USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 840 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 4 THR OG1 : rot 129:sc= 1.21 USER MOD Set 1.2: A 40 THR OG1 : rot 180:sc= 0.408 USER MOD Set 1.3: A 41 ASN : amide:sc= -1.05 K(o=0.57,f=-0.96) USER MOD Single : A 3 THR OG1 : rot -29:sc= 0.0078 USER MOD Single : A 5 THR OG1 : rot 42:sc= 0.552 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 8 LYS NZ :NH3+ -123:sc= 0.693 (180deg=-0.548) USER MOD Single : A 10 THR OG1 : rot 5:sc= 0.985 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -163:sc= -0.0817 (180deg=-0.467) USER MOD Single : A 28 TYR OH : rot 77:sc= 0.388 USER MOD Single : A 32 THR OG1 : rot -36:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= -1.46 (180deg=-4.3!) USER MOD Single : A 37 MET CE :methyl -157:sc= -1.8 (180deg=-2.67!) USER MOD Single : A 39 MET CE :methyl 139:sc= -0.195 (180deg=-0.743) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.141) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc=-0.00341 USER MOD Single : A 58 SER OG : rot 162:sc= -1.17 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 67 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.052) USER MOD Single : A 69 ASN : amide:sc= 0.0729 X(o=0.073,f=-0.017) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.0664 (180deg=-0.411) USER MOD Single : A 71 ASN : amide:sc= -5.97! K(o=-6!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -130:sc= 0.0722 (180deg=-0.00156) USER MOD Single : A 79 THR OG1 : rot 78:sc= 0.0036 USER MOD Single : A 80 ASN : amide:sc= -2.7! C(o=-2.7!,f=-5.9!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 85 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -0.508 (180deg=-1.67!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.48) USER MOD Single : A 97 TYR OH : rot -130:sc= -0.79 USER MOD Single : A 99 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.53) USER MOD Single : A 100 CYS SG : rot 158:sc= -1.55 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.472) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -14.408 -8.475 -0.701 1.00 1.12 N ATOM 26 CA THR A 3 -13.266 -9.184 -0.126 1.00 0.81 C ATOM 27 C THR A 3 -12.030 -9.075 -1.015 1.00 0.72 C ATOM 28 O THR A 3 -11.986 -8.263 -1.940 1.00 0.87 O ATOM 29 CB THR A 3 -13.585 -10.673 0.116 1.00 2.03 C ATOM 30 OG1 THR A 3 -13.793 -11.346 -1.133 1.00 2.79 O ATOM 31 CG2 THR A 3 -14.822 -10.827 0.988 1.00 2.21 C ATOM 0 HA THR A 3 -13.058 -8.706 0.831 1.00 0.81 H new ATOM 0 HB THR A 3 -12.735 -11.120 0.631 1.00 2.03 H new ATOM 0 HG1 THR A 3 -14.145 -10.711 -1.792 1.00 2.79 H new ATOM 0 HG21 THR A 3 -15.027 -11.886 1.145 1.00 2.21 H new ATOM 0 HG22 THR A 3 -14.651 -10.344 1.950 1.00 2.21 H new ATOM 0 HG23 THR A 3 -15.675 -10.361 0.495 1.00 2.21 H new ATOM 39 N THR A 4 -11.023 -9.892 -0.721 1.00 0.63 N ATOM 40 CA THR A 4 -9.782 -9.892 -1.489 1.00 0.58 C ATOM 41 C THR A 4 -9.943 -10.666 -2.793 1.00 0.56 C ATOM 42 O THR A 4 -10.718 -11.619 -2.872 1.00 0.75 O ATOM 43 CB THR A 4 -8.624 -10.510 -0.683 1.00 0.73 C ATOM 44 OG1 THR A 4 -8.970 -11.836 -0.268 1.00 0.93 O ATOM 45 CG2 THR A 4 -8.299 -9.661 0.537 1.00 0.89 C ATOM 0 H THR A 4 -11.042 -10.564 0.046 1.00 0.63 H new ATOM 0 HA THR A 4 -9.548 -8.851 -1.712 1.00 0.58 H new ATOM 0 HB THR A 4 -7.744 -10.547 -1.325 1.00 0.73 H new ATOM 0 HG1 THR A 4 -8.250 -12.454 -0.513 1.00 0.93 H new ATOM 0 HG21 THR A 4 -7.478 -10.118 1.090 1.00 0.89 H new ATOM 0 HG22 THR A 4 -8.008 -8.660 0.217 1.00 0.89 H new ATOM 0 HG23 THR A 4 -9.177 -9.596 1.179 1.00 0.89 H new ATOM 53 N THR A 5 -9.201 -10.245 -3.813 1.00 0.47 N ATOM 54 CA THR A 5 -9.242 -10.892 -5.119 1.00 0.52 C ATOM 55 C THR A 5 -8.868 -12.367 -5.014 1.00 0.69 C ATOM 56 O THR A 5 -9.172 -13.150 -5.913 1.00 1.62 O ATOM 57 CB THR A 5 -8.278 -10.195 -6.106 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.925 -9.068 -6.706 1.00 0.49 O ATOM 59 CG2 THR A 5 -7.797 -11.148 -7.195 1.00 0.50 C ATOM 0 H THR A 5 -8.560 -9.453 -3.758 1.00 0.47 H new ATOM 0 HA THR A 5 -10.263 -10.810 -5.490 1.00 0.52 H new ATOM 0 HB THR A 5 -7.407 -9.865 -5.539 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.434 -8.582 -6.024 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.122 -10.620 -7.868 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.272 -11.987 -6.738 1.00 0.50 H new ATOM 0 HG23 THR A 5 -8.653 -11.519 -7.758 1.00 0.50 H new ATOM 67 N ASN A 6 -8.223 -12.718 -3.899 1.00 0.63 N ATOM 68 CA ASN A 6 -7.750 -14.079 -3.631 1.00 0.68 C ATOM 69 C ASN A 6 -6.325 -14.242 -4.141 1.00 0.57 C ATOM 70 O ASN A 6 -5.740 -15.322 -4.050 1.00 0.62 O ATOM 71 CB ASN A 6 -8.656 -15.151 -4.245 1.00 0.82 C ATOM 72 CG ASN A 6 -10.012 -15.223 -3.571 1.00 1.42 C ATOM 73 OD1 ASN A 6 -10.951 -14.529 -3.961 1.00 2.05 O ATOM 74 ND2 ASN A 6 -10.121 -16.068 -2.552 1.00 2.12 N ATOM 0 H ASN A 6 -8.012 -12.059 -3.149 1.00 0.63 H new ATOM 0 HA ASN A 6 -7.776 -14.222 -2.551 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -8.792 -14.942 -5.306 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -8.166 -16.122 -4.172 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -11.009 -16.161 -2.059 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -9.316 -16.624 -2.262 1.00 2.12 H new ATOM 81 N GLU A 7 -5.775 -13.158 -4.680 1.00 0.47 N ATOM 82 CA GLU A 7 -4.410 -13.167 -5.188 1.00 0.40 C ATOM 83 C GLU A 7 -3.454 -12.636 -4.127 1.00 0.42 C ATOM 84 O GLU A 7 -3.423 -11.437 -3.846 1.00 0.50 O ATOM 85 CB GLU A 7 -4.304 -12.323 -6.458 1.00 0.37 C ATOM 86 CG GLU A 7 -3.989 -13.137 -7.704 1.00 0.42 C ATOM 87 CD GLU A 7 -5.006 -14.233 -7.959 1.00 0.94 C ATOM 88 OE1 GLU A 7 -6.045 -13.943 -8.589 1.00 0.85 O ATOM 89 OE2 GLU A 7 -4.763 -15.381 -7.531 1.00 1.65 O ATOM 0 H GLU A 7 -6.255 -12.263 -4.776 1.00 0.47 H new ATOM 0 HA GLU A 7 -4.138 -14.194 -5.431 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.243 -11.790 -6.610 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.528 -11.570 -6.320 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.952 -12.473 -8.567 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.999 -13.582 -7.602 1.00 0.42 H new ATOM 96 N LYS A 8 -2.675 -13.538 -3.542 1.00 0.40 N ATOM 97 CA LYS A 8 -1.721 -13.174 -2.501 1.00 0.44 C ATOM 98 C LYS A 8 -0.513 -12.460 -3.090 1.00 0.41 C ATOM 99 O LYS A 8 0.045 -11.553 -2.476 1.00 0.45 O ATOM 100 CB LYS A 8 -1.287 -14.436 -1.735 1.00 0.55 C ATOM 101 CG LYS A 8 0.194 -14.491 -1.369 1.00 0.60 C ATOM 102 CD LYS A 8 0.533 -13.530 -0.240 1.00 0.58 C ATOM 103 CE LYS A 8 2.022 -13.509 0.056 1.00 0.70 C ATOM 104 NZ LYS A 8 2.494 -14.799 0.628 1.00 1.44 N ATOM 0 H LYS A 8 -2.686 -14.532 -3.772 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.205 -12.485 -1.809 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -1.875 -14.507 -0.820 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -1.529 -15.311 -2.339 1.00 0.55 H new ATOM 0 HG2 LYS A 8 0.458 -15.506 -1.073 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.794 -14.248 -2.246 1.00 0.60 H new ATOM 0 HD2 LYS A 8 0.201 -12.526 -0.505 1.00 0.58 H new ATOM 0 HD3 LYS A 8 -0.012 -13.819 0.659 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.571 -13.296 -0.861 1.00 0.70 H new ATOM 0 HE3 LYS A 8 2.242 -12.701 0.754 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 2.946 -14.626 1.549 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 1.684 -15.440 0.755 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 3.182 -15.234 -0.019 1.00 1.44 H new ATOM 118 N ILE A 9 -0.127 -12.864 -4.289 1.00 0.42 N ATOM 119 CA ILE A 9 1.034 -12.285 -4.950 1.00 0.43 C ATOM 120 C ILE A 9 0.658 -11.146 -5.897 1.00 0.36 C ATOM 121 O ILE A 9 -0.495 -10.713 -5.938 1.00 0.32 O ATOM 122 CB ILE A 9 1.814 -13.360 -5.739 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.110 -13.689 -7.066 1.00 0.53 C ATOM 124 CG2 ILE A 9 1.971 -14.618 -4.896 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.322 -14.160 -6.910 1.00 0.51 C ATOM 0 H ILE A 9 -0.600 -13.591 -4.826 1.00 0.42 H new ATOM 0 HA ILE A 9 1.664 -11.878 -4.159 1.00 0.43 H new ATOM 0 HB ILE A 9 2.803 -12.964 -5.971 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.122 -12.802 -7.700 1.00 0.53 H new ATOM 0 HG13 ILE A 9 1.680 -14.460 -7.585 1.00 0.53 H new ATOM 0 HG21 ILE A 9 2.522 -15.369 -5.462 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.517 -14.379 -3.983 1.00 0.62 H new ATOM 0 HG23 ILE A 9 0.987 -15.008 -4.638 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.745 -14.370 -7.892 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.343 -15.066 -6.304 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -0.909 -13.383 -6.421 1.00 0.51 H new ATOM 137 N THR A 10 1.646 -10.671 -6.659 1.00 0.38 N ATOM 138 CA THR A 10 1.433 -9.584 -7.611 1.00 0.36 C ATOM 139 C THR A 10 2.643 -9.389 -8.528 1.00 0.42 C ATOM 140 O THR A 10 2.637 -8.519 -9.398 1.00 0.57 O ATOM 141 CB THR A 10 1.126 -8.262 -6.886 1.00 0.37 C ATOM 142 OG1 THR A 10 1.219 -7.157 -7.789 1.00 0.34 O ATOM 143 CG2 THR A 10 2.081 -8.055 -5.732 1.00 0.39 C ATOM 0 H THR A 10 2.602 -11.024 -6.633 1.00 0.38 H new ATOM 0 HA THR A 10 0.575 -9.866 -8.221 1.00 0.36 H new ATOM 0 HB THR A 10 0.108 -8.319 -6.500 1.00 0.37 H new ATOM 0 HG1 THR A 10 1.384 -7.489 -8.696 1.00 0.34 H new ATOM 0 HG21 THR A 10 1.848 -7.115 -5.231 1.00 0.39 H new ATOM 0 HG22 THR A 10 1.980 -8.878 -5.024 1.00 0.39 H new ATOM 0 HG23 THR A 10 3.104 -8.023 -6.107 1.00 0.39 H new ATOM 151 N LYS A 11 3.685 -10.192 -8.335 1.00 0.43 N ATOM 152 CA LYS A 11 4.874 -10.096 -9.179 1.00 0.52 C ATOM 153 C LYS A 11 4.498 -10.413 -10.620 1.00 0.54 C ATOM 154 O LYS A 11 5.157 -9.979 -11.565 1.00 0.65 O ATOM 155 CB LYS A 11 5.964 -11.052 -8.687 1.00 0.61 C ATOM 156 CG LYS A 11 7.262 -10.962 -9.480 1.00 0.71 C ATOM 157 CD LYS A 11 7.610 -12.291 -10.136 1.00 1.08 C ATOM 158 CE LYS A 11 6.556 -12.711 -11.151 1.00 0.69 C ATOM 159 NZ LYS A 11 6.897 -14.005 -11.804 1.00 1.09 N ATOM 0 H LYS A 11 3.732 -10.909 -7.611 1.00 0.43 H new ATOM 0 HA LYS A 11 5.268 -9.081 -9.125 1.00 0.52 H new ATOM 0 HB2 LYS A 11 6.174 -10.841 -7.638 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.588 -12.074 -8.737 1.00 0.61 H new ATOM 0 HG2 LYS A 11 7.169 -10.191 -10.245 1.00 0.71 H new ATOM 0 HG3 LYS A 11 8.073 -10.659 -8.818 1.00 0.71 H new ATOM 0 HD2 LYS A 11 8.579 -12.211 -10.629 1.00 1.08 H new ATOM 0 HD3 LYS A 11 7.705 -13.061 -9.370 1.00 1.08 H new ATOM 0 HE2 LYS A 11 5.589 -12.799 -10.655 1.00 0.69 H new ATOM 0 HE3 LYS A 11 6.455 -11.936 -11.911 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 6.154 -14.255 -12.488 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 7.807 -13.915 -12.299 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 6.968 -14.750 -11.082 1.00 1.09 H new ATOM 173 N LEU A 12 3.423 -11.177 -10.763 1.00 0.56 N ATOM 174 CA LEU A 12 2.899 -11.573 -12.064 1.00 0.72 C ATOM 175 C LEU A 12 2.587 -10.350 -12.925 1.00 0.94 C ATOM 176 O LEU A 12 2.685 -10.398 -14.150 1.00 1.09 O ATOM 177 CB LEU A 12 1.645 -12.434 -11.881 1.00 0.85 C ATOM 178 CG LEU A 12 0.896 -12.786 -13.170 1.00 1.76 C ATOM 179 CD1 LEU A 12 1.772 -13.625 -14.088 1.00 2.45 C ATOM 180 CD2 LEU A 12 -0.398 -13.520 -12.848 1.00 2.34 C ATOM 0 H LEU A 12 2.887 -11.542 -9.975 1.00 0.56 H new ATOM 0 HA LEU A 12 3.660 -12.159 -12.579 1.00 0.72 H new ATOM 0 HB2 LEU A 12 1.930 -13.360 -11.382 1.00 0.85 H new ATOM 0 HB3 LEU A 12 0.960 -11.911 -11.214 1.00 0.85 H new ATOM 0 HG LEU A 12 0.649 -11.859 -13.688 1.00 1.76 H new ATOM 0 HD11 LEU A 12 1.221 -13.864 -14.998 1.00 2.45 H new ATOM 0 HD12 LEU A 12 2.671 -13.065 -14.345 1.00 2.45 H new ATOM 0 HD13 LEU A 12 2.052 -14.548 -13.580 1.00 2.45 H new ATOM 0 HD21 LEU A 12 -0.919 -13.763 -13.774 1.00 2.34 H new ATOM 0 HD22 LEU A 12 -0.170 -14.439 -12.308 1.00 2.34 H new ATOM 0 HD23 LEU A 12 -1.033 -12.884 -12.231 1.00 2.34 H new ATOM 261 N GLU A 18 9.899 -4.206 -16.767 1.00 1.16 N ATOM 262 CA GLU A 18 9.524 -3.554 -15.515 1.00 0.97 C ATOM 263 C GLU A 18 10.041 -4.322 -14.309 1.00 0.88 C ATOM 264 O GLU A 18 9.315 -4.491 -13.335 1.00 0.81 O ATOM 265 CB GLU A 18 8.003 -3.416 -15.434 1.00 0.88 C ATOM 266 CG GLU A 18 7.392 -2.706 -16.630 1.00 1.36 C ATOM 267 CD GLU A 18 5.884 -2.593 -16.531 1.00 1.94 C ATOM 268 OE1 GLU A 18 5.190 -3.575 -16.869 1.00 2.24 O ATOM 269 OE2 GLU A 18 5.395 -1.522 -16.116 1.00 2.69 O ATOM 0 HA GLU A 18 9.981 -2.564 -15.502 1.00 0.97 H new ATOM 0 HB2 GLU A 18 7.561 -4.408 -15.346 1.00 0.88 H new ATOM 0 HB3 GLU A 18 7.744 -2.870 -14.527 1.00 0.88 H new ATOM 0 HG2 GLU A 18 7.823 -1.708 -16.715 1.00 1.36 H new ATOM 0 HG3 GLU A 18 7.654 -3.245 -17.541 1.00 1.36 H new ATOM 276 N PRO A 19 11.310 -4.778 -14.334 1.00 0.92 N ATOM 277 CA PRO A 19 11.881 -5.510 -13.209 1.00 0.87 C ATOM 278 C PRO A 19 11.995 -4.611 -11.994 1.00 0.77 C ATOM 279 O PRO A 19 12.122 -5.082 -10.866 1.00 0.77 O ATOM 280 CB PRO A 19 13.264 -5.935 -13.708 1.00 0.98 C ATOM 281 CG PRO A 19 13.594 -4.953 -14.778 1.00 1.05 C ATOM 282 CD PRO A 19 12.289 -4.601 -15.426 1.00 1.05 C ATOM 0 HA PRO A 19 11.271 -6.359 -12.902 1.00 0.87 H new ATOM 0 HB2 PRO A 19 14.001 -5.909 -12.905 1.00 0.98 H new ATOM 0 HB3 PRO A 19 13.250 -6.954 -14.095 1.00 0.98 H new ATOM 0 HG2 PRO A 19 14.075 -4.068 -14.362 1.00 1.05 H new ATOM 0 HG3 PRO A 19 14.287 -5.382 -15.502 1.00 1.05 H new ATOM 0 HD2 PRO A 19 12.290 -3.579 -15.804 1.00 1.05 H new ATOM 0 HD3 PRO A 19 12.071 -5.253 -16.272 1.00 1.05 H new ATOM 290 N GLU A 20 11.942 -3.307 -12.240 1.00 0.72 N ATOM 291 CA GLU A 20 12.018 -2.330 -11.171 1.00 0.64 C ATOM 292 C GLU A 20 10.769 -2.414 -10.310 1.00 0.56 C ATOM 293 O GLU A 20 10.839 -2.804 -9.148 1.00 0.46 O ATOM 294 CB GLU A 20 12.178 -0.918 -11.740 1.00 0.65 C ATOM 295 CG GLU A 20 13.423 -0.745 -12.594 1.00 0.74 C ATOM 296 CD GLU A 20 14.704 -0.956 -11.809 1.00 1.61 C ATOM 297 OE1 GLU A 20 15.164 -2.115 -11.725 1.00 2.56 O ATOM 298 OE2 GLU A 20 15.244 0.036 -11.279 1.00 1.54 O ATOM 0 H GLU A 20 11.847 -2.906 -13.173 1.00 0.72 H new ATOM 0 HA GLU A 20 12.891 -2.549 -10.556 1.00 0.64 H new ATOM 0 HB2 GLU A 20 11.300 -0.675 -12.338 1.00 0.65 H new ATOM 0 HB3 GLU A 20 12.210 -0.205 -10.916 1.00 0.65 H new ATOM 0 HG2 GLU A 20 13.390 -1.450 -13.425 1.00 0.74 H new ATOM 0 HG3 GLU A 20 13.427 0.256 -13.026 1.00 0.74 H new ATOM 305 N ARG A 21 9.618 -2.080 -10.891 1.00 0.61 N ATOM 306 CA ARG A 21 8.365 -2.134 -10.140 1.00 0.55 C ATOM 307 C ARG A 21 8.049 -3.568 -9.756 1.00 0.49 C ATOM 308 O ARG A 21 7.449 -3.819 -8.712 1.00 0.40 O ATOM 309 CB ARG A 21 7.212 -1.504 -10.919 1.00 0.63 C ATOM 310 CG ARG A 21 6.986 -0.038 -10.571 1.00 0.78 C ATOM 311 CD ARG A 21 8.098 0.843 -11.119 1.00 1.54 C ATOM 312 NE ARG A 21 8.184 0.769 -12.575 1.00 2.01 N ATOM 313 CZ ARG A 21 8.739 1.712 -13.331 1.00 2.86 C ATOM 314 NH1 ARG A 21 9.254 2.798 -12.771 1.00 3.36 N ATOM 315 NH2 ARG A 21 8.779 1.568 -14.648 1.00 3.57 N ATOM 0 H ARG A 21 9.526 -1.775 -11.860 1.00 0.61 H new ATOM 0 HA ARG A 21 8.490 -1.549 -9.229 1.00 0.55 H new ATOM 0 HB2 ARG A 21 7.413 -1.591 -11.987 1.00 0.63 H new ATOM 0 HB3 ARG A 21 6.298 -2.064 -10.720 1.00 0.63 H new ATOM 0 HG2 ARG A 21 6.028 0.290 -10.975 1.00 0.78 H new ATOM 0 HG3 ARG A 21 6.930 0.076 -9.488 1.00 0.78 H new ATOM 0 HD2 ARG A 21 7.925 1.876 -10.818 1.00 1.54 H new ATOM 0 HD3 ARG A 21 9.050 0.539 -10.683 1.00 1.54 H new ATOM 0 HE ARG A 21 7.796 -0.053 -13.039 1.00 2.01 H new ATOM 0 HH11 ARG A 21 9.225 2.912 -11.758 1.00 3.36 H new ATOM 0 HH12 ARG A 21 9.679 3.519 -13.353 1.00 3.36 H new ATOM 0 HH21 ARG A 21 8.384 0.734 -15.082 1.00 3.57 H new ATOM 0 HH22 ARG A 21 9.205 2.291 -15.227 1.00 3.57 H new ATOM 329 N LYS A 22 8.447 -4.508 -10.605 1.00 0.56 N ATOM 330 CA LYS A 22 8.228 -5.913 -10.318 1.00 0.54 C ATOM 331 C LYS A 22 9.062 -6.302 -9.103 1.00 0.48 C ATOM 332 O LYS A 22 8.666 -7.159 -8.313 1.00 0.44 O ATOM 333 CB LYS A 22 8.568 -6.766 -11.545 1.00 0.68 C ATOM 334 CG LYS A 22 9.458 -7.964 -11.272 1.00 0.64 C ATOM 335 CD LYS A 22 9.960 -8.562 -12.573 1.00 0.72 C ATOM 336 CE LYS A 22 11.112 -9.526 -12.336 1.00 0.79 C ATOM 337 NZ LYS A 22 11.621 -10.110 -13.608 1.00 1.43 N ATOM 0 H LYS A 22 8.919 -4.321 -11.490 1.00 0.56 H new ATOM 0 HA LYS A 22 7.178 -6.092 -10.088 1.00 0.54 H new ATOM 0 HB2 LYS A 22 7.638 -7.118 -11.992 1.00 0.68 H new ATOM 0 HB3 LYS A 22 9.056 -6.132 -12.285 1.00 0.68 H new ATOM 0 HG2 LYS A 22 10.303 -7.663 -10.654 1.00 0.64 H new ATOM 0 HG3 LYS A 22 8.904 -8.715 -10.710 1.00 0.64 H new ATOM 0 HD2 LYS A 22 9.144 -9.084 -13.073 1.00 0.72 H new ATOM 0 HD3 LYS A 22 10.284 -7.763 -13.240 1.00 0.72 H new ATOM 0 HE2 LYS A 22 11.922 -9.004 -11.827 1.00 0.79 H new ATOM 0 HE3 LYS A 22 10.784 -10.328 -11.675 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 12.405 -10.761 -13.402 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 10.855 -10.630 -14.082 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 11.959 -9.347 -14.229 1.00 1.43 H new ATOM 351 N MET A 23 10.232 -5.674 -8.964 1.00 0.50 N ATOM 352 CA MET A 23 11.094 -5.931 -7.818 1.00 0.48 C ATOM 353 C MET A 23 10.468 -5.353 -6.562 1.00 0.39 C ATOM 354 O MET A 23 10.402 -6.017 -5.537 1.00 0.38 O ATOM 355 CB MET A 23 12.485 -5.324 -8.009 1.00 0.54 C ATOM 356 CG MET A 23 13.334 -5.349 -6.742 1.00 0.56 C ATOM 357 SD MET A 23 14.903 -4.482 -6.942 1.00 1.25 S ATOM 358 CE MET A 23 15.668 -5.455 -8.237 1.00 1.23 C ATOM 0 H MET A 23 10.598 -4.990 -9.627 1.00 0.50 H new ATOM 0 HA MET A 23 11.201 -7.012 -7.723 1.00 0.48 H new ATOM 0 HB2 MET A 23 13.006 -5.867 -8.798 1.00 0.54 H new ATOM 0 HB3 MET A 23 12.381 -4.293 -8.348 1.00 0.54 H new ATOM 0 HG2 MET A 23 12.774 -4.895 -5.925 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.528 -6.384 -6.459 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.737 -5.246 -8.266 1.00 1.23 H new ATOM 0 HE2 MET A 23 15.511 -6.515 -8.037 1.00 1.23 H new ATOM 0 HE3 MET A 23 15.222 -5.197 -9.198 1.00 1.23 H new ATOM 368 N TRP A 24 10.015 -4.102 -6.656 1.00 0.37 N ATOM 369 CA TRP A 24 9.396 -3.429 -5.523 1.00 0.31 C ATOM 370 C TRP A 24 8.124 -4.155 -5.099 1.00 0.25 C ATOM 371 O TRP A 24 7.804 -4.221 -3.911 1.00 0.29 O ATOM 372 CB TRP A 24 9.092 -1.964 -5.856 1.00 0.34 C ATOM 373 CG TRP A 24 10.309 -1.086 -5.833 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.197 -0.896 -6.847 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.771 -0.280 -4.742 1.00 0.95 C ATOM 376 NE1 TRP A 24 12.180 -0.020 -6.462 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.941 0.374 -5.173 1.00 1.01 C ATOM 378 CE3 TRP A 24 10.308 -0.045 -3.446 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.653 1.245 -4.355 1.00 1.49 C ATOM 380 CZ3 TRP A 24 11.016 0.822 -2.634 1.00 2.34 C ATOM 381 CH2 TRP A 24 12.177 1.458 -3.091 1.00 2.12 C ATOM 0 H TRP A 24 10.067 -3.539 -7.505 1.00 0.37 H new ATOM 0 HA TRP A 24 10.100 -3.449 -4.691 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.632 -1.911 -6.843 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.362 -1.580 -5.143 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.136 -1.368 -7.817 1.00 1.02 H new ATOM 0 HE1 TRP A 24 12.961 0.287 -7.041 1.00 1.14 H new ATOM 0 HE3 TRP A 24 9.414 -0.531 -3.085 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 13.549 1.735 -4.705 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 10.667 1.012 -1.630 1.00 2.34 H new ATOM 0 HH2 TRP A 24 12.707 2.130 -2.432 1.00 2.12 H new ATOM 392 N VAL A 25 7.400 -4.699 -6.075 1.00 0.21 N ATOM 393 CA VAL A 25 6.172 -5.428 -5.787 1.00 0.20 C ATOM 394 C VAL A 25 6.504 -6.770 -5.119 1.00 0.22 C ATOM 395 O VAL A 25 5.939 -7.117 -4.075 1.00 0.22 O ATOM 396 CB VAL A 25 5.300 -5.635 -7.065 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.534 -6.996 -7.702 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.828 -5.446 -6.735 1.00 0.30 C ATOM 0 H VAL A 25 7.642 -4.648 -7.065 1.00 0.21 H new ATOM 0 HA VAL A 25 5.578 -4.828 -5.098 1.00 0.20 H new ATOM 0 HB VAL A 25 5.602 -4.882 -7.793 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.907 -7.096 -8.588 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.582 -7.089 -7.987 1.00 0.32 H new ATOM 0 HG13 VAL A 25 5.282 -7.780 -6.988 1.00 0.32 H new ATOM 0 HG21 VAL A 25 3.231 -5.593 -7.635 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.529 -6.172 -5.979 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.667 -4.437 -6.354 1.00 0.30 H new ATOM 408 N ASP A 26 7.446 -7.507 -5.710 1.00 0.28 N ATOM 409 CA ASP A 26 7.865 -8.792 -5.162 1.00 0.35 C ATOM 410 C ASP A 26 8.519 -8.568 -3.809 1.00 0.35 C ATOM 411 O ASP A 26 8.447 -9.410 -2.913 1.00 0.38 O ATOM 412 CB ASP A 26 8.839 -9.491 -6.113 1.00 0.45 C ATOM 413 CG ASP A 26 9.294 -10.838 -5.586 1.00 0.53 C ATOM 414 OD1 ASP A 26 10.290 -10.876 -4.833 1.00 0.58 O ATOM 415 OD2 ASP A 26 8.655 -11.855 -5.927 1.00 0.60 O ATOM 0 H ASP A 26 7.930 -7.235 -6.565 1.00 0.28 H new ATOM 0 HA ASP A 26 6.991 -9.433 -5.042 1.00 0.35 H new ATOM 0 HB2 ASP A 26 8.361 -9.626 -7.083 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.709 -8.853 -6.272 1.00 0.45 H new ATOM 420 N ARG A 27 9.159 -7.412 -3.681 1.00 0.36 N ATOM 421 CA ARG A 27 9.820 -7.021 -2.448 1.00 0.42 C ATOM 422 C ARG A 27 8.763 -6.795 -1.372 1.00 0.34 C ATOM 423 O ARG A 27 8.922 -7.218 -0.224 1.00 0.35 O ATOM 424 CB ARG A 27 10.664 -5.765 -2.705 1.00 0.56 C ATOM 425 CG ARG A 27 10.719 -4.774 -1.561 1.00 0.99 C ATOM 426 CD ARG A 27 11.425 -5.354 -0.344 1.00 1.61 C ATOM 427 NE ARG A 27 11.435 -4.424 0.781 1.00 2.45 N ATOM 428 CZ ARG A 27 12.350 -4.444 1.747 1.00 3.19 C ATOM 429 NH1 ARG A 27 13.328 -5.340 1.721 1.00 3.22 N ATOM 430 NH2 ARG A 27 12.288 -3.565 2.739 1.00 4.08 N ATOM 0 H ARG A 27 9.233 -6.722 -4.429 1.00 0.36 H new ATOM 0 HA ARG A 27 10.492 -7.805 -2.099 1.00 0.42 H new ATOM 0 HB2 ARG A 27 11.681 -6.074 -2.945 1.00 0.56 H new ATOM 0 HB3 ARG A 27 10.270 -5.257 -3.585 1.00 0.56 H new ATOM 0 HG2 ARG A 27 11.237 -3.872 -1.886 1.00 0.99 H new ATOM 0 HG3 ARG A 27 9.706 -4.479 -1.287 1.00 0.99 H new ATOM 0 HD2 ARG A 27 10.931 -6.278 -0.045 1.00 1.61 H new ATOM 0 HD3 ARG A 27 12.450 -5.612 -0.609 1.00 1.61 H new ATOM 0 HE ARG A 27 10.699 -3.719 0.829 1.00 2.45 H new ATOM 0 HH11 ARG A 27 13.380 -6.016 0.959 1.00 3.22 H new ATOM 0 HH12 ARG A 27 14.028 -5.353 2.463 1.00 3.22 H new ATOM 0 HH21 ARG A 27 11.539 -2.873 2.761 1.00 4.08 H new ATOM 0 HH22 ARG A 27 12.990 -3.581 3.479 1.00 4.08 H new ATOM 444 N TYR A 28 7.676 -6.132 -1.761 1.00 0.31 N ATOM 445 CA TYR A 28 6.566 -5.897 -0.852 1.00 0.35 C ATOM 446 C TYR A 28 6.082 -7.246 -0.337 1.00 0.33 C ATOM 447 O TYR A 28 5.828 -7.427 0.858 1.00 0.38 O ATOM 448 CB TYR A 28 5.444 -5.144 -1.586 1.00 0.41 C ATOM 449 CG TYR A 28 4.107 -5.093 -0.864 1.00 0.72 C ATOM 450 CD1 TYR A 28 4.059 -5.130 0.524 1.00 0.98 C ATOM 451 CD2 TYR A 28 2.900 -5.020 -1.556 1.00 1.47 C ATOM 452 CE1 TYR A 28 2.855 -5.093 1.201 1.00 1.22 C ATOM 453 CE2 TYR A 28 1.693 -4.984 -0.886 1.00 1.82 C ATOM 454 CZ TYR A 28 1.641 -4.979 0.423 1.00 1.48 C ATOM 455 OH TYR A 28 0.474 -4.985 1.162 1.00 1.87 O ATOM 0 H TYR A 28 7.544 -5.751 -2.698 1.00 0.31 H new ATOM 0 HA TYR A 28 6.879 -5.282 -0.009 1.00 0.35 H new ATOM 0 HB2 TYR A 28 5.776 -4.122 -1.770 1.00 0.41 H new ATOM 0 HB3 TYR A 28 5.294 -5.611 -2.559 1.00 0.41 H new ATOM 0 HD1 TYR A 28 4.980 -5.189 1.085 1.00 0.98 H new ATOM 0 HD2 TYR A 28 2.908 -4.991 -2.636 1.00 1.47 H new ATOM 0 HE1 TYR A 28 2.821 -5.148 2.279 1.00 1.22 H new ATOM 0 HE2 TYR A 28 0.774 -4.959 -1.452 1.00 1.82 H new ATOM 0 HH TYR A 28 0.350 -4.110 1.585 1.00 1.87 H new ATOM 465 N LEU A 29 5.974 -8.200 -1.258 1.00 0.34 N ATOM 466 CA LEU A 29 5.561 -9.548 -0.902 1.00 0.45 C ATOM 467 C LEU A 29 6.536 -10.143 0.102 1.00 0.41 C ATOM 468 O LEU A 29 6.128 -10.756 1.085 1.00 0.44 O ATOM 469 CB LEU A 29 5.471 -10.429 -2.150 1.00 0.59 C ATOM 470 CG LEU A 29 4.121 -10.384 -2.869 1.00 0.74 C ATOM 471 CD1 LEU A 29 3.051 -11.057 -2.030 1.00 0.97 C ATOM 472 CD2 LEU A 29 3.726 -8.949 -3.176 1.00 1.33 C ATOM 0 H LEU A 29 6.166 -8.063 -2.250 1.00 0.34 H new ATOM 0 HA LEU A 29 4.572 -9.502 -0.445 1.00 0.45 H new ATOM 0 HB2 LEU A 29 6.250 -10.125 -2.849 1.00 0.59 H new ATOM 0 HB3 LEU A 29 5.682 -11.460 -1.866 1.00 0.59 H new ATOM 0 HG LEU A 29 4.216 -10.925 -3.811 1.00 0.74 H new ATOM 0 HD11 LEU A 29 2.097 -11.016 -2.556 1.00 0.97 H new ATOM 0 HD12 LEU A 29 3.326 -12.098 -1.857 1.00 0.97 H new ATOM 0 HD13 LEU A 29 2.961 -10.541 -1.074 1.00 0.97 H new ATOM 0 HD21 LEU A 29 2.763 -8.938 -3.687 1.00 1.33 H new ATOM 0 HD22 LEU A 29 3.649 -8.386 -2.246 1.00 1.33 H new ATOM 0 HD23 LEU A 29 4.482 -8.492 -3.815 1.00 1.33 H new ATOM 484 N ALA A 30 7.830 -9.940 -0.138 1.00 0.41 N ATOM 485 CA ALA A 30 8.850 -10.446 0.767 1.00 0.48 C ATOM 486 C ALA A 30 8.649 -9.840 2.147 1.00 0.38 C ATOM 487 O ALA A 30 8.938 -10.469 3.164 1.00 0.42 O ATOM 488 CB ALA A 30 10.242 -10.135 0.238 1.00 0.63 C ATOM 0 H ALA A 30 8.191 -9.432 -0.946 1.00 0.41 H new ATOM 0 HA ALA A 30 8.757 -11.530 0.838 1.00 0.48 H new ATOM 0 HB1 ALA A 30 10.989 -10.522 0.930 1.00 0.63 H new ATOM 0 HB2 ALA A 30 10.374 -10.603 -0.737 1.00 0.63 H new ATOM 0 HB3 ALA A 30 10.362 -9.056 0.141 1.00 0.63 H new ATOM 494 N PHE A 31 8.152 -8.608 2.165 1.00 0.33 N ATOM 495 CA PHE A 31 7.873 -7.912 3.413 1.00 0.37 C ATOM 496 C PHE A 31 6.714 -8.587 4.134 1.00 0.34 C ATOM 497 O PHE A 31 6.790 -8.847 5.317 1.00 0.38 O ATOM 498 CB PHE A 31 7.541 -6.443 3.134 1.00 0.48 C ATOM 499 CG PHE A 31 7.576 -5.564 4.352 1.00 0.65 C ATOM 500 CD1 PHE A 31 6.461 -5.441 5.164 1.00 0.82 C ATOM 501 CD2 PHE A 31 8.725 -4.865 4.687 1.00 0.78 C ATOM 502 CE1 PHE A 31 6.489 -4.639 6.288 1.00 0.99 C ATOM 503 CE2 PHE A 31 8.760 -4.060 5.811 1.00 0.95 C ATOM 504 CZ PHE A 31 7.644 -3.929 6.600 1.00 1.02 C ATOM 0 H PHE A 31 7.934 -8.071 1.326 1.00 0.33 H new ATOM 0 HA PHE A 31 8.757 -7.954 4.049 1.00 0.37 H new ATOM 0 HB2 PHE A 31 8.247 -6.055 2.399 1.00 0.48 H new ATOM 0 HB3 PHE A 31 6.549 -6.385 2.685 1.00 0.48 H new ATOM 0 HD1 PHE A 31 5.558 -5.979 4.915 1.00 0.82 H new ATOM 0 HD2 PHE A 31 9.603 -4.950 4.063 1.00 0.78 H new ATOM 0 HE1 PHE A 31 5.618 -4.563 6.922 1.00 0.99 H new ATOM 0 HE2 PHE A 31 9.667 -3.533 6.069 1.00 0.95 H new ATOM 0 HZ PHE A 31 7.663 -3.277 7.460 1.00 1.02 H new ATOM 514 N THR A 32 5.652 -8.910 3.416 1.00 0.36 N ATOM 515 CA THR A 32 4.508 -9.554 4.055 1.00 0.46 C ATOM 516 C THR A 32 4.889 -10.920 4.629 1.00 0.43 C ATOM 517 O THR A 32 4.480 -11.269 5.732 1.00 0.48 O ATOM 518 CB THR A 32 3.327 -9.724 3.078 1.00 0.57 C ATOM 519 OG1 THR A 32 3.687 -10.624 2.022 1.00 0.56 O ATOM 520 CG2 THR A 32 2.915 -8.383 2.485 1.00 0.60 C ATOM 0 H THR A 32 5.554 -8.744 2.414 1.00 0.36 H new ATOM 0 HA THR A 32 4.197 -8.898 4.868 1.00 0.46 H new ATOM 0 HB THR A 32 2.484 -10.134 3.634 1.00 0.57 H new ATOM 0 HG1 THR A 32 4.632 -10.499 1.793 1.00 0.56 H new ATOM 0 HG21 THR A 32 2.080 -8.529 1.799 1.00 0.60 H new ATOM 0 HG22 THR A 32 2.612 -7.708 3.286 1.00 0.60 H new ATOM 0 HG23 THR A 32 3.757 -7.950 1.945 1.00 0.60 H new ATOM 528 N GLU A 33 5.670 -11.689 3.879 1.00 0.43 N ATOM 529 CA GLU A 33 6.096 -13.017 4.329 1.00 0.50 C ATOM 530 C GLU A 33 7.133 -12.941 5.448 1.00 0.45 C ATOM 531 O GLU A 33 7.146 -13.776 6.352 1.00 0.46 O ATOM 532 CB GLU A 33 6.661 -13.804 3.151 1.00 0.64 C ATOM 533 CG GLU A 33 5.845 -13.625 1.889 1.00 0.47 C ATOM 534 CD GLU A 33 6.572 -14.100 0.647 1.00 1.01 C ATOM 535 OE1 GLU A 33 6.491 -15.306 0.336 1.00 1.10 O ATOM 536 OE2 GLU A 33 7.224 -13.265 -0.014 1.00 1.45 O ATOM 0 H GLU A 33 6.022 -11.421 2.960 1.00 0.43 H new ATOM 0 HA GLU A 33 5.219 -13.526 4.730 1.00 0.50 H new ATOM 0 HB2 GLU A 33 7.687 -13.486 2.965 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.697 -14.862 3.409 1.00 0.64 H new ATOM 0 HG2 GLU A 33 4.908 -14.172 1.987 1.00 0.47 H new ATOM 0 HG3 GLU A 33 5.589 -12.572 1.774 1.00 0.47 H new ATOM 543 N GLU A 34 8.002 -11.936 5.379 1.00 0.45 N ATOM 544 CA GLU A 34 9.061 -11.760 6.373 1.00 0.52 C ATOM 545 C GLU A 34 8.494 -11.631 7.784 1.00 0.49 C ATOM 546 O GLU A 34 9.043 -12.188 8.736 1.00 0.55 O ATOM 547 CB GLU A 34 9.895 -10.522 6.038 1.00 0.61 C ATOM 548 CG GLU A 34 11.161 -10.396 6.869 1.00 0.73 C ATOM 549 CD GLU A 34 12.111 -11.560 6.666 1.00 1.37 C ATOM 550 OE1 GLU A 34 12.922 -11.505 5.719 1.00 1.28 O ATOM 551 OE2 GLU A 34 12.042 -12.526 7.454 1.00 2.24 O ATOM 0 H GLU A 34 7.995 -11.229 4.644 1.00 0.45 H new ATOM 0 HA GLU A 34 9.693 -12.648 6.343 1.00 0.52 H new ATOM 0 HB2 GLU A 34 10.165 -10.551 4.982 1.00 0.61 H new ATOM 0 HB3 GLU A 34 9.284 -9.632 6.186 1.00 0.61 H new ATOM 0 HG2 GLU A 34 11.670 -9.467 6.610 1.00 0.73 H new ATOM 0 HG3 GLU A 34 10.894 -10.330 7.924 1.00 0.73 H new ATOM 558 N LYS A 35 7.396 -10.898 7.912 1.00 0.47 N ATOM 559 CA LYS A 35 6.762 -10.685 9.208 1.00 0.53 C ATOM 560 C LYS A 35 5.489 -11.503 9.332 1.00 0.45 C ATOM 561 O LYS A 35 4.728 -11.332 10.287 1.00 0.55 O ATOM 562 CB LYS A 35 6.426 -9.203 9.396 1.00 0.74 C ATOM 563 CG LYS A 35 7.583 -8.276 9.075 1.00 0.97 C ATOM 564 CD LYS A 35 7.603 -7.931 7.610 1.00 1.26 C ATOM 565 CE LYS A 35 8.841 -7.130 7.243 1.00 2.35 C ATOM 566 NZ LYS A 35 10.062 -7.660 7.906 1.00 3.30 N ATOM 0 H LYS A 35 6.924 -10.439 7.133 1.00 0.47 H new ATOM 0 HA LYS A 35 7.464 -11.004 9.979 1.00 0.53 H new ATOM 0 HB2 LYS A 35 5.578 -8.947 8.760 1.00 0.74 H new ATOM 0 HB3 LYS A 35 6.113 -9.037 10.427 1.00 0.74 H new ATOM 0 HG2 LYS A 35 7.499 -7.364 9.666 1.00 0.97 H new ATOM 0 HG3 LYS A 35 8.523 -8.751 9.354 1.00 0.97 H new ATOM 0 HD2 LYS A 35 7.572 -8.846 7.019 1.00 1.26 H new ATOM 0 HD3 LYS A 35 6.710 -7.359 7.358 1.00 1.26 H new ATOM 0 HE2 LYS A 35 8.978 -7.149 6.162 1.00 2.35 H new ATOM 0 HE3 LYS A 35 8.697 -6.088 7.528 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 10.871 -7.584 7.256 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 10.256 -7.110 8.767 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 9.914 -8.658 8.159 1.00 3.30 H new ATOM 580 N ALA A 36 5.255 -12.390 8.371 1.00 0.43 N ATOM 581 CA ALA A 36 4.044 -13.193 8.375 1.00 0.63 C ATOM 582 C ALA A 36 2.845 -12.262 8.408 1.00 0.78 C ATOM 583 O ALA A 36 1.766 -12.616 8.887 1.00 0.99 O ATOM 584 CB ALA A 36 4.029 -14.143 9.565 1.00 0.74 C ATOM 0 H ALA A 36 5.883 -12.568 7.587 1.00 0.43 H new ATOM 0 HA ALA A 36 4.006 -13.804 7.473 1.00 0.63 H new ATOM 0 HB1 ALA A 36 3.113 -14.734 9.547 1.00 0.74 H new ATOM 0 HB2 ALA A 36 4.891 -14.808 9.511 1.00 0.74 H new ATOM 0 HB3 ALA A 36 4.072 -13.568 10.490 1.00 0.74 H new ATOM 590 N MET A 37 3.062 -11.058 7.879 1.00 0.79 N ATOM 591 CA MET A 37 2.041 -10.026 7.836 1.00 1.04 C ATOM 592 C MET A 37 0.768 -10.546 7.178 1.00 1.22 C ATOM 593 O MET A 37 -0.329 -10.056 7.446 1.00 1.43 O ATOM 594 CB MET A 37 2.561 -8.811 7.071 1.00 1.08 C ATOM 595 CG MET A 37 2.100 -7.486 7.653 1.00 1.38 C ATOM 596 SD MET A 37 2.463 -6.087 6.575 1.00 2.05 S ATOM 597 CE MET A 37 1.353 -6.416 5.210 1.00 1.97 C ATOM 0 H MET A 37 3.953 -10.776 7.470 1.00 0.79 H new ATOM 0 HA MET A 37 1.805 -9.736 8.860 1.00 1.04 H new ATOM 0 HB2 MET A 37 3.651 -8.836 7.063 1.00 1.08 H new ATOM 0 HB3 MET A 37 2.233 -8.877 6.034 1.00 1.08 H new ATOM 0 HG2 MET A 37 1.026 -7.529 7.837 1.00 1.38 H new ATOM 0 HG3 MET A 37 2.583 -7.330 8.618 1.00 1.38 H new ATOM 0 HE1 MET A 37 1.721 -5.917 4.314 1.00 1.97 H new ATOM 0 HE2 MET A 37 1.303 -7.490 5.032 1.00 1.97 H new ATOM 0 HE3 MET A 37 0.358 -6.042 5.452 1.00 1.97 H new ATOM 607 N GLY A 38 0.928 -11.546 6.317 1.00 1.22 N ATOM 608 CA GLY A 38 -0.208 -12.126 5.625 1.00 1.49 C ATOM 609 C GLY A 38 0.216 -13.090 4.535 1.00 1.30 C ATOM 610 O GLY A 38 0.356 -12.701 3.375 1.00 1.95 O ATOM 0 H GLY A 38 1.828 -11.966 6.086 1.00 1.22 H new ATOM 0 HA2 GLY A 38 -0.841 -12.648 6.343 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -0.811 -11.329 5.189 1.00 1.49 H new ATOM 614 N MET A 39 0.421 -14.351 4.907 1.00 1.05 N ATOM 615 CA MET A 39 0.833 -15.376 3.954 1.00 0.97 C ATOM 616 C MET A 39 -0.175 -15.486 2.815 1.00 0.81 C ATOM 617 O MET A 39 0.141 -15.988 1.736 1.00 0.93 O ATOM 618 CB MET A 39 0.984 -16.728 4.654 1.00 1.47 C ATOM 619 CG MET A 39 2.168 -16.794 5.608 1.00 1.62 C ATOM 620 SD MET A 39 1.982 -15.713 7.039 1.00 2.14 S ATOM 621 CE MET A 39 0.524 -16.414 7.809 1.00 2.33 C ATOM 0 H MET A 39 0.308 -14.687 5.863 1.00 1.05 H new ATOM 0 HA MET A 39 1.798 -15.087 3.538 1.00 0.97 H new ATOM 0 HB2 MET A 39 0.070 -16.945 5.207 1.00 1.47 H new ATOM 0 HB3 MET A 39 1.092 -17.508 3.900 1.00 1.47 H new ATOM 0 HG2 MET A 39 2.295 -17.821 5.950 1.00 1.62 H new ATOM 0 HG3 MET A 39 3.076 -16.522 5.070 1.00 1.62 H new ATOM 0 HE1 MET A 39 0.659 -16.437 8.890 1.00 2.33 H new ATOM 0 HE2 MET A 39 -0.346 -15.804 7.565 1.00 2.33 H new ATOM 0 HE3 MET A 39 0.370 -17.428 7.441 1.00 2.33 H new ATOM 631 N THR A 40 -1.390 -15.011 3.069 1.00 0.66 N ATOM 632 CA THR A 40 -2.452 -15.040 2.073 1.00 0.60 C ATOM 633 C THR A 40 -2.570 -13.679 1.389 1.00 0.51 C ATOM 634 O THR A 40 -1.639 -12.879 1.431 1.00 0.46 O ATOM 635 CB THR A 40 -3.800 -15.427 2.716 1.00 0.70 C ATOM 636 OG1 THR A 40 -4.781 -15.676 1.702 1.00 1.26 O ATOM 637 CG2 THR A 40 -4.294 -14.330 3.650 1.00 0.85 C ATOM 0 H THR A 40 -1.663 -14.600 3.961 1.00 0.66 H new ATOM 0 HA THR A 40 -2.199 -15.794 1.327 1.00 0.60 H new ATOM 0 HB THR A 40 -3.646 -16.335 3.299 1.00 0.70 H new ATOM 0 HG1 THR A 40 -5.631 -15.922 2.123 1.00 1.26 H new ATOM 0 HG21 THR A 40 -5.246 -14.628 4.090 1.00 0.85 H new ATOM 0 HG22 THR A 40 -3.562 -14.170 4.442 1.00 0.85 H new ATOM 0 HG23 THR A 40 -4.428 -13.406 3.087 1.00 0.85 H new ATOM 645 N ASN A 41 -3.725 -13.395 0.801 1.00 0.52 N ATOM 646 CA ASN A 41 -3.922 -12.128 0.110 1.00 0.46 C ATOM 647 C ASN A 41 -4.529 -11.097 1.052 1.00 0.49 C ATOM 648 O ASN A 41 -5.504 -11.372 1.751 1.00 0.58 O ATOM 649 CB ASN A 41 -4.845 -12.314 -1.095 1.00 0.49 C ATOM 650 CG ASN A 41 -5.727 -13.540 -0.967 1.00 1.34 C ATOM 651 OD1 ASN A 41 -6.852 -13.460 -0.476 1.00 2.35 O ATOM 652 ND2 ASN A 41 -5.216 -14.686 -1.402 1.00 1.61 N ATOM 0 H ASN A 41 -4.532 -14.018 0.788 1.00 0.52 H new ATOM 0 HA ASN A 41 -2.949 -11.775 -0.232 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -5.472 -11.430 -1.208 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.243 -12.396 -2.000 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -5.761 -15.545 -1.336 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -4.278 -14.707 -1.803 1.00 1.61 H new ATOM 659 N LEU A 42 -3.940 -9.910 1.059 1.00 0.44 N ATOM 660 CA LEU A 42 -4.404 -8.824 1.909 1.00 0.52 C ATOM 661 C LEU A 42 -4.551 -7.526 1.105 1.00 0.49 C ATOM 662 O LEU A 42 -5.619 -6.914 1.108 1.00 0.60 O ATOM 663 CB LEU A 42 -3.453 -8.645 3.102 1.00 0.57 C ATOM 664 CG LEU A 42 -3.728 -7.432 3.993 1.00 1.60 C ATOM 665 CD1 LEU A 42 -3.316 -7.725 5.427 1.00 2.08 C ATOM 666 CD2 LEU A 42 -2.984 -6.212 3.470 1.00 2.15 C ATOM 0 H LEU A 42 -3.134 -9.674 0.481 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.390 -9.077 2.298 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -3.499 -9.543 3.718 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.434 -8.571 2.723 1.00 0.57 H new ATOM 0 HG LEU A 42 -4.798 -7.223 3.974 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -3.518 -6.853 6.049 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -3.883 -8.577 5.802 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -2.251 -7.956 5.460 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -3.189 -5.357 4.114 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -1.913 -6.414 3.465 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -3.316 -5.990 2.456 1.00 2.15 H new ATOM 678 N PRO A 43 -3.480 -7.081 0.410 1.00 0.38 N ATOM 679 CA PRO A 43 -3.527 -5.864 -0.408 1.00 0.40 C ATOM 680 C PRO A 43 -4.309 -6.062 -1.710 1.00 0.37 C ATOM 681 O PRO A 43 -3.966 -5.479 -2.735 1.00 0.35 O ATOM 682 CB PRO A 43 -2.056 -5.587 -0.730 1.00 0.40 C ATOM 683 CG PRO A 43 -1.362 -6.898 -0.591 1.00 0.32 C ATOM 684 CD PRO A 43 -2.146 -7.710 0.393 1.00 0.34 C ATOM 0 HA PRO A 43 -4.030 -5.052 0.117 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -1.944 -5.189 -1.738 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.638 -4.848 -0.047 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -1.306 -7.408 -1.553 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.338 -6.757 -0.245 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -2.204 -8.755 0.089 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.685 -7.690 1.381 1.00 0.34 H new ATOM 692 N ALA A 44 -5.374 -6.862 -1.661 1.00 0.42 N ATOM 693 CA ALA A 44 -6.174 -7.135 -2.853 1.00 0.42 C ATOM 694 C ALA A 44 -7.536 -6.447 -2.786 1.00 0.47 C ATOM 695 O ALA A 44 -8.141 -6.348 -1.719 1.00 0.59 O ATOM 696 CB ALA A 44 -6.352 -8.636 -3.026 1.00 0.52 C ATOM 0 H ALA A 44 -5.700 -7.329 -0.815 1.00 0.42 H new ATOM 0 HA ALA A 44 -5.641 -6.732 -3.714 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -6.949 -8.831 -3.917 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.375 -9.108 -3.133 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -6.859 -9.045 -2.152 1.00 0.52 H new ATOM 702 N VAL A 45 -8.012 -5.975 -3.940 1.00 0.42 N ATOM 703 CA VAL A 45 -9.303 -5.299 -4.014 1.00 0.47 C ATOM 704 C VAL A 45 -10.306 -6.115 -4.829 1.00 0.53 C ATOM 705 O VAL A 45 -9.917 -6.896 -5.696 1.00 0.55 O ATOM 706 CB VAL A 45 -9.177 -3.870 -4.595 1.00 0.41 C ATOM 707 CG1 VAL A 45 -7.965 -3.165 -4.004 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.104 -3.876 -6.120 1.00 0.34 C ATOM 0 H VAL A 45 -7.523 -6.049 -4.832 1.00 0.42 H new ATOM 0 HA VAL A 45 -9.672 -5.211 -2.992 1.00 0.47 H new ATOM 0 HB VAL A 45 -10.078 -3.322 -4.318 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -7.889 -2.161 -4.422 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -8.074 -3.100 -2.921 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -7.063 -3.728 -4.245 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -9.016 -2.852 -6.484 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.235 -4.451 -6.440 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -10.009 -4.329 -6.526 1.00 0.34 H new ATOM 718 N GLY A 46 -11.590 -5.925 -4.523 1.00 0.64 N ATOM 719 CA GLY A 46 -12.673 -6.638 -5.196 1.00 0.75 C ATOM 720 C GLY A 46 -12.309 -7.240 -6.547 1.00 0.74 C ATOM 721 O GLY A 46 -11.953 -8.416 -6.629 1.00 0.92 O ATOM 0 H GLY A 46 -11.906 -5.274 -3.804 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -13.023 -7.437 -4.542 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.508 -5.951 -5.335 1.00 0.75 H new ATOM 725 N ARG A 47 -12.404 -6.436 -7.604 1.00 0.63 N ATOM 726 CA ARG A 47 -12.113 -6.904 -8.961 1.00 0.64 C ATOM 727 C ARG A 47 -10.692 -7.453 -9.104 1.00 0.67 C ATOM 728 O ARG A 47 -10.434 -8.616 -8.794 1.00 1.20 O ATOM 729 CB ARG A 47 -12.338 -5.782 -9.973 1.00 0.63 C ATOM 730 CG ARG A 47 -13.802 -5.535 -10.285 1.00 0.39 C ATOM 731 CD ARG A 47 -13.974 -4.974 -11.685 1.00 1.19 C ATOM 732 NE ARG A 47 -15.380 -4.780 -12.033 1.00 1.66 N ATOM 733 CZ ARG A 47 -15.806 -4.543 -13.271 1.00 2.40 C ATOM 734 NH1 ARG A 47 -14.941 -4.471 -14.273 1.00 3.06 N ATOM 735 NH2 ARG A 47 -17.101 -4.378 -13.507 1.00 2.81 N ATOM 0 H ARG A 47 -12.680 -5.456 -7.549 1.00 0.63 H new ATOM 0 HA ARG A 47 -12.801 -7.725 -9.162 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -11.896 -4.863 -9.589 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.814 -6.026 -10.897 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -14.359 -6.467 -10.192 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -14.220 -4.840 -9.557 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -13.448 -4.022 -11.760 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -13.513 -5.651 -12.405 1.00 1.19 H new ATOM 0 HE ARG A 47 -16.073 -4.829 -11.286 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -13.944 -4.598 -14.096 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -15.272 -4.289 -15.220 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -17.770 -4.433 -12.739 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -17.427 -4.196 -14.456 1.00 2.81 H new ATOM 749 N LYS A 48 -9.778 -6.612 -9.584 1.00 0.69 N ATOM 750 CA LYS A 48 -8.392 -7.020 -9.795 1.00 0.62 C ATOM 751 C LYS A 48 -7.631 -7.123 -8.473 1.00 0.51 C ATOM 752 O LYS A 48 -8.051 -6.551 -7.469 1.00 0.48 O ATOM 753 CB LYS A 48 -7.696 -6.030 -10.732 1.00 0.67 C ATOM 754 CG LYS A 48 -8.356 -5.915 -12.097 1.00 0.84 C ATOM 755 CD LYS A 48 -8.241 -7.210 -12.886 1.00 1.04 C ATOM 756 CE LYS A 48 -9.009 -7.135 -14.197 1.00 1.00 C ATOM 757 NZ LYS A 48 -8.517 -6.033 -15.068 1.00 1.56 N ATOM 0 H LYS A 48 -9.973 -5.643 -9.834 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.396 -8.009 -10.252 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -7.681 -5.047 -10.261 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.658 -6.336 -10.864 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -9.408 -5.656 -11.973 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -7.893 -5.104 -12.659 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -7.191 -7.421 -13.090 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -8.622 -8.037 -12.287 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -8.917 -8.084 -14.726 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -10.069 -6.987 -13.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -8.958 -6.110 -16.007 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -8.765 -5.117 -14.643 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -7.484 -6.101 -15.164 1.00 1.56 H new ATOM 771 N PRO A 49 -6.505 -7.871 -8.461 1.00 0.49 N ATOM 772 CA PRO A 49 -5.672 -8.060 -7.258 1.00 0.44 C ATOM 773 C PRO A 49 -5.197 -6.742 -6.637 1.00 0.43 C ATOM 774 O PRO A 49 -5.979 -5.811 -6.451 1.00 0.63 O ATOM 775 CB PRO A 49 -4.480 -8.867 -7.780 1.00 0.52 C ATOM 776 CG PRO A 49 -5.013 -9.583 -8.965 1.00 0.59 C ATOM 777 CD PRO A 49 -5.964 -8.620 -9.613 1.00 0.58 C ATOM 0 HA PRO A 49 -6.229 -8.550 -6.460 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -3.647 -8.217 -8.049 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -4.111 -9.563 -7.027 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -4.212 -9.865 -9.648 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -5.521 -10.502 -8.674 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -5.456 -7.964 -10.320 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -6.749 -9.136 -10.165 1.00 0.58 H new ATOM 785 N LEU A 50 -3.909 -6.674 -6.309 1.00 0.51 N ATOM 786 CA LEU A 50 -3.341 -5.477 -5.700 1.00 0.55 C ATOM 787 C LEU A 50 -3.317 -4.316 -6.687 1.00 0.67 C ATOM 788 O LEU A 50 -3.715 -3.200 -6.352 1.00 1.57 O ATOM 789 CB LEU A 50 -1.909 -5.727 -5.201 1.00 0.64 C ATOM 790 CG LEU A 50 -1.707 -6.878 -4.209 1.00 0.45 C ATOM 791 CD1 LEU A 50 -1.973 -8.227 -4.860 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.293 -6.830 -3.655 1.00 0.81 C ATOM 0 H LEU A 50 -3.242 -7.432 -6.455 1.00 0.51 H new ATOM 0 HA LEU A 50 -3.979 -5.223 -4.853 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.276 -5.913 -6.069 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -1.549 -4.810 -4.734 1.00 0.64 H new ATOM 0 HG LEU A 50 -2.422 -6.759 -3.395 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -1.820 -9.020 -4.128 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -3.001 -8.260 -5.222 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.289 -8.369 -5.697 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.151 -7.649 -2.950 1.00 0.81 H new ATOM 0 HD22 LEU A 50 0.422 -6.927 -4.472 1.00 0.81 H new ATOM 0 HD23 LEU A 50 -0.134 -5.880 -3.145 1.00 0.81 H new ATOM 804 N ASP A 51 -2.848 -4.589 -7.904 1.00 0.50 N ATOM 805 CA ASP A 51 -2.748 -3.557 -8.930 1.00 0.46 C ATOM 806 C ASP A 51 -1.868 -2.425 -8.424 1.00 0.42 C ATOM 807 O ASP A 51 -2.165 -1.249 -8.630 1.00 0.41 O ATOM 808 CB ASP A 51 -4.133 -3.024 -9.303 1.00 0.45 C ATOM 809 CG ASP A 51 -5.052 -4.117 -9.807 1.00 0.49 C ATOM 810 OD1 ASP A 51 -5.646 -4.828 -8.969 1.00 0.63 O ATOM 811 OD2 ASP A 51 -5.177 -4.262 -11.041 1.00 0.53 O ATOM 0 H ASP A 51 -2.533 -5.513 -8.201 1.00 0.50 H new ATOM 0 HA ASP A 51 -2.302 -3.992 -9.825 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.583 -2.547 -8.432 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -4.030 -2.256 -10.070 1.00 0.45 H new ATOM 816 N LEU A 52 -0.775 -2.799 -7.766 1.00 0.40 N ATOM 817 CA LEU A 52 0.153 -1.831 -7.196 1.00 0.37 C ATOM 818 C LEU A 52 0.763 -0.923 -8.251 1.00 0.36 C ATOM 819 O LEU A 52 0.836 0.286 -8.058 1.00 0.43 O ATOM 820 CB LEU A 52 1.268 -2.545 -6.423 1.00 0.39 C ATOM 821 CG LEU A 52 2.472 -1.686 -6.060 1.00 0.45 C ATOM 822 CD1 LEU A 52 3.192 -2.306 -4.885 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.421 -1.537 -7.238 1.00 1.29 C ATOM 0 H LEU A 52 -0.510 -3.772 -7.614 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.424 -1.206 -6.514 1.00 0.37 H new ATOM 0 HB2 LEU A 52 0.845 -2.953 -5.505 1.00 0.39 H new ATOM 0 HB3 LEU A 52 1.614 -3.391 -7.018 1.00 0.39 H new ATOM 0 HG LEU A 52 2.119 -0.690 -5.792 1.00 0.45 H new ATOM 0 HD11 LEU A 52 4.055 -1.694 -4.622 1.00 1.06 H new ATOM 0 HD12 LEU A 52 2.515 -2.364 -4.033 1.00 1.06 H new ATOM 0 HD13 LEU A 52 3.526 -3.309 -5.151 1.00 1.06 H new ATOM 0 HD21 LEU A 52 4.270 -0.918 -6.946 1.00 1.29 H new ATOM 0 HD22 LEU A 52 3.777 -2.520 -7.545 1.00 1.29 H new ATOM 0 HD23 LEU A 52 2.898 -1.065 -8.070 1.00 1.29 H new ATOM 835 N TYR A 53 1.232 -1.497 -9.352 1.00 0.32 N ATOM 836 CA TYR A 53 1.861 -0.689 -10.387 1.00 0.33 C ATOM 837 C TYR A 53 0.886 0.348 -10.932 1.00 0.32 C ATOM 838 O TYR A 53 1.233 1.525 -11.081 1.00 0.32 O ATOM 839 CB TYR A 53 2.392 -1.572 -11.521 1.00 0.38 C ATOM 840 CG TYR A 53 2.828 -0.793 -12.744 1.00 0.32 C ATOM 841 CD1 TYR A 53 4.066 -0.168 -12.786 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.997 -0.681 -13.852 1.00 0.32 C ATOM 843 CE1 TYR A 53 4.467 0.548 -13.897 1.00 0.51 C ATOM 844 CE2 TYR A 53 2.391 0.034 -14.968 1.00 0.36 C ATOM 845 CZ TYR A 53 3.626 0.647 -14.986 1.00 0.43 C ATOM 846 OH TYR A 53 4.022 1.358 -16.095 1.00 0.54 O ATOM 0 H TYR A 53 1.191 -2.497 -9.549 1.00 0.32 H new ATOM 0 HA TYR A 53 2.704 -0.165 -9.937 1.00 0.33 H new ATOM 0 HB2 TYR A 53 3.236 -2.154 -11.152 1.00 0.38 H new ATOM 0 HB3 TYR A 53 1.617 -2.282 -11.810 1.00 0.38 H new ATOM 0 HD1 TYR A 53 4.727 -0.243 -11.935 1.00 0.45 H new ATOM 0 HD2 TYR A 53 1.029 -1.160 -13.841 1.00 0.32 H new ATOM 0 HE1 TYR A 53 5.434 1.028 -13.913 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.734 0.112 -15.822 1.00 0.36 H new ATOM 0 HH TYR A 53 3.314 1.328 -16.772 1.00 0.54 H new ATOM 856 N ARG A 54 -0.338 -0.084 -11.216 1.00 0.33 N ATOM 857 CA ARG A 54 -1.357 0.827 -11.713 1.00 0.34 C ATOM 858 C ARG A 54 -1.698 1.795 -10.600 1.00 0.32 C ATOM 859 O ARG A 54 -2.072 2.944 -10.834 1.00 0.32 O ATOM 860 CB ARG A 54 -2.610 0.065 -12.155 1.00 0.38 C ATOM 861 CG ARG A 54 -2.346 -1.391 -12.492 1.00 0.40 C ATOM 862 CD ARG A 54 -3.522 -2.022 -13.220 1.00 0.45 C ATOM 863 NE ARG A 54 -3.259 -3.414 -13.574 1.00 0.98 N ATOM 864 CZ ARG A 54 -3.111 -3.844 -14.823 1.00 1.19 C ATOM 865 NH1 ARG A 54 -3.204 -2.993 -15.837 1.00 1.28 N ATOM 866 NH2 ARG A 54 -2.869 -5.126 -15.060 1.00 1.85 N ATOM 0 H ARG A 54 -0.645 -1.051 -11.111 1.00 0.33 H new ATOM 0 HA ARG A 54 -0.978 1.362 -12.584 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -3.356 0.117 -11.362 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -3.038 0.560 -13.027 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -1.452 -1.465 -13.112 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -2.145 -1.946 -11.576 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -4.410 -1.969 -12.590 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -3.738 -1.452 -14.124 1.00 0.45 H new ATOM 0 HE ARG A 54 -3.185 -4.096 -12.819 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -3.390 -2.006 -15.659 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -3.090 -3.326 -16.794 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -2.796 -5.783 -14.283 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -2.756 -5.455 -16.019 1.00 1.85 H new ATOM 880 N LEU A 55 -1.543 1.303 -9.378 1.00 0.30 N ATOM 881 CA LEU A 55 -1.796 2.088 -8.189 1.00 0.28 C ATOM 882 C LEU A 55 -0.729 3.160 -8.048 1.00 0.26 C ATOM 883 O LEU A 55 -0.987 4.257 -7.559 1.00 0.25 O ATOM 884 CB LEU A 55 -1.791 1.189 -6.950 1.00 0.32 C ATOM 885 CG LEU A 55 -1.855 1.921 -5.607 1.00 0.31 C ATOM 886 CD1 LEU A 55 -2.949 2.977 -5.618 1.00 0.88 C ATOM 887 CD2 LEU A 55 -2.084 0.930 -4.475 1.00 0.79 C ATOM 0 H LEU A 55 -1.238 0.348 -9.189 1.00 0.30 H new ATOM 0 HA LEU A 55 -2.775 2.559 -8.279 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -2.639 0.507 -7.013 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -0.888 0.578 -6.969 1.00 0.32 H new ATOM 0 HG LEU A 55 -0.901 2.422 -5.445 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -2.975 3.484 -4.653 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -2.745 3.704 -6.404 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -3.912 2.501 -5.804 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -2.127 1.465 -3.526 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -3.024 0.403 -4.638 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -1.265 0.211 -4.449 1.00 0.79 H new ATOM 899 N TYR A 56 0.477 2.816 -8.478 1.00 0.30 N ATOM 900 CA TYR A 56 1.611 3.719 -8.410 1.00 0.30 C ATOM 901 C TYR A 56 1.441 4.855 -9.395 1.00 0.30 C ATOM 902 O TYR A 56 1.571 6.021 -9.035 1.00 0.29 O ATOM 903 CB TYR A 56 2.897 2.952 -8.717 1.00 0.35 C ATOM 904 CG TYR A 56 4.169 3.689 -8.366 1.00 0.36 C ATOM 905 CD1 TYR A 56 4.506 4.893 -8.981 1.00 0.95 C ATOM 906 CD2 TYR A 56 5.044 3.164 -7.425 1.00 0.68 C ATOM 907 CE1 TYR A 56 5.681 5.548 -8.658 1.00 1.03 C ATOM 908 CE2 TYR A 56 6.219 3.812 -7.102 1.00 0.85 C ATOM 909 CZ TYR A 56 6.534 5.000 -7.720 1.00 0.74 C ATOM 910 OH TYR A 56 7.705 5.648 -7.401 1.00 0.97 O ATOM 0 H TYR A 56 0.694 1.905 -8.882 1.00 0.30 H new ATOM 0 HA TYR A 56 1.670 4.137 -7.405 1.00 0.30 H new ATOM 0 HB2 TYR A 56 2.879 2.007 -8.174 1.00 0.35 H new ATOM 0 HB3 TYR A 56 2.915 2.709 -9.779 1.00 0.35 H new ATOM 0 HD1 TYR A 56 3.842 5.320 -9.718 1.00 0.95 H new ATOM 0 HD2 TYR A 56 4.801 2.232 -6.937 1.00 0.68 H new ATOM 0 HE1 TYR A 56 5.930 6.483 -9.137 1.00 1.03 H new ATOM 0 HE2 TYR A 56 6.888 3.388 -6.368 1.00 0.85 H new ATOM 0 HH TYR A 56 7.585 6.614 -7.512 1.00 0.97 H new ATOM 920 N VAL A 57 1.150 4.514 -10.641 1.00 0.33 N ATOM 921 CA VAL A 57 0.962 5.531 -11.658 1.00 0.35 C ATOM 922 C VAL A 57 -0.293 6.338 -11.375 1.00 0.31 C ATOM 923 O VAL A 57 -0.364 7.527 -11.689 1.00 0.32 O ATOM 924 CB VAL A 57 0.861 4.925 -13.069 1.00 0.40 C ATOM 925 CG1 VAL A 57 2.167 4.260 -13.454 1.00 0.44 C ATOM 926 CG2 VAL A 57 -0.292 3.937 -13.147 1.00 0.38 C ATOM 0 H VAL A 57 1.041 3.554 -10.967 1.00 0.33 H new ATOM 0 HA VAL A 57 1.838 6.179 -11.624 1.00 0.35 H new ATOM 0 HB VAL A 57 0.665 5.730 -13.777 1.00 0.40 H new ATOM 0 HG11 VAL A 57 2.079 3.837 -14.454 1.00 0.44 H new ATOM 0 HG12 VAL A 57 2.969 4.998 -13.442 1.00 0.44 H new ATOM 0 HG13 VAL A 57 2.394 3.466 -12.743 1.00 0.44 H new ATOM 0 HG21 VAL A 57 -0.346 3.520 -14.153 1.00 0.38 H new ATOM 0 HG22 VAL A 57 -0.131 3.133 -12.429 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -1.226 4.449 -12.916 1.00 0.38 H new ATOM 936 N SER A 58 -1.288 5.690 -10.778 1.00 0.29 N ATOM 937 CA SER A 58 -2.528 6.372 -10.460 1.00 0.27 C ATOM 938 C SER A 58 -2.331 7.311 -9.281 1.00 0.24 C ATOM 939 O SER A 58 -2.814 8.438 -9.301 1.00 0.25 O ATOM 940 CB SER A 58 -3.650 5.381 -10.151 1.00 0.27 C ATOM 941 OG SER A 58 -3.319 4.564 -9.043 1.00 1.13 O ATOM 0 H SER A 58 -1.258 4.706 -10.509 1.00 0.29 H new ATOM 0 HA SER A 58 -2.818 6.951 -11.337 1.00 0.27 H new ATOM 0 HB2 SER A 58 -4.572 5.924 -9.943 1.00 0.27 H new ATOM 0 HB3 SER A 58 -3.838 4.756 -11.024 1.00 0.27 H new ATOM 0 HG SER A 58 -4.133 4.152 -8.686 1.00 1.13 H new ATOM 947 N VAL A 59 -1.616 6.848 -8.257 1.00 0.24 N ATOM 948 CA VAL A 59 -1.367 7.672 -7.082 1.00 0.23 C ATOM 949 C VAL A 59 -0.396 8.791 -7.429 1.00 0.23 C ATOM 950 O VAL A 59 -0.442 9.874 -6.847 1.00 0.22 O ATOM 951 CB VAL A 59 -0.807 6.856 -5.899 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.608 6.378 -6.184 1.00 0.27 C ATOM 953 CG2 VAL A 59 -0.852 7.680 -4.621 1.00 0.26 C ATOM 0 H VAL A 59 -1.204 5.916 -8.219 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.326 8.087 -6.773 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.434 5.974 -5.766 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.977 5.806 -5.333 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.607 5.747 -7.073 1.00 0.27 H new ATOM 0 HG13 VAL A 59 1.256 7.238 -6.351 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.454 7.092 -3.794 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.251 8.581 -4.748 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -1.883 7.959 -4.404 1.00 0.26 H new ATOM 963 N LYS A 60 0.480 8.513 -8.388 1.00 0.26 N ATOM 964 CA LYS A 60 1.453 9.493 -8.836 1.00 0.27 C ATOM 965 C LYS A 60 0.725 10.621 -9.562 1.00 0.26 C ATOM 966 O LYS A 60 0.948 11.800 -9.284 1.00 0.26 O ATOM 967 CB LYS A 60 2.518 8.817 -9.720 1.00 0.31 C ATOM 968 CG LYS A 60 2.249 8.841 -11.208 1.00 0.99 C ATOM 969 CD LYS A 60 3.542 8.991 -11.985 1.00 0.98 C ATOM 970 CE LYS A 60 4.310 7.680 -12.050 1.00 1.26 C ATOM 971 NZ LYS A 60 5.601 7.827 -12.776 1.00 1.78 N ATOM 0 H LYS A 60 0.533 7.615 -8.869 1.00 0.26 H new ATOM 0 HA LYS A 60 1.977 9.924 -7.983 1.00 0.27 H new ATOM 0 HB2 LYS A 60 3.477 9.301 -9.535 1.00 0.31 H new ATOM 0 HB3 LYS A 60 2.619 7.779 -9.405 1.00 0.31 H new ATOM 0 HG2 LYS A 60 1.745 7.922 -11.506 1.00 0.99 H new ATOM 0 HG3 LYS A 60 1.577 9.665 -11.448 1.00 0.99 H new ATOM 0 HD2 LYS A 60 3.322 9.335 -12.996 1.00 0.98 H new ATOM 0 HD3 LYS A 60 4.163 9.754 -11.516 1.00 0.98 H new ATOM 0 HE2 LYS A 60 4.501 7.321 -11.039 1.00 1.26 H new ATOM 0 HE3 LYS A 60 3.699 6.926 -12.546 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 6.093 6.911 -12.798 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 5.418 8.145 -13.749 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 6.195 8.528 -12.289 1.00 1.78 H new ATOM 985 N GLU A 61 -0.146 10.245 -10.496 1.00 0.26 N ATOM 986 CA GLU A 61 -0.941 11.212 -11.240 1.00 0.26 C ATOM 987 C GLU A 61 -1.983 11.853 -10.325 1.00 0.24 C ATOM 988 O GLU A 61 -2.353 13.014 -10.497 1.00 0.24 O ATOM 989 CB GLU A 61 -1.623 10.528 -12.425 1.00 0.27 C ATOM 990 CG GLU A 61 -0.684 10.237 -13.585 1.00 1.22 C ATOM 991 CD GLU A 61 -0.062 11.494 -14.161 1.00 1.54 C ATOM 992 OE1 GLU A 61 -0.767 12.228 -14.886 1.00 1.78 O ATOM 993 OE2 GLU A 61 1.130 11.746 -13.887 1.00 1.88 O ATOM 0 H GLU A 61 -0.317 9.273 -10.754 1.00 0.26 H new ATOM 0 HA GLU A 61 -0.283 11.994 -11.618 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -2.069 9.593 -12.086 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -2.438 11.160 -12.778 1.00 0.27 H new ATOM 0 HG2 GLU A 61 0.107 9.566 -13.248 1.00 1.22 H new ATOM 0 HG3 GLU A 61 -1.232 9.715 -14.369 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.448 11.069 -9.351 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.450 11.521 -8.389 1.00 0.23 C ATOM 1002 C ILE A 62 -3.002 12.797 -7.685 1.00 0.25 C ATOM 1003 O ILE A 62 -3.818 13.661 -7.361 1.00 0.27 O ATOM 1004 CB ILE A 62 -3.748 10.415 -7.345 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -5.004 9.627 -7.762 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -3.897 10.998 -5.939 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -5.443 8.589 -6.752 1.00 0.33 C ATOM 0 H ILE A 62 -2.141 10.107 -9.208 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.364 11.737 -8.942 1.00 0.23 H new ATOM 0 HB ILE A 62 -2.901 9.730 -7.316 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -5.822 10.328 -7.926 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -4.811 9.133 -8.715 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -4.105 10.195 -5.232 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -2.973 11.501 -5.654 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -4.719 11.714 -5.927 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -6.333 8.078 -7.119 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.643 7.864 -6.604 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.670 9.077 -5.804 1.00 0.33 H new ATOM 1019 N GLY A 63 -1.700 12.910 -7.456 1.00 0.30 N ATOM 1020 CA GLY A 63 -1.166 14.078 -6.787 1.00 0.37 C ATOM 1021 C GLY A 63 -0.075 13.723 -5.803 1.00 0.46 C ATOM 1022 O GLY A 63 0.949 14.401 -5.720 1.00 0.74 O ATOM 0 H GLY A 63 -1.005 12.213 -7.722 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -0.772 14.771 -7.530 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -1.971 14.595 -6.264 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.303 12.651 -5.056 1.00 0.29 N ATOM 1027 CA GLY A 64 0.661 12.206 -4.072 1.00 0.35 C ATOM 1028 C GLY A 64 0.006 11.405 -2.966 1.00 0.38 C ATOM 1029 O GLY A 64 -1.153 11.011 -3.084 1.00 0.50 O ATOM 0 H GLY A 64 -1.145 12.079 -5.116 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.423 11.598 -4.559 1.00 0.35 H new ATOM 0 HA3 GLY A 64 1.169 13.070 -3.643 1.00 0.35 H new ATOM 1033 N LEU A 65 0.744 11.165 -1.890 1.00 0.32 N ATOM 1034 CA LEU A 65 0.221 10.397 -0.767 1.00 0.35 C ATOM 1035 C LEU A 65 -0.783 11.205 0.050 1.00 0.32 C ATOM 1036 O LEU A 65 -1.839 10.694 0.423 1.00 0.35 O ATOM 1037 CB LEU A 65 1.347 9.868 0.144 1.00 0.43 C ATOM 1038 CG LEU A 65 2.708 10.587 0.079 1.00 0.94 C ATOM 1039 CD1 LEU A 65 3.433 10.275 -1.225 1.00 1.62 C ATOM 1040 CD2 LEU A 65 2.550 12.089 0.265 1.00 0.86 C ATOM 0 H LEU A 65 1.704 11.490 -1.771 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.297 9.539 -1.195 1.00 0.35 H new ATOM 0 HB2 LEU A 65 0.994 9.908 1.174 1.00 0.43 H new ATOM 0 HB3 LEU A 65 1.509 8.817 -0.096 1.00 0.43 H new ATOM 0 HG LEU A 65 3.317 10.211 0.901 1.00 0.94 H new ATOM 0 HD11 LEU A 65 4.390 10.796 -1.243 1.00 1.62 H new ATOM 0 HD12 LEU A 65 3.603 9.201 -1.299 1.00 1.62 H new ATOM 0 HD13 LEU A 65 2.825 10.605 -2.067 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.528 12.567 0.214 1.00 0.86 H new ATOM 0 HD22 LEU A 65 1.910 12.488 -0.522 1.00 0.86 H new ATOM 0 HD23 LEU A 65 2.098 12.290 1.237 1.00 0.86 H new ATOM 1052 N THR A 66 -0.457 12.463 0.332 1.00 0.35 N ATOM 1053 CA THR A 66 -1.349 13.317 1.105 1.00 0.36 C ATOM 1054 C THR A 66 -2.603 13.632 0.306 1.00 0.30 C ATOM 1055 O THR A 66 -3.683 13.815 0.870 1.00 0.28 O ATOM 1056 CB THR A 66 -0.673 14.638 1.510 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.724 14.427 1.745 1.00 0.76 O ATOM 1058 CG2 THR A 66 -1.318 15.211 2.762 1.00 0.65 C ATOM 0 H THR A 66 0.412 12.910 0.039 1.00 0.35 H new ATOM 0 HA THR A 66 -1.608 12.769 2.011 1.00 0.36 H new ATOM 0 HB THR A 66 -0.799 15.348 0.693 1.00 0.47 H new ATOM 0 HG1 THR A 66 1.144 15.275 2.000 1.00 0.76 H new ATOM 0 HG21 THR A 66 -0.825 16.145 3.031 1.00 0.65 H new ATOM 0 HG22 THR A 66 -2.375 15.400 2.573 1.00 0.65 H new ATOM 0 HG23 THR A 66 -1.218 14.499 3.581 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.452 13.694 -1.014 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.574 13.983 -1.893 1.00 0.29 C ATOM 1068 C GLN A 67 -4.650 12.920 -1.734 1.00 0.23 C ATOM 1069 O GLN A 67 -5.838 13.224 -1.755 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.106 14.091 -3.348 1.00 0.35 C ATOM 1071 CG GLN A 67 -1.883 14.972 -3.507 1.00 0.93 C ATOM 1072 CD GLN A 67 -2.060 16.342 -2.879 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -2.523 17.280 -3.527 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -1.688 16.462 -1.609 1.00 1.77 N ATOM 0 H GLN A 67 -1.564 13.548 -1.495 1.00 0.30 H new ATOM 0 HA GLN A 67 -4.004 14.945 -1.613 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -2.882 13.094 -3.728 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -3.917 14.490 -3.957 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -1.023 14.478 -3.054 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -1.661 15.089 -4.568 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -1.309 15.657 -1.110 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -1.782 17.359 -1.133 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.236 11.670 -1.570 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.189 10.587 -1.373 1.00 0.26 C ATOM 1085 C VAL A 68 -5.914 10.776 -0.053 1.00 0.28 C ATOM 1086 O VAL A 68 -7.103 10.492 0.074 1.00 0.39 O ATOM 1087 CB VAL A 68 -4.498 9.214 -1.316 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -5.532 8.099 -1.268 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -3.550 9.017 -2.488 1.00 0.52 C ATOM 0 H VAL A 68 -3.257 11.383 -1.569 1.00 0.22 H new ATOM 0 HA VAL A 68 -5.876 10.614 -2.219 1.00 0.26 H new ATOM 0 HB VAL A 68 -3.904 9.179 -0.403 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -5.026 7.135 -1.228 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -6.155 8.219 -0.382 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -6.157 8.144 -2.160 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -3.080 8.036 -2.415 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -4.108 9.083 -3.422 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -2.782 9.790 -2.469 1.00 0.52 H new ATOM 1099 N ASN A 69 -5.166 11.272 0.918 1.00 0.24 N ATOM 1100 CA ASN A 69 -5.662 11.471 2.267 1.00 0.29 C ATOM 1101 C ASN A 69 -6.685 12.610 2.400 1.00 0.31 C ATOM 1102 O ASN A 69 -7.503 12.592 3.320 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.479 11.733 3.203 1.00 0.30 C ATOM 1104 CG ASN A 69 -4.695 11.186 4.605 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -3.735 10.882 5.314 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -5.952 11.048 5.010 1.00 1.17 N ATOM 0 H ASN A 69 -4.193 11.549 0.791 1.00 0.24 H new ATOM 0 HA ASN A 69 -6.191 10.558 2.540 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -3.581 11.284 2.779 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.301 12.807 3.262 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -6.151 10.678 5.940 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -6.719 11.312 4.391 1.00 1.17 H new ATOM 1113 N LYS A 70 -6.660 13.601 1.504 1.00 0.28 N ATOM 1114 CA LYS A 70 -7.583 14.735 1.643 1.00 0.38 C ATOM 1115 C LYS A 70 -8.323 15.126 0.356 1.00 0.33 C ATOM 1116 O LYS A 70 -9.211 15.976 0.400 1.00 0.36 O ATOM 1117 CB LYS A 70 -6.815 15.948 2.173 1.00 0.47 C ATOM 1118 CG LYS A 70 -5.753 16.462 1.215 1.00 0.46 C ATOM 1119 CD LYS A 70 -4.832 17.464 1.891 1.00 0.74 C ATOM 1120 CE LYS A 70 -5.545 18.773 2.189 1.00 1.09 C ATOM 1121 NZ LYS A 70 -6.043 19.430 0.948 1.00 1.81 N ATOM 0 H LYS A 70 -6.034 13.645 0.700 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.354 14.408 2.341 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -7.521 16.751 2.384 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.342 15.683 3.119 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.167 15.625 0.837 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.233 16.929 0.355 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -4.450 17.038 2.819 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -3.971 17.656 1.251 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -6.382 18.585 2.861 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -4.864 19.447 2.708 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -5.801 20.441 0.969 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -5.601 18.985 0.118 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -7.076 19.323 0.889 1.00 1.81 H new ATOM 1135 N ASN A 71 -7.977 14.530 -0.779 1.00 0.28 N ATOM 1136 CA ASN A 71 -8.639 14.889 -2.039 1.00 0.27 C ATOM 1137 C ASN A 71 -9.704 13.875 -2.457 1.00 0.28 C ATOM 1138 O ASN A 71 -10.137 13.875 -3.609 1.00 0.29 O ATOM 1139 CB ASN A 71 -7.617 15.056 -3.168 1.00 0.24 C ATOM 1140 CG ASN A 71 -6.806 16.334 -3.049 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -6.375 16.900 -4.053 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -6.592 16.796 -1.822 1.00 1.26 N ATOM 0 H ASN A 71 -7.258 13.811 -0.859 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.141 15.840 -1.858 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -6.940 14.201 -3.168 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -8.137 15.050 -4.126 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -6.052 17.651 -1.686 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -6.967 16.296 -1.016 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.133 13.019 -1.530 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.151 12.013 -1.843 1.00 0.33 C ATOM 1151 C LYS A 72 -10.702 11.138 -2.996 1.00 0.30 C ATOM 1152 O LYS A 72 -11.518 10.494 -3.657 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.484 12.684 -2.180 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.067 13.492 -1.032 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.426 14.072 -1.388 1.00 0.88 C ATOM 1156 CE LYS A 72 -14.323 15.117 -2.483 1.00 1.61 C ATOM 1157 NZ LYS A 72 -15.619 15.811 -2.711 1.00 2.04 N ATOM 0 H LYS A 72 -9.797 13.000 -0.567 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.288 11.385 -0.963 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.344 13.339 -3.040 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.202 11.919 -2.476 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.161 12.857 -0.151 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.383 14.300 -0.771 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -15.090 13.270 -1.712 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -14.875 14.518 -0.501 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -13.561 15.849 -2.216 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -13.998 14.642 -3.409 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -15.507 16.517 -3.466 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.340 15.116 -2.991 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -15.917 16.286 -1.835 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.398 11.114 -3.232 1.00 0.25 N ATOM 1172 CA LYS A 73 -8.847 10.300 -4.294 1.00 0.24 C ATOM 1173 C LYS A 73 -9.149 8.839 -4.028 1.00 0.23 C ATOM 1174 O LYS A 73 -9.248 8.054 -4.958 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.342 10.500 -4.415 1.00 0.31 C ATOM 1176 CG LYS A 73 -6.921 11.956 -4.510 1.00 0.35 C ATOM 1177 CD LYS A 73 -7.079 12.490 -5.925 1.00 0.36 C ATOM 1178 CE LYS A 73 -8.506 12.923 -6.212 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.612 13.667 -7.497 1.00 0.77 N ATOM 0 H LYS A 73 -8.709 11.648 -2.703 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.309 10.606 -5.233 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -6.854 10.046 -3.552 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -6.985 9.970 -5.298 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -7.521 12.555 -3.825 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -5.882 12.057 -4.196 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -6.407 13.336 -6.071 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -6.783 11.721 -6.638 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -9.152 12.046 -6.246 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -8.865 13.552 -5.398 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -9.134 14.553 -7.343 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -7.659 13.884 -7.852 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -9.117 13.084 -8.195 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.295 8.478 -2.749 1.00 0.22 N ATOM 1194 CA TRP A 74 -9.593 7.096 -2.387 1.00 0.24 C ATOM 1195 C TRP A 74 -10.715 6.559 -3.257 1.00 0.23 C ATOM 1196 O TRP A 74 -10.642 5.440 -3.773 1.00 0.22 O ATOM 1197 CB TRP A 74 -9.962 6.962 -0.902 1.00 0.26 C ATOM 1198 CG TRP A 74 -10.700 8.138 -0.325 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -11.927 8.605 -0.700 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -10.266 8.983 0.751 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -12.279 9.687 0.069 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.277 9.939 0.966 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -9.121 9.027 1.551 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -11.179 10.922 1.946 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -9.024 10.005 2.523 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -10.047 10.940 2.714 1.00 2.12 C ATOM 0 H TRP A 74 -9.212 9.117 -1.959 1.00 0.22 H new ATOM 0 HA TRP A 74 -8.691 6.507 -2.556 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -10.574 6.069 -0.774 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.048 6.808 -0.328 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -12.534 8.184 -1.488 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -13.147 10.217 -0.015 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -8.326 8.309 1.412 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -11.968 11.644 2.095 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -8.143 10.048 3.146 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -9.941 11.691 3.483 1.00 2.12 H new ATOM 1217 N ARG A 75 -11.749 7.369 -3.432 1.00 0.25 N ATOM 1218 CA ARG A 75 -12.876 6.970 -4.260 1.00 0.26 C ATOM 1219 C ARG A 75 -12.450 6.921 -5.719 1.00 0.23 C ATOM 1220 O ARG A 75 -12.939 6.101 -6.498 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.049 7.934 -4.075 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.282 7.556 -4.879 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.539 8.158 -4.274 1.00 0.48 C ATOM 1224 NE ARG A 75 -16.434 9.606 -4.123 1.00 1.25 N ATOM 1225 CZ ARG A 75 -17.258 10.331 -3.372 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -18.245 9.744 -2.708 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -17.096 11.644 -3.285 1.00 2.57 N ATOM 0 H ARG A 75 -11.831 8.297 -3.016 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.204 5.977 -3.954 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.313 7.973 -3.018 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -13.732 8.937 -4.362 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -15.169 7.901 -5.907 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.377 6.471 -4.916 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -17.395 7.921 -4.906 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -16.726 7.705 -3.301 1.00 0.48 H new ATOM 0 HE ARG A 75 -15.687 10.089 -4.622 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -18.373 8.734 -2.773 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -18.876 10.302 -2.133 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -16.339 12.099 -3.794 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -17.729 12.199 -2.709 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.525 7.803 -6.077 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.020 7.873 -7.437 1.00 0.22 C ATOM 1243 C GLU A 76 -10.190 6.641 -7.792 1.00 0.20 C ATOM 1244 O GLU A 76 -10.371 6.077 -8.864 1.00 0.20 O ATOM 1245 CB GLU A 76 -10.209 9.153 -7.637 1.00 0.25 C ATOM 1246 CG GLU A 76 -9.571 9.274 -9.009 1.00 1.27 C ATOM 1247 CD GLU A 76 -8.972 10.644 -9.254 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -9.711 11.542 -9.712 1.00 2.05 O ATOM 1249 OE2 GLU A 76 -7.765 10.821 -8.989 1.00 2.09 O ATOM 0 H GLU A 76 -11.109 8.482 -5.439 1.00 0.23 H new ATOM 0 HA GLU A 76 -11.876 7.893 -8.112 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -10.860 10.012 -7.474 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -9.427 9.197 -6.879 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -8.793 8.518 -9.112 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.320 9.067 -9.773 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.281 6.215 -6.904 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.475 5.031 -7.182 1.00 0.19 C ATOM 1258 C LEU A 77 -9.366 3.802 -7.190 1.00 0.19 C ATOM 1259 O LEU A 77 -9.161 2.883 -7.983 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.317 4.859 -6.187 1.00 0.20 C ATOM 1261 CG LEU A 77 -7.587 5.302 -4.746 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.158 4.225 -3.763 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -6.848 6.592 -4.438 1.00 0.24 C ATOM 0 H LEU A 77 -9.092 6.665 -6.008 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.020 5.161 -8.164 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -7.031 3.807 -6.173 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.459 5.417 -6.561 1.00 0.20 H new ATOM 0 HG LEU A 77 -8.659 5.470 -4.642 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.359 4.560 -2.745 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -7.716 3.310 -3.960 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -6.091 4.032 -3.878 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.052 6.891 -3.410 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -5.777 6.437 -4.565 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -7.184 7.375 -5.117 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.356 3.782 -6.299 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.304 2.680 -6.257 1.00 0.21 C ATOM 1277 C ALA A 78 -12.024 2.608 -7.597 1.00 0.21 C ATOM 1278 O ALA A 78 -12.252 1.533 -8.146 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.302 2.889 -5.126 1.00 0.24 C ATOM 0 H ALA A 78 -10.518 4.511 -5.604 1.00 0.20 H new ATOM 0 HA ALA A 78 -10.778 1.743 -6.074 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -13.007 2.058 -5.104 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -11.770 2.939 -4.176 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -12.845 3.821 -5.287 1.00 0.24 H new ATOM 1285 N THR A 79 -12.368 3.785 -8.113 1.00 0.21 N ATOM 1286 CA THR A 79 -13.053 3.910 -9.393 1.00 0.23 C ATOM 1287 C THR A 79 -12.105 3.623 -10.565 1.00 0.24 C ATOM 1288 O THR A 79 -12.507 3.042 -11.574 1.00 0.28 O ATOM 1289 CB THR A 79 -13.635 5.333 -9.560 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.585 5.599 -8.521 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.302 5.498 -10.917 1.00 0.30 C ATOM 0 H THR A 79 -12.179 4.677 -7.655 1.00 0.21 H new ATOM 0 HA THR A 79 -13.859 3.177 -9.401 1.00 0.23 H new ATOM 0 HB THR A 79 -12.811 6.044 -9.493 1.00 0.25 H new ATOM 0 HG1 THR A 79 -14.110 5.820 -7.693 1.00 0.25 H new ATOM 0 HG21 THR A 79 -14.702 6.508 -11.006 1.00 0.30 H new ATOM 0 HG22 THR A 79 -13.569 5.327 -11.706 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.114 4.777 -11.014 1.00 0.30 H new ATOM 1299 N ASN A 80 -10.845 4.036 -10.416 1.00 0.22 N ATOM 1300 CA ASN A 80 -9.834 3.851 -11.458 1.00 0.25 C ATOM 1301 C ASN A 80 -9.551 2.378 -11.700 1.00 0.29 C ATOM 1302 O ASN A 80 -9.431 1.934 -12.843 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.534 4.569 -11.080 1.00 0.25 C ATOM 1304 CG ASN A 80 -8.582 6.054 -11.378 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -8.677 6.878 -10.474 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -8.516 6.401 -12.658 1.00 1.75 N ATOM 0 H ASN A 80 -10.499 4.504 -9.578 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.230 4.282 -12.378 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.337 4.421 -10.018 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -7.703 4.119 -11.624 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -8.544 7.386 -12.921 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -8.438 5.683 -13.378 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.443 1.630 -10.617 1.00 0.36 N ATOM 1314 CA LEU A 81 -9.161 0.206 -10.690 1.00 0.40 C ATOM 1315 C LEU A 81 -10.450 -0.600 -10.741 1.00 0.42 C ATOM 1316 O LEU A 81 -10.449 -1.805 -10.484 1.00 0.45 O ATOM 1317 CB LEU A 81 -8.319 -0.200 -9.481 1.00 0.41 C ATOM 1318 CG LEU A 81 -7.002 0.562 -9.345 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.354 0.263 -8.007 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -6.062 0.211 -10.487 1.00 0.50 C ATOM 0 H LEU A 81 -9.547 1.988 -9.668 1.00 0.36 H new ATOM 0 HA LEU A 81 -8.606 -0.002 -11.605 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -8.908 -0.048 -8.576 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -8.103 -1.266 -9.546 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.214 1.630 -9.394 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.417 0.813 -7.926 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -7.024 0.566 -7.202 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -6.155 -0.806 -7.930 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -5.129 0.763 -10.373 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -5.854 -0.859 -10.472 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -6.527 0.477 -11.436 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.547 0.073 -11.093 1.00 0.44 N ATOM 1333 CA ASN A 82 -12.850 -0.575 -11.171 1.00 0.48 C ATOM 1334 C ASN A 82 -13.076 -1.446 -9.944 1.00 0.43 C ATOM 1335 O ASN A 82 -12.958 -2.669 -10.007 1.00 0.66 O ATOM 1336 CB ASN A 82 -12.957 -1.417 -12.444 1.00 0.57 C ATOM 1337 CG ASN A 82 -12.839 -0.581 -13.703 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -13.222 0.589 -13.724 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -12.307 -1.180 -14.762 1.00 2.01 N ATOM 0 H ASN A 82 -11.555 1.066 -11.328 1.00 0.44 H new ATOM 0 HA ASN A 82 -13.619 0.197 -11.203 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -12.175 -2.176 -12.441 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -13.912 -1.943 -12.449 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -12.202 -0.668 -15.638 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -12.003 -2.152 -14.699 1.00 2.01 H new ATOM 1346 N VAL A 83 -13.384 -0.806 -8.824 1.00 0.35 N ATOM 1347 CA VAL A 83 -13.605 -1.524 -7.581 1.00 0.35 C ATOM 1348 C VAL A 83 -15.068 -1.444 -7.151 1.00 0.43 C ATOM 1349 O VAL A 83 -15.545 -2.289 -6.390 1.00 0.50 O ATOM 1350 CB VAL A 83 -12.686 -0.975 -6.465 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -13.479 -0.324 -5.352 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -11.797 -2.066 -5.914 1.00 1.39 C ATOM 0 H VAL A 83 -13.486 0.206 -8.753 1.00 0.35 H new ATOM 0 HA VAL A 83 -13.359 -2.572 -7.752 1.00 0.35 H new ATOM 0 HB VAL A 83 -12.057 -0.207 -6.914 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -12.796 0.048 -4.588 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -14.059 0.506 -5.756 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -14.154 -1.057 -4.909 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -11.160 -1.655 -5.131 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -12.414 -2.863 -5.499 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -11.175 -2.467 -6.714 1.00 1.39 H new ATOM 1362 N GLY A 84 -15.781 -0.433 -7.642 1.00 0.49 N ATOM 1363 CA GLY A 84 -17.182 -0.294 -7.298 1.00 0.67 C ATOM 1364 C GLY A 84 -17.676 1.138 -7.284 1.00 0.86 C ATOM 1365 O GLY A 84 -18.753 1.427 -7.804 1.00 1.76 O ATOM 0 H GLY A 84 -15.415 0.286 -8.267 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -17.778 -0.866 -8.009 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.349 -0.734 -6.315 1.00 0.67 H new ATOM 1369 N THR A 85 -16.898 2.035 -6.685 1.00 0.54 N ATOM 1370 CA THR A 85 -17.275 3.446 -6.604 1.00 0.53 C ATOM 1371 C THR A 85 -18.588 3.619 -5.844 1.00 0.75 C ATOM 1372 O THR A 85 -19.224 4.671 -5.916 1.00 1.28 O ATOM 1373 CB THR A 85 -17.430 4.082 -8.004 1.00 0.56 C ATOM 1374 OG1 THR A 85 -18.777 3.930 -8.466 1.00 0.64 O ATOM 1375 CG2 THR A 85 -16.479 3.443 -9.006 1.00 0.65 C ATOM 0 H THR A 85 -16.003 1.812 -6.249 1.00 0.54 H new ATOM 0 HA THR A 85 -16.469 3.951 -6.072 1.00 0.53 H new ATOM 0 HB THR A 85 -17.187 5.141 -7.919 1.00 0.56 H new ATOM 0 HG1 THR A 85 -18.975 2.978 -8.589 1.00 0.64 H new ATOM 0 HG21 THR A 85 -16.611 3.911 -9.982 1.00 0.65 H new ATOM 0 HG22 THR A 85 -15.451 3.583 -8.672 1.00 0.65 H new ATOM 0 HG23 THR A 85 -16.694 2.377 -9.083 1.00 0.65 H new ATOM 1383 N SER A 86 -18.984 2.584 -5.109 1.00 1.21 N ATOM 1384 CA SER A 86 -20.227 2.614 -4.345 1.00 1.44 C ATOM 1385 C SER A 86 -20.036 3.295 -2.991 1.00 0.94 C ATOM 1386 O SER A 86 -20.645 2.892 -2.001 1.00 1.80 O ATOM 1387 CB SER A 86 -20.752 1.191 -4.142 1.00 2.34 C ATOM 1388 OG SER A 86 -19.828 0.406 -3.410 1.00 2.95 O ATOM 0 H SER A 86 -18.461 1.712 -5.026 1.00 1.21 H new ATOM 0 HA SER A 86 -20.954 3.193 -4.914 1.00 1.44 H new ATOM 0 HB2 SER A 86 -21.705 1.224 -3.614 1.00 2.34 H new ATOM 0 HB3 SER A 86 -20.940 0.728 -5.111 1.00 2.34 H new ATOM 0 HG SER A 86 -20.188 -0.498 -3.292 1.00 2.95 H new ATOM 1394 N SER A 87 -19.198 4.333 -2.967 1.00 0.79 N ATOM 1395 CA SER A 87 -18.914 5.090 -1.745 1.00 1.15 C ATOM 1396 C SER A 87 -18.060 4.281 -0.769 1.00 0.95 C ATOM 1397 O SER A 87 -16.927 4.659 -0.469 1.00 0.92 O ATOM 1398 CB SER A 87 -20.213 5.537 -1.065 1.00 1.76 C ATOM 1399 OG SER A 87 -21.001 6.327 -1.938 1.00 2.42 O ATOM 0 H SER A 87 -18.699 4.672 -3.789 1.00 0.79 H new ATOM 0 HA SER A 87 -18.348 5.975 -2.036 1.00 1.15 H new ATOM 0 HB2 SER A 87 -20.781 4.662 -0.749 1.00 1.76 H new ATOM 0 HB3 SER A 87 -19.979 6.107 -0.166 1.00 1.76 H new ATOM 0 HG SER A 87 -21.824 6.598 -1.481 1.00 2.42 H new ATOM 1405 N SER A 88 -18.604 3.172 -0.276 1.00 0.90 N ATOM 1406 CA SER A 88 -17.882 2.318 0.662 1.00 0.79 C ATOM 1407 C SER A 88 -16.596 1.793 0.034 1.00 0.60 C ATOM 1408 O SER A 88 -15.644 1.443 0.737 1.00 0.53 O ATOM 1409 CB SER A 88 -18.763 1.148 1.103 1.00 0.91 C ATOM 1410 OG SER A 88 -18.079 0.309 2.019 1.00 1.36 O ATOM 0 H SER A 88 -19.541 2.844 -0.510 1.00 0.90 H new ATOM 0 HA SER A 88 -17.623 2.916 1.536 1.00 0.79 H new ATOM 0 HB2 SER A 88 -19.674 1.529 1.565 1.00 0.91 H new ATOM 0 HB3 SER A 88 -19.066 0.568 0.231 1.00 0.91 H new ATOM 0 HG SER A 88 -18.665 -0.430 2.286 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.573 1.747 -1.295 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.404 1.273 -2.023 1.00 0.40 C ATOM 1418 C ALA A 89 -14.192 2.136 -1.705 1.00 0.33 C ATOM 1419 O ALA A 89 -13.071 1.643 -1.638 1.00 0.29 O ATOM 1420 CB ALA A 89 -15.676 1.272 -3.522 1.00 0.39 C ATOM 0 H ALA A 89 -17.352 2.033 -1.888 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.193 0.251 -1.708 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -14.793 0.915 -4.052 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.519 0.616 -3.738 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -15.911 2.285 -3.850 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.428 3.428 -1.515 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.358 4.362 -1.189 1.00 0.35 C ATOM 1428 C ALA A 90 -12.756 4.041 0.171 1.00 0.34 C ATOM 1429 O ALA A 90 -11.542 4.092 0.343 1.00 0.32 O ATOM 1430 CB ALA A 90 -13.884 5.786 -1.216 1.00 0.42 C ATOM 0 H ALA A 90 -15.353 3.853 -1.581 1.00 0.37 H new ATOM 0 HA ALA A 90 -12.572 4.263 -1.938 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.077 6.477 -0.971 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -14.267 6.014 -2.211 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -14.686 5.892 -0.485 1.00 0.42 H new ATOM 1436 N SER A 91 -13.613 3.708 1.130 1.00 0.38 N ATOM 1437 CA SER A 91 -13.158 3.373 2.472 1.00 0.39 C ATOM 1438 C SER A 91 -12.313 2.103 2.450 1.00 0.36 C ATOM 1439 O SER A 91 -11.207 2.068 3.000 1.00 0.36 O ATOM 1440 CB SER A 91 -14.353 3.190 3.409 1.00 0.45 C ATOM 1441 OG SER A 91 -13.928 2.881 4.725 1.00 1.35 O ATOM 0 H SER A 91 -14.624 3.663 1.002 1.00 0.38 H new ATOM 0 HA SER A 91 -12.544 4.195 2.840 1.00 0.39 H new ATOM 0 HB2 SER A 91 -14.952 4.101 3.422 1.00 0.45 H new ATOM 0 HB3 SER A 91 -14.994 2.392 3.034 1.00 0.45 H new ATOM 0 HG SER A 91 -14.711 2.771 5.304 1.00 1.35 H new ATOM 1447 N SER A 92 -12.832 1.064 1.801 1.00 0.34 N ATOM 1448 CA SER A 92 -12.118 -0.202 1.710 1.00 0.33 C ATOM 1449 C SER A 92 -10.836 -0.033 0.909 1.00 0.29 C ATOM 1450 O SER A 92 -9.796 -0.597 1.254 1.00 0.29 O ATOM 1451 CB SER A 92 -13.004 -1.272 1.072 1.00 0.35 C ATOM 1452 OG SER A 92 -14.138 -1.544 1.877 1.00 1.41 O ATOM 0 H SER A 92 -13.739 1.075 1.334 1.00 0.34 H new ATOM 0 HA SER A 92 -11.858 -0.523 2.719 1.00 0.33 H new ATOM 0 HB2 SER A 92 -13.326 -0.940 0.085 1.00 0.35 H new ATOM 0 HB3 SER A 92 -12.429 -2.187 0.929 1.00 0.35 H new ATOM 0 HG SER A 92 -14.689 -2.230 1.445 1.00 1.41 H new ATOM 1458 N LEU A 93 -10.910 0.755 -0.159 1.00 0.27 N ATOM 1459 CA LEU A 93 -9.746 0.999 -0.995 1.00 0.24 C ATOM 1460 C LEU A 93 -8.792 1.935 -0.281 1.00 0.26 C ATOM 1461 O LEU A 93 -7.608 2.002 -0.606 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.163 1.560 -2.356 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.488 0.500 -3.413 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.211 -0.019 -4.052 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.281 -0.648 -2.800 1.00 0.29 C ATOM 0 H LEU A 93 -11.759 1.232 -0.462 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.233 0.055 -1.176 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.037 2.197 -2.219 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.362 2.195 -2.733 1.00 0.21 H new ATOM 0 HG LEU A 93 -11.101 0.964 -4.186 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.459 -0.771 -4.801 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.681 0.806 -4.528 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.576 -0.464 -3.286 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.501 -1.389 -3.568 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -10.696 -1.111 -2.006 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.214 -0.266 -2.387 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.325 2.670 0.687 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.515 3.572 1.486 1.00 0.33 C ATOM 1479 C LYS A 94 -7.572 2.742 2.334 1.00 0.34 C ATOM 1480 O LYS A 94 -6.355 2.938 2.319 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.394 4.429 2.398 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.029 5.901 2.399 1.00 0.44 C ATOM 1483 CD LYS A 94 -7.630 6.137 2.941 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.556 5.847 4.431 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.232 6.209 5.004 1.00 0.48 N ATOM 0 H LYS A 94 -10.314 2.657 0.935 1.00 0.29 H new ATOM 0 HA LYS A 94 -7.958 4.236 0.825 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.434 4.323 2.088 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.324 4.047 3.417 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.096 6.292 1.384 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -9.750 6.453 3.002 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -6.921 5.503 2.410 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.336 7.170 2.755 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.339 6.402 4.948 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.749 4.788 4.604 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -6.026 5.595 5.818 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.495 6.084 4.281 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.248 7.201 5.315 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.156 1.799 3.071 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.384 0.910 3.920 1.00 0.37 C ATOM 1501 C LYS A 95 -6.500 0.013 3.070 1.00 0.35 C ATOM 1502 O LYS A 95 -5.407 -0.363 3.479 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.306 0.064 4.794 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.558 -0.919 5.679 1.00 0.50 C ATOM 1505 CD LYS A 95 -8.472 -1.528 6.723 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.748 -2.573 7.556 1.00 1.08 C ATOM 1507 NZ LYS A 95 -8.658 -3.236 8.529 1.00 1.19 N ATOM 0 H LYS A 95 -9.163 1.635 3.094 1.00 0.34 H new ATOM 0 HA LYS A 95 -6.753 1.516 4.571 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -8.907 0.723 5.421 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -8.997 -0.486 4.155 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -7.127 -1.710 5.064 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.729 -0.410 6.171 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -8.855 -0.743 7.375 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -9.333 -1.984 6.233 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -7.312 -3.324 6.897 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -6.924 -2.102 8.092 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -8.126 -3.941 9.077 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -9.055 -2.523 9.174 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -9.431 -3.707 8.016 1.00 1.19 H new ATOM 1521 N GLN A 96 -6.984 -0.332 1.882 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.222 -1.170 0.971 1.00 0.30 C ATOM 1523 C GLN A 96 -5.019 -0.410 0.431 1.00 0.31 C ATOM 1524 O GLN A 96 -3.926 -0.960 0.312 1.00 0.35 O ATOM 1525 CB GLN A 96 -7.099 -1.654 -0.171 1.00 0.29 C ATOM 1526 CG GLN A 96 -7.491 -3.110 -0.023 1.00 0.33 C ATOM 1527 CD GLN A 96 -8.240 -3.389 1.265 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -7.637 -3.696 2.294 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -9.562 -3.287 1.216 1.00 1.11 N ATOM 0 H GLN A 96 -7.897 -0.044 1.531 1.00 0.30 H new ATOM 0 HA GLN A 96 -5.865 -2.040 1.522 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.999 -1.041 -0.218 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.570 -1.517 -1.114 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -8.112 -3.402 -0.870 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -6.594 -3.728 -0.057 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -10.022 -3.030 0.342 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -10.119 -3.466 2.052 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.229 0.866 0.118 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.165 1.711 -0.404 1.00 0.32 C ATOM 1540 C TYR A 97 -3.066 1.878 0.635 1.00 0.36 C ATOM 1541 O TYR A 97 -1.883 1.691 0.342 1.00 0.41 O ATOM 1542 CB TYR A 97 -4.732 3.079 -0.793 1.00 0.33 C ATOM 1543 CG TYR A 97 -3.681 4.149 -0.991 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.025 4.282 -2.205 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -3.347 5.023 0.035 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.065 5.255 -2.395 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -2.386 6.000 -0.145 1.00 0.36 C ATOM 1548 CZ TYR A 97 -1.749 6.111 -1.361 1.00 0.36 C ATOM 1549 OH TYR A 97 -0.790 7.082 -1.545 1.00 0.41 O ATOM 0 H TYR A 97 -6.129 1.336 0.218 1.00 0.30 H new ATOM 0 HA TYR A 97 -3.739 1.236 -1.288 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.306 2.974 -1.713 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.427 3.406 -0.019 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.270 3.612 -3.016 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -3.846 4.938 0.989 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -1.564 5.346 -3.348 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -2.136 6.672 0.663 1.00 0.36 H new ATOM 0 HH TYR A 97 -0.144 7.047 -0.809 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.462 2.201 1.860 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.492 2.380 2.923 1.00 0.42 C ATOM 1561 C ILE A 98 -1.824 1.047 3.248 1.00 0.41 C ATOM 1562 O ILE A 98 -0.607 0.970 3.390 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.128 2.979 4.196 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.338 2.157 4.638 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -3.518 4.429 3.952 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -5.042 2.714 5.859 1.00 0.44 C ATOM 0 H ILE A 98 -4.434 2.342 2.136 1.00 0.37 H new ATOM 0 HA ILE A 98 -1.744 3.089 2.569 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.393 2.947 5.000 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.049 2.102 3.814 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -4.015 1.138 4.849 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -3.966 4.842 4.856 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -2.631 5.005 3.690 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.238 4.480 3.135 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -5.890 2.077 6.112 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.347 2.743 6.698 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.396 3.723 5.646 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.622 -0.012 3.334 1.00 0.44 N ATOM 1579 CA GLN A 99 -2.091 -1.338 3.623 1.00 0.45 C ATOM 1580 C GLN A 99 -1.215 -1.815 2.473 1.00 0.47 C ATOM 1581 O GLN A 99 -0.359 -2.682 2.647 1.00 0.52 O ATOM 1582 CB GLN A 99 -3.224 -2.339 3.860 1.00 0.42 C ATOM 1583 CG GLN A 99 -3.894 -2.191 5.218 1.00 0.43 C ATOM 1584 CD GLN A 99 -2.945 -2.463 6.368 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -2.276 -1.555 6.864 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -2.885 -3.716 6.801 1.00 1.84 N ATOM 0 H GLN A 99 -3.634 0.022 3.208 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.490 -1.273 4.530 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -3.974 -2.217 3.079 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -2.829 -3.351 3.768 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -4.295 -1.182 5.313 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.739 -2.877 5.279 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -3.457 -4.436 6.360 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -2.266 -3.959 7.575 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.436 -1.237 1.296 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.675 -1.602 0.110 1.00 0.49 C ATOM 1597 C CYS A 100 0.707 -0.958 0.107 1.00 0.60 C ATOM 1598 O CYS A 100 1.693 -1.608 -0.244 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.429 -1.196 -1.156 1.00 0.43 C ATOM 1600 SG CYS A 100 -0.597 -1.664 -2.692 1.00 0.55 S ATOM 0 H CYS A 100 -2.137 -0.513 1.140 1.00 0.45 H new ATOM 0 HA CYS A 100 -0.549 -2.684 0.128 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -2.419 -1.651 -1.138 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -1.575 -0.116 -1.149 1.00 0.43 H new ATOM 0 HG CYS A 100 -1.466 -1.719 -3.657 1.00 0.55 H new ATOM 1606 N LEU A 101 0.790 0.317 0.493 1.00 0.63 N ATOM 1607 CA LEU A 101 2.080 1.003 0.489 1.00 0.81 C ATOM 1608 C LEU A 101 2.145 2.195 1.451 1.00 0.75 C ATOM 1609 O LEU A 101 2.567 3.284 1.061 1.00 0.85 O ATOM 1610 CB LEU A 101 2.412 1.467 -0.935 1.00 1.26 C ATOM 1611 CG LEU A 101 1.217 1.559 -1.894 1.00 0.67 C ATOM 1612 CD1 LEU A 101 0.222 2.614 -1.428 1.00 1.58 C ATOM 1613 CD2 LEU A 101 1.695 1.863 -3.305 1.00 1.42 C ATOM 0 H LEU A 101 0.000 0.882 0.805 1.00 0.63 H new ATOM 0 HA LEU A 101 2.817 0.282 0.841 1.00 0.81 H new ATOM 0 HB2 LEU A 101 2.887 2.447 -0.878 1.00 1.26 H new ATOM 0 HB3 LEU A 101 3.145 0.782 -1.360 1.00 1.26 H new ATOM 0 HG LEU A 101 0.708 0.595 -1.897 1.00 0.67 H new ATOM 0 HD11 LEU A 101 -0.615 2.658 -2.125 1.00 1.58 H new ATOM 0 HD12 LEU A 101 -0.146 2.354 -0.436 1.00 1.58 H new ATOM 0 HD13 LEU A 101 0.714 3.586 -1.389 1.00 1.58 H new ATOM 0 HD21 LEU A 101 0.837 1.925 -3.974 1.00 1.42 H new ATOM 0 HD22 LEU A 101 2.230 2.813 -3.311 1.00 1.42 H new ATOM 0 HD23 LEU A 101 2.361 1.069 -3.642 1.00 1.42 H new ATOM 1625 N TYR A 102 1.735 2.001 2.704 1.00 0.74 N ATOM 1626 CA TYR A 102 1.797 3.088 3.684 1.00 0.90 C ATOM 1627 C TYR A 102 3.244 3.402 4.036 1.00 0.96 C ATOM 1628 O TYR A 102 3.693 4.541 3.897 1.00 1.13 O ATOM 1629 CB TYR A 102 1.012 2.739 4.953 1.00 0.98 C ATOM 1630 CG TYR A 102 0.843 3.898 5.911 1.00 1.21 C ATOM 1631 CD1 TYR A 102 1.837 4.226 6.825 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.318 4.663 5.901 1.00 0.96 C ATOM 1633 CE1 TYR A 102 1.680 5.282 7.701 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.481 5.721 6.774 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.520 6.027 7.672 1.00 1.70 C ATOM 1636 OH TYR A 102 0.361 7.081 8.541 1.00 1.96 O ATOM 0 H TYR A 102 1.363 1.121 3.061 1.00 0.74 H new ATOM 0 HA TYR A 102 1.340 3.969 3.234 1.00 0.90 H new ATOM 0 HB2 TYR A 102 0.027 2.370 4.668 1.00 0.98 H new ATOM 0 HB3 TYR A 102 1.520 1.925 5.470 1.00 0.98 H new ATOM 0 HD1 TYR A 102 2.747 3.645 6.851 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -1.105 4.426 5.200 1.00 0.96 H new ATOM 0 HE1 TYR A 102 2.462 5.523 8.406 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.389 6.306 6.753 1.00 1.21 H new ATOM 0 HH TYR A 102 -0.511 7.501 8.389 1.00 1.96 H new ATOM 1646 N ALA A 103 3.972 2.390 4.495 1.00 0.96 N ATOM 1647 CA ALA A 103 5.374 2.567 4.833 1.00 1.15 C ATOM 1648 C ALA A 103 6.182 2.615 3.555 1.00 1.04 C ATOM 1649 O ALA A 103 7.199 3.302 3.464 1.00 1.16 O ATOM 1650 CB ALA A 103 5.872 1.447 5.731 1.00 1.39 C ATOM 0 H ALA A 103 3.615 1.446 4.640 1.00 0.96 H new ATOM 0 HA ALA A 103 5.490 3.501 5.382 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.924 1.609 5.965 1.00 1.39 H new ATOM 0 HB2 ALA A 103 5.292 1.436 6.654 1.00 1.39 H new ATOM 0 HB3 ALA A 103 5.757 0.492 5.219 1.00 1.39 H new ATOM 1656 N PHE A 104 5.707 1.869 2.565 1.00 0.87 N ATOM 1657 CA PHE A 104 6.350 1.825 1.270 1.00 0.87 C ATOM 1658 C PHE A 104 6.372 3.209 0.658 1.00 0.85 C ATOM 1659 O PHE A 104 7.263 3.528 -0.117 1.00 0.93 O ATOM 1660 CB PHE A 104 5.660 0.829 0.344 1.00 0.96 C ATOM 1661 CG PHE A 104 5.974 -0.592 0.700 1.00 1.89 C ATOM 1662 CD1 PHE A 104 5.331 -1.210 1.760 1.00 2.80 C ATOM 1663 CD2 PHE A 104 6.927 -1.304 -0.008 1.00 2.36 C ATOM 1664 CE1 PHE A 104 5.633 -2.511 2.107 1.00 4.03 C ATOM 1665 CE2 PHE A 104 7.233 -2.608 0.331 1.00 3.48 C ATOM 1666 CZ PHE A 104 6.585 -3.211 1.391 1.00 4.31 C ATOM 0 H PHE A 104 4.874 1.286 2.641 1.00 0.87 H new ATOM 0 HA PHE A 104 7.377 1.485 1.405 1.00 0.87 H new ATOM 0 HB2 PHE A 104 4.582 0.982 0.388 1.00 0.96 H new ATOM 0 HB3 PHE A 104 5.967 1.020 -0.684 1.00 0.96 H new ATOM 0 HD1 PHE A 104 4.585 -0.667 2.321 1.00 2.80 H new ATOM 0 HD2 PHE A 104 7.438 -0.834 -0.836 1.00 2.36 H new ATOM 0 HE1 PHE A 104 5.126 -2.981 2.937 1.00 4.03 H new ATOM 0 HE2 PHE A 104 7.976 -3.154 -0.231 1.00 3.48 H new ATOM 0 HZ PHE A 104 6.822 -4.230 1.660 1.00 4.31 H new ATOM 1676 N GLU A 105 5.383 4.034 0.999 1.00 0.90 N ATOM 1677 CA GLU A 105 5.342 5.390 0.477 1.00 1.14 C ATOM 1678 C GLU A 105 6.659 6.092 0.793 1.00 1.25 C ATOM 1679 O GLU A 105 7.246 6.745 -0.067 1.00 1.40 O ATOM 1680 CB GLU A 105 4.159 6.154 1.077 1.00 1.31 C ATOM 1681 CG GLU A 105 4.217 7.656 0.855 1.00 1.56 C ATOM 1682 CD GLU A 105 4.844 8.396 2.021 1.00 2.56 C ATOM 1683 OE1 GLU A 105 4.107 8.772 2.954 1.00 3.26 O ATOM 1684 OE2 GLU A 105 6.077 8.599 2.000 1.00 2.95 O ATOM 0 H GLU A 105 4.614 3.789 1.623 1.00 0.90 H new ATOM 0 HA GLU A 105 5.208 5.360 -0.604 1.00 1.14 H new ATOM 0 HB2 GLU A 105 3.235 5.769 0.646 1.00 1.31 H new ATOM 0 HB3 GLU A 105 4.118 5.957 2.148 1.00 1.31 H new ATOM 0 HG2 GLU A 105 4.787 7.864 -0.051 1.00 1.56 H new ATOM 0 HG3 GLU A 105 3.208 8.034 0.690 1.00 1.56 H new ATOM 1691 N CYS A 106 7.114 5.940 2.031 1.00 1.26 N ATOM 1692 CA CYS A 106 8.379 6.520 2.469 1.00 1.44 C ATOM 1693 C CYS A 106 9.528 5.732 1.871 1.00 1.36 C ATOM 1694 O CYS A 106 10.563 6.281 1.507 1.00 1.50 O ATOM 1695 CB CYS A 106 8.470 6.483 3.994 1.00 1.58 C ATOM 1696 SG CYS A 106 9.609 7.694 4.704 1.00 1.89 S ATOM 0 H CYS A 106 6.622 5.416 2.755 1.00 1.26 H new ATOM 0 HA CYS A 106 8.434 7.556 2.135 1.00 1.44 H new ATOM 0 HB2 CYS A 106 7.476 6.650 4.409 1.00 1.58 H new ATOM 0 HB3 CYS A 106 8.781 5.485 4.303 1.00 1.58 H new ATOM 0 HG CYS A 106 9.611 7.581 5.999 1.00 1.89 H new ATOM 1702 N LYS A 107 9.322 4.434 1.779 1.00 1.19 N ATOM 1703 CA LYS A 107 10.315 3.540 1.226 1.00 1.19 C ATOM 1704 C LYS A 107 10.513 3.812 -0.263 1.00 1.18 C ATOM 1705 O LYS A 107 11.553 3.480 -0.828 1.00 1.25 O ATOM 1706 CB LYS A 107 9.860 2.103 1.440 1.00 1.17 C ATOM 1707 CG LYS A 107 10.862 1.062 0.988 1.00 1.31 C ATOM 1708 CD LYS A 107 10.215 -0.305 0.911 1.00 1.24 C ATOM 1709 CE LYS A 107 11.057 -1.274 0.108 1.00 2.00 C ATOM 1710 NZ LYS A 107 12.481 -1.266 0.540 1.00 2.84 N ATOM 0 H LYS A 107 8.465 3.972 2.084 1.00 1.19 H new ATOM 0 HA LYS A 107 11.268 3.704 1.730 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.650 1.954 2.499 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.924 1.946 0.905 1.00 1.17 H new ATOM 0 HG2 LYS A 107 11.263 1.336 0.012 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.702 1.034 1.681 1.00 1.31 H new ATOM 0 HD2 LYS A 107 10.069 -0.696 1.918 1.00 1.24 H new ATOM 0 HD3 LYS A 107 9.228 -0.216 0.457 1.00 1.24 H new ATOM 0 HE2 LYS A 107 10.652 -2.280 0.214 1.00 2.00 H new ATOM 0 HE3 LYS A 107 10.997 -1.016 -0.949 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 12.965 -2.103 0.156 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 12.946 -0.405 0.187 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 12.529 -1.284 1.579 1.00 2.84 H new ATOM 1724 N ILE A 108 9.495 4.396 -0.893 1.00 1.14 N ATOM 1725 CA ILE A 108 9.546 4.711 -2.317 1.00 1.20 C ATOM 1726 C ILE A 108 10.090 6.121 -2.578 1.00 1.36 C ATOM 1727 O ILE A 108 10.813 6.337 -3.550 1.00 1.39 O ATOM 1728 CB ILE A 108 8.153 4.577 -2.976 1.00 1.14 C ATOM 1729 CG1 ILE A 108 7.649 3.124 -2.918 1.00 1.21 C ATOM 1730 CG2 ILE A 108 8.203 5.061 -4.416 1.00 1.42 C ATOM 1731 CD1 ILE A 108 8.123 2.244 -4.063 1.00 1.07 C ATOM 0 H ILE A 108 8.622 4.661 -0.436 1.00 1.14 H new ATOM 0 HA ILE A 108 10.228 3.987 -2.763 1.00 1.20 H new ATOM 0 HB ILE A 108 7.454 5.199 -2.418 1.00 1.14 H new ATOM 0 HG12 ILE A 108 7.972 2.679 -1.977 1.00 1.21 H new ATOM 0 HG13 ILE A 108 6.559 3.131 -2.910 1.00 1.21 H new ATOM 0 HG21 ILE A 108 7.216 4.961 -4.868 1.00 1.42 H new ATOM 0 HG22 ILE A 108 8.508 6.107 -4.438 1.00 1.42 H new ATOM 0 HG23 ILE A 108 8.921 4.462 -4.976 1.00 1.42 H new ATOM 0 HD11 ILE A 108 7.720 1.239 -3.940 1.00 1.07 H new ATOM 0 HD12 ILE A 108 7.778 2.661 -5.009 1.00 1.07 H new ATOM 0 HD13 ILE A 108 9.212 2.201 -4.062 1.00 1.07 H new