USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 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 Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : P 4 GLN : amide:sc= 0.257 K(o=0.26,f=-4.3!) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 7 HIS : no HD1:sc= 0.193 K(o=0.19,f=-2!) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0 USER MOD Single : P -1 GLY N :NH3+ -109:sc= 0.0173 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 12 GLN : amide:sc= 1.08 K(o=1.1,f=-3.7!) USER MOD Single : P 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 19 THR OG1 : rot 74:sc= 1.25 USER MOD Single : P 21 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : P 23 ASN : amide:sc= 0.631 K(o=0.63,f=-4.8!) USER MOD Single : P 25 TYR OH : rot 180:sc= 0.491 USER MOD Single : P 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 29 SER OG : rot 180:sc= 0.00299 USER MOD Single : P 30 THR OG1 : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -72:sc= 1.01 USER MOD Single : P 39 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.06) 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= 0.957 K(o=0.96,f=-2.1!) USER MOD Single : P 55 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.23) 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 10.395 -33.129 17.613 1.00 0.00 N ATOM 2 CA GLY P -1 11.111 -31.834 17.600 1.00 0.00 C ATOM 3 C GLY P -1 10.143 -30.661 17.559 1.00 0.00 C ATOM 4 O GLY P -1 9.084 -30.746 16.934 1.00 0.00 O ATOM 0 H1 GLY P -1 10.489 -33.569 18.551 1.00 0.00 H new ATOM 0 H2 GLY P -1 9.388 -32.971 17.404 1.00 0.00 H new ATOM 0 H3 GLY P -1 10.803 -33.759 16.893 1.00 0.00 H new ATOM 0 HA2 GLY P -1 11.741 -31.756 18.486 1.00 0.00 H new ATOM 0 HA3 GLY P -1 11.772 -31.792 16.735 1.00 0.00 H new ATOM 10 N SER P 0 10.493 -29.554 18.221 1.00 0.00 N ATOM 11 CA SER P 0 9.647 -28.351 18.338 1.00 0.00 C ATOM 12 C SER P 0 9.487 -27.592 17.012 1.00 0.00 C ATOM 13 O SER P 0 10.411 -27.542 16.192 1.00 0.00 O ATOM 14 CB SER P 0 10.215 -27.399 19.400 1.00 0.00 C ATOM 15 OG SER P 0 10.345 -28.066 20.648 1.00 0.00 O ATOM 0 H SER P 0 11.388 -29.462 18.701 1.00 0.00 H new ATOM 0 HA SER P 0 8.659 -28.703 18.633 1.00 0.00 H new ATOM 0 HB2 SER P 0 11.187 -27.024 19.078 1.00 0.00 H new ATOM 0 HB3 SER P 0 9.560 -26.535 19.509 1.00 0.00 H new ATOM 0 HG SER P 0 10.710 -27.446 21.314 1.00 0.00 H new ATOM 21 N GLN P 1 8.329 -26.955 16.813 1.00 0.00 N ATOM 22 CA GLN P 1 8.056 -26.104 15.646 1.00 0.00 C ATOM 23 C GLN P 1 8.861 -24.790 15.693 1.00 0.00 C ATOM 24 O GLN P 1 9.181 -24.274 16.769 1.00 0.00 O ATOM 25 CB GLN P 1 6.547 -25.820 15.521 1.00 0.00 C ATOM 26 CG GLN P 1 5.723 -27.091 15.244 1.00 0.00 C ATOM 27 CD GLN P 1 4.234 -26.820 15.006 1.00 0.00 C ATOM 28 OE1 GLN P 1 3.756 -25.692 14.956 1.00 0.00 O ATOM 29 NE2 GLN P 1 3.433 -27.852 14.843 1.00 0.00 N ATOM 0 H GLN P 1 7.545 -27.015 17.463 1.00 0.00 H new ATOM 0 HA GLN P 1 8.380 -26.650 14.760 1.00 0.00 H new ATOM 0 HB2 GLN P 1 6.192 -25.355 16.441 1.00 0.00 H new ATOM 0 HB3 GLN P 1 6.382 -25.103 14.717 1.00 0.00 H new ATOM 0 HG2 GLN P 1 6.135 -27.597 14.371 1.00 0.00 H new ATOM 0 HG3 GLN P 1 5.829 -27.773 16.088 1.00 0.00 H new ATOM 0 HE21 GLN P 1 3.808 -28.800 14.881 1.00 0.00 H new ATOM 0 HE22 GLN P 1 2.437 -27.704 14.679 1.00 0.00 H new ATOM 38 N ARG P 2 9.175 -24.244 14.508 1.00 0.00 N ATOM 39 CA ARG P 2 9.987 -23.021 14.309 1.00 0.00 C ATOM 40 C ARG P 2 9.382 -22.026 13.300 1.00 0.00 C ATOM 41 O ARG P 2 10.098 -21.249 12.663 1.00 0.00 O ATOM 42 CB ARG P 2 11.470 -23.383 14.056 1.00 0.00 C ATOM 43 CG ARG P 2 11.822 -24.113 12.742 1.00 0.00 C ATOM 44 CD ARG P 2 11.329 -25.565 12.604 1.00 0.00 C ATOM 45 NE ARG P 2 11.719 -26.423 13.744 1.00 0.00 N ATOM 46 CZ ARG P 2 12.880 -27.014 13.959 1.00 0.00 C ATOM 47 NH1 ARG P 2 13.892 -26.905 13.145 1.00 0.00 N ATOM 48 NH2 ARG P 2 13.029 -27.739 15.028 1.00 0.00 N ATOM 0 H ARG P 2 8.862 -24.652 13.627 1.00 0.00 H new ATOM 0 HA ARG P 2 9.963 -22.457 15.241 1.00 0.00 H new ATOM 0 HB2 ARG P 2 12.050 -22.461 14.092 1.00 0.00 H new ATOM 0 HB3 ARG P 2 11.808 -24.005 14.885 1.00 0.00 H new ATOM 0 HG2 ARG P 2 11.415 -23.535 11.912 1.00 0.00 H new ATOM 0 HG3 ARG P 2 12.906 -24.110 12.631 1.00 0.00 H new ATOM 0 HD2 ARG P 2 10.243 -25.566 12.512 1.00 0.00 H new ATOM 0 HD3 ARG P 2 11.728 -25.991 11.683 1.00 0.00 H new ATOM 0 HE ARG P 2 11.002 -26.577 14.452 1.00 0.00 H new ATOM 0 HH11 ARG P 2 13.807 -26.343 12.298 1.00 0.00 H new ATOM 0 HH12 ARG P 2 14.769 -27.381 13.355 1.00 0.00 H new ATOM 0 HH21 ARG P 2 12.256 -27.844 15.685 1.00 0.00 H new ATOM 0 HH22 ARG P 2 13.919 -28.203 15.210 1.00 0.00 H new ATOM 62 N ARG P 3 8.053 -22.064 13.149 1.00 0.00 N ATOM 63 CA ARG P 3 7.249 -21.170 12.289 1.00 0.00 C ATOM 64 C ARG P 3 7.118 -19.759 12.888 1.00 0.00 C ATOM 65 O ARG P 3 7.342 -19.562 14.085 1.00 0.00 O ATOM 66 CB ARG P 3 5.863 -21.802 12.041 1.00 0.00 C ATOM 67 CG ARG P 3 5.942 -23.125 11.259 1.00 0.00 C ATOM 68 CD ARG P 3 4.544 -23.718 11.049 1.00 0.00 C ATOM 69 NE ARG P 3 4.604 -24.979 10.283 1.00 0.00 N ATOM 70 CZ ARG P 3 3.585 -25.768 9.983 1.00 0.00 C ATOM 71 NH1 ARG P 3 2.365 -25.502 10.361 1.00 0.00 N ATOM 72 NH2 ARG P 3 3.775 -26.853 9.288 1.00 0.00 N ATOM 0 H ARG P 3 7.478 -22.747 13.642 1.00 0.00 H new ATOM 0 HA ARG P 3 7.766 -21.056 11.336 1.00 0.00 H new ATOM 0 HB2 ARG P 3 5.373 -21.980 12.998 1.00 0.00 H new ATOM 0 HB3 ARG P 3 5.240 -21.097 11.491 1.00 0.00 H new ATOM 0 HG2 ARG P 3 6.418 -22.954 10.294 1.00 0.00 H new ATOM 0 HG3 ARG P 3 6.566 -23.836 11.801 1.00 0.00 H new ATOM 0 HD2 ARG P 3 4.075 -23.900 12.016 1.00 0.00 H new ATOM 0 HD3 ARG P 3 3.918 -22.999 10.521 1.00 0.00 H new ATOM 0 HE ARG P 3 5.523 -25.271 9.952 1.00 0.00 H new ATOM 0 HH11 ARG P 3 2.172 -24.662 10.907 1.00 0.00 H new ATOM 0 HH12 ARG P 3 1.604 -26.134 10.111 1.00 0.00 H new ATOM 0 HH21 ARG P 3 4.713 -27.098 8.972 1.00 0.00 H new ATOM 0 HH22 ARG P 3 2.986 -27.457 9.060 1.00 0.00 H new ATOM 86 N GLN P 4 6.724 -18.790 12.060 1.00 0.00 N ATOM 87 CA GLN P 4 6.490 -17.388 12.443 1.00 0.00 C ATOM 88 C GLN P 4 5.156 -16.868 11.874 1.00 0.00 C ATOM 89 O GLN P 4 4.741 -17.256 10.777 1.00 0.00 O ATOM 90 CB GLN P 4 7.701 -16.544 11.996 1.00 0.00 C ATOM 91 CG GLN P 4 7.656 -15.065 12.417 1.00 0.00 C ATOM 92 CD GLN P 4 7.553 -14.881 13.931 1.00 0.00 C ATOM 93 OE1 GLN P 4 6.470 -14.848 14.502 1.00 0.00 O ATOM 94 NE2 GLN P 4 8.657 -14.794 14.643 1.00 0.00 N ATOM 0 H GLN P 4 6.552 -18.961 11.069 1.00 0.00 H new ATOM 0 HA GLN P 4 6.398 -17.308 13.526 1.00 0.00 H new ATOM 0 HB2 GLN P 4 8.607 -16.994 12.401 1.00 0.00 H new ATOM 0 HB3 GLN P 4 7.778 -16.594 10.910 1.00 0.00 H new ATOM 0 HG2 GLN P 4 8.553 -14.562 12.055 1.00 0.00 H new ATOM 0 HG3 GLN P 4 6.804 -14.582 11.938 1.00 0.00 H new ATOM 0 HE21 GLN P 4 9.566 -14.820 14.180 1.00 0.00 H new ATOM 0 HE22 GLN P 4 8.604 -14.700 15.657 1.00 0.00 H new ATOM 103 N ARG P 5 4.478 -15.985 12.619 1.00 0.00 N ATOM 104 CA ARG P 5 3.176 -15.393 12.259 1.00 0.00 C ATOM 105 C ARG P 5 3.332 -14.251 11.243 1.00 0.00 C ATOM 106 O ARG P 5 4.199 -13.390 11.398 1.00 0.00 O ATOM 107 CB ARG P 5 2.469 -14.933 13.551 1.00 0.00 C ATOM 108 CG ARG P 5 1.053 -14.349 13.369 1.00 0.00 C ATOM 109 CD ARG P 5 0.029 -15.304 12.735 1.00 0.00 C ATOM 110 NE ARG P 5 -0.178 -16.524 13.543 1.00 0.00 N ATOM 111 CZ ARG P 5 -0.919 -17.569 13.218 1.00 0.00 C ATOM 112 NH1 ARG P 5 -1.582 -17.630 12.097 1.00 0.00 N ATOM 113 NH2 ARG P 5 -1.011 -18.587 14.024 1.00 0.00 N ATOM 0 H ARG P 5 4.828 -15.651 13.517 1.00 0.00 H new ATOM 0 HA ARG P 5 2.559 -16.144 11.766 1.00 0.00 H new ATOM 0 HB2 ARG P 5 2.407 -15.783 14.231 1.00 0.00 H new ATOM 0 HB3 ARG P 5 3.092 -14.182 14.036 1.00 0.00 H new ATOM 0 HG2 ARG P 5 0.679 -14.035 14.343 1.00 0.00 H new ATOM 0 HG3 ARG P 5 1.123 -13.454 12.751 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -0.922 -14.785 12.615 1.00 0.00 H new ATOM 0 HD3 ARG P 5 0.367 -15.585 11.738 1.00 0.00 H new ATOM 0 HE ARG P 5 0.300 -16.564 14.443 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -1.539 -16.854 11.436 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -2.144 -18.454 11.881 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -0.510 -18.581 14.912 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -1.585 -19.390 13.767 1.00 0.00 H new ATOM 127 N THR P 6 2.449 -14.223 10.243 1.00 0.00 N ATOM 128 CA THR P 6 2.319 -13.150 9.238 1.00 0.00 C ATOM 129 C THR P 6 0.847 -12.740 9.103 1.00 0.00 C ATOM 130 O THR P 6 -0.031 -13.603 9.030 1.00 0.00 O ATOM 131 CB THR P 6 2.884 -13.601 7.875 1.00 0.00 C ATOM 132 OG1 THR P 6 4.242 -13.973 8.001 1.00 0.00 O ATOM 133 CG2 THR P 6 2.835 -12.506 6.806 1.00 0.00 C ATOM 0 H THR P 6 1.775 -14.975 10.100 1.00 0.00 H new ATOM 0 HA THR P 6 2.898 -12.288 9.571 1.00 0.00 H new ATOM 0 HB THR P 6 2.254 -14.435 7.567 1.00 0.00 H new ATOM 0 HG1 THR P 6 4.585 -14.258 7.129 1.00 0.00 H new ATOM 0 HG21 THR P 6 3.247 -12.890 5.873 1.00 0.00 H new ATOM 0 HG22 THR P 6 1.801 -12.199 6.647 1.00 0.00 H new ATOM 0 HG23 THR P 6 3.421 -11.649 7.136 1.00 0.00 H new ATOM 141 N HIS P 7 0.571 -11.432 9.064 1.00 0.00 N ATOM 142 CA HIS P 7 -0.779 -10.838 9.000 1.00 0.00 C ATOM 143 C HIS P 7 -1.085 -10.111 7.675 1.00 0.00 C ATOM 144 O HIS P 7 -2.066 -9.369 7.577 1.00 0.00 O ATOM 145 CB HIS P 7 -1.005 -9.950 10.236 1.00 0.00 C ATOM 146 CG HIS P 7 -0.159 -8.697 10.298 1.00 0.00 C ATOM 147 ND1 HIS P 7 1.178 -8.585 9.900 1.00 0.00 N ATOM 148 CD2 HIS P 7 -0.564 -7.500 10.816 1.00 0.00 C ATOM 149 CE1 HIS P 7 1.544 -7.323 10.189 1.00 0.00 C ATOM 150 NE2 HIS P 7 0.517 -6.650 10.735 1.00 0.00 N ATOM 0 H HIS P 7 1.307 -10.726 9.076 1.00 0.00 H new ATOM 0 HA HIS P 7 -1.499 -11.656 9.016 1.00 0.00 H new ATOM 0 HB2 HIS P 7 -2.055 -9.661 10.267 1.00 0.00 H new ATOM 0 HB3 HIS P 7 -0.811 -10.544 11.129 1.00 0.00 H new ATOM 0 HD2 HIS P 7 -1.541 -7.266 11.212 1.00 0.00 H new ATOM 0 HE1 HIS P 7 2.525 -6.909 10.008 1.00 0.00 H new ATOM 0 HE2 HIS P 7 0.535 -5.676 11.038 1.00 0.00 H new ATOM 158 N PHE P 8 -0.248 -10.306 6.653 1.00 0.00 N ATOM 159 CA PHE P 8 -0.470 -9.883 5.263 1.00 0.00 C ATOM 160 C PHE P 8 -0.935 -11.064 4.384 1.00 0.00 C ATOM 161 O PHE P 8 -0.769 -12.230 4.754 1.00 0.00 O ATOM 162 CB PHE P 8 0.828 -9.303 4.673 1.00 0.00 C ATOM 163 CG PHE P 8 1.405 -8.058 5.324 1.00 0.00 C ATOM 164 CD1 PHE P 8 2.230 -8.167 6.459 1.00 0.00 C ATOM 165 CD2 PHE P 8 1.191 -6.791 4.743 1.00 0.00 C ATOM 166 CE1 PHE P 8 2.836 -7.023 7.009 1.00 0.00 C ATOM 167 CE2 PHE P 8 1.803 -5.648 5.292 1.00 0.00 C ATOM 168 CZ PHE P 8 2.626 -5.763 6.425 1.00 0.00 C ATOM 0 H PHE P 8 0.644 -10.785 6.775 1.00 0.00 H new ATOM 0 HA PHE P 8 -1.250 -9.122 5.271 1.00 0.00 H new ATOM 0 HB2 PHE P 8 1.589 -10.082 4.707 1.00 0.00 H new ATOM 0 HB3 PHE P 8 0.648 -9.079 3.622 1.00 0.00 H new ATOM 0 HD1 PHE P 8 2.399 -9.134 6.910 1.00 0.00 H new ATOM 0 HD2 PHE P 8 0.556 -6.697 3.875 1.00 0.00 H new ATOM 0 HE1 PHE P 8 3.464 -7.114 7.883 1.00 0.00 H new ATOM 0 HE2 PHE P 8 1.639 -4.680 4.841 1.00 0.00 H new ATOM 0 HZ PHE P 8 3.095 -4.886 6.845 1.00 0.00 H new ATOM 178 N THR P 9 -1.458 -10.767 3.190 1.00 0.00 N ATOM 179 CA THR P 9 -1.731 -11.746 2.117 1.00 0.00 C ATOM 180 C THR P 9 -1.004 -11.363 0.824 1.00 0.00 C ATOM 181 O THR P 9 -0.739 -10.184 0.578 1.00 0.00 O ATOM 182 CB THR P 9 -3.239 -11.973 1.914 1.00 0.00 C ATOM 183 OG1 THR P 9 -3.434 -13.024 0.993 1.00 0.00 O ATOM 184 CG2 THR P 9 -4.002 -10.755 1.391 1.00 0.00 C ATOM 0 H THR P 9 -1.712 -9.814 2.930 1.00 0.00 H new ATOM 0 HA THR P 9 -1.327 -12.708 2.431 1.00 0.00 H new ATOM 0 HB THR P 9 -3.633 -12.201 2.904 1.00 0.00 H new ATOM 0 HG1 THR P 9 -4.394 -13.172 0.863 1.00 0.00 H new ATOM 0 HG21 THR P 9 -5.056 -11.007 1.278 1.00 0.00 H new ATOM 0 HG22 THR P 9 -3.899 -9.931 2.097 1.00 0.00 H new ATOM 0 HG23 THR P 9 -3.595 -10.458 0.425 1.00 0.00 H new ATOM 192 N SER P 10 -0.668 -12.345 -0.017 1.00 0.00 N ATOM 193 CA SER P 10 0.221 -12.190 -1.184 1.00 0.00 C ATOM 194 C SER P 10 -0.223 -11.120 -2.190 1.00 0.00 C ATOM 195 O SER P 10 0.624 -10.480 -2.811 1.00 0.00 O ATOM 196 CB SER P 10 0.355 -13.533 -1.914 1.00 0.00 C ATOM 197 OG SER P 10 0.782 -14.548 -1.013 1.00 0.00 O ATOM 0 H SER P 10 -1.014 -13.298 0.094 1.00 0.00 H new ATOM 0 HA SER P 10 1.176 -11.854 -0.780 1.00 0.00 H new ATOM 0 HB2 SER P 10 -0.602 -13.810 -2.357 1.00 0.00 H new ATOM 0 HB3 SER P 10 1.070 -13.440 -2.732 1.00 0.00 H new ATOM 0 HG SER P 10 0.861 -15.399 -1.493 1.00 0.00 H new ATOM 203 N GLN P 11 -1.530 -10.864 -2.319 1.00 0.00 N ATOM 204 CA GLN P 11 -2.067 -9.799 -3.179 1.00 0.00 C ATOM 205 C GLN P 11 -1.662 -8.391 -2.700 1.00 0.00 C ATOM 206 O GLN P 11 -1.423 -7.504 -3.520 1.00 0.00 O ATOM 207 CB GLN P 11 -3.599 -9.917 -3.256 1.00 0.00 C ATOM 208 CG GLN P 11 -4.060 -11.206 -3.956 1.00 0.00 C ATOM 209 CD GLN P 11 -5.583 -11.279 -4.067 1.00 0.00 C ATOM 210 OE1 GLN P 11 -6.263 -11.924 -3.279 1.00 0.00 O ATOM 211 NE2 GLN P 11 -6.183 -10.617 -5.036 1.00 0.00 N ATOM 0 H GLN P 11 -2.251 -11.392 -1.827 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.635 -9.931 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -4.013 -9.888 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.999 -9.055 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -3.620 -11.256 -4.952 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -3.694 -12.071 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -5.631 -10.075 -5.701 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -7.199 -10.647 -5.121 1.00 0.00 H new ATOM 220 N GLN P 12 -1.526 -8.188 -1.384 1.00 0.00 N ATOM 221 CA GLN P 12 -1.082 -6.919 -0.794 1.00 0.00 C ATOM 222 C GLN P 12 0.411 -6.689 -1.068 1.00 0.00 C ATOM 223 O GLN P 12 0.796 -5.595 -1.479 1.00 0.00 O ATOM 224 CB GLN P 12 -1.362 -6.905 0.720 1.00 0.00 C ATOM 225 CG GLN P 12 -2.857 -7.061 1.056 1.00 0.00 C ATOM 226 CD GLN P 12 -3.115 -7.288 2.545 1.00 0.00 C ATOM 227 OE1 GLN P 12 -2.375 -7.972 3.241 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.195 -6.768 3.082 1.00 0.00 N ATOM 0 H GLN P 12 -1.724 -8.909 -0.690 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.643 -6.108 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -0.802 -7.711 1.195 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -0.996 -5.970 1.143 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.391 -6.168 0.733 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.265 -7.899 0.491 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -4.821 -6.196 2.516 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -4.407 -6.936 4.065 1.00 0.00 H new ATOM 237 N LEU P 13 1.239 -7.732 -0.921 1.00 0.00 N ATOM 238 CA LEU P 13 2.671 -7.677 -1.249 1.00 0.00 C ATOM 239 C LEU P 13 2.898 -7.452 -2.751 1.00 0.00 C ATOM 240 O LEU P 13 3.764 -6.664 -3.123 1.00 0.00 O ATOM 241 CB LEU P 13 3.393 -8.968 -0.802 1.00 0.00 C ATOM 242 CG LEU P 13 3.693 -9.154 0.698 1.00 0.00 C ATOM 243 CD1 LEU P 13 4.449 -7.969 1.301 1.00 0.00 C ATOM 244 CD2 LEU P 13 2.446 -9.416 1.535 1.00 0.00 C ATOM 0 H LEU P 13 0.934 -8.640 -0.570 1.00 0.00 H new ATOM 0 HA LEU P 13 3.090 -6.830 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.791 -9.816 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.339 -9.023 -1.340 1.00 0.00 H new ATOM 0 HG LEU P 13 4.327 -10.040 0.735 1.00 0.00 H new ATOM 0 HD11 LEU P 13 4.633 -8.155 2.359 1.00 0.00 H new ATOM 0 HD12 LEU P 13 5.400 -7.843 0.784 1.00 0.00 H new ATOM 0 HD13 LEU P 13 3.853 -7.063 1.190 1.00 0.00 H new ATOM 0 HD21 LEU P 13 2.729 -9.537 2.581 1.00 0.00 H new ATOM 0 HD22 LEU P 13 1.760 -8.574 1.440 1.00 0.00 H new ATOM 0 HD23 LEU P 13 1.956 -10.324 1.184 1.00 0.00 H new ATOM 256 N GLN P 14 2.108 -8.098 -3.615 1.00 0.00 N ATOM 257 CA GLN P 14 2.175 -7.916 -5.068 1.00 0.00 C ATOM 258 C GLN P 14 1.820 -6.474 -5.474 1.00 0.00 C ATOM 259 O GLN P 14 2.527 -5.872 -6.282 1.00 0.00 O ATOM 260 CB GLN P 14 1.255 -8.948 -5.741 1.00 0.00 C ATOM 261 CG GLN P 14 1.341 -8.913 -7.274 1.00 0.00 C ATOM 262 CD GLN P 14 0.468 -9.993 -7.911 1.00 0.00 C ATOM 263 OE1 GLN P 14 -0.663 -9.760 -8.317 1.00 0.00 O ATOM 264 NE2 GLN P 14 0.943 -11.218 -8.013 1.00 0.00 N ATOM 0 H GLN P 14 1.397 -8.768 -3.322 1.00 0.00 H new ATOM 0 HA GLN P 14 3.198 -8.081 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN P 14 1.518 -9.946 -5.390 1.00 0.00 H new ATOM 0 HB3 GLN P 14 0.225 -8.764 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN P 14 1.029 -7.933 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN P 14 2.377 -9.052 -7.584 1.00 0.00 H new ATOM 0 HE21 GLN P 14 1.883 -11.430 -7.680 1.00 0.00 H new ATOM 0 HE22 GLN P 14 0.370 -11.954 -8.425 1.00 0.00 H new ATOM 273 N GLU P 15 0.771 -5.891 -4.886 1.00 0.00 N ATOM 274 CA GLU P 15 0.375 -4.503 -5.149 1.00 0.00 C ATOM 275 C GLU P 15 1.409 -3.496 -4.610 1.00 0.00 C ATOM 276 O GLU P 15 1.747 -2.538 -5.302 1.00 0.00 O ATOM 277 CB GLU P 15 -1.021 -4.253 -4.553 1.00 0.00 C ATOM 278 CG GLU P 15 -1.677 -2.949 -5.032 1.00 0.00 C ATOM 279 CD GLU P 15 -2.114 -3.035 -6.508 1.00 0.00 C ATOM 280 OE1 GLU P 15 -3.239 -3.521 -6.784 1.00 0.00 O ATOM 281 OE2 GLU P 15 -1.345 -2.617 -7.405 1.00 0.00 O ATOM 0 H GLU P 15 0.171 -6.368 -4.213 1.00 0.00 H new ATOM 0 HA GLU P 15 0.335 -4.350 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.670 -5.090 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -0.943 -4.231 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -2.544 -2.728 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -0.977 -2.123 -4.908 1.00 0.00 H new ATOM 288 N LEU P 16 1.973 -3.727 -3.418 1.00 0.00 N ATOM 289 CA LEU P 16 3.030 -2.882 -2.843 1.00 0.00 C ATOM 290 C LEU P 16 4.358 -2.985 -3.611 1.00 0.00 C ATOM 291 O LEU P 16 5.035 -1.976 -3.789 1.00 0.00 O ATOM 292 CB LEU P 16 3.212 -3.225 -1.356 1.00 0.00 C ATOM 293 CG LEU P 16 2.184 -2.514 -0.460 1.00 0.00 C ATOM 294 CD1 LEU P 16 2.052 -3.235 0.882 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.598 -1.068 -0.171 1.00 0.00 C ATOM 0 H LEU P 16 1.708 -4.510 -2.821 1.00 0.00 H new ATOM 0 HA LEU P 16 2.714 -1.843 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU P 16 3.123 -4.303 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.218 -2.946 -1.042 1.00 0.00 H new ATOM 0 HG LEU P 16 1.236 -2.525 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.320 -2.718 1.503 1.00 0.00 H new ATOM 0 HD12 LEU P 16 1.724 -4.261 0.713 1.00 0.00 H new ATOM 0 HD13 LEU P 16 3.017 -3.241 1.388 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.849 -0.595 0.465 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.562 -1.060 0.337 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.677 -0.518 -1.109 1.00 0.00 H new ATOM 307 N GLU P 17 4.712 -4.159 -4.139 1.00 0.00 N ATOM 308 CA GLU P 17 5.877 -4.320 -5.016 1.00 0.00 C ATOM 309 C GLU P 17 5.666 -3.643 -6.381 1.00 0.00 C ATOM 310 O GLU P 17 6.565 -2.952 -6.856 1.00 0.00 O ATOM 311 CB GLU P 17 6.239 -5.806 -5.144 1.00 0.00 C ATOM 312 CG GLU P 17 7.451 -6.021 -6.059 1.00 0.00 C ATOM 313 CD GLU P 17 8.167 -7.344 -5.742 1.00 0.00 C ATOM 314 OE1 GLU P 17 7.755 -8.412 -6.253 1.00 0.00 O ATOM 315 OE2 GLU P 17 9.161 -7.301 -4.975 1.00 0.00 O ATOM 0 H GLU P 17 4.200 -5.025 -3.971 1.00 0.00 H new ATOM 0 HA GLU P 17 6.726 -3.809 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU P 17 6.453 -6.214 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU P 17 5.384 -6.356 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU P 17 7.127 -6.021 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU P 17 8.148 -5.191 -5.942 1.00 0.00 H new ATOM 322 N ALA P 18 4.476 -3.747 -6.980 1.00 0.00 N ATOM 323 CA ALA P 18 4.133 -2.998 -8.194 1.00 0.00 C ATOM 324 C ALA P 18 4.141 -1.473 -7.949 1.00 0.00 C ATOM 325 O ALA P 18 4.641 -0.710 -8.778 1.00 0.00 O ATOM 326 CB ALA P 18 2.773 -3.488 -8.702 1.00 0.00 C ATOM 0 H ALA P 18 3.726 -4.349 -6.640 1.00 0.00 H new ATOM 0 HA ALA P 18 4.889 -3.181 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA P 18 2.503 -2.941 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA P 18 2.831 -4.553 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA P 18 2.016 -3.320 -7.936 1.00 0.00 H new ATOM 332 N THR P 19 3.665 -1.031 -6.779 1.00 0.00 N ATOM 333 CA THR P 19 3.718 0.367 -6.321 1.00 0.00 C ATOM 334 C THR P 19 5.169 0.845 -6.192 1.00 0.00 C ATOM 335 O THR P 19 5.519 1.876 -6.762 1.00 0.00 O ATOM 336 CB THR P 19 2.969 0.523 -4.983 1.00 0.00 C ATOM 337 OG1 THR P 19 1.610 0.180 -5.139 1.00 0.00 O ATOM 338 CG2 THR P 19 2.966 1.937 -4.411 1.00 0.00 C ATOM 0 H THR P 19 3.219 -1.652 -6.104 1.00 0.00 H new ATOM 0 HA THR P 19 3.225 0.991 -7.066 1.00 0.00 H new ATOM 0 HB THR P 19 3.510 -0.134 -4.302 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.525 -0.794 -5.212 1.00 0.00 H new ATOM 0 HG21 THR P 19 2.416 1.948 -3.470 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.992 2.261 -4.235 1.00 0.00 H new ATOM 0 HG23 THR P 19 2.488 2.615 -5.118 1.00 0.00 H new ATOM 346 N PHE P 20 6.036 0.071 -5.528 1.00 0.00 N ATOM 347 CA PHE P 20 7.470 0.349 -5.372 1.00 0.00 C ATOM 348 C PHE P 20 8.214 0.397 -6.720 1.00 0.00 C ATOM 349 O PHE P 20 9.027 1.294 -6.947 1.00 0.00 O ATOM 350 CB PHE P 20 8.052 -0.726 -4.438 1.00 0.00 C ATOM 351 CG PHE P 20 9.555 -0.700 -4.230 1.00 0.00 C ATOM 352 CD1 PHE P 20 10.396 -1.453 -5.073 1.00 0.00 C ATOM 353 CD2 PHE P 20 10.114 0.023 -3.158 1.00 0.00 C ATOM 354 CE1 PHE P 20 11.781 -1.502 -4.832 1.00 0.00 C ATOM 355 CE2 PHE P 20 11.499 -0.028 -2.915 1.00 0.00 C ATOM 356 CZ PHE P 20 12.331 -0.803 -3.743 1.00 0.00 C ATOM 0 H PHE P 20 5.750 -0.794 -5.069 1.00 0.00 H new ATOM 0 HA PHE P 20 7.603 1.340 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.571 -0.629 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE P 20 7.779 -1.705 -4.832 1.00 0.00 H new ATOM 0 HD1 PHE P 20 9.976 -1.995 -5.907 1.00 0.00 H new ATOM 0 HD2 PHE P 20 9.477 0.618 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE P 20 12.422 -2.077 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE P 20 11.923 0.528 -2.092 1.00 0.00 H new ATOM 0 HZ PHE P 20 13.391 -0.861 -3.543 1.00 0.00 H new ATOM 366 N GLN P 21 7.905 -0.520 -7.645 1.00 0.00 N ATOM 367 CA GLN P 21 8.483 -0.547 -8.996 1.00 0.00 C ATOM 368 C GLN P 21 8.033 0.647 -9.859 1.00 0.00 C ATOM 369 O GLN P 21 8.820 1.145 -10.669 1.00 0.00 O ATOM 370 CB GLN P 21 8.121 -1.876 -9.680 1.00 0.00 C ATOM 371 CG GLN P 21 8.938 -3.056 -9.120 1.00 0.00 C ATOM 372 CD GLN P 21 8.505 -4.418 -9.670 1.00 0.00 C ATOM 373 OE1 GLN P 21 7.534 -4.572 -10.402 1.00 0.00 O ATOM 374 NE2 GLN P 21 9.222 -5.474 -9.344 1.00 0.00 N ATOM 0 H GLN P 21 7.239 -1.273 -7.475 1.00 0.00 H new ATOM 0 HA GLN P 21 9.565 -0.464 -8.895 1.00 0.00 H new ATOM 0 HB2 GLN P 21 7.058 -2.075 -9.545 1.00 0.00 H new ATOM 0 HB3 GLN P 21 8.296 -1.791 -10.753 1.00 0.00 H new ATOM 0 HG2 GLN P 21 9.992 -2.899 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN P 21 8.847 -3.067 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN P 21 10.035 -5.371 -8.736 1.00 0.00 H new ATOM 0 HE22 GLN P 21 8.965 -6.395 -9.699 1.00 0.00 H new ATOM 383 N ARG P 22 6.801 1.146 -9.670 1.00 0.00 N ATOM 384 CA ARG P 22 6.283 2.360 -10.327 1.00 0.00 C ATOM 385 C ARG P 22 6.876 3.643 -9.726 1.00 0.00 C ATOM 386 O ARG P 22 7.250 4.550 -10.470 1.00 0.00 O ATOM 387 CB ARG P 22 4.745 2.338 -10.267 1.00 0.00 C ATOM 388 CG ARG P 22 4.101 3.484 -11.063 1.00 0.00 C ATOM 389 CD ARG P 22 2.573 3.364 -11.049 1.00 0.00 C ATOM 390 NE ARG P 22 1.941 4.457 -11.815 1.00 0.00 N ATOM 391 CZ ARG P 22 0.646 4.627 -12.027 1.00 0.00 C ATOM 392 NH1 ARG P 22 -0.249 3.805 -11.553 1.00 0.00 N ATOM 393 NH2 ARG P 22 0.221 5.639 -12.727 1.00 0.00 N ATOM 0 H ARG P 22 6.123 0.710 -9.045 1.00 0.00 H new ATOM 0 HA ARG P 22 6.595 2.363 -11.371 1.00 0.00 H new ATOM 0 HB2 ARG P 22 4.385 1.385 -10.655 1.00 0.00 H new ATOM 0 HB3 ARG P 22 4.426 2.400 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG P 22 4.399 4.442 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG P 22 4.462 3.467 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG P 22 2.278 2.403 -11.471 1.00 0.00 H new ATOM 0 HD3 ARG P 22 2.214 3.384 -10.020 1.00 0.00 H new ATOM 0 HE ARG P 22 2.567 5.152 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG P 22 0.041 2.999 -10.999 1.00 0.00 H new ATOM 0 HH12 ARG P 22 -1.239 3.968 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG P 22 0.888 6.306 -13.116 1.00 0.00 H new ATOM 0 HH22 ARG P 22 -0.779 5.765 -12.887 1.00 0.00 H new ATOM 407 N ASN P 23 6.979 3.711 -8.397 1.00 0.00 N ATOM 408 CA ASN P 23 7.541 4.835 -7.644 1.00 0.00 C ATOM 409 C ASN P 23 8.152 4.357 -6.308 1.00 0.00 C ATOM 410 O ASN P 23 7.436 3.871 -5.428 1.00 0.00 O ATOM 411 CB ASN P 23 6.414 5.866 -7.417 1.00 0.00 C ATOM 412 CG ASN P 23 6.868 7.130 -6.705 1.00 0.00 C ATOM 413 OD1 ASN P 23 8.036 7.335 -6.406 1.00 0.00 O ATOM 414 ND2 ASN P 23 5.954 8.025 -6.412 1.00 0.00 N ATOM 0 H ASN P 23 6.661 2.954 -7.792 1.00 0.00 H new ATOM 0 HA ASN P 23 8.352 5.297 -8.206 1.00 0.00 H new ATOM 0 HB2 ASN P 23 5.985 6.138 -8.381 1.00 0.00 H new ATOM 0 HB3 ASN P 23 5.620 5.399 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN P 23 6.219 8.888 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN P 23 4.979 7.858 -6.660 1.00 0.00 H new ATOM 421 N ARG P 24 9.466 4.550 -6.121 1.00 0.00 N ATOM 422 CA ARG P 24 10.183 4.216 -4.871 1.00 0.00 C ATOM 423 C ARG P 24 10.039 5.268 -3.760 1.00 0.00 C ATOM 424 O ARG P 24 10.405 4.995 -2.617 1.00 0.00 O ATOM 425 CB ARG P 24 11.667 3.940 -5.170 1.00 0.00 C ATOM 426 CG ARG P 24 11.881 2.669 -6.010 1.00 0.00 C ATOM 427 CD ARG P 24 13.368 2.307 -6.107 1.00 0.00 C ATOM 428 NE ARG P 24 13.897 1.884 -4.795 1.00 0.00 N ATOM 429 CZ ARG P 24 15.153 1.894 -4.389 1.00 0.00 C ATOM 430 NH1 ARG P 24 16.138 2.254 -5.159 1.00 0.00 N ATOM 431 NH2 ARG P 24 15.444 1.540 -3.172 1.00 0.00 N ATOM 0 H ARG P 24 10.072 4.947 -6.839 1.00 0.00 H new ATOM 0 HA ARG P 24 9.708 3.316 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG P 24 12.091 4.794 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG P 24 12.210 3.844 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG P 24 11.331 1.840 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG P 24 11.475 2.820 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG P 24 13.504 1.506 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG P 24 13.932 3.166 -6.471 1.00 0.00 H new ATOM 0 HE ARG P 24 13.210 1.543 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG P 24 15.955 2.544 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG P 24 17.093 2.246 -4.802 1.00 0.00 H new ATOM 0 HH21 ARG P 24 14.702 1.255 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG P 24 16.414 1.547 -2.857 1.00 0.00 H new ATOM 445 N TYR P 25 9.502 6.448 -4.081 1.00 0.00 N ATOM 446 CA TYR P 25 9.390 7.611 -3.190 1.00 0.00 C ATOM 447 C TYR P 25 7.967 8.231 -3.191 1.00 0.00 C ATOM 448 O TYR P 25 7.819 9.428 -3.466 1.00 0.00 O ATOM 449 CB TYR P 25 10.484 8.627 -3.574 1.00 0.00 C ATOM 450 CG TYR P 25 11.904 8.088 -3.529 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.642 8.151 -2.331 1.00 0.00 C ATOM 452 CD2 TYR P 25 12.485 7.521 -4.682 1.00 0.00 C ATOM 453 CE1 TYR P 25 13.955 7.646 -2.284 1.00 0.00 C ATOM 454 CE2 TYR P 25 13.798 7.014 -4.638 1.00 0.00 C ATOM 455 CZ TYR P 25 14.536 7.071 -3.436 1.00 0.00 C ATOM 456 OH TYR P 25 15.792 6.548 -3.371 1.00 0.00 O ATOM 0 H TYR P 25 9.116 6.629 -5.008 1.00 0.00 H new ATOM 0 HA TYR P 25 9.547 7.290 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR P 25 10.282 8.993 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR P 25 10.415 9.484 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR P 25 12.200 8.587 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR P 25 11.921 7.475 -5.602 1.00 0.00 H new ATOM 0 HE1 TYR P 25 14.520 7.698 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR P 25 14.240 6.582 -5.523 1.00 0.00 H new ATOM 0 HH TYR P 25 16.044 6.191 -4.248 1.00 0.00 H new ATOM 466 N PRO P 26 6.895 7.458 -2.909 1.00 0.00 N ATOM 467 CA PRO P 26 5.535 7.992 -2.828 1.00 0.00 C ATOM 468 C PRO P 26 5.355 8.909 -1.608 1.00 0.00 C ATOM 469 O PRO P 26 5.915 8.655 -0.538 1.00 0.00 O ATOM 470 CB PRO P 26 4.617 6.766 -2.770 1.00 0.00 C ATOM 471 CG PRO P 26 5.483 5.707 -2.091 1.00 0.00 C ATOM 472 CD PRO P 26 6.892 6.037 -2.578 1.00 0.00 C ATOM 0 HA PRO P 26 5.299 8.620 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO P 26 3.710 6.969 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO P 26 4.304 6.451 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO P 26 5.410 5.764 -1.005 1.00 0.00 H new ATOM 0 HG3 PRO P 26 5.184 4.699 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO P 26 7.630 5.817 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO P 26 7.152 5.435 -3.449 1.00 0.00 H new ATOM 480 N ASP P 27 4.543 9.958 -1.747 1.00 0.00 N ATOM 481 CA ASP P 27 4.137 10.833 -0.638 1.00 0.00 C ATOM 482 C ASP P 27 3.088 10.143 0.260 1.00 0.00 C ATOM 483 O ASP P 27 2.467 9.154 -0.135 1.00 0.00 O ATOM 484 CB ASP P 27 3.638 12.172 -1.214 1.00 0.00 C ATOM 485 CG ASP P 27 3.532 13.316 -0.183 1.00 0.00 C ATOM 486 OD1 ASP P 27 4.009 13.167 0.968 1.00 0.00 O ATOM 487 OD2 ASP P 27 2.986 14.387 -0.537 1.00 0.00 O ATOM 0 H ASP P 27 4.141 10.230 -2.644 1.00 0.00 H new ATOM 0 HA ASP P 27 4.993 11.037 0.005 1.00 0.00 H new ATOM 0 HB2 ASP P 27 4.311 12.482 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP P 27 2.658 12.016 -1.665 1.00 0.00 H new ATOM 492 N MET P 28 2.868 10.646 1.474 1.00 0.00 N ATOM 493 CA MET P 28 2.019 9.992 2.482 1.00 0.00 C ATOM 494 C MET P 28 0.538 9.918 2.068 1.00 0.00 C ATOM 495 O MET P 28 -0.162 8.976 2.441 1.00 0.00 O ATOM 496 CB MET P 28 2.188 10.682 3.848 1.00 0.00 C ATOM 497 CG MET P 28 3.657 10.756 4.295 1.00 0.00 C ATOM 498 SD MET P 28 4.521 9.160 4.394 1.00 0.00 S ATOM 499 CE MET P 28 6.189 9.695 3.927 1.00 0.00 C ATOM 0 H MET P 28 3.275 11.525 1.793 1.00 0.00 H new ATOM 0 HA MET P 28 2.356 8.959 2.564 1.00 0.00 H new ATOM 0 HB2 MET P 28 1.777 11.690 3.795 1.00 0.00 H new ATOM 0 HB3 MET P 28 1.611 10.141 4.598 1.00 0.00 H new ATOM 0 HG2 MET P 28 4.198 11.401 3.603 1.00 0.00 H new ATOM 0 HG3 MET P 28 3.698 11.234 5.274 1.00 0.00 H new ATOM 0 HE1 MET P 28 6.862 8.837 3.934 1.00 0.00 H new ATOM 0 HE2 MET P 28 6.165 10.129 2.928 1.00 0.00 H new ATOM 0 HE3 MET P 28 6.544 10.441 4.638 1.00 0.00 H new ATOM 509 N SER P 29 0.069 10.850 1.231 1.00 0.00 N ATOM 510 CA SER P 29 -1.251 10.797 0.583 1.00 0.00 C ATOM 511 C SER P 29 -1.340 9.680 -0.469 1.00 0.00 C ATOM 512 O SER P 29 -2.304 8.915 -0.475 1.00 0.00 O ATOM 513 CB SER P 29 -1.568 12.157 -0.050 1.00 0.00 C ATOM 514 OG SER P 29 -0.501 12.583 -0.885 1.00 0.00 O ATOM 0 H SER P 29 0.605 11.680 0.978 1.00 0.00 H new ATOM 0 HA SER P 29 -1.990 10.568 1.351 1.00 0.00 H new ATOM 0 HB2 SER P 29 -2.487 12.087 -0.632 1.00 0.00 H new ATOM 0 HB3 SER P 29 -1.742 12.896 0.732 1.00 0.00 H new ATOM 0 HG SER P 29 -0.722 13.452 -1.281 1.00 0.00 H new ATOM 520 N THR P 30 -0.305 9.508 -1.299 1.00 0.00 N ATOM 521 CA THR P 30 -0.182 8.395 -2.260 1.00 0.00 C ATOM 522 C THR P 30 -0.137 7.047 -1.533 1.00 0.00 C ATOM 523 O THR P 30 -0.831 6.107 -1.930 1.00 0.00 O ATOM 524 CB THR P 30 1.073 8.568 -3.136 1.00 0.00 C ATOM 525 OG1 THR P 30 1.068 9.846 -3.742 1.00 0.00 O ATOM 526 CG2 THR P 30 1.173 7.537 -4.261 1.00 0.00 C ATOM 0 H THR P 30 0.488 10.149 -1.326 1.00 0.00 H new ATOM 0 HA THR P 30 -1.061 8.410 -2.904 1.00 0.00 H new ATOM 0 HB THR P 30 1.922 8.436 -2.465 1.00 0.00 H new ATOM 0 HG1 THR P 30 1.870 9.949 -4.296 1.00 0.00 H new ATOM 0 HG21 THR P 30 2.080 7.716 -4.839 1.00 0.00 H new ATOM 0 HG22 THR P 30 1.207 6.535 -3.834 1.00 0.00 H new ATOM 0 HG23 THR P 30 0.304 7.624 -4.913 1.00 0.00 H new ATOM 534 N ARG P 31 0.611 6.962 -0.422 1.00 0.00 N ATOM 535 CA ARG P 31 0.660 5.778 0.456 1.00 0.00 C ATOM 536 C ARG P 31 -0.702 5.465 1.079 1.00 0.00 C ATOM 537 O ARG P 31 -1.064 4.298 1.168 1.00 0.00 O ATOM 538 CB ARG P 31 1.719 5.961 1.558 1.00 0.00 C ATOM 539 CG ARG P 31 3.149 5.980 0.999 1.00 0.00 C ATOM 540 CD ARG P 31 4.187 6.187 2.111 1.00 0.00 C ATOM 541 NE ARG P 31 5.413 6.800 1.567 1.00 0.00 N ATOM 542 CZ ARG P 31 6.661 6.659 1.962 1.00 0.00 C ATOM 543 NH1 ARG P 31 7.007 5.896 2.958 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.590 7.321 1.340 1.00 0.00 N ATOM 0 H ARG P 31 1.208 7.724 -0.102 1.00 0.00 H new ATOM 0 HA ARG P 31 0.939 4.929 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.528 6.893 2.091 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.627 5.154 2.284 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.351 5.042 0.482 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.241 6.777 0.261 1.00 0.00 H new ATOM 0 HD2 ARG P 31 3.770 6.824 2.891 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.427 5.230 2.575 1.00 0.00 H new ATOM 0 HE ARG P 31 5.274 7.422 0.771 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.297 5.374 3.471 1.00 0.00 H new ATOM 0 HH12 ARG P 31 7.988 5.820 3.226 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.346 7.935 0.563 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.564 7.227 1.629 1.00 0.00 H new ATOM 558 N GLU P 32 -1.480 6.475 1.465 1.00 0.00 N ATOM 559 CA GLU P 32 -2.834 6.284 2.004 1.00 0.00 C ATOM 560 C GLU P 32 -3.836 5.792 0.943 1.00 0.00 C ATOM 561 O GLU P 32 -4.666 4.933 1.245 1.00 0.00 O ATOM 562 CB GLU P 32 -3.307 7.586 2.677 1.00 0.00 C ATOM 563 CG GLU P 32 -4.642 7.425 3.415 1.00 0.00 C ATOM 564 CD GLU P 32 -5.044 8.733 4.125 1.00 0.00 C ATOM 565 OE1 GLU P 32 -5.575 9.655 3.457 1.00 0.00 O ATOM 566 OE2 GLU P 32 -4.850 8.845 5.361 1.00 0.00 O ATOM 0 H GLU P 32 -1.193 7.452 1.414 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.790 5.492 2.751 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -2.546 7.922 3.382 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.407 8.364 1.921 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -5.420 7.137 2.708 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -4.562 6.620 4.146 1.00 0.00 H new ATOM 573 N GLU P 33 -3.743 6.258 -0.308 1.00 0.00 N ATOM 574 CA GLU P 33 -4.579 5.732 -1.398 1.00 0.00 C ATOM 575 C GLU P 33 -4.274 4.254 -1.680 1.00 0.00 C ATOM 576 O GLU P 33 -5.189 3.430 -1.679 1.00 0.00 O ATOM 577 CB GLU P 33 -4.435 6.562 -2.682 1.00 0.00 C ATOM 578 CG GLU P 33 -5.086 7.945 -2.558 1.00 0.00 C ATOM 579 CD GLU P 33 -5.034 8.705 -3.897 1.00 0.00 C ATOM 580 OE1 GLU P 33 -3.968 9.267 -4.247 1.00 0.00 O ATOM 581 OE2 GLU P 33 -6.071 8.763 -4.605 1.00 0.00 O ATOM 0 H GLU P 33 -3.099 6.997 -0.592 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.613 5.810 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.378 6.681 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -4.889 6.023 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -6.122 7.835 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.575 8.523 -1.788 1.00 0.00 H new ATOM 588 N ILE P 34 -2.999 3.875 -1.832 1.00 0.00 N ATOM 589 CA ILE P 34 -2.643 2.461 -2.045 1.00 0.00 C ATOM 590 C ILE P 34 -2.902 1.596 -0.797 1.00 0.00 C ATOM 591 O ILE P 34 -3.134 0.393 -0.930 1.00 0.00 O ATOM 592 CB ILE P 34 -1.230 2.287 -2.648 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.061 2.668 -1.726 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.084 3.095 -3.948 1.00 0.00 C ATOM 595 CD1 ILE P 34 0.311 1.582 -0.717 1.00 0.00 C ATOM 0 H ILE P 34 -2.205 4.515 -1.812 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.322 2.076 -2.806 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.159 1.213 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.812 2.896 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.319 3.579 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.081 2.956 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -1.819 2.751 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.248 4.152 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE P 34 1.144 1.926 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.547 1.369 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.602 0.676 -1.248 1.00 0.00 H new ATOM 607 N ALA P 35 -2.951 2.192 0.402 1.00 0.00 N ATOM 608 CA ALA P 35 -3.360 1.513 1.632 1.00 0.00 C ATOM 609 C ALA P 35 -4.837 1.094 1.576 1.00 0.00 C ATOM 610 O ALA P 35 -5.136 -0.088 1.738 1.00 0.00 O ATOM 611 CB ALA P 35 -3.072 2.387 2.863 1.00 0.00 C ATOM 0 H ALA P 35 -2.704 3.172 0.543 1.00 0.00 H new ATOM 0 HA ALA P 35 -2.768 0.603 1.723 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.385 1.860 3.764 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -2.004 2.597 2.918 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.623 3.324 2.781 1.00 0.00 H new ATOM 617 N VAL P 36 -5.773 2.004 1.269 1.00 0.00 N ATOM 618 CA VAL P 36 -7.202 1.645 1.166 1.00 0.00 C ATOM 619 C VAL P 36 -7.486 0.683 0.002 1.00 0.00 C ATOM 620 O VAL P 36 -8.366 -0.169 0.122 1.00 0.00 O ATOM 621 CB VAL P 36 -8.145 2.865 1.136 1.00 0.00 C ATOM 622 CG1 VAL P 36 -8.027 3.688 2.422 1.00 0.00 C ATOM 623 CG2 VAL P 36 -7.928 3.818 -0.040 1.00 0.00 C ATOM 0 H VAL P 36 -5.572 2.988 1.088 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.426 1.112 2.090 1.00 0.00 H new ATOM 0 HB VAL P 36 -9.136 2.424 1.028 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -8.704 4.541 2.371 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -8.291 3.066 3.277 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -7.003 4.043 2.534 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.637 4.644 0.025 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -6.911 4.209 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -8.081 3.281 -0.976 1.00 0.00 H new ATOM 633 N TRP P 37 -6.694 0.729 -1.077 1.00 0.00 N ATOM 634 CA TRP P 37 -6.769 -0.225 -2.200 1.00 0.00 C ATOM 635 C TRP P 37 -6.243 -1.634 -1.850 1.00 0.00 C ATOM 636 O TRP P 37 -6.590 -2.601 -2.532 1.00 0.00 O ATOM 637 CB TRP P 37 -6.025 0.352 -3.417 1.00 0.00 C ATOM 638 CG TRP P 37 -6.457 1.696 -3.933 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.573 2.365 -3.569 1.00 0.00 C ATOM 640 CD2 TRP P 37 -5.763 2.585 -4.866 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.599 3.612 -4.157 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.511 3.797 -4.983 1.00 0.00 C ATOM 643 CE3 TRP P 37 -4.569 2.495 -5.616 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -6.096 4.863 -5.795 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -4.143 3.560 -6.435 1.00 0.00 C ATOM 646 CH2 TRP P 37 -4.901 4.741 -6.525 1.00 0.00 C ATOM 0 H TRP P 37 -5.972 1.439 -1.200 1.00 0.00 H new ATOM 0 HA TRP P 37 -7.825 -0.357 -2.438 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -4.967 0.416 -3.163 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.114 -0.364 -4.234 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.337 1.978 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.329 4.307 -4.001 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -3.973 1.596 -5.561 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -6.687 5.765 -5.858 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -3.226 3.468 -6.998 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.566 5.553 -7.154 1.00 0.00 H new ATOM 657 N THR P 38 -5.455 -1.774 -0.776 1.00 0.00 N ATOM 658 CA THR P 38 -4.966 -3.057 -0.218 1.00 0.00 C ATOM 659 C THR P 38 -5.617 -3.430 1.127 1.00 0.00 C ATOM 660 O THR P 38 -5.291 -4.466 1.710 1.00 0.00 O ATOM 661 CB THR P 38 -3.429 -3.072 -0.101 1.00 0.00 C ATOM 662 OG1 THR P 38 -2.947 -1.961 0.616 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.739 -3.068 -1.464 1.00 0.00 C ATOM 0 H THR P 38 -5.123 -0.969 -0.245 1.00 0.00 H new ATOM 0 HA THR P 38 -5.271 -3.822 -0.932 1.00 0.00 H new ATOM 0 HB THR P 38 -3.195 -3.996 0.428 1.00 0.00 H new ATOM 0 HG1 THR P 38 -3.035 -1.154 0.067 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.658 -3.079 -1.325 1.00 0.00 H new ATOM 0 HG22 THR P 38 -3.041 -3.951 -2.027 1.00 0.00 H new ATOM 0 HG23 THR P 38 -3.025 -2.171 -2.014 1.00 0.00 H new ATOM 671 N ASN P 39 -6.562 -2.614 1.611 1.00 0.00 N ATOM 672 CA ASN P 39 -7.192 -2.672 2.938 1.00 0.00 C ATOM 673 C ASN P 39 -6.203 -2.573 4.133 1.00 0.00 C ATOM 674 O ASN P 39 -6.455 -3.085 5.225 1.00 0.00 O ATOM 675 CB ASN P 39 -8.198 -3.845 2.979 1.00 0.00 C ATOM 676 CG ASN P 39 -9.182 -3.769 4.138 1.00 0.00 C ATOM 677 OD1 ASN P 39 -9.194 -4.594 5.042 1.00 0.00 O ATOM 678 ND2 ASN P 39 -10.069 -2.796 4.137 1.00 0.00 N ATOM 0 H ASN P 39 -6.931 -1.846 1.051 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.769 -1.759 3.087 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -8.755 -3.867 2.042 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -7.646 -4.783 3.044 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -10.759 -2.734 4.886 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -10.066 -2.104 3.388 1.00 0.00 H new ATOM 685 N LEU P 40 -5.077 -1.886 3.924 1.00 0.00 N ATOM 686 CA LEU P 40 -4.101 -1.469 4.938 1.00 0.00 C ATOM 687 C LEU P 40 -4.427 -0.055 5.473 1.00 0.00 C ATOM 688 O LEU P 40 -5.331 0.630 4.986 1.00 0.00 O ATOM 689 CB LEU P 40 -2.689 -1.507 4.305 1.00 0.00 C ATOM 690 CG LEU P 40 -1.929 -2.839 4.437 1.00 0.00 C ATOM 691 CD1 LEU P 40 -2.645 -4.030 3.814 1.00 0.00 C ATOM 692 CD2 LEU P 40 -0.568 -2.706 3.760 1.00 0.00 C ATOM 0 H LEU P 40 -4.805 -1.588 2.987 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.142 -2.151 5.787 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -2.780 -1.266 3.246 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.087 -0.721 4.760 1.00 0.00 H new ATOM 0 HG LEU P 40 -1.847 -3.033 5.506 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -2.043 -4.928 3.950 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -3.613 -4.165 4.296 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -2.792 -3.850 2.749 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -0.024 -3.646 3.850 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -0.708 -2.467 2.706 1.00 0.00 H new ATOM 0 HD23 LEU P 40 0.001 -1.910 4.240 1.00 0.00 H new ATOM 704 N THR P 41 -3.650 0.393 6.463 1.00 0.00 N ATOM 705 CA THR P 41 -3.601 1.788 6.944 1.00 0.00 C ATOM 706 C THR P 41 -2.263 2.425 6.546 1.00 0.00 C ATOM 707 O THR P 41 -1.266 1.718 6.368 1.00 0.00 O ATOM 708 CB THR P 41 -3.887 1.882 8.450 1.00 0.00 C ATOM 709 OG1 THR P 41 -3.933 3.239 8.835 1.00 0.00 O ATOM 710 CG2 THR P 41 -2.841 1.189 9.323 1.00 0.00 C ATOM 0 H THR P 41 -3.014 -0.221 6.973 1.00 0.00 H new ATOM 0 HA THR P 41 -4.395 2.358 6.463 1.00 0.00 H new ATOM 0 HB THR P 41 -4.839 1.374 8.605 1.00 0.00 H new ATOM 0 HG1 THR P 41 -4.117 3.300 9.796 1.00 0.00 H new ATOM 0 HG21 THR P 41 -3.113 1.299 10.373 1.00 0.00 H new ATOM 0 HG22 THR P 41 -2.798 0.130 9.068 1.00 0.00 H new ATOM 0 HG23 THR P 41 -1.865 1.643 9.151 1.00 0.00 H new ATOM 718 N GLU P 42 -2.206 3.751 6.390 1.00 0.00 N ATOM 719 CA GLU P 42 -1.009 4.433 5.872 1.00 0.00 C ATOM 720 C GLU P 42 0.226 4.253 6.767 1.00 0.00 C ATOM 721 O GLU P 42 1.339 4.175 6.253 1.00 0.00 O ATOM 722 CB GLU P 42 -1.300 5.912 5.564 1.00 0.00 C ATOM 723 CG GLU P 42 -1.581 6.836 6.762 1.00 0.00 C ATOM 724 CD GLU P 42 -0.329 7.264 7.557 1.00 0.00 C ATOM 725 OE1 GLU P 42 0.740 7.522 6.953 1.00 0.00 O ATOM 726 OE2 GLU P 42 -0.417 7.382 8.802 1.00 0.00 O ATOM 0 H GLU P 42 -2.977 4.379 6.615 1.00 0.00 H new ATOM 0 HA GLU P 42 -0.755 3.945 4.931 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -0.449 6.317 5.017 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -2.159 5.955 4.895 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -2.089 7.731 6.402 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.269 6.330 7.439 1.00 0.00 H new ATOM 733 N ALA P 43 0.046 4.086 8.081 1.00 0.00 N ATOM 734 CA ALA P 43 1.145 3.818 9.008 1.00 0.00 C ATOM 735 C ALA P 43 1.776 2.429 8.781 1.00 0.00 C ATOM 736 O ALA P 43 2.999 2.288 8.802 1.00 0.00 O ATOM 737 CB ALA P 43 0.623 3.979 10.441 1.00 0.00 C ATOM 0 H ALA P 43 -0.868 4.133 8.531 1.00 0.00 H new ATOM 0 HA ALA P 43 1.945 4.536 8.828 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.430 3.783 11.147 1.00 0.00 H new ATOM 0 HB2 ALA P 43 0.257 4.996 10.583 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -0.190 3.273 10.614 1.00 0.00 H new ATOM 743 N ARG P 44 0.956 1.408 8.484 1.00 0.00 N ATOM 744 CA ARG P 44 1.415 0.050 8.139 1.00 0.00 C ATOM 745 C ARG P 44 2.127 0.029 6.784 1.00 0.00 C ATOM 746 O ARG P 44 3.155 -0.630 6.642 1.00 0.00 O ATOM 747 CB ARG P 44 0.214 -0.912 8.207 1.00 0.00 C ATOM 748 CG ARG P 44 0.591 -2.373 7.918 1.00 0.00 C ATOM 749 CD ARG P 44 -0.591 -3.301 8.225 1.00 0.00 C ATOM 750 NE ARG P 44 -0.328 -4.674 7.760 1.00 0.00 N ATOM 751 CZ ARG P 44 -1.165 -5.695 7.787 1.00 0.00 C ATOM 752 NH1 ARG P 44 -2.369 -5.610 8.274 1.00 0.00 N ATOM 753 NH2 ARG P 44 -0.793 -6.843 7.314 1.00 0.00 N ATOM 0 H ARG P 44 -0.060 1.503 8.476 1.00 0.00 H new ATOM 0 HA ARG P 44 2.159 -0.286 8.861 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.238 -0.849 9.197 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.542 -0.590 7.491 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.884 -2.480 6.874 1.00 0.00 H new ATOM 0 HG3 ARG P 44 1.452 -2.659 8.521 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -0.781 -3.308 9.298 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -1.491 -2.918 7.744 1.00 0.00 H new ATOM 0 HE ARG P 44 0.600 -4.855 7.376 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -2.703 -4.726 8.657 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -2.979 -6.428 8.272 1.00 0.00 H new ATOM 0 HH21 ARG P 44 0.143 -6.955 6.923 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -1.436 -7.635 7.333 1.00 0.00 H new ATOM 767 N VAL P 45 1.650 0.822 5.822 1.00 0.00 N ATOM 768 CA VAL P 45 2.336 1.059 4.538 1.00 0.00 C ATOM 769 C VAL P 45 3.666 1.796 4.732 1.00 0.00 C ATOM 770 O VAL P 45 4.670 1.405 4.141 1.00 0.00 O ATOM 771 CB VAL P 45 1.401 1.803 3.565 1.00 0.00 C ATOM 772 CG1 VAL P 45 2.111 2.302 2.306 1.00 0.00 C ATOM 773 CG2 VAL P 45 0.270 0.868 3.129 1.00 0.00 C ATOM 0 H VAL P 45 0.767 1.326 5.908 1.00 0.00 H new ATOM 0 HA VAL P 45 2.582 0.093 4.098 1.00 0.00 H new ATOM 0 HB VAL P 45 1.025 2.672 4.105 1.00 0.00 H new ATOM 0 HG11 VAL P 45 1.396 2.816 1.664 1.00 0.00 H new ATOM 0 HG12 VAL P 45 2.908 2.991 2.586 1.00 0.00 H new ATOM 0 HG13 VAL P 45 2.537 1.455 1.768 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -0.392 1.394 2.441 1.00 0.00 H new ATOM 0 HG22 VAL P 45 0.691 -0.005 2.631 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -0.296 0.549 4.004 1.00 0.00 H new ATOM 783 N ARG P 46 3.725 2.813 5.600 1.00 0.00 N ATOM 784 CA ARG P 46 4.959 3.549 5.926 1.00 0.00 C ATOM 785 C ARG P 46 6.019 2.628 6.543 1.00 0.00 C ATOM 786 O ARG P 46 7.178 2.668 6.131 1.00 0.00 O ATOM 787 CB ARG P 46 4.583 4.731 6.838 1.00 0.00 C ATOM 788 CG ARG P 46 5.683 5.794 6.957 1.00 0.00 C ATOM 789 CD ARG P 46 5.327 6.857 8.007 1.00 0.00 C ATOM 790 NE ARG P 46 4.090 7.604 7.685 1.00 0.00 N ATOM 791 CZ ARG P 46 3.835 8.876 7.933 1.00 0.00 C ATOM 792 NH1 ARG P 46 4.716 9.685 8.453 1.00 0.00 N ATOM 793 NH2 ARG P 46 2.660 9.360 7.669 1.00 0.00 N ATOM 0 H ARG P 46 2.907 3.155 6.104 1.00 0.00 H new ATOM 0 HA ARG P 46 5.418 3.939 5.018 1.00 0.00 H new ATOM 0 HB2 ARG P 46 3.677 5.200 6.454 1.00 0.00 H new ATOM 0 HB3 ARG P 46 4.349 4.351 7.832 1.00 0.00 H new ATOM 0 HG2 ARG P 46 6.625 5.316 7.226 1.00 0.00 H new ATOM 0 HG3 ARG P 46 5.834 6.273 5.990 1.00 0.00 H new ATOM 0 HD2 ARG P 46 5.210 6.375 8.978 1.00 0.00 H new ATOM 0 HD3 ARG P 46 6.155 7.560 8.098 1.00 0.00 H new ATOM 0 HE ARG P 46 3.351 7.077 7.219 1.00 0.00 H new ATOM 0 HH11 ARG P 46 5.648 9.342 8.686 1.00 0.00 H new ATOM 0 HH12 ARG P 46 4.473 10.660 8.627 1.00 0.00 H new ATOM 0 HH21 ARG P 46 1.938 8.759 7.272 1.00 0.00 H new ATOM 0 HH22 ARG P 46 2.458 10.342 7.859 1.00 0.00 H new ATOM 807 N VAL P 47 5.608 1.731 7.443 1.00 0.00 N ATOM 808 CA VAL P 47 6.455 0.661 8.004 1.00 0.00 C ATOM 809 C VAL P 47 6.876 -0.357 6.933 1.00 0.00 C ATOM 810 O VAL P 47 8.032 -0.788 6.942 1.00 0.00 O ATOM 811 CB VAL P 47 5.749 -0.012 9.202 1.00 0.00 C ATOM 812 CG1 VAL P 47 6.462 -1.274 9.706 1.00 0.00 C ATOM 813 CG2 VAL P 47 5.681 0.959 10.390 1.00 0.00 C ATOM 0 H VAL P 47 4.658 1.723 7.814 1.00 0.00 H new ATOM 0 HA VAL P 47 7.376 1.115 8.371 1.00 0.00 H new ATOM 0 HB VAL P 47 4.761 -0.289 8.834 1.00 0.00 H new ATOM 0 HG11 VAL P 47 5.910 -1.692 10.548 1.00 0.00 H new ATOM 0 HG12 VAL P 47 6.511 -2.009 8.903 1.00 0.00 H new ATOM 0 HG13 VAL P 47 7.472 -1.018 10.026 1.00 0.00 H new ATOM 0 HG21 VAL P 47 5.181 0.474 11.228 1.00 0.00 H new ATOM 0 HG22 VAL P 47 6.691 1.244 10.685 1.00 0.00 H new ATOM 0 HG23 VAL P 47 5.122 1.849 10.101 1.00 0.00 H new ATOM 823 N TRP P 48 6.008 -0.704 5.975 1.00 0.00 N ATOM 824 CA TRP P 48 6.375 -1.573 4.847 1.00 0.00 C ATOM 825 C TRP P 48 7.455 -0.939 3.963 1.00 0.00 C ATOM 826 O TRP P 48 8.470 -1.581 3.707 1.00 0.00 O ATOM 827 CB TRP P 48 5.146 -1.970 4.015 1.00 0.00 C ATOM 828 CG TRP P 48 5.447 -2.966 2.934 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.330 -4.308 3.057 1.00 0.00 C ATOM 830 CD2 TRP P 48 5.964 -2.736 1.580 1.00 0.00 C ATOM 831 NE1 TRP P 48 5.744 -4.922 1.891 1.00 0.00 N ATOM 832 CE2 TRP P 48 6.161 -4.004 0.951 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.293 -1.592 0.817 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.671 -4.133 -0.351 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.806 -1.708 -0.489 1.00 0.00 C ATOM 836 CH2 TRP P 48 6.999 -2.973 -1.074 1.00 0.00 C ATOM 0 H TRP P 48 5.037 -0.393 5.958 1.00 0.00 H new ATOM 0 HA TRP P 48 6.796 -2.483 5.275 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.387 -2.385 4.679 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.719 -1.075 3.563 1.00 0.00 H new ATOM 0 HD1 TRP P 48 4.967 -4.822 3.935 1.00 0.00 H new ATOM 0 HE1 TRP P 48 5.741 -5.931 1.744 1.00 0.00 H new ATOM 0 HE3 TRP P 48 6.148 -0.611 1.244 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 6.809 -5.110 -0.791 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 7.054 -0.817 -1.047 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.398 -3.052 -2.075 1.00 0.00 H new ATOM 847 N PHE P 49 7.306 0.330 3.560 1.00 0.00 N ATOM 848 CA PHE P 49 8.322 1.038 2.766 1.00 0.00 C ATOM 849 C PHE P 49 9.647 1.206 3.529 1.00 0.00 C ATOM 850 O PHE P 49 10.717 1.042 2.936 1.00 0.00 O ATOM 851 CB PHE P 49 7.783 2.391 2.274 1.00 0.00 C ATOM 852 CG PHE P 49 6.995 2.304 0.979 1.00 0.00 C ATOM 853 CD1 PHE P 49 7.673 2.196 -0.252 1.00 0.00 C ATOM 854 CD2 PHE P 49 5.588 2.326 0.993 1.00 0.00 C ATOM 855 CE1 PHE P 49 6.949 2.095 -1.454 1.00 0.00 C ATOM 856 CE2 PHE P 49 4.864 2.216 -0.207 1.00 0.00 C ATOM 857 CZ PHE P 49 5.544 2.091 -1.428 1.00 0.00 C ATOM 0 H PHE P 49 6.483 0.893 3.773 1.00 0.00 H new ATOM 0 HA PHE P 49 8.541 0.420 1.895 1.00 0.00 H new ATOM 0 HB2 PHE P 49 7.146 2.821 3.047 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.620 3.075 2.134 1.00 0.00 H new ATOM 0 HD1 PHE P 49 8.753 2.191 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE P 49 5.062 2.428 1.931 1.00 0.00 H new ATOM 0 HE1 PHE P 49 7.472 2.021 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE P 49 3.784 2.228 -0.189 1.00 0.00 H new ATOM 0 HZ PHE P 49 4.987 1.992 -2.348 1.00 0.00 H new ATOM 867 N LYS P 50 9.598 1.447 4.849 1.00 0.00 N ATOM 868 CA LYS P 50 10.789 1.481 5.715 1.00 0.00 C ATOM 869 C LYS P 50 11.522 0.134 5.722 1.00 0.00 C ATOM 870 O LYS P 50 12.732 0.101 5.504 1.00 0.00 O ATOM 871 CB LYS P 50 10.380 1.940 7.126 1.00 0.00 C ATOM 872 CG LYS P 50 11.594 2.153 8.044 1.00 0.00 C ATOM 873 CD LYS P 50 11.163 2.683 9.418 1.00 0.00 C ATOM 874 CE LYS P 50 12.394 2.892 10.309 1.00 0.00 C ATOM 875 NZ LYS P 50 12.019 3.419 11.649 1.00 0.00 N ATOM 0 H LYS P 50 8.727 1.625 5.349 1.00 0.00 H new ATOM 0 HA LYS P 50 11.502 2.202 5.316 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.814 2.869 7.054 1.00 0.00 H new ATOM 0 HB3 LYS P 50 9.717 1.197 7.570 1.00 0.00 H new ATOM 0 HG2 LYS P 50 12.131 1.212 8.166 1.00 0.00 H new ATOM 0 HG3 LYS P 50 12.285 2.857 7.580 1.00 0.00 H new ATOM 0 HD2 LYS P 50 10.624 3.623 9.302 1.00 0.00 H new ATOM 0 HD3 LYS P 50 10.477 1.979 9.890 1.00 0.00 H new ATOM 0 HE2 LYS P 50 12.924 1.947 10.425 1.00 0.00 H new ATOM 0 HE3 LYS P 50 13.081 3.586 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 12.876 3.548 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 11.535 4.333 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 11.383 2.745 12.122 1.00 0.00 H new ATOM 889 N ASN P 51 10.800 -0.977 5.889 1.00 0.00 N ATOM 890 CA ASN P 51 11.371 -2.330 5.831 1.00 0.00 C ATOM 891 C ASN P 51 11.908 -2.671 4.431 1.00 0.00 C ATOM 892 O ASN P 51 13.026 -3.173 4.313 1.00 0.00 O ATOM 893 CB ASN P 51 10.327 -3.364 6.294 1.00 0.00 C ATOM 894 CG ASN P 51 10.292 -3.506 7.805 1.00 0.00 C ATOM 895 OD1 ASN P 51 10.966 -4.345 8.384 1.00 0.00 O ATOM 896 ND2 ASN P 51 9.532 -2.685 8.491 1.00 0.00 N ATOM 0 H ASN P 51 9.796 -0.966 6.070 1.00 0.00 H new ATOM 0 HA ASN P 51 12.224 -2.363 6.509 1.00 0.00 H new ATOM 0 HB2 ASN P 51 9.341 -3.068 5.936 1.00 0.00 H new ATOM 0 HB3 ASN P 51 10.552 -4.331 5.845 1.00 0.00 H new ATOM 0 HD21 ASN P 51 9.503 -2.747 9.509 1.00 0.00 H new ATOM 0 HD22 ASN P 51 8.970 -1.985 8.006 1.00 0.00 H new ATOM 903 N ARG P 52 11.158 -2.349 3.370 1.00 0.00 N ATOM 904 CA ARG P 52 11.538 -2.566 1.964 1.00 0.00 C ATOM 905 C ARG P 52 12.863 -1.879 1.627 1.00 0.00 C ATOM 906 O ARG P 52 13.746 -2.515 1.053 1.00 0.00 O ATOM 907 CB ARG P 52 10.381 -2.072 1.070 1.00 0.00 C ATOM 908 CG ARG P 52 10.587 -2.267 -0.439 1.00 0.00 C ATOM 909 CD ARG P 52 10.568 -3.738 -0.864 1.00 0.00 C ATOM 910 NE ARG P 52 10.680 -3.861 -2.329 1.00 0.00 N ATOM 911 CZ ARG P 52 10.301 -4.889 -3.065 1.00 0.00 C ATOM 912 NH1 ARG P 52 9.730 -5.951 -2.579 1.00 0.00 N ATOM 913 NH2 ARG P 52 10.484 -4.904 -4.348 1.00 0.00 N ATOM 0 H ARG P 52 10.240 -1.916 3.467 1.00 0.00 H new ATOM 0 HA ARG P 52 11.702 -3.628 1.784 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.469 -2.591 1.365 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.222 -1.011 1.264 1.00 0.00 H new ATOM 0 HG2 ARG P 52 9.807 -1.729 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG P 52 11.539 -1.824 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG P 52 11.390 -4.270 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG P 52 9.645 -4.207 -0.525 1.00 0.00 H new ATOM 0 HE ARG P 52 11.093 -3.071 -2.824 1.00 0.00 H new ATOM 0 HH11 ARG P 52 9.553 -6.021 -1.577 1.00 0.00 H new ATOM 0 HH12 ARG P 52 9.459 -6.714 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG P 52 10.929 -4.110 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG P 52 10.183 -5.709 -4.897 1.00 0.00 H new ATOM 927 N ARG P 53 13.038 -0.616 2.039 1.00 0.00 N ATOM 928 CA ARG P 53 14.285 0.148 1.845 1.00 0.00 C ATOM 929 C ARG P 53 15.425 -0.361 2.732 1.00 0.00 C ATOM 930 O ARG P 53 16.537 -0.540 2.236 1.00 0.00 O ATOM 931 CB ARG P 53 14.003 1.644 2.061 1.00 0.00 C ATOM 932 CG ARG P 53 15.170 2.514 1.568 1.00 0.00 C ATOM 933 CD ARG P 53 14.852 4.005 1.734 1.00 0.00 C ATOM 934 NE ARG P 53 15.885 4.852 1.101 1.00 0.00 N ATOM 935 CZ ARG P 53 15.951 5.199 -0.173 1.00 0.00 C ATOM 936 NH1 ARG P 53 15.093 4.781 -1.058 1.00 0.00 N ATOM 937 NH2 ARG P 53 16.887 5.991 -0.604 1.00 0.00 N ATOM 0 H ARG P 53 12.312 -0.087 2.522 1.00 0.00 H new ATOM 0 HA ARG P 53 14.627 0.000 0.821 1.00 0.00 H new ATOM 0 HB2 ARG P 53 13.091 1.923 1.533 1.00 0.00 H new ATOM 0 HB3 ARG P 53 13.829 1.833 3.120 1.00 0.00 H new ATOM 0 HG2 ARG P 53 16.073 2.267 2.126 1.00 0.00 H new ATOM 0 HG3 ARG P 53 15.373 2.296 0.519 1.00 0.00 H new ATOM 0 HD2 ARG P 53 13.880 4.222 1.291 1.00 0.00 H new ATOM 0 HD3 ARG P 53 14.781 4.247 2.794 1.00 0.00 H new ATOM 0 HE ARG P 53 16.623 5.205 1.710 1.00 0.00 H new ATOM 0 HH11 ARG P 53 14.333 4.161 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG P 53 15.181 5.073 -2.031 1.00 0.00 H new ATOM 0 HH21 ARG P 53 17.586 6.355 0.044 1.00 0.00 H new ATOM 0 HH22 ARG P 53 16.923 6.249 -1.590 1.00 0.00 H new ATOM 951 N ALA P 54 15.159 -0.652 4.005 1.00 0.00 N ATOM 952 CA ALA P 54 16.170 -1.145 4.944 1.00 0.00 C ATOM 953 C ALA P 54 16.753 -2.504 4.515 1.00 0.00 C ATOM 954 O ALA P 54 17.974 -2.654 4.471 1.00 0.00 O ATOM 955 CB ALA P 54 15.559 -1.208 6.349 1.00 0.00 C ATOM 0 H ALA P 54 14.231 -0.552 4.417 1.00 0.00 H new ATOM 0 HA ALA P 54 17.010 -0.450 4.948 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.305 -1.574 7.054 1.00 0.00 H new ATOM 0 HB2 ALA P 54 15.234 -0.212 6.649 1.00 0.00 H new ATOM 0 HB3 ALA P 54 14.703 -1.883 6.344 1.00 0.00 H new ATOM 961 N LYS P 55 15.900 -3.466 4.131 1.00 0.00 N ATOM 962 CA LYS P 55 16.306 -4.814 3.681 1.00 0.00 C ATOM 963 C LYS P 55 16.931 -4.824 2.278 1.00 0.00 C ATOM 964 O LYS P 55 17.692 -5.737 1.955 1.00 0.00 O ATOM 965 CB LYS P 55 15.110 -5.779 3.772 1.00 0.00 C ATOM 966 CG LYS P 55 14.629 -5.979 5.222 1.00 0.00 C ATOM 967 CD LYS P 55 13.455 -6.969 5.283 1.00 0.00 C ATOM 968 CE LYS P 55 12.765 -7.003 6.655 1.00 0.00 C ATOM 969 NZ LYS P 55 13.672 -7.444 7.746 1.00 0.00 N ATOM 0 H LYS P 55 14.889 -3.330 4.123 1.00 0.00 H new ATOM 0 HA LYS P 55 17.094 -5.155 4.353 1.00 0.00 H new ATOM 0 HB2 LYS P 55 14.288 -5.393 3.169 1.00 0.00 H new ATOM 0 HB3 LYS P 55 15.391 -6.743 3.348 1.00 0.00 H new ATOM 0 HG2 LYS P 55 15.452 -6.348 5.834 1.00 0.00 H new ATOM 0 HG3 LYS P 55 14.323 -5.021 5.643 1.00 0.00 H new ATOM 0 HD2 LYS P 55 12.723 -6.702 4.521 1.00 0.00 H new ATOM 0 HD3 LYS P 55 13.817 -7.968 5.040 1.00 0.00 H new ATOM 0 HE2 LYS P 55 12.381 -6.010 6.888 1.00 0.00 H new ATOM 0 HE3 LYS P 55 11.907 -7.674 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 13.127 -7.562 8.624 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 14.112 -8.350 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 14.413 -6.729 7.892 1.00 0.00 H new ATOM 983 N TRP P 56 16.661 -3.803 1.458 1.00 0.00 N ATOM 984 CA TRP P 56 17.352 -3.558 0.184 1.00 0.00 C ATOM 985 C TRP P 56 18.773 -3.009 0.407 1.00 0.00 C ATOM 986 O TRP P 56 19.738 -3.548 -0.144 1.00 0.00 O ATOM 987 CB TRP P 56 16.504 -2.602 -0.672 1.00 0.00 C ATOM 988 CG TRP P 56 17.208 -1.944 -1.820 1.00 0.00 C ATOM 989 CD1 TRP P 56 17.544 -2.536 -2.989 1.00 0.00 C ATOM 990 CD2 TRP P 56 17.684 -0.565 -1.921 1.00 0.00 C ATOM 991 NE1 TRP P 56 18.194 -1.623 -3.800 1.00 0.00 N ATOM 992 CE2 TRP P 56 18.308 -0.392 -3.192 1.00 0.00 C ATOM 993 CE3 TRP P 56 17.646 0.563 -1.069 1.00 0.00 C ATOM 994 CZ2 TRP P 56 18.866 0.831 -3.596 1.00 0.00 C ATOM 995 CZ3 TRP P 56 18.203 1.797 -1.463 1.00 0.00 C ATOM 996 CH2 TRP P 56 18.816 1.932 -2.722 1.00 0.00 C ATOM 0 H TRP P 56 15.942 -3.109 1.664 1.00 0.00 H new ATOM 0 HA TRP P 56 17.467 -4.503 -0.346 1.00 0.00 H new ATOM 0 HB2 TRP P 56 15.652 -3.157 -1.065 1.00 0.00 H new ATOM 0 HB3 TRP P 56 16.105 -1.823 -0.023 1.00 0.00 H new ATOM 0 HD1 TRP P 56 17.337 -3.563 -3.249 1.00 0.00 H new ATOM 0 HE1 TRP P 56 18.546 -1.835 -4.734 1.00 0.00 H new ATOM 0 HE3 TRP P 56 17.181 0.478 -0.098 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 19.329 0.926 -4.567 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 18.159 2.644 -0.794 1.00 0.00 H new ATOM 0 HH2 TRP P 56 19.247 2.878 -3.016 1.00 0.00 H new ATOM 1007 N ARG P 57 18.919 -1.975 1.248 1.00 0.00 N ATOM 1008 CA ARG P 57 20.193 -1.269 1.480 1.00 0.00 C ATOM 1009 C ARG P 57 21.168 -2.040 2.382 1.00 0.00 C ATOM 1010 O ARG P 57 22.379 -1.974 2.163 1.00 0.00 O ATOM 1011 CB ARG P 57 19.876 0.131 2.033 1.00 0.00 C ATOM 1012 CG ARG P 57 21.098 1.061 2.026 1.00 0.00 C ATOM 1013 CD ARG P 57 20.696 2.492 2.408 1.00 0.00 C ATOM 1014 NE ARG P 57 21.853 3.409 2.389 1.00 0.00 N ATOM 1015 CZ ARG P 57 22.380 4.018 1.339 1.00 0.00 C ATOM 1016 NH1 ARG P 57 21.920 3.852 0.130 1.00 0.00 N ATOM 1017 NH2 ARG P 57 23.396 4.818 1.487 1.00 0.00 N ATOM 0 H ARG P 57 18.145 -1.598 1.796 1.00 0.00 H new ATOM 0 HA ARG P 57 20.717 -1.184 0.528 1.00 0.00 H new ATOM 0 HB2 ARG P 57 19.079 0.580 1.440 1.00 0.00 H new ATOM 0 HB3 ARG P 57 19.501 0.038 3.052 1.00 0.00 H new ATOM 0 HG2 ARG P 57 21.847 0.690 2.725 1.00 0.00 H new ATOM 0 HG3 ARG P 57 21.557 1.059 1.037 1.00 0.00 H new ATOM 0 HD2 ARG P 57 19.935 2.853 1.716 1.00 0.00 H new ATOM 0 HD3 ARG P 57 20.249 2.491 3.402 1.00 0.00 H new ATOM 0 HE ARG P 57 22.297 3.594 3.288 1.00 0.00 H new ATOM 0 HH11 ARG P 57 21.125 3.234 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG P 57 22.355 4.340 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG P 57 23.789 4.977 2.415 1.00 0.00 H new ATOM 0 HH22 ARG P 57 23.799 5.286 0.675 1.00 0.00 H new ATOM 1031 N LYS P 58 20.651 -2.771 3.375 1.00 0.00 N ATOM 1032 CA LYS P 58 21.404 -3.532 4.392 1.00 0.00 C ATOM 1033 C LYS P 58 20.797 -4.922 4.625 1.00 0.00 C ATOM 1034 O LYS P 58 19.673 -5.203 4.208 1.00 0.00 O ATOM 1035 CB LYS P 58 21.435 -2.738 5.716 1.00 0.00 C ATOM 1036 CG LYS P 58 22.170 -1.392 5.602 1.00 0.00 C ATOM 1037 CD LYS P 58 22.278 -0.706 6.970 1.00 0.00 C ATOM 1038 CE LYS P 58 23.018 0.631 6.833 1.00 0.00 C ATOM 1039 NZ LYS P 58 23.160 1.313 8.146 1.00 0.00 N ATOM 0 H LYS P 58 19.643 -2.856 3.503 1.00 0.00 H new ATOM 0 HA LYS P 58 22.420 -3.674 4.024 1.00 0.00 H new ATOM 0 HB2 LYS P 58 20.412 -2.558 6.048 1.00 0.00 H new ATOM 0 HB3 LYS P 58 21.917 -3.343 6.483 1.00 0.00 H new ATOM 0 HG2 LYS P 58 23.167 -1.552 5.192 1.00 0.00 H new ATOM 0 HG3 LYS P 58 21.640 -0.742 4.906 1.00 0.00 H new ATOM 0 HD2 LYS P 58 21.282 -0.539 7.381 1.00 0.00 H new ATOM 0 HD3 LYS P 58 22.807 -1.353 7.669 1.00 0.00 H new ATOM 0 HE2 LYS P 58 24.005 0.459 6.403 1.00 0.00 H new ATOM 0 HE3 LYS P 58 22.477 1.278 6.142 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 23.665 2.213 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 22.217 1.498 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 23.698 0.705 8.797 1.00 0.00 H new ATOM 1053 N ARG P 59 21.537 -5.797 5.312 1.00 0.00 N ATOM 1054 CA ARG P 59 21.040 -7.094 5.815 1.00 0.00 C ATOM 1055 C ARG P 59 20.493 -6.955 7.242 1.00 0.00 C ATOM 1056 O ARG P 59 20.870 -6.042 7.976 1.00 0.00 O ATOM 1057 CB ARG P 59 22.138 -8.170 5.705 1.00 0.00 C ATOM 1058 CG ARG P 59 22.727 -8.378 4.294 1.00 0.00 C ATOM 1059 CD ARG P 59 21.727 -8.844 3.218 1.00 0.00 C ATOM 1060 NE ARG P 59 20.920 -7.745 2.642 1.00 0.00 N ATOM 1061 CZ ARG P 59 21.269 -6.896 1.691 1.00 0.00 C ATOM 1062 NH1 ARG P 59 22.449 -6.904 1.138 1.00 0.00 N ATOM 1063 NH2 ARG P 59 20.419 -6.005 1.281 1.00 0.00 N ATOM 0 H ARG P 59 22.516 -5.627 5.542 1.00 0.00 H new ATOM 0 HA ARG P 59 20.207 -7.419 5.192 1.00 0.00 H new ATOM 0 HB2 ARG P 59 22.950 -7.906 6.383 1.00 0.00 H new ATOM 0 HB3 ARG P 59 21.728 -9.119 6.052 1.00 0.00 H new ATOM 0 HG2 ARG P 59 23.176 -7.441 3.965 1.00 0.00 H new ATOM 0 HG3 ARG P 59 23.531 -9.111 4.360 1.00 0.00 H new ATOM 0 HD2 ARG P 59 22.274 -9.340 2.416 1.00 0.00 H new ATOM 0 HD3 ARG P 59 21.057 -9.586 3.653 1.00 0.00 H new ATOM 0 HE ARG P 59 19.982 -7.629 3.025 1.00 0.00 H new ATOM 0 HH11 ARG P 59 23.147 -7.585 1.436 1.00 0.00 H new ATOM 0 HH12 ARG P 59 22.674 -6.229 0.407 1.00 0.00 H new ATOM 0 HH21 ARG P 59 19.487 -5.962 1.692 1.00 0.00 H new ATOM 0 HH22 ARG P 59 20.683 -5.347 0.547 1.00 0.00 H new ATOM 1077 N GLU P 60 19.597 -7.860 7.632 1.00 0.00 N ATOM 1078 CA GLU P 60 18.875 -7.809 8.918 1.00 0.00 C ATOM 1079 C GLU P 60 19.637 -8.413 10.119 1.00 0.00 C ATOM 1080 O GLU P 60 19.177 -8.312 11.259 1.00 0.00 O ATOM 1081 CB GLU P 60 17.465 -8.400 8.754 1.00 0.00 C ATOM 1082 CG GLU P 60 17.443 -9.887 8.360 1.00 0.00 C ATOM 1083 CD GLU P 60 16.003 -10.437 8.307 1.00 0.00 C ATOM 1084 OE1 GLU P 60 15.127 -9.798 7.672 1.00 0.00 O ATOM 1085 OE2 GLU P 60 15.736 -11.513 8.897 1.00 0.00 O ATOM 0 H GLU P 60 19.343 -8.665 7.060 1.00 0.00 H new ATOM 0 HA GLU P 60 18.790 -6.754 9.180 1.00 0.00 H new ATOM 0 HB2 GLU P 60 16.921 -8.276 9.690 1.00 0.00 H new ATOM 0 HB3 GLU P 60 16.930 -7.828 7.996 1.00 0.00 H new ATOM 0 HG2 GLU P 60 17.918 -10.014 7.387 1.00 0.00 H new ATOM 0 HG3 GLU P 60 18.027 -10.463 9.077 1.00 0.00 H new ATOM 1092 N GLU P 61 20.811 -9.011 9.896 1.00 0.00 N ATOM 1093 CA GLU P 61 21.724 -9.447 10.964 1.00 0.00 C ATOM 1094 C GLU P 61 22.414 -8.239 11.636 1.00 0.00 C ATOM 1095 O GLU P 61 22.840 -7.299 10.958 1.00 0.00 O ATOM 1096 CB GLU P 61 22.742 -10.448 10.388 1.00 0.00 C ATOM 1097 CG GLU P 61 23.639 -11.073 11.465 1.00 0.00 C ATOM 1098 CD GLU P 61 24.557 -12.153 10.859 1.00 0.00 C ATOM 1099 OE1 GLU P 61 25.666 -11.815 10.376 1.00 0.00 O ATOM 1100 OE2 GLU P 61 24.180 -13.352 10.868 1.00 0.00 O ATOM 0 H GLU P 61 21.161 -9.210 8.959 1.00 0.00 H new ATOM 0 HA GLU P 61 21.152 -9.949 11.744 1.00 0.00 H new ATOM 0 HB2 GLU P 61 22.208 -11.240 9.862 1.00 0.00 H new ATOM 0 HB3 GLU P 61 23.366 -9.941 9.652 1.00 0.00 H new ATOM 0 HG2 GLU P 61 24.244 -10.298 11.935 1.00 0.00 H new ATOM 0 HG3 GLU P 61 23.021 -11.513 12.248 1.00 0.00 H new ATOM 1107 N PHE P 62 22.536 -8.263 12.969 1.00 0.00 N ATOM 1108 CA PHE P 62 23.100 -7.172 13.779 1.00 0.00 C ATOM 1109 C PHE P 62 23.934 -7.681 14.970 1.00 0.00 C ATOM 1110 O PHE P 62 23.898 -8.865 15.320 1.00 0.00 O ATOM 1111 CB PHE P 62 21.962 -6.244 14.248 1.00 0.00 C ATOM 1112 CG PHE P 62 21.050 -6.828 15.315 1.00 0.00 C ATOM 1113 CD1 PHE P 62 19.954 -7.634 14.949 1.00 0.00 C ATOM 1114 CD2 PHE P 62 21.297 -6.568 16.679 1.00 0.00 C ATOM 1115 CE1 PHE P 62 19.118 -8.183 15.938 1.00 0.00 C ATOM 1116 CE2 PHE P 62 20.461 -7.118 17.667 1.00 0.00 C ATOM 1117 CZ PHE P 62 19.372 -7.928 17.297 1.00 0.00 C ATOM 0 H PHE P 62 22.238 -9.061 13.530 1.00 0.00 H new ATOM 0 HA PHE P 62 23.792 -6.611 13.151 1.00 0.00 H new ATOM 0 HB2 PHE P 62 22.401 -5.323 14.632 1.00 0.00 H new ATOM 0 HB3 PHE P 62 21.356 -5.973 13.383 1.00 0.00 H new ATOM 0 HD1 PHE P 62 19.755 -7.831 13.906 1.00 0.00 H new ATOM 0 HD2 PHE P 62 22.131 -5.944 16.966 1.00 0.00 H new ATOM 0 HE1 PHE P 62 18.280 -8.801 15.653 1.00 0.00 H new ATOM 0 HE2 PHE P 62 20.655 -6.918 18.710 1.00 0.00 H new ATOM 0 HZ PHE P 62 18.732 -8.353 18.056 1.00 0.00 H new ATOM 1127 N ILE P 63 24.676 -6.768 15.605 1.00 0.00 N ATOM 1128 CA ILE P 63 25.466 -6.997 16.827 1.00 0.00 C ATOM 1129 C ILE P 63 25.377 -5.775 17.763 1.00 0.00 C ATOM 1130 O ILE P 63 25.136 -4.652 17.314 1.00 0.00 O ATOM 1131 CB ILE P 63 26.921 -7.384 16.450 1.00 0.00 C ATOM 1132 CG1 ILE P 63 27.787 -7.870 17.634 1.00 0.00 C ATOM 1133 CG2 ILE P 63 27.659 -6.238 15.734 1.00 0.00 C ATOM 1134 CD1 ILE P 63 27.226 -9.100 18.359 1.00 0.00 C ATOM 0 H ILE P 63 24.748 -5.807 15.270 1.00 0.00 H new ATOM 0 HA ILE P 63 25.053 -7.837 17.386 1.00 0.00 H new ATOM 0 HB ILE P 63 26.794 -8.229 15.773 1.00 0.00 H new ATOM 0 HG12 ILE P 63 28.787 -8.103 17.267 1.00 0.00 H new ATOM 0 HG13 ILE P 63 27.892 -7.056 18.351 1.00 0.00 H new ATOM 0 HG21 ILE P 63 28.673 -6.555 15.490 1.00 0.00 H new ATOM 0 HG22 ILE P 63 27.129 -5.980 14.817 1.00 0.00 H new ATOM 0 HG23 ILE P 63 27.699 -5.366 16.387 1.00 0.00 H new ATOM 0 HD11 ILE P 63 27.893 -9.376 19.176 1.00 0.00 H new ATOM 0 HD12 ILE P 63 26.239 -8.868 18.759 1.00 0.00 H new ATOM 0 HD13 ILE P 63 27.147 -9.931 17.658 1.00 0.00 H new ATOM 1146 N VAL P 64 25.556 -5.988 19.071 1.00 0.00 N ATOM 1147 CA VAL P 64 25.414 -4.948 20.116 1.00 0.00 C ATOM 1148 C VAL P 64 26.621 -4.002 20.245 1.00 0.00 C ATOM 1149 O VAL P 64 26.528 -2.976 20.922 1.00 0.00 O ATOM 1150 CB VAL P 64 25.080 -5.577 21.486 1.00 0.00 C ATOM 1151 CG1 VAL P 64 23.738 -6.319 21.441 1.00 0.00 C ATOM 1152 CG2 VAL P 64 26.164 -6.545 21.985 1.00 0.00 C ATOM 0 H VAL P 64 25.808 -6.902 19.448 1.00 0.00 H new ATOM 0 HA VAL P 64 24.582 -4.328 19.783 1.00 0.00 H new ATOM 0 HB VAL P 64 25.024 -4.743 22.185 1.00 0.00 H new ATOM 0 HG11 VAL P 64 23.529 -6.752 22.419 1.00 0.00 H new ATOM 0 HG12 VAL P 64 22.945 -5.620 21.176 1.00 0.00 H new ATOM 0 HG13 VAL P 64 23.786 -7.113 20.696 1.00 0.00 H new ATOM 0 HG21 VAL P 64 25.870 -6.953 22.952 1.00 0.00 H new ATOM 0 HG22 VAL P 64 26.283 -7.358 21.269 1.00 0.00 H new ATOM 0 HG23 VAL P 64 27.109 -6.011 22.089 1.00 0.00 H new ATOM 1162 N THR P 65 27.753 -4.324 19.613 1.00 0.00 N ATOM 1163 CA THR P 65 29.003 -3.542 19.666 1.00 0.00 C ATOM 1164 C THR P 65 29.001 -2.339 18.711 1.00 0.00 C ATOM 1165 O THR P 65 28.367 -2.365 17.652 1.00 0.00 O ATOM 1166 CB THR P 65 30.229 -4.434 19.392 1.00 0.00 C ATOM 1167 OG1 THR P 65 30.069 -5.186 18.205 1.00 0.00 O ATOM 1168 CG2 THR P 65 30.452 -5.438 20.525 1.00 0.00 C ATOM 0 H THR P 65 27.833 -5.159 19.032 1.00 0.00 H new ATOM 0 HA THR P 65 29.067 -3.147 20.680 1.00 0.00 H new ATOM 0 HB THR P 65 31.078 -3.756 19.304 1.00 0.00 H new ATOM 0 HG1 THR P 65 30.864 -5.740 18.059 1.00 0.00 H new ATOM 0 HG21 THR P 65 31.324 -6.052 20.301 1.00 0.00 H new ATOM 0 HG22 THR P 65 30.616 -4.901 21.459 1.00 0.00 H new ATOM 0 HG23 THR P 65 29.574 -6.077 20.623 1.00 0.00 H new ATOM 1176 N ASP P 66 29.732 -1.278 19.077 1.00 0.00 N ATOM 1177 CA ASP P 66 29.910 -0.049 18.275 1.00 0.00 C ATOM 1178 C ASP P 66 30.897 -0.218 17.097 1.00 0.00 C ATOM 1179 O ASP P 66 31.998 -0.784 17.299 1.00 0.00 O ATOM 1180 CB ASP P 66 30.331 1.106 19.203 1.00 0.00 C ATOM 1181 CG ASP P 66 30.482 2.455 18.463 1.00 0.00 C ATOM 1182 OD1 ASP P 66 29.447 3.076 18.112 1.00 0.00 O ATOM 1183 OD2 ASP P 66 31.633 2.920 18.263 1.00 0.00 O ATOM 1184 OXT ASP P 66 30.562 0.219 15.973 1.00 0.00 O ATOM 0 H ASP P 66 30.233 -1.245 19.965 1.00 0.00 H new ATOM 0 HA ASP P 66 28.951 0.182 17.811 1.00 0.00 H new ATOM 0 HB2 ASP P 66 29.591 1.215 19.996 1.00 0.00 H new ATOM 0 HB3 ASP P 66 31.277 0.853 19.682 1.00 0.00 H new TER 1189 ASP P 66