USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1202 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: B 29 LYS NZ :NH3+ -161:sc= 0.902 (180deg=-0.00561) USER MOD Set 1.2: B 68 CYS SG : rot 180:sc= -0.626 USER MOD Set 2.1: A 81 THR OG1 : rot 82:sc= -0.32 USER MOD Set 2.2: B 7 MET CE :methyl -147:sc= -4.46! (180deg=-7.46!) USER MOD Set 2.3: B 74 MET CE :methyl -148:sc= -2.17! (180deg=-3.58!) USER MOD Set 3.1: A 7 MET CE :methyl -147:sc= -4.57! (180deg=-7.52!) USER MOD Set 3.2: A 74 MET CE :methyl -158:sc= -2.46 (180deg=-3.79!) USER MOD Set 3.3: B 81 THR OG1 : rot 86:sc= -0.346 USER MOD Set 4.1: A 29 LYS NZ :NH3+ -165:sc= 0.837 (180deg=-0.000794) USER MOD Set 4.2: A 68 CYS SG : rot 180:sc= -0.584 USER MOD Single : A 1 SER N :NH3+ -135:sc= 0.111 (180deg=0) USER MOD Single : A 1 SER OG : rot -140:sc= 1.66 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.146 K(o=-0.15,f=0.5) USER MOD Single : A 17 TYR OH : rot 130:sc= -3.15! USER MOD Single : A 18 SER OG : rot -54:sc= 0.0104 USER MOD Single : A 25 HIS : no HD1:sc= -0.276 K(o=-0.28,f=-1.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.9) USER MOD Single : A 38 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.49) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 152:sc= -0.58 (180deg=-2.41!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.17) USER MOD Single : A 78 SER OG : rot -12:sc= -0.669 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -74:sc= 0.972 USER MOD Single : B 1 SER N :NH3+ -137:sc= 0.124 (180deg=0) USER MOD Single : B 1 SER OG : rot -131:sc= 1.62 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= -0.0753 K(o=-0.075,f=0.53) USER MOD Single : B 17 TYR OH : rot 130:sc= -3.14! USER MOD Single : B 18 SER OG : rot -55:sc= 0.00949 USER MOD Single : B 25 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-1!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.93) USER MOD Single : B 38 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.1!) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.55) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 156:sc= -0.567 (180deg=-2.38!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.15) USER MOD Single : B 78 SER OG : rot -20:sc= -0.649 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -66:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 9.173 4.254 -13.119 1.00 0.00 N ATOM 21 CA SER A 1 9.616 2.918 -12.632 1.00 0.00 C ATOM 22 C SER A 1 8.391 2.037 -12.374 1.00 0.00 C ATOM 23 O SER A 1 7.271 2.420 -12.647 1.00 0.00 O ATOM 24 CB SER A 1 10.411 3.084 -11.337 1.00 0.00 C ATOM 25 OG SER A 1 9.511 3.241 -10.249 1.00 0.00 O ATOM 0 H1 SER A 1 9.758 4.539 -13.930 1.00 0.00 H new ATOM 0 H2 SER A 1 8.176 4.204 -13.412 1.00 0.00 H new ATOM 0 H3 SER A 1 9.275 4.953 -12.356 1.00 0.00 H new ATOM 0 HA SER A 1 10.248 2.448 -13.385 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.048 2.215 -11.174 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.067 3.951 -11.409 1.00 0.00 H new ATOM 0 HG SER A 1 9.855 3.923 -9.636 1.00 0.00 H new ATOM 31 N GLU A 2 8.597 0.858 -11.855 1.00 0.00 N ATOM 32 CA GLU A 2 7.447 -0.052 -11.588 1.00 0.00 C ATOM 33 C GLU A 2 6.756 0.346 -10.281 1.00 0.00 C ATOM 34 O GLU A 2 5.548 0.302 -10.169 1.00 0.00 O ATOM 35 CB GLU A 2 7.955 -1.490 -11.475 1.00 0.00 C ATOM 36 CG GLU A 2 6.843 -2.462 -11.870 1.00 0.00 C ATOM 37 CD GLU A 2 7.456 -3.802 -12.280 1.00 0.00 C ATOM 38 OE1 GLU A 2 7.904 -3.905 -13.411 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.468 -4.701 -11.457 1.00 0.00 O ATOM 0 H GLU A 2 9.513 0.485 -11.604 1.00 0.00 H new ATOM 0 HA GLU A 2 6.733 0.025 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.821 -1.632 -12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.282 -1.691 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.157 -2.605 -11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.261 -2.049 -12.694 1.00 0.00 H new ATOM 46 N LEU A 3 7.512 0.726 -9.289 1.00 0.00 N ATOM 47 CA LEU A 3 6.896 1.114 -7.987 1.00 0.00 C ATOM 48 C LEU A 3 6.326 2.527 -8.078 1.00 0.00 C ATOM 49 O LEU A 3 5.185 2.772 -7.747 1.00 0.00 O ATOM 50 CB LEU A 3 7.960 1.084 -6.893 1.00 0.00 C ATOM 51 CG LEU A 3 7.279 1.058 -5.526 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.514 -0.254 -5.366 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.338 1.171 -4.428 1.00 0.00 C ATOM 0 H LEU A 3 8.530 0.785 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 3 6.096 0.412 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.596 0.207 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.606 1.959 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 3 6.585 1.895 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.027 -0.275 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.761 -0.334 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.208 -1.091 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.853 1.153 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.032 0.334 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.884 2.107 -4.544 1.00 0.00 H new ATOM 65 N GLU A 4 7.119 3.460 -8.507 1.00 0.00 N ATOM 66 CA GLU A 4 6.632 4.864 -8.600 1.00 0.00 C ATOM 67 C GLU A 4 5.373 4.926 -9.470 1.00 0.00 C ATOM 68 O GLU A 4 4.487 5.721 -9.233 1.00 0.00 O ATOM 69 CB GLU A 4 7.723 5.740 -9.218 1.00 0.00 C ATOM 70 CG GLU A 4 7.205 7.169 -9.374 1.00 0.00 C ATOM 71 CD GLU A 4 7.020 7.486 -10.859 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.616 6.797 -11.671 1.00 0.00 O ATOM 73 OE2 GLU A 4 6.285 8.411 -11.159 1.00 0.00 O ATOM 0 H GLU A 4 8.086 3.315 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 4 6.392 5.226 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.612 5.731 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.018 5.341 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.258 7.283 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.907 7.872 -8.926 1.00 0.00 H new ATOM 80 N LYS A 5 5.284 4.105 -10.478 1.00 0.00 N ATOM 81 CA LYS A 5 4.081 4.137 -11.357 1.00 0.00 C ATOM 82 C LYS A 5 2.925 3.370 -10.703 1.00 0.00 C ATOM 83 O LYS A 5 1.825 3.871 -10.591 1.00 0.00 O ATOM 84 CB LYS A 5 4.420 3.501 -12.708 1.00 0.00 C ATOM 85 CG LYS A 5 3.647 4.212 -13.821 1.00 0.00 C ATOM 86 CD LYS A 5 4.435 5.435 -14.294 1.00 0.00 C ATOM 87 CE LYS A 5 4.100 5.727 -15.758 1.00 0.00 C ATOM 88 NZ LYS A 5 4.850 6.932 -16.212 1.00 0.00 N ATOM 0 H LYS A 5 5.990 3.414 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 5 3.777 5.173 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.492 3.570 -12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.166 2.441 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.480 3.530 -14.655 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.666 4.517 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.191 6.299 -13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.505 5.256 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.359 4.870 -16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.028 5.890 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.621 7.129 -17.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.582 7.749 -15.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.872 6.760 -16.119 1.00 0.00 H new ATOM 102 N ALA A 6 3.160 2.157 -10.282 1.00 0.00 N ATOM 103 CA ALA A 6 2.064 1.363 -9.651 1.00 0.00 C ATOM 104 C ALA A 6 1.769 1.891 -8.246 1.00 0.00 C ATOM 105 O ALA A 6 0.680 2.344 -7.957 1.00 0.00 O ATOM 106 CB ALA A 6 2.488 -0.102 -9.551 1.00 0.00 C ATOM 0 H ALA A 6 4.060 1.682 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 6 1.168 1.452 -10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.688 -0.682 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.690 -0.491 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.389 -0.179 -8.942 1.00 0.00 H new ATOM 112 N MET A 7 2.728 1.825 -7.370 1.00 0.00 N ATOM 113 CA MET A 7 2.509 2.309 -5.980 1.00 0.00 C ATOM 114 C MET A 7 1.803 3.662 -6.011 1.00 0.00 C ATOM 115 O MET A 7 0.844 3.889 -5.302 1.00 0.00 O ATOM 116 CB MET A 7 3.859 2.456 -5.278 1.00 0.00 C ATOM 117 CG MET A 7 3.635 2.919 -3.837 1.00 0.00 C ATOM 118 SD MET A 7 2.480 1.792 -3.016 1.00 0.00 S ATOM 119 CE MET A 7 2.296 2.727 -1.478 1.00 0.00 C ATOM 0 H MET A 7 3.660 1.455 -7.557 1.00 0.00 H new ATOM 0 HA MET A 7 1.890 1.592 -5.440 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.392 1.505 -5.287 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.482 3.175 -5.810 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.583 2.941 -3.299 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.239 3.934 -3.827 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.147 2.036 -0.648 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.195 3.318 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.435 3.391 -1.557 1.00 0.00 H new ATOM 129 N VAL A 8 2.276 4.566 -6.823 1.00 0.00 N ATOM 130 CA VAL A 8 1.638 5.910 -6.894 1.00 0.00 C ATOM 131 C VAL A 8 0.282 5.809 -7.595 1.00 0.00 C ATOM 132 O VAL A 8 -0.626 6.564 -7.313 1.00 0.00 O ATOM 133 CB VAL A 8 2.549 6.862 -7.671 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.954 8.269 -7.638 1.00 0.00 C ATOM 135 CG2 VAL A 8 3.933 6.883 -7.019 1.00 0.00 C ATOM 0 H VAL A 8 3.077 4.432 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 8 1.487 6.291 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 8 2.636 6.525 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.601 8.951 -8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.965 8.256 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.872 8.605 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.585 7.561 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.844 7.224 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.357 5.879 -7.034 1.00 0.00 H new ATOM 145 N ALA A 9 0.132 4.886 -8.505 1.00 0.00 N ATOM 146 CA ALA A 9 -1.171 4.747 -9.217 1.00 0.00 C ATOM 147 C ALA A 9 -2.279 4.444 -8.203 1.00 0.00 C ATOM 148 O ALA A 9 -3.278 5.130 -8.138 1.00 0.00 O ATOM 149 CB ALA A 9 -1.081 3.605 -10.229 1.00 0.00 C ATOM 0 H ALA A 9 0.854 4.223 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.400 5.677 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.034 3.504 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.294 3.821 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.851 2.675 -9.709 1.00 0.00 H new ATOM 155 N LEU A 10 -2.110 3.420 -7.412 1.00 0.00 N ATOM 156 CA LEU A 10 -3.151 3.073 -6.403 1.00 0.00 C ATOM 157 C LEU A 10 -3.472 4.323 -5.574 1.00 0.00 C ATOM 158 O LEU A 10 -4.618 4.603 -5.271 1.00 0.00 O ATOM 159 CB LEU A 10 -2.615 1.916 -5.526 1.00 0.00 C ATOM 160 CG LEU A 10 -3.006 2.065 -4.045 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.177 3.174 -3.408 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.496 2.393 -3.908 1.00 0.00 C ATOM 0 H LEU A 10 -1.294 2.807 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.074 2.741 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.999 0.969 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.529 1.875 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.811 1.121 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.454 3.279 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.118 2.924 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.364 4.113 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.751 2.494 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.712 3.328 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.087 1.590 -4.349 1.00 0.00 H new ATOM 174 N ILE A 11 -2.477 5.085 -5.212 1.00 0.00 N ATOM 175 CA ILE A 11 -2.752 6.314 -4.410 1.00 0.00 C ATOM 176 C ILE A 11 -3.608 7.258 -5.255 1.00 0.00 C ATOM 177 O ILE A 11 -4.488 7.938 -4.757 1.00 0.00 O ATOM 178 CB ILE A 11 -1.445 7.012 -4.010 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.293 6.004 -3.984 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.609 7.618 -2.614 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.918 6.619 -3.278 1.00 0.00 C ATOM 0 H ILE A 11 -1.496 4.914 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.277 6.039 -3.495 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.221 7.792 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.604 5.096 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.026 5.717 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.684 8.116 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.423 8.343 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.837 6.828 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.735 5.898 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.235 7.514 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.648 6.883 -2.256 1.00 0.00 H new ATOM 193 N ASP A 12 -3.371 7.287 -6.538 1.00 0.00 N ATOM 194 CA ASP A 12 -4.181 8.162 -7.421 1.00 0.00 C ATOM 195 C ASP A 12 -5.650 7.794 -7.242 1.00 0.00 C ATOM 196 O ASP A 12 -6.505 8.647 -7.111 1.00 0.00 O ATOM 197 CB ASP A 12 -3.766 7.944 -8.876 1.00 0.00 C ATOM 198 CG ASP A 12 -4.034 9.216 -9.681 1.00 0.00 C ATOM 199 OD1 ASP A 12 -3.929 10.288 -9.109 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.339 9.098 -10.857 1.00 0.00 O ATOM 0 H ASP A 12 -2.650 6.741 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.024 9.209 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.709 7.684 -8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.321 7.108 -9.302 1.00 0.00 H new ATOM 205 N VAL A 13 -5.951 6.522 -7.215 1.00 0.00 N ATOM 206 CA VAL A 13 -7.366 6.107 -7.019 1.00 0.00 C ATOM 207 C VAL A 13 -7.935 6.906 -5.848 1.00 0.00 C ATOM 208 O VAL A 13 -9.044 7.400 -5.898 1.00 0.00 O ATOM 209 CB VAL A 13 -7.434 4.607 -6.704 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.780 4.271 -6.060 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.290 3.803 -7.997 1.00 0.00 C ATOM 0 H VAL A 13 -5.282 5.759 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.942 6.296 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.626 4.354 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.821 3.204 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.893 4.838 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.586 4.531 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.339 2.738 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.097 4.066 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.331 4.031 -8.463 1.00 0.00 H new ATOM 221 N PHE A 14 -7.176 7.046 -4.795 1.00 0.00 N ATOM 222 CA PHE A 14 -7.672 7.826 -3.628 1.00 0.00 C ATOM 223 C PHE A 14 -8.248 9.149 -4.128 1.00 0.00 C ATOM 224 O PHE A 14 -9.349 9.528 -3.783 1.00 0.00 O ATOM 225 CB PHE A 14 -6.519 8.106 -2.664 1.00 0.00 C ATOM 226 CG PHE A 14 -7.053 8.806 -1.437 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.812 8.094 -0.500 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.794 10.166 -1.238 1.00 0.00 C ATOM 229 CE1 PHE A 14 -8.311 8.742 0.637 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.293 10.814 -0.102 1.00 0.00 C ATOM 231 CZ PHE A 14 -8.052 10.103 0.836 1.00 0.00 C ATOM 0 H PHE A 14 -6.239 6.656 -4.693 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.442 7.256 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.032 7.173 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.765 8.725 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.013 7.044 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.209 10.716 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.895 8.192 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.092 11.864 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.437 10.604 1.712 1.00 0.00 H new ATOM 241 N HIS A 15 -7.511 9.853 -4.945 1.00 0.00 N ATOM 242 CA HIS A 15 -8.021 11.150 -5.474 1.00 0.00 C ATOM 243 C HIS A 15 -9.310 10.906 -6.263 1.00 0.00 C ATOM 244 O HIS A 15 -10.224 11.705 -6.238 1.00 0.00 O ATOM 245 CB HIS A 15 -6.971 11.776 -6.394 1.00 0.00 C ATOM 246 CG HIS A 15 -7.532 13.024 -7.021 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.789 13.118 -8.380 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.889 14.238 -6.488 1.00 0.00 C ATOM 249 CE1 HIS A 15 -8.278 14.349 -8.617 1.00 0.00 C ATOM 250 NE2 HIS A 15 -8.359 15.072 -7.497 1.00 0.00 N ATOM 0 H HIS A 15 -6.581 9.587 -5.268 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.224 11.826 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.071 12.014 -5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.681 11.066 -7.169 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.816 14.505 -5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.569 14.708 -9.593 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.694 16.031 -7.402 1.00 0.00 H new ATOM 258 N GLN A 16 -9.391 9.805 -6.960 1.00 0.00 N ATOM 259 CA GLN A 16 -10.622 9.509 -7.748 1.00 0.00 C ATOM 260 C GLN A 16 -11.841 9.569 -6.827 1.00 0.00 C ATOM 261 O GLN A 16 -12.804 10.258 -7.098 1.00 0.00 O ATOM 262 CB GLN A 16 -10.512 8.108 -8.355 1.00 0.00 C ATOM 263 CG GLN A 16 -11.437 8.001 -9.569 1.00 0.00 C ATOM 264 CD GLN A 16 -10.760 7.158 -10.653 1.00 0.00 C ATOM 265 OE1 GLN A 16 -10.043 7.678 -11.484 1.00 0.00 O ATOM 266 NE2 GLN A 16 -10.960 5.869 -10.678 1.00 0.00 N ATOM 0 H GLN A 16 -8.658 9.098 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.731 10.244 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.482 7.909 -8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.781 7.357 -7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.385 7.547 -9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.665 8.995 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.562 5.433 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.514 5.298 -11.396 1.00 0.00 H new ATOM 275 N TYR A 17 -11.806 8.851 -5.738 1.00 0.00 N ATOM 276 CA TYR A 17 -12.961 8.867 -4.796 1.00 0.00 C ATOM 277 C TYR A 17 -12.788 10.013 -3.795 1.00 0.00 C ATOM 278 O TYR A 17 -13.613 10.220 -2.927 1.00 0.00 O ATOM 279 CB TYR A 17 -13.019 7.537 -4.042 1.00 0.00 C ATOM 280 CG TYR A 17 -13.108 6.398 -5.030 1.00 0.00 C ATOM 281 CD1 TYR A 17 -14.335 6.083 -5.627 1.00 0.00 C ATOM 282 CD2 TYR A 17 -11.964 5.656 -5.349 1.00 0.00 C ATOM 283 CE1 TYR A 17 -14.416 5.026 -6.542 1.00 0.00 C ATOM 284 CE2 TYR A 17 -12.046 4.600 -6.263 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.272 4.284 -6.860 1.00 0.00 C ATOM 286 OH TYR A 17 -13.352 3.243 -7.762 1.00 0.00 O ATOM 0 H TYR A 17 -11.027 8.254 -5.460 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.885 9.010 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.133 7.422 -3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.882 7.522 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.218 6.655 -5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.018 5.899 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.362 4.783 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.163 4.028 -6.508 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.648 3.340 -8.437 1.00 0.00 H new ATOM 296 N SER A 18 -11.724 10.759 -3.908 1.00 0.00 N ATOM 297 CA SER A 18 -11.501 11.889 -2.964 1.00 0.00 C ATOM 298 C SER A 18 -11.181 13.156 -3.758 1.00 0.00 C ATOM 299 O SER A 18 -10.516 14.051 -3.275 1.00 0.00 O ATOM 300 CB SER A 18 -10.331 11.556 -2.040 1.00 0.00 C ATOM 301 OG SER A 18 -10.446 12.315 -0.843 1.00 0.00 O ATOM 0 H SER A 18 -10.999 10.634 -4.614 1.00 0.00 H new ATOM 0 HA SER A 18 -12.399 12.050 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.327 10.491 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.386 11.779 -2.536 1.00 0.00 H new ATOM 0 HG SER A 18 -10.524 13.266 -1.065 1.00 0.00 H new ATOM 394 N HIS A 25 -8.681 15.684 0.389 1.00 0.00 N ATOM 395 CA HIS A 25 -7.648 14.832 1.043 1.00 0.00 C ATOM 396 C HIS A 25 -8.291 14.049 2.190 1.00 0.00 C ATOM 397 O HIS A 25 -7.644 13.711 3.162 1.00 0.00 O ATOM 398 CB HIS A 25 -6.515 15.702 1.604 1.00 0.00 C ATOM 399 CG HIS A 25 -6.587 17.095 1.033 1.00 0.00 C ATOM 400 ND1 HIS A 25 -7.506 18.028 1.483 1.00 0.00 N ATOM 401 CD2 HIS A 25 -5.860 17.725 0.053 1.00 0.00 C ATOM 402 CE1 HIS A 25 -7.311 19.160 0.781 1.00 0.00 C ATOM 403 NE2 HIS A 25 -6.319 19.029 -0.104 1.00 0.00 N ATOM 0 HA HIS A 25 -7.237 14.145 0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.585 15.744 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.551 15.253 1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.055 17.277 -0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.886 20.064 0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.972 19.734 -0.755 1.00 0.00 H new ATOM 411 N LYS A 26 -9.559 13.760 2.090 1.00 0.00 N ATOM 412 CA LYS A 26 -10.235 13.001 3.180 1.00 0.00 C ATOM 413 C LYS A 26 -11.323 12.107 2.588 1.00 0.00 C ATOM 414 O LYS A 26 -12.172 12.552 1.841 1.00 0.00 O ATOM 415 CB LYS A 26 -10.865 13.981 4.173 1.00 0.00 C ATOM 416 CG LYS A 26 -11.624 15.068 3.410 1.00 0.00 C ATOM 417 CD LYS A 26 -11.261 16.438 3.984 1.00 0.00 C ATOM 418 CE LYS A 26 -11.608 16.476 5.474 1.00 0.00 C ATOM 419 NZ LYS A 26 -10.466 17.053 6.236 1.00 0.00 N ATOM 0 H LYS A 26 -10.155 14.016 1.303 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.500 12.382 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.543 13.451 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.092 14.432 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.372 15.027 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.698 14.901 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.198 16.633 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.803 17.221 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.505 17.074 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.827 15.470 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.702 17.079 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.620 16.465 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.277 18.019 5.900 1.00 0.00 H new ATOM 433 N LEU A 27 -11.304 10.848 2.923 1.00 0.00 N ATOM 434 CA LEU A 27 -12.335 9.916 2.392 1.00 0.00 C ATOM 435 C LEU A 27 -13.249 9.480 3.542 1.00 0.00 C ATOM 436 O LEU A 27 -13.355 10.154 4.546 1.00 0.00 O ATOM 437 CB LEU A 27 -11.643 8.695 1.779 1.00 0.00 C ATOM 438 CG LEU A 27 -11.894 8.667 0.269 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.409 7.336 -0.306 1.00 0.00 C ATOM 440 CD2 LEU A 27 -13.392 8.822 -0.004 1.00 0.00 C ATOM 0 H LEU A 27 -10.616 10.423 3.544 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.930 10.410 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.572 8.733 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.021 7.781 2.238 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.351 9.486 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.588 7.317 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.342 7.224 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.951 6.517 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.570 8.802 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.935 8.003 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.740 9.771 0.404 1.00 0.00 H new ATOM 452 N LYS A 28 -13.912 8.364 3.410 1.00 0.00 N ATOM 453 CA LYS A 28 -14.812 7.906 4.504 1.00 0.00 C ATOM 454 C LYS A 28 -14.704 6.388 4.657 1.00 0.00 C ATOM 455 O LYS A 28 -14.053 5.720 3.877 1.00 0.00 O ATOM 456 CB LYS A 28 -16.254 8.283 4.166 1.00 0.00 C ATOM 457 CG LYS A 28 -16.483 9.762 4.479 1.00 0.00 C ATOM 458 CD LYS A 28 -17.744 10.246 3.764 1.00 0.00 C ATOM 459 CE LYS A 28 -18.968 9.954 4.634 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.142 9.671 3.761 1.00 0.00 N ATOM 0 H LYS A 28 -13.869 7.752 2.595 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.519 8.384 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.454 8.088 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.946 7.668 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.585 9.905 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.623 10.350 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.674 11.315 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.842 9.747 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.771 9.101 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.179 10.806 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.974 9.472 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.334 10.497 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.938 8.846 3.162 1.00 0.00 H new ATOM 474 N LYS A 29 -15.337 5.838 5.658 1.00 0.00 N ATOM 475 CA LYS A 29 -15.271 4.364 5.865 1.00 0.00 C ATOM 476 C LYS A 29 -16.144 3.659 4.826 1.00 0.00 C ATOM 477 O LYS A 29 -15.854 2.558 4.405 1.00 0.00 O ATOM 478 CB LYS A 29 -15.773 4.026 7.269 1.00 0.00 C ATOM 479 CG LYS A 29 -15.044 4.895 8.294 1.00 0.00 C ATOM 480 CD LYS A 29 -13.537 4.819 8.047 1.00 0.00 C ATOM 481 CE LYS A 29 -12.789 5.261 9.306 1.00 0.00 C ATOM 482 NZ LYS A 29 -11.843 4.189 9.724 1.00 0.00 N ATOM 0 H LYS A 29 -15.897 6.347 6.342 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.240 4.028 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.848 4.194 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.602 2.971 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.384 5.928 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.275 4.556 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.253 3.801 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.263 5.456 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.245 6.186 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.497 5.469 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.525 4.367 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.321 3.267 9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.021 4.184 9.087 1.00 0.00 H new ATOM 496 N SER A 30 -17.213 4.281 4.409 1.00 0.00 N ATOM 497 CA SER A 30 -18.099 3.639 3.398 1.00 0.00 C ATOM 498 C SER A 30 -17.420 3.674 2.028 1.00 0.00 C ATOM 499 O SER A 30 -17.671 2.841 1.180 1.00 0.00 O ATOM 500 CB SER A 30 -19.428 4.392 3.330 1.00 0.00 C ATOM 501 OG SER A 30 -20.270 3.770 2.370 1.00 0.00 O ATOM 0 H SER A 30 -17.510 5.204 4.724 1.00 0.00 H new ATOM 0 HA SER A 30 -18.284 2.604 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.910 4.392 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.256 5.434 3.059 1.00 0.00 H new ATOM 0 HG SER A 30 -21.124 4.249 2.325 1.00 0.00 H new ATOM 507 N GLU A 31 -16.554 4.624 1.803 1.00 0.00 N ATOM 508 CA GLU A 31 -15.858 4.694 0.490 1.00 0.00 C ATOM 509 C GLU A 31 -14.609 3.822 0.558 1.00 0.00 C ATOM 510 O GLU A 31 -14.074 3.406 -0.448 1.00 0.00 O ATOM 511 CB GLU A 31 -15.462 6.140 0.185 1.00 0.00 C ATOM 512 CG GLU A 31 -15.156 6.278 -1.308 1.00 0.00 C ATOM 513 CD GLU A 31 -15.965 7.437 -1.891 1.00 0.00 C ATOM 514 OE1 GLU A 31 -15.465 8.549 -1.878 1.00 0.00 O ATOM 515 OE2 GLU A 31 -17.071 7.193 -2.342 1.00 0.00 O ATOM 0 H GLU A 31 -16.300 5.352 2.470 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.520 4.340 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.269 6.817 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.589 6.422 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.091 6.454 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.402 5.352 -1.827 1.00 0.00 H new ATOM 522 N LEU A 32 -14.152 3.529 1.744 1.00 0.00 N ATOM 523 CA LEU A 32 -12.954 2.661 1.885 1.00 0.00 C ATOM 524 C LEU A 32 -13.406 1.208 1.740 1.00 0.00 C ATOM 525 O LEU A 32 -12.735 0.388 1.146 1.00 0.00 O ATOM 526 CB LEU A 32 -12.324 2.874 3.263 1.00 0.00 C ATOM 527 CG LEU A 32 -11.342 1.740 3.558 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.375 1.584 2.382 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.554 2.066 4.828 1.00 0.00 C ATOM 0 H LEU A 32 -14.558 3.854 2.621 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.214 2.905 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.807 3.833 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.100 2.905 4.028 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.892 0.810 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.675 0.776 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.937 1.352 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.824 2.513 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.854 1.258 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.003 2.996 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.243 2.177 5.665 1.00 0.00 H new ATOM 541 N LYS A 33 -14.555 0.898 2.274 1.00 0.00 N ATOM 542 CA LYS A 33 -15.091 -0.487 2.173 1.00 0.00 C ATOM 543 C LYS A 33 -15.343 -0.805 0.703 1.00 0.00 C ATOM 544 O LYS A 33 -15.132 -1.909 0.243 1.00 0.00 O ATOM 545 CB LYS A 33 -16.410 -0.562 2.940 1.00 0.00 C ATOM 546 CG LYS A 33 -16.655 -1.999 3.404 1.00 0.00 C ATOM 547 CD LYS A 33 -18.158 -2.280 3.419 1.00 0.00 C ATOM 548 CE LYS A 33 -18.399 -3.778 3.231 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.298 -3.993 2.063 1.00 0.00 N ATOM 0 H LYS A 33 -15.151 1.553 2.781 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.381 -1.201 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.381 0.108 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.231 -0.230 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.150 -2.699 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.236 -2.148 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.592 -1.947 4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.651 -1.719 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.451 -4.293 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.846 -4.201 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.462 -5.012 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.206 -3.514 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.854 -3.603 1.207 1.00 0.00 H new ATOM 563 N GLU A 34 -15.786 0.170 -0.034 1.00 0.00 N ATOM 564 CA GLU A 34 -16.053 -0.040 -1.481 1.00 0.00 C ATOM 565 C GLU A 34 -14.724 -0.003 -2.227 1.00 0.00 C ATOM 566 O GLU A 34 -14.485 -0.746 -3.152 1.00 0.00 O ATOM 567 CB GLU A 34 -16.982 1.076 -1.984 1.00 0.00 C ATOM 568 CG GLU A 34 -16.183 2.338 -2.328 1.00 0.00 C ATOM 569 CD GLU A 34 -17.084 3.322 -3.076 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.175 2.926 -3.451 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.670 4.454 -3.260 1.00 0.00 O ATOM 0 H GLU A 34 -15.977 1.112 0.307 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.535 -1.003 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.525 0.733 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.725 1.308 -1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.800 2.799 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.320 2.079 -2.942 1.00 0.00 H new ATOM 578 N LEU A 35 -13.860 0.866 -1.809 1.00 0.00 N ATOM 579 CA LEU A 35 -12.527 0.982 -2.457 1.00 0.00 C ATOM 580 C LEU A 35 -11.914 -0.412 -2.603 1.00 0.00 C ATOM 581 O LEU A 35 -11.445 -0.792 -3.658 1.00 0.00 O ATOM 582 CB LEU A 35 -11.627 1.845 -1.568 1.00 0.00 C ATOM 583 CG LEU A 35 -10.682 2.672 -2.437 1.00 0.00 C ATOM 584 CD1 LEU A 35 -9.782 1.738 -3.246 1.00 0.00 C ATOM 585 CD2 LEU A 35 -11.498 3.545 -3.390 1.00 0.00 C ATOM 0 H LEU A 35 -14.019 1.512 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.625 1.437 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.236 2.503 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.053 1.211 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.066 3.307 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.108 2.329 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.199 1.116 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.397 1.102 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.824 4.135 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.115 2.911 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.139 4.213 -2.814 1.00 0.00 H new ATOM 597 N ILE A 36 -11.902 -1.167 -1.540 1.00 0.00 N ATOM 598 CA ILE A 36 -11.308 -2.535 -1.590 1.00 0.00 C ATOM 599 C ILE A 36 -12.311 -3.547 -2.159 1.00 0.00 C ATOM 600 O ILE A 36 -12.003 -4.302 -3.060 1.00 0.00 O ATOM 601 CB ILE A 36 -10.905 -2.973 -0.177 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.677 -1.736 0.711 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.623 -3.806 -0.258 1.00 0.00 C ATOM 604 CD1 ILE A 36 -9.763 -2.085 1.890 1.00 0.00 C ATOM 0 H ILE A 36 -12.280 -0.895 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.432 -2.503 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.702 -3.574 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.231 -0.935 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.633 -1.365 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.330 -4.121 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.799 -4.685 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.826 -3.206 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.612 -1.200 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.225 -2.870 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.801 -2.433 1.514 1.00 0.00 H new ATOM 616 N ASN A 37 -13.494 -3.594 -1.609 1.00 0.00 N ATOM 617 CA ASN A 37 -14.511 -4.585 -2.079 1.00 0.00 C ATOM 618 C ASN A 37 -15.080 -4.199 -3.448 1.00 0.00 C ATOM 619 O ASN A 37 -15.974 -4.847 -3.954 1.00 0.00 O ATOM 620 CB ASN A 37 -15.654 -4.629 -1.070 1.00 0.00 C ATOM 621 CG ASN A 37 -16.624 -5.751 -1.443 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.408 -6.896 -1.098 1.00 0.00 O ATOM 623 ND2 ASN A 37 -17.690 -5.470 -2.140 1.00 0.00 N ATOM 0 H ASN A 37 -13.804 -2.987 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.027 -5.557 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.261 -4.793 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.177 -3.673 -1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.342 -6.211 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.871 -4.509 -2.430 1.00 0.00 H new ATOM 630 N ASN A 38 -14.588 -3.160 -4.053 1.00 0.00 N ATOM 631 CA ASN A 38 -15.133 -2.761 -5.384 1.00 0.00 C ATOM 632 C ASN A 38 -14.025 -2.795 -6.440 1.00 0.00 C ATOM 633 O ASN A 38 -13.980 -3.674 -7.276 1.00 0.00 O ATOM 634 CB ASN A 38 -15.718 -1.349 -5.298 1.00 0.00 C ATOM 635 CG ASN A 38 -16.624 -1.096 -6.504 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.092 -2.024 -7.133 1.00 0.00 O ATOM 637 ND2 ASN A 38 -16.894 0.131 -6.853 1.00 0.00 N ATOM 0 H ASN A 38 -13.838 -2.571 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.917 -3.463 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.285 -1.235 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.915 -0.612 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -17.498 0.312 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.501 0.910 -6.325 1.00 0.00 H new ATOM 644 N GLU A 39 -13.135 -1.842 -6.417 1.00 0.00 N ATOM 645 CA GLU A 39 -12.042 -1.824 -7.431 1.00 0.00 C ATOM 646 C GLU A 39 -11.156 -3.059 -7.259 1.00 0.00 C ATOM 647 O GLU A 39 -10.756 -3.683 -8.223 1.00 0.00 O ATOM 648 CB GLU A 39 -11.199 -0.561 -7.250 1.00 0.00 C ATOM 649 CG GLU A 39 -11.958 0.643 -7.808 1.00 0.00 C ATOM 650 CD GLU A 39 -13.316 0.757 -7.115 1.00 0.00 C ATOM 651 OE1 GLU A 39 -13.333 1.059 -5.932 1.00 0.00 O ATOM 652 OE2 GLU A 39 -14.317 0.542 -7.777 1.00 0.00 O ATOM 0 H GLU A 39 -13.116 -1.077 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.478 -1.831 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.977 -0.407 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.244 -0.672 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.381 1.554 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.095 0.533 -8.884 1.00 0.00 H new ATOM 659 N LEU A 40 -10.844 -3.419 -6.044 1.00 0.00 N ATOM 660 CA LEU A 40 -9.982 -4.614 -5.826 1.00 0.00 C ATOM 661 C LEU A 40 -10.809 -5.888 -6.065 1.00 0.00 C ATOM 662 O LEU A 40 -10.865 -6.381 -7.174 1.00 0.00 O ATOM 663 CB LEU A 40 -9.414 -4.576 -4.400 1.00 0.00 C ATOM 664 CG LEU A 40 -8.078 -5.319 -4.360 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.223 -4.766 -3.217 1.00 0.00 C ATOM 666 CD2 LEU A 40 -8.332 -6.810 -4.129 1.00 0.00 C ATOM 0 H LEU A 40 -11.147 -2.939 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.147 -4.612 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.277 -3.543 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.118 -5.035 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.555 -5.181 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.270 -5.294 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.044 -3.703 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.746 -4.906 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.381 -7.341 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.853 -6.948 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.943 -7.205 -4.940 1.00 0.00 H new ATOM 678 N SER A 41 -11.462 -6.411 -5.050 1.00 0.00 N ATOM 679 CA SER A 41 -12.298 -7.642 -5.218 1.00 0.00 C ATOM 680 C SER A 41 -11.716 -8.559 -6.298 1.00 0.00 C ATOM 681 O SER A 41 -11.982 -8.394 -7.472 1.00 0.00 O ATOM 682 CB SER A 41 -13.716 -7.235 -5.615 1.00 0.00 C ATOM 683 OG SER A 41 -14.603 -8.314 -5.359 1.00 0.00 O ATOM 0 H SER A 41 -11.449 -6.031 -4.103 1.00 0.00 H new ATOM 0 HA SER A 41 -12.309 -8.185 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.025 -6.354 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.747 -6.966 -6.671 1.00 0.00 H new ATOM 0 HG SER A 41 -15.514 -8.055 -5.611 1.00 0.00 H new ATOM 689 N HIS A 42 -10.931 -9.531 -5.919 1.00 0.00 N ATOM 690 CA HIS A 42 -10.351 -10.450 -6.938 1.00 0.00 C ATOM 691 C HIS A 42 -9.623 -11.602 -6.244 1.00 0.00 C ATOM 692 O HIS A 42 -9.913 -12.759 -6.474 1.00 0.00 O ATOM 693 CB HIS A 42 -9.363 -9.682 -7.817 1.00 0.00 C ATOM 694 CG HIS A 42 -9.396 -10.243 -9.212 1.00 0.00 C ATOM 695 ND1 HIS A 42 -9.940 -11.485 -9.495 1.00 0.00 N ATOM 696 CD2 HIS A 42 -8.959 -9.743 -10.415 1.00 0.00 C ATOM 697 CE1 HIS A 42 -9.817 -11.690 -10.819 1.00 0.00 C ATOM 698 NE2 HIS A 42 -9.226 -10.658 -11.428 1.00 0.00 N ATOM 0 H HIS A 42 -10.668 -9.727 -4.953 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.155 -10.851 -7.555 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.620 -8.623 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -8.357 -9.759 -7.406 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.481 -8.785 -10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.155 -12.581 -11.328 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -9.016 -10.562 -12.421 1.00 0.00 H new ATOM 706 N PHE A 43 -8.677 -11.298 -5.401 1.00 0.00 N ATOM 707 CA PHE A 43 -7.930 -12.379 -4.700 1.00 0.00 C ATOM 708 C PHE A 43 -8.725 -12.847 -3.477 1.00 0.00 C ATOM 709 O PHE A 43 -8.325 -13.754 -2.776 1.00 0.00 O ATOM 710 CB PHE A 43 -6.570 -11.846 -4.253 1.00 0.00 C ATOM 711 CG PHE A 43 -6.029 -10.904 -5.302 1.00 0.00 C ATOM 712 CD1 PHE A 43 -5.649 -11.396 -6.558 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.908 -9.539 -5.021 1.00 0.00 C ATOM 714 CE1 PHE A 43 -5.148 -10.524 -7.532 1.00 0.00 C ATOM 715 CE2 PHE A 43 -5.407 -8.666 -5.995 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.027 -9.158 -7.250 1.00 0.00 C ATOM 0 H PHE A 43 -8.389 -10.348 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.788 -13.220 -5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.666 -11.328 -3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.876 -12.673 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.743 -12.450 -6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.201 -9.159 -4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.855 -10.904 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.314 -7.612 -5.778 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.641 -8.484 -8.000 1.00 0.00 H new ATOM 726 N LEU A 44 -9.849 -12.237 -3.216 1.00 0.00 N ATOM 727 CA LEU A 44 -10.664 -12.651 -2.038 1.00 0.00 C ATOM 728 C LEU A 44 -11.314 -14.007 -2.316 1.00 0.00 C ATOM 729 O LEU A 44 -12.322 -14.098 -2.987 1.00 0.00 O ATOM 730 CB LEU A 44 -11.751 -11.607 -1.777 1.00 0.00 C ATOM 731 CG LEU A 44 -11.410 -10.825 -0.509 1.00 0.00 C ATOM 732 CD1 LEU A 44 -11.260 -9.341 -0.849 1.00 0.00 C ATOM 733 CD2 LEU A 44 -12.533 -11.001 0.517 1.00 0.00 C ATOM 0 H LEU A 44 -10.238 -11.471 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.020 -12.731 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.830 -10.928 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.720 -12.094 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.475 -11.199 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.017 -8.783 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.461 -9.214 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.195 -8.967 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.290 -10.443 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.468 -10.627 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.641 -12.058 0.760 1.00 0.00 H new ATOM 745 N GLU A 45 -10.744 -15.063 -1.803 1.00 0.00 N ATOM 746 CA GLU A 45 -11.327 -16.416 -2.036 1.00 0.00 C ATOM 747 C GLU A 45 -11.509 -17.121 -0.693 1.00 0.00 C ATOM 748 O GLU A 45 -12.609 -17.439 -0.287 1.00 0.00 O ATOM 749 CB GLU A 45 -10.390 -17.246 -2.923 1.00 0.00 C ATOM 750 CG GLU A 45 -9.468 -16.322 -3.724 1.00 0.00 C ATOM 751 CD GLU A 45 -8.728 -17.135 -4.790 1.00 0.00 C ATOM 752 OE1 GLU A 45 -7.980 -18.022 -4.416 1.00 0.00 O ATOM 753 OE2 GLU A 45 -8.924 -16.855 -5.961 1.00 0.00 O ATOM 0 H GLU A 45 -9.899 -15.048 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.290 -16.312 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.796 -17.920 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.975 -17.867 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.050 -15.530 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.753 -15.839 -3.058 1.00 0.00 H new ATOM 760 N GLU A 46 -10.434 -17.364 -0.001 1.00 0.00 N ATOM 761 CA GLU A 46 -10.530 -18.045 1.321 1.00 0.00 C ATOM 762 C GLU A 46 -10.009 -17.106 2.409 1.00 0.00 C ATOM 763 O GLU A 46 -10.406 -17.186 3.556 1.00 0.00 O ATOM 764 CB GLU A 46 -9.686 -19.322 1.302 1.00 0.00 C ATOM 765 CG GLU A 46 -8.235 -18.971 0.973 1.00 0.00 C ATOM 766 CD GLU A 46 -7.476 -20.242 0.589 1.00 0.00 C ATOM 767 OE1 GLU A 46 -7.065 -20.957 1.487 1.00 0.00 O ATOM 768 OE2 GLU A 46 -7.320 -20.478 -0.598 1.00 0.00 O ATOM 0 H GLU A 46 -9.488 -17.120 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.569 -18.303 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.740 -19.820 2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.079 -20.019 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.200 -18.253 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.761 -18.497 1.832 1.00 0.00 H new ATOM 775 N ILE A 47 -9.124 -16.216 2.058 1.00 0.00 N ATOM 776 CA ILE A 47 -8.579 -15.269 3.071 1.00 0.00 C ATOM 777 C ILE A 47 -7.764 -16.040 4.111 1.00 0.00 C ATOM 778 O ILE A 47 -8.293 -16.828 4.869 1.00 0.00 O ATOM 779 CB ILE A 47 -9.736 -14.548 3.764 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.670 -13.955 2.708 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.185 -13.426 4.644 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.110 -14.376 3.008 1.00 0.00 C ATOM 0 H ILE A 47 -8.754 -16.103 1.114 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.936 -14.540 2.577 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.287 -15.256 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.590 -12.868 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.379 -14.298 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.010 -12.912 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.518 -13.848 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.634 -12.717 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.777 -13.954 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.183 -15.463 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.398 -14.011 3.994 1.00 0.00 H new ATOM 794 N LYS A 48 -6.479 -15.816 4.158 1.00 0.00 N ATOM 795 CA LYS A 48 -5.636 -16.532 5.154 1.00 0.00 C ATOM 796 C LYS A 48 -5.564 -15.705 6.439 1.00 0.00 C ATOM 797 O LYS A 48 -5.660 -16.226 7.533 1.00 0.00 O ATOM 798 CB LYS A 48 -4.226 -16.726 4.589 1.00 0.00 C ATOM 799 CG LYS A 48 -3.549 -17.903 5.296 1.00 0.00 C ATOM 800 CD LYS A 48 -2.550 -17.375 6.326 1.00 0.00 C ATOM 801 CE LYS A 48 -1.219 -18.112 6.172 1.00 0.00 C ATOM 802 NZ LYS A 48 -0.110 -17.121 6.080 1.00 0.00 N ATOM 0 H LYS A 48 -5.978 -15.168 3.550 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.073 -17.507 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.275 -16.912 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.639 -15.818 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.298 -18.526 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.038 -18.533 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.402 -16.304 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.941 -17.516 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.058 -18.776 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.238 -18.736 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.795 -17.622 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.262 -16.505 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.088 -16.543 6.945 1.00 0.00 H new ATOM 816 N GLU A 49 -5.402 -14.417 6.314 1.00 0.00 N ATOM 817 CA GLU A 49 -5.332 -13.552 7.525 1.00 0.00 C ATOM 818 C GLU A 49 -6.744 -13.121 7.922 1.00 0.00 C ATOM 819 O GLU A 49 -7.073 -11.951 7.912 1.00 0.00 O ATOM 820 CB GLU A 49 -4.488 -12.313 7.216 1.00 0.00 C ATOM 821 CG GLU A 49 -3.041 -12.560 7.643 1.00 0.00 C ATOM 822 CD GLU A 49 -2.962 -12.620 9.170 1.00 0.00 C ATOM 823 OE1 GLU A 49 -3.720 -11.911 9.811 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.146 -13.374 9.672 1.00 0.00 O ATOM 0 H GLU A 49 -5.315 -13.925 5.424 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.877 -14.107 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.530 -12.088 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.890 -11.446 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.678 -13.493 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.399 -11.764 7.266 1.00 0.00 H new ATOM 831 N GLN A 50 -7.585 -14.056 8.268 1.00 0.00 N ATOM 832 CA GLN A 50 -8.976 -13.700 8.661 1.00 0.00 C ATOM 833 C GLN A 50 -8.943 -12.570 9.692 1.00 0.00 C ATOM 834 O GLN A 50 -9.900 -11.842 9.858 1.00 0.00 O ATOM 835 CB GLN A 50 -9.664 -14.923 9.270 1.00 0.00 C ATOM 836 CG GLN A 50 -11.173 -14.685 9.324 1.00 0.00 C ATOM 837 CD GLN A 50 -11.856 -15.871 10.009 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.939 -15.923 11.220 1.00 0.00 O ATOM 839 NE2 GLN A 50 -12.351 -16.832 9.279 1.00 0.00 N ATOM 0 H GLN A 50 -7.368 -15.052 8.295 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.528 -13.373 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.446 -15.810 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.278 -15.109 10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.387 -13.765 9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.568 -14.558 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.281 -16.788 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.808 -17.627 9.725 1.00 0.00 H new ATOM 848 N GLU A 51 -7.849 -12.419 10.387 1.00 0.00 N ATOM 849 CA GLU A 51 -7.757 -11.337 11.407 1.00 0.00 C ATOM 850 C GLU A 51 -7.484 -9.998 10.716 1.00 0.00 C ATOM 851 O GLU A 51 -8.049 -8.982 11.070 1.00 0.00 O ATOM 852 CB GLU A 51 -6.617 -11.650 12.379 1.00 0.00 C ATOM 853 CG GLU A 51 -6.823 -10.869 13.679 1.00 0.00 C ATOM 854 CD GLU A 51 -5.561 -10.965 14.537 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.093 -12.073 14.745 1.00 0.00 O ATOM 856 OE2 GLU A 51 -5.085 -9.931 14.972 1.00 0.00 O ATOM 0 H GLU A 51 -7.015 -12.998 10.292 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.698 -11.275 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.586 -12.720 12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.660 -11.384 11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.046 -9.825 13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.678 -11.269 14.224 1.00 0.00 H new ATOM 863 N VAL A 52 -6.621 -9.985 9.736 1.00 0.00 N ATOM 864 CA VAL A 52 -6.316 -8.709 9.030 1.00 0.00 C ATOM 865 C VAL A 52 -7.584 -8.174 8.363 1.00 0.00 C ATOM 866 O VAL A 52 -7.985 -7.049 8.584 1.00 0.00 O ATOM 867 CB VAL A 52 -5.249 -8.955 7.960 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.077 -7.695 7.112 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.921 -9.295 8.635 1.00 0.00 C ATOM 0 H VAL A 52 -6.115 -10.802 9.395 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.948 -7.980 9.752 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.558 -9.784 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.317 -7.870 6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.023 -7.448 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.767 -6.867 7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.161 -9.470 7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.613 -8.465 9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.041 -10.192 9.242 1.00 0.00 H new ATOM 879 N VAL A 53 -8.213 -8.969 7.544 1.00 0.00 N ATOM 880 CA VAL A 53 -9.452 -8.503 6.860 1.00 0.00 C ATOM 881 C VAL A 53 -10.559 -8.291 7.891 1.00 0.00 C ATOM 882 O VAL A 53 -11.447 -7.487 7.702 1.00 0.00 O ATOM 883 CB VAL A 53 -9.896 -9.551 5.842 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.238 -9.137 5.237 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.849 -9.661 4.731 1.00 0.00 C ATOM 0 H VAL A 53 -7.924 -9.921 7.318 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.251 -7.562 6.349 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.002 -10.516 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.556 -9.885 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.985 -9.059 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.132 -8.172 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.166 -10.409 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.742 -8.696 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.892 -9.956 5.161 1.00 0.00 H new ATOM 895 N ASP A 54 -10.517 -9.004 8.981 1.00 0.00 N ATOM 896 CA ASP A 54 -11.571 -8.829 10.017 1.00 0.00 C ATOM 897 C ASP A 54 -11.310 -7.531 10.781 1.00 0.00 C ATOM 898 O ASP A 54 -12.201 -6.955 11.369 1.00 0.00 O ATOM 899 CB ASP A 54 -11.538 -10.008 10.992 1.00 0.00 C ATOM 900 CG ASP A 54 -12.340 -11.173 10.409 1.00 0.00 C ATOM 901 OD1 ASP A 54 -12.857 -11.021 9.315 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.423 -12.196 11.068 1.00 0.00 O ATOM 0 H ASP A 54 -9.801 -9.698 9.199 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.549 -8.787 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.508 -10.316 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.955 -9.710 11.954 1.00 0.00 H new ATOM 907 N LYS A 55 -10.091 -7.068 10.777 1.00 0.00 N ATOM 908 CA LYS A 55 -9.774 -5.809 11.506 1.00 0.00 C ATOM 909 C LYS A 55 -10.206 -4.604 10.669 1.00 0.00 C ATOM 910 O LYS A 55 -10.907 -3.732 11.143 1.00 0.00 O ATOM 911 CB LYS A 55 -8.268 -5.736 11.766 1.00 0.00 C ATOM 912 CG LYS A 55 -8.020 -5.175 13.167 1.00 0.00 C ATOM 913 CD LYS A 55 -7.088 -6.114 13.936 1.00 0.00 C ATOM 914 CE LYS A 55 -5.995 -5.296 14.624 1.00 0.00 C ATOM 915 NZ LYS A 55 -6.203 -5.334 16.100 1.00 0.00 N ATOM 0 H LYS A 55 -9.302 -7.506 10.301 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.309 -5.798 12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.824 -6.727 11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.789 -5.103 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.577 -4.181 13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.965 -5.067 13.699 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.654 -6.680 14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.641 -6.838 13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.013 -5.697 14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.018 -4.266 14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.460 -4.778 16.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.134 -4.932 16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.160 -6.319 16.431 1.00 0.00 H new ATOM 929 N VAL A 56 -9.798 -4.544 9.431 1.00 0.00 N ATOM 930 CA VAL A 56 -10.195 -3.390 8.583 1.00 0.00 C ATOM 931 C VAL A 56 -11.685 -3.488 8.267 1.00 0.00 C ATOM 932 O VAL A 56 -12.399 -2.506 8.263 1.00 0.00 O ATOM 933 CB VAL A 56 -9.388 -3.413 7.282 1.00 0.00 C ATOM 934 CG1 VAL A 56 -7.938 -3.027 7.576 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.423 -4.814 6.665 1.00 0.00 C ATOM 0 H VAL A 56 -9.210 -5.241 8.974 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.997 -2.458 9.112 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.825 -2.702 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.362 -3.043 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.908 -2.025 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.509 -3.737 8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.846 -4.819 5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.993 -5.531 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.455 -5.091 6.450 1.00 0.00 H new ATOM 945 N MET A 57 -12.158 -4.672 8.010 1.00 0.00 N ATOM 946 CA MET A 57 -13.600 -4.854 7.703 1.00 0.00 C ATOM 947 C MET A 57 -14.419 -4.579 8.964 1.00 0.00 C ATOM 948 O MET A 57 -15.564 -4.187 8.894 1.00 0.00 O ATOM 949 CB MET A 57 -13.838 -6.292 7.242 1.00 0.00 C ATOM 950 CG MET A 57 -15.162 -6.375 6.483 1.00 0.00 C ATOM 951 SD MET A 57 -15.072 -5.347 4.995 1.00 0.00 S ATOM 952 CE MET A 57 -13.520 -6.015 4.346 1.00 0.00 C ATOM 0 H MET A 57 -11.603 -5.528 7.999 1.00 0.00 H new ATOM 0 HA MET A 57 -13.902 -4.165 6.914 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.019 -6.619 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.858 -6.962 8.102 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.373 -7.409 6.211 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.980 -6.040 7.120 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.509 -5.921 3.260 1.00 0.00 H new ATOM 0 HE2 MET A 57 -12.681 -5.461 4.767 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.434 -7.066 4.620 1.00 0.00 H new ATOM 962 N GLU A 58 -13.842 -4.778 10.119 1.00 0.00 N ATOM 963 CA GLU A 58 -14.598 -4.517 11.376 1.00 0.00 C ATOM 964 C GLU A 58 -14.736 -3.007 11.573 1.00 0.00 C ATOM 965 O GLU A 58 -15.817 -2.500 11.794 1.00 0.00 O ATOM 966 CB GLU A 58 -13.851 -5.124 12.564 1.00 0.00 C ATOM 967 CG GLU A 58 -14.377 -6.535 12.828 1.00 0.00 C ATOM 968 CD GLU A 58 -15.206 -6.540 14.114 1.00 0.00 C ATOM 969 OE1 GLU A 58 -14.612 -6.548 15.179 1.00 0.00 O ATOM 970 OE2 GLU A 58 -16.421 -6.537 14.012 1.00 0.00 O ATOM 0 H GLU A 58 -12.885 -5.108 10.245 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.587 -4.970 11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.781 -5.156 12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.986 -4.502 13.449 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.987 -6.870 11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.545 -7.234 12.917 1.00 0.00 H new ATOM 977 N THR A 59 -13.655 -2.280 11.480 1.00 0.00 N ATOM 978 CA THR A 59 -13.746 -0.804 11.649 1.00 0.00 C ATOM 979 C THR A 59 -14.571 -0.240 10.494 1.00 0.00 C ATOM 980 O THR A 59 -15.163 0.815 10.587 1.00 0.00 O ATOM 981 CB THR A 59 -12.343 -0.195 11.623 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.512 -0.887 12.545 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.418 1.282 12.010 1.00 0.00 C ATOM 0 H THR A 59 -12.720 -2.643 11.296 1.00 0.00 H new ATOM 0 HA THR A 59 -14.217 -0.563 12.602 1.00 0.00 H new ATOM 0 HB THR A 59 -11.926 -0.284 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.612 -0.500 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.418 1.714 11.991 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.056 1.812 11.302 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.834 1.375 13.013 1.00 0.00 H new ATOM 991 N LEU A 60 -14.609 -0.954 9.403 1.00 0.00 N ATOM 992 CA LEU A 60 -15.388 -0.497 8.222 1.00 0.00 C ATOM 993 C LEU A 60 -16.885 -0.593 8.523 1.00 0.00 C ATOM 994 O LEU A 60 -17.626 0.355 8.359 1.00 0.00 O ATOM 995 CB LEU A 60 -15.048 -1.403 7.039 1.00 0.00 C ATOM 996 CG LEU A 60 -13.912 -0.781 6.230 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.546 -1.704 5.066 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.359 0.577 5.684 1.00 0.00 C ATOM 0 H LEU A 60 -14.127 -1.845 9.280 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.139 0.538 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.756 -2.391 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.926 -1.539 6.408 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.042 -0.646 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.735 -1.259 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.226 -2.671 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.415 -1.841 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.549 1.022 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.230 0.442 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.617 1.236 6.513 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.332 -1.738 8.954 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.779 -1.917 9.260 1.00 0.00 C ATOM 1012 C ASP A 61 -19.123 -1.239 10.589 1.00 0.00 C ATOM 1013 O ASP A 61 -20.277 -1.024 10.903 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.089 -3.412 9.361 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.397 -3.712 8.629 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.362 -3.817 7.414 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.411 -3.832 9.296 1.00 0.00 O ATOM 0 H ASP A 61 -16.754 -2.564 9.109 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.372 -1.465 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.275 -3.993 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.169 -3.708 10.407 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.139 -0.903 11.376 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.428 -0.247 12.682 1.00 0.00 C ATOM 1024 C GLU A 62 -18.731 1.235 12.459 1.00 0.00 C ATOM 1025 O GLU A 62 -19.551 1.820 13.139 1.00 0.00 O ATOM 1026 CB GLU A 62 -17.218 -0.385 13.609 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.611 0.043 15.024 1.00 0.00 C ATOM 1028 CD GLU A 62 -16.492 -0.324 16.000 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -16.479 -1.453 16.460 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -15.667 0.532 16.272 1.00 0.00 O ATOM 0 H GLU A 62 -17.151 -1.053 11.173 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.292 -0.729 13.140 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.865 -1.416 13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.396 0.231 13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.794 1.117 15.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.539 -0.447 15.318 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.076 1.848 11.514 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.328 3.292 11.252 1.00 0.00 C ATOM 1039 C ASP A 63 -18.341 3.548 9.743 1.00 0.00 C ATOM 1040 O ASP A 63 -17.710 4.463 9.253 1.00 0.00 O ATOM 1041 CB ASP A 63 -17.224 4.128 11.901 1.00 0.00 C ATOM 1042 CG ASP A 63 -17.449 4.186 13.414 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -18.168 5.068 13.853 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -16.898 3.347 14.107 1.00 0.00 O ATOM 0 H ASP A 63 -17.377 1.412 10.912 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.293 3.572 11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.249 3.692 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.223 5.135 11.484 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.054 2.746 9.001 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.107 2.949 7.525 1.00 0.00 C ATOM 1051 C GLY A 64 -19.384 4.422 7.225 1.00 0.00 C ATOM 1052 O GLY A 64 -19.027 4.930 6.180 1.00 0.00 O ATOM 0 H GLY A 64 -19.601 1.960 9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.164 2.645 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.887 2.325 7.089 1.00 0.00 H new ATOM 1056 N ASP A 65 -20.017 5.111 8.134 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.317 6.551 7.902 1.00 0.00 C ATOM 1058 C ASP A 65 -19.315 7.411 8.676 1.00 0.00 C ATOM 1059 O ASP A 65 -19.677 8.377 9.317 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.736 6.862 8.385 1.00 0.00 C ATOM 1061 CG ASP A 65 -22.038 8.344 8.166 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -22.271 8.719 7.028 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.031 9.080 9.139 1.00 0.00 O ATOM 0 H ASP A 65 -20.339 4.739 9.027 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.240 6.771 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.458 6.250 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.834 6.613 9.441 1.00 0.00 H new ATOM 1068 N GLY A 66 -18.058 7.066 8.623 1.00 0.00 N ATOM 1069 CA GLY A 66 -17.036 7.860 9.355 1.00 0.00 C ATOM 1070 C GLY A 66 -16.096 8.537 8.354 1.00 0.00 C ATOM 1071 O GLY A 66 -16.353 8.567 7.167 1.00 0.00 O ATOM 0 H GLY A 66 -17.696 6.267 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.522 8.611 9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.467 7.212 10.022 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.009 9.084 8.825 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.054 9.761 7.901 1.00 0.00 C ATOM 1077 C GLU A 67 -12.673 9.114 8.028 1.00 0.00 C ATOM 1078 O GLU A 67 -12.192 8.867 9.117 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.955 11.243 8.267 1.00 0.00 C ATOM 1080 CG GLU A 67 -13.637 11.381 9.757 1.00 0.00 C ATOM 1081 CD GLU A 67 -13.421 12.855 10.101 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -14.205 13.670 9.646 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -12.474 13.143 10.814 1.00 0.00 O ATOM 0 H GLU A 67 -14.740 9.092 9.809 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.410 9.661 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.178 11.724 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.892 11.749 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.454 10.974 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.745 10.805 10.004 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.031 8.838 6.925 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.682 8.208 6.987 1.00 0.00 C ATOM 1092 C CYS A 68 -9.673 9.095 6.260 1.00 0.00 C ATOM 1093 O CYS A 68 -10.033 9.946 5.472 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.728 6.834 6.317 1.00 0.00 C ATOM 1095 SG CYS A 68 -10.141 5.578 7.480 1.00 0.00 S ATOM 0 H CYS A 68 -12.382 9.021 5.985 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.382 8.094 8.029 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.746 6.605 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.108 6.833 5.421 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.182 4.409 6.913 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.409 8.901 6.515 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.380 9.733 5.833 1.00 0.00 C ATOM 1103 C ASP A 69 -6.843 8.973 4.623 1.00 0.00 C ATOM 1104 O ASP A 69 -7.046 7.784 4.488 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.233 10.024 6.802 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.801 10.542 8.125 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.205 11.692 8.163 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.821 9.780 9.077 1.00 0.00 O ATOM 0 H ASP A 69 -8.045 8.204 7.165 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.826 10.673 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.650 9.119 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.557 10.762 6.371 1.00 0.00 H new ATOM 1113 N PHE A 70 -6.160 9.641 3.740 1.00 0.00 N ATOM 1114 CA PHE A 70 -5.615 8.941 2.545 1.00 0.00 C ATOM 1115 C PHE A 70 -4.589 7.902 2.999 1.00 0.00 C ATOM 1116 O PHE A 70 -4.607 6.768 2.564 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.948 9.960 1.618 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.644 10.421 2.223 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -3.628 11.510 3.102 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -2.453 9.759 1.907 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -2.420 11.937 3.664 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -1.244 10.186 2.469 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.228 11.275 3.347 1.00 0.00 C ATOM 0 H PHE A 70 -5.955 10.639 3.792 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.422 8.444 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.769 9.513 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.609 10.812 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.548 12.021 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.466 8.918 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.407 12.777 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.324 9.675 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.296 11.605 3.780 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.697 8.277 3.874 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.677 7.305 4.356 1.00 0.00 C ATOM 1135 C GLN A 71 -3.377 6.198 5.145 1.00 0.00 C ATOM 1136 O GLN A 71 -2.896 5.088 5.234 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.660 8.023 5.247 1.00 0.00 C ATOM 1138 CG GLN A 71 -2.258 8.274 6.635 1.00 0.00 C ATOM 1139 CD GLN A 71 -1.585 7.351 7.652 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -1.435 7.703 8.806 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -1.169 6.175 7.269 1.00 0.00 N ATOM 0 H GLN A 71 -3.631 9.212 4.275 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.152 6.869 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.755 7.422 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.370 8.970 4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.115 9.316 6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.333 8.093 6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.295 5.880 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.718 5.551 7.938 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.518 6.489 5.706 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.255 5.449 6.473 1.00 0.00 C ATOM 1152 C GLU A 72 -5.803 4.423 5.483 1.00 0.00 C ATOM 1153 O GLU A 72 -5.354 3.296 5.430 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.410 6.103 7.237 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.949 6.467 8.650 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.956 5.936 9.671 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -7.116 4.730 9.745 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -7.552 6.745 10.363 1.00 0.00 O ATOM 0 H GLU A 72 -4.971 7.402 5.666 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.592 4.961 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.747 6.997 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.260 5.422 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.963 6.043 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.855 7.549 8.745 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.755 4.813 4.683 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.317 3.874 3.676 1.00 0.00 C ATOM 1167 C PHE A 73 -6.151 3.212 2.930 1.00 0.00 C ATOM 1168 O PHE A 73 -6.254 2.102 2.446 1.00 0.00 O ATOM 1169 CB PHE A 73 -8.221 4.672 2.709 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.744 4.557 1.272 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.807 5.468 0.772 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -8.237 3.539 0.449 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -6.364 5.362 -0.552 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.795 3.432 -0.876 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.859 4.344 -1.376 1.00 0.00 C ATOM 0 H PHE A 73 -7.169 5.745 4.684 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.917 3.096 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.245 4.307 2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.235 5.721 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.425 6.253 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.959 2.835 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.641 6.065 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.176 2.646 -1.511 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.518 4.263 -2.398 1.00 0.00 H new ATOM 1185 N MET A 74 -5.047 3.898 2.831 1.00 0.00 N ATOM 1186 CA MET A 74 -3.872 3.331 2.117 1.00 0.00 C ATOM 1187 C MET A 74 -3.357 2.102 2.867 1.00 0.00 C ATOM 1188 O MET A 74 -3.283 1.019 2.323 1.00 0.00 O ATOM 1189 CB MET A 74 -2.774 4.394 2.052 1.00 0.00 C ATOM 1190 CG MET A 74 -2.975 5.266 0.810 1.00 0.00 C ATOM 1191 SD MET A 74 -2.888 4.239 -0.676 1.00 0.00 S ATOM 1192 CE MET A 74 -1.248 3.545 -0.371 1.00 0.00 C ATOM 0 H MET A 74 -4.908 4.832 3.216 1.00 0.00 H new ATOM 0 HA MET A 74 -4.160 3.035 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.798 5.012 2.950 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.794 3.917 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.940 5.770 0.860 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.212 6.043 0.772 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.819 3.198 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.604 4.311 0.061 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.330 2.707 0.321 1.00 0.00 H new ATOM 1202 N ALA A 75 -3.004 2.259 4.113 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.499 1.097 4.895 1.00 0.00 C ATOM 1204 C ALA A 75 -3.598 0.037 4.980 1.00 0.00 C ATOM 1205 O ALA A 75 -3.332 -1.131 5.176 1.00 0.00 O ATOM 1206 CB ALA A 75 -2.115 1.555 6.304 1.00 0.00 C ATOM 0 H ALA A 75 -3.044 3.142 4.623 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.621 0.676 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.746 0.703 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.336 2.315 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.990 1.974 6.802 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.829 0.439 4.825 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.951 -0.538 4.885 1.00 0.00 C ATOM 1214 C PHE A 76 -5.975 -1.339 3.581 1.00 0.00 C ATOM 1215 O PHE A 76 -6.328 -2.500 3.557 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.272 0.218 5.048 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.753 0.099 6.476 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.867 0.322 7.536 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.087 -0.233 6.738 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.315 0.213 8.859 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.536 -0.342 8.060 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.649 -0.119 9.121 1.00 0.00 C ATOM 0 H PHE A 76 -5.107 1.406 4.659 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.816 -1.212 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.137 1.267 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.020 -0.187 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.837 0.578 7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.771 -0.405 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.631 0.385 9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.566 -0.598 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.994 -0.203 10.141 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.591 -0.720 2.499 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.574 -1.426 1.187 1.00 0.00 C ATOM 1234 C VAL A 77 -4.463 -2.477 1.196 1.00 0.00 C ATOM 1235 O VAL A 77 -4.519 -3.461 0.487 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.305 -0.402 0.081 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.069 -1.118 -1.252 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.508 0.532 -0.050 1.00 0.00 C ATOM 0 H VAL A 77 -5.286 0.253 2.467 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.532 -1.916 1.011 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.417 0.175 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.879 -0.381 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.209 -1.781 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.952 -1.702 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.318 1.262 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.395 -0.050 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.670 1.051 0.895 1.00 0.00 H new ATOM 1248 N SER A 78 -3.449 -2.270 1.989 1.00 0.00 N ATOM 1249 CA SER A 78 -2.327 -3.250 2.040 1.00 0.00 C ATOM 1250 C SER A 78 -2.717 -4.462 2.896 1.00 0.00 C ATOM 1251 O SER A 78 -2.643 -5.590 2.455 1.00 0.00 O ATOM 1252 CB SER A 78 -1.098 -2.579 2.652 1.00 0.00 C ATOM 1253 OG SER A 78 -1.466 -1.961 3.879 1.00 0.00 O ATOM 0 H SER A 78 -3.348 -1.463 2.605 1.00 0.00 H new ATOM 0 HA SER A 78 -2.105 -3.586 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.314 -3.316 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.693 -1.837 1.964 1.00 0.00 H new ATOM 0 HG SER A 78 -2.443 -1.934 3.952 1.00 0.00 H new ATOM 1259 N MET A 79 -3.119 -4.239 4.118 1.00 0.00 N ATOM 1260 CA MET A 79 -3.498 -5.387 4.999 1.00 0.00 C ATOM 1261 C MET A 79 -4.455 -6.310 4.249 1.00 0.00 C ATOM 1262 O MET A 79 -4.282 -7.512 4.222 1.00 0.00 O ATOM 1263 CB MET A 79 -4.197 -4.896 6.277 1.00 0.00 C ATOM 1264 CG MET A 79 -3.784 -3.463 6.605 1.00 0.00 C ATOM 1265 SD MET A 79 -4.152 -3.118 8.343 1.00 0.00 S ATOM 1266 CE MET A 79 -3.059 -1.688 8.523 1.00 0.00 C ATOM 0 H MET A 79 -3.202 -3.317 4.545 1.00 0.00 H new ATOM 0 HA MET A 79 -2.586 -5.918 5.273 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.278 -4.947 6.148 1.00 0.00 H new ATOM 0 HB3 MET A 79 -3.944 -5.552 7.110 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.720 -3.326 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.317 -2.762 5.962 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.127 -1.304 9.541 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.032 -1.987 8.316 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.359 -0.910 7.821 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.472 -5.757 3.655 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.458 -6.591 2.920 1.00 0.00 C ATOM 1278 C VAL A 80 -5.818 -7.183 1.659 1.00 0.00 C ATOM 1279 O VAL A 80 -5.937 -8.361 1.390 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.646 -5.716 2.535 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.289 -5.149 3.805 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.166 -4.564 1.649 1.00 0.00 C ATOM 0 H VAL A 80 -5.664 -4.755 3.647 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.789 -7.412 3.556 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.377 -6.312 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.139 -4.523 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.629 -5.969 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.557 -4.552 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.015 -3.938 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.436 -3.966 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.704 -4.966 0.747 1.00 0.00 H new ATOM 1292 N THR A 81 -5.147 -6.379 0.882 1.00 0.00 N ATOM 1293 CA THR A 81 -4.509 -6.904 -0.362 1.00 0.00 C ATOM 1294 C THR A 81 -3.358 -7.845 0.002 1.00 0.00 C ATOM 1295 O THR A 81 -2.768 -8.474 -0.854 1.00 0.00 O ATOM 1296 CB THR A 81 -3.970 -5.738 -1.194 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.997 -4.774 -1.375 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.507 -6.253 -2.558 1.00 0.00 C ATOM 0 H THR A 81 -5.012 -5.382 1.052 1.00 0.00 H new ATOM 0 HA THR A 81 -5.253 -7.452 -0.941 1.00 0.00 H new ATOM 0 HB THR A 81 -3.127 -5.280 -0.676 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.047 -4.197 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.123 -5.422 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.719 -6.994 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.348 -6.711 -3.079 1.00 0.00 H new ATOM 1306 N THR A 82 -3.032 -7.950 1.261 1.00 0.00 N ATOM 1307 CA THR A 82 -1.918 -8.853 1.667 1.00 0.00 C ATOM 1308 C THR A 82 -2.450 -9.932 2.615 1.00 0.00 C ATOM 1309 O THR A 82 -1.758 -10.876 2.943 1.00 0.00 O ATOM 1310 CB THR A 82 -0.837 -8.037 2.378 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.386 -7.440 3.545 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.319 -6.945 1.441 1.00 0.00 C ATOM 0 H THR A 82 -3.488 -7.451 2.025 1.00 0.00 H new ATOM 0 HA THR A 82 -1.495 -9.327 0.782 1.00 0.00 H new ATOM 0 HB THR A 82 -0.013 -8.693 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.969 -6.695 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.451 -6.365 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.103 -7.403 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.141 -6.288 1.158 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.670 -9.800 3.058 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.241 -10.818 3.985 1.00 0.00 C ATOM 1322 C ALA A 83 -4.492 -12.122 3.226 1.00 0.00 C ATOM 1323 O ALA A 83 -3.960 -13.160 3.562 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.563 -10.304 4.558 1.00 0.00 C ATOM 0 H ALA A 83 -4.296 -9.031 2.818 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.537 -11.000 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.980 -11.049 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.387 -9.376 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.265 -10.120 3.745 1.00 0.00 H new ATOM 1481 N SER B 1 -9.662 -2.627 -13.078 1.00 0.00 N ATOM 1482 CA SER B 1 -10.082 -1.364 -12.410 1.00 0.00 C ATOM 1483 C SER B 1 -8.847 -0.514 -12.104 1.00 0.00 C ATOM 1484 O SER B 1 -7.741 -0.853 -12.476 1.00 0.00 O ATOM 1485 CB SER B 1 -10.815 -1.692 -11.109 1.00 0.00 C ATOM 1486 OG SER B 1 -9.865 -1.976 -10.092 1.00 0.00 O ATOM 0 H1 SER B 1 -10.306 -2.832 -13.869 1.00 0.00 H new ATOM 0 H2 SER B 1 -8.692 -2.523 -13.439 1.00 0.00 H new ATOM 0 H3 SER B 1 -9.694 -3.409 -12.393 1.00 0.00 H new ATOM 0 HA SER B 1 -10.749 -0.809 -13.069 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.443 -0.853 -10.811 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.474 -2.548 -11.256 1.00 0.00 H new ATOM 0 HG SER B 1 -10.109 -2.811 -9.640 1.00 0.00 H new ATOM 1492 N GLU B 2 -9.028 0.592 -11.436 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.868 1.469 -11.114 1.00 0.00 C ATOM 1494 C GLU B 2 -7.116 0.919 -9.900 1.00 0.00 C ATOM 1495 O GLU B 2 -5.904 0.956 -9.842 1.00 0.00 O ATOM 1496 CB GLU B 2 -8.371 2.879 -10.802 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.279 3.900 -11.127 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.911 5.275 -11.341 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -8.412 5.514 -12.426 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.885 6.067 -10.412 1.00 0.00 O ATOM 0 H GLU B 2 -9.931 0.926 -11.099 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.193 1.498 -11.969 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.267 3.093 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.649 2.952 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -6.554 3.944 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.736 3.595 -12.022 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.823 0.415 -8.927 1.00 0.00 N ATOM 1508 CA LEU B 3 -7.146 -0.125 -7.714 1.00 0.00 C ATOM 1509 C LEU B 3 -6.581 -1.512 -8.006 1.00 0.00 C ATOM 1510 O LEU B 3 -5.425 -1.790 -7.762 1.00 0.00 O ATOM 1511 CB LEU B 3 -8.157 -0.236 -6.575 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.413 -0.374 -5.250 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.640 0.914 -4.966 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.417 -0.628 -4.124 1.00 0.00 C ATOM 0 H LEU B 3 -8.841 0.354 -8.919 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.336 0.548 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.798 0.646 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.806 -1.098 -6.732 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.717 -1.211 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.108 0.818 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -5.924 1.093 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.336 1.751 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.885 -0.727 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.114 0.207 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.968 -1.546 -4.328 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.392 -2.392 -8.507 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.909 -3.769 -8.795 1.00 0.00 C ATOM 1528 C GLU B 4 -5.693 -3.717 -9.725 1.00 0.00 C ATOM 1529 O GLU B 4 -4.797 -4.530 -9.630 1.00 0.00 O ATOM 1530 CB GLU B 4 -8.028 -4.570 -9.462 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.518 -5.968 -9.817 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.403 -6.099 -11.337 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.037 -5.319 -12.028 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -6.682 -6.975 -11.784 1.00 0.00 O ATOM 0 H GLU B 4 -8.372 -2.220 -8.731 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.620 -4.249 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.885 -4.644 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.369 -4.057 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.548 -6.141 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.198 -6.725 -9.427 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.652 -2.777 -10.627 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.492 -2.695 -11.561 1.00 0.00 C ATOM 1543 C LYS B 5 -3.308 -2.006 -10.875 1.00 0.00 C ATOM 1544 O LYS B 5 -2.202 -2.509 -10.877 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.896 -1.900 -12.806 1.00 0.00 C ATOM 1546 CG LYS B 5 -4.176 -2.465 -14.033 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.985 -3.626 -14.615 1.00 0.00 C ATOM 1548 CE LYS B 5 -4.719 -3.733 -16.118 1.00 0.00 C ATOM 1549 NZ LYS B 5 -5.489 -4.878 -16.680 1.00 0.00 N ATOM 0 H LYS B 5 -6.369 -2.063 -10.759 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.195 -3.704 -11.849 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.975 -1.953 -12.949 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.643 -0.848 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.049 -1.685 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.179 -2.806 -13.756 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.712 -4.558 -14.120 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -6.048 -3.469 -14.434 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -5.008 -2.807 -16.616 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.654 -3.873 -16.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.308 -4.950 -17.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.192 -5.759 -16.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.505 -4.726 -16.519 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.522 -0.855 -10.297 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.398 -0.138 -9.626 1.00 0.00 C ATOM 1565 C ALA B 6 -2.037 -0.833 -8.312 1.00 0.00 C ATOM 1566 O ALA B 6 -0.936 -1.310 -8.134 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.818 1.302 -9.327 1.00 0.00 C ATOM 0 H ALA B 6 -4.424 -0.380 -10.260 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.532 -0.145 -10.288 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.997 1.826 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -3.067 1.809 -10.259 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.689 1.298 -8.672 1.00 0.00 H new ATOM 1573 N MET B 7 -2.955 -0.880 -7.390 1.00 0.00 N ATOM 1574 CA MET B 7 -2.668 -1.530 -6.082 1.00 0.00 C ATOM 1575 C MET B 7 -1.964 -2.864 -6.312 1.00 0.00 C ATOM 1576 O MET B 7 -0.972 -3.170 -5.682 1.00 0.00 O ATOM 1577 CB MET B 7 -3.984 -1.771 -5.338 1.00 0.00 C ATOM 1578 CG MET B 7 -3.692 -2.405 -3.978 1.00 0.00 C ATOM 1579 SD MET B 7 -2.501 -1.379 -3.081 1.00 0.00 S ATOM 1580 CE MET B 7 -2.242 -2.493 -1.680 1.00 0.00 C ATOM 0 H MET B 7 -3.895 -0.495 -7.486 1.00 0.00 H new ATOM 0 HA MET B 7 -2.023 -0.881 -5.489 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.517 -0.829 -5.205 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.631 -2.424 -5.924 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.613 -2.500 -3.403 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.295 -3.411 -4.111 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.054 -1.908 -0.780 1.00 0.00 H new ATOM 0 HE2 MET B 7 -3.130 -3.108 -1.535 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.385 -3.136 -1.880 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.474 -3.663 -7.206 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.841 -4.985 -7.472 1.00 0.00 C ATOM 1592 C VAL B 8 -0.518 -4.791 -8.219 1.00 0.00 C ATOM 1593 O VAL B 8 0.402 -5.568 -8.076 1.00 0.00 O ATOM 1594 CB VAL B 8 -2.786 -5.841 -8.315 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.189 -7.237 -8.484 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.138 -5.951 -7.605 1.00 0.00 C ATOM 0 H VAL B 8 -3.302 -3.458 -7.765 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.643 -5.485 -6.524 1.00 0.00 H new ATOM 0 HB VAL B 8 -2.922 -5.381 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -2.861 -7.850 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.223 -7.162 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.057 -7.697 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -4.815 -6.561 -8.203 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -3.999 -6.415 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.564 -4.956 -7.477 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.413 -3.762 -9.015 1.00 0.00 N ATOM 1607 CA ALA B 9 0.855 -3.529 -9.766 1.00 0.00 C ATOM 1608 C ALA B 9 2.010 -3.345 -8.777 1.00 0.00 C ATOM 1609 O ALA B 9 3.012 -4.028 -8.845 1.00 0.00 O ATOM 1610 CB ALA B 9 0.716 -2.271 -10.626 1.00 0.00 C ATOM 0 H ALA B 9 -1.148 -3.074 -9.178 1.00 0.00 H new ATOM 0 HA ALA B 9 1.059 -4.387 -10.407 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.642 -2.101 -11.174 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -0.105 -2.401 -11.331 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.511 -1.413 -9.985 1.00 0.00 H new ATOM 1616 N LEU B 10 1.878 -2.427 -7.860 1.00 0.00 N ATOM 1617 CA LEU B 10 2.965 -2.198 -6.866 1.00 0.00 C ATOM 1618 C LEU B 10 3.326 -3.540 -6.214 1.00 0.00 C ATOM 1619 O LEU B 10 4.485 -3.846 -6.003 1.00 0.00 O ATOM 1620 CB LEU B 10 2.471 -1.162 -5.829 1.00 0.00 C ATOM 1621 CG LEU B 10 2.931 -1.489 -4.397 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.133 -2.673 -3.863 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.425 -1.823 -4.373 1.00 0.00 C ATOM 0 H LEU B 10 1.062 -1.824 -7.756 1.00 0.00 H new ATOM 0 HA LEU B 10 3.864 -1.802 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU B 10 2.836 -0.173 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.382 -1.118 -5.855 1.00 0.00 H new ATOM 0 HG LEU B 10 2.760 -0.616 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.459 -2.904 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.072 -2.423 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.296 -3.540 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.730 -2.051 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU B 10 4.615 -2.687 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.995 -0.969 -4.740 1.00 0.00 H new ATOM 1635 N ILE B 11 2.349 -4.346 -5.900 1.00 0.00 N ATOM 1636 CA ILE B 11 2.663 -5.662 -5.270 1.00 0.00 C ATOM 1637 C ILE B 11 3.478 -6.490 -6.263 1.00 0.00 C ATOM 1638 O ILE B 11 4.382 -7.220 -5.896 1.00 0.00 O ATOM 1639 CB ILE B 11 1.377 -6.413 -4.896 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.228 -5.423 -4.690 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.606 -7.183 -3.594 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.948 -6.128 -4.010 1.00 0.00 C ATOM 0 H ILE B 11 1.358 -4.155 -6.050 1.00 0.00 H new ATOM 0 HA ILE B 11 3.232 -5.497 -4.355 1.00 0.00 H new ATOM 0 HB ILE B 11 1.120 -7.100 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.563 -4.584 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.087 -5.013 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.696 -7.718 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.419 -7.896 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.866 -6.484 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.763 -5.419 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.290 -6.952 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.629 -6.516 -3.043 1.00 0.00 H new ATOM 1654 N ASP B 12 3.181 -6.363 -7.528 1.00 0.00 N ATOM 1655 CA ASP B 12 3.949 -7.119 -8.550 1.00 0.00 C ATOM 1656 C ASP B 12 5.425 -6.766 -8.397 1.00 0.00 C ATOM 1657 O ASP B 12 6.285 -7.623 -8.413 1.00 0.00 O ATOM 1658 CB ASP B 12 3.466 -6.726 -9.946 1.00 0.00 C ATOM 1659 CG ASP B 12 3.696 -7.888 -10.912 1.00 0.00 C ATOM 1660 OD1 ASP B 12 3.618 -9.023 -10.471 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.944 -7.625 -12.078 1.00 0.00 O ATOM 0 H ASP B 12 2.439 -5.767 -7.895 1.00 0.00 H new ATOM 0 HA ASP B 12 3.804 -8.191 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.407 -6.468 -9.917 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.000 -5.841 -10.291 1.00 0.00 H new ATOM 1666 N VAL B 13 5.727 -5.505 -8.230 1.00 0.00 N ATOM 1667 CA VAL B 13 7.149 -5.108 -8.052 1.00 0.00 C ATOM 1668 C VAL B 13 7.772 -6.041 -7.016 1.00 0.00 C ATOM 1669 O VAL B 13 8.877 -6.518 -7.180 1.00 0.00 O ATOM 1670 CB VAL B 13 7.230 -3.656 -7.559 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.606 -3.393 -6.943 1.00 0.00 C ATOM 1672 CG2 VAL B 13 7.025 -2.702 -8.735 1.00 0.00 C ATOM 0 H VAL B 13 5.053 -4.739 -8.210 1.00 0.00 H new ATOM 0 HA VAL B 13 7.683 -5.181 -9.000 1.00 0.00 H new ATOM 0 HB VAL B 13 6.455 -3.493 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.658 -2.361 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.763 -4.068 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.379 -3.562 -7.693 1.00 0.00 H new ATOM 0 HG21 VAL B 13 7.083 -1.672 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.800 -2.874 -9.482 1.00 0.00 H new ATOM 0 HG23 VAL B 13 6.046 -2.879 -9.180 1.00 0.00 H new ATOM 1682 N PHE B 14 7.065 -6.313 -5.953 1.00 0.00 N ATOM 1683 CA PHE B 14 7.616 -7.227 -4.916 1.00 0.00 C ATOM 1684 C PHE B 14 8.168 -8.475 -5.602 1.00 0.00 C ATOM 1685 O PHE B 14 9.284 -8.887 -5.360 1.00 0.00 O ATOM 1686 CB PHE B 14 6.509 -7.630 -3.938 1.00 0.00 C ATOM 1687 CG PHE B 14 7.102 -8.471 -2.834 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.903 -7.875 -1.854 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.853 -9.848 -2.791 1.00 0.00 C ATOM 1690 CE1 PHE B 14 8.456 -8.654 -0.831 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.406 -10.628 -1.769 1.00 0.00 C ATOM 1692 CZ PHE B 14 8.207 -10.031 -0.789 1.00 0.00 C ATOM 0 H PHE B 14 6.134 -5.943 -5.759 1.00 0.00 H new ATOM 0 HA PHE B 14 8.410 -6.722 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.036 -6.741 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.732 -8.189 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.095 -6.813 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.234 -10.308 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.074 -8.193 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.215 -11.690 -1.737 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.633 -10.633 0.000 1.00 0.00 H new ATOM 1702 N HIS B 15 7.394 -9.078 -6.463 1.00 0.00 N ATOM 1703 CA HIS B 15 7.878 -10.298 -7.170 1.00 0.00 C ATOM 1704 C HIS B 15 9.128 -9.951 -7.984 1.00 0.00 C ATOM 1705 O HIS B 15 10.043 -10.741 -8.102 1.00 0.00 O ATOM 1706 CB HIS B 15 6.787 -10.813 -8.109 1.00 0.00 C ATOM 1707 CG HIS B 15 7.317 -11.971 -8.910 1.00 0.00 C ATOM 1708 ND1 HIS B 15 7.510 -11.896 -10.282 1.00 0.00 N ATOM 1709 CD2 HIS B 15 7.699 -13.239 -8.548 1.00 0.00 C ATOM 1710 CE1 HIS B 15 7.988 -13.085 -10.690 1.00 0.00 C ATOM 1711 NE2 HIS B 15 8.122 -13.940 -9.673 1.00 0.00 N ATOM 0 H HIS B 15 6.450 -8.780 -6.707 1.00 0.00 H new ATOM 0 HA HIS B 15 8.120 -11.069 -6.439 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.915 -11.124 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.461 -10.015 -8.776 1.00 0.00 H new ATOM 0 HD2 HIS B 15 7.675 -13.633 -7.543 1.00 0.00 H new ATOM 0 HE1 HIS B 15 8.234 -13.320 -11.715 1.00 0.00 H new ATOM 0 HE2 HIS B 15 8.462 -14.901 -9.712 1.00 0.00 H new ATOM 1719 N GLN B 16 9.176 -8.772 -8.545 1.00 0.00 N ATOM 1720 CA GLN B 16 10.368 -8.373 -9.348 1.00 0.00 C ATOM 1721 C GLN B 16 11.629 -8.538 -8.501 1.00 0.00 C ATOM 1722 O GLN B 16 12.578 -9.183 -8.901 1.00 0.00 O ATOM 1723 CB GLN B 16 10.229 -6.909 -9.772 1.00 0.00 C ATOM 1724 CG GLN B 16 11.093 -6.648 -11.008 1.00 0.00 C ATOM 1725 CD GLN B 16 10.366 -5.684 -11.946 1.00 0.00 C ATOM 1726 OE1 GLN B 16 9.611 -6.102 -12.799 1.00 0.00 O ATOM 1727 NE2 GLN B 16 10.564 -4.400 -11.823 1.00 0.00 N ATOM 0 H GLN B 16 8.441 -8.068 -8.482 1.00 0.00 H new ATOM 0 HA GLN B 16 10.438 -9.004 -10.234 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.186 -6.681 -9.990 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.535 -6.253 -8.957 1.00 0.00 H new ATOM 0 HG2 GLN B 16 12.054 -6.227 -10.711 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.301 -7.586 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN B 16 11.199 -4.048 -11.106 1.00 0.00 H new ATOM 0 HE22 GLN B 16 10.084 -3.748 -12.444 1.00 0.00 H new ATOM 1736 N TYR B 17 11.645 -7.960 -7.331 1.00 0.00 N ATOM 1737 CA TYR B 17 12.843 -8.083 -6.455 1.00 0.00 C ATOM 1738 C TYR B 17 12.719 -9.344 -5.595 1.00 0.00 C ATOM 1739 O TYR B 17 13.585 -9.651 -4.801 1.00 0.00 O ATOM 1740 CB TYR B 17 12.937 -6.855 -5.547 1.00 0.00 C ATOM 1741 CG TYR B 17 12.978 -5.603 -6.392 1.00 0.00 C ATOM 1742 CD1 TYR B 17 14.174 -5.209 -7.004 1.00 0.00 C ATOM 1743 CD2 TYR B 17 11.820 -4.836 -6.561 1.00 0.00 C ATOM 1744 CE1 TYR B 17 14.212 -4.049 -7.785 1.00 0.00 C ATOM 1745 CE2 TYR B 17 11.858 -3.675 -7.343 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.053 -3.280 -7.954 1.00 0.00 C ATOM 1747 OH TYR B 17 13.091 -2.136 -8.723 1.00 0.00 O ATOM 0 H TYR B 17 10.880 -7.408 -6.944 1.00 0.00 H new ATOM 0 HA TYR B 17 13.739 -8.150 -7.072 1.00 0.00 H new ATOM 0 HB2 TYR B 17 12.082 -6.823 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.831 -6.917 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR B 17 15.068 -5.801 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR B 17 10.897 -5.139 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR B 17 15.135 -3.746 -8.258 1.00 0.00 H new ATOM 0 HE2 TYR B 17 10.964 -3.084 -7.475 1.00 0.00 H new ATOM 0 HH TYR B 17 12.356 -2.153 -9.371 1.00 0.00 H new ATOM 1757 N SER B 18 11.650 -10.077 -5.748 1.00 0.00 N ATOM 1758 CA SER B 18 11.474 -11.316 -4.940 1.00 0.00 C ATOM 1759 C SER B 18 11.117 -12.479 -5.867 1.00 0.00 C ATOM 1760 O SER B 18 10.476 -13.430 -5.466 1.00 0.00 O ATOM 1761 CB SER B 18 10.348 -11.107 -3.927 1.00 0.00 C ATOM 1762 OG SER B 18 10.521 -12.006 -2.839 1.00 0.00 O ATOM 0 H SER B 18 10.891 -9.871 -6.398 1.00 0.00 H new ATOM 0 HA SER B 18 12.400 -11.542 -4.412 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.353 -10.078 -3.568 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.381 -11.274 -4.401 1.00 0.00 H new ATOM 0 HG SER B 18 10.574 -12.924 -3.178 1.00 0.00 H new ATOM 1855 N HIS B 25 8.818 -15.511 -1.947 1.00 0.00 N ATOM 1856 CA HIS B 25 7.816 -14.753 -1.145 1.00 0.00 C ATOM 1857 C HIS B 25 8.513 -14.113 0.058 1.00 0.00 C ATOM 1858 O HIS B 25 7.912 -13.901 1.093 1.00 0.00 O ATOM 1859 CB HIS B 25 6.712 -15.694 -0.641 1.00 0.00 C ATOM 1860 CG HIS B 25 6.757 -17.004 -1.381 1.00 0.00 C ATOM 1861 ND1 HIS B 25 7.698 -17.981 -1.094 1.00 0.00 N ATOM 1862 CD2 HIS B 25 5.986 -17.514 -2.395 1.00 0.00 C ATOM 1863 CE1 HIS B 25 7.469 -19.018 -1.918 1.00 0.00 C ATOM 1864 NE2 HIS B 25 6.437 -18.786 -2.733 1.00 0.00 N ATOM 0 HA HIS B 25 7.369 -13.984 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.835 -15.869 0.428 1.00 0.00 H new ATOM 0 HB3 HIS B 25 5.737 -15.226 -0.777 1.00 0.00 H new ATOM 0 HD2 HIS B 25 5.155 -17.005 -2.860 1.00 0.00 H new ATOM 0 HE1 HIS B 25 8.049 -19.929 -1.921 1.00 0.00 H new ATOM 0 HE2 HIS B 25 6.061 -19.407 -3.449 1.00 0.00 H new ATOM 1872 N LYS B 26 9.775 -13.805 -0.068 1.00 0.00 N ATOM 1873 CA LYS B 26 10.501 -13.182 1.075 1.00 0.00 C ATOM 1874 C LYS B 26 11.560 -12.215 0.546 1.00 0.00 C ATOM 1875 O LYS B 26 12.373 -12.558 -0.290 1.00 0.00 O ATOM 1876 CB LYS B 26 11.178 -14.271 1.909 1.00 0.00 C ATOM 1877 CG LYS B 26 11.900 -15.252 0.983 1.00 0.00 C ATOM 1878 CD LYS B 26 11.565 -16.685 1.401 1.00 0.00 C ATOM 1879 CE LYS B 26 11.983 -16.903 2.856 1.00 0.00 C ATOM 1880 NZ LYS B 26 10.878 -17.575 3.596 1.00 0.00 N ATOM 0 H LYS B 26 10.332 -13.957 -0.909 1.00 0.00 H new ATOM 0 HA LYS B 26 9.791 -12.637 1.697 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.887 -13.822 2.604 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.436 -14.799 2.507 1.00 0.00 H new ATOM 0 HG2 LYS B 26 11.598 -15.083 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.977 -15.090 1.031 1.00 0.00 H new ATOM 0 HD2 LYS B 26 10.497 -16.868 1.287 1.00 0.00 H new ATOM 0 HD3 LYS B 26 12.081 -17.394 0.753 1.00 0.00 H new ATOM 0 HE2 LYS B 26 12.886 -17.512 2.899 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.220 -15.948 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 11.162 -17.723 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 10.027 -16.978 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 10.672 -18.494 3.154 1.00 0.00 H new ATOM 1894 N LEU B 27 11.557 -11.005 1.033 1.00 0.00 N ATOM 1895 CA LEU B 27 12.560 -10.009 0.572 1.00 0.00 C ATOM 1896 C LEU B 27 13.527 -9.711 1.720 1.00 0.00 C ATOM 1897 O LEU B 27 13.681 -10.504 2.628 1.00 0.00 O ATOM 1898 CB LEU B 27 11.839 -8.727 0.147 1.00 0.00 C ATOM 1899 CG LEU B 27 12.018 -8.512 -1.359 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.506 -7.124 -1.742 1.00 0.00 C ATOM 1901 CD2 LEU B 27 13.501 -8.624 -1.720 1.00 0.00 C ATOM 0 H LEU B 27 10.899 -10.663 1.734 1.00 0.00 H new ATOM 0 HA LEU B 27 13.118 -10.402 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.779 -8.796 0.391 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.238 -7.874 0.696 1.00 0.00 H new ATOM 0 HG LEU B 27 11.453 -9.270 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.634 -6.972 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.449 -7.043 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.069 -6.366 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU B 27 13.627 -8.471 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU B 27 14.066 -7.867 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.868 -9.614 -1.449 1.00 0.00 H new ATOM 1913 N LYS B 28 14.182 -8.583 1.695 1.00 0.00 N ATOM 1914 CA LYS B 28 15.133 -8.257 2.794 1.00 0.00 C ATOM 1915 C LYS B 28 15.032 -6.770 3.135 1.00 0.00 C ATOM 1916 O LYS B 28 14.344 -6.017 2.476 1.00 0.00 O ATOM 1917 CB LYS B 28 16.556 -8.581 2.343 1.00 0.00 C ATOM 1918 CG LYS B 28 16.801 -10.086 2.461 1.00 0.00 C ATOM 1919 CD LYS B 28 18.028 -10.470 1.631 1.00 0.00 C ATOM 1920 CE LYS B 28 19.291 -10.278 2.471 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.422 -9.883 1.583 1.00 0.00 N ATOM 0 H LYS B 28 14.100 -7.876 0.964 1.00 0.00 H new ATOM 0 HA LYS B 28 14.886 -8.847 3.677 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.704 -8.258 1.313 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.275 -8.036 2.955 1.00 0.00 H new ATOM 0 HG2 LYS B 28 16.955 -10.359 3.505 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.927 -10.636 2.113 1.00 0.00 H new ATOM 0 HD2 LYS B 28 17.950 -11.507 1.304 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.079 -9.856 0.732 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.124 -9.512 3.228 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.534 -11.200 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.282 -9.752 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.585 -10.628 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 20.189 -8.993 1.099 1.00 0.00 H new ATOM 1935 N LYS B 29 15.710 -6.343 4.165 1.00 0.00 N ATOM 1936 CA LYS B 29 15.654 -4.906 4.554 1.00 0.00 C ATOM 1937 C LYS B 29 16.476 -4.073 3.570 1.00 0.00 C ATOM 1938 O LYS B 29 16.166 -2.931 3.302 1.00 0.00 O ATOM 1939 CB LYS B 29 16.222 -4.739 5.964 1.00 0.00 C ATOM 1940 CG LYS B 29 15.542 -5.732 6.909 1.00 0.00 C ATOM 1941 CD LYS B 29 14.025 -5.636 6.745 1.00 0.00 C ATOM 1942 CE LYS B 29 13.338 -6.233 7.975 1.00 0.00 C ATOM 1943 NZ LYS B 29 12.413 -5.226 8.566 1.00 0.00 N ATOM 0 H LYS B 29 16.301 -6.929 4.755 1.00 0.00 H new ATOM 0 HA LYS B 29 14.618 -4.566 4.535 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.299 -4.907 5.956 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.061 -3.719 6.314 1.00 0.00 H new ATOM 0 HG2 LYS B 29 15.878 -6.746 6.692 1.00 0.00 H new ATOM 0 HG3 LYS B 29 15.821 -5.518 7.941 1.00 0.00 H new ATOM 0 HD2 LYS B 29 13.728 -4.595 6.619 1.00 0.00 H new ATOM 0 HD3 LYS B 29 13.712 -6.168 5.847 1.00 0.00 H new ATOM 0 HE2 LYS B 29 12.786 -7.130 7.696 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.084 -6.534 8.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.196 -5.488 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 12.863 -4.289 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 11.532 -5.197 8.013 1.00 0.00 H new ATOM 1957 N SER B 30 17.524 -4.633 3.029 1.00 0.00 N ATOM 1958 CA SER B 30 18.361 -3.866 2.063 1.00 0.00 C ATOM 1959 C SER B 30 17.618 -3.738 0.733 1.00 0.00 C ATOM 1960 O SER B 30 17.828 -2.805 -0.018 1.00 0.00 O ATOM 1961 CB SER B 30 19.686 -4.595 1.840 1.00 0.00 C ATOM 1962 OG SER B 30 20.481 -3.856 0.923 1.00 0.00 O ATOM 0 H SER B 30 17.836 -5.586 3.214 1.00 0.00 H new ATOM 0 HA SER B 30 18.559 -2.873 2.466 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.214 -4.710 2.786 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.502 -5.597 1.454 1.00 0.00 H new ATOM 0 HG SER B 30 21.332 -4.321 0.779 1.00 0.00 H new ATOM 1968 N GLU B 31 16.743 -4.659 0.434 1.00 0.00 N ATOM 1969 CA GLU B 31 15.984 -4.571 -0.842 1.00 0.00 C ATOM 1970 C GLU B 31 14.740 -3.722 -0.607 1.00 0.00 C ATOM 1971 O GLU B 31 14.158 -3.189 -1.528 1.00 0.00 O ATOM 1972 CB GLU B 31 15.576 -5.970 -1.302 1.00 0.00 C ATOM 1973 CG GLU B 31 15.200 -5.927 -2.785 1.00 0.00 C ATOM 1974 CD GLU B 31 15.981 -7.001 -3.545 1.00 0.00 C ATOM 1975 OE1 GLU B 31 15.482 -8.109 -3.644 1.00 0.00 O ATOM 1976 OE2 GLU B 31 17.064 -6.696 -4.015 1.00 0.00 O ATOM 0 H GLU B 31 16.522 -5.466 1.018 1.00 0.00 H new ATOM 0 HA GLU B 31 16.606 -4.118 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.396 -6.671 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.732 -6.328 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.129 -6.090 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU B 31 15.420 -4.943 -3.198 1.00 0.00 H new ATOM 1983 N LEU B 32 14.340 -3.579 0.626 1.00 0.00 N ATOM 1984 CA LEU B 32 13.150 -2.743 0.929 1.00 0.00 C ATOM 1985 C LEU B 32 13.593 -1.281 0.943 1.00 0.00 C ATOM 1986 O LEU B 32 12.895 -0.399 0.486 1.00 0.00 O ATOM 1987 CB LEU B 32 12.585 -3.128 2.300 1.00 0.00 C ATOM 1988 CG LEU B 32 11.619 -2.044 2.779 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.596 -1.752 1.679 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.891 -2.528 4.035 1.00 0.00 C ATOM 0 H LEU B 32 14.788 -4.007 1.437 1.00 0.00 H new ATOM 0 HA LEU B 32 12.375 -2.896 0.178 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.070 -4.086 2.236 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.396 -3.250 3.018 1.00 0.00 H new ATOM 0 HG LEU B 32 12.177 -1.136 3.009 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.907 -0.979 2.019 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.113 -1.408 0.783 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.039 -2.660 1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.202 -1.755 4.377 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.333 -3.436 3.805 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.619 -2.738 4.819 1.00 0.00 H new ATOM 2002 N LYS B 33 14.767 -1.030 1.455 1.00 0.00 N ATOM 2003 CA LYS B 33 15.296 0.360 1.498 1.00 0.00 C ATOM 2004 C LYS B 33 15.478 0.857 0.069 1.00 0.00 C ATOM 2005 O LYS B 33 15.245 2.009 -0.242 1.00 0.00 O ATOM 2006 CB LYS B 33 16.650 0.349 2.205 1.00 0.00 C ATOM 2007 CG LYS B 33 16.916 1.719 2.831 1.00 0.00 C ATOM 2008 CD LYS B 33 18.418 2.005 2.806 1.00 0.00 C ATOM 2009 CE LYS B 33 18.649 3.516 2.794 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.492 3.879 1.619 1.00 0.00 N ATOM 0 H LYS B 33 15.387 -1.737 1.849 1.00 0.00 H new ATOM 0 HA LYS B 33 14.606 1.013 2.033 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.663 -0.422 2.975 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.440 0.103 1.495 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.378 2.492 2.283 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.547 1.740 3.857 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.898 1.560 3.677 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.871 1.550 1.925 1.00 0.00 H new ATOM 0 HE2 LYS B 33 17.695 4.040 2.747 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.138 3.827 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.650 4.907 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.407 3.389 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.008 3.595 0.743 1.00 0.00 H new ATOM 2024 N GLU B 34 15.886 -0.017 -0.802 1.00 0.00 N ATOM 2025 CA GLU B 34 16.084 0.371 -2.225 1.00 0.00 C ATOM 2026 C GLU B 34 14.721 0.416 -2.904 1.00 0.00 C ATOM 2027 O GLU B 34 14.438 1.265 -3.719 1.00 0.00 O ATOM 2028 CB GLU B 34 16.989 -0.670 -2.904 1.00 0.00 C ATOM 2029 CG GLU B 34 16.175 -1.886 -3.362 1.00 0.00 C ATOM 2030 CD GLU B 34 17.040 -2.764 -4.267 1.00 0.00 C ATOM 2031 OE1 GLU B 34 18.112 -2.318 -4.642 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.618 -3.868 -4.569 1.00 0.00 O ATOM 0 H GLU B 34 16.093 -0.993 -0.589 1.00 0.00 H new ATOM 0 HA GLU B 34 16.557 1.350 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.490 -0.219 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.768 -0.988 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.837 -2.458 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.283 -1.560 -3.897 1.00 0.00 H new ATOM 2039 N LEU B 35 13.879 -0.502 -2.556 1.00 0.00 N ATOM 2040 CA LEU B 35 12.517 -0.547 -3.149 1.00 0.00 C ATOM 2041 C LEU B 35 11.896 0.850 -3.091 1.00 0.00 C ATOM 2042 O LEU B 35 11.379 1.354 -4.068 1.00 0.00 O ATOM 2043 CB LEU B 35 11.661 -1.518 -2.330 1.00 0.00 C ATOM 2044 CG LEU B 35 10.674 -2.239 -3.248 1.00 0.00 C ATOM 2045 CD1 LEU B 35 9.738 -1.218 -3.891 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.446 -2.983 -4.338 1.00 0.00 C ATOM 0 H LEU B 35 14.075 -1.236 -1.876 1.00 0.00 H new ATOM 0 HA LEU B 35 12.569 -0.877 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.299 -2.244 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.121 -0.975 -1.554 1.00 0.00 H new ATOM 0 HG LEU B 35 10.088 -2.951 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.034 -1.732 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.189 -0.687 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.322 -0.506 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.744 -3.498 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.031 -2.271 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.114 -3.711 -3.878 1.00 0.00 H new ATOM 2058 N ILE B 36 11.935 1.469 -1.945 1.00 0.00 N ATOM 2059 CA ILE B 36 11.339 2.829 -1.799 1.00 0.00 C ATOM 2060 C ILE B 36 12.312 3.910 -2.286 1.00 0.00 C ATOM 2061 O ILE B 36 11.962 4.767 -3.072 1.00 0.00 O ATOM 2062 CB ILE B 36 11.003 3.088 -0.325 1.00 0.00 C ATOM 2063 CG1 ILE B 36 10.818 1.749 0.415 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.717 3.916 -0.242 1.00 0.00 C ATOM 2065 CD1 ILE B 36 9.960 1.947 1.670 1.00 0.00 C ATOM 0 H ILE B 36 12.356 1.090 -1.097 1.00 0.00 H new ATOM 0 HA ILE B 36 10.434 2.871 -2.405 1.00 0.00 H new ATOM 0 HB ILE B 36 11.819 3.636 0.145 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.345 1.023 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE B 36 11.790 1.342 0.692 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.472 4.104 0.803 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.862 4.866 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.901 3.368 -0.713 1.00 0.00 H new ATOM 0 HD11 ILE B 36 9.838 0.992 2.182 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.449 2.657 2.337 1.00 0.00 H new ATOM 0 HD13 ILE B 36 8.981 2.333 1.385 1.00 0.00 H new ATOM 2077 N ASN B 37 13.521 3.896 -1.793 1.00 0.00 N ATOM 2078 CA ASN B 37 14.513 4.943 -2.185 1.00 0.00 C ATOM 2079 C ASN B 37 15.016 4.733 -3.617 1.00 0.00 C ATOM 2080 O ASN B 37 15.886 5.444 -4.082 1.00 0.00 O ATOM 2081 CB ASN B 37 15.703 4.873 -1.234 1.00 0.00 C ATOM 2082 CG ASN B 37 16.652 6.038 -1.512 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.453 7.129 -1.019 1.00 0.00 O ATOM 2084 ND2 ASN B 37 17.684 5.851 -2.290 1.00 0.00 N ATOM 0 H ASN B 37 13.868 3.201 -1.132 1.00 0.00 H new ATOM 0 HA ASN B 37 14.023 5.915 -2.131 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.358 4.911 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.227 3.926 -1.361 1.00 0.00 H new ATOM 0 HD21 ASN B 37 18.323 6.622 -2.484 1.00 0.00 H new ATOM 0 HD22 ASN B 37 17.851 4.934 -2.704 1.00 0.00 H new ATOM 2091 N ASN B 38 14.497 3.772 -4.321 1.00 0.00 N ATOM 2092 CA ASN B 38 14.978 3.543 -5.715 1.00 0.00 C ATOM 2093 C ASN B 38 13.822 3.699 -6.705 1.00 0.00 C ATOM 2094 O ASN B 38 13.737 4.674 -7.424 1.00 0.00 O ATOM 2095 CB ASN B 38 15.567 2.135 -5.831 1.00 0.00 C ATOM 2096 CG ASN B 38 16.416 2.037 -7.100 1.00 0.00 C ATOM 2097 OD1 ASN B 38 16.853 3.038 -7.633 1.00 0.00 O ATOM 2098 ND2 ASN B 38 16.671 0.863 -7.611 1.00 0.00 N ATOM 0 H ASN B 38 13.766 3.137 -3.999 1.00 0.00 H new ATOM 0 HA ASN B 38 15.746 4.280 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.176 1.912 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.766 1.396 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN B 38 17.236 0.787 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN B 38 16.305 0.022 -7.165 1.00 0.00 H new ATOM 2105 N GLU B 39 12.934 2.744 -6.757 1.00 0.00 N ATOM 2106 CA GLU B 39 11.795 2.843 -7.710 1.00 0.00 C ATOM 2107 C GLU B 39 10.918 4.043 -7.347 1.00 0.00 C ATOM 2108 O GLU B 39 10.472 4.778 -8.205 1.00 0.00 O ATOM 2109 CB GLU B 39 10.962 1.562 -7.646 1.00 0.00 C ATOM 2110 CG GLU B 39 11.694 0.441 -8.384 1.00 0.00 C ATOM 2111 CD GLU B 39 13.084 0.252 -7.775 1.00 0.00 C ATOM 2112 OE1 GLU B 39 13.157 -0.193 -6.641 1.00 0.00 O ATOM 2113 OE2 GLU B 39 14.052 0.553 -8.454 1.00 0.00 O ATOM 0 H GLU B 39 12.949 1.902 -6.182 1.00 0.00 H new ATOM 0 HA GLU B 39 12.182 2.975 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.792 1.278 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.983 1.729 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU B 39 11.126 -0.486 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU B 39 11.779 0.684 -9.443 1.00 0.00 H new ATOM 2120 N LEU B 40 10.663 4.249 -6.083 1.00 0.00 N ATOM 2121 CA LEU B 40 9.812 5.402 -5.679 1.00 0.00 C ATOM 2122 C LEU B 40 10.625 6.702 -5.798 1.00 0.00 C ATOM 2123 O LEU B 40 10.629 7.327 -6.840 1.00 0.00 O ATOM 2124 CB LEU B 40 9.311 5.187 -4.242 1.00 0.00 C ATOM 2125 CG LEU B 40 7.980 5.911 -4.047 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.180 5.216 -2.941 1.00 0.00 C ATOM 2127 CD2 LEU B 40 8.244 7.364 -3.648 1.00 0.00 C ATOM 0 H LEU B 40 11.006 3.671 -5.316 1.00 0.00 H new ATOM 0 HA LEU B 40 8.945 5.479 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.189 4.122 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.047 5.561 -3.530 1.00 0.00 H new ATOM 0 HG LEU B 40 7.413 5.887 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.230 5.731 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU B 40 6.993 4.180 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.747 5.241 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU B 40 7.295 7.881 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.811 7.388 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.815 7.859 -4.433 1.00 0.00 H new ATOM 2139 N SER B 41 11.326 7.100 -4.759 1.00 0.00 N ATOM 2140 CA SER B 41 12.153 8.348 -4.814 1.00 0.00 C ATOM 2141 C SER B 41 11.519 9.387 -5.746 1.00 0.00 C ATOM 2142 O SER B 41 11.729 9.369 -6.943 1.00 0.00 O ATOM 2143 CB SER B 41 13.550 8.002 -5.328 1.00 0.00 C ATOM 2144 OG SER B 41 14.448 9.048 -4.984 1.00 0.00 O ATOM 0 H SER B 41 11.359 6.607 -3.867 1.00 0.00 H new ATOM 0 HA SER B 41 12.210 8.770 -3.811 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.887 7.060 -4.894 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.529 7.866 -6.409 1.00 0.00 H new ATOM 0 HG SER B 41 15.346 8.829 -5.311 1.00 0.00 H new ATOM 2150 N HIS B 42 10.753 10.299 -5.213 1.00 0.00 N ATOM 2151 CA HIS B 42 10.124 11.333 -6.082 1.00 0.00 C ATOM 2152 C HIS B 42 9.430 12.387 -5.218 1.00 0.00 C ATOM 2153 O HIS B 42 9.708 13.565 -5.318 1.00 0.00 O ATOM 2154 CB HIS B 42 9.096 10.673 -7.001 1.00 0.00 C ATOM 2155 CG HIS B 42 9.063 11.400 -8.317 1.00 0.00 C ATOM 2156 ND1 HIS B 42 9.592 12.672 -8.471 1.00 0.00 N ATOM 2157 CD2 HIS B 42 8.570 11.049 -9.549 1.00 0.00 C ATOM 2158 CE1 HIS B 42 9.407 13.036 -9.753 1.00 0.00 C ATOM 2159 NE2 HIS B 42 8.788 12.083 -10.454 1.00 0.00 N ATOM 0 H HIS B 42 10.536 10.373 -4.219 1.00 0.00 H new ATOM 0 HA HIS B 42 10.897 11.812 -6.683 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.352 9.625 -7.158 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.110 10.694 -6.537 1.00 0.00 H new ATOM 0 HD2 HIS B 42 8.086 10.112 -9.781 1.00 0.00 H new ATOM 0 HE1 HIS B 42 9.721 13.984 -10.165 1.00 0.00 H new ATOM 0 HE2 HIS B 42 8.530 12.108 -11.441 1.00 0.00 H new ATOM 2167 N PHE B 43 8.525 11.976 -4.375 1.00 0.00 N ATOM 2168 CA PHE B 43 7.812 12.958 -3.511 1.00 0.00 C ATOM 2169 C PHE B 43 8.663 13.277 -2.280 1.00 0.00 C ATOM 2170 O PHE B 43 8.296 14.089 -1.454 1.00 0.00 O ATOM 2171 CB PHE B 43 6.473 12.365 -3.067 1.00 0.00 C ATOM 2172 CG PHE B 43 5.884 11.556 -4.198 1.00 0.00 C ATOM 2173 CD1 PHE B 43 5.445 12.196 -5.363 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.777 10.166 -4.081 1.00 0.00 C ATOM 2175 CE1 PHE B 43 4.899 11.445 -6.412 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.233 9.415 -5.130 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.793 10.055 -6.294 1.00 0.00 C ATOM 0 H PHE B 43 8.248 11.003 -4.247 1.00 0.00 H new ATOM 0 HA PHE B 43 7.637 13.875 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.615 11.734 -2.189 1.00 0.00 H new ATOM 0 HB3 PHE B 43 5.787 13.162 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.527 13.269 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.114 9.672 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.560 11.939 -7.311 1.00 0.00 H new ATOM 0 HE2 PHE B 43 5.153 8.342 -5.041 1.00 0.00 H new ATOM 0 HZ PHE B 43 4.371 9.475 -7.102 1.00 0.00 H new ATOM 2187 N LEU B 44 9.799 12.648 -2.149 1.00 0.00 N ATOM 2188 CA LEU B 44 10.668 12.919 -0.970 1.00 0.00 C ATOM 2189 C LEU B 44 11.304 14.304 -1.110 1.00 0.00 C ATOM 2190 O LEU B 44 12.279 14.482 -1.813 1.00 0.00 O ATOM 2191 CB LEU B 44 11.767 11.859 -0.892 1.00 0.00 C ATOM 2192 CG LEU B 44 11.487 10.924 0.286 1.00 0.00 C ATOM 2193 CD1 LEU B 44 11.322 9.492 -0.226 1.00 0.00 C ATOM 2194 CD2 LEU B 44 12.657 10.981 1.270 1.00 0.00 C ATOM 0 H LEU B 44 10.162 11.959 -2.807 1.00 0.00 H new ATOM 0 HA LEU B 44 10.066 12.887 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.806 11.290 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU B 44 12.740 12.336 -0.769 1.00 0.00 H new ATOM 0 HG LEU B 44 10.572 11.237 0.789 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.123 8.826 0.614 1.00 0.00 H new ATOM 0 HD12 LEU B 44 10.489 9.450 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.237 9.178 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU B 44 12.459 10.315 2.110 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.572 10.668 0.766 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.776 12.001 1.636 1.00 0.00 H new ATOM 2206 N GLU B 45 10.758 15.285 -0.445 1.00 0.00 N ATOM 2207 CA GLU B 45 11.328 16.659 -0.537 1.00 0.00 C ATOM 2208 C GLU B 45 11.574 17.197 0.872 1.00 0.00 C ATOM 2209 O GLU B 45 12.691 17.469 1.260 1.00 0.00 O ATOM 2210 CB GLU B 45 10.349 17.587 -1.270 1.00 0.00 C ATOM 2211 CG GLU B 45 9.390 16.762 -2.134 1.00 0.00 C ATOM 2212 CD GLU B 45 8.602 17.694 -3.055 1.00 0.00 C ATOM 2213 OE1 GLU B 45 7.872 18.523 -2.538 1.00 0.00 O ATOM 2214 OE2 GLU B 45 8.741 17.561 -4.259 1.00 0.00 O ATOM 0 H GLU B 45 9.941 15.194 0.159 1.00 0.00 H new ATOM 0 HA GLU B 45 12.267 16.621 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.785 18.177 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU B 45 10.900 18.290 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU B 45 9.949 16.037 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU B 45 8.707 16.197 -1.500 1.00 0.00 H new ATOM 2221 N GLU B 46 10.532 17.346 1.639 1.00 0.00 N ATOM 2222 CA GLU B 46 10.690 17.860 3.028 1.00 0.00 C ATOM 2223 C GLU B 46 10.222 16.792 4.018 1.00 0.00 C ATOM 2224 O GLU B 46 10.673 16.733 5.144 1.00 0.00 O ATOM 2225 CB GLU B 46 9.846 19.125 3.207 1.00 0.00 C ATOM 2226 CG GLU B 46 8.381 18.807 2.908 1.00 0.00 C ATOM 2227 CD GLU B 46 7.604 20.111 2.718 1.00 0.00 C ATOM 2228 OE1 GLU B 46 7.236 20.708 3.717 1.00 0.00 O ATOM 2229 OE2 GLU B 46 7.392 20.490 1.578 1.00 0.00 O ATOM 0 H GLU B 46 9.573 17.133 1.363 1.00 0.00 H new ATOM 0 HA GLU B 46 11.738 18.096 3.211 1.00 0.00 H new ATOM 0 HB2 GLU B 46 9.947 19.501 4.225 1.00 0.00 H new ATOM 0 HB3 GLU B 46 10.202 19.910 2.540 1.00 0.00 H new ATOM 0 HG2 GLU B 46 8.307 18.193 2.010 1.00 0.00 H new ATOM 0 HG3 GLU B 46 7.949 18.230 3.725 1.00 0.00 H new ATOM 2236 N ILE B 47 9.321 15.945 3.603 1.00 0.00 N ATOM 2237 CA ILE B 47 8.826 14.878 4.516 1.00 0.00 C ATOM 2238 C ILE B 47 8.061 15.510 5.681 1.00 0.00 C ATOM 2239 O ILE B 47 8.625 16.202 6.504 1.00 0.00 O ATOM 2240 CB ILE B 47 10.015 14.085 5.059 1.00 0.00 C ATOM 2241 CG1 ILE B 47 10.899 13.632 3.894 1.00 0.00 C ATOM 2242 CG2 ILE B 47 9.507 12.859 5.820 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.350 14.023 4.174 1.00 0.00 C ATOM 0 H ILE B 47 8.906 15.946 2.671 1.00 0.00 H new ATOM 0 HA ILE B 47 8.160 14.212 3.967 1.00 0.00 H new ATOM 0 HB ILE B 47 10.595 14.715 5.733 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.821 12.553 3.762 1.00 0.00 H new ATOM 0 HG13 ILE B 47 10.560 14.092 2.966 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.355 12.294 6.207 1.00 0.00 H new ATOM 0 HG22 ILE B 47 8.877 13.181 6.649 1.00 0.00 H new ATOM 0 HG23 ILE B 47 8.927 12.228 5.147 1.00 0.00 H new ATOM 0 HD11 ILE B 47 12.980 13.701 3.345 1.00 0.00 H new ATOM 0 HD12 ILE B 47 12.420 15.105 4.284 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.686 13.542 5.093 1.00 0.00 H new ATOM 2255 N LYS B 48 6.780 15.275 5.761 1.00 0.00 N ATOM 2256 CA LYS B 48 5.984 15.858 6.877 1.00 0.00 C ATOM 2257 C LYS B 48 5.975 14.879 8.053 1.00 0.00 C ATOM 2258 O LYS B 48 6.121 15.263 9.197 1.00 0.00 O ATOM 2259 CB LYS B 48 4.549 16.110 6.409 1.00 0.00 C ATOM 2260 CG LYS B 48 3.906 17.187 7.286 1.00 0.00 C ATOM 2261 CD LYS B 48 2.957 16.530 8.291 1.00 0.00 C ATOM 2262 CE LYS B 48 1.620 17.272 8.291 1.00 0.00 C ATOM 2263 NZ LYS B 48 0.508 16.294 8.133 1.00 0.00 N ATOM 0 H LYS B 48 6.251 14.705 5.102 1.00 0.00 H new ATOM 0 HA LYS B 48 6.430 16.802 7.189 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.546 16.426 5.366 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.970 15.188 6.464 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.677 17.750 7.812 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.360 17.898 6.666 1.00 0.00 H new ATOM 0 HD2 LYS B 48 2.804 15.483 8.031 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.396 16.550 9.288 1.00 0.00 H new ATOM 0 HE2 LYS B 48 1.500 17.827 9.221 1.00 0.00 H new ATOM 0 HE3 LYS B 48 1.596 18.000 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.401 16.799 8.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 0.620 15.783 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.527 15.616 8.921 1.00 0.00 H new ATOM 2277 N GLU B 49 5.807 13.614 7.779 1.00 0.00 N ATOM 2278 CA GLU B 49 5.794 12.607 8.876 1.00 0.00 C ATOM 2279 C GLU B 49 7.225 12.140 9.149 1.00 0.00 C ATOM 2280 O GLU B 49 7.552 10.983 8.980 1.00 0.00 O ATOM 2281 CB GLU B 49 4.938 11.410 8.459 1.00 0.00 C ATOM 2282 CG GLU B 49 3.513 11.594 8.981 1.00 0.00 C ATOM 2283 CD GLU B 49 3.507 11.465 10.506 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.295 10.688 11.018 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.714 12.146 11.136 1.00 0.00 O ATOM 0 H GLU B 49 5.678 13.235 6.841 1.00 0.00 H new ATOM 0 HA GLU B 49 5.376 13.054 9.778 1.00 0.00 H new ATOM 0 HB2 GLU B 49 4.929 11.317 7.373 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.365 10.489 8.855 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.130 12.571 8.687 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.853 10.847 8.540 1.00 0.00 H new ATOM 2292 N GLN B 50 8.080 13.031 9.566 1.00 0.00 N ATOM 2293 CA GLN B 50 9.488 12.638 9.847 1.00 0.00 C ATOM 2294 C GLN B 50 9.505 11.390 10.731 1.00 0.00 C ATOM 2295 O GLN B 50 10.469 10.654 10.760 1.00 0.00 O ATOM 2296 CB GLN B 50 10.204 13.782 10.567 1.00 0.00 C ATOM 2297 CG GLN B 50 11.715 13.549 10.519 1.00 0.00 C ATOM 2298 CD GLN B 50 12.427 14.646 11.310 1.00 0.00 C ATOM 2299 OE1 GLN B 50 12.568 14.550 12.513 1.00 0.00 O ATOM 2300 NE2 GLN B 50 12.887 15.694 10.681 1.00 0.00 N ATOM 0 H GLN B 50 7.864 14.015 9.724 1.00 0.00 H new ATOM 0 HA GLN B 50 9.998 12.424 8.908 1.00 0.00 H new ATOM 0 HB2 GLN B 50 9.957 14.733 10.096 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.867 13.842 11.602 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.956 12.571 10.936 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.061 13.549 9.485 1.00 0.00 H new ATOM 0 HE21 GLN B 50 12.769 15.775 9.671 1.00 0.00 H new ATOM 0 HE22 GLN B 50 13.364 16.431 11.200 1.00 0.00 H new ATOM 2309 N GLU B 51 8.446 11.148 11.453 1.00 0.00 N ATOM 2310 CA GLU B 51 8.402 9.949 12.337 1.00 0.00 C ATOM 2311 C GLU B 51 8.098 8.703 11.501 1.00 0.00 C ATOM 2312 O GLU B 51 8.680 7.655 11.699 1.00 0.00 O ATOM 2313 CB GLU B 51 7.309 10.133 13.393 1.00 0.00 C ATOM 2314 CG GLU B 51 7.577 9.200 14.576 1.00 0.00 C ATOM 2315 CD GLU B 51 6.358 9.183 15.499 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.899 10.252 15.864 1.00 0.00 O ATOM 2317 OE2 GLU B 51 5.903 8.100 15.826 1.00 0.00 O ATOM 0 H GLU B 51 7.608 11.729 11.469 1.00 0.00 H new ATOM 0 HA GLU B 51 9.367 9.828 12.828 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.287 11.169 13.731 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.332 9.918 12.961 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.789 8.193 14.218 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.457 9.535 15.125 1.00 0.00 H new ATOM 2324 N VAL B 52 7.190 8.805 10.569 1.00 0.00 N ATOM 2325 CA VAL B 52 6.852 7.622 9.726 1.00 0.00 C ATOM 2326 C VAL B 52 8.086 7.182 8.939 1.00 0.00 C ATOM 2327 O VAL B 52 8.499 6.041 9.001 1.00 0.00 O ATOM 2328 CB VAL B 52 5.736 7.991 8.747 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.523 6.843 7.761 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.440 8.237 9.522 1.00 0.00 C ATOM 0 H VAL B 52 6.668 9.655 10.355 1.00 0.00 H new ATOM 0 HA VAL B 52 6.520 6.807 10.369 1.00 0.00 H new ATOM 0 HB VAL B 52 6.015 8.893 8.203 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.728 7.106 7.063 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.445 6.662 7.209 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.244 5.942 8.307 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.644 8.500 8.825 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.163 7.333 10.065 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.588 9.053 10.229 1.00 0.00 H new ATOM 2340 N VAL B 53 8.677 8.075 8.195 1.00 0.00 N ATOM 2341 CA VAL B 53 9.881 7.704 7.401 1.00 0.00 C ATOM 2342 C VAL B 53 11.036 7.376 8.342 1.00 0.00 C ATOM 2343 O VAL B 53 11.914 6.606 8.013 1.00 0.00 O ATOM 2344 CB VAL B 53 10.276 8.872 6.498 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.588 8.544 5.783 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.177 9.111 5.460 1.00 0.00 C ATOM 0 H VAL B 53 8.378 9.046 8.103 1.00 0.00 H new ATOM 0 HA VAL B 53 9.654 6.831 6.789 1.00 0.00 H new ATOM 0 HB VAL B 53 10.406 9.769 7.103 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.870 9.377 5.139 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.372 8.375 6.521 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.458 7.646 5.179 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.459 9.944 4.816 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.046 8.214 4.855 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.242 9.346 5.968 1.00 0.00 H new ATOM 2356 N ASP B 54 11.046 7.948 9.513 1.00 0.00 N ATOM 2357 CA ASP B 54 12.147 7.655 10.468 1.00 0.00 C ATOM 2358 C ASP B 54 11.924 6.272 11.078 1.00 0.00 C ATOM 2359 O ASP B 54 12.842 5.633 11.547 1.00 0.00 O ATOM 2360 CB ASP B 54 12.160 8.705 11.580 1.00 0.00 C ATOM 2361 CG ASP B 54 12.932 9.938 11.107 1.00 0.00 C ATOM 2362 OD1 ASP B 54 13.397 9.925 9.979 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.047 10.873 11.882 1.00 0.00 O ATOM 0 H ASP B 54 10.341 8.604 9.849 1.00 0.00 H new ATOM 0 HA ASP B 54 13.101 7.678 9.942 1.00 0.00 H new ATOM 0 HB2 ASP B 54 11.140 8.981 11.846 1.00 0.00 H new ATOM 0 HB3 ASP B 54 12.623 8.295 12.477 1.00 0.00 H new ATOM 2368 N LYS B 55 10.706 5.804 11.076 1.00 0.00 N ATOM 2369 CA LYS B 55 10.424 4.464 11.659 1.00 0.00 C ATOM 2370 C LYS B 55 10.818 3.374 10.662 1.00 0.00 C ATOM 2371 O LYS B 55 11.541 2.454 10.990 1.00 0.00 O ATOM 2372 CB LYS B 55 8.933 4.350 11.980 1.00 0.00 C ATOM 2373 CG LYS B 55 8.751 3.619 13.312 1.00 0.00 C ATOM 2374 CD LYS B 55 7.857 4.451 14.234 1.00 0.00 C ATOM 2375 CE LYS B 55 6.798 3.549 14.870 1.00 0.00 C ATOM 2376 NZ LYS B 55 7.076 3.407 16.327 1.00 0.00 N ATOM 0 H LYS B 55 9.895 6.292 10.696 1.00 0.00 H new ATOM 0 HA LYS B 55 11.003 4.340 12.574 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.485 5.342 12.034 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.419 3.811 11.184 1.00 0.00 H new ATOM 0 HG2 LYS B 55 8.305 2.639 13.143 1.00 0.00 H new ATOM 0 HG3 LYS B 55 9.720 3.451 13.782 1.00 0.00 H new ATOM 0 HD2 LYS B 55 8.458 4.926 15.009 1.00 0.00 H new ATOM 0 HD3 LYS B 55 7.377 5.250 13.669 1.00 0.00 H new ATOM 0 HE2 LYS B 55 5.805 3.973 14.718 1.00 0.00 H new ATOM 0 HE3 LYS B 55 6.804 2.570 14.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 6.356 2.794 16.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 8.017 2.985 16.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.049 4.344 16.778 1.00 0.00 H new ATOM 2390 N VAL B 56 10.351 3.462 9.446 1.00 0.00 N ATOM 2391 CA VAL B 56 10.707 2.424 8.443 1.00 0.00 C ATOM 2392 C VAL B 56 12.181 2.570 8.072 1.00 0.00 C ATOM 2393 O VAL B 56 12.895 1.599 7.913 1.00 0.00 O ATOM 2394 CB VAL B 56 9.840 2.601 7.197 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.406 2.172 7.510 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.846 4.067 6.755 1.00 0.00 C ATOM 0 H VAL B 56 9.741 4.206 9.107 1.00 0.00 H new ATOM 0 HA VAL B 56 10.534 1.432 8.861 1.00 0.00 H new ATOM 0 HB VAL B 56 10.243 1.984 6.393 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.787 2.298 6.622 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.397 1.125 7.813 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.010 2.787 8.318 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.225 4.182 5.866 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.451 4.690 7.557 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.867 4.374 6.527 1.00 0.00 H new ATOM 2406 N MET B 57 12.640 3.778 7.939 1.00 0.00 N ATOM 2407 CA MET B 57 14.067 4.007 7.588 1.00 0.00 C ATOM 2408 C MET B 57 14.944 3.584 8.765 1.00 0.00 C ATOM 2409 O MET B 57 16.085 3.211 8.593 1.00 0.00 O ATOM 2410 CB MET B 57 14.282 5.492 7.296 1.00 0.00 C ATOM 2411 CG MET B 57 15.568 5.676 6.491 1.00 0.00 C ATOM 2412 SD MET B 57 15.408 4.837 4.894 1.00 0.00 S ATOM 2413 CE MET B 57 13.828 5.570 4.407 1.00 0.00 C ATOM 0 H MET B 57 12.084 4.625 8.059 1.00 0.00 H new ATOM 0 HA MET B 57 14.331 3.423 6.707 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.433 5.890 6.740 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.342 6.051 8.230 1.00 0.00 H new ATOM 0 HG2 MET B 57 15.765 6.737 6.338 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.416 5.271 7.043 1.00 0.00 H new ATOM 0 HE1 MET B 57 13.735 5.545 3.321 1.00 0.00 H new ATOM 0 HE2 MET B 57 13.011 5.004 4.855 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.785 6.603 4.751 1.00 0.00 H new ATOM 2423 N GLU B 58 14.423 3.637 9.963 1.00 0.00 N ATOM 2424 CA GLU B 58 15.238 3.228 11.141 1.00 0.00 C ATOM 2425 C GLU B 58 15.386 1.707 11.144 1.00 0.00 C ATOM 2426 O GLU B 58 16.476 1.183 11.249 1.00 0.00 O ATOM 2427 CB GLU B 58 14.548 3.680 12.428 1.00 0.00 C ATOM 2428 CG GLU B 58 15.085 5.051 12.838 1.00 0.00 C ATOM 2429 CD GLU B 58 15.974 4.904 14.074 1.00 0.00 C ATOM 2430 OE1 GLU B 58 15.430 4.779 15.159 1.00 0.00 O ATOM 2431 OE2 GLU B 58 17.183 4.921 13.914 1.00 0.00 O ATOM 0 H GLU B 58 13.474 3.944 10.174 1.00 0.00 H new ATOM 0 HA GLU B 58 16.223 3.692 11.083 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.470 3.730 12.277 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.726 2.955 13.223 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.654 5.490 12.018 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.258 5.728 13.051 1.00 0.00 H new ATOM 2438 N THR B 59 14.302 0.989 11.015 1.00 0.00 N ATOM 2439 CA THR B 59 14.402 -0.495 10.995 1.00 0.00 C ATOM 2440 C THR B 59 15.171 -0.908 9.742 1.00 0.00 C ATOM 2441 O THR B 59 15.768 -1.963 9.677 1.00 0.00 O ATOM 2442 CB THR B 59 12.999 -1.106 10.963 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.213 -0.538 12.001 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.094 -2.619 11.162 1.00 0.00 C ATOM 0 H THR B 59 13.358 1.365 10.923 1.00 0.00 H new ATOM 0 HA THR B 59 14.919 -0.848 11.887 1.00 0.00 H new ATOM 0 HB THR B 59 12.534 -0.898 9.999 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.314 -0.927 11.981 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.094 -3.052 11.139 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.696 -3.054 10.364 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.559 -2.831 12.125 1.00 0.00 H new ATOM 2452 N LEU B 60 15.158 -0.066 8.746 1.00 0.00 N ATOM 2453 CA LEU B 60 15.879 -0.370 7.482 1.00 0.00 C ATOM 2454 C LEU B 60 17.389 -0.302 7.721 1.00 0.00 C ATOM 2455 O LEU B 60 18.122 -1.218 7.406 1.00 0.00 O ATOM 2456 CB LEU B 60 15.484 0.673 6.437 1.00 0.00 C ATOM 2457 CG LEU B 60 14.311 0.147 5.614 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.889 1.202 4.591 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.732 -1.131 4.884 1.00 0.00 C ATOM 0 H LEU B 60 14.672 0.831 8.756 1.00 0.00 H new ATOM 0 HA LEU B 60 15.618 -1.370 7.136 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.209 1.608 6.926 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.331 0.890 5.786 1.00 0.00 H new ATOM 0 HG LEU B 60 13.473 -0.071 6.276 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.051 0.825 4.004 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.588 2.112 5.110 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.726 1.422 3.929 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.895 -1.507 4.296 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.571 -0.913 4.223 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.031 -1.885 5.613 1.00 0.00 H new ATOM 2471 N ASP B 61 17.856 0.785 8.268 1.00 0.00 N ATOM 2472 CA ASP B 61 19.315 0.934 8.523 1.00 0.00 C ATOM 2473 C ASP B 61 19.722 0.100 9.741 1.00 0.00 C ATOM 2474 O ASP B 61 20.890 -0.144 9.970 1.00 0.00 O ATOM 2475 CB ASP B 61 19.629 2.407 8.792 1.00 0.00 C ATOM 2476 CG ASP B 61 20.901 2.804 8.040 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.808 3.057 6.850 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.945 2.847 8.668 1.00 0.00 O ATOM 0 H ASP B 61 17.285 1.582 8.551 1.00 0.00 H new ATOM 0 HA ASP B 61 19.870 0.587 7.651 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.795 3.032 8.472 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.760 2.572 9.861 1.00 0.00 H new ATOM 2483 N GLU B 62 18.777 -0.336 10.527 1.00 0.00 N ATOM 2484 CA GLU B 62 19.128 -1.145 11.728 1.00 0.00 C ATOM 2485 C GLU B 62 19.421 -2.587 11.310 1.00 0.00 C ATOM 2486 O GLU B 62 20.272 -3.245 11.873 1.00 0.00 O ATOM 2487 CB GLU B 62 17.963 -1.129 12.720 1.00 0.00 C ATOM 2488 CG GLU B 62 18.422 -1.725 14.053 1.00 0.00 C ATOM 2489 CD GLU B 62 17.351 -1.488 15.118 1.00 0.00 C ATOM 2490 OE1 GLU B 62 17.359 -0.423 15.713 1.00 0.00 O ATOM 2491 OE2 GLU B 62 16.541 -2.376 15.322 1.00 0.00 O ATOM 0 H GLU B 62 17.780 -0.168 10.391 1.00 0.00 H new ATOM 0 HA GLU B 62 20.012 -0.718 12.201 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.611 -0.108 12.868 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.125 -1.701 12.323 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.607 -2.793 13.941 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.363 -1.269 14.362 1.00 0.00 H new ATOM 2498 N ASP B 63 18.721 -3.084 10.329 1.00 0.00 N ATOM 2499 CA ASP B 63 18.962 -4.483 9.880 1.00 0.00 C ATOM 2500 C ASP B 63 18.903 -4.551 8.352 1.00 0.00 C ATOM 2501 O ASP B 63 18.251 -5.404 7.785 1.00 0.00 O ATOM 2502 CB ASP B 63 17.891 -5.399 10.474 1.00 0.00 C ATOM 2503 CG ASP B 63 18.187 -5.640 11.955 1.00 0.00 C ATOM 2504 OD1 ASP B 63 18.927 -6.566 12.248 1.00 0.00 O ATOM 2505 OD2 ASP B 63 17.670 -4.896 12.773 1.00 0.00 O ATOM 0 H ASP B 63 17.993 -2.583 9.819 1.00 0.00 H new ATOM 0 HA ASP B 63 19.947 -4.807 10.217 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.906 -4.947 10.358 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.871 -6.348 9.938 1.00 0.00 H new ATOM 2510 N GLY B 64 19.580 -3.661 7.681 1.00 0.00 N ATOM 2511 CA GLY B 64 19.563 -3.680 6.191 1.00 0.00 C ATOM 2512 C GLY B 64 19.826 -5.104 5.698 1.00 0.00 C ATOM 2513 O GLY B 64 19.421 -5.483 4.618 1.00 0.00 O ATOM 0 H GLY B 64 20.144 -2.921 8.100 1.00 0.00 H new ATOM 0 HA2 GLY B 64 18.599 -3.328 5.823 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.321 -3.002 5.799 1.00 0.00 H new ATOM 2517 N ASP B 65 20.503 -5.895 6.485 1.00 0.00 N ATOM 2518 CA ASP B 65 20.792 -7.295 6.064 1.00 0.00 C ATOM 2519 C ASP B 65 19.828 -8.249 6.773 1.00 0.00 C ATOM 2520 O ASP B 65 20.221 -9.284 7.273 1.00 0.00 O ATOM 2521 CB ASP B 65 22.232 -7.652 6.436 1.00 0.00 C ATOM 2522 CG ASP B 65 22.524 -9.095 6.022 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.704 -9.325 4.837 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.564 -9.944 6.897 1.00 0.00 O ATOM 0 H ASP B 65 20.868 -5.632 7.401 1.00 0.00 H new ATOM 0 HA ASP B 65 20.664 -7.385 4.985 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.926 -6.973 5.940 1.00 0.00 H new ATOM 0 HB3 ASP B 65 22.382 -7.533 7.509 1.00 0.00 H new ATOM 2529 N GLY B 66 18.570 -7.908 6.824 1.00 0.00 N ATOM 2530 CA GLY B 66 17.584 -8.792 7.500 1.00 0.00 C ATOM 2531 C GLY B 66 16.598 -9.347 6.470 1.00 0.00 C ATOM 2532 O GLY B 66 16.800 -9.229 5.278 1.00 0.00 O ATOM 0 H GLY B 66 18.183 -7.053 6.425 1.00 0.00 H new ATOM 0 HA2 GLY B 66 18.099 -9.611 8.002 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.047 -8.234 8.268 1.00 0.00 H new ATOM 2536 N GLU B 67 15.535 -9.955 6.922 1.00 0.00 N ATOM 2537 CA GLU B 67 14.537 -10.520 5.969 1.00 0.00 C ATOM 2538 C GLU B 67 13.164 -9.902 6.241 1.00 0.00 C ATOM 2539 O GLU B 67 12.736 -9.793 7.373 1.00 0.00 O ATOM 2540 CB GLU B 67 14.457 -12.036 6.154 1.00 0.00 C ATOM 2541 CG GLU B 67 14.209 -12.357 7.631 1.00 0.00 C ATOM 2542 CD GLU B 67 14.011 -13.864 7.800 1.00 0.00 C ATOM 2543 OE1 GLU B 67 14.773 -14.612 7.212 1.00 0.00 O ATOM 2544 OE2 GLU B 67 13.100 -14.244 8.517 1.00 0.00 O ATOM 0 H GLU B 67 15.314 -10.085 7.909 1.00 0.00 H new ATOM 0 HA GLU B 67 14.842 -10.293 4.948 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.654 -12.446 5.542 1.00 0.00 H new ATOM 0 HB3 GLU B 67 15.383 -12.503 5.820 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.053 -12.021 8.234 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.329 -11.822 7.988 1.00 0.00 H new ATOM 2551 N CYS B 68 12.471 -9.497 5.212 1.00 0.00 N ATOM 2552 CA CYS B 68 11.125 -8.888 5.415 1.00 0.00 C ATOM 2553 C CYS B 68 10.083 -9.685 4.634 1.00 0.00 C ATOM 2554 O CYS B 68 10.406 -10.432 3.731 1.00 0.00 O ATOM 2555 CB CYS B 68 11.138 -7.442 4.918 1.00 0.00 C ATOM 2556 SG CYS B 68 10.607 -6.342 6.253 1.00 0.00 S ATOM 0 H CYS B 68 12.777 -9.561 4.241 1.00 0.00 H new ATOM 0 HA CYS B 68 10.876 -8.905 6.476 1.00 0.00 H new ATOM 0 HB2 CYS B 68 12.139 -7.170 4.584 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.476 -7.335 4.059 1.00 0.00 H new ATOM 0 HG CYS B 68 10.620 -5.112 5.833 1.00 0.00 H new ATOM 2562 N ASP B 69 8.833 -9.533 4.971 1.00 0.00 N ATOM 2563 CA ASP B 69 7.773 -10.281 4.243 1.00 0.00 C ATOM 2564 C ASP B 69 7.180 -9.381 3.163 1.00 0.00 C ATOM 2565 O ASP B 69 7.375 -8.184 3.165 1.00 0.00 O ATOM 2566 CB ASP B 69 6.674 -10.696 5.223 1.00 0.00 C ATOM 2567 CG ASP B 69 7.304 -11.369 6.443 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.709 -12.512 6.321 1.00 0.00 O ATOM 2569 OD2 ASP B 69 7.369 -10.729 7.480 1.00 0.00 O ATOM 0 H ASP B 69 8.501 -8.924 5.718 1.00 0.00 H new ATOM 0 HA ASP B 69 8.201 -11.173 3.785 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.100 -9.823 5.533 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.978 -11.379 4.737 1.00 0.00 H new ATOM 2574 N PHE B 70 6.455 -9.942 2.237 1.00 0.00 N ATOM 2575 CA PHE B 70 5.854 -9.104 1.166 1.00 0.00 C ATOM 2576 C PHE B 70 4.849 -8.135 1.792 1.00 0.00 C ATOM 2577 O PHE B 70 4.847 -6.956 1.500 1.00 0.00 O ATOM 2578 CB PHE B 70 5.145 -10.006 0.153 1.00 0.00 C ATOM 2579 CG PHE B 70 3.871 -10.545 0.760 1.00 0.00 C ATOM 2580 CD1 PHE B 70 3.897 -11.734 1.497 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.666 -9.857 0.584 1.00 0.00 C ATOM 2582 CE1 PHE B 70 2.717 -12.236 2.060 1.00 0.00 C ATOM 2583 CE2 PHE B 70 1.486 -10.357 1.147 1.00 0.00 C ATOM 2584 CZ PHE B 70 1.511 -11.547 1.884 1.00 0.00 C ATOM 0 H PHE B 70 6.254 -10.940 2.176 1.00 0.00 H new ATOM 0 HA PHE B 70 6.634 -8.538 0.657 1.00 0.00 H new ATOM 0 HB2 PHE B 70 4.919 -9.445 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.799 -10.829 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.828 -12.265 1.632 1.00 0.00 H new ATOM 0 HD2 PHE B 70 2.646 -8.940 0.014 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.737 -13.154 2.629 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.556 -9.825 1.013 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.600 -11.933 2.317 1.00 0.00 H new ATOM 2594 N GLN B 71 4.000 -8.620 2.657 1.00 0.00 N ATOM 2595 CA GLN B 71 3.005 -7.720 3.302 1.00 0.00 C ATOM 2596 C GLN B 71 3.741 -6.714 4.186 1.00 0.00 C ATOM 2597 O GLN B 71 3.263 -5.627 4.434 1.00 0.00 O ATOM 2598 CB GLN B 71 2.031 -8.548 4.147 1.00 0.00 C ATOM 2599 CG GLN B 71 2.694 -8.964 5.463 1.00 0.00 C ATOM 2600 CD GLN B 71 2.070 -8.177 6.616 1.00 0.00 C ATOM 2601 OE1 GLN B 71 1.975 -8.668 7.723 1.00 0.00 O ATOM 2602 NE2 GLN B 71 1.635 -6.966 6.401 1.00 0.00 N ATOM 0 H GLN B 71 3.953 -9.598 2.944 1.00 0.00 H new ATOM 0 HA GLN B 71 2.441 -7.186 2.538 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.132 -7.967 4.352 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.719 -9.433 3.593 1.00 0.00 H new ATOM 0 HG2 GLN B 71 2.564 -10.034 5.626 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.767 -8.776 5.418 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.714 -6.553 5.472 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.215 -6.432 7.162 1.00 0.00 H new ATOM 2611 N GLU B 72 4.907 -7.065 4.653 1.00 0.00 N ATOM 2612 CA GLU B 72 5.679 -6.122 5.505 1.00 0.00 C ATOM 2613 C GLU B 72 6.178 -4.978 4.623 1.00 0.00 C ATOM 2614 O GLU B 72 5.726 -3.857 4.730 1.00 0.00 O ATOM 2615 CB GLU B 72 6.870 -6.857 6.127 1.00 0.00 C ATOM 2616 CG GLU B 72 6.476 -7.394 7.505 1.00 0.00 C ATOM 2617 CD GLU B 72 7.530 -6.986 8.534 1.00 0.00 C ATOM 2618 OE1 GLU B 72 7.692 -5.796 8.747 1.00 0.00 O ATOM 2619 OE2 GLU B 72 8.158 -7.870 9.093 1.00 0.00 O ATOM 0 H GLU B 72 5.357 -7.964 4.481 1.00 0.00 H new ATOM 0 HA GLU B 72 5.050 -5.729 6.304 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.182 -7.678 5.481 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.721 -6.181 6.218 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.500 -7.003 7.794 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.387 -8.480 7.472 1.00 0.00 H new ATOM 2626 N PHE B 73 7.092 -5.261 3.736 1.00 0.00 N ATOM 2627 CA PHE B 73 7.605 -4.202 2.826 1.00 0.00 C ATOM 2628 C PHE B 73 6.405 -3.461 2.224 1.00 0.00 C ATOM 2629 O PHE B 73 6.484 -2.300 1.876 1.00 0.00 O ATOM 2630 CB PHE B 73 8.463 -4.870 1.726 1.00 0.00 C ATOM 2631 CG PHE B 73 7.918 -4.583 0.340 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.958 -5.432 -0.223 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.371 -3.469 -0.375 1.00 0.00 C ATOM 2634 CE1 PHE B 73 6.454 -5.167 -1.502 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.866 -3.204 -1.654 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.908 -4.053 -2.217 1.00 0.00 C ATOM 0 H PHE B 73 7.506 -6.184 3.603 1.00 0.00 H new ATOM 0 HA PHE B 73 8.227 -3.484 3.361 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.489 -4.510 1.796 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.492 -5.947 1.890 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.606 -6.291 0.329 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.111 -2.813 0.060 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.714 -5.823 -1.937 1.00 0.00 H new ATOM 0 HE2 PHE B 73 8.216 -2.344 -2.205 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.519 -3.849 -3.203 1.00 0.00 H new ATOM 2646 N MET B 74 5.297 -4.137 2.095 1.00 0.00 N ATOM 2647 CA MET B 74 4.090 -3.496 1.514 1.00 0.00 C ATOM 2648 C MET B 74 3.611 -2.371 2.432 1.00 0.00 C ATOM 2649 O MET B 74 3.510 -1.229 2.030 1.00 0.00 O ATOM 2650 CB MET B 74 2.990 -4.548 1.371 1.00 0.00 C ATOM 2651 CG MET B 74 3.133 -5.261 0.024 1.00 0.00 C ATOM 2652 SD MET B 74 2.975 -4.060 -1.319 1.00 0.00 S ATOM 2653 CE MET B 74 1.351 -3.419 -0.853 1.00 0.00 C ATOM 0 H MET B 74 5.178 -5.112 2.370 1.00 0.00 H new ATOM 0 HA MET B 74 4.330 -3.078 0.536 1.00 0.00 H new ATOM 0 HB2 MET B 74 3.056 -5.270 2.185 1.00 0.00 H new ATOM 0 HB3 MET B 74 2.010 -4.076 1.442 1.00 0.00 H new ATOM 0 HG2 MET B 74 4.100 -5.761 -0.033 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.369 -6.033 -0.073 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.806 -3.124 -1.749 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.792 -4.192 -0.326 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.475 -2.554 -0.202 1.00 0.00 H new ATOM 2663 N ALA B 75 3.317 -2.681 3.666 1.00 0.00 N ATOM 2664 CA ALA B 75 2.849 -1.627 4.606 1.00 0.00 C ATOM 2665 C ALA B 75 3.950 -0.579 4.769 1.00 0.00 C ATOM 2666 O ALA B 75 3.693 0.555 5.119 1.00 0.00 O ATOM 2667 CB ALA B 75 2.532 -2.257 5.966 1.00 0.00 C ATOM 0 H ALA B 75 3.381 -3.619 4.062 1.00 0.00 H new ATOM 0 HA ALA B 75 1.949 -1.155 4.212 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.189 -1.484 6.654 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.751 -3.008 5.846 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.430 -2.728 6.367 1.00 0.00 H new ATOM 2673 N PHE B 76 5.172 -0.951 4.506 1.00 0.00 N ATOM 2674 CA PHE B 76 6.295 0.019 4.632 1.00 0.00 C ATOM 2675 C PHE B 76 6.257 0.974 3.438 1.00 0.00 C ATOM 2676 O PHE B 76 6.607 2.132 3.539 1.00 0.00 O ATOM 2677 CB PHE B 76 7.623 -0.743 4.638 1.00 0.00 C ATOM 2678 CG PHE B 76 8.171 -0.796 6.044 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.336 -1.154 7.111 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.516 -0.491 6.281 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.846 -1.204 8.414 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.026 -0.541 7.585 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.192 -0.898 8.651 1.00 0.00 C ATOM 0 H PHE B 76 5.442 -1.889 4.208 1.00 0.00 H new ATOM 0 HA PHE B 76 6.200 0.584 5.559 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.476 -1.753 4.256 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.338 -0.253 3.977 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.298 -1.391 6.928 1.00 0.00 H new ATOM 0 HD2 PHE B 76 10.161 -0.217 5.459 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.202 -1.478 9.236 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.064 -0.304 7.768 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.586 -0.937 9.656 1.00 0.00 H new ATOM 2693 N VAL B 77 5.822 0.489 2.307 1.00 0.00 N ATOM 2694 CA VAL B 77 5.743 1.351 1.094 1.00 0.00 C ATOM 2695 C VAL B 77 4.633 2.386 1.284 1.00 0.00 C ATOM 2696 O VAL B 77 4.655 3.449 0.700 1.00 0.00 O ATOM 2697 CB VAL B 77 5.422 0.470 -0.116 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.123 1.340 -1.338 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.618 -0.435 -0.418 1.00 0.00 C ATOM 0 H VAL B 77 5.516 -0.474 2.171 1.00 0.00 H new ATOM 0 HA VAL B 77 6.692 1.864 0.935 1.00 0.00 H new ATOM 0 HB VAL B 77 4.546 -0.138 0.111 1.00 0.00 H new ATOM 0 HG11 VAL B 77 4.896 0.702 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.268 1.982 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL B 77 5.992 1.957 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.391 -1.063 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.492 0.178 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.824 -1.066 0.447 1.00 0.00 H new ATOM 2709 N SER B 78 3.659 2.076 2.095 1.00 0.00 N ATOM 2710 CA SER B 78 2.539 3.037 2.319 1.00 0.00 C ATOM 2711 C SER B 78 2.969 4.136 3.297 1.00 0.00 C ATOM 2712 O SER B 78 2.873 5.310 3.003 1.00 0.00 O ATOM 2713 CB SER B 78 1.342 2.287 2.902 1.00 0.00 C ATOM 2714 OG SER B 78 1.767 1.526 4.024 1.00 0.00 O ATOM 0 H SER B 78 3.589 1.200 2.612 1.00 0.00 H new ATOM 0 HA SER B 78 2.268 3.494 1.367 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.566 2.992 3.199 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.906 1.632 2.148 1.00 0.00 H new ATOM 0 HG SER B 78 2.736 1.388 3.978 1.00 0.00 H new ATOM 2720 N MET B 79 3.429 3.767 4.462 1.00 0.00 N ATOM 2721 CA MET B 79 3.848 4.802 5.458 1.00 0.00 C ATOM 2722 C MET B 79 4.767 5.816 4.782 1.00 0.00 C ATOM 2723 O MET B 79 4.594 7.010 4.911 1.00 0.00 O ATOM 2724 CB MET B 79 4.606 4.163 6.631 1.00 0.00 C ATOM 2725 CG MET B 79 4.211 2.697 6.800 1.00 0.00 C ATOM 2726 SD MET B 79 4.660 2.144 8.464 1.00 0.00 S ATOM 2727 CE MET B 79 3.579 0.697 8.518 1.00 0.00 C ATOM 0 H MET B 79 3.533 2.800 4.769 1.00 0.00 H new ATOM 0 HA MET B 79 2.950 5.290 5.838 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.680 4.237 6.459 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.392 4.710 7.549 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.139 2.577 6.641 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.715 2.084 6.052 1.00 0.00 H new ATOM 0 HE1 MET B 79 3.695 0.192 9.477 1.00 0.00 H new ATOM 0 HE2 MET B 79 2.543 1.012 8.397 1.00 0.00 H new ATOM 0 HE3 MET B 79 3.847 0.013 7.713 1.00 0.00 H new ATOM 2737 N VAL B 80 5.756 5.346 4.075 1.00 0.00 N ATOM 2738 CA VAL B 80 6.704 6.270 3.403 1.00 0.00 C ATOM 2739 C VAL B 80 6.006 7.008 2.257 1.00 0.00 C ATOM 2740 O VAL B 80 6.111 8.212 2.128 1.00 0.00 O ATOM 2741 CB VAL B 80 7.874 5.457 2.857 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.577 4.743 4.015 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.354 4.420 1.860 1.00 0.00 C ATOM 0 H VAL B 80 5.948 4.354 3.934 1.00 0.00 H new ATOM 0 HA VAL B 80 7.063 7.008 4.120 1.00 0.00 H new ATOM 0 HB VAL B 80 8.578 6.121 2.355 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.414 4.161 3.629 1.00 0.00 H new ATOM 0 HG12 VAL B 80 8.946 5.481 4.727 1.00 0.00 H new ATOM 0 HG13 VAL B 80 7.872 4.078 4.514 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.190 3.839 1.470 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.652 3.754 2.361 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.849 4.927 1.038 1.00 0.00 H new ATOM 2753 N THR B 81 5.299 6.301 1.420 1.00 0.00 N ATOM 2754 CA THR B 81 4.602 6.971 0.283 1.00 0.00 C ATOM 2755 C THR B 81 3.470 7.853 0.814 1.00 0.00 C ATOM 2756 O THR B 81 2.839 8.578 0.070 1.00 0.00 O ATOM 2757 CB THR B 81 4.025 5.912 -0.660 1.00 0.00 C ATOM 2758 OG1 THR B 81 5.043 4.983 -1.007 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.498 6.587 -1.927 1.00 0.00 C ATOM 0 H THR B 81 5.173 5.290 1.472 1.00 0.00 H new ATOM 0 HA THR B 81 5.316 7.591 -0.259 1.00 0.00 H new ATOM 0 HB THR B 81 3.209 5.389 -0.162 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.088 4.278 -0.328 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.087 5.832 -2.598 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.717 7.300 -1.662 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.313 7.111 -2.426 1.00 0.00 H new ATOM 2767 N THR B 82 3.204 7.801 2.091 1.00 0.00 N ATOM 2768 CA THR B 82 2.110 8.640 2.656 1.00 0.00 C ATOM 2769 C THR B 82 2.684 9.598 3.702 1.00 0.00 C ATOM 2770 O THR B 82 2.010 10.490 4.178 1.00 0.00 O ATOM 2771 CB THR B 82 1.064 7.736 3.313 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.669 7.004 4.370 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.503 6.764 2.276 1.00 0.00 C ATOM 0 H THR B 82 3.696 7.215 2.766 1.00 0.00 H new ATOM 0 HA THR B 82 1.645 9.216 1.856 1.00 0.00 H new ATOM 0 HB THR B 82 0.254 8.348 3.710 1.00 0.00 H new ATOM 0 HG1 THR B 82 2.334 6.386 4.001 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.242 6.121 2.745 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.039 7.325 1.465 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.311 6.151 1.877 1.00 0.00 H new ATOM 2781 N ALA B 83 3.925 9.421 4.067 1.00 0.00 N ATOM 2782 CA ALA B 83 4.539 10.321 5.084 1.00 0.00 C ATOM 2783 C ALA B 83 4.753 11.710 4.480 1.00 0.00 C ATOM 2784 O ALA B 83 4.237 12.695 4.966 1.00 0.00 O ATOM 2785 CB ALA B 83 5.887 9.749 5.526 1.00 0.00 C ATOM 0 H ALA B 83 4.540 8.692 3.705 1.00 0.00 H new ATOM 0 HA ALA B 83 3.874 10.397 5.944 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.335 10.408 6.270 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.738 8.760 5.960 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.549 9.671 4.664 1.00 0.00 H new