00 C ATOM 349 O PHE P 20 8.782 1.724 -6.814 1.00 0.00 O ATOM 350 CB PHE P 20 7.883 0.024 -4.111 1.00 0.00 C ATOM 351 CG PHE P 20 9.068 0.755 -3.504 1.00 0.00 C ATOM 352 CD1 PHE P 20 8.865 1.950 -2.785 1.00 0.00 C ATOM 353 CD2 PHE P 20 10.369 0.230 -3.626 1.00 0.00 C ATOM 354 CE1 PHE P 20 9.950 2.603 -2.172 1.00 0.00 C ATOM 355 CE2 PHE P 20 11.454 0.884 -3.013 1.00 0.00 C ATOM 356 CZ PHE P 20 11.245 2.067 -2.284 1.00 0.00 C ATOM 0 H PHE P 20 5.722 -0.692 -5.036 1.00 0.00 H new ATOM 0 HA PHE P 20 7.085 1.815 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.142 -0.152 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE P 20 8.215 -0.953 -4.462 1.00 0.00 H new ATOM 0 HD1 PHE P 20 7.872 2.366 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE P 20 10.534 -0.676 -4.191 1.00 0.00 H new ATOM 0 HE1 PHE P 20 9.788 3.515 -1.616 1.00 0.00 H new ATOM 0 HE2 PHE P 20 12.450 0.476 -3.103 1.00 0.00 H new ATOM 0 HZ PHE P 20 12.078 2.564 -1.810 1.00 0.00 H new ATOM 366 N GLN P 21 8.059 -0.327 -7.329 1.00 0.00 N ATOM 367 CA GLN P 21 8.846 -0.426 -8.567 1.00 0.00 C ATOM 368 C GLN P 21 8.315 0.475 -9.700 1.00 0.00 C ATOM 369 O GLN P 21 9.111 0.992 -10.488 1.00 0.00 O ATOM 370 CB GLN P 21 8.921 -1.896 -9.014 1.00 0.00 C ATOM 371 CG GLN P 21 9.863 -2.730 -8.129 1.00 0.00 C ATOM 372 CD GLN P 21 11.332 -2.381 -8.353 1.00 0.00 C ATOM 373 OE1 GLN P 21 11.939 -1.593 -7.637 1.00 0.00 O ATOM 374 NE2 GLN P 21 11.970 -2.936 -9.361 1.00 0.00 N ATOM 0 H GLN P 21 7.486 -1.149 -7.137 1.00 0.00 H new ATOM 0 HA GLN P 21 9.848 -0.059 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN P 21 7.922 -2.332 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN P 21 9.263 -1.942 -10.048 1.00 0.00 H new ATOM 0 HG2 GLN P 21 9.610 -2.569 -7.081 1.00 0.00 H new ATOM 0 HG3 GLN P 21 9.708 -3.789 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN P 21 11.486 -3.595 -9.971 1.00 0.00 H new ATOM 0 HE22 GLN P 21 12.949 -2.707 -9.533 1.00 0.00 H new ATOM 383 N ARG P 22 6.996 0.711 -9.769 1.00 0.00 N ATOM 384 CA ARG P 22 6.362 1.642 -10.724 1.00 0.00 C ATOM 385 C ARG P 22 6.598 3.109 -10.346 1.00 0.00 C ATOM 386 O ARG P 22 6.837 3.935 -11.228 1.00 0.00 O ATOM 387 CB ARG P 22 4.864 1.301 -10.829 1.00 0.00 C ATOM 388 CG ARG P 22 4.131 2.124 -11.900 1.00 0.00 C ATOM 389 CD ARG P 22 2.672 1.665 -12.031 1.00 0.00 C ATOM 390 NE ARG P 22 1.952 2.437 -13.064 1.00 0.00 N ATOM 391 CZ ARG P 22 1.305 3.580 -12.910 1.00 0.00 C ATOM 392 NH1 ARG P 22 1.226 4.190 -11.760 1.00 0.00 N ATOM 393 NH2 ARG P 22 0.717 4.143 -13.927 1.00 0.00 N ATOM 0 H ARG P 22 6.325 0.253 -9.152 1.00 0.00 H new ATOM 0 HA ARG P 22 6.824 1.517 -11.703 1.00 0.00 H new ATOM 0 HB2 ARG P 22 4.754 0.241 -11.056 1.00 0.00 H new ATOM 0 HB3 ARG P 22 4.390 1.471 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG P 22 4.163 3.182 -11.638 1.00 0.00 H new ATOM 0 HG3 ARG P 22 4.639 2.017 -12.859 1.00 0.00 H new ATOM 0 HD2 ARG P 22 2.644 0.605 -12.282 1.00 0.00 H new ATOM 0 HD3 ARG P 22 2.166 1.779 -11.072 1.00 0.00 H new ATOM 0 HE ARG P 22 1.954 2.043 -14.005 1.00 0.00 H new ATOM 0 HH11 ARG P 22 1.673 3.786 -10.937 1.00 0.00 H new ATOM 0 HH12 ARG P 22 0.717 5.071 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG P 22 0.755 3.702 -14.846 1.00 0.00 H new ATOM 0 HH22 ARG P 22 0.219 5.025 -13.804 1.00 0.00 H new ATOM 407 N ASN P 23 6.558 3.427 -9.051 1.00 0.00 N ATOM 408 CA ASN P 23 6.800 4.764 -8.508 1.00 0.00 C ATOM 409 C ASN P 23 7.594 4.672 -7.190 1.00 0.00 C ATOM 410 O ASN P 23 7.010 4.532 -6.110 1.00 0.00 O ATOM 411 CB ASN P 23 5.435 5.467 -8.349 1.00 0.00 C ATOM 412 CG ASN P 23 5.572 6.917 -7.909 1.00 0.00 C ATOM 413 OD1 ASN P 23 5.456 7.845 -8.697 1.00 0.00 O ATOM 414 ND2 ASN P 23 5.838 7.161 -6.648 1.00 0.00 N ATOM 0 H ASN P 23 6.349 2.738 -8.328 1.00 0.00 H new ATOM 0 HA ASN P 23 7.415 5.360 -9.183 1.00 0.00 H new ATOM 0 HB2 ASN P 23 4.898 5.428 -9.297 1.00 0.00 H new ATOM 0 HB3 ASN P 23 4.834 4.925 -7.619 1.00 0.00 H new ATOM 0 HD21 ASN P 23 5.948 8.123 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN P 23 5.935 6.389 -5.989 1.00 0.00 H new ATOM 421 N ARG P 24 8.928 4.790 -7.267 1.00 0.00 N ATOM 422 CA ARG P 24 9.810 4.808 -6.088 1.00 0.00 C ATOM 423 C ARG P 24 9.520 6.018 -5.197 1.00 0.00 C ATOM 424 O ARG P 24 9.216 7.105 -5.691 1.00 0.00 O ATOM 425 CB ARG P 24 11.291 4.787 -6.516 1.00 0.00 C ATOM 426 CG ARG P 24 11.795 3.422 -7.015 1.00 0.00 C ATOM 427 CD ARG P 24 11.864 2.392 -5.879 1.00 0.00 C ATOM 428 NE ARG P 24 12.531 1.146 -6.307 1.00 0.00 N ATOM 429 CZ ARG P 24 13.775 0.783 -6.062 1.00 0.00 C ATOM 430 NH1 ARG P 24 14.592 1.511 -5.359 1.00 0.00 N ATOM 431 NH2 ARG P 24 14.217 -0.345 -6.532 1.00 0.00 N ATOM 0 H ARG P 24 9.428 4.876 -8.152 1.00 0.00 H new ATOM 0 HA ARG P 24 9.608 3.909 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG P 24 11.438 5.524 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG P 24 11.904 5.099 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG P 24 11.134 3.055 -7.800 1.00 0.00 H new ATOM 0 HG3 ARG P 24 12.783 3.539 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG P 24 12.402 2.820 -5.033 1.00 0.00 H new ATOM 0 HD3 ARG P 24 10.856 2.164 -5.533 1.00 0.00 H new ATOM 0 HE ARG P 24 11.967 0.494 -6.852 1.00 0.00 H new ATOM 0 HH11 ARG P 24 14.278 2.401 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG P 24 15.547 1.192 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG P 24 13.603 -0.942 -7.086 1.00 0.00 H new ATOM 0 HH22 ARG P 24 15.178 -0.633 -6.347 1.00 0.00 H new ATOM 445 N TYR P 25 9.646 5.815 -3.886 1.00 0.00 N ATOM 446 CA TYR P 25 9.473 6.837 -2.842 1.00 0.00 C ATOM 447 C TYR P 25 8.164 7.657 -2.975 1.00 0.00 C ATOM 448 O TYR P 25 8.214 8.880 -3.146 1.00 0.00 O ATOM 449 CB TYR P 25 10.754 7.687 -2.759 1.00 0.00 C ATOM 450 CG TYR P 25 12.025 6.859 -2.663 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.219 6.008 -1.560 1.00 0.00 C ATOM 452 CD2 TYR P 25 12.981 6.895 -3.698 1.00 0.00 C ATOM 453 CE1 TYR P 25 13.367 5.200 -1.488 1.00 0.00 C ATOM 454 CE2 TYR P 25 14.145 6.103 -3.616 1.00 0.00 C ATOM 455 CZ TYR P 25 14.344 5.257 -2.503 1.00 0.00 C ATOM 456 OH TYR P 25 15.474 4.502 -2.398 1.00 0.00 O ATOM 0 H TYR P 25 9.881 4.900 -3.502 1.00 0.00 H new ATOM 0 HA TYR P 25 9.337 6.337 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR P 25 10.813 8.328 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR P 25 10.690 8.342 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR P 25 11.486 5.975 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR P 25 12.822 7.531 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR P 25 13.501 4.532 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR P 25 14.883 6.143 -4.403 1.00 0.00 H new ATOM 0 HH TYR P 25 16.044 4.656 -3.180 1.00 0.00 H new ATOM 466 N PRO P 26 6.980 7.005 -2.910 1.00 0.00 N ATOM 467 CA PRO P 26 5.679 7.675 -3.007 1.00 0.00 C ATOM 468 C PRO P 26 5.464 8.717 -1.898 1.00 0.00 C ATOM 469 O PRO P 26 5.983 8.580 -0.787 1.00 0.00 O ATOM 470 CB PRO P 26 4.630 6.555 -2.967 1.00 0.00 C ATOM 471 CG PRO P 26 5.336 5.415 -2.235 1.00 0.00 C ATOM 472 CD PRO P 26 6.793 5.580 -2.656 1.00 0.00 C ATOM 0 HA PRO P 26 5.607 8.251 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO P 26 3.729 6.870 -2.441 1.00 0.00 H new ATOM 0 HB3 PRO P 26 4.325 6.257 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO P 26 5.217 5.496 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO P 26 4.940 4.442 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO P 26 7.467 5.232 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO P 26 7.010 4.993 -3.548 1.00 0.00 H new ATOM 480 N ASP P 27 4.667 9.746 -2.186 1.00 0.00 N ATOM 481 CA ASP P 27 4.237 10.757 -1.211 1.00 0.00 C ATOM 482 C ASP P 27 3.299 10.149 -0.152 1.00 0.00 C ATOM 483 O ASP P 27 2.583 9.184 -0.424 1.00 0.00 O ATOM 484 CB ASP P 27 3.566 11.917 -1.960 1.00 0.00 C ATOM 485 CG ASP P 27 3.097 13.023 -1.003 1.00 0.00 C ATOM 486 OD1 ASP P 27 3.914 13.910 -0.659 1.00 0.00 O ATOM 487 OD2 ASP P 27 1.927 12.972 -0.561 1.00 0.00 O ATOM 0 H ASP P 27 4.293 9.906 -3.121 1.00 0.00 H new ATOM 0 HA ASP P 27 5.107 11.135 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP P 27 4.266 12.336 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP P 27 2.713 11.540 -2.524 1.00 0.00 H new ATOM 492 N MET P 28 3.273 10.711 1.060 1.00 0.00 N ATOM 493 CA MET P 28 2.486 10.173 2.178 1.00 0.00 C ATOM 494 C MET P 28 0.977 10.101 1.893 1.00 0.00 C ATOM 495 O MET P 28 0.324 9.184 2.398 1.00 0.00 O ATOM 496 CB MET P 28 2.762 10.981 3.459 1.00 0.00 C ATOM 497 CG MET P 28 4.246 10.979 3.847 1.00 0.00 C ATOM 498 SD MET P 28 4.970 9.333 4.108 1.00 0.00 S ATOM 499 CE MET P 28 6.620 9.630 3.419 1.00 0.00 C ATOM 0 H MET P 28 3.797 11.553 1.296 1.00 0.00 H new ATOM 0 HA MET P 28 2.812 9.142 2.317 1.00 0.00 H new ATOM 0 HB2 MET P 28 2.429 12.009 3.315 1.00 0.00 H new ATOM 0 HB3 MET P 28 2.175 10.567 4.279 1.00 0.00 H new ATOM 0 HG2 MET P 28 4.811 11.488 3.066 1.00 0.00 H new ATOM 0 HG3 MET P 28 4.368 11.562 4.760 1.00 0.00 H new ATOM 0 HE1 MET P 28 7.220 8.725 3.510 1.00 0.00 H new ATOM 0 HE2 MET P 28 6.531 9.903 2.367 1.00 0.00 H new ATOM 0 HE3 MET P 28 7.102 10.441 3.965 1.00 0.00 H new ATOM 509 N SER P 29 0.425 10.985 1.055 1.00 0.00 N ATOM 510 CA SER P 29 -0.973 10.909 0.601 1.00 0.00 C ATOM 511 C SER P 29 -1.184 9.838 -0.479 1.00 0.00 C ATOM 512 O SER P 29 -2.219 9.174 -0.487 1.00 0.00 O ATOM 513 CB SER P 29 -1.451 12.270 0.083 1.00 0.00 C ATOM 514 OG SER P 29 -1.442 13.232 1.129 1.00 0.00 O ATOM 0 H SER P 29 0.936 11.779 0.669 1.00 0.00 H new ATOM 0 HA SER P 29 -1.566 10.622 1.469 1.00 0.00 H new ATOM 0 HB2 SER P 29 -0.806 12.603 -0.731 1.00 0.00 H new ATOM 0 HB3 SER P 29 -2.457 12.177 -0.325 1.00 0.00 H new ATOM 0 HG SER P 29 -1.748 14.096 0.782 1.00 0.00 H new ATOM 520 N THR P 30 -0.193 9.592 -1.345 1.00 0.00 N ATOM 521 CA THR P 30 -0.208 8.472 -2.306 1.00 0.00 C ATOM 522 C THR P 30 -0.191 7.132 -1.567 1.00 0.00 C ATOM 523 O THR P 30 -1.011 6.260 -1.858 1.00 0.00 O ATOM 524 CB THR P 30 0.982 8.552 -3.280 1.00 0.00 C ATOM 525 OG1 THR P 30 1.044 9.825 -3.889 1.00 0.00 O ATOM 526 CG2 THR P 30 0.913 7.515 -4.401 1.00 0.00 C ATOM 0 H THR P 30 0.649 10.165 -1.402 1.00 0.00 H new ATOM 0 HA THR P 30 -1.127 8.547 -2.887 1.00 0.00 H new ATOM 0 HB THR P 30 1.866 8.357 -2.673 1.00 0.00 H new ATOM 0 HG1 THR P 30 1.807 9.857 -4.503 1.00 0.00 H new ATOM 0 HG21 THR P 30 1.780 7.625 -5.052 1.00 0.00 H new ATOM 0 HG22 THR P 30 0.907 6.514 -3.970 1.00 0.00 H new ATOM 0 HG23 THR P 30 0.003 7.666 -4.981 1.00 0.00 H new ATOM 534 N ARG P 31 0.672 6.992 -0.547 1.00 0.00 N ATOM 535 CA ARG P 31 0.703 5.828 0.364 1.00 0.00 C ATOM 536 C ARG P 31 -0.644 5.602 1.060 1.00 0.00 C ATOM 537 O ARG P 31 -1.080 4.464 1.207 1.00 0.00 O ATOM 538 CB ARG P 31 1.809 5.999 1.424 1.00 0.00 C ATOM 539 CG ARG P 31 3.220 6.071 0.824 1.00 0.00 C ATOM 540 CD ARG P 31 4.285 6.277 1.908 1.00 0.00 C ATOM 541 NE ARG P 31 5.538 6.770 1.314 1.00 0.00 N ATOM 542 CZ ARG P 31 6.786 6.549 1.671 1.00 0.00 C ATOM 543 NH1 ARG P 31 7.125 5.782 2.668 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.730 7.145 1.005 1.00 0.00 N ATOM 0 H ARG P 31 1.379 7.693 -0.326 1.00 0.00 H new ATOM 0 HA ARG P 31 0.916 4.952 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.618 6.908 1.995 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.762 5.166 2.125 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.430 5.152 0.276 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.269 6.889 0.105 1.00 0.00 H new ATOM 0 HD2 ARG P 31 3.923 6.988 2.651 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.468 5.337 2.429 1.00 0.00 H new ATOM 0 HE ARG P 31 5.422 7.376 0.501 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.405 5.315 3.219 1.00 0.00 H new ATOM 0 HH12 ARG P 31 8.110 5.649 2.897 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.494 7.764 0.229 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.706 6.994 1.258 1.00 0.00 H new ATOM 558 N GLU P 32 -1.323 6.675 1.461 1.00 0.00 N ATOM 559 CA GLU P 32 -2.622 6.608 2.147 1.00 0.00 C ATOM 560 C GLU P 32 -3.774 6.181 1.221 1.00 0.00 C ATOM 561 O GLU P 32 -4.652 5.427 1.640 1.00 0.00 O ATOM 562 CB GLU P 32 -2.887 7.972 2.805 1.00 0.00 C ATOM 563 CG GLU P 32 -3.971 7.955 3.886 1.00 0.00 C ATOM 564 CD GLU P 32 -3.964 9.272 4.691 1.00 0.00 C ATOM 565 OE1 GLU P 32 -2.984 9.526 5.438 1.00 0.00 O ATOM 566 OE2 GLU P 32 -4.936 10.060 4.584 1.00 0.00 O ATOM 0 H GLU P 32 -0.987 7.628 1.320 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.577 5.829 2.908 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -1.958 8.336 3.245 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.174 8.685 2.032 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -4.948 7.811 3.425 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -3.808 7.112 4.558 1.00 0.00 H new ATOM 573 N GLU P 33 -3.751 6.584 -0.054 1.00 0.00 N ATOM 574 CA GLU P 33 -4.711 6.104 -1.059 1.00 0.00 C ATOM 575 C GLU P 33 -4.482 4.625 -1.408 1.00 0.00 C ATOM 576 O GLU P 33 -5.433 3.844 -1.398 1.00 0.00 O ATOM 577 CB GLU P 33 -4.649 6.964 -2.331 1.00 0.00 C ATOM 578 CG GLU P 33 -5.235 8.373 -2.159 1.00 0.00 C ATOM 579 CD GLU P 33 -6.763 8.348 -1.960 1.00 0.00 C ATOM 580 OE1 GLU P 33 -7.509 8.221 -2.962 1.00 0.00 O ATOM 581 OE2 GLU P 33 -7.235 8.475 -0.804 1.00 0.00 O ATOM 0 H GLU P 33 -3.070 7.250 -0.419 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.705 6.194 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.610 7.050 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -5.186 6.453 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -4.767 8.857 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.994 8.974 -3.036 1.00 0.00 H new ATOM 588 N ILE P 34 -3.236 4.193 -1.642 1.00 0.00 N ATOM 589 CA ILE P 34 -2.971 2.773 -1.937 1.00 0.00 C ATOM 590 C ILE P 34 -3.225 1.865 -0.721 1.00 0.00 C ATOM 591 O ILE P 34 -3.550 0.693 -0.902 1.00 0.00 O ATOM 592 CB ILE P 34 -1.604 2.538 -2.623 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.356 2.821 -1.770 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.499 3.378 -3.907 1.00 0.00 C ATOM 595 CD1 ILE P 34 -0.013 1.718 -0.769 1.00 0.00 C ATOM 0 H ILE P 34 -2.409 4.790 -1.634 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.706 2.471 -2.683 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.600 1.466 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.496 2.971 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.506 3.754 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.532 3.202 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -2.295 3.093 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.595 4.435 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE P 34 0.880 1.999 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.846 1.581 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.172 0.786 -1.304 1.00 0.00 H new ATOM 607 N ALA P 35 -3.170 2.394 0.508 1.00 0.00 N ATOM 608 CA ALA P 35 -3.536 1.670 1.729 1.00 0.00 C ATOM 609 C ALA P 35 -5.029 1.291 1.742 1.00 0.00 C ATOM 610 O ALA P 35 -5.359 0.129 1.966 1.00 0.00 O ATOM 611 CB ALA P 35 -3.140 2.503 2.954 1.00 0.00 C ATOM 0 H ALA P 35 -2.865 3.352 0.683 1.00 0.00 H new ATOM 0 HA ALA P 35 -2.987 0.729 1.759 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.412 1.966 3.863 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -2.064 2.677 2.943 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.662 3.459 2.928 1.00 0.00 H new ATOM 617 N VAL P 36 -5.945 2.213 1.422 1.00 0.00 N ATOM 618 CA VAL P 36 -7.384 1.891 1.337 1.00 0.00 C ATOM 619 C VAL P 36 -7.719 0.994 0.136 1.00 0.00 C ATOM 620 O VAL P 36 -8.628 0.168 0.233 1.00 0.00 O ATOM 621 CB VAL P 36 -8.292 3.137 1.401 1.00 0.00 C ATOM 622 CG1 VAL P 36 -8.139 3.862 2.741 1.00 0.00 C ATOM 623 CG2 VAL P 36 -8.054 4.168 0.300 1.00 0.00 C ATOM 0 H VAL P 36 -5.721 3.187 1.217 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.604 1.311 2.233 1.00 0.00 H new ATOM 0 HB VAL P 36 -9.295 2.732 1.267 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -8.790 4.736 2.758 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -8.414 3.188 3.553 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -7.104 4.179 2.867 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.740 5.005 0.431 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -7.027 4.528 0.355 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -8.226 3.707 -0.673 1.00 0.00 H new ATOM 633 N TRP P 37 -6.955 1.068 -0.963 1.00 0.00 N ATOM 634 CA TRP P 37 -7.118 0.190 -2.136 1.00 0.00 C ATOM 635 C TRP P 37 -6.613 -1.246 -1.894 1.00 0.00 C ATOM 636 O TRP P 37 -7.205 -2.200 -2.403 1.00 0.00 O ATOM 637 CB TRP P 37 -6.414 0.816 -3.353 1.00 0.00 C ATOM 638 CG TRP P 37 -6.827 2.200 -3.766 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.904 2.877 -3.308 1.00 0.00 C ATOM 640 CD2 TRP P 37 -6.156 3.117 -4.686 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.921 4.155 -3.828 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.870 4.355 -4.698 1.00 0.00 C ATOM 643 CE3 TRP P 37 -5.010 3.032 -5.508 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -6.464 5.451 -5.473 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -4.594 4.127 -6.292 1.00 0.00 C ATOM 646 CH2 TRP P 37 -5.315 5.335 -6.275 1.00 0.00 C ATOM 0 H TRP P 37 -6.199 1.745 -1.066 1.00 0.00 H new ATOM 0 HA TRP P 37 -8.187 0.106 -2.329 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -5.343 0.833 -3.148 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.565 0.153 -4.205 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.645 2.475 -2.632 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.621 4.861 -3.598 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -4.443 2.113 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -7.027 6.373 -5.454 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -3.714 4.038 -6.911 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.987 6.170 -6.876 1.00 0.00 H new ATOM 657 N THR P 38 -5.565 -1.419 -1.078 1.00 0.00 N ATOM 658 CA THR P 38 -5.045 -2.731 -0.623 1.00 0.00 C ATOM 659 C THR P 38 -5.718 -3.251 0.657 1.00 0.00 C ATOM 660 O THR P 38 -5.438 -4.370 1.092 1.00 0.00 O ATOM 661 CB THR P 38 -3.516 -2.709 -0.430 1.00 0.00 C ATOM 662 OG1 THR P 38 -3.121 -1.661 0.422 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.759 -2.557 -1.748 1.00 0.00 C ATOM 0 H THR P 38 -5.035 -0.633 -0.701 1.00 0.00 H new ATOM 0 HA THR P 38 -5.296 -3.423 -1.427 1.00 0.00 H new ATOM 0 HB THR P 38 -3.266 -3.672 0.014 1.00 0.00 H new ATOM 0 HG1 THR P 38 -3.187 -0.808 -0.056 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.687 -2.548 -1.553 1.00 0.00 H new ATOM 0 HG22 THR P 38 -3.001 -3.392 -2.405 1.00 0.00 H new ATOM 0 HG23 THR P 38 -3.049 -1.622 -2.228 1.00 0.00 H new ATOM 671 N ASN P 39 -6.626 -2.465 1.249 1.00 0.00 N ATOM 672 CA ASN P 39 -7.282 -2.703 2.540 1.00 0.00 C ATOM 673 C ASN P 39 -6.275 -2.923 3.695 1.00 0.00 C ATOM 674 O ASN P 39 -6.320 -3.917 4.426 1.00 0.00 O ATOM 675 CB ASN P 39 -8.361 -3.795 2.376 1.00 0.00 C ATOM 676 CG ASN P 39 -9.436 -3.745 3.452 1.00 0.00 C ATOM 677 OD1 ASN P 39 -10.569 -3.346 3.216 1.00 0.00 O ATOM 678 ND2 ASN P 39 -9.128 -4.140 4.665 1.00 0.00 N ATOM 0 H ASN P 39 -6.940 -1.597 0.815 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.806 -1.800 2.855 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -8.830 -3.688 1.398 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -7.883 -4.774 2.395 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -9.831 -4.113 5.404 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -8.186 -4.474 4.869 1.00 0.00 H new ATOM 685 N LEU P 40 -5.348 -1.975 3.836 1.00 0.00 N ATOM 686 CA LEU P 40 -4.309 -1.891 4.866 1.00 0.00 C ATOM 687 C LEU P 40 -4.373 -0.550 5.620 1.00 0.00 C ATOM 688 O LEU P 40 -5.056 0.394 5.216 1.00 0.00 O ATOM 689 CB LEU P 40 -2.932 -2.085 4.198 1.00 0.00 C ATOM 690 CG LEU P 40 -2.663 -3.500 3.658 1.00 0.00 C ATOM 691 CD1 LEU P 40 -1.337 -3.507 2.902 1.00 0.00 C ATOM 692 CD2 LEU P 40 -2.567 -4.521 4.794 1.00 0.00 C ATOM 0 H LEU P 40 -5.299 -1.189 3.188 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.471 -2.677 5.604 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -2.841 -1.376 3.375 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.156 -1.835 4.922 1.00 0.00 H new ATOM 0 HG LEU P 40 -3.491 -3.772 3.003 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -1.143 -4.508 2.518 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.388 -2.803 2.071 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -0.532 -3.215 3.576 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -2.376 -5.511 4.379 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.752 -4.245 5.463 1.00 0.00 H new ATOM 0 HD23 LEU P 40 -3.504 -4.535 5.350 1.00 0.00 H new ATOM 704 N THR P 41 -3.626 -0.463 6.722 1.00 0.00 N ATOM 705 CA THR P 41 -3.444 0.762 7.519 1.00 0.00 C ATOM 706 C THR P 41 -2.305 1.598 6.936 1.00 0.00 C ATOM 707 O THR P 41 -1.237 1.069 6.630 1.00 0.00 O ATOM 708 CB THR P 41 -3.164 0.409 8.989 1.00 0.00 C ATOM 709 OG1 THR P 41 -4.200 -0.405 9.497 1.00 0.00 O ATOM 710 CG2 THR P 41 -3.070 1.615 9.917 1.00 0.00 C ATOM 0 H THR P 41 -3.115 -1.261 7.099 1.00 0.00 H new ATOM 0 HA THR P 41 -4.362 1.349 7.481 1.00 0.00 H new ATOM 0 HB THR P 41 -2.197 -0.094 8.975 1.00 0.00 H new ATOM 0 HG1 THR P 41 -4.625 0.043 10.258 1.00 0.00 H new ATOM 0 HG21 THR P 41 -2.871 1.277 10.934 1.00 0.00 H new ATOM 0 HG22 THR P 41 -2.261 2.266 9.586 1.00 0.00 H new ATOM 0 HG23 THR P 41 -4.011 2.165 9.895 1.00 0.00 H new ATOM 718 N GLU P 42 -2.493 2.911 6.799 1.00 0.00 N ATOM 719 CA GLU P 42 -1.500 3.797 6.173 1.00 0.00 C ATOM 720 C GLU P 42 -0.151 3.839 6.909 1.00 0.00 C ATOM 721 O GLU P 42 0.890 3.830 6.259 1.00 0.00 O ATOM 722 CB GLU P 42 -2.084 5.201 5.945 1.00 0.00 C ATOM 723 CG GLU P 42 -2.266 6.079 7.196 1.00 0.00 C ATOM 724 CD GLU P 42 -3.172 5.439 8.262 1.00 0.00 C ATOM 725 OE1 GLU P 42 -4.403 5.349 8.048 1.00 0.00 O ATOM 726 OE2 GLU P 42 -2.637 4.985 9.301 1.00 0.00 O ATOM 0 H GLU P 42 -3.334 3.393 7.116 1.00 0.00 H new ATOM 0 HA GLU P 42 -1.272 3.362 5.200 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -1.436 5.731 5.247 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -3.054 5.093 5.460 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -1.289 6.282 7.634 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.688 7.039 6.899 1.00 0.00 H new ATOM 733 N ALA P 43 -0.133 3.799 8.246 1.00 0.00 N ATOM 734 CA ALA P 43 1.108 3.712 9.022 1.00 0.00 C ATOM 735 C ALA P 43 1.854 2.377 8.799 1.00 0.00 C ATOM 736 O ALA P 43 3.076 2.365 8.643 1.00 0.00 O ATOM 737 CB ALA P 43 0.769 3.936 10.500 1.00 0.00 C ATOM 0 H ALA P 43 -0.976 3.826 8.819 1.00 0.00 H new ATOM 0 HA ALA P 43 1.795 4.486 8.680 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.680 3.875 11.095 1.00 0.00 H new ATOM 0 HB2 ALA P 43 0.319 4.921 10.625 1.00 0.00 H new ATOM 0 HB3 ALA P 43 0.067 3.171 10.832 1.00 0.00 H new ATOM 743 N ARG P 44 1.122 1.257 8.697 1.00 0.00 N ATOM 744 CA ARG P 44 1.670 -0.074 8.366 1.00 0.00 C ATOM 745 C ARG P 44 2.261 -0.102 6.951 1.00 0.00 C ATOM 746 O ARG P 44 3.346 -0.638 6.748 1.00 0.00 O ATOM 747 CB ARG P 44 0.563 -1.124 8.583 1.00 0.00 C ATOM 748 CG ARG P 44 0.978 -2.560 8.238 1.00 0.00 C ATOM 749 CD ARG P 44 -0.138 -3.541 8.626 1.00 0.00 C ATOM 750 NE ARG P 44 0.140 -4.895 8.117 1.00 0.00 N ATOM 751 CZ ARG P 44 -0.391 -6.031 8.531 1.00 0.00 C ATOM 752 NH1 ARG P 44 -1.239 -6.112 9.512 1.00 0.00 N ATOM 753 NH2 ARG P 44 -0.079 -7.151 7.958 1.00 0.00 N ATOM 0 H ARG P 44 0.113 1.247 8.845 1.00 0.00 H new ATOM 0 HA ARG P 44 2.504 -0.313 9.026 1.00 0.00 H new ATOM 0 HB2 ARG P 44 0.246 -1.090 9.625 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.302 -0.853 7.978 1.00 0.00 H new ATOM 0 HG2 ARG P 44 1.188 -2.640 7.171 1.00 0.00 H new ATOM 0 HG3 ARG P 44 1.898 -2.817 8.764 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -0.238 -3.571 9.711 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -1.090 -3.189 8.228 1.00 0.00 H new ATOM 0 HE ARG P 44 0.819 -4.963 7.359 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -1.528 -5.268 10.007 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -1.616 -7.019 9.787 1.00 0.00 H new ATOM 0 HH21 ARG P 44 0.582 -7.160 7.181 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -0.494 -8.024 8.284 1.00 0.00 H new ATOM 767 N VAL P 45 1.598 0.550 5.997 1.00 0.00 N ATOM 768 CA VAL P 45 2.079 0.758 4.617 1.00 0.00 C ATOM 769 C VAL P 45 3.323 1.658 4.569 1.00 0.00 C ATOM 770 O VAL P 45 4.293 1.335 3.882 1.00 0.00 O ATOM 771 CB VAL P 45 0.920 1.320 3.770 1.00 0.00 C ATOM 772 CG1 VAL P 45 1.356 1.962 2.456 1.00 0.00 C ATOM 773 CG2 VAL P 45 -0.074 0.199 3.448 1.00 0.00 C ATOM 0 H VAL P 45 0.681 0.964 6.161 1.00 0.00 H new ATOM 0 HA VAL P 45 2.395 -0.198 4.199 1.00 0.00 H new ATOM 0 HB VAL P 45 0.468 2.105 4.376 1.00 0.00 H new ATOM 0 HG11 VAL P 45 0.480 2.331 1.923 1.00 0.00 H new ATOM 0 HG12 VAL P 45 2.031 2.792 2.663 1.00 0.00 H new ATOM 0 HG13 VAL P 45 1.869 1.222 1.842 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -0.892 0.599 2.849 1.00 0.00 H new ATOM 0 HG22 VAL P 45 0.433 -0.588 2.890 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -0.471 -0.213 4.376 1.00 0.00 H new ATOM 783 N ARG P 46 3.348 2.753 5.338 1.00 0.00 N ATOM 784 CA ARG P 46 4.507 3.662 5.458 1.00 0.00 C ATOM 785 C ARG P 46 5.739 2.943 6.022 1.00 0.00 C ATOM 786 O ARG P 46 6.838 3.136 5.503 1.00 0.00 O ATOM 787 CB ARG P 46 4.104 4.892 6.299 1.00 0.00 C ATOM 788 CG ARG P 46 3.244 5.875 5.485 1.00 0.00 C ATOM 789 CD ARG P 46 2.516 6.898 6.368 1.00 0.00 C ATOM 790 NE ARG P 46 1.588 7.723 5.567 1.00 0.00 N ATOM 791 CZ ARG P 46 0.530 8.388 6.003 1.00 0.00 C ATOM 792 NH1 ARG P 46 0.241 8.504 7.265 1.00 0.00 N ATOM 793 NH2 ARG P 46 -0.276 8.951 5.158 1.00 0.00 N ATOM 0 H ARG P 46 2.552 3.042 5.907 1.00 0.00 H new ATOM 0 HA ARG P 46 4.796 4.005 4.465 1.00 0.00 H new ATOM 0 HB2 ARG P 46 3.551 4.566 7.180 1.00 0.00 H new ATOM 0 HB3 ARG P 46 5.000 5.400 6.655 1.00 0.00 H new ATOM 0 HG2 ARG P 46 3.878 6.402 4.773 1.00 0.00 H new ATOM 0 HG3 ARG P 46 2.511 5.315 4.905 1.00 0.00 H new ATOM 0 HD2 ARG P 46 1.964 6.380 7.152 1.00 0.00 H new ATOM 0 HD3 ARG P 46 3.244 7.540 6.863 1.00 0.00 H new ATOM 0 HE ARG P 46 1.784 7.787 4.568 1.00 0.00 H new ATOM 0 HH11 ARG P 46 0.841 8.072 7.967 1.00 0.00 H new ATOM 0 HH12 ARG P 46 -0.586 9.027 7.553 1.00 0.00 H new ATOM 0 HH21 ARG P 46 -0.095 8.882 4.157 1.00 0.00 H new ATOM 0 HH22 ARG P 46 -1.091 9.463 5.495 1.00 0.00 H new ATOM 807 N VAL P 47 5.552 2.052 7.000 1.00 0.00 N ATOM 808 CA VAL P 47 6.603 1.147 7.504 1.00 0.00 C ATOM 809 C VAL P 47 6.993 0.086 6.465 1.00 0.00 C ATOM 810 O VAL P 47 8.181 -0.204 6.329 1.00 0.00 O ATOM 811 CB VAL P 47 6.180 0.508 8.845 1.00 0.00 C ATOM 812 CG1 VAL P 47 7.145 -0.585 9.328 1.00 0.00 C ATOM 813 CG2 VAL P 47 6.127 1.578 9.946 1.00 0.00 C ATOM 0 H VAL P 47 4.657 1.933 7.474 1.00 0.00 H new ATOM 0 HA VAL P 47 7.495 1.746 7.687 1.00 0.00 H new ATOM 0 HB VAL P 47 5.204 0.059 8.662 1.00 0.00 H new ATOM 0 HG11 VAL P 47 6.789 -0.992 10.275 1.00 0.00 H new ATOM 0 HG12 VAL P 47 7.193 -1.382 8.586 1.00 0.00 H new ATOM 0 HG13 VAL P 47 8.138 -0.158 9.467 1.00 0.00 H new ATOM 0 HG21 VAL P 47 5.828 1.117 10.887 1.00 0.00 H new ATOM 0 HG22 VAL P 47 7.112 2.031 10.061 1.00 0.00 H new ATOM 0 HG23 VAL P 47 5.404 2.346 9.672 1.00 0.00 H new ATOM 823 N TRP P 48 6.051 -0.457 5.684 1.00 0.00 N ATOM 824 CA TRP P 48 6.347 -1.471 4.661 1.00 0.00 C ATOM 825 C TRP P 48 7.336 -0.966 3.602 1.00 0.00 C ATOM 826 O TRP P 48 8.313 -1.655 3.308 1.00 0.00 O ATOM 827 CB TRP P 48 5.060 -1.985 3.999 1.00 0.00 C ATOM 828 CG TRP P 48 5.275 -3.177 3.114 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.101 -4.464 3.491 1.00 0.00 C ATOM 830 CD2 TRP P 48 5.765 -3.231 1.733 1.00 0.00 C ATOM 831 NE1 TRP P 48 5.451 -5.304 2.455 1.00 0.00 N ATOM 832 CE2 TRP P 48 5.885 -4.603 1.352 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.137 -2.268 0.765 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.364 -5.001 0.096 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.635 -2.657 -0.495 1.00 0.00 C ATOM 836 CH2 TRP P 48 6.753 -4.018 -0.828 1.00 0.00 C ATOM 0 H TRP P 48 5.064 -0.207 5.742 1.00 0.00 H new ATOM 0 HA TRP P 48 6.827 -2.302 5.178 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.340 -2.245 4.776 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.618 -1.181 3.411 1.00 0.00 H new ATOM 0 HD1 TRP P 48 4.742 -4.785 4.458 1.00 0.00 H new ATOM 0 HE1 TRP P 48 5.395 -6.321 2.500 1.00 0.00 H new ATOM 0 HE3 TRP P 48 6.038 -1.218 0.996 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 6.433 -6.049 -0.157 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 6.928 -1.903 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.142 -4.307 -1.793 1.00 0.00 H new ATOM 847 N PHE P 49 7.156 0.252 3.074 1.00 0.00 N ATOM 848 CA PHE P 49 8.090 0.820 2.089 1.00 0.00 C ATOM 849 C PHE P 49 9.495 1.052 2.673 1.00 0.00 C ATOM 850 O PHE P 49 10.493 0.793 1.996 1.00 0.00 O ATOM 851 CB PHE P 49 7.517 2.117 1.499 1.00 0.00 C ATOM 852 CG PHE P 49 6.283 1.937 0.630 1.00 0.00 C ATOM 853 CD1 PHE P 49 6.350 1.162 -0.545 1.00 0.00 C ATOM 854 CD2 PHE P 49 5.074 2.567 0.974 1.00 0.00 C ATOM 855 CE1 PHE P 49 5.217 1.021 -1.369 1.00 0.00 C ATOM 856 CE2 PHE P 49 3.945 2.434 0.144 1.00 0.00 C ATOM 857 CZ PHE P 49 4.018 1.665 -1.027 1.00 0.00 C ATOM 0 H PHE P 49 6.374 0.863 3.311 1.00 0.00 H new ATOM 0 HA PHE P 49 8.204 0.088 1.290 1.00 0.00 H new ATOM 0 HB2 PHE P 49 7.271 2.793 2.318 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.292 2.603 0.907 1.00 0.00 H new ATOM 0 HD1 PHE P 49 7.275 0.674 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE P 49 5.011 3.155 1.878 1.00 0.00 H new ATOM 0 HE1 PHE P 49 5.271 0.418 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE P 49 3.020 2.925 0.409 1.00 0.00 H new ATOM 0 HZ PHE P 49 3.152 1.569 -1.665 1.00 0.00 H new ATOM 867 N LYS P 50 9.595 1.459 3.947 1.00 0.00 N ATOM 868 CA LYS P 50 10.877 1.584 4.672 1.00 0.00 C ATOM 869 C LYS P 50 11.547 0.219 4.881 1.00 0.00 C ATOM 870 O LYS P 50 12.754 0.089 4.682 1.00 0.00 O ATOM 871 CB LYS P 50 10.650 2.306 6.013 1.00 0.00 C ATOM 872 CG LYS P 50 10.256 3.782 5.828 1.00 0.00 C ATOM 873 CD LYS P 50 9.779 4.444 7.133 1.00 0.00 C ATOM 874 CE LYS P 50 10.818 4.466 8.267 1.00 0.00 C ATOM 875 NZ LYS P 50 11.964 5.367 7.970 1.00 0.00 N ATOM 0 H LYS P 50 8.784 1.714 4.511 1.00 0.00 H new ATOM 0 HA LYS P 50 11.558 2.179 4.064 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.868 1.792 6.571 1.00 0.00 H new ATOM 0 HB3 LYS P 50 11.559 2.248 6.612 1.00 0.00 H new ATOM 0 HG2 LYS P 50 11.111 4.335 5.438 1.00 0.00 H new ATOM 0 HG3 LYS P 50 9.465 3.851 5.082 1.00 0.00 H new ATOM 0 HD2 LYS P 50 9.480 5.469 6.915 1.00 0.00 H new ATOM 0 HD3 LYS P 50 8.890 3.920 7.485 1.00 0.00 H new ATOM 0 HE2 LYS P 50 10.337 4.787 9.191 1.00 0.00 H new ATOM 0 HE3 LYS P 50 11.189 3.455 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 12.636 5.347 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 12.442 5.047 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 11.616 6.338 7.835 1.00 0.00 H new ATOM 889 N ASN P 51 10.765 -0.812 5.205 1.00 0.00 N ATOM 890 CA ASN P 51 11.236 -2.193 5.352 1.00 0.00 C ATOM 891 C ASN P 51 11.732 -2.776 4.014 1.00 0.00 C ATOM 892 O ASN P 51 12.809 -3.375 3.963 1.00 0.00 O ATOM 893 CB ASN P 51 10.098 -3.023 5.972 1.00 0.00 C ATOM 894 CG ASN P 51 10.569 -4.398 6.409 1.00 0.00 C ATOM 895 OD1 ASN P 51 10.561 -5.357 5.652 1.00 0.00 O ATOM 896 ND2 ASN P 51 11.008 -4.533 7.640 1.00 0.00 N ATOM 0 H ASN P 51 9.765 -0.710 5.377 1.00 0.00 H new ATOM 0 HA ASN P 51 12.101 -2.221 6.014 1.00 0.00 H new ATOM 0 HB2 ASN P 51 9.687 -2.491 6.830 1.00 0.00 H new ATOM 0 HB3 ASN P 51 9.291 -3.130 5.247 1.00 0.00 H new ATOM 0 HD21 ASN P 51 11.343 -5.440 7.965 1.00 0.00 H new ATOM 0 HD22 ASN P 51 11.014 -3.731 8.270 1.00 0.00 H new ATOM 903 N ARG P 52 11.013 -2.518 2.910 1.00 0.00 N ATOM 904 CA ARG P 52 11.425 -2.867 1.538 1.00 0.00 C ATOM 905 C ARG P 52 12.744 -2.175 1.180 1.00 0.00 C ATOM 906 O ARG P 52 13.672 -2.846 0.732 1.00 0.00 O ATOM 907 CB ARG P 52 10.269 -2.539 0.563 1.00 0.00 C ATOM 908 CG ARG P 52 10.330 -3.221 -0.819 1.00 0.00 C ATOM 909 CD ARG P 52 11.484 -2.749 -1.709 1.00 0.00 C ATOM 910 NE ARG P 52 11.371 -3.264 -3.084 1.00 0.00 N ATOM 911 CZ ARG P 52 12.219 -3.038 -4.067 1.00 0.00 C ATOM 912 NH1 ARG P 52 13.256 -2.260 -3.924 1.00 0.00 N ATOM 913 NH2 ARG P 52 12.050 -3.590 -5.227 1.00 0.00 N ATOM 0 H ARG P 52 10.107 -2.050 2.946 1.00 0.00 H new ATOM 0 HA ARG P 52 11.621 -3.936 1.459 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.329 -2.816 1.040 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.244 -1.460 0.412 1.00 0.00 H new ATOM 0 HG2 ARG P 52 10.416 -4.298 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG P 52 9.389 -3.043 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG P 52 11.502 -1.659 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG P 52 12.430 -3.075 -1.277 1.00 0.00 H new ATOM 0 HE ARG P 52 10.563 -3.849 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG P 52 13.432 -1.804 -3.029 1.00 0.00 H new ATOM 0 HH12 ARG P 52 13.891 -2.108 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG P 52 11.254 -4.207 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG P 52 12.713 -3.407 -5.980 1.00 0.00 H new ATOM 927 N ARG P 53 12.882 -0.867 1.448 1.00 0.00 N ATOM 928 CA ARG P 53 14.137 -0.121 1.223 1.00 0.00 C ATOM 929 C ARG P 53 15.308 -0.713 2.014 1.00 0.00 C ATOM 930 O ARG P 53 16.385 -0.888 1.452 1.00 0.00 O ATOM 931 CB ARG P 53 13.944 1.371 1.554 1.00 0.00 C ATOM 932 CG ARG P 53 15.048 2.225 0.907 1.00 0.00 C ATOM 933 CD ARG P 53 15.070 3.651 1.469 1.00 0.00 C ATOM 934 NE ARG P 53 15.876 4.538 0.608 1.00 0.00 N ATOM 935 CZ ARG P 53 16.431 5.690 0.931 1.00 0.00 C ATOM 936 NH1 ARG P 53 16.375 6.182 2.137 1.00 0.00 N ATOM 937 NH2 ARG P 53 17.059 6.382 0.025 1.00 0.00 N ATOM 0 H ARG P 53 12.128 -0.294 1.827 1.00 0.00 H new ATOM 0 HA ARG P 53 14.389 -0.213 0.167 1.00 0.00 H new ATOM 0 HB2 ARG P 53 12.968 1.703 1.200 1.00 0.00 H new ATOM 0 HB3 ARG P 53 13.956 1.512 2.635 1.00 0.00 H new ATOM 0 HG2 ARG P 53 16.017 1.754 1.074 1.00 0.00 H new ATOM 0 HG3 ARG P 53 14.893 2.262 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG P 53 14.052 4.034 1.543 1.00 0.00 H new ATOM 0 HD3 ARG P 53 15.482 3.643 2.478 1.00 0.00 H new ATOM 0 HE ARG P 53 16.021 4.223 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG P 53 15.888 5.672 2.874 1.00 0.00 H new ATOM 0 HH12 ARG P 53 16.818 7.077 2.344 1.00 0.00 H new ATOM 0 HH21 ARG P 53 17.121 6.033 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG P 53 17.489 7.273 0.271 1.00 0.00 H new ATOM 951 N ALA P 54 15.097 -1.088 3.278 1.00 0.00 N ATOM 952 CA ALA P 54 16.121 -1.731 4.104 1.00 0.00 C ATOM 953 C ALA P 54 16.552 -3.100 3.539 1.00 0.00 C ATOM 954 O ALA P 54 17.750 -3.343 3.384 1.00 0.00 O ATOM 955 CB ALA P 54 15.607 -1.829 5.546 1.00 0.00 C ATOM 0 H ALA P 54 14.208 -0.954 3.759 1.00 0.00 H new ATOM 0 HA ALA P 54 17.023 -1.119 4.092 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.362 -2.307 6.170 1.00 0.00 H new ATOM 0 HB2 ALA P 54 15.401 -0.829 5.927 1.00 0.00 H new ATOM 0 HB3 ALA P 54 14.692 -2.421 5.567 1.00 0.00 H new ATOM 961 N LYS P 55 15.601 -3.958 3.139 1.00 0.00 N ATOM 962 CA LYS P 55 15.885 -5.251 2.483 1.00 0.00 C ATOM 963 C LYS P 55 16.614 -5.096 1.141 1.00 0.00 C ATOM 964 O LYS P 55 17.458 -5.923 0.801 1.00 0.00 O ATOM 965 CB LYS P 55 14.576 -6.035 2.284 1.00 0.00 C ATOM 966 CG LYS P 55 14.043 -6.627 3.597 1.00 0.00 C ATOM 967 CD LYS P 55 12.719 -7.365 3.350 1.00 0.00 C ATOM 968 CE LYS P 55 12.148 -8.006 4.623 1.00 0.00 C ATOM 969 NZ LYS P 55 12.956 -9.164 5.085 1.00 0.00 N ATOM 0 H LYS P 55 14.605 -3.776 3.261 1.00 0.00 H new ATOM 0 HA LYS P 55 16.555 -5.802 3.143 1.00 0.00 H new ATOM 0 HB2 LYS P 55 13.822 -5.375 1.854 1.00 0.00 H new ATOM 0 HB3 LYS P 55 14.743 -6.839 1.567 1.00 0.00 H new ATOM 0 HG2 LYS P 55 14.777 -7.314 4.019 1.00 0.00 H new ATOM 0 HG3 LYS P 55 13.893 -5.832 4.328 1.00 0.00 H new ATOM 0 HD2 LYS P 55 11.989 -6.666 2.942 1.00 0.00 H new ATOM 0 HD3 LYS P 55 12.874 -8.138 2.598 1.00 0.00 H new ATOM 0 HE2 LYS P 55 12.104 -7.258 5.415 1.00 0.00 H new ATOM 0 HE3 LYS P 55 11.125 -8.332 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 12.417 -9.704 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 13.178 -9.778 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 13.840 -8.822 5.512 1.00 0.00 H new ATOM 983 N TRP P 56 16.313 -4.037 0.389 1.00 0.00 N ATOM 984 CA TRP P 56 16.907 -3.755 -0.923 1.00 0.00 C ATOM 985 C TRP P 56 18.307 -3.114 -0.850 1.00 0.00 C ATOM 986 O TRP P 56 19.182 -3.471 -1.644 1.00 0.00 O ATOM 987 CB TRP P 56 15.930 -2.862 -1.704 1.00 0.00 C ATOM 988 CG TRP P 56 16.404 -2.402 -3.051 1.00 0.00 C ATOM 989 CD1 TRP P 56 16.621 -3.202 -4.120 1.00 0.00 C ATOM 990 CD2 TRP P 56 16.768 -1.054 -3.484 1.00 0.00 C ATOM 991 NE1 TRP P 56 17.108 -2.451 -5.173 1.00 0.00 N ATOM 992 CE2 TRP P 56 17.246 -1.124 -4.827 1.00 0.00 C ATOM 993 CE3 TRP P 56 16.753 0.223 -2.879 1.00 0.00 C ATOM 994 CZ2 TRP P 56 17.714 0.003 -5.521 1.00 0.00 C ATOM 995 CZ3 TRP P 56 17.230 1.360 -3.562 1.00 0.00 C ATOM 996 CH2 TRP P 56 17.719 1.252 -4.876 1.00 0.00 C ATOM 0 H TRP P 56 15.634 -3.334 0.680 1.00 0.00 H new ATOM 0 HA TRP P 56 17.063 -4.705 -1.434 1.00 0.00 H new ATOM 0 HB2 TRP P 56 14.995 -3.406 -1.835 1.00 0.00 H new ATOM 0 HB3 TRP P 56 15.706 -1.984 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP P 56 16.441 -4.267 -4.147 1.00 0.00 H new ATOM 0 HE1 TRP P 56 17.337 -2.831 -6.091 1.00 0.00 H new ATOM 0 HE3 TRP P 56 16.369 0.330 -1.875 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 18.066 -0.088 -6.538 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 17.220 2.322 -3.072 1.00 0.00 H new ATOM 0 HH2 TRP P 56 18.097 2.125 -5.387 1.00 0.00 H new ATOM 1007 N ARG P 57 18.534 -2.191 0.098 1.00 0.00 N ATOM 1008 CA ARG P 57 19.726 -1.316 0.137 1.00 0.00 C ATOM 1009 C ARG P 57 20.679 -1.519 1.323 1.00 0.00 C ATOM 1010 O ARG P 57 21.850 -1.154 1.205 1.00 0.00 O ATOM 1011 CB ARG P 57 19.225 0.144 0.069 1.00 0.00 C ATOM 1012 CG ARG P 57 20.223 1.168 -0.500 1.00 0.00 C ATOM 1013 CD ARG P 57 20.563 0.894 -1.972 1.00 0.00 C ATOM 1014 NE ARG P 57 21.308 2.014 -2.576 1.00 0.00 N ATOM 1015 CZ ARG P 57 21.552 2.191 -3.863 1.00 0.00 C ATOM 1016 NH1 ARG P 57 21.127 1.359 -4.772 1.00 0.00 N ATOM 1017 NH2 ARG P 57 22.238 3.222 -4.268 1.00 0.00 N ATOM 0 H ARG P 57 17.889 -2.026 0.871 1.00 0.00 H new ATOM 0 HA ARG P 57 20.346 -1.585 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG P 57 18.320 0.170 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG P 57 18.943 0.459 1.074 1.00 0.00 H new ATOM 0 HG2 ARG P 57 19.805 2.170 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG P 57 21.138 1.148 0.092 1.00 0.00 H new ATOM 0 HD2 ARG P 57 21.155 -0.018 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG P 57 19.644 0.724 -2.532 1.00 0.00 H new ATOM 0 HE ARG P 57 21.671 2.722 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG P 57 20.586 0.538 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG P 57 21.335 1.529 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG P 57 22.590 3.898 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG P 57 22.423 3.353 -5.263 1.00 0.00 H new ATOM 1031 N LYS P 58 20.211 -2.069 2.453 1.00 0.00 N ATOM 1032 CA LYS P 58 20.964 -2.120 3.730 1.00 0.00 C ATOM 1033 C LYS P 58 21.271 -3.535 4.234 1.00 0.00 C ATOM 1034 O LYS P 58 22.374 -3.773 4.733 1.00 0.00 O ATOM 1035 CB LYS P 58 20.208 -1.338 4.818 1.00 0.00 C ATOM 1036 CG LYS P 58 20.017 0.149 4.477 1.00 0.00 C ATOM 1037 CD LYS P 58 19.388 0.904 5.656 1.00 0.00 C ATOM 1038 CE LYS P 58 19.240 2.392 5.316 1.00 0.00 C ATOM 1039 NZ LYS P 58 18.696 3.163 6.465 1.00 0.00 N ATOM 0 H LYS P 58 19.288 -2.498 2.514 1.00 0.00 H new ATOM 0 HA LYS P 58 21.929 -1.660 3.518 1.00 0.00 H new ATOM 0 HB2 LYS P 58 19.231 -1.796 4.973 1.00 0.00 H new ATOM 0 HB3 LYS P 58 20.752 -1.421 5.759 1.00 0.00 H new ATOM 0 HG2 LYS P 58 20.979 0.595 4.226 1.00 0.00 H new ATOM 0 HG3 LYS P 58 19.381 0.246 3.597 1.00 0.00 H new ATOM 0 HD2 LYS P 58 18.412 0.479 5.890 1.00 0.00 H new ATOM 0 HD3 LYS P 58 20.008 0.787 6.544 1.00 0.00 H new ATOM 0 HE2 LYS P 58 20.210 2.799 5.030 1.00 0.00 H new ATOM 0 HE3 LYS P 58 18.581 2.506 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 18.609 4.165 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 17.760 2.790 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 19.338 3.074 7.278 1.00 0.00 H new ATOM 1053 N ARG P 59 20.302 -4.452 4.142 1.00 0.00 N ATOM 1054 CA ARG P 59 20.378 -5.830 4.661 1.00 0.00 C ATOM 1055 C ARG P 59 19.684 -6.807 3.707 1.00 0.00 C ATOM 1056 O ARG P 59 18.530 -7.186 3.903 1.00 0.00 O ATOM 1057 CB ARG P 59 19.815 -5.858 6.096 1.00 0.00 C ATOM 1058 CG ARG P 59 20.068 -7.207 6.794 1.00 0.00 C ATOM 1059 CD ARG P 59 19.554 -7.220 8.240 1.00 0.00 C ATOM 1060 NE ARG P 59 20.346 -6.337 9.123 1.00 0.00 N ATOM 1061 CZ ARG P 59 20.114 -6.087 10.400 1.00 0.00 C ATOM 1062 NH1 ARG P 59 19.108 -6.614 11.040 1.00 0.00 N ATOM 1063 NH2 ARG P 59 20.901 -5.293 11.070 1.00 0.00 N ATOM 0 H ARG P 59 19.410 -4.252 3.689 1.00 0.00 H new ATOM 0 HA ARG P 59 21.415 -6.162 4.714 1.00 0.00 H new ATOM 0 HB2 ARG P 59 20.271 -5.058 6.679 1.00 0.00 H new ATOM 0 HB3 ARG P 59 18.743 -5.661 6.068 1.00 0.00 H new ATOM 0 HG2 ARG P 59 19.580 -8.002 6.230 1.00 0.00 H new ATOM 0 HG3 ARG P 59 21.137 -7.422 6.789 1.00 0.00 H new ATOM 0 HD2 ARG P 59 18.511 -6.905 8.256 1.00 0.00 H new ATOM 0 HD3 ARG P 59 19.585 -8.239 8.626 1.00 0.00 H new ATOM 0 HE ARG P 59 21.153 -5.874 8.704 1.00 0.00 H new ATOM 0 HH11 ARG P 59 18.468 -7.243 10.555 1.00 0.00 H new ATOM 0 HH12 ARG P 59 18.961 -6.398 12.026 1.00 0.00 H new ATOM 0 HH21 ARG P 59 21.702 -4.860 10.609 1.00 0.00 H new ATOM 0 HH22 ARG P 59 20.716 -5.104 12.055 1.00 0.00 H new ATOM 1077 N GLU P 60 20.405 -7.191 2.659 1.00 0.00 N ATOM 1078 CA GLU P 60 19.962 -8.157 1.642 1.00 0.00 C ATOM 1079 C GLU P 60 19.505 -9.496 2.256 1.00 0.00 C ATOM 1080 O GLU P 60 20.102 -10.001 3.212 1.00 0.00 O ATOM 1081 CB GLU P 60 21.064 -8.411 0.596 1.00 0.00 C ATOM 1082 CG GLU P 60 21.539 -7.156 -0.156 1.00 0.00 C ATOM 1083 CD GLU P 60 22.757 -6.492 0.518 1.00 0.00 C ATOM 1084 OE1 GLU P 60 22.586 -5.797 1.548 1.00 0.00 O ATOM 1085 OE2 GLU P 60 23.898 -6.664 0.022 1.00 0.00 O ATOM 0 H GLU P 60 21.343 -6.832 2.482 1.00 0.00 H new ATOM 0 HA GLU P 60 19.100 -7.706 1.151 1.00 0.00 H new ATOM 0 HB2 GLU P 60 21.921 -8.865 1.094 1.00 0.00 H new ATOM 0 HB3 GLU P 60 20.696 -9.136 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU P 60 21.796 -7.425 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU P 60 20.721 -6.437 -0.211 1.00 0.00 H new ATOM 1092 N GLU P 61 18.436 -10.077 1.704 1.00 0.00 N ATOM 1093 CA GLU P 61 17.795 -11.293 2.226 1.00 0.00 C ATOM 1094 C GLU P 61 18.482 -12.591 1.740 1.00 0.00 C ATOM 1095 O GLU P 61 19.016 -12.643 0.628 1.00 0.00 O ATOM 1096 CB GLU P 61 16.295 -11.242 1.883 1.00 0.00 C ATOM 1097 CG GLU P 61 15.463 -12.299 2.621 1.00 0.00 C ATOM 1098 CD GLU P 61 13.957 -12.017 2.471 1.00 0.00 C ATOM 1099 OE1 GLU P 61 13.421 -11.193 3.252 1.00 0.00 O ATOM 1100 OE2 GLU P 61 13.302 -12.615 1.583 1.00 0.00 O ATOM 0 H GLU P 61 17.982 -9.711 0.867 1.00 0.00 H new ATOM 0 HA GLU P 61 17.910 -11.319 3.310 1.00 0.00 H new ATOM 0 HB2 GLU P 61 15.908 -10.252 2.125 1.00 0.00 H new ATOM 0 HB3 GLU P 61 16.171 -11.378 0.809 1.00 0.00 H new ATOM 0 HG2 GLU P 61 15.693 -13.289 2.226 1.00 0.00 H new ATOM 0 HG3 GLU P 61 15.732 -12.307 3.677 1.00 0.00 H new ATOM 1107 N PHE P 62 18.426 -13.643 2.571 1.00 0.00 N ATOM 1108 CA PHE P 62 19.091 -14.949 2.405 1.00 0.00 C ATOM 1109 C PHE P 62 20.638 -14.898 2.401 1.00 0.00 C ATOM 1110 O PHE P 62 21.260 -13.835 2.312 1.00 0.00 O ATOM 1111 CB PHE P 62 18.474 -15.712 1.213 1.00 0.00 C ATOM 1112 CG PHE P 62 18.797 -17.196 1.152 1.00 0.00 C ATOM 1113 CD1 PHE P 62 18.360 -18.057 2.179 1.00 0.00 C ATOM 1114 CD2 PHE P 62 19.529 -17.723 0.069 1.00 0.00 C ATOM 1115 CE1 PHE P 62 18.661 -19.430 2.128 1.00 0.00 C ATOM 1116 CE2 PHE P 62 19.824 -19.096 0.016 1.00 0.00 C ATOM 1117 CZ PHE P 62 19.391 -19.951 1.045 1.00 0.00 C ATOM 0 H PHE P 62 17.881 -13.604 3.432 1.00 0.00 H new ATOM 0 HA PHE P 62 18.888 -15.527 3.307 1.00 0.00 H new ATOM 0 HB2 PHE P 62 17.391 -15.594 1.249 1.00 0.00 H new ATOM 0 HB3 PHE P 62 18.815 -15.245 0.289 1.00 0.00 H new ATOM 0 HD1 PHE P 62 17.792 -17.661 3.008 1.00 0.00 H new ATOM 0 HD2 PHE P 62 19.864 -17.070 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE P 62 18.331 -20.085 2.921 1.00 0.00 H new ATOM 0 HE2 PHE P 62 20.384 -19.495 -0.817 1.00 0.00 H new ATOM 0 HZ PHE P 62 19.619 -21.006 1.004 1.00 0.00 H new ATOM 1127 N ILE P 63 21.279 -16.064 2.560 1.00 0.00 N ATOM 1128 CA ILE P 63 22.735 -16.199 2.776 1.00 0.00 C ATOM 1129 C ILE P 63 23.589 -15.969 1.514 1.00 0.00 C ATOM 1130 O ILE P 63 24.805 -15.786 1.620 1.00 0.00 O ATOM 1131 CB ILE P 63 23.069 -17.561 3.433 1.00 0.00 C ATOM 1132 CG1 ILE P 63 22.683 -18.757 2.532 1.00 0.00 C ATOM 1133 CG2 ILE P 63 22.407 -17.651 4.821 1.00 0.00 C ATOM 1134 CD1 ILE P 63 23.139 -20.118 3.070 1.00 0.00 C ATOM 0 H ILE P 63 20.794 -16.961 2.542 1.00 0.00 H new ATOM 0 HA ILE P 63 23.006 -15.393 3.458 1.00 0.00 H new ATOM 0 HB ILE P 63 24.150 -17.619 3.561 1.00 0.00 H new ATOM 0 HG12 ILE P 63 21.600 -18.771 2.409 1.00 0.00 H new ATOM 0 HG13 ILE P 63 23.114 -18.607 1.542 1.00 0.00 H new ATOM 0 HG21 ILE P 63 22.646 -18.612 5.277 1.00 0.00 H new ATOM 0 HG22 ILE P 63 22.779 -16.846 5.455 1.00 0.00 H new ATOM 0 HG23 ILE P 63 21.326 -17.559 4.715 1.00 0.00 H new ATOM 0 HD11 ILE P 63 22.830 -20.904 2.381 1.00 0.00 H new ATOM 0 HD12 ILE P 63 24.225 -20.126 3.166 1.00 0.00 H new ATOM 0 HD13 ILE P 63 22.687 -20.293 4.046 1.00 0.00 H new ATOM 1146 N VAL P 64 22.974 -15.971 0.327 1.00 0.00 N ATOM 1147 CA VAL P 64 23.621 -15.727 -0.974 1.00 0.00 C ATOM 1148 C VAL P 64 22.647 -15.042 -1.946 1.00 0.00 C ATOM 1149 O VAL P 64 21.440 -15.296 -1.907 1.00 0.00 O ATOM 1150 CB VAL P 64 24.216 -17.039 -1.536 1.00 0.00 C ATOM 1151 CG1 VAL P 64 23.162 -18.101 -1.876 1.00 0.00 C ATOM 1152 CG2 VAL P 64 25.099 -16.795 -2.762 1.00 0.00 C ATOM 0 H VAL P 64 21.974 -16.149 0.239 1.00 0.00 H new ATOM 0 HA VAL P 64 24.455 -15.038 -0.837 1.00 0.00 H new ATOM 0 HB VAL P 64 24.827 -17.429 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL P 64 23.655 -18.992 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL P 64 22.602 -18.359 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL P 64 22.479 -17.708 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL P 64 25.494 -17.745 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL P 64 24.507 -16.327 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL P 64 25.925 -16.138 -2.490 1.00 0.00 H new ATOM 1162 N THR P 65 23.161 -14.154 -2.800 1.00 0.00 N ATOM 1163 CA THR P 65 22.369 -13.241 -3.658 1.00 0.00 C ATOM 1164 C THR P 65 22.492 -13.511 -5.169 1.00 0.00 C ATOM 1165 O THR P 65 21.875 -12.805 -5.971 1.00 0.00 O ATOM 1166 CB THR P 65 22.731 -11.776 -3.350 1.00 0.00 C ATOM 1167 OG1 THR P 65 24.130 -11.585 -3.457 1.00 0.00 O ATOM 1168 CG2 THR P 65 22.313 -11.367 -1.935 1.00 0.00 C ATOM 0 H THR P 65 24.167 -14.039 -2.924 1.00 0.00 H new ATOM 0 HA THR P 65 21.326 -13.437 -3.409 1.00 0.00 H new ATOM 0 HB THR P 65 22.195 -11.163 -4.074 1.00 0.00 H new ATOM 0 HG1 THR P 65 24.348 -10.650 -3.261 1.00 0.00 H new ATOM 0 HG21 THR P 65 22.588 -10.327 -1.761 1.00 0.00 H new ATOM 0 HG22 THR P 65 21.234 -11.481 -1.827 1.00 0.00 H new ATOM 0 HG23 THR P 65 22.819 -12.002 -1.208 1.00 0.00 H new ATOM 1176 N ASP P 66 23.255 -14.536 -5.575 1.00 0.00 N ATOM 1177 CA ASP P 66 23.515 -14.928 -6.976 1.00 0.00 C ATOM 1178 C ASP P 66 23.479 -16.456 -7.195 1.00 0.00 C ATOM 1179 O ASP P 66 24.132 -17.198 -6.426 1.00 0.00 O ATOM 1180 CB ASP P 66 24.865 -14.334 -7.430 1.00 0.00 C ATOM 1181 CG ASP P 66 25.205 -14.657 -8.902 1.00 0.00 C ATOM 1182 OD1 ASP P 66 24.580 -14.064 -9.817 1.00 0.00 O ATOM 1183 OD2 ASP P 66 26.122 -15.480 -9.154 1.00 0.00 O ATOM 1184 OXT ASP P 66 22.776 -16.904 -8.130 1.00 0.00 O ATOM 0 H ASP P 66 23.731 -15.144 -4.909 1.00 0.00 H new ATOM 0 HA ASP P 66 22.709 -14.523 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP P 66 24.842 -13.252 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP P 66 25.658 -14.717 -6.788 1.00 0.00 H new TER 1189 ASP P 66