USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 25 TYR OH : rot -26:sc= 0.494 USER MOD Set 1.2: A 29 THR OG1 : rot -55:sc= 0.0138 USER MOD Set 1.3: A 57 THR OG1 : rot -80:sc= 0.0308 USER MOD Set 1.4: A 64 SER OG : rot 180:sc= 0.706 USER MOD Single : A 1 MET CE :methyl -134:sc= -2.6 (180deg=-7.41!) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.15 (180deg=0.489!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.52 K(o=-2.5,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -5.1! C(o=-5.1!,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.017) USER MOD Single : A 37 ASN : amide:sc=-0.000722 X(o=-0.00072,f=-0.28) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.165) USER MOD Single : A 42 MET CE :methyl -128:sc= -1.42 (180deg=-4.75!) USER MOD Single : A 44 ASN : amide:sc= -4.88! C(o=-4.9!,f=-4.3!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 149:sc= -2.49 (180deg=-3.31!) USER MOD Single : A 62 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0891) USER MOD Single : A 67 TYR OH : rot -119:sc= 0.958 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -104:sc= -0.0597 (180deg=-1.93!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.263 K(o=-0.26,f=-2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.24! C(o=-4.2!,f=-4.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.496 -10.323 8.581 1.00 0.00 N ATOM 2 CA MET A 1 -11.085 -10.645 8.713 1.00 0.00 C ATOM 3 C MET A 1 -10.515 -10.088 10.020 1.00 0.00 C ATOM 4 O MET A 1 -11.245 -9.508 10.822 1.00 0.00 O ATOM 5 CB MET A 1 -10.314 -10.058 7.529 1.00 0.00 C ATOM 6 CG MET A 1 -10.292 -8.529 7.593 1.00 0.00 C ATOM 7 SD MET A 1 -11.878 -7.875 7.101 1.00 0.00 S ATOM 8 CE MET A 1 -11.489 -6.134 7.037 1.00 0.00 C ATOM 0 H1 MET A 1 -12.914 -10.900 7.823 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.983 -10.523 9.478 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.602 -9.315 8.347 1.00 0.00 H new ATOM 0 HA MET A 1 -10.979 -11.730 8.725 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.293 -10.440 7.530 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.774 -10.380 6.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.053 -8.203 8.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.511 -8.141 6.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.273 -5.567 7.539 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.536 -5.955 7.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.420 -5.815 5.997 1.00 0.00 H new ATOM 18 N ASP A 2 -9.216 -10.284 10.192 1.00 0.00 N ATOM 19 CA ASP A 2 -8.540 -9.808 11.387 1.00 0.00 C ATOM 20 C ASP A 2 -7.555 -8.702 11.005 1.00 0.00 C ATOM 21 O ASP A 2 -6.857 -8.808 9.998 1.00 0.00 O ATOM 22 CB ASP A 2 -7.750 -10.934 12.058 1.00 0.00 C ATOM 23 CG ASP A 2 -8.088 -11.173 13.531 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.295 -11.125 13.851 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.131 -11.398 14.303 1.00 0.00 O ATOM 0 H ASP A 2 -8.614 -10.766 9.524 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.297 -9.437 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.924 -11.858 11.506 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.686 -10.710 11.977 1.00 0.00 H new ATOM 30 N ILE A 3 -7.531 -7.665 11.829 1.00 0.00 N ATOM 31 CA ILE A 3 -6.643 -6.540 11.590 1.00 0.00 C ATOM 32 C ILE A 3 -5.762 -6.320 12.822 1.00 0.00 C ATOM 33 O ILE A 3 -6.262 -6.263 13.945 1.00 0.00 O ATOM 34 CB ILE A 3 -7.444 -5.303 11.178 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.267 -5.579 9.918 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.529 -4.088 11.011 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.695 -4.272 9.246 1.00 0.00 C ATOM 0 H ILE A 3 -8.112 -7.580 12.663 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.976 -6.752 10.754 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.147 -5.068 11.977 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.681 -6.176 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.149 -6.165 10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.123 -3.223 10.718 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.025 -3.880 11.955 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.786 -4.295 10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.278 -4.496 8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.301 -3.688 9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.810 -3.700 8.967 1.00 0.00 H new ATOM 49 N LYS A 4 -4.467 -6.202 12.571 1.00 0.00 N ATOM 50 CA LYS A 4 -3.512 -5.989 13.646 1.00 0.00 C ATOM 51 C LYS A 4 -2.705 -4.721 13.361 1.00 0.00 C ATOM 52 O LYS A 4 -1.930 -4.675 12.407 1.00 0.00 O ATOM 53 CB LYS A 4 -2.648 -7.235 13.849 1.00 0.00 C ATOM 54 CG LYS A 4 -1.759 -7.491 12.631 1.00 0.00 C ATOM 55 CD LYS A 4 -1.303 -8.950 12.581 1.00 0.00 C ATOM 56 CE LYS A 4 0.129 -9.096 13.099 1.00 0.00 C ATOM 57 NZ LYS A 4 0.887 -10.055 12.264 1.00 0.00 N ATOM 0 H LYS A 4 -4.056 -6.250 11.639 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.031 -5.831 14.591 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.028 -7.111 14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.287 -8.100 14.025 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.305 -7.246 11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.889 -6.836 12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.974 -9.565 13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.362 -9.318 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.626 -8.126 13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.115 -9.438 14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.857 -10.142 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.421 -10.984 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.916 -9.713 11.282 1.00 0.00 H new ATOM 71 N ILE A 5 -2.915 -3.722 14.207 1.00 0.00 N ATOM 72 CA ILE A 5 -2.216 -2.457 14.058 1.00 0.00 C ATOM 73 C ILE A 5 -0.716 -2.680 14.263 1.00 0.00 C ATOM 74 O ILE A 5 -0.286 -3.081 15.344 1.00 0.00 O ATOM 75 CB ILE A 5 -2.813 -1.402 14.992 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.280 -1.134 14.648 1.00 0.00 C ATOM 77 CG2 ILE A 5 -1.977 -0.121 14.978 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.128 -1.019 15.917 1.00 0.00 C ATOM 0 H ILE A 5 -3.559 -3.763 14.997 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.346 -2.067 13.048 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.787 -1.791 16.010 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.359 -0.214 14.069 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.664 -1.939 14.022 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.423 0.612 15.650 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.962 -0.345 15.307 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.949 0.284 13.966 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.166 -0.829 15.645 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.066 -1.949 16.482 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.757 -0.197 16.529 1.00 0.00 H new ATOM 90 N ILE A 6 0.039 -2.412 13.208 1.00 0.00 N ATOM 91 CA ILE A 6 1.481 -2.579 13.258 1.00 0.00 C ATOM 92 C ILE A 6 2.106 -1.373 13.963 1.00 0.00 C ATOM 93 O ILE A 6 2.623 -1.498 15.072 1.00 0.00 O ATOM 94 CB ILE A 6 2.041 -2.828 11.856 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.537 -4.159 11.293 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.569 -2.747 11.853 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.459 -5.310 11.699 1.00 0.00 C ATOM 0 H ILE A 6 -0.321 -2.080 12.313 1.00 0.00 H new ATOM 0 HA ILE A 6 1.741 -3.462 13.842 1.00 0.00 H new ATOM 0 HB ILE A 6 1.676 -2.040 11.198 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.527 -4.352 11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.480 -4.100 10.206 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.941 -2.928 10.845 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.881 -1.756 12.183 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.975 -3.499 12.530 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.078 -6.244 11.286 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.462 -5.126 11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.495 -5.382 12.786 1.00 0.00 H new ATOM 109 N LYS A 7 2.036 -0.233 13.292 1.00 0.00 N ATOM 110 CA LYS A 7 2.588 0.994 13.840 1.00 0.00 C ATOM 111 C LYS A 7 1.758 2.184 13.354 1.00 0.00 C ATOM 112 O LYS A 7 1.144 2.123 12.289 1.00 0.00 O ATOM 113 CB LYS A 7 4.077 1.107 13.509 1.00 0.00 C ATOM 114 CG LYS A 7 4.936 0.546 14.645 1.00 0.00 C ATOM 115 CD LYS A 7 6.426 0.714 14.340 1.00 0.00 C ATOM 116 CE LYS A 7 7.097 1.626 15.369 1.00 0.00 C ATOM 117 NZ LYS A 7 8.519 1.255 15.541 1.00 0.00 N ATOM 0 H LYS A 7 1.605 -0.133 12.373 1.00 0.00 H new ATOM 0 HA LYS A 7 2.527 0.986 14.928 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.290 0.567 12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.336 2.151 13.334 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.692 1.057 15.577 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.708 -0.510 14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.913 -0.261 14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.552 1.132 13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.022 2.665 15.047 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.577 1.551 16.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.959 1.884 16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.584 0.270 15.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.015 1.350 14.632 1.00 0.00 H new ATOM 131 N ASP A 8 1.766 3.238 14.156 1.00 0.00 N ATOM 132 CA ASP A 8 1.021 4.439 13.821 1.00 0.00 C ATOM 133 C ASP A 8 1.974 5.636 13.803 1.00 0.00 C ATOM 134 O ASP A 8 2.514 6.019 14.839 1.00 0.00 O ATOM 135 CB ASP A 8 -0.069 4.719 14.857 1.00 0.00 C ATOM 136 CG ASP A 8 -0.511 6.181 14.953 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.364 6.886 13.931 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.985 6.560 16.045 1.00 0.00 O ATOM 0 H ASP A 8 2.277 3.285 15.038 1.00 0.00 H new ATOM 0 HA ASP A 8 0.560 4.288 12.845 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.939 4.107 14.621 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.290 4.399 15.835 1.00 0.00 H new ATOM 143 N LYS A 9 2.151 6.193 12.614 1.00 0.00 N ATOM 144 CA LYS A 9 3.030 7.338 12.447 1.00 0.00 C ATOM 145 C LYS A 9 2.190 8.615 12.388 1.00 0.00 C ATOM 146 O LYS A 9 1.066 8.601 11.888 1.00 0.00 O ATOM 147 CB LYS A 9 3.940 7.143 11.233 1.00 0.00 C ATOM 148 CG LYS A 9 4.616 8.458 10.838 1.00 0.00 C ATOM 149 CD LYS A 9 6.053 8.217 10.371 1.00 0.00 C ATOM 150 CE LYS A 9 6.600 9.438 9.629 1.00 0.00 C ATOM 151 NZ LYS A 9 7.595 10.149 10.464 1.00 0.00 N ATOM 0 H LYS A 9 1.701 5.873 11.757 1.00 0.00 H new ATOM 0 HA LYS A 9 3.698 7.434 13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.698 6.394 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.357 6.763 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.047 8.939 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.616 9.141 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.686 7.995 11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.086 7.345 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.060 9.125 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.782 10.112 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.956 10.975 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.145 10.464 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.383 9.508 10.686 1.00 0.00 H new ATOM 165 N LYS A 10 2.767 9.690 12.904 1.00 0.00 N ATOM 166 CA LYS A 10 2.085 10.973 12.916 1.00 0.00 C ATOM 167 C LYS A 10 2.692 11.878 11.841 1.00 0.00 C ATOM 168 O LYS A 10 3.897 11.836 11.597 1.00 0.00 O ATOM 169 CB LYS A 10 2.113 11.582 14.319 1.00 0.00 C ATOM 170 CG LYS A 10 1.370 12.919 14.351 1.00 0.00 C ATOM 171 CD LYS A 10 0.321 12.937 15.465 1.00 0.00 C ATOM 172 CE LYS A 10 -0.986 13.564 14.977 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.062 14.985 15.383 1.00 0.00 N ATOM 0 H LYS A 10 3.700 9.699 13.317 1.00 0.00 H new ATOM 0 HA LYS A 10 1.031 10.846 12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.657 10.891 15.028 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.146 11.728 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.081 13.731 14.503 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.888 13.094 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.134 11.920 15.810 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.701 13.498 16.319 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.051 13.486 13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.834 13.016 15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.955 15.396 15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.022 15.052 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.263 15.507 14.971 1.00 0.00 H new ATOM 187 N ASN A 11 1.829 12.675 11.227 1.00 0.00 N ATOM 188 CA ASN A 11 2.265 13.588 10.184 1.00 0.00 C ATOM 189 C ASN A 11 1.314 14.785 10.131 1.00 0.00 C ATOM 190 O ASN A 11 0.402 14.822 9.308 1.00 0.00 O ATOM 191 CB ASN A 11 2.246 12.908 8.814 1.00 0.00 C ATOM 192 CG ASN A 11 2.586 13.904 7.703 1.00 0.00 C ATOM 193 OD1 ASN A 11 1.808 14.778 7.358 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.788 13.723 7.164 1.00 0.00 N ATOM 0 H ASN A 11 0.830 12.707 11.432 1.00 0.00 H new ATOM 0 HA ASN A 11 3.282 13.904 10.415 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.962 12.086 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.262 12.476 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.108 14.336 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.390 12.971 7.500 1.00 0.00 H new ATOM 201 N PRO A 12 1.568 15.761 11.044 1.00 0.00 N ATOM 202 CA PRO A 12 0.745 16.957 11.109 1.00 0.00 C ATOM 203 C PRO A 12 1.066 17.907 9.954 1.00 0.00 C ATOM 204 O PRO A 12 0.270 18.786 9.628 1.00 0.00 O ATOM 205 CB PRO A 12 1.037 17.561 12.473 1.00 0.00 C ATOM 206 CG PRO A 12 2.348 16.945 12.931 1.00 0.00 C ATOM 207 CD PRO A 12 2.640 15.752 12.035 1.00 0.00 C ATOM 0 HA PRO A 12 -0.318 16.742 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.117 18.646 12.410 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.235 17.340 13.177 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.155 17.675 12.870 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.280 16.632 13.973 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.618 15.842 11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.646 14.822 12.603 1.00 0.00 H new ATOM 215 N LEU A 13 2.234 17.697 9.365 1.00 0.00 N ATOM 216 CA LEU A 13 2.671 18.524 8.252 1.00 0.00 C ATOM 217 C LEU A 13 1.669 18.395 7.103 1.00 0.00 C ATOM 218 O LEU A 13 1.102 19.391 6.655 1.00 0.00 O ATOM 219 CB LEU A 13 4.107 18.176 7.857 1.00 0.00 C ATOM 220 CG LEU A 13 5.138 18.200 8.987 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.510 17.740 8.488 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.201 19.581 9.643 1.00 0.00 C ATOM 0 H LEU A 13 2.891 16.966 9.637 1.00 0.00 H new ATOM 0 HA LEU A 13 2.691 19.574 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.109 17.181 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.429 18.873 7.083 1.00 0.00 H new ATOM 0 HG LEU A 13 4.820 17.493 9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.224 17.767 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.435 16.722 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.849 18.403 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.941 19.570 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.482 20.325 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.224 19.832 10.056 1.00 0.00 H new ATOM 234 N LEU A 14 1.481 17.161 6.659 1.00 0.00 N ATOM 235 CA LEU A 14 0.557 16.890 5.571 1.00 0.00 C ATOM 236 C LEU A 14 -0.859 16.749 6.134 1.00 0.00 C ATOM 237 O LEU A 14 -1.802 16.480 5.391 1.00 0.00 O ATOM 238 CB LEU A 14 1.021 15.676 4.764 1.00 0.00 C ATOM 239 CG LEU A 14 2.520 15.605 4.463 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.912 14.214 3.961 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.935 16.705 3.485 1.00 0.00 C ATOM 0 H LEU A 14 1.953 16.338 7.033 1.00 0.00 H new ATOM 0 HA LEU A 14 0.540 17.723 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.736 14.774 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.479 15.665 3.818 1.00 0.00 H new ATOM 0 HG LEU A 14 3.064 15.778 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.982 14.190 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.673 13.472 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.361 13.988 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.005 16.632 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.385 16.588 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.711 17.680 3.918 1.00 0.00 H new ATOM 253 N ASN A 15 -0.964 16.937 7.441 1.00 0.00 N ATOM 254 CA ASN A 15 -2.249 16.834 8.111 1.00 0.00 C ATOM 255 C ASN A 15 -2.842 15.447 7.857 1.00 0.00 C ATOM 256 O ASN A 15 -4.019 15.323 7.520 1.00 0.00 O ATOM 257 CB ASN A 15 -3.234 17.875 7.576 1.00 0.00 C ATOM 258 CG ASN A 15 -2.815 19.288 7.987 1.00 0.00 C ATOM 259 OD1 ASN A 15 -2.355 20.084 7.185 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.000 19.554 9.277 1.00 0.00 N ATOM 0 H ASN A 15 -0.180 17.160 8.054 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.089 17.003 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.284 17.808 6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.234 17.664 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.752 20.471 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.390 18.841 9.894 1.00 0.00 H new ATOM 267 N ARG A 16 -2.001 14.438 8.029 1.00 0.00 N ATOM 268 CA ARG A 16 -2.428 13.064 7.822 1.00 0.00 C ATOM 269 C ARG A 16 -1.809 12.151 8.883 1.00 0.00 C ATOM 270 O ARG A 16 -1.220 12.629 9.851 1.00 0.00 O ATOM 271 CB ARG A 16 -2.026 12.566 6.433 1.00 0.00 C ATOM 272 CG ARG A 16 -0.540 12.205 6.388 1.00 0.00 C ATOM 273 CD ARG A 16 0.016 12.344 4.969 1.00 0.00 C ATOM 274 NE ARG A 16 0.099 11.014 4.326 1.00 0.00 N ATOM 275 CZ ARG A 16 0.150 10.822 3.000 1.00 0.00 C ATOM 276 NH1 ARG A 16 0.126 11.873 2.170 1.00 0.00 N ATOM 277 NH2 ARG A 16 0.225 9.579 2.505 1.00 0.00 N ATOM 0 H ARG A 16 -1.026 14.544 8.309 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.515 13.038 7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.624 11.694 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.239 13.336 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.016 12.853 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.400 11.183 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.624 13.002 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.003 12.805 5.000 1.00 0.00 H new ATOM 0 HE ARG A 16 0.119 10.192 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.069 12.819 2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.165 11.727 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.243 8.779 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.264 9.433 1.496 1.00 0.00 H new ATOM 291 N ARG A 17 -1.963 10.853 8.664 1.00 0.00 N ATOM 292 CA ARG A 17 -1.427 9.869 9.588 1.00 0.00 C ATOM 293 C ARG A 17 -1.158 8.550 8.862 1.00 0.00 C ATOM 294 O ARG A 17 -2.052 7.994 8.226 1.00 0.00 O ATOM 295 CB ARG A 17 -2.394 9.617 10.747 1.00 0.00 C ATOM 296 CG ARG A 17 -1.674 9.717 12.093 1.00 0.00 C ATOM 297 CD ARG A 17 -2.587 10.327 13.159 1.00 0.00 C ATOM 298 NE ARG A 17 -3.069 9.271 14.077 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.702 9.512 15.233 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.933 10.774 15.620 1.00 0.00 N ATOM 301 NH2 ARG A 17 -4.103 8.491 16.003 1.00 0.00 N ATOM 0 H ARG A 17 -2.452 10.460 7.859 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.493 10.265 9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.207 10.342 10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.843 8.629 10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.350 8.726 12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.777 10.327 11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.046 11.089 13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.434 10.822 12.684 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.909 8.299 13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.627 11.551 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.415 10.957 16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.926 7.530 15.709 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.585 8.675 16.883 1.00 0.00 H new ATOM 315 N GLU A 18 0.078 8.087 8.980 1.00 0.00 N ATOM 316 CA GLU A 18 0.476 6.844 8.343 1.00 0.00 C ATOM 317 C GLU A 18 0.390 5.685 9.339 1.00 0.00 C ATOM 318 O GLU A 18 1.213 5.582 10.248 1.00 0.00 O ATOM 319 CB GLU A 18 1.883 6.956 7.752 1.00 0.00 C ATOM 320 CG GLU A 18 2.030 8.235 6.925 1.00 0.00 C ATOM 321 CD GLU A 18 1.879 7.941 5.430 1.00 0.00 C ATOM 322 OE1 GLU A 18 2.718 7.171 4.916 1.00 0.00 O ATOM 323 OE2 GLU A 18 0.928 8.494 4.836 1.00 0.00 O ATOM 0 H GLU A 18 0.817 8.551 9.508 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.212 6.643 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.620 6.951 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.088 6.088 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.278 8.961 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.005 8.685 7.114 1.00 0.00 H new ATOM 330 N LEU A 19 -0.612 4.844 9.134 1.00 0.00 N ATOM 331 CA LEU A 19 -0.816 3.697 10.002 1.00 0.00 C ATOM 332 C LEU A 19 -0.576 2.412 9.208 1.00 0.00 C ATOM 333 O LEU A 19 -1.021 2.290 8.068 1.00 0.00 O ATOM 334 CB LEU A 19 -2.194 3.763 10.663 1.00 0.00 C ATOM 335 CG LEU A 19 -2.635 5.142 11.158 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.839 5.651 10.363 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.908 5.123 12.663 1.00 0.00 C ATOM 0 H LEU A 19 -1.292 4.934 8.379 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.095 3.706 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.935 3.401 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.203 3.075 11.509 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.818 5.843 10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.132 6.633 10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.573 5.727 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.671 4.956 10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.220 6.115 12.989 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.699 4.405 12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.000 4.835 13.194 1.00 0.00 H new ATOM 349 N ASP A 20 0.128 1.485 9.841 1.00 0.00 N ATOM 350 CA ASP A 20 0.432 0.213 9.207 1.00 0.00 C ATOM 351 C ASP A 20 -0.238 -0.917 9.993 1.00 0.00 C ATOM 352 O ASP A 20 -0.214 -0.921 11.222 1.00 0.00 O ATOM 353 CB ASP A 20 1.939 -0.049 9.195 1.00 0.00 C ATOM 354 CG ASP A 20 2.786 1.073 8.592 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.173 2.041 8.093 1.00 0.00 O ATOM 356 OD2 ASP A 20 4.028 0.937 8.644 1.00 0.00 O ATOM 0 H ASP A 20 0.497 1.589 10.786 1.00 0.00 H new ATOM 0 HA ASP A 20 0.064 0.250 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.270 -0.224 10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.129 -0.966 8.638 1.00 0.00 H new ATOM 361 N PHE A 21 -0.820 -1.846 9.249 1.00 0.00 N ATOM 362 CA PHE A 21 -1.495 -2.978 9.861 1.00 0.00 C ATOM 363 C PHE A 21 -1.450 -4.203 8.945 1.00 0.00 C ATOM 364 O PHE A 21 -1.134 -4.087 7.762 1.00 0.00 O ATOM 365 CB PHE A 21 -2.954 -2.568 10.072 1.00 0.00 C ATOM 366 CG PHE A 21 -3.699 -2.231 8.779 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.597 -0.986 8.240 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.464 -3.175 8.169 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.289 -0.674 7.040 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.156 -2.862 6.970 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.054 -1.618 6.430 1.00 0.00 C ATOM 0 H PHE A 21 -0.838 -1.838 8.229 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.006 -3.240 10.799 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.478 -3.377 10.581 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.985 -1.702 10.733 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.990 -0.235 8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.545 -4.163 8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.208 0.314 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.764 -3.612 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.580 -1.380 5.517 1.00 0.00 H new ATOM 381 N ILE A 22 -1.771 -5.350 9.527 1.00 0.00 N ATOM 382 CA ILE A 22 -1.771 -6.595 8.778 1.00 0.00 C ATOM 383 C ILE A 22 -3.183 -7.183 8.776 1.00 0.00 C ATOM 384 O ILE A 22 -3.838 -7.240 9.816 1.00 0.00 O ATOM 385 CB ILE A 22 -0.708 -7.549 9.326 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.671 -6.887 9.334 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.705 -8.869 8.552 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.169 -6.638 7.909 1.00 0.00 C ATOM 0 H ILE A 22 -2.033 -5.443 10.508 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.499 -6.415 7.738 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.959 -7.782 10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.622 -5.942 9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.380 -7.522 9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.060 -9.529 8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.681 -9.345 8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.491 -8.674 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.151 -6.167 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.241 -7.587 7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.470 -5.983 7.389 1.00 0.00 H new ATOM 400 N VAL A 23 -3.612 -7.606 7.596 1.00 0.00 N ATOM 401 CA VAL A 23 -4.934 -8.188 7.444 1.00 0.00 C ATOM 402 C VAL A 23 -4.808 -9.709 7.338 1.00 0.00 C ATOM 403 O VAL A 23 -4.108 -10.218 6.463 1.00 0.00 O ATOM 404 CB VAL A 23 -5.647 -7.562 6.244 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.138 -7.905 6.252 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.434 -6.048 6.208 1.00 0.00 C ATOM 0 H VAL A 23 -3.067 -7.557 6.736 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.548 -7.973 8.318 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.211 -7.983 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.621 -7.448 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.263 -8.987 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.594 -7.525 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.951 -5.628 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.830 -5.603 7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.368 -5.832 6.132 1.00 0.00 H new ATOM 416 N LYS A 24 -5.497 -10.393 8.240 1.00 0.00 N ATOM 417 CA LYS A 24 -5.471 -11.846 8.258 1.00 0.00 C ATOM 418 C LYS A 24 -6.897 -12.379 8.109 1.00 0.00 C ATOM 419 O LYS A 24 -7.850 -11.748 8.563 1.00 0.00 O ATOM 420 CB LYS A 24 -4.753 -12.353 9.511 1.00 0.00 C ATOM 421 CG LYS A 24 -3.261 -12.560 9.241 1.00 0.00 C ATOM 422 CD LYS A 24 -2.488 -12.743 10.549 1.00 0.00 C ATOM 423 CE LYS A 24 -1.083 -13.289 10.283 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.982 -14.697 10.726 1.00 0.00 N ATOM 0 H LYS A 24 -6.077 -9.968 8.964 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.898 -12.227 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.884 -11.638 10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.201 -13.292 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.121 -13.435 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.864 -11.703 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.419 -11.789 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.030 -13.426 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.854 -13.219 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.345 -12.682 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.023 -15.052 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.179 -14.755 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.673 -15.275 10.206 1.00 0.00 H new ATOM 438 N TYR A 25 -6.998 -13.536 7.471 1.00 0.00 N ATOM 439 CA TYR A 25 -8.292 -14.161 7.256 1.00 0.00 C ATOM 440 C TYR A 25 -8.136 -15.649 6.939 1.00 0.00 C ATOM 441 O TYR A 25 -7.020 -16.136 6.760 1.00 0.00 O ATOM 442 CB TYR A 25 -8.906 -13.455 6.046 1.00 0.00 C ATOM 443 CG TYR A 25 -7.908 -13.166 4.922 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.101 -12.048 4.987 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.815 -14.022 3.844 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.162 -11.775 3.930 1.00 0.00 C ATOM 447 CE2 TYR A 25 -6.876 -13.750 2.787 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.096 -12.640 2.882 1.00 0.00 C ATOM 449 OH TYR A 25 -5.209 -12.382 1.884 1.00 0.00 O ATOM 0 H TYR A 25 -6.205 -14.057 7.096 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.912 -14.076 8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.715 -14.070 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.351 -12.515 6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.174 -11.378 5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.447 -14.896 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.525 -10.904 3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.793 -14.412 1.938 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.026 -11.420 1.850 1.00 0.00 H new ATOM 459 N GLU A 26 -9.270 -16.331 6.878 1.00 0.00 N ATOM 460 CA GLU A 26 -9.273 -17.754 6.585 1.00 0.00 C ATOM 461 C GLU A 26 -10.247 -18.060 5.445 1.00 0.00 C ATOM 462 O GLU A 26 -11.234 -18.768 5.639 1.00 0.00 O ATOM 463 CB GLU A 26 -9.618 -18.570 7.833 1.00 0.00 C ATOM 464 CG GLU A 26 -8.352 -19.117 8.497 1.00 0.00 C ATOM 465 CD GLU A 26 -8.512 -19.175 10.017 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.373 -18.103 10.644 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.771 -20.291 10.518 1.00 0.00 O ATOM 0 H GLU A 26 -10.194 -15.924 7.027 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.271 -18.041 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.164 -17.946 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.277 -19.395 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.137 -20.114 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.501 -18.486 8.241 1.00 0.00 H new ATOM 474 N GLY A 27 -9.934 -17.510 4.280 1.00 0.00 N ATOM 475 CA GLY A 27 -10.769 -17.715 3.108 1.00 0.00 C ATOM 476 C GLY A 27 -10.591 -16.576 2.102 1.00 0.00 C ATOM 477 O GLY A 27 -9.479 -16.090 1.900 1.00 0.00 O ATOM 0 H GLY A 27 -9.115 -16.923 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.514 -18.664 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.815 -17.779 3.409 1.00 0.00 H new ATOM 481 N SER A 28 -11.703 -16.183 1.499 1.00 0.00 N ATOM 482 CA SER A 28 -11.683 -15.110 0.519 1.00 0.00 C ATOM 483 C SER A 28 -10.911 -13.910 1.072 1.00 0.00 C ATOM 484 O SER A 28 -10.721 -13.793 2.281 1.00 0.00 O ATOM 485 CB SER A 28 -13.103 -14.693 0.130 1.00 0.00 C ATOM 486 OG SER A 28 -13.654 -15.545 -0.871 1.00 0.00 O ATOM 0 H SER A 28 -12.623 -16.588 1.670 1.00 0.00 H new ATOM 0 HA SER A 28 -11.182 -15.475 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.741 -14.712 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.092 -13.666 -0.234 1.00 0.00 H new ATOM 0 HG SER A 28 -14.561 -15.247 -1.091 1.00 0.00 H new ATOM 492 N THR A 29 -10.485 -13.050 0.159 1.00 0.00 N ATOM 493 CA THR A 29 -9.738 -11.863 0.540 1.00 0.00 C ATOM 494 C THR A 29 -10.693 -10.716 0.876 1.00 0.00 C ATOM 495 O THR A 29 -11.750 -10.584 0.262 1.00 0.00 O ATOM 496 CB THR A 29 -8.766 -11.532 -0.595 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.688 -12.444 -0.406 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.122 -10.154 -0.431 1.00 0.00 C ATOM 0 H THR A 29 -10.643 -13.151 -0.844 1.00 0.00 H new ATOM 0 HA THR A 29 -9.157 -12.035 1.446 1.00 0.00 H new ATOM 0 HB THR A 29 -9.293 -11.575 -1.548 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.335 -12.349 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.442 -9.969 -1.262 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.898 -9.389 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.567 -10.121 0.506 1.00 0.00 H new ATOM 506 N PRO A 30 -10.274 -9.895 1.876 1.00 0.00 N ATOM 507 CA PRO A 30 -11.080 -8.763 2.301 1.00 0.00 C ATOM 508 C PRO A 30 -11.004 -7.622 1.285 1.00 0.00 C ATOM 509 O PRO A 30 -10.063 -7.551 0.496 1.00 0.00 O ATOM 510 CB PRO A 30 -10.532 -8.381 3.666 1.00 0.00 C ATOM 511 CG PRO A 30 -9.149 -9.006 3.750 1.00 0.00 C ATOM 512 CD PRO A 30 -9.028 -10.021 2.625 1.00 0.00 C ATOM 0 HA PRO A 30 -12.141 -9.003 2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.478 -7.298 3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.177 -8.751 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.378 -8.241 3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.006 -9.489 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.164 -9.812 1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.901 -11.031 3.015 1.00 0.00 H new ATOM 520 N SER A 31 -12.006 -6.758 1.337 1.00 0.00 N ATOM 521 CA SER A 31 -12.064 -5.623 0.430 1.00 0.00 C ATOM 522 C SER A 31 -11.546 -4.366 1.132 1.00 0.00 C ATOM 523 O SER A 31 -11.669 -4.234 2.348 1.00 0.00 O ATOM 524 CB SER A 31 -13.489 -5.398 -0.079 1.00 0.00 C ATOM 525 OG SER A 31 -13.962 -6.501 -0.847 1.00 0.00 O ATOM 0 H SER A 31 -12.785 -6.820 1.993 1.00 0.00 H new ATOM 0 HA SER A 31 -11.430 -5.839 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.155 -5.234 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.518 -4.494 -0.687 1.00 0.00 H new ATOM 0 HG SER A 31 -14.875 -6.319 -1.152 1.00 0.00 H new ATOM 531 N ARG A 32 -10.977 -3.474 0.334 1.00 0.00 N ATOM 532 CA ARG A 32 -10.439 -2.232 0.863 1.00 0.00 C ATOM 533 C ARG A 32 -11.467 -1.553 1.771 1.00 0.00 C ATOM 534 O ARG A 32 -11.119 -1.045 2.836 1.00 0.00 O ATOM 535 CB ARG A 32 -10.055 -1.273 -0.266 1.00 0.00 C ATOM 536 CG ARG A 32 -8.678 -1.621 -0.835 1.00 0.00 C ATOM 537 CD ARG A 32 -8.793 -2.143 -2.268 1.00 0.00 C ATOM 538 NE ARG A 32 -7.444 -2.343 -2.844 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.214 -2.869 -4.055 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.242 -3.250 -4.826 1.00 0.00 N ATOM 541 NH2 ARG A 32 -5.957 -3.013 -4.495 1.00 0.00 N ATOM 0 H ARG A 32 -10.877 -3.587 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.545 -2.476 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.802 -1.320 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.050 -0.249 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.039 -0.738 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.201 -2.374 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.345 -3.083 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.356 -1.436 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.639 -2.063 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.199 -3.140 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.067 -3.650 -5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.175 -2.722 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.782 -3.413 -5.417 1.00 0.00 H new ATOM 555 N ASN A 33 -12.712 -1.568 1.317 1.00 0.00 N ATOM 556 CA ASN A 33 -13.792 -0.960 2.076 1.00 0.00 C ATOM 557 C ASN A 33 -13.960 -1.705 3.402 1.00 0.00 C ATOM 558 O ASN A 33 -14.132 -1.083 4.449 1.00 0.00 O ATOM 559 CB ASN A 33 -15.116 -1.046 1.314 1.00 0.00 C ATOM 560 CG ASN A 33 -14.989 -0.422 -0.077 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.161 0.771 -0.269 1.00 0.00 O ATOM 562 ND2 ASN A 33 -14.681 -1.292 -1.034 1.00 0.00 N ATOM 0 H ASN A 33 -12.997 -1.991 0.434 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.539 0.087 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.420 -2.089 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.897 -0.534 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.575 -0.974 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.551 -2.277 -0.805 1.00 0.00 H new ATOM 569 N ASP A 34 -13.904 -3.026 3.313 1.00 0.00 N ATOM 570 CA ASP A 34 -14.048 -3.861 4.493 1.00 0.00 C ATOM 571 C ASP A 34 -12.918 -3.548 5.476 1.00 0.00 C ATOM 572 O ASP A 34 -13.159 -3.379 6.670 1.00 0.00 O ATOM 573 CB ASP A 34 -13.962 -5.345 4.130 1.00 0.00 C ATOM 574 CG ASP A 34 -15.304 -6.019 3.838 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.078 -6.185 4.805 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.526 -6.352 2.654 1.00 0.00 O ATOM 0 H ASP A 34 -13.761 -3.538 2.443 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.022 -3.653 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.321 -5.453 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.476 -5.876 4.949 1.00 0.00 H new ATOM 581 N VAL A 35 -11.710 -3.481 4.937 1.00 0.00 N ATOM 582 CA VAL A 35 -10.542 -3.191 5.751 1.00 0.00 C ATOM 583 C VAL A 35 -10.605 -1.738 6.227 1.00 0.00 C ATOM 584 O VAL A 35 -10.221 -1.433 7.354 1.00 0.00 O ATOM 585 CB VAL A 35 -9.266 -3.509 4.968 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.026 -3.026 5.723 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.172 -5.004 4.658 1.00 0.00 C ATOM 0 H VAL A 35 -11.515 -3.623 3.946 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.529 -3.823 6.639 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.311 -2.973 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.133 -3.264 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.087 -1.948 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.974 -3.522 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.256 -5.203 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.160 -5.569 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.033 -5.307 4.061 1.00 0.00 H new ATOM 597 N ARG A 36 -11.093 -0.880 5.342 1.00 0.00 N ATOM 598 CA ARG A 36 -11.211 0.533 5.658 1.00 0.00 C ATOM 599 C ARG A 36 -12.186 0.738 6.820 1.00 0.00 C ATOM 600 O ARG A 36 -11.848 1.382 7.812 1.00 0.00 O ATOM 601 CB ARG A 36 -11.699 1.329 4.446 1.00 0.00 C ATOM 602 CG ARG A 36 -10.520 1.870 3.634 1.00 0.00 C ATOM 603 CD ARG A 36 -10.874 3.205 2.976 1.00 0.00 C ATOM 604 NE ARG A 36 -10.198 3.318 1.664 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.624 2.716 0.545 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.726 1.956 0.572 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.946 2.875 -0.600 1.00 0.00 N ATOM 0 H ARG A 36 -11.411 -1.136 4.407 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.222 0.893 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.319 0.693 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.326 2.156 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.655 1.999 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.238 1.147 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.954 3.281 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.572 4.030 3.622 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.355 3.890 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.241 1.835 1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.050 1.498 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.106 3.454 -0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.270 2.417 -1.452 1.00 0.00 H new ATOM 621 N ASN A 37 -13.376 0.179 6.658 1.00 0.00 N ATOM 622 CA ASN A 37 -14.401 0.292 7.681 1.00 0.00 C ATOM 623 C ASN A 37 -13.878 -0.304 8.989 1.00 0.00 C ATOM 624 O ASN A 37 -14.122 0.241 10.065 1.00 0.00 O ATOM 625 CB ASN A 37 -15.663 -0.476 7.282 1.00 0.00 C ATOM 626 CG ASN A 37 -16.730 0.471 6.728 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.111 1.450 7.349 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.188 0.127 5.528 1.00 0.00 N ATOM 0 H ASN A 37 -13.653 -0.354 5.833 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.644 1.348 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.414 -1.227 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.058 -1.008 8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.902 0.696 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.826 -0.706 5.063 1.00 0.00 H new ATOM 635 N LYS A 38 -13.169 -1.414 8.854 1.00 0.00 N ATOM 636 CA LYS A 38 -12.609 -2.090 10.013 1.00 0.00 C ATOM 637 C LYS A 38 -11.679 -1.131 10.757 1.00 0.00 C ATOM 638 O LYS A 38 -11.818 -0.936 11.964 1.00 0.00 O ATOM 639 CB LYS A 38 -11.937 -3.400 9.596 1.00 0.00 C ATOM 640 CG LYS A 38 -11.739 -4.322 10.801 1.00 0.00 C ATOM 641 CD LYS A 38 -12.382 -5.689 10.557 1.00 0.00 C ATOM 642 CE LYS A 38 -12.693 -6.392 11.880 1.00 0.00 C ATOM 643 NZ LYS A 38 -11.467 -6.524 12.697 1.00 0.00 N ATOM 0 H LYS A 38 -12.969 -1.863 7.960 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.399 -2.372 10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.547 -3.903 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.973 -3.187 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.674 -4.447 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.175 -3.864 11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.300 -5.566 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.713 -6.309 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.445 -5.827 12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.115 -7.378 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.636 -7.200 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.688 -6.868 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.215 -5.598 13.097 1.00 0.00 H new ATOM 657 N LEU A 39 -10.750 -0.557 10.007 1.00 0.00 N ATOM 658 CA LEU A 39 -9.796 0.378 10.581 1.00 0.00 C ATOM 659 C LEU A 39 -10.548 1.586 11.143 1.00 0.00 C ATOM 660 O LEU A 39 -10.355 1.958 12.300 1.00 0.00 O ATOM 661 CB LEU A 39 -8.722 0.745 9.555 1.00 0.00 C ATOM 662 CG LEU A 39 -7.272 0.567 10.009 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.732 -0.802 9.592 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.393 1.710 9.498 1.00 0.00 C ATOM 0 H LEU A 39 -10.637 -0.721 9.007 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.264 -0.083 11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.879 0.140 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.866 1.786 9.264 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.248 0.605 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.700 -0.903 9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.339 -1.586 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.772 -0.894 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.367 1.559 9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.418 1.729 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.766 2.658 9.886 1.00 0.00 H new ATOM 676 N ALA A 40 -11.389 2.165 10.299 1.00 0.00 N ATOM 677 CA ALA A 40 -12.171 3.323 10.698 1.00 0.00 C ATOM 678 C ALA A 40 -12.840 3.042 12.044 1.00 0.00 C ATOM 679 O ALA A 40 -12.970 3.939 12.876 1.00 0.00 O ATOM 680 CB ALA A 40 -13.184 3.657 9.601 1.00 0.00 C ATOM 0 H ALA A 40 -11.546 1.854 9.340 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.529 4.195 10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.771 4.526 9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.656 3.878 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.848 2.806 9.447 1.00 0.00 H new ATOM 686 N ALA A 41 -13.248 1.793 12.217 1.00 0.00 N ATOM 687 CA ALA A 41 -13.901 1.383 13.449 1.00 0.00 C ATOM 688 C ALA A 41 -12.855 1.258 14.559 1.00 0.00 C ATOM 689 O ALA A 41 -13.107 1.641 15.700 1.00 0.00 O ATOM 690 CB ALA A 41 -14.660 0.076 13.214 1.00 0.00 C ATOM 0 H ALA A 41 -13.139 1.052 11.525 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.629 2.131 13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.150 -0.232 14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.411 0.226 12.438 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.961 -0.699 12.898 1.00 0.00 H new ATOM 696 N MET A 42 -11.703 0.721 14.184 1.00 0.00 N ATOM 697 CA MET A 42 -10.618 0.541 15.134 1.00 0.00 C ATOM 698 C MET A 42 -10.074 1.890 15.607 1.00 0.00 C ATOM 699 O MET A 42 -9.885 2.102 16.804 1.00 0.00 O ATOM 700 CB MET A 42 -9.493 -0.261 14.477 1.00 0.00 C ATOM 701 CG MET A 42 -9.808 -1.758 14.488 1.00 0.00 C ATOM 702 SD MET A 42 -8.868 -2.590 13.219 1.00 0.00 S ATOM 703 CE MET A 42 -7.437 -3.083 14.165 1.00 0.00 C ATOM 0 H MET A 42 -11.497 0.405 13.236 1.00 0.00 H new ATOM 0 HA MET A 42 -11.003 0.002 16.000 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.352 0.077 13.450 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.556 -0.079 15.004 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.570 -2.181 15.464 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.874 -1.915 14.324 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.532 -2.754 13.654 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.481 -2.628 15.155 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.423 -4.168 14.265 1.00 0.00 H new ATOM 713 N LEU A 43 -9.838 2.768 14.644 1.00 0.00 N ATOM 714 CA LEU A 43 -9.320 4.091 14.947 1.00 0.00 C ATOM 715 C LEU A 43 -10.488 5.056 15.158 1.00 0.00 C ATOM 716 O LEU A 43 -10.284 6.259 15.312 1.00 0.00 O ATOM 717 CB LEU A 43 -8.337 4.543 13.865 1.00 0.00 C ATOM 718 CG LEU A 43 -7.708 3.430 13.023 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.538 3.965 12.194 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.296 2.246 13.900 1.00 0.00 C ATOM 0 H LEU A 43 -9.996 2.589 13.652 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.750 4.072 15.876 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.855 5.230 13.195 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.536 5.107 14.343 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.459 3.065 12.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.109 3.154 11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.894 4.750 11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.777 4.372 12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.852 1.469 13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.568 2.578 14.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.174 1.846 14.408 1.00 0.00 H new ATOM 732 N ASN A 44 -11.687 4.492 15.158 1.00 0.00 N ATOM 733 CA ASN A 44 -12.888 5.287 15.348 1.00 0.00 C ATOM 734 C ASN A 44 -12.772 6.579 14.537 1.00 0.00 C ATOM 735 O ASN A 44 -13.198 7.641 14.990 1.00 0.00 O ATOM 736 CB ASN A 44 -13.071 5.666 16.818 1.00 0.00 C ATOM 737 CG ASN A 44 -11.738 6.070 17.451 1.00 0.00 C ATOM 738 OD1 ASN A 44 -11.373 7.234 17.502 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.033 5.048 17.927 1.00 0.00 N ATOM 0 H ASN A 44 -11.852 3.494 15.029 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.741 4.693 15.021 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -13.780 6.490 16.899 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.496 4.824 17.364 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.128 5.214 18.367 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.397 4.098 17.852 1.00 0.00 H new ATOM 746 N ALA A 45 -12.193 6.447 13.353 1.00 0.00 N ATOM 747 CA ALA A 45 -12.016 7.591 12.475 1.00 0.00 C ATOM 748 C ALA A 45 -12.964 7.464 11.281 1.00 0.00 C ATOM 749 O ALA A 45 -13.482 6.383 11.007 1.00 0.00 O ATOM 750 CB ALA A 45 -10.550 7.685 12.048 1.00 0.00 C ATOM 0 H ALA A 45 -11.840 5.565 12.981 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.264 8.516 12.996 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.417 8.543 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.921 7.804 12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.266 6.775 11.520 1.00 0.00 H new ATOM 756 N PRO A 46 -13.168 8.614 10.583 1.00 0.00 N ATOM 757 CA PRO A 46 -14.044 8.642 9.425 1.00 0.00 C ATOM 758 C PRO A 46 -13.375 7.986 8.215 1.00 0.00 C ATOM 759 O PRO A 46 -12.207 8.246 7.931 1.00 0.00 O ATOM 760 CB PRO A 46 -14.359 10.112 9.205 1.00 0.00 C ATOM 761 CG PRO A 46 -13.285 10.885 9.953 1.00 0.00 C ATOM 762 CD PRO A 46 -12.571 9.914 10.879 1.00 0.00 C ATOM 0 HA PRO A 46 -14.960 8.071 9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.350 10.359 8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.352 10.359 9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.580 11.333 9.253 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.729 11.700 10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.497 9.908 10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.713 10.186 11.925 1.00 0.00 H new ATOM 770 N LEU A 47 -14.145 7.150 7.535 1.00 0.00 N ATOM 771 CA LEU A 47 -13.641 6.455 6.362 1.00 0.00 C ATOM 772 C LEU A 47 -13.192 7.482 5.320 1.00 0.00 C ATOM 773 O LEU A 47 -12.091 7.383 4.780 1.00 0.00 O ATOM 774 CB LEU A 47 -14.681 5.463 5.839 1.00 0.00 C ATOM 775 CG LEU A 47 -14.129 4.201 5.172 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.073 3.037 6.163 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.932 3.849 3.918 1.00 0.00 C ATOM 0 H LEU A 47 -15.114 6.938 7.773 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.766 5.858 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.317 5.161 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.318 5.980 5.122 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.106 4.401 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.677 2.153 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.426 3.302 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.076 2.826 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.520 2.949 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.973 3.674 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.876 4.673 3.207 1.00 0.00 H new ATOM 789 N GLU A 48 -14.067 8.444 5.069 1.00 0.00 N ATOM 790 CA GLU A 48 -13.775 9.488 4.102 1.00 0.00 C ATOM 791 C GLU A 48 -12.361 10.032 4.319 1.00 0.00 C ATOM 792 O GLU A 48 -11.606 10.205 3.364 1.00 0.00 O ATOM 793 CB GLU A 48 -14.812 10.611 4.176 1.00 0.00 C ATOM 794 CG GLU A 48 -14.953 11.133 5.607 1.00 0.00 C ATOM 795 CD GLU A 48 -16.137 12.094 5.726 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.359 12.844 4.751 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.794 12.057 6.789 1.00 0.00 O ATOM 0 H GLU A 48 -14.979 8.523 5.519 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.828 9.055 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.518 11.426 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.776 10.245 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.089 10.296 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.036 11.642 5.904 1.00 0.00 H new ATOM 804 N LEU A 49 -12.047 10.286 5.580 1.00 0.00 N ATOM 805 CA LEU A 49 -10.737 10.807 5.935 1.00 0.00 C ATOM 806 C LEU A 49 -9.704 9.682 5.845 1.00 0.00 C ATOM 807 O LEU A 49 -8.518 9.938 5.644 1.00 0.00 O ATOM 808 CB LEU A 49 -10.785 11.491 7.303 1.00 0.00 C ATOM 809 CG LEU A 49 -11.702 12.711 7.411 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.519 13.416 8.756 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.490 13.662 6.232 1.00 0.00 C ATOM 0 H LEU A 49 -12.677 10.141 6.369 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.430 11.579 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.102 10.756 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.773 11.797 7.570 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.735 12.367 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.182 14.280 8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.759 12.725 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.485 13.746 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.154 14.521 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.455 14.003 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.710 13.141 5.300 1.00 0.00 H new ATOM 823 N LEU A 50 -10.193 8.460 6.000 1.00 0.00 N ATOM 824 CA LEU A 50 -9.327 7.295 5.939 1.00 0.00 C ATOM 825 C LEU A 50 -9.099 6.910 4.475 1.00 0.00 C ATOM 826 O LEU A 50 -10.030 6.929 3.672 1.00 0.00 O ATOM 827 CB LEU A 50 -9.896 6.159 6.791 1.00 0.00 C ATOM 828 CG LEU A 50 -8.869 5.241 7.458 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.520 5.737 8.862 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.355 3.790 7.466 1.00 0.00 C ATOM 0 H LEU A 50 -11.177 8.252 6.168 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.350 7.524 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.524 6.594 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.544 5.549 6.162 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.952 5.270 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.788 5.067 9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.102 6.742 8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.421 5.757 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.607 3.158 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.293 3.724 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.511 3.453 6.441 1.00 0.00 H new ATOM 842 N VAL A 51 -7.854 6.571 4.173 1.00 0.00 N ATOM 843 CA VAL A 51 -7.492 6.182 2.821 1.00 0.00 C ATOM 844 C VAL A 51 -6.532 4.992 2.877 1.00 0.00 C ATOM 845 O VAL A 51 -5.854 4.783 3.881 1.00 0.00 O ATOM 846 CB VAL A 51 -6.913 7.383 2.069 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.109 7.230 0.559 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.524 8.692 2.572 1.00 0.00 C ATOM 0 H VAL A 51 -7.084 6.558 4.842 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.374 5.862 2.266 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.842 7.417 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.689 8.096 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.604 6.327 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.173 7.158 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.095 9.529 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.603 8.672 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.310 8.809 3.634 1.00 0.00 H new ATOM 858 N ILE A 52 -6.505 4.243 1.784 1.00 0.00 N ATOM 859 CA ILE A 52 -5.640 3.079 1.696 1.00 0.00 C ATOM 860 C ILE A 52 -4.612 3.296 0.583 1.00 0.00 C ATOM 861 O ILE A 52 -4.978 3.544 -0.565 1.00 0.00 O ATOM 862 CB ILE A 52 -6.470 1.805 1.527 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.620 1.762 2.535 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.586 0.559 1.611 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.109 1.410 3.934 1.00 0.00 C ATOM 0 H ILE A 52 -7.068 4.420 0.952 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.083 2.947 2.624 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.915 1.817 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.123 2.729 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.359 1.026 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.201 -0.332 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.834 0.593 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.093 0.528 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.946 1.386 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.628 0.432 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.388 2.161 4.258 1.00 0.00 H new ATOM 877 N GLN A 53 -3.347 3.195 0.962 1.00 0.00 N ATOM 878 CA GLN A 53 -2.264 3.377 0.010 1.00 0.00 C ATOM 879 C GLN A 53 -2.288 2.265 -1.040 1.00 0.00 C ATOM 880 O GLN A 53 -2.413 2.535 -2.233 1.00 0.00 O ATOM 881 CB GLN A 53 -0.911 3.430 0.722 1.00 0.00 C ATOM 882 CG GLN A 53 0.228 3.639 -0.278 1.00 0.00 C ATOM 883 CD GLN A 53 1.491 4.137 0.426 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.767 5.324 0.495 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.241 3.168 0.943 1.00 0.00 N ATOM 0 H GLN A 53 -3.047 2.990 1.915 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.408 4.331 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.912 4.240 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.750 2.504 1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.440 2.703 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.077 4.359 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.952 2.194 0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.105 3.399 1.433 1.00 0.00 H new ATOM 894 N ARG A 54 -2.166 1.037 -0.558 1.00 0.00 N ATOM 895 CA ARG A 54 -2.172 -0.118 -1.440 1.00 0.00 C ATOM 896 C ARG A 54 -2.002 -1.405 -0.631 1.00 0.00 C ATOM 897 O ARG A 54 -1.070 -1.525 0.163 1.00 0.00 O ATOM 898 CB ARG A 54 -1.051 -0.024 -2.477 1.00 0.00 C ATOM 899 CG ARG A 54 -1.578 -0.322 -3.883 1.00 0.00 C ATOM 900 CD ARG A 54 -0.981 0.644 -4.908 1.00 0.00 C ATOM 901 NE ARG A 54 -0.249 -0.113 -5.949 1.00 0.00 N ATOM 902 CZ ARG A 54 0.069 0.382 -7.153 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.278 1.636 -7.475 1.00 0.00 N ATOM 904 NH2 ARG A 54 0.733 -0.377 -8.035 1.00 0.00 N ATOM 0 H ARG A 54 -2.062 0.816 0.432 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.131 -0.135 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.611 0.973 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.258 -0.728 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.332 -1.348 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.665 -0.242 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.773 1.236 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.307 1.342 -4.412 1.00 0.00 H new ATOM 0 HE ARG A 54 0.031 -1.071 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.784 2.213 -6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.036 2.013 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.996 -1.331 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.975 -0.000 -8.951 1.00 0.00 H new ATOM 918 N ILE A 55 -2.918 -2.335 -0.860 1.00 0.00 N ATOM 919 CA ILE A 55 -2.881 -3.609 -0.162 1.00 0.00 C ATOM 920 C ILE A 55 -2.056 -4.608 -0.976 1.00 0.00 C ATOM 921 O ILE A 55 -2.130 -4.625 -2.204 1.00 0.00 O ATOM 922 CB ILE A 55 -4.300 -4.091 0.147 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.872 -3.364 1.366 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.337 -5.611 0.317 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.291 -3.847 1.675 1.00 0.00 C ATOM 0 H ILE A 55 -3.690 -2.232 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.388 -3.500 0.804 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.937 -3.846 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.230 -3.534 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.881 -2.290 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.357 -5.928 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.998 -6.088 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.683 -5.901 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.675 -3.315 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.936 -3.653 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.274 -4.917 1.882 1.00 0.00 H new ATOM 937 N LYS A 56 -1.289 -5.416 -0.259 1.00 0.00 N ATOM 938 CA LYS A 56 -0.451 -6.415 -0.899 1.00 0.00 C ATOM 939 C LYS A 56 -0.768 -7.793 -0.313 1.00 0.00 C ATOM 940 O LYS A 56 -0.533 -8.037 0.869 1.00 0.00 O ATOM 941 CB LYS A 56 1.025 -6.026 -0.791 1.00 0.00 C ATOM 942 CG LYS A 56 1.805 -6.484 -2.025 1.00 0.00 C ATOM 943 CD LYS A 56 2.028 -5.321 -2.995 1.00 0.00 C ATOM 944 CE LYS A 56 2.863 -5.763 -4.198 1.00 0.00 C ATOM 945 NZ LYS A 56 2.137 -5.496 -5.459 1.00 0.00 N ATOM 0 H LYS A 56 -1.230 -5.399 0.759 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.667 -6.465 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.113 -4.945 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.458 -6.473 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.766 -6.897 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.260 -7.283 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.066 -4.938 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.532 -4.504 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.816 -5.234 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.089 -6.826 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.718 -5.802 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.239 -6.021 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.943 -4.477 -5.539 1.00 0.00 H new ATOM 959 N THR A 57 -1.298 -8.656 -1.167 1.00 0.00 N ATOM 960 CA THR A 57 -1.650 -10.002 -0.748 1.00 0.00 C ATOM 961 C THR A 57 -0.497 -10.968 -1.032 1.00 0.00 C ATOM 962 O THR A 57 0.135 -10.893 -2.084 1.00 0.00 O ATOM 963 CB THR A 57 -2.954 -10.390 -1.450 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.823 -9.288 -1.201 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.651 -11.574 -0.777 1.00 0.00 C ATOM 0 H THR A 57 -1.492 -8.450 -2.147 1.00 0.00 H new ATOM 0 HA THR A 57 -1.816 -10.050 0.328 1.00 0.00 H new ATOM 0 HB THR A 57 -2.747 -10.635 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.194 -9.362 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.570 -11.808 -1.314 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.991 -12.441 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.889 -11.317 0.255 1.00 0.00 H new ATOM 973 N GLU A 58 -0.260 -11.852 -0.074 1.00 0.00 N ATOM 974 CA GLU A 58 0.806 -12.831 -0.207 1.00 0.00 C ATOM 975 C GLU A 58 0.325 -14.030 -1.027 1.00 0.00 C ATOM 976 O GLU A 58 -0.792 -14.027 -1.542 1.00 0.00 O ATOM 977 CB GLU A 58 1.318 -13.274 1.164 1.00 0.00 C ATOM 978 CG GLU A 58 2.544 -12.461 1.581 1.00 0.00 C ATOM 979 CD GLU A 58 3.727 -12.736 0.651 1.00 0.00 C ATOM 980 OE1 GLU A 58 4.016 -13.934 0.440 1.00 0.00 O ATOM 981 OE2 GLU A 58 4.316 -11.743 0.171 1.00 0.00 O ATOM 0 H GLU A 58 -0.787 -11.911 0.797 1.00 0.00 H new ATOM 0 HA GLU A 58 1.638 -12.365 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.529 -13.155 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.572 -14.334 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.303 -11.398 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.818 -12.709 2.606 1.00 0.00 H new ATOM 988 N TYR A 59 1.193 -15.026 -1.124 1.00 0.00 N ATOM 989 CA TYR A 59 0.872 -16.229 -1.872 1.00 0.00 C ATOM 990 C TYR A 59 0.581 -17.400 -0.931 1.00 0.00 C ATOM 991 O TYR A 59 1.485 -17.910 -0.271 1.00 0.00 O ATOM 992 CB TYR A 59 2.115 -16.555 -2.703 1.00 0.00 C ATOM 993 CG TYR A 59 2.156 -15.854 -4.062 1.00 0.00 C ATOM 994 CD1 TYR A 59 2.503 -14.521 -4.142 1.00 0.00 C ATOM 995 CD2 TYR A 59 1.846 -16.556 -5.209 1.00 0.00 C ATOM 996 CE1 TYR A 59 2.542 -13.862 -5.422 1.00 0.00 C ATOM 997 CE2 TYR A 59 1.884 -15.898 -6.489 1.00 0.00 C ATOM 998 CZ TYR A 59 2.230 -14.583 -6.532 1.00 0.00 C ATOM 999 OH TYR A 59 2.267 -13.961 -7.741 1.00 0.00 O ATOM 0 H TYR A 59 2.119 -15.024 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.013 -16.071 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.003 -16.276 -2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.162 -17.633 -2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.745 -13.972 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.575 -17.600 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.813 -12.819 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.643 -16.436 -7.394 1.00 0.00 H new ATOM 0 HH TYR A 59 2.022 -14.598 -8.444 1.00 0.00 H new ATOM 1009 N GLY A 60 -0.684 -17.791 -0.898 1.00 0.00 N ATOM 1010 CA GLY A 60 -1.105 -18.892 -0.048 1.00 0.00 C ATOM 1011 C GLY A 60 -0.690 -18.653 1.405 1.00 0.00 C ATOM 1012 O GLY A 60 -0.235 -19.573 2.083 1.00 0.00 O ATOM 0 H GLY A 60 -1.431 -17.365 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.187 -19.008 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.665 -19.822 -0.407 1.00 0.00 H new ATOM 1016 N MET A 61 -0.860 -17.413 1.839 1.00 0.00 N ATOM 1017 CA MET A 61 -0.509 -17.042 3.199 1.00 0.00 C ATOM 1018 C MET A 61 -1.698 -16.401 3.918 1.00 0.00 C ATOM 1019 O MET A 61 -1.583 -15.990 5.071 1.00 0.00 O ATOM 1020 CB MET A 61 0.663 -16.057 3.173 1.00 0.00 C ATOM 1021 CG MET A 61 1.901 -16.696 2.542 1.00 0.00 C ATOM 1022 SD MET A 61 3.278 -16.607 3.675 1.00 0.00 S ATOM 1023 CE MET A 61 3.400 -14.838 3.876 1.00 0.00 C ATOM 0 H MET A 61 -1.236 -16.652 1.273 1.00 0.00 H new ATOM 0 HA MET A 61 -0.226 -17.945 3.740 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.382 -15.167 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.894 -15.733 4.188 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.695 -17.736 2.288 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.151 -16.185 1.612 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.769 -14.610 4.876 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.089 -14.434 3.134 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.417 -14.388 3.741 1.00 0.00 H new ATOM 1033 N GLN A 62 -2.814 -16.337 3.206 1.00 0.00 N ATOM 1034 CA GLN A 62 -4.023 -15.754 3.761 1.00 0.00 C ATOM 1035 C GLN A 62 -3.677 -14.552 4.643 1.00 0.00 C ATOM 1036 O GLN A 62 -4.059 -14.504 5.811 1.00 0.00 O ATOM 1037 CB GLN A 62 -4.824 -16.796 4.544 1.00 0.00 C ATOM 1038 CG GLN A 62 -5.172 -17.997 3.663 1.00 0.00 C ATOM 1039 CD GLN A 62 -5.593 -17.545 2.262 1.00 0.00 C ATOM 1040 OE1 GLN A 62 -4.935 -17.817 1.271 1.00 0.00 O ATOM 1041 NE2 GLN A 62 -6.721 -16.842 2.237 1.00 0.00 N ATOM 0 H GLN A 62 -2.906 -16.679 2.250 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.647 -15.407 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.248 -17.129 5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.739 -16.344 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.311 -18.662 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.979 -18.568 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.222 -16.651 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.086 -16.494 1.350 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.956 -13.612 4.049 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.554 -12.413 4.766 1.00 0.00 C ATOM 1052 C GLU A 63 -2.349 -11.254 3.789 1.00 0.00 C ATOM 1053 O GLU A 63 -1.588 -11.374 2.829 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.290 -12.666 5.590 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.825 -11.385 6.286 1.00 0.00 C ATOM 1056 CD GLU A 63 0.252 -10.674 5.464 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.405 -11.155 5.503 1.00 0.00 O ATOM 1058 OE2 GLU A 63 -0.103 -9.667 4.815 1.00 0.00 O ATOM 0 H GLU A 63 -2.640 -13.656 3.080 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.351 -12.142 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.485 -13.438 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.498 -13.040 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.674 -10.718 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.433 -11.626 7.274 1.00 0.00 H new ATOM 1065 N SER A 64 -3.040 -10.159 4.066 1.00 0.00 N ATOM 1066 CA SER A 64 -2.944 -8.979 3.224 1.00 0.00 C ATOM 1067 C SER A 64 -2.514 -7.772 4.060 1.00 0.00 C ATOM 1068 O SER A 64 -3.082 -7.513 5.120 1.00 0.00 O ATOM 1069 CB SER A 64 -4.273 -8.692 2.522 1.00 0.00 C ATOM 1070 OG SER A 64 -4.796 -9.850 1.876 1.00 0.00 O ATOM 0 H SER A 64 -3.670 -10.064 4.863 1.00 0.00 H new ATOM 0 HA SER A 64 -2.193 -9.168 2.457 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.996 -8.325 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.131 -7.900 1.787 1.00 0.00 H new ATOM 0 HG SER A 64 -5.645 -9.626 1.441 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.515 -7.066 3.552 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.003 -5.892 4.239 1.00 0.00 C ATOM 1078 C LYS A 65 -1.178 -4.665 3.344 1.00 0.00 C ATOM 1079 O LYS A 65 -1.004 -4.748 2.129 1.00 0.00 O ATOM 1080 CB LYS A 65 0.441 -6.123 4.690 1.00 0.00 C ATOM 1081 CG LYS A 65 1.431 -5.586 3.655 1.00 0.00 C ATOM 1082 CD LYS A 65 2.875 -5.807 4.110 1.00 0.00 C ATOM 1083 CE LYS A 65 3.258 -7.285 4.020 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.477 -7.679 2.611 1.00 0.00 N ATOM 0 H LYS A 65 -1.046 -7.284 2.673 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.572 -5.706 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.609 -5.632 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.612 -7.189 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.267 -6.083 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.255 -4.522 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.550 -5.215 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.994 -5.459 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.163 -7.468 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.470 -7.898 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.929 -8.615 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.564 -7.718 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.093 -6.981 2.147 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.522 -3.553 3.978 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.723 -2.310 3.253 1.00 0.00 C ATOM 1100 C GLY A 66 -1.715 -1.113 4.206 1.00 0.00 C ATOM 1101 O GLY A 66 -2.310 -1.166 5.281 1.00 0.00 O ATOM 0 H GLY A 66 -1.667 -3.487 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.939 -2.190 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.671 -2.347 2.717 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.033 -0.061 3.777 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.939 1.148 4.579 1.00 0.00 C ATOM 1107 C TYR A 67 -2.179 2.026 4.394 1.00 0.00 C ATOM 1108 O TYR A 67 -2.736 2.097 3.300 1.00 0.00 O ATOM 1109 CB TYR A 67 0.287 1.902 4.062 1.00 0.00 C ATOM 1110 CG TYR A 67 1.609 1.438 4.678 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.011 0.125 4.541 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.399 2.333 5.371 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.254 -0.312 5.121 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.642 1.896 5.951 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.009 0.596 5.797 1.00 0.00 C ATOM 1116 OH TYR A 67 5.183 0.183 6.345 1.00 0.00 O ATOM 0 H TYR A 67 -0.540 -0.020 2.885 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.862 0.902 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.342 1.786 2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.158 2.966 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.393 -0.575 3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.085 3.361 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.580 -1.337 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.269 2.586 6.496 1.00 0.00 H new ATOM 0 HH TYR A 67 5.155 0.314 7.316 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.574 2.672 5.481 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.737 3.543 5.452 1.00 0.00 C ATOM 1128 C ALA A 68 -3.315 4.963 5.834 1.00 0.00 C ATOM 1129 O ALA A 68 -2.319 5.153 6.531 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.815 2.985 6.383 1.00 0.00 C ATOM 0 H ALA A 68 -2.110 2.610 6.387 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.161 3.584 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.688 3.638 6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.101 1.987 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.426 2.932 7.400 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.093 5.925 5.360 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.813 7.322 5.643 1.00 0.00 C ATOM 1138 C LYS A 69 -4.985 7.927 6.418 1.00 0.00 C ATOM 1139 O LYS A 69 -6.084 8.063 5.882 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.477 8.073 4.352 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.193 7.530 3.721 1.00 0.00 C ATOM 1142 CD LYS A 69 -2.110 7.904 2.240 1.00 0.00 C ATOM 1143 CE LYS A 69 -3.120 7.104 1.415 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.624 7.914 0.283 1.00 0.00 N ATOM 0 H LYS A 69 -4.918 5.764 4.782 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.931 7.412 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.302 7.978 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.361 9.136 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.327 7.928 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.161 6.446 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.300 8.971 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.102 7.716 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.652 6.195 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.952 6.796 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.308 7.355 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.089 8.769 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.829 8.187 -0.330 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.712 8.272 7.667 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.730 8.859 8.522 1.00 0.00 C ATOM 1160 C LEU A 70 -5.521 10.373 8.591 1.00 0.00 C ATOM 1161 O LEU A 70 -4.443 10.838 8.957 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.739 8.176 9.891 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.523 8.892 10.992 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.942 9.226 10.527 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.522 8.075 12.286 1.00 0.00 C ATOM 0 H LEU A 70 -3.800 8.156 8.108 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.722 8.693 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.151 7.174 9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.708 8.060 10.224 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.024 9.837 11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.477 9.734 11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.895 9.876 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.466 8.306 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.086 8.607 13.052 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.983 7.104 12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.496 7.931 12.625 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.570 11.100 8.235 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.515 12.552 8.252 1.00 0.00 C ATOM 1179 C TYR A 71 -7.381 13.120 9.379 1.00 0.00 C ATOM 1180 O TYR A 71 -8.239 12.423 9.918 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.083 13.012 6.908 1.00 0.00 C ATOM 1182 CG TYR A 71 -6.129 12.811 5.728 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.887 11.541 5.244 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.511 13.900 5.148 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.990 11.353 4.134 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.613 13.712 4.038 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.397 12.447 3.586 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.549 12.269 2.537 1.00 0.00 O ATOM 0 H TYR A 71 -7.463 10.711 7.933 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.493 12.895 8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.008 12.469 6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.342 14.069 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.371 10.689 5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.701 14.893 5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.792 10.365 3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.122 14.555 3.575 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.200 13.138 2.247 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.125 14.379 9.701 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.870 15.049 10.753 1.00 0.00 C ATOM 1200 C GLU A 72 -9.129 15.701 10.180 1.00 0.00 C ATOM 1201 O GLU A 72 -10.149 15.795 10.861 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.997 16.079 11.472 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.208 15.430 12.611 1.00 0.00 C ATOM 1204 CD GLU A 72 -6.895 15.666 13.958 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -7.019 16.852 14.332 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -7.281 14.655 14.583 1.00 0.00 O ATOM 0 H GLU A 72 -6.412 14.953 9.252 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.174 14.303 11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.308 16.536 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.623 16.879 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.114 14.359 12.429 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.198 15.839 12.637 1.00 0.00 H new ATOM 1213 N ASP A 73 -9.016 16.135 8.933 1.00 0.00 N ATOM 1214 CA ASP A 73 -10.133 16.776 8.260 1.00 0.00 C ATOM 1215 C ASP A 73 -10.070 16.463 6.764 1.00 0.00 C ATOM 1216 O ASP A 73 -9.032 16.037 6.259 1.00 0.00 O ATOM 1217 CB ASP A 73 -10.078 18.296 8.427 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.918 18.851 9.580 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -12.121 18.515 9.619 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -10.337 19.597 10.397 1.00 0.00 O ATOM 0 H ASP A 73 -8.168 16.055 8.371 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.055 16.397 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.040 18.592 8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.410 18.761 7.499 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.192 16.686 6.097 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.277 16.433 4.668 1.00 0.00 C ATOM 1227 C ALA A 74 -10.651 17.604 3.909 1.00 0.00 C ATOM 1228 O ALA A 74 -10.007 17.408 2.880 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.738 16.198 4.277 1.00 0.00 C ATOM 0 H ALA A 74 -12.051 17.039 6.519 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.720 15.534 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.802 16.008 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.127 15.337 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.328 17.081 4.525 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.863 18.797 4.447 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.327 20.000 3.832 1.00 0.00 C ATOM 1237 C ASP A 75 -8.816 19.843 3.647 1.00 0.00 C ATOM 1238 O ASP A 75 -8.296 20.056 2.553 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.571 21.225 4.716 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.017 22.483 3.969 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.897 22.341 3.093 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -10.468 23.559 4.291 1.00 0.00 O ATOM 0 H ASP A 75 -11.398 18.956 5.301 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.827 20.141 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.329 20.974 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.654 21.450 5.260 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.154 19.473 4.733 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.714 19.286 4.704 1.00 0.00 C ATOM 1249 C ARG A 76 -6.329 18.298 3.601 1.00 0.00 C ATOM 1250 O ARG A 76 -5.432 18.570 2.804 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.199 18.766 6.048 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.543 19.888 6.855 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.493 21.077 7.013 1.00 0.00 C ATOM 1254 NE ARG A 76 -7.122 21.047 8.353 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.439 21.087 9.504 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -5.101 21.159 9.488 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -7.093 21.056 10.673 1.00 0.00 N ATOM 0 H ARG A 76 -8.589 19.298 5.639 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.258 20.255 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.025 18.339 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.479 17.965 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.256 19.514 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.629 20.212 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.946 22.010 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.261 21.044 6.241 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.139 20.992 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.602 21.183 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.581 21.189 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.111 21.002 10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.572 21.086 11.550 1.00 0.00 H new ATOM 1271 N MET A 77 -7.026 17.171 3.591 1.00 0.00 N ATOM 1272 CA MET A 77 -6.769 16.141 2.599 1.00 0.00 C ATOM 1273 C MET A 77 -6.775 16.727 1.185 1.00 0.00 C ATOM 1274 O MET A 77 -6.007 16.295 0.327 1.00 0.00 O ATOM 1275 CB MET A 77 -7.839 15.052 2.704 1.00 0.00 C ATOM 1276 CG MET A 77 -7.806 14.131 1.483 1.00 0.00 C ATOM 1277 SD MET A 77 -8.272 12.474 1.955 1.00 0.00 S ATOM 1278 CE MET A 77 -10.021 12.708 2.223 1.00 0.00 C ATOM 0 H MET A 77 -7.768 16.949 4.254 1.00 0.00 H new ATOM 0 HA MET A 77 -5.784 15.716 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.680 14.467 3.610 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.824 15.512 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.486 14.504 0.717 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.807 14.126 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.224 12.738 3.293 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.337 13.646 1.767 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.572 11.882 1.772 1.00 0.00 H new ATOM 1288 N LYS A 78 -7.649 17.702 0.987 1.00 0.00 N ATOM 1289 CA LYS A 78 -7.765 18.352 -0.307 1.00 0.00 C ATOM 1290 C LYS A 78 -6.520 19.205 -0.558 1.00 0.00 C ATOM 1291 O LYS A 78 -5.797 18.984 -1.528 1.00 0.00 O ATOM 1292 CB LYS A 78 -9.076 19.136 -0.398 1.00 0.00 C ATOM 1293 CG LYS A 78 -10.277 18.229 -0.124 1.00 0.00 C ATOM 1294 CD LYS A 78 -11.479 18.638 -0.978 1.00 0.00 C ATOM 1295 CE LYS A 78 -12.394 19.597 -0.213 1.00 0.00 C ATOM 1296 NZ LYS A 78 -13.767 19.552 -0.763 1.00 0.00 N ATOM 0 H LYS A 78 -8.284 18.058 1.701 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.809 17.609 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.064 19.956 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.170 19.581 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.011 17.193 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.542 18.280 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.133 19.114 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.040 17.751 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.410 19.329 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.003 20.612 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.375 20.208 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.749 19.830 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.143 18.586 -0.678 1.00 0.00 H new ATOM 1310 N GLN A 79 -6.308 20.162 0.333 1.00 0.00 N ATOM 1311 CA GLN A 79 -5.163 21.049 0.221 1.00 0.00 C ATOM 1312 C GLN A 79 -3.867 20.238 0.153 1.00 0.00 C ATOM 1313 O GLN A 79 -2.887 20.675 -0.447 1.00 0.00 O ATOM 1314 CB GLN A 79 -5.125 22.046 1.381 1.00 0.00 C ATOM 1315 CG GLN A 79 -6.097 23.203 1.141 1.00 0.00 C ATOM 1316 CD GLN A 79 -6.395 23.948 2.444 1.00 0.00 C ATOM 1317 OE1 GLN A 79 -6.022 25.094 2.633 1.00 0.00 O ATOM 1318 NE2 GLN A 79 -7.085 23.235 3.329 1.00 0.00 N ATOM 0 H GLN A 79 -6.910 20.343 1.136 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.261 21.620 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.381 21.538 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.113 22.434 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.673 23.894 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.025 22.821 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.366 22.280 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.333 23.643 4.230 1.00 0.00 H new ATOM 1327 N VAL A 80 -3.905 19.069 0.778 1.00 0.00 N ATOM 1328 CA VAL A 80 -2.746 18.193 0.796 1.00 0.00 C ATOM 1329 C VAL A 80 -2.606 17.511 -0.567 1.00 0.00 C ATOM 1330 O VAL A 80 -1.555 17.593 -1.201 1.00 0.00 O ATOM 1331 CB VAL A 80 -2.861 17.198 1.953 1.00 0.00 C ATOM 1332 CG1 VAL A 80 -1.696 16.206 1.940 1.00 0.00 C ATOM 1333 CG2 VAL A 80 -2.947 17.927 3.296 1.00 0.00 C ATOM 0 H VAL A 80 -4.720 18.709 1.275 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.836 18.767 0.967 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.783 16.633 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.801 15.510 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.700 15.652 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.755 16.748 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.028 17.197 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.050 18.530 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.824 18.574 3.303 1.00 0.00 H new ATOM 1343 N GLU A 81 -3.681 16.854 -0.977 1.00 0.00 N ATOM 1344 CA GLU A 81 -3.691 16.159 -2.253 1.00 0.00 C ATOM 1345 C GLU A 81 -3.681 17.165 -3.406 1.00 0.00 C ATOM 1346 O GLU A 81 -3.561 16.781 -4.569 1.00 0.00 O ATOM 1347 CB GLU A 81 -4.894 15.219 -2.356 1.00 0.00 C ATOM 1348 CG GLU A 81 -4.484 13.866 -2.939 1.00 0.00 C ATOM 1349 CD GLU A 81 -5.245 13.574 -4.235 1.00 0.00 C ATOM 1350 OE1 GLU A 81 -6.389 13.084 -4.123 1.00 0.00 O ATOM 1351 OE2 GLU A 81 -4.664 13.846 -5.307 1.00 0.00 O ATOM 0 H GLU A 81 -4.551 16.788 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.789 15.550 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.333 15.076 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.661 15.672 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.412 13.860 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.681 13.078 -2.212 1.00 0.00 H new ATOM 1358 N GLN A 82 -3.808 18.433 -3.044 1.00 0.00 N ATOM 1359 CA GLN A 82 -3.815 19.497 -4.033 1.00 0.00 C ATOM 1360 C GLN A 82 -2.383 19.877 -4.415 1.00 0.00 C ATOM 1361 O GLN A 82 -2.171 20.720 -5.284 1.00 0.00 O ATOM 1362 CB GLN A 82 -4.588 20.715 -3.523 1.00 0.00 C ATOM 1363 CG GLN A 82 -6.027 20.708 -4.042 1.00 0.00 C ATOM 1364 CD GLN A 82 -6.224 21.765 -5.130 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -5.281 22.334 -5.656 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -7.497 21.995 -5.438 1.00 0.00 N ATOM 0 H GLN A 82 -3.907 18.748 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.324 19.133 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.591 20.718 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.087 21.628 -3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.269 19.722 -4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.715 20.897 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.238 21.483 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.732 22.683 -6.153 1.00 0.00 H new ATOM 1375 N GLU A 83 -1.437 19.235 -3.745 1.00 0.00 N ATOM 1376 CA GLU A 83 -0.030 19.495 -4.003 1.00 0.00 C ATOM 1377 C GLU A 83 0.438 18.710 -5.230 1.00 0.00 C ATOM 1378 O GLU A 83 1.304 19.170 -5.973 1.00 0.00 O ATOM 1379 CB GLU A 83 0.823 19.159 -2.779 1.00 0.00 C ATOM 1380 CG GLU A 83 1.031 17.648 -2.653 1.00 0.00 C ATOM 1381 CD GLU A 83 1.832 17.308 -1.395 1.00 0.00 C ATOM 1382 OE1 GLU A 83 1.443 17.814 -0.320 1.00 0.00 O ATOM 1383 OE2 GLU A 83 2.815 16.549 -1.536 1.00 0.00 O ATOM 0 H GLU A 83 -1.617 18.536 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 83 0.091 20.559 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.789 19.657 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.340 19.539 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.064 17.146 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.554 17.275 -3.533 1.00 0.00 H new ATOM 1390 N TYR A 84 -0.155 17.538 -5.405 1.00 0.00 N ATOM 1391 CA TYR A 84 0.191 16.684 -6.529 1.00 0.00 C ATOM 1392 C TYR A 84 -0.983 16.558 -7.503 1.00 0.00 C ATOM 1393 O TYR A 84 -1.096 15.563 -8.217 1.00 0.00 O ATOM 1394 CB TYR A 84 0.496 15.308 -5.935 1.00 0.00 C ATOM 1395 CG TYR A 84 1.813 14.698 -6.421 1.00 0.00 C ATOM 1396 CD1 TYR A 84 2.989 14.978 -5.756 1.00 0.00 C ATOM 1397 CD2 TYR A 84 1.823 13.869 -7.524 1.00 0.00 C ATOM 1398 CE1 TYR A 84 4.229 14.404 -6.214 1.00 0.00 C ATOM 1399 CE2 TYR A 84 3.063 13.296 -7.982 1.00 0.00 C ATOM 1400 CZ TYR A 84 4.204 13.592 -7.304 1.00 0.00 C ATOM 1401 OH TYR A 84 5.374 13.050 -7.736 1.00 0.00 O ATOM 0 H TYR A 84 -0.873 17.160 -4.787 1.00 0.00 H new ATOM 0 HA TYR A 84 1.036 17.098 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.525 15.391 -4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.320 14.628 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.980 15.627 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.902 13.650 -8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.157 14.614 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.086 12.646 -8.844 1.00 0.00 H new ATOM 0 HH TYR A 84 5.205 12.491 -8.523 1.00 0.00 H new ATOM 1411 N VAL A 85 -1.826 17.580 -7.499 1.00 0.00 N ATOM 1412 CA VAL A 85 -2.986 17.595 -8.373 1.00 0.00 C ATOM 1413 C VAL A 85 -2.616 18.275 -9.693 1.00 0.00 C ATOM 1414 O VAL A 85 -1.466 18.217 -10.124 1.00 0.00 O ATOM 1415 CB VAL A 85 -4.166 18.266 -7.666 1.00 0.00 C ATOM 1416 CG1 VAL A 85 -4.088 19.788 -7.794 1.00 0.00 C ATOM 1417 CG2 VAL A 85 -5.498 17.738 -8.200 1.00 0.00 C ATOM 0 H VAL A 85 -1.729 18.403 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.300 16.578 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.108 18.016 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.938 20.240 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.162 20.144 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.108 20.066 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.320 18.231 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.569 17.943 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.557 16.663 -8.032 1.00 0.00 H new ATOM 1427 N LEU A 86 -3.614 18.903 -10.298 1.00 0.00 N ATOM 1428 CA LEU A 86 -3.408 19.593 -11.560 1.00 0.00 C ATOM 1429 C LEU A 86 -2.276 20.610 -11.401 1.00 0.00 C ATOM 1430 O LEU A 86 -2.488 21.704 -10.879 1.00 0.00 O ATOM 1431 CB LEU A 86 -4.719 20.205 -12.057 1.00 0.00 C ATOM 1432 CG LEU A 86 -5.360 21.250 -11.141 1.00 0.00 C ATOM 1433 CD1 LEU A 86 -5.370 22.629 -11.805 1.00 0.00 C ATOM 1434 CD2 LEU A 86 -6.761 20.813 -10.708 1.00 0.00 C ATOM 0 H LEU A 86 -4.567 18.948 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.099 18.889 -12.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.537 20.665 -13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.436 19.400 -12.215 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.754 21.331 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.831 23.353 -11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.347 22.936 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.940 22.582 -12.733 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.194 21.573 -10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.391 20.686 -11.588 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.697 19.868 -10.169 1.00 0.00 H new ATOM 1446 N LYS A 87 -1.098 20.214 -11.861 1.00 0.00 N ATOM 1447 CA LYS A 87 0.068 21.077 -11.777 1.00 0.00 C ATOM 1448 C LYS A 87 0.440 21.563 -13.179 1.00 0.00 C ATOM 1449 O LYS A 87 0.133 20.903 -14.171 1.00 0.00 O ATOM 1450 CB LYS A 87 1.210 20.366 -11.049 1.00 0.00 C ATOM 1451 CG LYS A 87 1.746 19.198 -11.880 1.00 0.00 C ATOM 1452 CD LYS A 87 2.323 18.104 -10.980 1.00 0.00 C ATOM 1453 CE LYS A 87 3.824 18.305 -10.764 1.00 0.00 C ATOM 1454 NZ LYS A 87 4.244 17.724 -9.469 1.00 0.00 N ATOM 0 H LYS A 87 -0.926 19.306 -12.293 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.156 21.962 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.014 21.074 -10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.859 20.000 -10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.945 18.785 -12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.517 19.556 -12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.810 18.111 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.144 17.127 -11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.380 17.837 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.061 19.369 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.265 17.869 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.727 18.189 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.035 16.705 -9.462 1.00 0.00 H new ATOM 1468 N ARG A 88 1.096 22.713 -13.218 1.00 0.00 N ATOM 1469 CA ARG A 88 1.513 23.295 -14.482 1.00 0.00 C ATOM 1470 C ARG A 88 3.033 23.201 -14.634 1.00 0.00 C ATOM 1471 O ARG A 88 3.747 22.997 -13.653 1.00 0.00 O ATOM 1472 CB ARG A 88 1.088 24.762 -14.581 1.00 0.00 C ATOM 1473 CG ARG A 88 1.353 25.316 -15.982 1.00 0.00 C ATOM 1474 CD ARG A 88 0.511 26.566 -16.245 1.00 0.00 C ATOM 1475 NE ARG A 88 -0.654 26.223 -17.090 1.00 0.00 N ATOM 1476 CZ ARG A 88 -1.660 27.066 -17.362 1.00 0.00 C ATOM 1477 NH1 ARG A 88 -1.648 28.308 -16.857 1.00 0.00 N ATOM 1478 NH2 ARG A 88 -2.677 26.669 -18.138 1.00 0.00 N ATOM 0 H ARG A 88 1.349 23.258 -12.394 1.00 0.00 H new ATOM 0 HA ARG A 88 1.028 22.733 -15.281 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.028 24.854 -14.344 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.632 25.352 -13.844 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.411 25.557 -16.088 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.123 24.555 -16.728 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.173 26.992 -15.300 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.117 27.326 -16.738 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.694 25.286 -17.491 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.874 28.611 -16.266 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.413 28.950 -17.064 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.686 25.724 -18.523 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.442 27.311 -18.344 1.00 0.00 H new ATOM 1492 N ASN A 89 3.482 23.353 -15.871 1.00 0.00 N ATOM 1493 CA ASN A 89 4.904 23.288 -16.164 1.00 0.00 C ATOM 1494 C ASN A 89 5.163 23.886 -17.548 1.00 0.00 C ATOM 1495 O ASN A 89 5.826 23.269 -18.381 1.00 0.00 O ATOM 1496 CB ASN A 89 5.398 21.839 -16.175 1.00 0.00 C ATOM 1497 CG ASN A 89 4.724 21.022 -15.071 1.00 0.00 C ATOM 1498 OD1 ASN A 89 5.169 20.977 -13.936 1.00 0.00 O ATOM 1499 ND2 ASN A 89 3.628 20.380 -15.466 1.00 0.00 N ATOM 0 H ASN A 89 2.887 23.521 -16.682 1.00 0.00 H new ATOM 0 HA ASN A 89 5.434 23.844 -15.391 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.190 21.387 -17.145 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.479 21.819 -16.039 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.106 19.807 -14.803 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.310 20.461 -16.432 1.00 0.00 H new ATOM 1506 N ALA A 90 4.628 25.080 -17.751 1.00 0.00 N ATOM 1507 CA ALA A 90 4.793 25.769 -19.020 1.00 0.00 C ATOM 1508 C ALA A 90 4.306 27.213 -18.879 1.00 0.00 C ATOM 1509 O ALA A 90 3.524 27.523 -17.981 1.00 0.00 O ATOM 1510 CB ALA A 90 4.045 25.006 -20.115 1.00 0.00 C ATOM 0 H ALA A 90 4.079 25.589 -17.058 1.00 0.00 H new ATOM 0 HA ALA A 90 5.845 25.802 -19.305 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.168 25.522 -21.067 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.448 23.996 -20.195 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.985 24.955 -19.864 1.00 0.00 H new ATOM 1516 N VAL A 91 4.789 28.057 -19.778 1.00 0.00 N ATOM 1517 CA VAL A 91 4.413 29.460 -19.765 1.00 0.00 C ATOM 1518 C VAL A 91 3.019 29.616 -20.376 1.00 0.00 C ATOM 1519 O VAL A 91 2.738 29.064 -21.439 1.00 0.00 O ATOM 1520 CB VAL A 91 5.477 30.294 -20.483 1.00 0.00 C ATOM 1521 CG1 VAL A 91 5.046 31.757 -20.592 1.00 0.00 C ATOM 1522 CG2 VAL A 91 6.833 30.172 -19.784 1.00 0.00 C ATOM 0 H VAL A 91 5.438 27.796 -20.521 1.00 0.00 H new ATOM 0 HA VAL A 91 4.363 29.832 -18.742 1.00 0.00 H new ATOM 0 HB VAL A 91 5.585 29.901 -21.494 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.820 32.327 -21.106 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.114 31.821 -21.154 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.896 32.167 -19.593 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.571 30.774 -20.314 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.746 30.526 -18.757 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.149 29.129 -19.783 1.00 0.00 H new ATOM 1532 N PRO A 92 2.161 30.390 -19.660 1.00 0.00 N ATOM 1533 CA PRO A 92 0.803 30.626 -20.120 1.00 0.00 C ATOM 1534 C PRO A 92 0.783 31.620 -21.283 1.00 0.00 C ATOM 1535 O PRO A 92 1.829 31.953 -21.838 1.00 0.00 O ATOM 1536 CB PRO A 92 0.055 31.129 -18.896 1.00 0.00 C ATOM 1537 CG PRO A 92 1.120 31.597 -17.919 1.00 0.00 C ATOM 1538 CD PRO A 92 2.459 31.060 -18.397 1.00 0.00 C ATOM 0 HA PRO A 92 0.331 29.727 -20.517 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.619 31.944 -19.158 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.555 30.338 -18.459 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.141 32.686 -17.870 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.901 31.237 -16.914 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.181 31.864 -18.536 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.889 30.368 -17.673 1.00 0.00 H new ATOM 1546 N GLY A 93 -0.419 32.065 -21.618 1.00 0.00 N ATOM 1547 CA GLY A 93 -0.589 33.014 -22.705 1.00 0.00 C ATOM 1548 C GLY A 93 -0.051 34.393 -22.318 1.00 0.00 C ATOM 1549 O GLY A 93 1.119 34.531 -21.966 1.00 0.00 O ATOM 0 H GLY A 93 -1.284 31.786 -21.156 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.069 32.653 -23.592 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.645 33.091 -22.963 1.00 0.00 H new ATOM 1553 N SER A 94 -0.932 35.380 -22.397 1.00 0.00 N ATOM 1554 CA SER A 94 -0.561 36.744 -22.060 1.00 0.00 C ATOM 1555 C SER A 94 -1.649 37.713 -22.525 1.00 0.00 C ATOM 1556 O SER A 94 -2.022 37.717 -23.698 1.00 0.00 O ATOM 1557 CB SER A 94 0.785 37.118 -22.683 1.00 0.00 C ATOM 1558 OG SER A 94 0.971 38.530 -22.745 1.00 0.00 O ATOM 0 H SER A 94 -1.902 35.262 -22.690 1.00 0.00 H new ATOM 0 HA SER A 94 -0.461 36.814 -20.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.591 36.671 -22.100 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.848 36.700 -23.687 1.00 0.00 H new ATOM 0 HG SER A 94 1.842 38.728 -23.147 1.00 0.00 H new ATOM 1564 N GLU A 95 -2.128 38.511 -21.583 1.00 0.00 N ATOM 1565 CA GLU A 95 -3.167 39.483 -21.882 1.00 0.00 C ATOM 1566 C GLU A 95 -2.623 40.905 -21.727 1.00 0.00 C ATOM 1567 O GLU A 95 -2.216 41.302 -20.636 1.00 0.00 O ATOM 1568 CB GLU A 95 -4.393 39.265 -20.994 1.00 0.00 C ATOM 1569 CG GLU A 95 -3.999 39.217 -19.516 1.00 0.00 C ATOM 1570 CD GLU A 95 -3.948 37.774 -19.009 1.00 0.00 C ATOM 1571 OE1 GLU A 95 -4.854 37.004 -19.396 1.00 0.00 O ATOM 1572 OE2 GLU A 95 -3.004 37.473 -18.247 1.00 0.00 O ATOM 0 H GLU A 95 -1.816 38.505 -20.612 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.480 39.345 -22.917 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.111 40.068 -21.156 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.887 38.334 -21.273 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.026 39.689 -19.380 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.716 39.788 -18.926 1.00 0.00 H new ATOM 1579 N THR A 96 -2.635 41.632 -22.834 1.00 0.00 N ATOM 1580 CA THR A 96 -2.148 43.001 -22.835 1.00 0.00 C ATOM 1581 C THR A 96 -3.307 43.979 -23.040 1.00 0.00 C ATOM 1582 O THR A 96 -4.412 43.748 -22.552 1.00 0.00 O ATOM 1583 CB THR A 96 -1.060 43.116 -23.905 1.00 0.00 C ATOM 1584 OG1 THR A 96 -0.548 44.435 -23.739 1.00 0.00 O ATOM 1585 CG2 THR A 96 -1.632 43.114 -25.324 1.00 0.00 C ATOM 0 H THR A 96 -2.974 41.299 -23.737 1.00 0.00 H new ATOM 0 HA THR A 96 -1.707 43.264 -21.873 1.00 0.00 H new ATOM 0 HB THR A 96 -0.356 42.291 -23.796 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.165 44.594 -24.393 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.818 43.198 -26.044 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.175 42.185 -25.496 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.311 43.958 -25.444 1.00 0.00 H new ATOM 1593 N GLU A 97 -3.015 45.050 -23.764 1.00 0.00 N ATOM 1594 CA GLU A 97 -4.019 46.063 -24.039 1.00 0.00 C ATOM 1595 C GLU A 97 -3.381 47.267 -24.735 1.00 0.00 C ATOM 1596 O GLU A 97 -2.779 48.119 -24.082 1.00 0.00 O ATOM 1597 CB GLU A 97 -4.736 46.488 -22.757 1.00 0.00 C ATOM 1598 CG GLU A 97 -6.254 46.385 -22.917 1.00 0.00 C ATOM 1599 CD GLU A 97 -6.733 44.950 -22.686 1.00 0.00 C ATOM 1600 OE1 GLU A 97 -7.001 44.623 -21.510 1.00 0.00 O ATOM 1601 OE2 GLU A 97 -6.822 44.213 -23.692 1.00 0.00 O ATOM 0 H GLU A 97 -2.098 45.238 -24.168 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.765 45.634 -24.708 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.411 45.859 -21.929 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.462 47.513 -22.506 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.744 47.054 -22.210 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.541 46.712 -23.916 1.00 0.00 H new ATOM 1608 N GLY A 98 -3.533 47.300 -26.051 1.00 0.00 N ATOM 1609 CA GLY A 98 -2.979 48.385 -26.842 1.00 0.00 C ATOM 1610 C GLY A 98 -3.673 48.482 -28.202 1.00 0.00 C ATOM 1611 O GLY A 98 -3.024 48.391 -29.243 1.00 0.00 O ATOM 0 H GLY A 98 -4.032 46.592 -26.589 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.092 49.326 -26.304 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.910 48.226 -26.986 1.00 0.00 H new ATOM 1615 N GLU A 99 -4.984 48.666 -28.149 1.00 0.00 N ATOM 1616 CA GLU A 99 -5.774 48.777 -29.364 1.00 0.00 C ATOM 1617 C GLU A 99 -6.182 50.233 -29.600 1.00 0.00 C ATOM 1618 O GLU A 99 -7.102 50.736 -28.957 1.00 0.00 O ATOM 1619 CB GLU A 99 -7.002 47.866 -29.304 1.00 0.00 C ATOM 1620 CG GLU A 99 -7.554 47.782 -27.880 1.00 0.00 C ATOM 1621 CD GLU A 99 -9.004 47.294 -27.881 1.00 0.00 C ATOM 1622 OE1 GLU A 99 -9.294 46.380 -28.683 1.00 0.00 O ATOM 1623 OE2 GLU A 99 -9.789 47.846 -27.081 1.00 0.00 O ATOM 0 H GLU A 99 -5.519 48.741 -27.284 1.00 0.00 H new ATOM 0 HA GLU A 99 -5.161 48.451 -30.204 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.773 48.245 -29.975 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.737 46.869 -29.654 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.939 47.105 -27.287 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.497 48.762 -27.406 1.00 0.00 H new ATOM 1630 N GLU A 100 -5.478 50.868 -30.525 1.00 0.00 N ATOM 1631 CA GLU A 100 -5.755 52.256 -30.855 1.00 0.00 C ATOM 1632 C GLU A 100 -4.783 52.751 -31.927 1.00 0.00 C ATOM 1633 O GLU A 100 -3.573 52.565 -31.807 1.00 0.00 O ATOM 1634 CB GLU A 100 -5.692 53.139 -29.607 1.00 0.00 C ATOM 1635 CG GLU A 100 -6.745 54.247 -29.666 1.00 0.00 C ATOM 1636 CD GLU A 100 -7.454 54.401 -28.318 1.00 0.00 C ATOM 1637 OE1 GLU A 100 -6.740 54.361 -27.293 1.00 0.00 O ATOM 1638 OE2 GLU A 100 -8.694 54.555 -28.344 1.00 0.00 O ATOM 0 H GLU A 100 -4.716 50.447 -31.057 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.767 52.319 -31.254 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.850 52.529 -28.717 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.699 53.580 -29.519 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.272 55.189 -29.942 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.476 54.018 -30.442 1.00 0.00 H new ATOM 1645 N ALA A 101 -5.348 53.373 -32.952 1.00 0.00 N ATOM 1646 CA ALA A 101 -4.546 53.896 -34.045 1.00 0.00 C ATOM 1647 C ALA A 101 -5.472 54.405 -35.152 1.00 0.00 C ATOM 1648 O ALA A 101 -5.912 53.632 -36.002 1.00 0.00 O ATOM 1649 CB ALA A 101 -3.586 52.812 -34.539 1.00 0.00 C ATOM 0 H ALA A 101 -6.352 53.526 -33.048 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.940 54.738 -33.709 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.985 53.205 -35.359 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.931 52.506 -33.723 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.157 51.952 -34.888 1.00 0.00 H new TER 1655 ALA A 101