USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ -137:sc= 2.55 (180deg=-0.33) USER MOD Set 1.2: A 50 GLN : amide:sc= 1.03 K(o=3.6,f=-4.7!) USER MOD Set 2.1: A 41 THR OG1 : rot -57:sc= 1.17 USER MOD Set 2.2: A 44 GLN : amide:sc= 1.96 K(o=3.1,f=-2.8!) USER MOD Set 3.1: A 9 THR OG1 : rot -67:sc= 0.22 USER MOD Set 3.2: A 12 GLN : amide:sc= -0.981! C(o=-0.76!,f=-4.3!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -120:sc= 0.259 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 144:sc= 1.17 (180deg=0.343) USER MOD Single : A 6 GLN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.431 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -39:sc= 0.286 USER MOD Single : A 13 THR OG1 : rot -67:sc= 0.504 USER MOD Single : A 18 LYS NZ :NH3+ -109:sc= -0.37 (180deg=-0.816) USER MOD Single : A 21 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.09) USER MOD Single : A 23 ASN : amide:sc= 0.887 K(o=0.89,f=-6.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00046 USER MOD Single : A 36 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.24) USER MOD Single : A 39 CYS SG : rot -5:sc= 0.214 USER MOD Single : A 51 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 54 MET CE :methyl -169:sc= 0 (180deg=-0.143) USER MOD Single : A 55 LYS NZ :NH3+ 132:sc= 1.13 (180deg=0.941) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0145 (180deg=-0.242) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc=-0.00769 (180deg=-0.12) USER MOD Single : A 60 ASN : amide:sc= 1.14 K(o=1.1,f=-0.089) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 28:sc= 0.524 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 1.09 (180deg=0.737) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.250 -7.745 27.649 1.00 16.87 N ATOM 2 CA MET A 0 -1.623 -7.214 27.694 1.00 15.96 C ATOM 3 C MET A 0 -1.581 -5.962 28.567 1.00 15.19 C ATOM 4 O MET A 0 -0.466 -5.532 28.856 1.00 15.33 O ATOM 5 CB MET A 0 -2.628 -8.291 28.151 1.00 16.44 C ATOM 6 CG MET A 0 -3.602 -8.630 27.015 1.00 16.39 C ATOM 7 SD MET A 0 -4.739 -7.295 26.561 1.00 15.47 S ATOM 8 CE MET A 0 -5.961 -7.451 27.884 1.00 16.32 C ATOM 0 H1 MET A 0 0.083 -7.763 26.664 1.00 16.87 H new ATOM 0 H2 MET A 0 0.376 -7.137 28.215 1.00 16.87 H new ATOM 0 H3 MET A 0 -0.238 -8.710 28.037 1.00 16.87 H new ATOM 0 HA MET A 0 -1.987 -6.932 26.706 1.00 15.96 H new ATOM 0 HB2 MET A 0 -2.093 -9.189 28.460 1.00 16.44 H new ATOM 0 HB3 MET A 0 -3.182 -7.935 29.020 1.00 16.44 H new ATOM 0 HG2 MET A 0 -3.026 -8.912 26.134 1.00 16.39 H new ATOM 0 HG3 MET A 0 -4.187 -9.503 27.306 1.00 16.39 H new ATOM 0 HE1 MET A 0 -6.737 -6.697 27.753 1.00 16.32 H new ATOM 0 HE2 MET A 0 -6.410 -8.444 27.849 1.00 16.32 H new ATOM 0 HE3 MET A 0 -5.474 -7.307 28.848 1.00 16.32 H new ATOM 20 N ARG A 1 -2.731 -5.384 28.937 1.00 14.86 N ATOM 21 CA ARG A 1 -2.830 -4.025 29.477 1.00 14.46 C ATOM 22 C ARG A 1 -2.390 -3.004 28.414 1.00 13.05 C ATOM 23 O ARG A 1 -1.955 -3.383 27.329 1.00 12.36 O ATOM 24 CB ARG A 1 -2.067 -3.851 30.812 1.00 15.87 C ATOM 25 CG ARG A 1 -2.891 -4.172 32.065 1.00 17.15 C ATOM 26 CD ARG A 1 -3.456 -5.600 32.070 1.00 18.01 C ATOM 27 NE ARG A 1 -3.723 -6.088 33.436 1.00 19.36 N ATOM 28 CZ ARG A 1 -4.669 -5.635 34.279 1.00 20.08 C ATOM 29 NH1 ARG A 1 -5.501 -4.664 33.893 1.00 20.00 N ATOM 30 NH2 ARG A 1 -4.775 -6.159 35.506 1.00 21.12 N ATOM 0 H ARG A 1 -3.632 -5.856 28.868 1.00 14.86 H new ATOM 0 HA ARG A 1 -3.876 -3.838 29.720 1.00 14.46 H new ATOM 0 HB2 ARG A 1 -1.186 -4.493 30.798 1.00 15.87 H new ATOM 0 HB3 ARG A 1 -1.711 -2.823 30.881 1.00 15.87 H new ATOM 0 HG2 ARG A 1 -2.267 -4.032 32.948 1.00 17.15 H new ATOM 0 HG3 ARG A 1 -3.715 -3.462 32.142 1.00 17.15 H new ATOM 0 HD2 ARG A 1 -4.378 -5.626 31.490 1.00 18.01 H new ATOM 0 HD3 ARG A 1 -2.751 -6.270 31.578 1.00 18.01 H new ATOM 0 HE ARG A 1 -3.131 -6.846 33.776 1.00 19.36 H new ATOM 0 HH11 ARG A 1 -5.420 -4.265 32.958 1.00 20.00 H new ATOM 0 HH12 ARG A 1 -6.217 -4.322 34.533 1.00 20.00 H new ATOM 0 HH21 ARG A 1 -4.139 -6.900 35.801 1.00 21.12 H new ATOM 0 HH22 ARG A 1 -5.491 -5.817 36.146 1.00 21.12 H new ATOM 44 N LYS A 2 -2.553 -1.713 28.729 1.00 12.99 N ATOM 45 CA LYS A 2 -2.160 -0.581 27.901 1.00 12.12 C ATOM 46 C LYS A 2 -2.646 -0.743 26.449 1.00 10.76 C ATOM 47 O LYS A 2 -1.880 -1.069 25.544 1.00 10.57 O ATOM 48 CB LYS A 2 -0.645 -0.317 28.034 1.00 12.98 C ATOM 49 CG LYS A 2 -0.242 1.149 27.775 1.00 13.28 C ATOM 50 CD LYS A 2 -0.736 1.624 26.405 1.00 13.20 C ATOM 51 CE LYS A 2 -0.379 3.061 26.031 1.00 13.62 C ATOM 52 NZ LYS A 2 -1.007 3.399 24.734 1.00 13.73 N ATOM 0 H LYS A 2 -2.982 -1.423 29.608 1.00 12.99 H new ATOM 0 HA LYS A 2 -2.660 0.317 28.265 1.00 12.12 H new ATOM 0 HB2 LYS A 2 -0.323 -0.601 29.036 1.00 12.98 H new ATOM 0 HB3 LYS A 2 -0.111 -0.960 27.334 1.00 12.98 H new ATOM 0 HG2 LYS A 2 -0.657 1.787 28.556 1.00 13.28 H new ATOM 0 HG3 LYS A 2 0.842 1.246 27.827 1.00 13.28 H new ATOM 0 HD2 LYS A 2 -0.330 0.959 25.643 1.00 13.20 H new ATOM 0 HD3 LYS A 2 -1.821 1.519 26.375 1.00 13.20 H new ATOM 0 HE2 LYS A 2 -0.724 3.747 26.805 1.00 13.62 H new ATOM 0 HE3 LYS A 2 0.703 3.174 25.965 1.00 13.62 H new ATOM 0 HZ1 LYS A 2 -1.309 4.394 24.744 1.00 13.73 H new ATOM 0 HZ2 LYS A 2 -0.320 3.253 23.967 1.00 13.73 H new ATOM 0 HZ3 LYS A 2 -1.834 2.787 24.579 1.00 13.73 H new ATOM 66 N ARG A 3 -3.920 -0.427 26.209 1.00 10.23 N ATOM 67 CA ARG A 3 -4.460 -0.416 24.857 1.00 9.30 C ATOM 68 C ARG A 3 -3.769 0.647 23.978 1.00 8.56 C ATOM 69 O ARG A 3 -3.236 1.660 24.450 1.00 9.04 O ATOM 70 CB ARG A 3 -5.990 -0.248 24.888 1.00 9.83 C ATOM 71 CG ARG A 3 -6.682 -1.446 25.563 1.00 10.43 C ATOM 72 CD ARG A 3 -8.199 -1.239 25.705 1.00 11.33 C ATOM 73 NE ARG A 3 -8.883 -1.085 24.407 1.00 11.57 N ATOM 74 CZ ARG A 3 -9.488 -2.057 23.701 1.00 12.32 C ATOM 75 NH1 ARG A 3 -9.383 -3.335 24.081 1.00 12.90 N ATOM 76 NH2 ARG A 3 -10.198 -1.743 22.610 1.00 12.84 N ATOM 0 H ARG A 3 -4.592 -0.177 26.934 1.00 10.23 H new ATOM 0 HA ARG A 3 -4.247 -1.380 24.395 1.00 9.30 H new ATOM 0 HB2 ARG A 3 -6.245 0.667 25.422 1.00 9.83 H new ATOM 0 HB3 ARG A 3 -6.364 -0.138 23.870 1.00 9.83 H new ATOM 0 HG2 ARG A 3 -6.493 -2.347 24.980 1.00 10.43 H new ATOM 0 HG3 ARG A 3 -6.246 -1.607 26.549 1.00 10.43 H new ATOM 0 HD2 ARG A 3 -8.628 -2.088 26.237 1.00 11.33 H new ATOM 0 HD3 ARG A 3 -8.384 -0.354 26.314 1.00 11.33 H new ATOM 0 HE ARG A 3 -8.899 -0.148 24.005 1.00 11.57 H new ATOM 0 HH11 ARG A 3 -8.842 -3.578 24.911 1.00 12.90 H new ATOM 0 HH12 ARG A 3 -9.844 -4.067 23.541 1.00 12.90 H new ATOM 0 HH21 ARG A 3 -10.279 -0.769 22.317 1.00 12.84 H new ATOM 0 HH22 ARG A 3 -10.658 -2.477 22.072 1.00 12.84 H new ATOM 90 N GLY A 4 -3.779 0.378 22.671 1.00 7.85 N ATOM 91 CA GLY A 4 -3.194 1.214 21.630 1.00 7.41 C ATOM 92 C GLY A 4 -2.624 0.345 20.509 1.00 5.84 C ATOM 93 O GLY A 4 -1.553 0.629 19.975 1.00 5.56 O ATOM 0 H GLY A 4 -4.214 -0.465 22.297 1.00 7.85 H new ATOM 0 HA2 GLY A 4 -3.950 1.888 21.228 1.00 7.41 H new ATOM 0 HA3 GLY A 4 -2.406 1.836 22.054 1.00 7.41 H new ATOM 97 N ARG A 5 -3.329 -0.734 20.156 1.00 5.18 N ATOM 98 CA ARG A 5 -2.897 -1.653 19.117 1.00 3.93 C ATOM 99 C ARG A 5 -3.489 -1.167 17.798 1.00 3.53 C ATOM 100 O ARG A 5 -4.495 -1.701 17.348 1.00 3.74 O ATOM 101 CB ARG A 5 -3.328 -3.084 19.483 1.00 4.32 C ATOM 102 CG ARG A 5 -2.744 -4.168 18.556 1.00 4.36 C ATOM 103 CD ARG A 5 -1.383 -4.700 19.033 1.00 4.36 C ATOM 104 NE ARG A 5 -0.337 -3.663 18.998 1.00 4.15 N ATOM 105 CZ ARG A 5 0.687 -3.538 19.860 1.00 4.63 C ATOM 106 NH1 ARG A 5 0.935 -4.499 20.756 1.00 5.18 N ATOM 107 NH2 ARG A 5 1.456 -2.444 19.824 1.00 5.53 N ATOM 0 H ARG A 5 -4.217 -0.989 20.588 1.00 5.18 H new ATOM 0 HA ARG A 5 -1.812 -1.677 19.018 1.00 3.93 H new ATOM 0 HB2 ARG A 5 -3.023 -3.294 20.508 1.00 4.32 H new ATOM 0 HB3 ARG A 5 -4.416 -3.144 19.455 1.00 4.32 H new ATOM 0 HG2 ARG A 5 -3.448 -4.997 18.488 1.00 4.36 H new ATOM 0 HG3 ARG A 5 -2.636 -3.759 17.552 1.00 4.36 H new ATOM 0 HD2 ARG A 5 -1.480 -5.082 20.049 1.00 4.36 H new ATOM 0 HD3 ARG A 5 -1.082 -5.539 18.405 1.00 4.36 H new ATOM 0 HE ARG A 5 -0.395 -2.974 18.248 1.00 4.15 H new ATOM 0 HH11 ARG A 5 0.346 -5.331 20.787 1.00 5.18 H new ATOM 0 HH12 ARG A 5 1.713 -4.400 21.408 1.00 5.18 H new ATOM 0 HH21 ARG A 5 1.265 -1.708 19.144 1.00 5.53 H new ATOM 0 HH22 ARG A 5 2.234 -2.346 20.476 1.00 5.53 H new ATOM 121 N GLN A 6 -2.866 -0.140 17.213 1.00 3.39 N ATOM 122 CA GLN A 6 -3.246 0.493 15.968 1.00 3.37 C ATOM 123 C GLN A 6 -3.557 -0.549 14.876 1.00 2.39 C ATOM 124 O GLN A 6 -4.723 -0.818 14.603 1.00 2.52 O ATOM 125 CB GLN A 6 -2.077 1.445 15.670 1.00 3.97 C ATOM 126 CG GLN A 6 -2.298 2.454 14.554 1.00 4.46 C ATOM 127 CD GLN A 6 -2.401 1.791 13.190 1.00 4.36 C ATOM 128 OE1 GLN A 6 -1.448 1.175 12.725 1.00 4.76 O ATOM 129 NE2 GLN A 6 -3.585 1.834 12.593 1.00 5.01 N ATOM 0 H GLN A 6 -2.038 0.288 17.627 1.00 3.39 H new ATOM 0 HA GLN A 6 -4.179 1.054 16.016 1.00 3.37 H new ATOM 0 HB2 GLN A 6 -1.839 1.991 16.583 1.00 3.97 H new ATOM 0 HB3 GLN A 6 -1.202 0.845 15.420 1.00 3.97 H new ATOM 0 HG2 GLN A 6 -3.210 3.017 14.752 1.00 4.46 H new ATOM 0 HG3 GLN A 6 -1.476 3.170 14.546 1.00 4.46 H new ATOM 0 HE21 GLN A 6 -4.351 2.359 13.016 1.00 5.01 H new ATOM 0 HE22 GLN A 6 -3.730 1.342 11.711 1.00 5.01 H new ATOM 138 N THR A 7 -2.508 -1.132 14.282 1.00 1.78 N ATOM 139 CA THR A 7 -2.547 -2.139 13.223 1.00 1.39 C ATOM 140 C THR A 7 -3.541 -1.837 12.087 1.00 1.51 C ATOM 141 O THR A 7 -4.010 -0.715 11.910 1.00 2.54 O ATOM 142 CB THR A 7 -2.666 -3.560 13.819 1.00 1.52 C ATOM 143 OG1 THR A 7 -2.349 -4.527 12.834 1.00 2.31 O ATOM 144 CG2 THR A 7 -4.038 -3.887 14.417 1.00 2.11 C ATOM 0 H THR A 7 -1.552 -0.896 14.547 1.00 1.78 H new ATOM 0 HA THR A 7 -1.587 -2.092 12.710 1.00 1.39 H new ATOM 0 HB THR A 7 -1.955 -3.588 14.645 1.00 1.52 H new ATOM 0 HG1 THR A 7 -2.425 -5.424 13.220 1.00 2.31 H new ATOM 0 HG21 THR A 7 -4.030 -4.903 14.811 1.00 2.11 H new ATOM 0 HG22 THR A 7 -4.260 -3.187 15.222 1.00 2.11 H new ATOM 0 HG23 THR A 7 -4.801 -3.804 13.643 1.00 2.11 H new ATOM 152 N TYR A 8 -3.826 -2.850 11.270 1.00 0.85 N ATOM 153 CA TYR A 8 -4.790 -2.811 10.184 1.00 0.77 C ATOM 154 C TYR A 8 -5.622 -4.088 10.257 1.00 0.69 C ATOM 155 O TYR A 8 -5.234 -5.041 10.933 1.00 0.84 O ATOM 156 CB TYR A 8 -4.054 -2.697 8.839 1.00 0.87 C ATOM 157 CG TYR A 8 -2.957 -1.649 8.807 1.00 1.01 C ATOM 158 CD1 TYR A 8 -3.259 -0.311 9.128 1.00 2.41 C ATOM 159 CD2 TYR A 8 -1.614 -2.048 8.682 1.00 1.58 C ATOM 160 CE1 TYR A 8 -2.224 0.580 9.459 1.00 2.46 C ATOM 161 CE2 TYR A 8 -0.580 -1.129 8.926 1.00 1.65 C ATOM 162 CZ TYR A 8 -0.889 0.174 9.350 1.00 1.23 C ATOM 163 OH TYR A 8 0.108 1.071 9.594 1.00 1.41 O ATOM 0 H TYR A 8 -3.368 -3.758 11.355 1.00 0.85 H new ATOM 0 HA TYR A 8 -5.445 -1.944 10.271 1.00 0.77 H new ATOM 0 HB2 TYR A 8 -3.620 -3.666 8.594 1.00 0.87 H new ATOM 0 HB3 TYR A 8 -4.781 -2.467 8.060 1.00 0.87 H new ATOM 0 HD1 TYR A 8 -4.284 0.029 9.120 1.00 2.41 H new ATOM 0 HD2 TYR A 8 -1.377 -3.063 8.398 1.00 1.58 H new ATOM 0 HE1 TYR A 8 -2.459 1.578 9.798 1.00 2.46 H new ATOM 0 HE2 TYR A 8 0.450 -1.424 8.788 1.00 1.65 H new ATOM 0 HH TYR A 8 0.977 0.634 9.477 1.00 1.41 H new ATOM 173 N THR A 9 -6.758 -4.122 9.564 1.00 0.62 N ATOM 174 CA THR A 9 -7.566 -5.325 9.480 1.00 0.67 C ATOM 175 C THR A 9 -6.999 -6.199 8.369 1.00 0.60 C ATOM 176 O THR A 9 -6.391 -5.703 7.417 1.00 0.52 O ATOM 177 CB THR A 9 -9.056 -4.978 9.320 1.00 0.81 C ATOM 178 OG1 THR A 9 -9.301 -4.187 8.182 1.00 0.93 O ATOM 179 CG2 THR A 9 -9.573 -4.221 10.547 1.00 0.90 C ATOM 0 H THR A 9 -7.136 -3.325 9.053 1.00 0.62 H new ATOM 0 HA THR A 9 -7.519 -5.898 10.406 1.00 0.67 H new ATOM 0 HB THR A 9 -9.579 -5.928 9.210 1.00 0.81 H new ATOM 0 HG1 THR A 9 -8.896 -3.303 8.305 1.00 0.93 H new ATOM 0 HG21 THR A 9 -10.629 -3.986 10.411 1.00 0.90 H new ATOM 0 HG22 THR A 9 -9.450 -4.841 11.435 1.00 0.90 H new ATOM 0 HG23 THR A 9 -9.008 -3.297 10.669 1.00 0.90 H new ATOM 187 N ARG A 10 -7.192 -7.515 8.499 1.00 0.73 N ATOM 188 CA ARG A 10 -6.791 -8.478 7.490 1.00 0.76 C ATOM 189 C ARG A 10 -7.209 -7.982 6.110 1.00 0.71 C ATOM 190 O ARG A 10 -6.395 -7.961 5.193 1.00 0.74 O ATOM 191 CB ARG A 10 -7.413 -9.840 7.834 1.00 0.92 C ATOM 192 CG ARG A 10 -7.164 -10.926 6.790 1.00 0.98 C ATOM 193 CD ARG A 10 -8.184 -10.895 5.647 1.00 1.97 C ATOM 194 NE ARG A 10 -8.408 -12.261 5.174 1.00 2.52 N ATOM 195 CZ ARG A 10 -9.276 -12.617 4.214 1.00 3.89 C ATOM 196 NH1 ARG A 10 -9.971 -11.672 3.569 1.00 4.86 N ATOM 197 NH2 ARG A 10 -9.450 -13.908 3.913 1.00 4.95 N ATOM 0 H ARG A 10 -7.634 -7.937 9.316 1.00 0.73 H new ATOM 0 HA ARG A 10 -5.707 -8.594 7.474 1.00 0.76 H new ATOM 0 HB2 ARG A 10 -7.016 -10.176 8.792 1.00 0.92 H new ATOM 0 HB3 ARG A 10 -8.488 -9.714 7.961 1.00 0.92 H new ATOM 0 HG2 ARG A 10 -6.161 -10.806 6.380 1.00 0.98 H new ATOM 0 HG3 ARG A 10 -7.196 -11.903 7.273 1.00 0.98 H new ATOM 0 HD2 ARG A 10 -9.121 -10.457 5.990 1.00 1.97 H new ATOM 0 HD3 ARG A 10 -7.819 -10.269 4.833 1.00 1.97 H new ATOM 0 HE ARG A 10 -7.860 -13.003 5.609 1.00 2.52 H new ATOM 0 HH11 ARG A 10 -9.839 -10.689 3.808 1.00 4.86 H new ATOM 0 HH12 ARG A 10 -10.632 -11.935 2.838 1.00 4.86 H new ATOM 0 HH21 ARG A 10 -8.923 -14.624 4.413 1.00 4.95 H new ATOM 0 HH22 ARG A 10 -10.110 -14.177 3.183 1.00 4.95 H new ATOM 211 N TYR A 11 -8.474 -7.570 5.973 1.00 0.70 N ATOM 212 CA TYR A 11 -9.027 -7.148 4.688 1.00 0.77 C ATOM 213 C TYR A 11 -8.260 -5.952 4.117 1.00 0.67 C ATOM 214 O TYR A 11 -7.939 -5.920 2.929 1.00 0.75 O ATOM 215 CB TYR A 11 -10.517 -6.818 4.823 1.00 0.85 C ATOM 216 CG TYR A 11 -11.119 -6.375 3.500 1.00 1.02 C ATOM 217 CD1 TYR A 11 -11.326 -7.322 2.481 1.00 2.48 C ATOM 218 CD2 TYR A 11 -11.243 -5.002 3.208 1.00 1.45 C ATOM 219 CE1 TYR A 11 -11.628 -6.903 1.175 1.00 2.75 C ATOM 220 CE2 TYR A 11 -11.568 -4.585 1.906 1.00 1.44 C ATOM 221 CZ TYR A 11 -11.732 -5.534 0.880 1.00 1.55 C ATOM 222 OH TYR A 11 -12.108 -5.137 -0.366 1.00 1.84 O ATOM 0 H TYR A 11 -9.137 -7.521 6.746 1.00 0.70 H new ATOM 0 HA TYR A 11 -8.918 -7.978 3.990 1.00 0.77 H new ATOM 0 HB2 TYR A 11 -11.051 -7.694 5.190 1.00 0.85 H new ATOM 0 HB3 TYR A 11 -10.649 -6.030 5.564 1.00 0.85 H new ATOM 0 HD1 TYR A 11 -11.252 -8.376 2.704 1.00 2.48 H new ATOM 0 HD2 TYR A 11 -11.088 -4.269 3.986 1.00 1.45 H new ATOM 0 HE1 TYR A 11 -11.781 -7.635 0.396 1.00 2.75 H new ATOM 0 HE2 TYR A 11 -11.692 -3.534 1.692 1.00 1.44 H new ATOM 0 HH TYR A 11 -11.693 -5.721 -1.035 1.00 1.84 H new ATOM 232 N GLN A 12 -7.976 -4.984 4.986 1.00 0.56 N ATOM 233 CA GLN A 12 -7.210 -3.784 4.687 1.00 0.54 C ATOM 234 C GLN A 12 -5.937 -4.179 3.943 1.00 0.45 C ATOM 235 O GLN A 12 -5.738 -3.821 2.783 1.00 0.57 O ATOM 236 CB GLN A 12 -6.904 -3.101 6.026 1.00 0.61 C ATOM 237 CG GLN A 12 -7.012 -1.578 6.072 1.00 1.10 C ATOM 238 CD GLN A 12 -7.175 -1.098 7.522 1.00 1.86 C ATOM 239 OE1 GLN A 12 -7.779 -1.780 8.350 1.00 3.49 O ATOM 240 NE2 GLN A 12 -6.618 0.057 7.873 1.00 1.63 N ATOM 0 H GLN A 12 -8.288 -5.019 5.957 1.00 0.56 H new ATOM 0 HA GLN A 12 -7.759 -3.093 4.047 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -7.580 -3.511 6.777 1.00 0.61 H new ATOM 0 HB3 GLN A 12 -5.892 -3.377 6.323 1.00 0.61 H new ATOM 0 HG2 GLN A 12 -6.121 -1.130 5.632 1.00 1.10 H new ATOM 0 HG3 GLN A 12 -7.863 -1.249 5.475 1.00 1.10 H new ATOM 0 HE21 GLN A 12 -6.120 0.615 7.179 1.00 1.63 H new ATOM 0 HE22 GLN A 12 -6.689 0.386 8.836 1.00 1.63 H new ATOM 249 N THR A 13 -5.103 -4.976 4.617 1.00 0.37 N ATOM 250 CA THR A 13 -3.856 -5.447 4.024 1.00 0.36 C ATOM 251 C THR A 13 -4.157 -6.322 2.804 1.00 0.44 C ATOM 252 O THR A 13 -3.409 -6.263 1.840 1.00 0.47 O ATOM 253 CB THR A 13 -2.972 -6.139 5.087 1.00 0.44 C ATOM 254 OG1 THR A 13 -1.886 -5.298 5.422 1.00 0.48 O ATOM 255 CG2 THR A 13 -2.366 -7.470 4.644 1.00 0.54 C ATOM 0 H THR A 13 -5.270 -5.305 5.568 1.00 0.37 H new ATOM 0 HA THR A 13 -3.273 -4.600 3.662 1.00 0.36 H new ATOM 0 HB THR A 13 -3.642 -6.333 5.924 1.00 0.44 H new ATOM 0 HG1 THR A 13 -1.288 -5.213 4.650 1.00 0.48 H new ATOM 0 HG21 THR A 13 -1.762 -7.882 5.453 1.00 0.54 H new ATOM 0 HG22 THR A 13 -3.165 -8.169 4.395 1.00 0.54 H new ATOM 0 HG23 THR A 13 -1.738 -7.310 3.768 1.00 0.54 H new ATOM 263 N LEU A 14 -5.229 -7.122 2.813 1.00 0.63 N ATOM 264 CA LEU A 14 -5.589 -7.987 1.693 1.00 0.81 C ATOM 265 C LEU A 14 -5.706 -7.161 0.406 1.00 0.84 C ATOM 266 O LEU A 14 -5.112 -7.507 -0.615 1.00 0.87 O ATOM 267 CB LEU A 14 -6.888 -8.754 2.023 1.00 1.04 C ATOM 268 CG LEU A 14 -7.057 -10.169 1.449 1.00 1.57 C ATOM 269 CD1 LEU A 14 -7.134 -10.174 -0.076 1.00 1.73 C ATOM 270 CD2 LEU A 14 -6.001 -11.158 1.956 1.00 2.65 C ATOM 0 H LEU A 14 -5.872 -7.185 3.603 1.00 0.63 H new ATOM 0 HA LEU A 14 -4.806 -8.727 1.528 1.00 0.81 H new ATOM 0 HB2 LEU A 14 -6.969 -8.822 3.108 1.00 1.04 H new ATOM 0 HB3 LEU A 14 -7.728 -8.151 1.678 1.00 1.04 H new ATOM 0 HG LEU A 14 -8.018 -10.519 1.827 1.00 1.57 H new ATOM 0 HD11 LEU A 14 -7.253 -11.198 -0.431 1.00 1.73 H new ATOM 0 HD12 LEU A 14 -7.986 -9.576 -0.399 1.00 1.73 H new ATOM 0 HD13 LEU A 14 -6.218 -9.752 -0.488 1.00 1.73 H new ATOM 0 HD21 LEU A 14 -6.178 -12.138 1.512 1.00 2.65 H new ATOM 0 HD22 LEU A 14 -5.008 -10.806 1.675 1.00 2.65 H new ATOM 0 HD23 LEU A 14 -6.065 -11.234 3.041 1.00 2.65 H new ATOM 282 N GLU A 15 -6.462 -6.059 0.439 1.00 0.89 N ATOM 283 CA GLU A 15 -6.652 -5.241 -0.754 1.00 1.00 C ATOM 284 C GLU A 15 -5.353 -4.519 -1.148 1.00 0.92 C ATOM 285 O GLU A 15 -4.993 -4.467 -2.324 1.00 0.98 O ATOM 286 CB GLU A 15 -7.825 -4.283 -0.568 1.00 1.11 C ATOM 287 CG GLU A 15 -8.387 -3.796 -1.915 1.00 1.69 C ATOM 288 CD GLU A 15 -9.786 -4.331 -2.179 1.00 2.24 C ATOM 289 OE1 GLU A 15 -9.942 -5.575 -2.163 1.00 3.05 O ATOM 290 OE2 GLU A 15 -10.695 -3.512 -2.391 1.00 3.00 O ATOM 0 H GLU A 15 -6.946 -5.719 1.270 1.00 0.89 H new ATOM 0 HA GLU A 15 -6.904 -5.896 -1.588 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -8.614 -4.780 -0.004 1.00 1.11 H new ATOM 0 HB3 GLU A 15 -7.503 -3.425 0.023 1.00 1.11 H new ATOM 0 HG2 GLU A 15 -8.408 -2.706 -1.926 1.00 1.69 H new ATOM 0 HG3 GLU A 15 -7.722 -4.110 -2.719 1.00 1.69 H new ATOM 297 N LEU A 16 -4.613 -4.043 -0.146 1.00 0.75 N ATOM 298 CA LEU A 16 -3.274 -3.484 -0.303 1.00 0.64 C ATOM 299 C LEU A 16 -2.295 -4.460 -0.990 1.00 0.53 C ATOM 300 O LEU A 16 -1.605 -4.080 -1.936 1.00 0.61 O ATOM 301 CB LEU A 16 -2.789 -3.046 1.086 1.00 0.63 C ATOM 302 CG LEU A 16 -2.615 -1.559 1.363 1.00 0.58 C ATOM 303 CD1 LEU A 16 -3.743 -0.630 0.904 1.00 0.63 C ATOM 304 CD2 LEU A 16 -2.386 -1.390 2.871 1.00 0.52 C ATOM 0 H LEU A 16 -4.938 -4.036 0.821 1.00 0.75 H new ATOM 0 HA LEU A 16 -3.313 -2.624 -0.972 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -3.491 -3.439 1.821 1.00 0.63 H new ATOM 0 HB3 LEU A 16 -1.830 -3.531 1.270 1.00 0.63 H new ATOM 0 HG LEU A 16 -1.766 -1.244 0.756 1.00 0.58 H new ATOM 0 HD11 LEU A 16 -3.494 0.399 1.161 1.00 0.63 H new ATOM 0 HD12 LEU A 16 -3.867 -0.714 -0.176 1.00 0.63 H new ATOM 0 HD13 LEU A 16 -4.672 -0.913 1.399 1.00 0.63 H new ATOM 0 HD21 LEU A 16 -2.257 -0.333 3.103 1.00 0.52 H new ATOM 0 HD22 LEU A 16 -3.246 -1.779 3.416 1.00 0.52 H new ATOM 0 HD23 LEU A 16 -1.491 -1.938 3.167 1.00 0.52 H new ATOM 316 N GLU A 17 -2.217 -5.722 -0.572 1.00 0.47 N ATOM 317 CA GLU A 17 -1.390 -6.722 -1.222 1.00 0.48 C ATOM 318 C GLU A 17 -1.979 -7.152 -2.583 1.00 0.61 C ATOM 319 O GLU A 17 -1.226 -7.433 -3.515 1.00 0.72 O ATOM 320 CB GLU A 17 -1.113 -7.871 -0.229 1.00 0.60 C ATOM 321 CG GLU A 17 0.354 -7.969 0.217 1.00 1.01 C ATOM 322 CD GLU A 17 0.879 -9.397 0.216 1.00 1.59 C ATOM 323 OE1 GLU A 17 0.248 -10.233 0.898 1.00 1.70 O ATOM 324 OE2 GLU A 17 1.896 -9.616 -0.479 1.00 2.92 O ATOM 0 H GLU A 17 -2.732 -6.076 0.234 1.00 0.47 H new ATOM 0 HA GLU A 17 -0.419 -6.302 -1.486 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -1.742 -7.737 0.651 1.00 0.60 H new ATOM 0 HB3 GLU A 17 -1.406 -8.814 -0.689 1.00 0.60 H new ATOM 0 HG2 GLU A 17 0.971 -7.360 -0.444 1.00 1.01 H new ATOM 0 HG3 GLU A 17 0.452 -7.552 1.219 1.00 1.01 H new ATOM 331 N LYS A 18 -3.306 -7.142 -2.762 1.00 0.66 N ATOM 332 CA LYS A 18 -3.894 -7.292 -4.099 1.00 0.74 C ATOM 333 C LYS A 18 -3.411 -6.205 -5.056 1.00 0.74 C ATOM 334 O LYS A 18 -3.005 -6.504 -6.175 1.00 0.81 O ATOM 335 CB LYS A 18 -5.425 -7.340 -4.045 1.00 0.81 C ATOM 336 CG LYS A 18 -5.897 -8.788 -3.908 1.00 2.10 C ATOM 337 CD LYS A 18 -7.306 -8.916 -3.314 1.00 2.76 C ATOM 338 CE LYS A 18 -8.438 -8.216 -4.085 1.00 2.97 C ATOM 339 NZ LYS A 18 -8.481 -6.758 -3.844 1.00 3.62 N ATOM 0 H LYS A 18 -3.985 -7.033 -2.009 1.00 0.66 H new ATOM 0 HA LYS A 18 -3.549 -8.250 -4.489 1.00 0.74 H new ATOM 0 HB2 LYS A 18 -5.786 -6.750 -3.203 1.00 0.81 H new ATOM 0 HB3 LYS A 18 -5.843 -6.896 -4.948 1.00 0.81 H new ATOM 0 HG2 LYS A 18 -5.880 -9.262 -4.889 1.00 2.10 H new ATOM 0 HG3 LYS A 18 -5.194 -9.333 -3.278 1.00 2.10 H new ATOM 0 HD2 LYS A 18 -7.549 -9.976 -3.237 1.00 2.76 H new ATOM 0 HD3 LYS A 18 -7.287 -8.518 -2.299 1.00 2.76 H new ATOM 0 HE2 LYS A 18 -8.312 -8.399 -5.152 1.00 2.97 H new ATOM 0 HE3 LYS A 18 -9.393 -8.655 -3.797 1.00 2.97 H new ATOM 0 HZ1 LYS A 18 -9.314 -6.526 -3.266 1.00 3.62 H new ATOM 0 HZ2 LYS A 18 -7.619 -6.463 -3.343 1.00 3.62 H new ATOM 0 HZ3 LYS A 18 -8.541 -6.257 -4.754 1.00 3.62 H new ATOM 353 N GLU A 19 -3.397 -4.949 -4.616 1.00 0.69 N ATOM 354 CA GLU A 19 -2.810 -3.892 -5.429 1.00 0.75 C ATOM 355 C GLU A 19 -1.298 -4.091 -5.591 1.00 0.77 C ATOM 356 O GLU A 19 -0.806 -3.933 -6.706 1.00 0.91 O ATOM 357 CB GLU A 19 -3.252 -2.496 -4.966 1.00 0.82 C ATOM 358 CG GLU A 19 -2.132 -1.669 -4.338 1.00 2.08 C ATOM 359 CD GLU A 19 -2.655 -0.345 -3.821 1.00 2.79 C ATOM 360 OE1 GLU A 19 -2.855 0.551 -4.669 1.00 3.18 O ATOM 361 OE2 GLU A 19 -2.789 -0.245 -2.586 1.00 4.09 O ATOM 0 H GLU A 19 -3.777 -4.644 -3.720 1.00 0.69 H new ATOM 0 HA GLU A 19 -3.207 -3.964 -6.442 1.00 0.75 H new ATOM 0 HB2 GLU A 19 -3.657 -1.952 -5.819 1.00 0.82 H new ATOM 0 HB3 GLU A 19 -4.061 -2.603 -4.243 1.00 0.82 H new ATOM 0 HG2 GLU A 19 -1.678 -2.228 -3.520 1.00 2.08 H new ATOM 0 HG3 GLU A 19 -1.350 -1.491 -5.076 1.00 2.08 H new ATOM 368 N PHE A 20 -0.560 -4.496 -4.548 1.00 0.70 N ATOM 369 CA PHE A 20 0.881 -4.748 -4.639 1.00 0.73 C ATOM 370 C PHE A 20 1.288 -5.523 -5.885 1.00 0.68 C ATOM 371 O PHE A 20 2.219 -5.105 -6.579 1.00 0.67 O ATOM 372 CB PHE A 20 1.399 -5.512 -3.414 1.00 0.89 C ATOM 373 CG PHE A 20 2.868 -5.919 -3.433 1.00 1.22 C ATOM 374 CD1 PHE A 20 3.861 -5.058 -3.926 1.00 1.74 C ATOM 375 CD2 PHE A 20 3.249 -7.165 -2.895 1.00 2.74 C ATOM 376 CE1 PHE A 20 5.218 -5.337 -3.695 1.00 1.76 C ATOM 377 CE2 PHE A 20 4.609 -7.463 -2.698 1.00 2.96 C ATOM 378 CZ PHE A 20 5.596 -6.530 -3.064 1.00 1.71 C ATOM 0 H PHE A 20 -0.947 -4.658 -3.618 1.00 0.70 H new ATOM 0 HA PHE A 20 1.330 -3.756 -4.689 1.00 0.73 H new ATOM 0 HB2 PHE A 20 1.228 -4.896 -2.531 1.00 0.89 H new ATOM 0 HB3 PHE A 20 0.798 -6.413 -3.295 1.00 0.89 H new ATOM 0 HD1 PHE A 20 3.580 -4.178 -4.485 1.00 1.74 H new ATOM 0 HD2 PHE A 20 2.495 -7.892 -2.634 1.00 2.74 H new ATOM 0 HE1 PHE A 20 5.973 -4.630 -4.005 1.00 1.76 H new ATOM 0 HE2 PHE A 20 4.896 -8.410 -2.265 1.00 2.96 H new ATOM 0 HZ PHE A 20 6.637 -6.731 -2.860 1.00 1.71 H new ATOM 388 N HIS A 21 0.657 -6.675 -6.148 1.00 0.76 N ATOM 389 CA HIS A 21 1.136 -7.500 -7.246 1.00 0.84 C ATOM 390 C HIS A 21 1.064 -6.785 -8.600 1.00 0.91 C ATOM 391 O HIS A 21 1.895 -7.082 -9.460 1.00 1.09 O ATOM 392 CB HIS A 21 0.682 -8.968 -7.185 1.00 1.21 C ATOM 393 CG HIS A 21 -0.753 -9.328 -7.474 1.00 1.84 C ATOM 394 ND1 HIS A 21 -1.263 -10.608 -7.405 1.00 2.75 N ATOM 395 CD2 HIS A 21 -1.754 -8.518 -7.931 1.00 3.65 C ATOM 396 CE1 HIS A 21 -2.545 -10.559 -7.803 1.00 4.30 C ATOM 397 NE2 HIS A 21 -2.893 -9.306 -8.131 1.00 5.07 N ATOM 0 H HIS A 21 -0.148 -7.038 -5.638 1.00 0.76 H new ATOM 0 HA HIS A 21 2.209 -7.626 -7.104 1.00 0.84 H new ATOM 0 HB2 HIS A 21 1.303 -9.528 -7.884 1.00 1.21 H new ATOM 0 HB3 HIS A 21 0.913 -9.337 -6.186 1.00 1.21 H new ATOM 0 HD2 HIS A 21 -1.679 -7.455 -8.107 1.00 3.65 H new ATOM 0 HE1 HIS A 21 -3.205 -11.412 -7.852 1.00 4.30 H new ATOM 0 HE2 HIS A 21 -3.805 -8.991 -8.460 1.00 5.07 H new ATOM 405 N PHE A 22 0.179 -5.788 -8.736 1.00 0.88 N ATOM 406 CA PHE A 22 0.102 -4.868 -9.845 1.00 1.00 C ATOM 407 C PHE A 22 1.004 -3.654 -9.565 1.00 0.92 C ATOM 408 O PHE A 22 2.098 -3.524 -10.113 1.00 1.69 O ATOM 409 CB PHE A 22 -1.371 -4.444 -9.965 1.00 1.05 C ATOM 410 CG PHE A 22 -2.316 -5.476 -10.548 1.00 1.26 C ATOM 411 CD1 PHE A 22 -2.273 -5.776 -11.922 1.00 2.61 C ATOM 412 CD2 PHE A 22 -3.299 -6.076 -9.736 1.00 1.78 C ATOM 413 CE1 PHE A 22 -3.184 -6.694 -12.474 1.00 2.74 C ATOM 414 CE2 PHE A 22 -4.183 -7.022 -10.280 1.00 1.94 C ATOM 415 CZ PHE A 22 -4.134 -7.324 -11.651 1.00 1.70 C ATOM 0 H PHE A 22 -0.534 -5.604 -8.030 1.00 0.88 H new ATOM 0 HA PHE A 22 0.441 -5.324 -10.775 1.00 1.00 H new ATOM 0 HB2 PHE A 22 -1.731 -4.170 -8.973 1.00 1.05 H new ATOM 0 HB3 PHE A 22 -1.421 -3.546 -10.581 1.00 1.05 H new ATOM 0 HD1 PHE A 22 -1.538 -5.300 -12.554 1.00 2.61 H new ATOM 0 HD2 PHE A 22 -3.373 -5.808 -8.692 1.00 1.78 H new ATOM 0 HE1 PHE A 22 -3.154 -6.915 -13.531 1.00 2.74 H new ATOM 0 HE2 PHE A 22 -4.901 -7.518 -9.644 1.00 1.94 H new ATOM 0 HZ PHE A 22 -4.825 -8.039 -12.072 1.00 1.70 H new ATOM 425 N ASN A 23 0.524 -2.735 -8.725 1.00 0.64 N ATOM 426 CA ASN A 23 1.142 -1.448 -8.462 1.00 0.94 C ATOM 427 C ASN A 23 2.165 -1.604 -7.343 1.00 0.83 C ATOM 428 O ASN A 23 1.909 -1.324 -6.170 1.00 0.89 O ATOM 429 CB ASN A 23 0.074 -0.392 -8.144 1.00 1.31 C ATOM 430 CG ASN A 23 -0.801 -0.068 -9.355 1.00 1.72 C ATOM 431 OD1 ASN A 23 -2.023 -0.204 -9.302 1.00 3.04 O ATOM 432 ND2 ASN A 23 -0.208 0.394 -10.454 1.00 2.40 N ATOM 0 H ASN A 23 -0.335 -2.878 -8.194 1.00 0.64 H new ATOM 0 HA ASN A 23 1.668 -1.096 -9.350 1.00 0.94 H new ATOM 0 HB2 ASN A 23 -0.556 -0.749 -7.329 1.00 1.31 H new ATOM 0 HB3 ASN A 23 0.560 0.519 -7.796 1.00 1.31 H new ATOM 0 HD21 ASN A 23 -0.768 0.642 -11.270 1.00 2.40 H new ATOM 0 HD22 ASN A 23 0.806 0.500 -10.480 1.00 2.40 H new ATOM 439 N ARG A 24 3.361 -2.043 -7.733 1.00 0.87 N ATOM 440 CA ARG A 24 4.489 -2.192 -6.833 1.00 0.91 C ATOM 441 C ARG A 24 4.937 -0.826 -6.273 1.00 0.99 C ATOM 442 O ARG A 24 5.416 -0.739 -5.129 1.00 1.43 O ATOM 443 CB ARG A 24 5.585 -2.990 -7.570 1.00 1.11 C ATOM 444 CG ARG A 24 6.209 -4.024 -6.631 1.00 1.61 C ATOM 445 CD ARG A 24 7.097 -5.087 -7.294 1.00 2.06 C ATOM 446 NE ARG A 24 6.389 -5.965 -8.247 1.00 2.89 N ATOM 447 CZ ARG A 24 5.253 -6.650 -8.028 1.00 4.49 C ATOM 448 NH1 ARG A 24 4.829 -6.857 -6.775 1.00 5.47 N ATOM 449 NH2 ARG A 24 4.561 -7.123 -9.072 1.00 5.77 N ATOM 0 H ARG A 24 3.570 -2.307 -8.696 1.00 0.87 H new ATOM 0 HA ARG A 24 4.219 -2.762 -5.944 1.00 0.91 H new ATOM 0 HB2 ARG A 24 5.158 -3.489 -8.440 1.00 1.11 H new ATOM 0 HB3 ARG A 24 6.354 -2.311 -7.937 1.00 1.11 H new ATOM 0 HG2 ARG A 24 6.804 -3.496 -5.885 1.00 1.61 H new ATOM 0 HG3 ARG A 24 5.406 -4.532 -6.097 1.00 1.61 H new ATOM 0 HD2 ARG A 24 7.913 -4.587 -7.816 1.00 2.06 H new ATOM 0 HD3 ARG A 24 7.547 -5.704 -6.516 1.00 2.06 H new ATOM 0 HE ARG A 24 6.807 -6.062 -9.172 1.00 2.89 H new ATOM 0 HH11 ARG A 24 5.368 -6.495 -5.988 1.00 5.47 H new ATOM 0 HH12 ARG A 24 3.967 -7.376 -6.607 1.00 5.47 H new ATOM 0 HH21 ARG A 24 4.897 -6.962 -10.022 1.00 5.77 H new ATOM 0 HH22 ARG A 24 3.698 -7.644 -8.918 1.00 5.77 H new ATOM 463 N TYR A 25 4.729 0.222 -7.083 1.00 0.82 N ATOM 464 CA TYR A 25 5.021 1.630 -6.837 1.00 0.80 C ATOM 465 C TYR A 25 3.703 2.424 -6.891 1.00 0.61 C ATOM 466 O TYR A 25 2.835 2.076 -7.690 1.00 0.70 O ATOM 467 CB TYR A 25 5.964 2.137 -7.942 1.00 1.04 C ATOM 468 CG TYR A 25 7.097 1.197 -8.325 1.00 1.31 C ATOM 469 CD1 TYR A 25 6.884 0.195 -9.294 1.00 2.52 C ATOM 470 CD2 TYR A 25 8.373 1.350 -7.753 1.00 2.00 C ATOM 471 CE1 TYR A 25 7.928 -0.675 -9.651 1.00 2.90 C ATOM 472 CE2 TYR A 25 9.428 0.503 -8.141 1.00 2.03 C ATOM 473 CZ TYR A 25 9.204 -0.510 -9.091 1.00 1.98 C ATOM 474 OH TYR A 25 10.210 -1.356 -9.451 1.00 2.34 O ATOM 0 H TYR A 25 4.316 0.088 -8.006 1.00 0.82 H new ATOM 0 HA TYR A 25 5.490 1.757 -5.861 1.00 0.80 H new ATOM 0 HB2 TYR A 25 5.371 2.344 -8.833 1.00 1.04 H new ATOM 0 HB3 TYR A 25 6.396 3.084 -7.619 1.00 1.04 H new ATOM 0 HD1 TYR A 25 5.916 0.096 -9.763 1.00 2.52 H new ATOM 0 HD2 TYR A 25 8.544 2.119 -7.014 1.00 2.00 H new ATOM 0 HE1 TYR A 25 7.748 -1.472 -10.357 1.00 2.90 H new ATOM 0 HE2 TYR A 25 10.410 0.631 -7.709 1.00 2.03 H new ATOM 0 HH TYR A 25 11.031 -1.109 -8.976 1.00 2.34 H new ATOM 484 N LEU A 26 3.517 3.431 -6.023 1.00 0.58 N ATOM 485 CA LEU A 26 2.359 4.323 -6.015 1.00 0.54 C ATOM 486 C LEU A 26 2.800 5.751 -6.355 1.00 0.66 C ATOM 487 O LEU A 26 3.914 6.138 -6.006 1.00 0.93 O ATOM 488 CB LEU A 26 1.704 4.338 -4.625 1.00 0.73 C ATOM 489 CG LEU A 26 0.656 3.237 -4.413 1.00 0.91 C ATOM 490 CD1 LEU A 26 0.231 3.224 -2.939 1.00 1.03 C ATOM 491 CD2 LEU A 26 -0.606 3.451 -5.253 1.00 1.06 C ATOM 0 H LEU A 26 4.190 3.649 -5.289 1.00 0.58 H new ATOM 0 HA LEU A 26 1.645 3.961 -6.755 1.00 0.54 H new ATOM 0 HB2 LEU A 26 2.481 4.235 -3.868 1.00 0.73 H new ATOM 0 HB3 LEU A 26 1.233 5.308 -4.468 1.00 0.73 H new ATOM 0 HG LEU A 26 1.119 2.298 -4.716 1.00 0.91 H new ATOM 0 HD11 LEU A 26 -0.514 2.444 -2.782 1.00 1.03 H new ATOM 0 HD12 LEU A 26 1.100 3.028 -2.311 1.00 1.03 H new ATOM 0 HD13 LEU A 26 -0.196 4.191 -2.675 1.00 1.03 H new ATOM 0 HD21 LEU A 26 -1.311 2.642 -5.062 1.00 1.06 H new ATOM 0 HD22 LEU A 26 -1.064 4.403 -4.985 1.00 1.06 H new ATOM 0 HD23 LEU A 26 -0.342 3.460 -6.310 1.00 1.06 H new ATOM 503 N THR A 27 1.882 6.571 -6.874 1.00 0.70 N ATOM 504 CA THR A 27 2.035 8.017 -7.022 1.00 0.89 C ATOM 505 C THR A 27 1.053 8.721 -6.077 1.00 0.79 C ATOM 506 O THR A 27 -0.010 8.164 -5.803 1.00 0.59 O ATOM 507 CB THR A 27 1.719 8.395 -8.474 1.00 1.13 C ATOM 508 OG1 THR A 27 0.437 7.907 -8.817 1.00 1.09 O ATOM 509 CG2 THR A 27 2.734 7.797 -9.447 1.00 1.30 C ATOM 0 H THR A 27 0.982 6.233 -7.214 1.00 0.70 H new ATOM 0 HA THR A 27 3.053 8.321 -6.776 1.00 0.89 H new ATOM 0 HB THR A 27 1.759 9.482 -8.549 1.00 1.13 H new ATOM 0 HG1 THR A 27 0.232 8.149 -9.744 1.00 1.09 H new ATOM 0 HG21 THR A 27 2.476 8.087 -10.466 1.00 1.30 H new ATOM 0 HG22 THR A 27 3.731 8.166 -9.206 1.00 1.30 H new ATOM 0 HG23 THR A 27 2.720 6.710 -9.365 1.00 1.30 H new ATOM 517 N ARG A 28 1.360 9.943 -5.621 1.00 1.18 N ATOM 518 CA ARG A 28 0.557 10.678 -4.656 1.00 1.29 C ATOM 519 C ARG A 28 -0.931 10.729 -5.017 1.00 1.14 C ATOM 520 O ARG A 28 -1.769 10.503 -4.149 1.00 0.99 O ATOM 521 CB ARG A 28 1.150 12.080 -4.504 1.00 1.85 C ATOM 522 CG ARG A 28 0.277 12.963 -3.610 1.00 1.83 C ATOM 523 CD ARG A 28 1.041 14.226 -3.206 1.00 2.33 C ATOM 524 NE ARG A 28 2.097 13.959 -2.214 1.00 3.46 N ATOM 525 CZ ARG A 28 1.902 13.468 -0.978 1.00 4.42 C ATOM 526 NH1 ARG A 28 0.667 13.365 -0.476 1.00 4.85 N ATOM 527 NH2 ARG A 28 2.954 13.064 -0.267 1.00 5.59 N ATOM 0 H ARG A 28 2.191 10.451 -5.923 1.00 1.18 H new ATOM 0 HA ARG A 28 0.595 10.149 -3.704 1.00 1.29 H new ATOM 0 HB2 ARG A 28 2.152 12.009 -4.080 1.00 1.85 H new ATOM 0 HB3 ARG A 28 1.251 12.542 -5.486 1.00 1.85 H new ATOM 0 HG2 ARG A 28 -0.637 13.235 -4.137 1.00 1.83 H new ATOM 0 HG3 ARG A 28 -0.021 12.409 -2.720 1.00 1.83 H new ATOM 0 HD2 ARG A 28 1.487 14.675 -4.093 1.00 2.33 H new ATOM 0 HD3 ARG A 28 0.340 14.954 -2.798 1.00 2.33 H new ATOM 0 HE ARG A 28 3.058 14.164 -2.488 1.00 3.46 H new ATOM 0 HH11 ARG A 28 -0.136 13.660 -1.032 1.00 4.85 H new ATOM 0 HH12 ARG A 28 0.528 12.991 0.463 1.00 4.85 H new ATOM 0 HH21 ARG A 28 3.892 13.130 -0.662 1.00 5.59 H new ATOM 0 HH22 ARG A 28 2.821 12.689 0.672 1.00 5.59 H new ATOM 541 N ARG A 29 -1.261 11.041 -6.276 1.00 1.32 N ATOM 542 CA ARG A 29 -2.653 11.095 -6.715 1.00 1.45 C ATOM 543 C ARG A 29 -3.335 9.775 -6.364 1.00 1.23 C ATOM 544 O ARG A 29 -4.280 9.750 -5.576 1.00 1.29 O ATOM 545 CB ARG A 29 -2.773 11.393 -8.220 1.00 1.73 C ATOM 546 CG ARG A 29 -2.425 12.847 -8.575 1.00 3.38 C ATOM 547 CD ARG A 29 -0.989 13.020 -9.084 1.00 4.78 C ATOM 548 NE ARG A 29 -0.614 14.443 -9.090 1.00 6.13 N ATOM 549 CZ ARG A 29 0.645 14.909 -9.163 1.00 7.51 C ATOM 550 NH1 ARG A 29 1.648 14.070 -9.447 1.00 8.00 N ATOM 551 NH2 ARG A 29 0.892 16.205 -8.941 1.00 8.80 N ATOM 0 H ARG A 29 -0.581 11.259 -7.005 1.00 1.32 H new ATOM 0 HA ARG A 29 -3.149 11.915 -6.196 1.00 1.45 H new ATOM 0 HB2 ARG A 29 -2.113 10.723 -8.771 1.00 1.73 H new ATOM 0 HB3 ARG A 29 -3.790 11.179 -8.547 1.00 1.73 H new ATOM 0 HG2 ARG A 29 -3.118 13.204 -9.337 1.00 3.38 H new ATOM 0 HG3 ARG A 29 -2.569 13.473 -7.694 1.00 3.38 H new ATOM 0 HD2 ARG A 29 -0.302 12.459 -8.450 1.00 4.78 H new ATOM 0 HD3 ARG A 29 -0.901 12.610 -10.090 1.00 4.78 H new ATOM 0 HE ARG A 29 -1.367 15.129 -9.035 1.00 6.13 H new ATOM 0 HH11 ARG A 29 1.456 13.081 -9.607 1.00 8.00 H new ATOM 0 HH12 ARG A 29 2.605 14.419 -9.503 1.00 8.00 H new ATOM 0 HH21 ARG A 29 0.125 16.839 -8.716 1.00 8.80 H new ATOM 0 HH22 ARG A 29 1.847 16.559 -8.996 1.00 8.80 H new ATOM 565 N ARG A 30 -2.794 8.674 -6.892 1.00 1.11 N ATOM 566 CA ARG A 30 -3.288 7.346 -6.567 1.00 1.07 C ATOM 567 C ARG A 30 -3.311 7.132 -5.051 1.00 0.90 C ATOM 568 O ARG A 30 -4.222 6.469 -4.567 1.00 0.88 O ATOM 569 CB ARG A 30 -2.519 6.244 -7.324 1.00 1.10 C ATOM 570 CG ARG A 30 -3.426 5.439 -8.266 1.00 1.61 C ATOM 571 CD ARG A 30 -4.410 4.513 -7.530 1.00 2.22 C ATOM 572 NE ARG A 30 -3.794 3.267 -7.035 1.00 1.67 N ATOM 573 CZ ARG A 30 -3.511 2.193 -7.793 1.00 1.98 C ATOM 574 NH1 ARG A 30 -3.629 2.246 -9.122 1.00 3.09 N ATOM 575 NH2 ARG A 30 -3.103 1.053 -7.239 1.00 2.82 N ATOM 0 H ARG A 30 -2.012 8.683 -7.547 1.00 1.11 H new ATOM 0 HA ARG A 30 -4.319 7.272 -6.912 1.00 1.07 H new ATOM 0 HB2 ARG A 30 -1.713 6.698 -7.900 1.00 1.10 H new ATOM 0 HB3 ARG A 30 -2.056 5.568 -6.605 1.00 1.10 H new ATOM 0 HG2 ARG A 30 -3.990 6.130 -8.893 1.00 1.61 H new ATOM 0 HG3 ARG A 30 -2.804 4.840 -8.931 1.00 1.61 H new ATOM 0 HD2 ARG A 30 -4.843 5.053 -6.688 1.00 2.22 H new ATOM 0 HD3 ARG A 30 -5.230 4.260 -8.202 1.00 2.22 H new ATOM 0 HE ARG A 30 -3.565 3.216 -6.042 1.00 1.67 H new ATOM 0 HH11 ARG A 30 -3.937 3.108 -9.573 1.00 3.09 H new ATOM 0 HH12 ARG A 30 -3.411 1.425 -9.686 1.00 3.09 H new ATOM 0 HH21 ARG A 30 -3.001 0.986 -6.226 1.00 2.82 H new ATOM 0 HH22 ARG A 30 -2.892 0.247 -7.827 1.00 2.82 H new ATOM 589 N ARG A 31 -2.357 7.685 -4.286 1.00 0.78 N ATOM 590 CA ARG A 31 -2.385 7.513 -2.838 1.00 0.54 C ATOM 591 C ARG A 31 -3.629 8.168 -2.246 1.00 0.56 C ATOM 592 O ARG A 31 -4.276 7.556 -1.404 1.00 0.51 O ATOM 593 CB ARG A 31 -1.080 7.897 -2.126 1.00 0.58 C ATOM 594 CG ARG A 31 0.025 6.935 -2.586 1.00 0.89 C ATOM 595 CD ARG A 31 0.988 6.487 -1.490 1.00 1.38 C ATOM 596 NE ARG A 31 1.797 7.613 -1.032 1.00 1.96 N ATOM 597 CZ ARG A 31 2.916 8.085 -1.600 1.00 2.77 C ATOM 598 NH1 ARG A 31 3.445 7.459 -2.660 1.00 3.60 N ATOM 599 NH2 ARG A 31 3.507 9.177 -1.108 1.00 3.89 N ATOM 0 H ARG A 31 -1.578 8.240 -4.640 1.00 0.78 H new ATOM 0 HA ARG A 31 -2.457 6.442 -2.649 1.00 0.54 H new ATOM 0 HB2 ARG A 31 -0.809 8.926 -2.361 1.00 0.58 H new ATOM 0 HB3 ARG A 31 -1.207 7.840 -1.045 1.00 0.58 H new ATOM 0 HG2 ARG A 31 -0.442 6.052 -3.022 1.00 0.89 H new ATOM 0 HG3 ARG A 31 0.598 7.416 -3.378 1.00 0.89 H new ATOM 0 HD2 ARG A 31 0.428 6.069 -0.653 1.00 1.38 H new ATOM 0 HD3 ARG A 31 1.635 5.695 -1.867 1.00 1.38 H new ATOM 0 HE ARG A 31 1.477 8.092 -0.190 1.00 1.96 H new ATOM 0 HH11 ARG A 31 2.996 6.623 -3.035 1.00 3.60 H new ATOM 0 HH12 ARG A 31 4.296 7.818 -3.092 1.00 3.60 H new ATOM 0 HH21 ARG A 31 3.107 9.653 -0.299 1.00 3.89 H new ATOM 0 HH22 ARG A 31 4.358 9.535 -1.541 1.00 3.89 H new ATOM 613 N ILE A 32 -4.005 9.362 -2.707 1.00 0.72 N ATOM 614 CA ILE A 32 -5.271 9.973 -2.304 1.00 0.78 C ATOM 615 C ILE A 32 -6.447 9.047 -2.670 1.00 0.77 C ATOM 616 O ILE A 32 -7.276 8.738 -1.814 1.00 0.72 O ATOM 617 CB ILE A 32 -5.377 11.413 -2.852 1.00 1.06 C ATOM 618 CG1 ILE A 32 -4.706 12.425 -1.901 1.00 1.30 C ATOM 619 CG2 ILE A 32 -6.833 11.863 -3.033 1.00 1.10 C ATOM 620 CD1 ILE A 32 -3.200 12.225 -1.713 1.00 2.37 C ATOM 0 H ILE A 32 -3.453 9.922 -3.357 1.00 0.72 H new ATOM 0 HA ILE A 32 -5.313 10.081 -1.220 1.00 0.78 H new ATOM 0 HB ILE A 32 -4.873 11.394 -3.818 1.00 1.06 H new ATOM 0 HG12 ILE A 32 -4.880 13.431 -2.282 1.00 1.30 H new ATOM 0 HG13 ILE A 32 -5.191 12.364 -0.927 1.00 1.30 H new ATOM 0 HG21 ILE A 32 -6.854 12.882 -3.420 1.00 1.10 H new ATOM 0 HG22 ILE A 32 -7.335 11.198 -3.735 1.00 1.10 H new ATOM 0 HG23 ILE A 32 -7.346 11.830 -2.072 1.00 1.10 H new ATOM 0 HD11 ILE A 32 -2.815 12.981 -1.029 1.00 2.37 H new ATOM 0 HD12 ILE A 32 -3.013 11.234 -1.300 1.00 2.37 H new ATOM 0 HD13 ILE A 32 -2.698 12.317 -2.676 1.00 2.37 H new ATOM 632 N GLU A 33 -6.488 8.521 -3.899 1.00 0.87 N ATOM 633 CA GLU A 33 -7.555 7.605 -4.309 1.00 0.95 C ATOM 634 C GLU A 33 -7.660 6.391 -3.384 1.00 0.89 C ATOM 635 O GLU A 33 -8.701 6.111 -2.791 1.00 1.02 O ATOM 636 CB GLU A 33 -7.338 7.116 -5.746 1.00 1.09 C ATOM 637 CG GLU A 33 -7.145 8.285 -6.699 1.00 2.13 C ATOM 638 CD GLU A 33 -7.271 7.841 -8.147 1.00 2.35 C ATOM 639 OE1 GLU A 33 -6.236 7.391 -8.686 1.00 2.90 O ATOM 640 OE2 GLU A 33 -8.397 7.938 -8.676 1.00 3.10 O ATOM 0 H GLU A 33 -5.797 8.714 -4.624 1.00 0.87 H new ATOM 0 HA GLU A 33 -8.485 8.170 -4.248 1.00 0.95 H new ATOM 0 HB2 GLU A 33 -6.465 6.464 -5.784 1.00 1.09 H new ATOM 0 HB3 GLU A 33 -8.194 6.521 -6.064 1.00 1.09 H new ATOM 0 HG2 GLU A 33 -7.885 9.056 -6.487 1.00 2.13 H new ATOM 0 HG3 GLU A 33 -6.164 8.731 -6.537 1.00 2.13 H new ATOM 647 N ILE A 34 -6.566 5.653 -3.272 1.00 0.78 N ATOM 648 CA ILE A 34 -6.534 4.370 -2.603 1.00 0.84 C ATOM 649 C ILE A 34 -6.689 4.560 -1.091 1.00 0.69 C ATOM 650 O ILE A 34 -7.326 3.748 -0.421 1.00 0.74 O ATOM 651 CB ILE A 34 -5.263 3.630 -3.038 1.00 1.03 C ATOM 652 CG1 ILE A 34 -5.399 2.116 -2.887 1.00 1.00 C ATOM 653 CG2 ILE A 34 -4.027 4.183 -2.326 1.00 1.34 C ATOM 654 CD1 ILE A 34 -4.816 1.650 -1.565 1.00 1.66 C ATOM 0 H ILE A 34 -5.663 5.937 -3.651 1.00 0.78 H new ATOM 0 HA ILE A 34 -7.376 3.740 -2.891 1.00 0.84 H new ATOM 0 HB ILE A 34 -5.125 3.815 -4.103 1.00 1.03 H new ATOM 0 HG12 ILE A 34 -6.450 1.833 -2.945 1.00 1.00 H new ATOM 0 HG13 ILE A 34 -4.888 1.617 -3.711 1.00 1.00 H new ATOM 0 HG21 ILE A 34 -3.143 3.638 -2.656 1.00 1.34 H new ATOM 0 HG22 ILE A 34 -3.912 5.240 -2.565 1.00 1.34 H new ATOM 0 HG23 ILE A 34 -4.145 4.066 -1.249 1.00 1.34 H new ATOM 0 HD11 ILE A 34 -4.925 0.569 -1.480 1.00 1.66 H new ATOM 0 HD12 ILE A 34 -3.759 1.913 -1.520 1.00 1.66 H new ATOM 0 HD13 ILE A 34 -5.345 2.133 -0.744 1.00 1.66 H new ATOM 666 N ALA A 35 -6.150 5.667 -0.565 1.00 0.59 N ATOM 667 CA ALA A 35 -6.412 6.117 0.789 1.00 0.58 C ATOM 668 C ALA A 35 -7.914 6.171 1.027 1.00 0.63 C ATOM 669 O ALA A 35 -8.385 5.616 2.012 1.00 0.77 O ATOM 670 CB ALA A 35 -5.786 7.492 1.028 1.00 0.51 C ATOM 0 H ALA A 35 -5.514 6.275 -1.081 1.00 0.59 H new ATOM 0 HA ALA A 35 -5.964 5.412 1.490 1.00 0.58 H new ATOM 0 HB1 ALA A 35 -5.993 7.813 2.049 1.00 0.51 H new ATOM 0 HB2 ALA A 35 -4.708 7.432 0.878 1.00 0.51 H new ATOM 0 HB3 ALA A 35 -6.210 8.212 0.328 1.00 0.51 H new ATOM 676 N HIS A 36 -8.677 6.798 0.128 1.00 0.58 N ATOM 677 CA HIS A 36 -10.122 6.846 0.287 1.00 0.68 C ATOM 678 C HIS A 36 -10.722 5.449 0.135 1.00 0.79 C ATOM 679 O HIS A 36 -11.610 5.078 0.894 1.00 1.13 O ATOM 680 CB HIS A 36 -10.742 7.864 -0.673 1.00 0.90 C ATOM 681 CG HIS A 36 -10.339 9.281 -0.352 1.00 1.22 C ATOM 682 ND1 HIS A 36 -10.461 9.896 0.875 1.00 2.84 N ATOM 683 CD2 HIS A 36 -9.762 10.180 -1.208 1.00 1.84 C ATOM 684 CE1 HIS A 36 -9.961 11.139 0.754 1.00 3.79 C ATOM 685 NE2 HIS A 36 -9.527 11.361 -0.496 1.00 3.11 N ATOM 0 H HIS A 36 -8.320 7.271 -0.703 1.00 0.58 H new ATOM 0 HA HIS A 36 -10.358 7.186 1.295 1.00 0.68 H new ATOM 0 HB2 HIS A 36 -10.441 7.626 -1.693 1.00 0.90 H new ATOM 0 HB3 HIS A 36 -11.828 7.781 -0.634 1.00 0.90 H new ATOM 0 HD2 HIS A 36 -9.529 10.008 -2.249 1.00 1.84 H new ATOM 0 HE1 HIS A 36 -9.915 11.861 1.556 1.00 3.79 H new ATOM 0 HE2 HIS A 36 -9.109 12.219 -0.855 1.00 3.11 H new ATOM 693 N ALA A 37 -10.222 4.674 -0.827 1.00 0.80 N ATOM 694 CA ALA A 37 -10.697 3.322 -1.094 1.00 0.94 C ATOM 695 C ALA A 37 -10.626 2.421 0.149 1.00 0.98 C ATOM 696 O ALA A 37 -11.661 1.952 0.616 1.00 1.15 O ATOM 697 CB ALA A 37 -9.936 2.732 -2.283 1.00 0.98 C ATOM 0 H ALA A 37 -9.469 4.972 -1.447 1.00 0.80 H new ATOM 0 HA ALA A 37 -11.754 3.376 -1.355 1.00 0.94 H new ATOM 0 HB1 ALA A 37 -10.294 1.721 -2.479 1.00 0.98 H new ATOM 0 HB2 ALA A 37 -10.100 3.352 -3.164 1.00 0.98 H new ATOM 0 HB3 ALA A 37 -8.871 2.701 -2.054 1.00 0.98 H new ATOM 703 N LEU A 38 -9.428 2.172 0.695 1.00 0.94 N ATOM 704 CA LEU A 38 -9.282 1.391 1.920 1.00 1.06 C ATOM 705 C LEU A 38 -9.615 2.184 3.191 1.00 1.06 C ATOM 706 O LEU A 38 -9.765 1.566 4.243 1.00 1.77 O ATOM 707 CB LEU A 38 -7.865 0.797 2.043 1.00 1.19 C ATOM 708 CG LEU A 38 -7.617 -0.592 1.437 1.00 1.18 C ATOM 709 CD1 LEU A 38 -8.787 -1.540 1.702 1.00 2.14 C ATOM 710 CD2 LEU A 38 -7.230 -0.546 -0.041 1.00 1.45 C ATOM 0 H LEU A 38 -8.547 2.503 0.303 1.00 0.94 H new ATOM 0 HA LEU A 38 -10.011 0.585 1.836 1.00 1.06 H new ATOM 0 HB2 LEU A 38 -7.168 1.495 1.579 1.00 1.19 H new ATOM 0 HB3 LEU A 38 -7.612 0.751 3.102 1.00 1.19 H new ATOM 0 HG LEU A 38 -6.747 -0.998 1.952 1.00 1.18 H new ATOM 0 HD11 LEU A 38 -8.575 -2.513 1.258 1.00 2.14 H new ATOM 0 HD12 LEU A 38 -8.926 -1.654 2.777 1.00 2.14 H new ATOM 0 HD13 LEU A 38 -9.695 -1.130 1.260 1.00 2.14 H new ATOM 0 HD21 LEU A 38 -7.069 -1.560 -0.407 1.00 1.45 H new ATOM 0 HD22 LEU A 38 -8.031 -0.077 -0.612 1.00 1.45 H new ATOM 0 HD23 LEU A 38 -6.313 0.032 -0.159 1.00 1.45 H new ATOM 722 N CYS A 39 -9.676 3.518 3.130 1.00 0.95 N ATOM 723 CA CYS A 39 -9.947 4.412 4.260 1.00 0.97 C ATOM 724 C CYS A 39 -8.706 4.538 5.152 1.00 0.85 C ATOM 725 O CYS A 39 -8.789 4.408 6.373 1.00 1.07 O ATOM 726 CB CYS A 39 -11.203 4.017 5.056 1.00 1.25 C ATOM 727 SG CYS A 39 -12.654 3.953 3.975 1.00 3.45 S ATOM 0 H CYS A 39 -9.532 4.025 2.257 1.00 0.95 H new ATOM 0 HA CYS A 39 -10.170 5.396 3.848 1.00 0.97 H new ATOM 0 HB2 CYS A 39 -11.051 3.045 5.526 1.00 1.25 H new ATOM 0 HB3 CYS A 39 -11.372 4.736 5.858 1.00 1.25 H new ATOM 0 HG CYS A 39 -12.329 4.369 2.787 1.00 3.45 H new ATOM 733 N LEU A 40 -7.546 4.785 4.531 1.00 0.61 N ATOM 734 CA LEU A 40 -6.237 4.942 5.165 1.00 0.53 C ATOM 735 C LEU A 40 -5.759 6.383 4.950 1.00 0.55 C ATOM 736 O LEU A 40 -6.428 7.169 4.284 1.00 0.57 O ATOM 737 CB LEU A 40 -5.237 3.949 4.537 1.00 0.52 C ATOM 738 CG LEU A 40 -5.242 2.550 5.173 1.00 0.72 C ATOM 739 CD1 LEU A 40 -6.655 1.989 5.237 1.00 1.44 C ATOM 740 CD2 LEU A 40 -4.348 1.597 4.377 1.00 0.81 C ATOM 0 H LEU A 40 -7.496 4.886 3.517 1.00 0.61 H new ATOM 0 HA LEU A 40 -6.308 4.736 6.233 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -5.460 3.852 3.474 1.00 0.52 H new ATOM 0 HB3 LEU A 40 -4.233 4.366 4.615 1.00 0.52 H new ATOM 0 HG LEU A 40 -4.854 2.642 6.187 1.00 0.72 H new ATOM 0 HD11 LEU A 40 -6.633 0.998 5.691 1.00 1.44 H new ATOM 0 HD12 LEU A 40 -7.282 2.649 5.837 1.00 1.44 H new ATOM 0 HD13 LEU A 40 -7.064 1.917 4.229 1.00 1.44 H new ATOM 0 HD21 LEU A 40 -4.363 0.611 4.841 1.00 0.81 H new ATOM 0 HD22 LEU A 40 -4.716 1.522 3.354 1.00 0.81 H new ATOM 0 HD23 LEU A 40 -3.327 1.978 4.368 1.00 0.81 H new ATOM 752 N THR A 41 -4.588 6.725 5.496 1.00 0.74 N ATOM 753 CA THR A 41 -3.894 7.979 5.251 1.00 0.75 C ATOM 754 C THR A 41 -2.628 7.754 4.419 1.00 0.71 C ATOM 755 O THR A 41 -2.063 6.663 4.362 1.00 0.75 O ATOM 756 CB THR A 41 -3.575 8.691 6.575 1.00 0.82 C ATOM 757 OG1 THR A 41 -2.759 7.910 7.425 1.00 0.93 O ATOM 758 CG2 THR A 41 -4.852 9.057 7.326 1.00 1.26 C ATOM 0 H THR A 41 -4.087 6.113 6.140 1.00 0.74 H new ATOM 0 HA THR A 41 -4.554 8.626 4.674 1.00 0.75 H new ATOM 0 HB THR A 41 -3.030 9.596 6.305 1.00 0.82 H new ATOM 0 HG1 THR A 41 -3.199 7.053 7.604 1.00 0.93 H new ATOM 0 HG21 THR A 41 -4.594 9.559 8.258 1.00 1.26 H new ATOM 0 HG22 THR A 41 -5.458 9.722 6.711 1.00 1.26 H new ATOM 0 HG23 THR A 41 -5.417 8.151 7.546 1.00 1.26 H new ATOM 766 N GLU A 42 -2.172 8.843 3.802 1.00 0.76 N ATOM 767 CA GLU A 42 -0.994 8.930 2.953 1.00 0.84 C ATOM 768 C GLU A 42 0.195 8.320 3.676 1.00 0.75 C ATOM 769 O GLU A 42 0.812 7.375 3.190 1.00 0.80 O ATOM 770 CB GLU A 42 -0.801 10.422 2.592 1.00 1.21 C ATOM 771 CG GLU A 42 0.635 10.909 2.327 1.00 2.12 C ATOM 772 CD GLU A 42 1.268 10.310 1.087 1.00 2.86 C ATOM 773 OE1 GLU A 42 0.632 9.457 0.442 1.00 3.61 O ATOM 774 OE2 GLU A 42 2.393 10.740 0.748 1.00 3.92 O ATOM 0 H GLU A 42 -2.647 9.741 3.890 1.00 0.76 H new ATOM 0 HA GLU A 42 -1.103 8.366 2.027 1.00 0.84 H new ATOM 0 HB2 GLU A 42 -1.397 10.633 1.704 1.00 1.21 H new ATOM 0 HB3 GLU A 42 -1.215 11.021 3.403 1.00 1.21 H new ATOM 0 HG2 GLU A 42 0.628 11.995 2.231 1.00 2.12 H new ATOM 0 HG3 GLU A 42 1.255 10.669 3.191 1.00 2.12 H new ATOM 781 N ARG A 43 0.470 8.842 4.872 1.00 0.74 N ATOM 782 CA ARG A 43 1.545 8.355 5.715 1.00 0.75 C ATOM 783 C ARG A 43 1.464 6.837 5.857 1.00 0.66 C ATOM 784 O ARG A 43 2.449 6.147 5.603 1.00 0.65 O ATOM 785 CB ARG A 43 1.557 9.094 7.064 1.00 0.86 C ATOM 786 CG ARG A 43 0.201 9.088 7.788 1.00 2.46 C ATOM 787 CD ARG A 43 0.178 10.060 8.971 1.00 2.97 C ATOM 788 NE ARG A 43 -1.216 10.308 9.375 1.00 4.58 N ATOM 789 CZ ARG A 43 -1.670 11.438 9.945 1.00 5.27 C ATOM 790 NH1 ARG A 43 -0.807 12.348 10.412 1.00 5.67 N ATOM 791 NH2 ARG A 43 -2.987 11.657 10.032 1.00 6.06 N ATOM 0 H ARG A 43 -0.053 9.618 5.278 1.00 0.74 H new ATOM 0 HA ARG A 43 2.503 8.572 5.242 1.00 0.75 H new ATOM 0 HB2 ARG A 43 2.306 8.637 7.711 1.00 0.86 H new ATOM 0 HB3 ARG A 43 1.866 10.126 6.899 1.00 0.86 H new ATOM 0 HG2 ARG A 43 -0.587 9.355 7.084 1.00 2.46 H new ATOM 0 HG3 ARG A 43 -0.016 8.080 8.142 1.00 2.46 H new ATOM 0 HD2 ARG A 43 0.742 9.646 9.807 1.00 2.97 H new ATOM 0 HD3 ARG A 43 0.660 10.998 8.695 1.00 2.97 H new ATOM 0 HE ARG A 43 -1.892 9.562 9.209 1.00 4.58 H new ATOM 0 HH11 ARG A 43 0.197 12.185 10.336 1.00 5.67 H new ATOM 0 HH12 ARG A 43 -1.153 13.205 10.844 1.00 5.67 H new ATOM 0 HH21 ARG A 43 -3.644 10.968 9.666 1.00 6.06 H new ATOM 0 HH22 ARG A 43 -3.334 12.513 10.464 1.00 6.06 H new ATOM 805 N GLN A 44 0.298 6.298 6.229 1.00 0.65 N ATOM 806 CA GLN A 44 0.259 4.873 6.540 1.00 0.55 C ATOM 807 C GLN A 44 0.395 4.032 5.268 1.00 0.51 C ATOM 808 O GLN A 44 1.029 2.975 5.310 1.00 0.54 O ATOM 809 CB GLN A 44 -0.898 4.497 7.477 1.00 0.74 C ATOM 810 CG GLN A 44 -2.223 4.211 6.776 1.00 1.16 C ATOM 811 CD GLN A 44 -3.386 4.359 7.749 1.00 2.02 C ATOM 812 OE1 GLN A 44 -3.955 5.441 7.861 1.00 3.42 O ATOM 813 NE2 GLN A 44 -3.757 3.294 8.446 1.00 2.42 N ATOM 0 H GLN A 44 -0.586 6.799 6.318 1.00 0.65 H new ATOM 0 HA GLN A 44 1.136 4.622 7.137 1.00 0.55 H new ATOM 0 HB2 GLN A 44 -0.610 3.617 8.052 1.00 0.74 H new ATOM 0 HB3 GLN A 44 -1.048 5.308 8.190 1.00 0.74 H new ATOM 0 HG2 GLN A 44 -2.353 4.896 5.938 1.00 1.16 H new ATOM 0 HG3 GLN A 44 -2.212 3.202 6.364 1.00 1.16 H new ATOM 0 HE21 GLN A 44 -3.262 2.410 8.329 1.00 2.42 H new ATOM 0 HE22 GLN A 44 -4.537 3.359 9.100 1.00 2.42 H new ATOM 822 N ILE A 45 -0.127 4.508 4.125 1.00 0.49 N ATOM 823 CA ILE A 45 0.082 3.780 2.876 1.00 0.45 C ATOM 824 C ILE A 45 1.584 3.791 2.596 1.00 0.46 C ATOM 825 O ILE A 45 2.186 2.753 2.327 1.00 0.52 O ATOM 826 CB ILE A 45 -0.720 4.396 1.712 1.00 0.47 C ATOM 827 CG1 ILE A 45 -2.246 4.279 1.885 1.00 0.70 C ATOM 828 CG2 ILE A 45 -0.323 3.758 0.375 1.00 0.53 C ATOM 829 CD1 ILE A 45 -2.852 2.913 1.573 1.00 1.26 C ATOM 0 H ILE A 45 -0.677 5.363 4.045 1.00 0.49 H new ATOM 0 HA ILE A 45 -0.280 2.756 2.970 1.00 0.45 H new ATOM 0 HB ILE A 45 -0.468 5.456 1.717 1.00 0.47 H new ATOM 0 HG12 ILE A 45 -2.496 4.539 2.914 1.00 0.70 H new ATOM 0 HG13 ILE A 45 -2.722 5.021 1.244 1.00 0.70 H new ATOM 0 HG21 ILE A 45 -0.903 4.210 -0.430 1.00 0.53 H new ATOM 0 HG22 ILE A 45 0.739 3.923 0.194 1.00 0.53 H new ATOM 0 HG23 ILE A 45 -0.523 2.687 0.409 1.00 0.53 H new ATOM 0 HD11 ILE A 45 -3.930 2.949 1.729 1.00 1.26 H new ATOM 0 HD12 ILE A 45 -2.644 2.651 0.535 1.00 1.26 H new ATOM 0 HD13 ILE A 45 -2.415 2.162 2.231 1.00 1.26 H new ATOM 841 N LYS A 46 2.192 4.976 2.680 1.00 0.52 N ATOM 842 CA LYS A 46 3.600 5.184 2.410 1.00 0.64 C ATOM 843 C LYS A 46 4.471 4.291 3.299 1.00 0.63 C ATOM 844 O LYS A 46 5.471 3.765 2.804 1.00 0.87 O ATOM 845 CB LYS A 46 3.927 6.684 2.509 1.00 0.86 C ATOM 846 CG LYS A 46 5.175 7.091 1.715 1.00 1.13 C ATOM 847 CD LYS A 46 6.482 6.928 2.508 1.00 1.66 C ATOM 848 CE LYS A 46 7.616 6.377 1.634 1.00 2.46 C ATOM 849 NZ LYS A 46 7.476 4.926 1.386 1.00 3.93 N ATOM 0 H LYS A 46 1.701 5.830 2.944 1.00 0.52 H new ATOM 0 HA LYS A 46 3.834 4.879 1.390 1.00 0.64 H new ATOM 0 HB2 LYS A 46 3.074 7.259 2.149 1.00 0.86 H new ATOM 0 HB3 LYS A 46 4.070 6.948 3.557 1.00 0.86 H new ATOM 0 HG2 LYS A 46 5.232 6.490 0.808 1.00 1.13 H new ATOM 0 HG3 LYS A 46 5.075 8.131 1.403 1.00 1.13 H new ATOM 0 HD2 LYS A 46 6.778 7.892 2.922 1.00 1.66 H new ATOM 0 HD3 LYS A 46 6.314 6.257 3.351 1.00 1.66 H new ATOM 0 HE2 LYS A 46 7.629 6.907 0.682 1.00 2.46 H new ATOM 0 HE3 LYS A 46 8.573 6.570 2.119 1.00 2.46 H new ATOM 0 HZ1 LYS A 46 8.404 4.466 1.484 1.00 3.93 H new ATOM 0 HZ2 LYS A 46 6.813 4.518 2.076 1.00 3.93 H new ATOM 0 HZ3 LYS A 46 7.113 4.772 0.424 1.00 3.93 H new ATOM 863 N ILE A 47 4.111 4.112 4.577 1.00 0.53 N ATOM 864 CA ILE A 47 4.766 3.161 5.471 1.00 0.51 C ATOM 865 C ILE A 47 4.573 1.729 4.958 1.00 0.49 C ATOM 866 O ILE A 47 5.562 1.045 4.701 1.00 0.59 O ATOM 867 CB ILE A 47 4.314 3.351 6.940 1.00 0.50 C ATOM 868 CG1 ILE A 47 5.188 4.388 7.673 1.00 0.60 C ATOM 869 CG2 ILE A 47 4.426 2.053 7.761 1.00 0.63 C ATOM 870 CD1 ILE A 47 4.995 5.837 7.224 1.00 1.65 C ATOM 0 H ILE A 47 3.351 4.629 5.018 1.00 0.53 H new ATOM 0 HA ILE A 47 5.838 3.359 5.469 1.00 0.51 H new ATOM 0 HB ILE A 47 3.276 3.677 6.873 1.00 0.50 H new ATOM 0 HG12 ILE A 47 4.980 4.325 8.741 1.00 0.60 H new ATOM 0 HG13 ILE A 47 6.235 4.119 7.536 1.00 0.60 H new ATOM 0 HG21 ILE A 47 4.097 2.240 8.783 1.00 0.63 H new ATOM 0 HG22 ILE A 47 3.798 1.283 7.313 1.00 0.63 H new ATOM 0 HG23 ILE A 47 5.463 1.716 7.769 1.00 0.63 H new ATOM 0 HD11 ILE A 47 5.654 6.487 7.799 1.00 1.65 H new ATOM 0 HD12 ILE A 47 5.234 5.924 6.164 1.00 1.65 H new ATOM 0 HD13 ILE A 47 3.959 6.134 7.388 1.00 1.65 H new ATOM 882 N TRP A 48 3.337 1.245 4.791 1.00 0.39 N ATOM 883 CA TRP A 48 3.141 -0.163 4.438 1.00 0.34 C ATOM 884 C TRP A 48 3.856 -0.482 3.113 1.00 0.39 C ATOM 885 O TRP A 48 4.637 -1.429 3.045 1.00 0.48 O ATOM 886 CB TRP A 48 1.639 -0.511 4.451 1.00 0.33 C ATOM 887 CG TRP A 48 1.258 -1.968 4.361 1.00 0.32 C ATOM 888 CD1 TRP A 48 1.122 -2.826 5.399 1.00 0.45 C ATOM 889 CD2 TRP A 48 0.922 -2.747 3.174 1.00 0.37 C ATOM 890 NE1 TRP A 48 0.731 -4.068 4.934 1.00 0.48 N ATOM 891 CE2 TRP A 48 0.615 -4.091 3.560 1.00 0.39 C ATOM 892 CE3 TRP A 48 0.770 -2.431 1.810 1.00 0.59 C ATOM 893 CZ2 TRP A 48 0.249 -5.077 2.622 1.00 0.46 C ATOM 894 CZ3 TRP A 48 0.566 -3.439 0.863 1.00 0.63 C ATOM 895 CH2 TRP A 48 0.312 -4.745 1.270 1.00 0.53 C ATOM 0 H TRP A 48 2.481 1.790 4.891 1.00 0.39 H new ATOM 0 HA TRP A 48 3.601 -0.809 5.186 1.00 0.34 H new ATOM 0 HB2 TRP A 48 1.209 -0.107 5.368 1.00 0.33 H new ATOM 0 HB3 TRP A 48 1.166 0.012 3.620 1.00 0.33 H new ATOM 0 HD1 TRP A 48 1.293 -2.577 6.436 1.00 0.45 H new ATOM 0 HE1 TRP A 48 0.550 -4.872 5.536 1.00 0.48 H new ATOM 0 HE3 TRP A 48 0.811 -1.400 1.492 1.00 0.59 H new ATOM 0 HZ2 TRP A 48 -0.070 -6.058 2.941 1.00 0.46 H new ATOM 0 HZ3 TRP A 48 0.606 -3.203 -0.190 1.00 0.63 H new ATOM 0 HH2 TRP A 48 0.161 -5.514 0.526 1.00 0.53 H new ATOM 906 N PHE A 49 3.681 0.372 2.094 1.00 0.40 N ATOM 907 CA PHE A 49 4.380 0.302 0.807 1.00 0.52 C ATOM 908 C PHE A 49 5.898 0.464 0.939 1.00 0.71 C ATOM 909 O PHE A 49 6.595 0.214 -0.045 1.00 1.20 O ATOM 910 CB PHE A 49 3.875 1.402 -0.149 1.00 0.58 C ATOM 911 CG PHE A 49 2.641 1.027 -0.939 1.00 0.60 C ATOM 912 CD1 PHE A 49 1.452 0.737 -0.247 1.00 0.54 C ATOM 913 CD2 PHE A 49 2.714 0.834 -2.332 1.00 0.73 C ATOM 914 CE1 PHE A 49 0.354 0.203 -0.935 1.00 0.61 C ATOM 915 CE2 PHE A 49 1.604 0.319 -3.018 1.00 0.78 C ATOM 916 CZ PHE A 49 0.460 -0.073 -2.301 1.00 0.69 C ATOM 0 H PHE A 49 3.028 1.154 2.147 1.00 0.40 H new ATOM 0 HA PHE A 49 4.166 -0.691 0.413 1.00 0.52 H new ATOM 0 HB2 PHE A 49 3.661 2.300 0.431 1.00 0.58 H new ATOM 0 HB3 PHE A 49 4.674 1.655 -0.846 1.00 0.58 H new ATOM 0 HD1 PHE A 49 1.385 0.926 0.814 1.00 0.54 H new ATOM 0 HD2 PHE A 49 3.618 1.081 -2.868 1.00 0.73 H new ATOM 0 HE1 PHE A 49 -0.570 0.006 -0.412 1.00 0.61 H new ATOM 0 HE2 PHE A 49 1.628 0.224 -4.094 1.00 0.78 H new ATOM 0 HZ PHE A 49 -0.341 -0.590 -2.808 1.00 0.69 H new ATOM 926 N GLN A 50 6.427 0.945 2.072 1.00 0.57 N ATOM 927 CA GLN A 50 7.861 0.954 2.333 1.00 0.61 C ATOM 928 C GLN A 50 8.302 -0.493 2.521 1.00 0.59 C ATOM 929 O GLN A 50 9.137 -0.994 1.770 1.00 0.78 O ATOM 930 CB GLN A 50 8.191 1.776 3.597 1.00 0.68 C ATOM 931 CG GLN A 50 9.684 2.107 3.727 1.00 0.69 C ATOM 932 CD GLN A 50 9.922 3.590 3.477 1.00 1.67 C ATOM 933 OE1 GLN A 50 9.835 4.042 2.338 1.00 2.85 O ATOM 934 NE2 GLN A 50 10.142 4.373 4.528 1.00 2.09 N ATOM 0 H GLN A 50 5.868 1.337 2.829 1.00 0.57 H new ATOM 0 HA GLN A 50 8.387 1.417 1.498 1.00 0.61 H new ATOM 0 HB2 GLN A 50 7.619 2.704 3.579 1.00 0.68 H new ATOM 0 HB3 GLN A 50 7.870 1.221 4.478 1.00 0.68 H new ATOM 0 HG2 GLN A 50 10.037 1.838 4.722 1.00 0.69 H new ATOM 0 HG3 GLN A 50 10.258 1.515 3.014 1.00 0.69 H new ATOM 0 HE21 GLN A 50 10.209 3.967 5.461 1.00 2.09 H new ATOM 0 HE22 GLN A 50 10.244 5.380 4.401 1.00 2.09 H new ATOM 943 N ASN A 51 7.724 -1.141 3.537 1.00 0.55 N ATOM 944 CA ASN A 51 8.147 -2.455 3.999 1.00 0.64 C ATOM 945 C ASN A 51 7.784 -3.474 2.932 1.00 0.63 C ATOM 946 O ASN A 51 8.638 -4.186 2.406 1.00 0.94 O ATOM 947 CB ASN A 51 7.478 -2.818 5.340 1.00 0.69 C ATOM 948 CG ASN A 51 7.432 -1.671 6.346 1.00 1.59 C ATOM 949 OD1 ASN A 51 6.369 -1.330 6.852 1.00 2.68 O ATOM 950 ND2 ASN A 51 8.567 -1.045 6.631 1.00 2.99 N ATOM 0 H ASN A 51 6.940 -0.758 4.065 1.00 0.55 H new ATOM 0 HA ASN A 51 9.224 -2.451 4.167 1.00 0.64 H new ATOM 0 HB2 ASN A 51 6.461 -3.157 5.146 1.00 0.69 H new ATOM 0 HB3 ASN A 51 8.014 -3.656 5.786 1.00 0.69 H new ATOM 0 HD21 ASN A 51 8.567 -0.261 7.284 1.00 2.99 H new ATOM 0 HD22 ASN A 51 9.439 -1.347 6.197 1.00 2.99 H new ATOM 957 N ARG A 52 6.496 -3.510 2.592 1.00 0.44 N ATOM 958 CA ARG A 52 5.938 -4.305 1.543 1.00 0.57 C ATOM 959 C ARG A 52 6.595 -3.926 0.214 1.00 1.03 C ATOM 960 O ARG A 52 6.126 -2.997 -0.450 1.00 2.71 O ATOM 961 CB ARG A 52 4.437 -4.043 1.610 1.00 0.74 C ATOM 962 CG ARG A 52 3.666 -5.083 0.839 1.00 0.76 C ATOM 963 CD ARG A 52 3.558 -4.771 -0.635 1.00 1.77 C ATOM 964 NE ARG A 52 3.109 -3.401 -0.843 1.00 3.29 N ATOM 965 CZ ARG A 52 3.209 -2.725 -1.988 1.00 4.98 C ATOM 966 NH1 ARG A 52 4.413 -2.352 -2.425 1.00 6.10 N ATOM 967 NH2 ARG A 52 2.107 -2.466 -2.687 1.00 6.04 N ATOM 0 H ARG A 52 5.794 -2.951 3.076 1.00 0.44 H new ATOM 0 HA ARG A 52 6.118 -5.375 1.643 1.00 0.57 H new ATOM 0 HB2 ARG A 52 4.112 -4.043 2.650 1.00 0.74 H new ATOM 0 HB3 ARG A 52 4.220 -3.053 1.208 1.00 0.74 H new ATOM 0 HG2 ARG A 52 4.150 -6.052 0.964 1.00 0.76 H new ATOM 0 HG3 ARG A 52 2.664 -5.170 1.260 1.00 0.76 H new ATOM 0 HD2 ARG A 52 4.526 -4.918 -1.114 1.00 1.77 H new ATOM 0 HD3 ARG A 52 2.860 -5.463 -1.107 1.00 1.77 H new ATOM 0 HE ARG A 52 2.684 -2.921 -0.050 1.00 3.29 H new ATOM 0 HH11 ARG A 52 5.246 -2.584 -1.884 1.00 6.10 H new ATOM 0 HH12 ARG A 52 4.500 -1.835 -3.300 1.00 6.10 H new ATOM 0 HH21 ARG A 52 1.200 -2.784 -2.345 1.00 6.04 H new ATOM 0 HH22 ARG A 52 2.169 -1.950 -3.565 1.00 6.04 H new ATOM 981 N ARG A 53 7.677 -4.645 -0.137 1.00 1.28 N ATOM 982 CA ARG A 53 8.498 -4.592 -1.354 1.00 1.46 C ATOM 983 C ARG A 53 9.998 -4.610 -1.010 1.00 1.04 C ATOM 984 O ARG A 53 10.806 -5.085 -1.813 1.00 1.01 O ATOM 985 CB ARG A 53 8.154 -3.391 -2.244 1.00 2.06 C ATOM 986 CG ARG A 53 8.838 -3.360 -3.614 1.00 2.52 C ATOM 987 CD ARG A 53 8.600 -2.027 -4.350 1.00 2.94 C ATOM 988 NE ARG A 53 9.020 -0.870 -3.543 1.00 2.63 N ATOM 989 CZ ARG A 53 8.237 -0.278 -2.626 1.00 3.21 C ATOM 990 NH1 ARG A 53 6.908 -0.214 -2.781 1.00 4.32 N ATOM 991 NH2 ARG A 53 8.785 0.180 -1.498 1.00 3.97 N ATOM 0 H ARG A 53 8.035 -5.357 0.500 1.00 1.28 H new ATOM 0 HA ARG A 53 8.265 -5.488 -1.929 1.00 1.46 H new ATOM 0 HB2 ARG A 53 7.075 -3.373 -2.397 1.00 2.06 H new ATOM 0 HB3 ARG A 53 8.415 -2.479 -1.708 1.00 2.06 H new ATOM 0 HG2 ARG A 53 9.909 -3.518 -3.488 1.00 2.52 H new ATOM 0 HG3 ARG A 53 8.464 -4.182 -4.224 1.00 2.52 H new ATOM 0 HD2 ARG A 53 9.148 -2.030 -5.292 1.00 2.94 H new ATOM 0 HD3 ARG A 53 7.542 -1.933 -4.597 1.00 2.94 H new ATOM 0 HE ARG A 53 9.958 -0.497 -3.688 1.00 2.63 H new ATOM 0 HH11 ARG A 53 6.471 -0.620 -3.608 1.00 4.32 H new ATOM 0 HH12 ARG A 53 6.333 0.241 -2.072 1.00 4.32 H new ATOM 0 HH21 ARG A 53 9.788 0.079 -1.340 1.00 3.97 H new ATOM 0 HH22 ARG A 53 8.201 0.631 -0.794 1.00 3.97 H new ATOM 1005 N MET A 54 10.415 -4.119 0.161 1.00 0.92 N ATOM 1006 CA MET A 54 11.747 -4.411 0.637 1.00 0.94 C ATOM 1007 C MET A 54 11.837 -5.939 0.802 1.00 0.73 C ATOM 1008 O MET A 54 10.832 -6.598 1.056 1.00 0.75 O ATOM 1009 CB MET A 54 11.998 -3.569 1.901 1.00 1.31 C ATOM 1010 CG MET A 54 12.686 -4.359 3.008 1.00 1.52 C ATOM 1011 SD MET A 54 13.217 -3.428 4.470 1.00 2.27 S ATOM 1012 CE MET A 54 14.520 -2.393 3.764 1.00 4.24 C ATOM 0 H MET A 54 9.854 -3.531 0.777 1.00 0.92 H new ATOM 0 HA MET A 54 12.548 -4.133 -0.048 1.00 0.94 H new ATOM 0 HB2 MET A 54 12.611 -2.706 1.642 1.00 1.31 H new ATOM 0 HB3 MET A 54 11.047 -3.185 2.271 1.00 1.31 H new ATOM 0 HG2 MET A 54 12.007 -5.147 3.335 1.00 1.52 H new ATOM 0 HG3 MET A 54 13.561 -4.849 2.582 1.00 1.52 H new ATOM 0 HE1 MET A 54 15.075 -1.908 4.567 1.00 4.24 H new ATOM 0 HE2 MET A 54 15.198 -3.012 3.177 1.00 4.24 H new ATOM 0 HE3 MET A 54 14.074 -1.634 3.122 1.00 4.24 H new ATOM 1022 N LYS A 55 13.017 -6.501 0.532 1.00 1.02 N ATOM 1023 CA LYS A 55 13.288 -7.935 0.442 1.00 1.27 C ATOM 1024 C LYS A 55 12.819 -8.537 -0.892 1.00 1.11 C ATOM 1025 O LYS A 55 13.295 -9.601 -1.275 1.00 1.65 O ATOM 1026 CB LYS A 55 12.801 -8.724 1.671 1.00 1.74 C ATOM 1027 CG LYS A 55 13.535 -10.073 1.790 1.00 3.11 C ATOM 1028 CD LYS A 55 12.582 -11.277 1.754 1.00 2.83 C ATOM 1029 CE LYS A 55 13.336 -12.590 1.479 1.00 3.99 C ATOM 1030 NZ LYS A 55 14.449 -12.828 2.421 1.00 4.86 N ATOM 0 H LYS A 55 13.851 -5.939 0.362 1.00 1.02 H new ATOM 0 HA LYS A 55 14.373 -8.038 0.453 1.00 1.27 H new ATOM 0 HB2 LYS A 55 12.966 -8.136 2.574 1.00 1.74 H new ATOM 0 HB3 LYS A 55 11.727 -8.896 1.595 1.00 1.74 H new ATOM 0 HG2 LYS A 55 14.255 -10.162 0.977 1.00 3.11 H new ATOM 0 HG3 LYS A 55 14.101 -10.092 2.721 1.00 3.11 H new ATOM 0 HD2 LYS A 55 12.054 -11.352 2.705 1.00 2.83 H new ATOM 0 HD3 LYS A 55 11.828 -11.122 0.982 1.00 2.83 H new ATOM 0 HE2 LYS A 55 12.635 -13.423 1.536 1.00 3.99 H new ATOM 0 HE3 LYS A 55 13.727 -12.571 0.462 1.00 3.99 H new ATOM 0 HZ1 LYS A 55 14.395 -13.801 2.783 1.00 4.86 H new ATOM 0 HZ2 LYS A 55 15.355 -12.691 1.929 1.00 4.86 H new ATOM 0 HZ3 LYS A 55 14.381 -12.159 3.215 1.00 4.86 H new ATOM 1044 N TRP A 56 11.966 -7.842 -1.653 1.00 0.93 N ATOM 1045 CA TRP A 56 11.931 -8.049 -3.093 1.00 1.13 C ATOM 1046 C TRP A 56 13.048 -7.173 -3.669 1.00 1.09 C ATOM 1047 O TRP A 56 14.055 -7.693 -4.159 1.00 1.22 O ATOM 1048 CB TRP A 56 10.525 -7.786 -3.663 1.00 1.38 C ATOM 1049 CG TRP A 56 10.357 -7.884 -5.151 1.00 1.39 C ATOM 1050 CD1 TRP A 56 10.082 -9.010 -5.841 1.00 1.69 C ATOM 1051 CD2 TRP A 56 10.407 -6.820 -6.147 1.00 1.43 C ATOM 1052 NE1 TRP A 56 9.951 -8.714 -7.185 1.00 1.75 N ATOM 1053 CE2 TRP A 56 10.178 -7.380 -7.435 1.00 1.57 C ATOM 1054 CE3 TRP A 56 10.594 -5.428 -6.084 1.00 1.72 C ATOM 1055 CZ2 TRP A 56 10.183 -6.605 -8.604 1.00 1.80 C ATOM 1056 CZ3 TRP A 56 10.638 -4.638 -7.248 1.00 2.06 C ATOM 1057 CH2 TRP A 56 10.449 -5.228 -8.510 1.00 2.03 C ATOM 0 H TRP A 56 11.307 -7.148 -1.300 1.00 0.93 H new ATOM 0 HA TRP A 56 12.118 -9.084 -3.378 1.00 1.13 H new ATOM 0 HB2 TRP A 56 9.835 -8.491 -3.198 1.00 1.38 H new ATOM 0 HB3 TRP A 56 10.217 -6.787 -3.354 1.00 1.38 H new ATOM 0 HD1 TRP A 56 9.980 -9.994 -5.409 1.00 1.69 H new ATOM 0 HE1 TRP A 56 9.715 -9.400 -7.903 1.00 1.75 H new ATOM 0 HE3 TRP A 56 10.706 -4.954 -5.120 1.00 1.72 H new ATOM 0 HZ2 TRP A 56 9.985 -7.060 -9.563 1.00 1.80 H new ATOM 0 HZ3 TRP A 56 10.817 -3.576 -7.172 1.00 2.06 H new ATOM 0 HH2 TRP A 56 10.508 -4.625 -9.404 1.00 2.03 H new ATOM 1068 N LYS A 57 12.945 -5.842 -3.541 1.00 1.05 N ATOM 1069 CA LYS A 57 13.844 -4.935 -4.245 1.00 1.32 C ATOM 1070 C LYS A 57 15.248 -4.842 -3.637 1.00 1.34 C ATOM 1071 O LYS A 57 16.045 -4.028 -4.095 1.00 1.70 O ATOM 1072 CB LYS A 57 13.176 -3.565 -4.392 1.00 1.65 C ATOM 1073 CG LYS A 57 13.609 -2.523 -3.358 1.00 1.82 C ATOM 1074 CD LYS A 57 12.490 -1.488 -3.276 1.00 2.54 C ATOM 1075 CE LYS A 57 12.993 -0.096 -2.859 1.00 3.54 C ATOM 1076 NZ LYS A 57 13.891 0.511 -3.869 1.00 4.15 N ATOM 0 H LYS A 57 12.249 -5.378 -2.958 1.00 1.05 H new ATOM 0 HA LYS A 57 14.017 -5.356 -5.235 1.00 1.32 H new ATOM 0 HB2 LYS A 57 13.390 -3.178 -5.388 1.00 1.65 H new ATOM 0 HB3 LYS A 57 12.096 -3.695 -4.325 1.00 1.65 H new ATOM 0 HG2 LYS A 57 13.776 -2.989 -2.387 1.00 1.82 H new ATOM 0 HG3 LYS A 57 14.548 -2.054 -3.652 1.00 1.82 H new ATOM 0 HD2 LYS A 57 11.997 -1.415 -4.245 1.00 2.54 H new ATOM 0 HD3 LYS A 57 11.740 -1.827 -2.562 1.00 2.54 H new ATOM 0 HE2 LYS A 57 12.139 0.561 -2.696 1.00 3.54 H new ATOM 0 HE3 LYS A 57 13.521 -0.174 -1.909 1.00 3.54 H new ATOM 0 HZ1 LYS A 57 13.958 1.536 -3.703 1.00 4.15 H new ATOM 0 HZ2 LYS A 57 14.837 0.086 -3.793 1.00 4.15 H new ATOM 0 HZ3 LYS A 57 13.510 0.338 -4.821 1.00 4.15 H new ATOM 1090 N LYS A 58 15.564 -5.667 -2.634 1.00 1.15 N ATOM 1091 CA LYS A 58 16.917 -5.782 -2.115 1.00 1.41 C ATOM 1092 C LYS A 58 17.328 -7.241 -1.883 1.00 1.48 C ATOM 1093 O LYS A 58 18.283 -7.497 -1.158 1.00 2.02 O ATOM 1094 CB LYS A 58 17.072 -4.852 -0.898 1.00 1.66 C ATOM 1095 CG LYS A 58 18.502 -4.847 -0.343 1.00 2.65 C ATOM 1096 CD LYS A 58 18.830 -3.585 0.462 1.00 3.37 C ATOM 1097 CE LYS A 58 20.306 -3.577 0.893 1.00 4.28 C ATOM 1098 NZ LYS A 58 20.674 -4.762 1.701 1.00 4.36 N ATOM 0 H LYS A 58 14.887 -6.269 -2.165 1.00 1.15 H new ATOM 0 HA LYS A 58 17.634 -5.440 -2.861 1.00 1.41 H new ATOM 0 HB2 LYS A 58 16.792 -3.838 -1.182 1.00 1.66 H new ATOM 0 HB3 LYS A 58 16.382 -5.166 -0.114 1.00 1.66 H new ATOM 0 HG2 LYS A 58 18.642 -5.722 0.292 1.00 2.65 H new ATOM 0 HG3 LYS A 58 19.207 -4.937 -1.170 1.00 2.65 H new ATOM 0 HD2 LYS A 58 18.618 -2.700 -0.138 1.00 3.37 H new ATOM 0 HD3 LYS A 58 18.190 -3.534 1.343 1.00 3.37 H new ATOM 0 HE2 LYS A 58 20.939 -3.537 0.006 1.00 4.28 H new ATOM 0 HE3 LYS A 58 20.507 -2.674 1.469 1.00 4.28 H new ATOM 0 HZ1 LYS A 58 21.636 -4.641 2.077 1.00 4.36 H new ATOM 0 HZ2 LYS A 58 20.004 -4.866 2.490 1.00 4.36 H new ATOM 0 HZ3 LYS A 58 20.640 -5.613 1.104 1.00 4.36 H new ATOM 1112 N GLU A 59 16.688 -8.180 -2.591 1.00 1.23 N ATOM 1113 CA GLU A 59 17.061 -9.594 -2.534 1.00 1.44 C ATOM 1114 C GLU A 59 16.731 -10.390 -3.811 1.00 1.60 C ATOM 1115 O GLU A 59 17.077 -11.566 -3.880 1.00 2.06 O ATOM 1116 CB GLU A 59 16.463 -10.223 -1.263 1.00 1.71 C ATOM 1117 CG GLU A 59 17.512 -10.466 -0.165 1.00 2.42 C ATOM 1118 CD GLU A 59 16.868 -10.502 1.212 1.00 2.58 C ATOM 1119 OE1 GLU A 59 16.555 -9.410 1.730 1.00 3.54 O ATOM 1120 OE2 GLU A 59 16.609 -11.622 1.702 1.00 2.77 O ATOM 0 H GLU A 59 15.905 -7.981 -3.213 1.00 1.23 H new ATOM 0 HA GLU A 59 18.148 -9.646 -2.481 1.00 1.44 H new ATOM 0 HB2 GLU A 59 15.682 -9.570 -0.874 1.00 1.71 H new ATOM 0 HB3 GLU A 59 15.988 -11.170 -1.521 1.00 1.71 H new ATOM 0 HG2 GLU A 59 18.028 -11.408 -0.353 1.00 2.42 H new ATOM 0 HG3 GLU A 59 18.265 -9.678 -0.197 1.00 2.42 H new ATOM 1127 N ASN A 60 16.099 -9.789 -4.832 1.00 1.62 N ATOM 1128 CA ASN A 60 15.825 -10.503 -6.085 1.00 2.11 C ATOM 1129 C ASN A 60 17.020 -10.515 -7.047 1.00 2.62 C ATOM 1130 O ASN A 60 17.170 -11.464 -7.812 1.00 3.74 O ATOM 1131 CB ASN A 60 14.568 -9.968 -6.785 1.00 2.11 C ATOM 1132 CG ASN A 60 14.812 -8.667 -7.546 1.00 2.80 C ATOM 1133 OD1 ASN A 60 15.167 -8.672 -8.719 1.00 3.89 O ATOM 1134 ND2 ASN A 60 14.622 -7.531 -6.885 1.00 4.03 N ATOM 0 H ASN A 60 15.773 -8.823 -4.814 1.00 1.62 H new ATOM 0 HA ASN A 60 15.641 -11.538 -5.798 1.00 2.11 H new ATOM 0 HB2 ASN A 60 14.197 -10.723 -7.478 1.00 2.11 H new ATOM 0 HB3 ASN A 60 13.787 -9.806 -6.042 1.00 2.11 H new ATOM 0 HD21 ASN A 60 14.772 -6.637 -7.353 1.00 4.03 H new ATOM 0 HD22 ASN A 60 14.326 -7.552 -5.909 1.00 4.03 H new ATOM 1141 N LYS A 61 17.828 -9.448 -7.051 1.00 2.44 N ATOM 1142 CA LYS A 61 18.938 -9.263 -7.980 1.00 3.16 C ATOM 1143 C LYS A 61 20.264 -9.440 -7.222 1.00 4.08 C ATOM 1144 O LYS A 61 20.359 -10.333 -6.385 1.00 4.67 O ATOM 1145 CB LYS A 61 18.758 -7.923 -8.727 1.00 3.76 C ATOM 1146 CG LYS A 61 19.100 -8.061 -10.221 1.00 4.56 C ATOM 1147 CD LYS A 61 18.940 -6.711 -10.942 1.00 5.24 C ATOM 1148 CE LYS A 61 18.762 -6.854 -12.463 1.00 6.12 C ATOM 1149 NZ LYS A 61 19.892 -7.541 -13.123 1.00 6.87 N ATOM 0 H LYS A 61 17.722 -8.676 -6.393 1.00 2.44 H new ATOM 0 HA LYS A 61 18.956 -10.021 -8.763 1.00 3.16 H new ATOM 0 HB2 LYS A 61 17.729 -7.580 -8.618 1.00 3.76 H new ATOM 0 HB3 LYS A 61 19.397 -7.164 -8.275 1.00 3.76 H new ATOM 0 HG2 LYS A 61 20.123 -8.420 -10.333 1.00 4.56 H new ATOM 0 HG3 LYS A 61 18.449 -8.804 -10.681 1.00 4.56 H new ATOM 0 HD2 LYS A 61 18.078 -6.186 -10.530 1.00 5.24 H new ATOM 0 HD3 LYS A 61 19.815 -6.093 -10.742 1.00 5.24 H new ATOM 0 HE2 LYS A 61 17.844 -7.406 -12.664 1.00 6.12 H new ATOM 0 HE3 LYS A 61 18.642 -5.864 -12.902 1.00 6.12 H new ATOM 0 HZ1 LYS A 61 19.710 -7.605 -14.145 1.00 6.87 H new ATOM 0 HZ2 LYS A 61 20.768 -7.004 -12.960 1.00 6.87 H new ATOM 0 HZ3 LYS A 61 19.994 -8.498 -12.729 1.00 6.87 H new ATOM 1163 N THR A 62 21.276 -8.601 -7.487 1.00 4.72 N ATOM 1164 CA THR A 62 22.565 -8.602 -6.792 1.00 5.96 C ATOM 1165 C THR A 62 23.248 -9.975 -6.832 1.00 6.75 C ATOM 1166 O THR A 62 23.112 -10.775 -5.911 1.00 7.43 O ATOM 1167 CB THR A 62 22.442 -8.033 -5.364 1.00 6.37 C ATOM 1168 OG1 THR A 62 21.347 -8.573 -4.658 1.00 5.97 O ATOM 1169 CG2 THR A 62 22.256 -6.515 -5.411 1.00 6.49 C ATOM 0 H THR A 62 21.216 -7.885 -8.211 1.00 4.72 H new ATOM 0 HA THR A 62 23.225 -7.928 -7.338 1.00 5.96 H new ATOM 0 HB THR A 62 23.364 -8.304 -4.850 1.00 6.37 H new ATOM 0 HG1 THR A 62 21.150 -9.471 -4.997 1.00 5.97 H new ATOM 0 HG21 THR A 62 22.171 -6.127 -4.396 1.00 6.49 H new ATOM 0 HG22 THR A 62 23.115 -6.058 -5.903 1.00 6.49 H new ATOM 0 HG23 THR A 62 21.350 -6.277 -5.968 1.00 6.49 H new ATOM 1177 N LYS A 63 23.998 -10.220 -7.912 1.00 7.19 N ATOM 1178 CA LYS A 63 24.767 -11.440 -8.127 1.00 8.26 C ATOM 1179 C LYS A 63 25.666 -11.751 -6.909 1.00 9.28 C ATOM 1180 O LYS A 63 26.026 -10.836 -6.168 1.00 9.41 O ATOM 1181 CB LYS A 63 25.532 -11.272 -9.455 1.00 8.83 C ATOM 1182 CG LYS A 63 26.887 -10.566 -9.304 1.00 9.50 C ATOM 1183 CD LYS A 63 27.638 -10.567 -10.646 1.00 10.24 C ATOM 1184 CE LYS A 63 29.156 -10.718 -10.481 1.00 11.27 C ATOM 1185 NZ LYS A 63 29.516 -12.043 -9.934 1.00 12.09 N ATOM 0 H LYS A 63 24.086 -9.553 -8.679 1.00 7.19 H new ATOM 0 HA LYS A 63 24.121 -12.314 -8.214 1.00 8.26 H new ATOM 0 HB2 LYS A 63 25.692 -12.255 -9.898 1.00 8.83 H new ATOM 0 HB3 LYS A 63 24.913 -10.706 -10.151 1.00 8.83 H new ATOM 0 HG2 LYS A 63 26.736 -9.541 -8.964 1.00 9.50 H new ATOM 0 HG3 LYS A 63 27.485 -11.069 -8.544 1.00 9.50 H new ATOM 0 HD2 LYS A 63 27.262 -11.381 -11.266 1.00 10.24 H new ATOM 0 HD3 LYS A 63 27.426 -9.638 -11.176 1.00 10.24 H new ATOM 0 HE2 LYS A 63 29.643 -10.578 -11.446 1.00 11.27 H new ATOM 0 HE3 LYS A 63 29.530 -9.937 -9.819 1.00 11.27 H new ATOM 0 HZ1 LYS A 63 30.468 -12.306 -10.260 1.00 12.09 H new ATOM 0 HZ2 LYS A 63 29.504 -12.004 -8.895 1.00 12.09 H new ATOM 0 HZ3 LYS A 63 28.830 -12.752 -10.262 1.00 12.09 H new ATOM 1199 N GLY A 64 26.064 -13.013 -6.705 1.00 10.41 N ATOM 1200 CA GLY A 64 26.753 -13.445 -5.487 1.00 11.62 C ATOM 1201 C GLY A 64 27.549 -14.749 -5.621 1.00 13.07 C ATOM 1202 O GLY A 64 27.794 -15.426 -4.627 1.00 14.03 O ATOM 0 H GLY A 64 25.916 -13.762 -7.381 1.00 10.41 H new ATOM 0 HA2 GLY A 64 27.432 -12.653 -5.171 1.00 11.62 H new ATOM 0 HA3 GLY A 64 26.015 -13.567 -4.694 1.00 11.62 H new ATOM 1206 N GLU A 65 27.963 -15.101 -6.840 1.00 13.52 N ATOM 1207 CA GLU A 65 28.711 -16.315 -7.141 1.00 15.06 C ATOM 1208 C GLU A 65 30.075 -16.337 -6.429 1.00 16.04 C ATOM 1209 O GLU A 65 30.365 -17.313 -5.741 1.00 17.20 O ATOM 1210 CB GLU A 65 28.842 -16.582 -8.661 1.00 15.54 C ATOM 1211 CG GLU A 65 27.608 -16.252 -9.519 1.00 14.86 C ATOM 1212 CD GLU A 65 27.484 -14.758 -9.763 1.00 14.12 C ATOM 1213 OE1 GLU A 65 28.271 -14.217 -10.569 1.00 14.28 O ATOM 1214 OE2 GLU A 65 26.722 -14.134 -8.998 1.00 13.76 O ATOM 0 H GLU A 65 27.780 -14.531 -7.666 1.00 13.52 H new ATOM 0 HA GLU A 65 28.125 -17.143 -6.741 1.00 15.06 H new ATOM 0 HB2 GLU A 65 29.686 -16.004 -9.039 1.00 15.54 H new ATOM 0 HB3 GLU A 65 29.087 -17.635 -8.804 1.00 15.54 H new ATOM 0 HG2 GLU A 65 27.677 -16.773 -10.474 1.00 14.86 H new ATOM 0 HG3 GLU A 65 26.709 -16.616 -9.021 1.00 14.86 H new ATOM 1221 N PRO A 66 30.941 -15.315 -6.590 1.00 15.82 N ATOM 1222 CA PRO A 66 32.217 -15.280 -5.895 1.00 16.88 C ATOM 1223 C PRO A 66 31.992 -14.929 -4.419 1.00 17.03 C ATOM 1224 O PRO A 66 32.189 -13.784 -4.014 1.00 16.70 O ATOM 1225 CB PRO A 66 33.046 -14.231 -6.641 1.00 16.68 C ATOM 1226 CG PRO A 66 31.991 -13.235 -7.117 1.00 15.18 C ATOM 1227 CD PRO A 66 30.815 -14.148 -7.460 1.00 14.82 C ATOM 0 HA PRO A 66 32.737 -16.238 -5.892 1.00 16.88 H new ATOM 0 HB2 PRO A 66 33.781 -13.759 -5.989 1.00 16.68 H new ATOM 0 HB3 PRO A 66 33.594 -14.668 -7.476 1.00 16.68 H new ATOM 0 HG2 PRO A 66 31.733 -12.513 -6.342 1.00 15.18 H new ATOM 0 HG3 PRO A 66 32.330 -12.666 -7.982 1.00 15.18 H new ATOM 0 HD2 PRO A 66 29.865 -13.639 -7.294 1.00 14.82 H new ATOM 0 HD3 PRO A 66 30.841 -14.440 -8.510 1.00 14.82 H new ATOM 1235 N GLY A 67 31.587 -15.913 -3.620 1.00 17.81 N ATOM 1236 CA GLY A 67 31.369 -15.802 -2.193 1.00 18.50 C ATOM 1237 C GLY A 67 31.285 -17.218 -1.626 1.00 19.69 C ATOM 1238 O GLY A 67 31.391 -18.150 -2.457 1.00 19.88 O ATOM 1239 OXT GLY A 67 31.118 -17.327 -0.393 1.00 20.55 O ATOM 0 H GLY A 67 31.395 -16.850 -3.973 1.00 17.81 H new ATOM 0 HA2 GLY A 67 32.183 -15.249 -1.723 1.00 18.50 H new ATOM 0 HA3 GLY A 67 30.450 -15.252 -1.988 1.00 18.50 H new TER 1243 GLY A 67