USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot -143:sc= 0.908 USER MOD Set 1.2: A 82 HIS : no HD1:sc= -2.37 K(o=-1.5,f=-15!) USER MOD Set 2.1: A 29 ASN : amide:sc= -2.15! C(o=-1.5!,f=-3.3!) USER MOD Set 2.2: A 30 THR OG1 : rot 17:sc= 0.689 USER MOD Set 3.1: A 22 GLN : amide:sc= 0.144 X(o=0.25,f=0.65) USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.106 USER MOD Single : A 1 ALA N :NH3+ 147:sc= 0.00747 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= -0.0115 (180deg=-0.172) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -6.55! C(o=-6.6!,f=-13!) USER MOD Single : A 14 THR OG1 : rot 82:sc= 1.69 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 110:sc= -1.61! USER MOD Single : A 24 HIS : no HE2:sc= -1.25! C(o=-1.2!,f=-8.1!) USER MOD Single : A 27 SER OG : rot 153:sc= 0.0661 USER MOD Single : A 31 ASN : amide:sc= -0.0278 K(o=-0.028,f=-1.8) USER MOD Single : A 35 GLN : amide:sc= -0.574! C(o=-0.57!,f=-5.2!) USER MOD Single : A 38 ASN : amide:sc= 0.406 K(o=0.41,f=-8!) USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= -0.0494 (180deg=-0.33) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.14 (180deg=0.861) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0464 (180deg=-0.303) USER MOD Single : A 52 THR OG1 : rot -1:sc= 1.05 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.31 K(o=1.3,f=-4.7!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.097) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 160:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -65:sc= -1.82! USER MOD Single : A 95 MET CE :methyl -161:sc= -0.0939 (180deg=-0.753) USER MOD Single : A 99 TYR OH : rot -9:sc= 1.27 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0298 (180deg=-0.264) USER MOD Single : A 102 MET CE :methyl -116:sc= 0 (180deg=-1.23) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 111 ASN : amide:sc=-0.00814 X(o=-0.0081,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.17) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.404 7.926 -0.104 1.00 6.29 N ATOM 2 CA ALA A 1 19.425 7.204 0.686 1.00 5.64 C ATOM 3 C ALA A 1 20.064 6.107 -0.150 1.00 5.66 C ATOM 4 O ALA A 1 19.377 5.390 -0.875 1.00 5.80 O ATOM 5 CB ALA A 1 18.810 6.617 1.947 1.00 5.37 C ATOM 0 H1 ALA A 1 17.634 8.235 0.523 1.00 6.29 H new ATOM 0 H2 ALA A 1 18.838 8.757 -0.555 1.00 6.29 H new ATOM 0 H3 ALA A 1 18.021 7.295 -0.836 1.00 6.29 H new ATOM 0 HA ALA A 1 20.198 7.914 0.978 1.00 5.64 H new ATOM 0 HB1 ALA A 1 19.577 6.090 2.514 1.00 5.37 H new ATOM 0 HB2 ALA A 1 18.395 7.419 2.557 1.00 5.37 H new ATOM 0 HB3 ALA A 1 18.017 5.920 1.675 1.00 5.37 H new ATOM 13 N MET A 2 21.379 5.990 -0.061 1.00 5.85 N ATOM 14 CA MET A 2 22.097 4.946 -0.772 1.00 6.17 C ATOM 15 C MET A 2 22.111 3.668 0.054 1.00 5.91 C ATOM 16 O MET A 2 22.756 3.599 1.106 1.00 6.19 O ATOM 17 CB MET A 2 23.523 5.390 -1.093 1.00 6.73 C ATOM 18 CG MET A 2 24.367 4.300 -1.732 1.00 7.38 C ATOM 19 SD MET A 2 23.637 3.649 -3.246 1.00 8.14 S ATOM 20 CE MET A 2 24.794 2.336 -3.627 1.00 8.79 C ATOM 0 H MET A 2 21.971 6.606 0.497 1.00 5.85 H new ATOM 0 HA MET A 2 21.583 4.752 -1.714 1.00 6.17 H new ATOM 0 HB2 MET A 2 23.486 6.249 -1.763 1.00 6.73 H new ATOM 0 HB3 MET A 2 24.007 5.722 -0.175 1.00 6.73 H new ATOM 0 HG2 MET A 2 25.358 4.697 -1.953 1.00 7.38 H new ATOM 0 HG3 MET A 2 24.501 3.486 -1.020 1.00 7.38 H new ATOM 0 HE1 MET A 2 24.483 1.831 -4.542 1.00 8.79 H new ATOM 0 HE2 MET A 2 25.790 2.757 -3.766 1.00 8.79 H new ATOM 0 HE3 MET A 2 24.814 1.619 -2.806 1.00 8.79 H new ATOM 30 N GLY A 3 21.396 2.667 -0.426 1.00 5.74 N ATOM 31 CA GLY A 3 21.253 1.432 0.307 1.00 5.81 C ATOM 32 C GLY A 3 19.832 1.239 0.770 1.00 5.28 C ATOM 33 O GLY A 3 18.995 2.128 0.599 1.00 5.54 O ATOM 0 H GLY A 3 20.907 2.689 -1.321 1.00 5.74 H new ATOM 0 HA2 GLY A 3 21.550 0.594 -0.324 1.00 5.81 H new ATOM 0 HA3 GLY A 3 21.922 1.436 1.168 1.00 5.81 H new ATOM 37 N CYS A 4 19.543 0.093 1.352 1.00 4.84 N ATOM 38 CA CYS A 4 18.205 -0.174 1.827 1.00 4.49 C ATOM 39 C CYS A 4 18.161 -0.276 3.341 1.00 4.00 C ATOM 40 O CYS A 4 19.193 -0.360 4.006 1.00 4.30 O ATOM 41 CB CYS A 4 17.617 -1.409 1.151 1.00 4.71 C ATOM 42 SG CYS A 4 17.177 -1.108 -0.595 1.00 5.14 S ATOM 0 H CYS A 4 20.212 -0.662 1.506 1.00 4.84 H new ATOM 0 HA CYS A 4 17.578 0.674 1.551 1.00 4.49 H new ATOM 0 HB2 CYS A 4 18.336 -2.226 1.205 1.00 4.71 H new ATOM 0 HB3 CYS A 4 16.729 -1.729 1.696 1.00 4.71 H new ATOM 47 N LYS A 5 16.951 -0.272 3.869 1.00 3.56 N ATOM 48 CA LYS A 5 16.718 0.002 5.264 1.00 3.21 C ATOM 49 C LYS A 5 15.463 -0.713 5.719 1.00 2.60 C ATOM 50 O LYS A 5 14.804 -1.365 4.910 1.00 2.48 O ATOM 51 CB LYS A 5 16.560 1.482 5.447 1.00 3.31 C ATOM 52 CG LYS A 5 17.038 2.006 6.798 1.00 3.91 C ATOM 53 CD LYS A 5 18.514 2.396 6.785 1.00 4.47 C ATOM 54 CE LYS A 5 19.444 1.194 6.683 1.00 5.34 C ATOM 55 NZ LYS A 5 19.335 0.293 7.863 1.00 5.99 N ATOM 0 H LYS A 5 16.102 -0.460 3.335 1.00 3.56 H new ATOM 0 HA LYS A 5 17.560 -0.352 5.859 1.00 3.21 H new ATOM 0 HB2 LYS A 5 17.110 1.994 4.657 1.00 3.31 H new ATOM 0 HB3 LYS A 5 15.509 1.741 5.322 1.00 3.31 H new ATOM 0 HG2 LYS A 5 16.439 2.872 7.081 1.00 3.91 H new ATOM 0 HG3 LYS A 5 16.874 1.243 7.559 1.00 3.91 H new ATOM 0 HD2 LYS A 5 18.700 3.065 5.945 1.00 4.47 H new ATOM 0 HD3 LYS A 5 18.746 2.952 7.693 1.00 4.47 H new ATOM 0 HE2 LYS A 5 19.211 0.633 5.778 1.00 5.34 H new ATOM 0 HE3 LYS A 5 20.473 1.541 6.587 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 20.287 0.050 8.203 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 18.809 0.775 8.620 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 18.832 -0.576 7.591 1.00 5.99 H new ATOM 69 N GLU A 6 15.148 -0.629 7.003 1.00 2.54 N ATOM 70 CA GLU A 6 13.895 -1.106 7.494 1.00 2.10 C ATOM 71 C GLU A 6 12.757 -0.302 6.879 1.00 1.84 C ATOM 72 O GLU A 6 12.503 0.844 7.256 1.00 2.27 O ATOM 73 CB GLU A 6 13.883 -1.009 9.005 1.00 2.49 C ATOM 74 CG GLU A 6 12.544 -1.328 9.594 1.00 2.96 C ATOM 75 CD GLU A 6 12.485 -1.058 11.080 1.00 3.57 C ATOM 76 OE1 GLU A 6 12.485 -2.033 11.859 1.00 4.01 O ATOM 77 OE2 GLU A 6 12.436 0.121 11.479 1.00 3.94 O ATOM 0 H GLU A 6 15.758 -0.229 7.716 1.00 2.54 H new ATOM 0 HA GLU A 6 13.757 -2.150 7.212 1.00 2.10 H new ATOM 0 HB2 GLU A 6 14.627 -1.692 9.415 1.00 2.49 H new ATOM 0 HB3 GLU A 6 14.176 -0.002 9.303 1.00 2.49 H new ATOM 0 HG2 GLU A 6 11.779 -0.737 9.090 1.00 2.96 H new ATOM 0 HG3 GLU A 6 12.310 -2.376 9.409 1.00 2.96 H new ATOM 84 N ILE A 7 12.101 -0.915 5.915 1.00 1.34 N ATOM 85 CA ILE A 7 11.054 -0.267 5.150 1.00 1.10 C ATOM 86 C ILE A 7 9.693 -0.687 5.691 1.00 0.99 C ATOM 87 O ILE A 7 9.559 -1.750 6.300 1.00 1.30 O ATOM 88 CB ILE A 7 11.207 -0.613 3.645 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.550 -0.152 3.147 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.156 0.047 2.792 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.680 1.325 3.179 1.00 2.00 C ATOM 0 H ILE A 7 12.279 -1.880 5.639 1.00 1.34 H new ATOM 0 HA ILE A 7 11.137 0.815 5.250 1.00 1.10 H new ATOM 0 HB ILE A 7 11.100 -1.695 3.564 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.335 -0.598 3.758 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.699 -0.507 2.127 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.309 -0.228 1.748 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.168 -0.282 3.113 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.230 1.129 2.896 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.665 1.612 2.811 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.912 1.772 2.547 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.558 1.679 4.203 1.00 2.00 H new ATOM 103 N GLU A 8 8.694 0.160 5.501 1.00 0.87 N ATOM 104 CA GLU A 8 7.388 -0.071 6.088 1.00 0.93 C ATOM 105 C GLU A 8 6.346 -0.132 4.985 1.00 0.86 C ATOM 106 O GLU A 8 6.710 -0.297 3.833 1.00 1.29 O ATOM 107 CB GLU A 8 7.058 1.039 7.085 1.00 1.41 C ATOM 108 CG GLU A 8 8.185 1.354 8.051 1.00 1.71 C ATOM 109 CD GLU A 8 7.889 2.555 8.921 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.523 2.366 10.102 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.003 3.698 8.425 1.00 2.71 O ATOM 0 H GLU A 8 8.764 1.012 4.945 1.00 0.87 H new ATOM 0 HA GLU A 8 7.390 -1.020 6.625 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.801 1.944 6.534 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.174 0.751 7.655 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.367 0.487 8.686 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.101 1.535 7.488 1.00 1.71 H new ATOM 118 N ILE A 9 5.070 -0.013 5.344 1.00 0.65 N ATOM 119 CA ILE A 9 3.948 -0.040 4.390 1.00 0.68 C ATOM 120 C ILE A 9 2.913 1.020 4.808 1.00 0.53 C ATOM 121 O ILE A 9 2.642 1.127 6.002 1.00 0.68 O ATOM 122 CB ILE A 9 3.204 -1.408 4.473 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.078 -2.634 4.285 1.00 0.93 C ATOM 124 CG2 ILE A 9 2.058 -1.475 3.519 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.095 -2.468 3.239 1.00 1.21 C ATOM 0 H ILE A 9 4.776 0.106 6.313 1.00 0.65 H new ATOM 0 HA ILE A 9 4.346 0.135 3.391 1.00 0.68 H new ATOM 0 HB ILE A 9 2.844 -1.439 5.502 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.572 -2.868 5.228 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.447 -3.487 4.036 1.00 0.93 H new ATOM 0 HG21 ILE A 9 1.566 -2.444 3.608 1.00 1.34 H new ATOM 0 HG22 ILE A 9 1.345 -0.684 3.751 1.00 1.34 H new ATOM 0 HG23 ILE A 9 2.424 -1.347 2.501 1.00 1.34 H new ATOM 0 HD11 ILE A 9 5.685 -3.381 3.157 1.00 1.21 H new ATOM 0 HD12 ILE A 9 4.607 -2.264 2.286 1.00 1.21 H new ATOM 0 HD13 ILE A 9 5.749 -1.635 3.497 1.00 1.21 H new ATOM 137 N VAL A 10 2.313 1.803 3.883 1.00 0.51 N ATOM 138 CA VAL A 10 1.123 2.567 4.274 1.00 0.46 C ATOM 139 C VAL A 10 -0.095 2.178 3.454 1.00 0.41 C ATOM 140 O VAL A 10 -0.161 2.390 2.242 1.00 0.44 O ATOM 141 CB VAL A 10 1.308 4.104 4.228 1.00 0.61 C ATOM 142 CG1 VAL A 10 2.362 4.480 3.222 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.008 4.818 3.888 1.00 0.77 C ATOM 0 H VAL A 10 2.616 1.916 2.916 1.00 0.51 H new ATOM 0 HA VAL A 10 0.962 2.298 5.318 1.00 0.46 H new ATOM 0 HB VAL A 10 1.626 4.424 5.220 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.478 5.564 3.204 1.00 0.92 H new ATOM 0 HG12 VAL A 10 3.310 4.018 3.498 1.00 0.92 H new ATOM 0 HG13 VAL A 10 2.063 4.131 2.234 1.00 0.92 H new ATOM 0 HG21 VAL A 10 0.158 5.895 3.864 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.362 4.484 2.913 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -0.756 4.583 4.645 1.00 0.77 H new ATOM 153 N ILE A 11 -1.044 1.584 4.140 1.00 0.40 N ATOM 154 CA ILE A 11 -2.353 1.354 3.607 1.00 0.40 C ATOM 155 C ILE A 11 -3.341 2.213 4.375 1.00 0.44 C ATOM 156 O ILE A 11 -3.362 2.177 5.601 1.00 0.50 O ATOM 157 CB ILE A 11 -2.725 -0.137 3.738 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.880 -0.984 2.801 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.202 -0.364 3.509 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.767 -0.391 1.430 1.00 0.59 C ATOM 0 H ILE A 11 -0.920 1.246 5.094 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.377 1.618 2.550 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.510 -0.448 4.760 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.883 -1.102 3.225 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.315 -1.981 2.727 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.427 -1.426 3.609 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.775 0.199 4.245 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.470 -0.029 2.507 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.153 -1.038 0.803 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.760 -0.298 0.991 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.306 0.594 1.497 1.00 0.59 H new ATOM 172 N LYS A 12 -4.097 3.037 3.673 1.00 0.46 N ATOM 173 CA LYS A 12 -5.157 3.800 4.305 1.00 0.52 C ATOM 174 C LYS A 12 -6.489 3.496 3.643 1.00 0.50 C ATOM 175 O LYS A 12 -6.534 3.048 2.497 1.00 0.62 O ATOM 176 CB LYS A 12 -4.889 5.300 4.215 1.00 0.55 C ATOM 177 CG LYS A 12 -5.090 6.004 5.536 1.00 0.72 C ATOM 178 CD LYS A 12 -4.952 7.514 5.413 1.00 1.32 C ATOM 179 CE LYS A 12 -5.174 8.198 6.752 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.088 9.678 6.646 1.00 2.08 N ATOM 0 H LYS A 12 -3.998 3.195 2.670 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.189 3.510 5.355 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.867 5.463 3.872 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.550 5.740 3.468 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.078 5.762 5.927 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.362 5.633 6.257 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.960 7.761 5.036 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.672 7.889 4.686 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -6.153 7.919 7.143 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -4.432 7.843 7.467 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -5.246 10.103 7.582 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.146 9.947 6.298 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.813 10.021 5.984 1.00 2.08 H new ATOM 194 N ASN A 13 -7.565 3.729 4.366 1.00 0.55 N ATOM 195 CA ASN A 13 -8.898 3.712 3.791 1.00 0.59 C ATOM 196 C ASN A 13 -9.672 4.866 4.376 1.00 0.58 C ATOM 197 O ASN A 13 -9.609 5.105 5.579 1.00 0.95 O ATOM 198 CB ASN A 13 -9.627 2.400 4.086 1.00 1.01 C ATOM 199 CG ASN A 13 -10.929 2.257 3.304 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.537 3.236 2.883 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.377 1.029 3.120 1.00 2.71 N ATOM 0 H ASN A 13 -7.543 3.935 5.365 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.818 3.801 2.708 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.971 1.563 3.846 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.841 2.341 5.153 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.250 0.875 2.616 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.850 0.234 3.482 1.00 2.71 H new ATOM 208 N THR A 14 -10.366 5.607 3.535 1.00 0.47 N ATOM 209 CA THR A 14 -11.131 6.733 4.016 1.00 0.74 C ATOM 210 C THR A 14 -12.063 7.321 2.958 1.00 0.54 C ATOM 211 O THR A 14 -11.780 8.357 2.350 1.00 0.70 O ATOM 212 CB THR A 14 -10.203 7.818 4.577 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.937 8.994 4.942 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.182 8.149 3.545 1.00 1.78 C ATOM 0 H THR A 14 -10.414 5.450 2.528 1.00 0.47 H new ATOM 0 HA THR A 14 -11.767 6.354 4.816 1.00 0.74 H new ATOM 0 HB THR A 14 -9.719 7.442 5.479 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.335 8.869 5.829 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.514 8.920 3.929 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.605 7.256 3.304 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.679 8.514 2.646 1.00 1.78 H new ATOM 222 N LEU A 15 -13.166 6.643 2.692 1.00 0.49 N ATOM 223 CA LEU A 15 -14.268 7.297 2.036 1.00 0.68 C ATOM 224 C LEU A 15 -15.026 8.034 3.117 1.00 0.84 C ATOM 225 O LEU A 15 -15.605 9.102 2.919 1.00 1.18 O ATOM 226 CB LEU A 15 -15.228 6.332 1.326 1.00 0.88 C ATOM 227 CG LEU A 15 -14.646 5.505 0.188 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.354 4.907 0.591 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.632 4.450 -0.279 1.00 1.39 C ATOM 0 H LEU A 15 -13.315 5.659 2.918 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.872 7.950 1.259 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.635 5.648 2.070 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.064 6.911 0.933 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.457 6.166 -0.658 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.952 4.319 -0.234 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.651 5.699 0.849 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.506 4.261 1.456 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.191 3.874 -1.092 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.871 3.783 0.550 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.543 4.934 -0.630 1.00 1.39 H new ATOM 241 N GLY A 16 -14.970 7.401 4.274 1.00 0.72 N ATOM 242 CA GLY A 16 -15.598 7.863 5.478 1.00 0.87 C ATOM 243 C GLY A 16 -15.800 6.685 6.401 1.00 0.77 C ATOM 244 O GLY A 16 -15.222 5.629 6.150 1.00 1.27 O ATOM 0 H GLY A 16 -14.467 6.522 4.396 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -14.979 8.620 5.961 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.555 8.332 5.249 1.00 0.87 H new ATOM 248 N PRO A 17 -16.610 6.808 7.459 1.00 0.67 N ATOM 249 CA PRO A 17 -16.791 5.734 8.442 1.00 0.76 C ATOM 250 C PRO A 17 -17.211 4.402 7.811 1.00 0.88 C ATOM 251 O PRO A 17 -17.980 4.376 6.846 1.00 1.27 O ATOM 252 CB PRO A 17 -17.900 6.259 9.363 1.00 1.02 C ATOM 253 CG PRO A 17 -18.506 7.419 8.643 1.00 1.42 C ATOM 254 CD PRO A 17 -17.417 7.991 7.785 1.00 1.13 C ATOM 0 HA PRO A 17 -15.856 5.514 8.957 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -18.644 5.487 9.559 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -17.496 6.565 10.328 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.354 7.101 8.036 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -18.879 8.163 9.347 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -17.815 8.469 6.890 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -16.836 8.744 8.317 1.00 1.13 H new ATOM 262 N SER A 18 -16.676 3.308 8.362 1.00 1.06 N ATOM 263 CA SER A 18 -17.041 1.946 7.963 1.00 1.31 C ATOM 264 C SER A 18 -16.529 1.572 6.567 1.00 1.10 C ATOM 265 O SER A 18 -17.117 0.730 5.887 1.00 1.50 O ATOM 266 CB SER A 18 -18.560 1.756 8.050 1.00 1.75 C ATOM 267 OG SER A 18 -19.020 1.997 9.372 1.00 2.18 O ATOM 0 H SER A 18 -15.974 3.343 9.101 1.00 1.06 H new ATOM 0 HA SER A 18 -16.550 1.270 8.663 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.057 2.435 7.357 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.823 0.743 7.747 1.00 1.75 H new ATOM 0 HG SER A 18 -19.991 1.873 9.408 1.00 2.18 H new ATOM 273 N ARG A 19 -15.436 2.194 6.139 1.00 0.81 N ATOM 274 CA ARG A 19 -14.763 1.785 4.906 1.00 0.66 C ATOM 275 C ARG A 19 -13.648 0.805 5.248 1.00 0.64 C ATOM 276 O ARG A 19 -12.738 1.145 5.998 1.00 1.02 O ATOM 277 CB ARG A 19 -14.183 2.992 4.151 1.00 0.68 C ATOM 278 CG ARG A 19 -15.132 3.690 3.201 1.00 1.15 C ATOM 279 CD ARG A 19 -16.479 4.008 3.831 1.00 1.94 C ATOM 280 NE ARG A 19 -17.436 2.915 3.667 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.758 3.074 3.656 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.288 4.283 3.791 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.551 2.024 3.505 1.00 3.99 N ATOM 0 H ARG A 19 -14.997 2.978 6.622 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.496 1.309 4.255 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -13.830 3.719 4.882 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.312 2.660 3.586 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.673 4.615 2.853 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.287 3.061 2.324 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.342 4.213 4.893 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -16.884 4.914 3.381 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.068 1.971 3.554 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.682 5.096 3.904 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.301 4.400 3.782 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.149 1.093 3.397 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.564 2.147 3.497 1.00 3.99 H new ATOM 297 N ILE A 20 -13.721 -0.410 4.710 1.00 0.52 N ATOM 298 CA ILE A 20 -12.762 -1.452 5.067 1.00 0.51 C ATOM 299 C ILE A 20 -12.211 -2.159 3.831 1.00 0.54 C ATOM 300 O ILE A 20 -12.970 -2.554 2.946 1.00 0.76 O ATOM 301 CB ILE A 20 -13.399 -2.529 5.977 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.289 -1.906 7.035 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.321 -3.347 6.649 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.567 -1.586 8.307 1.00 0.83 C ATOM 0 H ILE A 20 -14.427 -0.696 4.032 1.00 0.52 H new ATOM 0 HA ILE A 20 -11.956 -0.944 5.597 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.012 -3.173 5.346 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.730 -0.992 6.636 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.111 -2.587 7.254 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.781 -4.102 7.287 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.710 -3.837 5.891 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.693 -2.694 7.255 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.263 -1.143 9.019 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.149 -2.500 8.728 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -12.762 -0.881 8.101 1.00 0.83 H new ATOM 316 N LEU A 21 -10.892 -2.305 3.764 1.00 0.50 N ATOM 317 CA LEU A 21 -10.282 -3.211 2.793 1.00 0.55 C ATOM 318 C LEU A 21 -9.855 -4.461 3.520 1.00 0.52 C ATOM 319 O LEU A 21 -9.429 -4.388 4.671 1.00 0.75 O ATOM 320 CB LEU A 21 -9.010 -2.646 2.115 1.00 0.72 C ATOM 321 CG LEU A 21 -9.135 -1.336 1.340 1.00 1.39 C ATOM 322 CD1 LEU A 21 -10.547 -1.112 0.824 1.00 2.23 C ATOM 323 CD2 LEU A 21 -8.655 -0.189 2.203 1.00 2.20 C ATOM 0 H LEU A 21 -10.229 -1.814 4.363 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.032 -3.381 2.020 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -8.253 -2.507 2.887 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -8.631 -3.405 1.430 1.00 0.72 H new ATOM 0 HG LEU A 21 -8.500 -1.393 0.456 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -10.590 -0.169 0.279 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.825 -1.929 0.158 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -11.240 -1.077 1.664 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -8.745 0.745 1.649 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -9.262 -0.135 3.107 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -7.612 -0.351 2.476 1.00 2.20 H new ATOM 335 N GLN A 22 -9.964 -5.598 2.872 1.00 0.47 N ATOM 336 CA GLN A 22 -9.211 -6.735 3.294 1.00 0.47 C ATOM 337 C GLN A 22 -7.954 -6.726 2.451 1.00 0.42 C ATOM 338 O GLN A 22 -7.963 -7.171 1.303 1.00 0.51 O ATOM 339 CB GLN A 22 -9.998 -8.025 3.083 1.00 0.60 C ATOM 340 CG GLN A 22 -9.199 -9.247 3.463 1.00 0.71 C ATOM 341 CD GLN A 22 -9.775 -10.530 2.901 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.432 -10.946 1.794 1.00 1.69 O ATOM 343 NE2 GLN A 22 -10.661 -11.162 3.653 1.00 1.34 N ATOM 0 H GLN A 22 -10.563 -5.750 2.060 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.982 -6.689 4.359 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.912 -7.992 3.675 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.298 -8.099 2.038 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -8.175 -9.129 3.109 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -9.154 -9.321 4.550 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.918 -10.784 4.565 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -11.087 -12.027 3.321 1.00 1.34 H new ATOM 352 N TYR A 23 -6.883 -6.190 3.003 1.00 0.42 N ATOM 353 CA TYR A 23 -5.716 -5.905 2.204 1.00 0.42 C ATOM 354 C TYR A 23 -4.663 -6.974 2.409 1.00 0.41 C ATOM 355 O TYR A 23 -4.194 -7.224 3.522 1.00 0.49 O ATOM 356 CB TYR A 23 -5.174 -4.491 2.472 1.00 0.52 C ATOM 357 CG TYR A 23 -4.304 -4.352 3.690 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.875 -4.198 4.939 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.927 -4.372 3.592 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.094 -4.064 6.068 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.131 -4.241 4.712 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.680 -4.103 5.924 1.00 0.63 C ATOM 363 OH TYR A 23 -1.934 -3.948 7.071 1.00 0.74 O ATOM 0 H TYR A 23 -6.800 -5.947 3.990 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.007 -5.925 1.154 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.604 -4.168 1.601 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -6.019 -3.809 2.571 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.951 -4.182 5.033 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.465 -4.492 2.623 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.546 -3.932 7.040 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.056 -4.250 4.609 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.503 -4.798 7.298 1.00 0.74 H new ATOM 373 N HIS A 24 -4.340 -7.643 1.327 1.00 0.50 N ATOM 374 CA HIS A 24 -3.306 -8.642 1.346 1.00 0.57 C ATOM 375 C HIS A 24 -2.020 -8.049 0.834 1.00 0.60 C ATOM 376 O HIS A 24 -1.811 -7.953 -0.370 1.00 0.58 O ATOM 377 CB HIS A 24 -3.689 -9.834 0.480 1.00 0.61 C ATOM 378 CG HIS A 24 -2.678 -10.938 0.528 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.661 -10.982 1.460 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.515 -12.028 -0.256 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.916 -12.049 1.243 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.415 -12.699 0.210 1.00 0.94 N ATOM 0 H HIS A 24 -4.784 -7.510 0.418 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.176 -8.982 2.373 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.655 -10.219 0.807 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.810 -9.503 -0.552 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.509 -10.297 2.200 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.135 -12.315 -1.092 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.047 -12.340 1.814 1.00 0.88 H new ATOM 391 N CYS A 25 -1.157 -7.655 1.733 1.00 0.71 N ATOM 392 CA CYS A 25 0.118 -7.152 1.317 1.00 0.74 C ATOM 393 C CYS A 25 1.184 -8.216 1.466 1.00 0.91 C ATOM 394 O CYS A 25 1.025 -9.171 2.226 1.00 1.01 O ATOM 395 CB CYS A 25 0.475 -5.872 2.060 1.00 0.79 C ATOM 396 SG CYS A 25 1.246 -4.630 0.982 1.00 1.12 S ATOM 0 H CYS A 25 -1.312 -7.673 2.741 1.00 0.71 H new ATOM 0 HA CYS A 25 0.059 -6.895 0.259 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.427 -5.451 2.506 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.154 -6.109 2.879 1.00 0.79 H new ATOM 401 N ARG A 26 2.251 -8.063 0.704 1.00 1.14 N ATOM 402 CA ARG A 26 3.243 -9.111 0.558 1.00 1.38 C ATOM 403 C ARG A 26 4.614 -8.501 0.424 1.00 1.87 C ATOM 404 O ARG A 26 4.842 -7.694 -0.473 1.00 2.24 O ATOM 405 CB ARG A 26 2.949 -9.937 -0.698 1.00 1.45 C ATOM 406 CG ARG A 26 1.602 -10.634 -0.686 1.00 2.13 C ATOM 407 CD ARG A 26 1.189 -11.054 -2.085 1.00 2.66 C ATOM 408 NE ARG A 26 0.960 -9.899 -2.957 1.00 3.26 N ATOM 409 CZ ARG A 26 0.661 -9.991 -4.255 1.00 4.00 C ATOM 410 NH1 ARG A 26 0.576 -11.180 -4.840 1.00 4.21 N ATOM 411 NH2 ARG A 26 0.446 -8.891 -4.967 1.00 4.86 N ATOM 0 H ARG A 26 2.453 -7.216 0.173 1.00 1.14 H new ATOM 0 HA ARG A 26 3.206 -9.752 1.439 1.00 1.38 H new ATOM 0 HB2 ARG A 26 2.999 -9.283 -1.569 1.00 1.45 H new ATOM 0 HB3 ARG A 26 3.732 -10.686 -0.817 1.00 1.45 H new ATOM 0 HG2 ARG A 26 1.649 -11.510 -0.039 1.00 2.13 H new ATOM 0 HG3 ARG A 26 0.848 -9.968 -0.266 1.00 2.13 H new ATOM 0 HD2 ARG A 26 1.964 -11.687 -2.517 1.00 2.66 H new ATOM 0 HD3 ARG A 26 0.280 -11.654 -2.031 1.00 2.66 H new ATOM 0 HE ARG A 26 1.033 -8.968 -2.547 1.00 3.26 H new ATOM 0 HH11 ARG A 26 0.739 -12.028 -4.297 1.00 4.21 H new ATOM 0 HH12 ARG A 26 0.347 -11.245 -5.832 1.00 4.21 H new ATOM 0 HH21 ARG A 26 0.509 -7.975 -4.522 1.00 4.86 H new ATOM 0 HH22 ARG A 26 0.218 -8.962 -5.959 1.00 4.86 H new ATOM 425 N SER A 27 5.520 -8.871 1.311 1.00 2.10 N ATOM 426 CA SER A 27 6.893 -8.446 1.186 1.00 2.66 C ATOM 427 C SER A 27 7.439 -8.961 -0.123 1.00 2.39 C ATOM 428 O SER A 27 7.082 -10.052 -0.579 1.00 2.70 O ATOM 429 CB SER A 27 7.739 -8.964 2.350 1.00 3.73 C ATOM 430 OG SER A 27 9.095 -8.566 2.225 1.00 4.43 O ATOM 0 H SER A 27 5.327 -9.462 2.120 1.00 2.10 H new ATOM 0 HA SER A 27 6.934 -7.357 1.208 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.334 -8.590 3.290 1.00 3.73 H new ATOM 0 HB3 SER A 27 7.680 -10.052 2.388 1.00 3.73 H new ATOM 0 HG SER A 27 9.503 -8.511 3.114 1.00 4.43 H new ATOM 436 N GLY A 28 8.299 -8.162 -0.716 1.00 2.45 N ATOM 437 CA GLY A 28 8.816 -8.444 -2.030 1.00 2.54 C ATOM 438 C GLY A 28 9.517 -9.788 -2.117 1.00 2.68 C ATOM 439 O GLY A 28 9.737 -10.307 -3.209 1.00 3.22 O ATOM 0 H GLY A 28 8.656 -7.302 -0.300 1.00 2.45 H new ATOM 0 HA2 GLY A 28 7.997 -8.421 -2.749 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.514 -7.657 -2.316 1.00 2.54 H new ATOM 443 N ASN A 29 9.863 -10.348 -0.962 1.00 2.60 N ATOM 444 CA ASN A 29 10.471 -11.667 -0.890 1.00 2.96 C ATOM 445 C ASN A 29 9.883 -12.489 0.258 1.00 2.76 C ATOM 446 O ASN A 29 10.479 -13.472 0.696 1.00 3.04 O ATOM 447 CB ASN A 29 11.983 -11.544 -0.709 1.00 3.49 C ATOM 448 CG ASN A 29 12.381 -10.646 0.455 1.00 4.17 C ATOM 449 OD1 ASN A 29 11.661 -10.526 1.452 1.00 4.66 O ATOM 450 ND2 ASN A 29 13.531 -10.004 0.335 1.00 4.63 N ATOM 0 H ASN A 29 9.730 -9.901 -0.055 1.00 2.60 H new ATOM 0 HA ASN A 29 10.257 -12.182 -1.827 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.405 -12.537 -0.553 1.00 3.49 H new ATOM 0 HB3 ASN A 29 12.421 -11.152 -1.627 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.850 -9.385 1.080 1.00 4.63 H new ATOM 0 HD22 ASN A 29 14.099 -10.128 -0.503 1.00 4.63 H new ATOM 457 N THR A 30 8.716 -12.086 0.742 1.00 2.45 N ATOM 458 CA THR A 30 8.104 -12.729 1.906 1.00 2.33 C ATOM 459 C THR A 30 6.592 -12.461 1.983 1.00 2.07 C ATOM 460 O THR A 30 6.160 -11.336 2.192 1.00 2.10 O ATOM 461 CB THR A 30 8.791 -12.257 3.211 1.00 2.45 C ATOM 462 OG1 THR A 30 10.112 -12.808 3.306 1.00 2.93 O ATOM 463 CG2 THR A 30 7.983 -12.639 4.439 1.00 2.70 C ATOM 0 H THR A 30 8.171 -11.318 0.350 1.00 2.45 H new ATOM 0 HA THR A 30 8.246 -13.804 1.792 1.00 2.33 H new ATOM 0 HB THR A 30 8.854 -11.169 3.174 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.393 -13.137 2.427 1.00 2.93 H new ATOM 0 HG21 THR A 30 8.497 -12.291 5.335 1.00 2.70 H new ATOM 0 HG22 THR A 30 6.997 -12.178 4.384 1.00 2.70 H new ATOM 0 HG23 THR A 30 7.875 -13.723 4.481 1.00 2.70 H new ATOM 471 N ASN A 31 5.787 -13.501 1.819 1.00 1.97 N ATOM 472 CA ASN A 31 4.335 -13.355 1.913 1.00 1.75 C ATOM 473 C ASN A 31 3.890 -13.254 3.370 1.00 1.78 C ATOM 474 O ASN A 31 4.024 -14.211 4.138 1.00 2.34 O ATOM 475 CB ASN A 31 3.621 -14.523 1.228 1.00 2.09 C ATOM 476 CG ASN A 31 3.731 -14.466 -0.282 1.00 2.43 C ATOM 477 OD1 ASN A 31 3.808 -13.389 -0.872 1.00 2.89 O ATOM 478 ND2 ASN A 31 3.733 -15.625 -0.920 1.00 2.98 N ATOM 0 H ASN A 31 6.108 -14.449 1.622 1.00 1.97 H new ATOM 0 HA ASN A 31 4.063 -12.432 1.400 1.00 1.75 H new ATOM 0 HB2 ASN A 31 4.044 -15.462 1.585 1.00 2.09 H new ATOM 0 HB3 ASN A 31 2.569 -14.519 1.513 1.00 2.09 H new ATOM 0 HD21 ASN A 31 3.800 -15.647 -1.938 1.00 2.98 H new ATOM 0 HD22 ASN A 31 3.667 -16.497 -0.394 1.00 2.98 H new ATOM 485 N VAL A 32 3.371 -12.088 3.748 1.00 1.39 N ATOM 486 CA VAL A 32 2.930 -11.845 5.111 1.00 1.52 C ATOM 487 C VAL A 32 1.942 -10.683 5.188 1.00 1.38 C ATOM 488 O VAL A 32 2.318 -9.524 5.030 1.00 2.10 O ATOM 489 CB VAL A 32 4.106 -11.605 6.059 1.00 2.13 C ATOM 490 CG1 VAL A 32 5.125 -10.852 5.307 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.681 -10.875 7.329 1.00 2.64 C ATOM 0 H VAL A 32 3.247 -11.294 3.120 1.00 1.39 H new ATOM 0 HA VAL A 32 2.417 -12.751 5.434 1.00 1.52 H new ATOM 0 HB VAL A 32 4.513 -12.557 6.399 1.00 2.13 H new ATOM 0 HG11 VAL A 32 5.984 -10.660 5.950 1.00 2.68 H new ATOM 0 HG12 VAL A 32 5.443 -11.434 4.442 1.00 2.68 H new ATOM 0 HG13 VAL A 32 4.703 -9.904 4.972 1.00 2.68 H new ATOM 0 HG21 VAL A 32 4.549 -10.727 7.971 1.00 2.64 H new ATOM 0 HG22 VAL A 32 3.254 -9.907 7.067 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.935 -11.469 7.858 1.00 2.64 H new ATOM 501 N GLY A 33 0.670 -10.996 5.374 1.00 1.00 N ATOM 502 CA GLY A 33 -0.280 -9.958 5.725 1.00 1.43 C ATOM 503 C GLY A 33 -1.571 -9.990 4.935 1.00 0.99 C ATOM 504 O GLY A 33 -1.607 -9.590 3.772 1.00 1.13 O ATOM 0 H GLY A 33 0.280 -11.935 5.290 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.516 -10.044 6.786 1.00 1.43 H new ATOM 0 HA3 GLY A 33 0.194 -8.987 5.582 1.00 1.43 H new ATOM 508 N VAL A 34 -2.635 -10.469 5.567 1.00 0.80 N ATOM 509 CA VAL A 34 -3.980 -10.331 5.022 1.00 0.56 C ATOM 510 C VAL A 34 -4.895 -9.767 6.110 1.00 0.63 C ATOM 511 O VAL A 34 -5.510 -10.520 6.872 1.00 1.03 O ATOM 512 CB VAL A 34 -4.581 -11.661 4.528 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.879 -11.388 3.780 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.599 -12.408 3.648 1.00 1.06 C ATOM 0 H VAL A 34 -2.592 -10.958 6.461 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.906 -9.667 4.161 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.794 -12.292 5.391 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.303 -12.330 3.431 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.587 -10.896 4.447 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.678 -10.742 2.925 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.049 -13.343 3.313 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.348 -11.796 2.782 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.693 -12.624 4.215 1.00 1.06 H new ATOM 524 N GLN A 35 -4.974 -8.454 6.197 1.00 0.63 N ATOM 525 CA GLN A 35 -5.627 -7.800 7.296 1.00 0.85 C ATOM 526 C GLN A 35 -6.686 -6.819 6.796 1.00 0.70 C ATOM 527 O GLN A 35 -6.639 -6.391 5.649 1.00 0.82 O ATOM 528 CB GLN A 35 -4.546 -7.079 8.087 1.00 1.45 C ATOM 529 CG GLN A 35 -5.080 -6.323 9.261 1.00 2.06 C ATOM 530 CD GLN A 35 -3.997 -5.814 10.192 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.156 -4.776 10.835 1.00 3.16 O ATOM 532 NE2 GLN A 35 -2.890 -6.541 10.276 1.00 3.28 N ATOM 0 H GLN A 35 -4.584 -7.816 5.503 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.145 -8.525 7.924 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.813 -7.807 8.435 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.021 -6.389 7.427 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -5.668 -5.478 8.903 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -5.757 -6.968 9.821 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -2.798 -7.395 9.726 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -2.131 -6.246 10.890 1.00 3.28 H new ATOM 541 N TYR A 36 -7.654 -6.486 7.645 1.00 0.78 N ATOM 542 CA TYR A 36 -8.626 -5.451 7.308 1.00 0.73 C ATOM 543 C TYR A 36 -8.146 -4.102 7.816 1.00 0.78 C ATOM 544 O TYR A 36 -7.304 -4.029 8.711 1.00 1.06 O ATOM 545 CB TYR A 36 -10.010 -5.731 7.909 1.00 0.94 C ATOM 546 CG TYR A 36 -10.755 -6.885 7.284 1.00 1.62 C ATOM 547 CD1 TYR A 36 -10.199 -8.154 7.287 1.00 2.09 C ATOM 548 CD2 TYR A 36 -12.001 -6.714 6.697 1.00 2.13 C ATOM 549 CE1 TYR A 36 -10.861 -9.223 6.726 1.00 3.04 C ATOM 550 CE2 TYR A 36 -12.671 -7.777 6.131 1.00 3.13 C ATOM 551 CZ TYR A 36 -12.153 -8.982 6.123 1.00 3.57 C ATOM 552 OH TYR A 36 -12.766 -10.095 5.588 1.00 4.60 O ATOM 0 H TYR A 36 -7.786 -6.913 8.562 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.717 -5.447 6.222 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -9.894 -5.928 8.975 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.619 -4.832 7.815 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.229 -8.307 7.737 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -12.452 -5.733 6.684 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -10.428 -10.212 6.736 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -13.641 -7.615 5.685 1.00 3.13 H new ATOM 0 HH TYR A 36 -13.631 -9.840 5.205 1.00 4.60 H new ATOM 562 N LEU A 37 -8.684 -3.040 7.246 1.00 0.72 N ATOM 563 CA LEU A 37 -8.395 -1.695 7.714 1.00 0.89 C ATOM 564 C LEU A 37 -9.611 -0.809 7.540 1.00 0.70 C ATOM 565 O LEU A 37 -10.272 -0.854 6.503 1.00 0.61 O ATOM 566 CB LEU A 37 -7.222 -1.087 6.959 1.00 1.23 C ATOM 567 CG LEU A 37 -6.943 0.373 7.309 1.00 1.93 C ATOM 568 CD1 LEU A 37 -6.456 0.504 8.745 1.00 2.72 C ATOM 569 CD2 LEU A 37 -5.948 0.966 6.343 1.00 2.57 C ATOM 0 H LEU A 37 -9.326 -3.082 6.455 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.134 -1.762 8.770 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.328 -1.676 7.164 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.415 -1.162 5.889 1.00 1.23 H new ATOM 0 HG LEU A 37 -7.875 0.931 7.223 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.264 1.553 8.970 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.218 0.121 9.424 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -5.537 -0.068 8.871 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -5.761 2.007 6.607 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -5.015 0.405 6.392 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -6.349 0.915 5.331 1.00 2.57 H new ATOM 581 N ASN A 38 -9.890 0.001 8.548 1.00 0.78 N ATOM 582 CA ASN A 38 -11.046 0.881 8.522 1.00 0.73 C ATOM 583 C ASN A 38 -10.638 2.286 8.105 1.00 0.68 C ATOM 584 O ASN A 38 -9.475 2.557 7.801 1.00 0.75 O ATOM 585 CB ASN A 38 -11.710 0.929 9.911 1.00 0.94 C ATOM 586 CG ASN A 38 -13.200 1.274 9.899 1.00 1.62 C ATOM 587 OD1 ASN A 38 -13.704 1.966 9.015 1.00 2.32 O ATOM 588 ND2 ASN A 38 -13.917 0.785 10.896 1.00 2.29 N ATOM 0 H ASN A 38 -9.329 0.067 9.397 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.758 0.488 7.796 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.580 -0.039 10.394 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -11.186 1.663 10.523 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -14.917 0.978 10.948 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -13.470 0.215 11.614 1.00 2.29 H new ATOM 595 N PHE A 39 -11.618 3.157 8.124 1.00 0.68 N ATOM 596 CA PHE A 39 -11.439 4.590 7.860 1.00 0.72 C ATOM 597 C PHE A 39 -10.533 5.233 8.908 1.00 0.83 C ATOM 598 O PHE A 39 -10.004 6.332 8.717 1.00 1.66 O ATOM 599 CB PHE A 39 -12.809 5.259 7.821 1.00 0.85 C ATOM 600 CG PHE A 39 -12.824 6.717 8.183 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.463 7.694 7.265 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.215 7.105 9.452 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.496 9.032 7.614 1.00 1.80 C ATOM 604 CE2 PHE A 39 -13.247 8.439 9.806 1.00 1.87 C ATOM 605 CZ PHE A 39 -12.887 9.404 8.887 1.00 2.03 C ATOM 0 H PHE A 39 -12.584 2.899 8.325 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.949 4.724 6.896 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.221 5.147 6.818 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.474 4.726 8.501 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.154 7.407 6.271 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.499 6.355 10.175 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.217 9.786 6.893 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -13.553 8.727 10.801 1.00 1.87 H new ATOM 0 HZ PHE A 39 -12.911 10.448 9.162 1.00 2.03 H new ATOM 615 N LYS A 40 -10.376 4.504 9.997 1.00 0.86 N ATOM 616 CA LYS A 40 -9.528 4.875 11.133 1.00 0.97 C ATOM 617 C LYS A 40 -8.287 5.654 10.696 1.00 0.72 C ATOM 618 O LYS A 40 -8.078 6.791 11.123 1.00 1.17 O ATOM 619 CB LYS A 40 -9.111 3.599 11.873 1.00 1.52 C ATOM 620 CG LYS A 40 -8.505 3.814 13.258 1.00 2.18 C ATOM 621 CD LYS A 40 -7.062 4.293 13.194 1.00 2.89 C ATOM 622 CE LYS A 40 -6.435 4.360 14.574 1.00 3.36 C ATOM 623 NZ LYS A 40 -6.340 3.016 15.207 1.00 3.76 N ATOM 0 H LYS A 40 -10.846 3.608 10.127 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.101 5.529 11.790 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -9.985 2.955 11.973 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -8.389 3.062 11.258 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -9.103 4.544 13.804 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -8.550 2.881 13.820 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -6.482 3.620 12.562 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -7.025 5.278 12.729 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -5.439 4.797 14.499 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -7.026 5.020 15.210 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -5.665 3.051 15.997 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -7.275 2.733 15.563 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -6.013 2.323 14.503 1.00 3.76 H new ATOM 637 N GLY A 41 -7.473 5.045 9.850 1.00 0.71 N ATOM 638 CA GLY A 41 -6.263 5.692 9.411 1.00 1.13 C ATOM 639 C GLY A 41 -5.352 4.751 8.662 1.00 0.94 C ATOM 640 O GLY A 41 -5.814 3.808 8.023 1.00 1.09 O ATOM 0 H GLY A 41 -7.631 4.115 9.461 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.517 6.536 8.770 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.735 6.095 10.275 1.00 1.13 H new ATOM 644 N THR A 42 -4.060 5.013 8.736 1.00 0.82 N ATOM 645 CA THR A 42 -3.070 4.195 8.057 1.00 0.68 C ATOM 646 C THR A 42 -2.756 2.928 8.835 1.00 0.65 C ATOM 647 O THR A 42 -2.817 2.900 10.067 1.00 0.75 O ATOM 648 CB THR A 42 -1.782 4.988 7.813 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.499 5.833 8.939 1.00 0.81 O ATOM 650 CG2 THR A 42 -1.916 5.826 6.558 1.00 0.71 C ATOM 0 H THR A 42 -3.669 5.793 9.264 1.00 0.82 H new ATOM 0 HA THR A 42 -3.498 3.906 7.097 1.00 0.68 H new ATOM 0 HB THR A 42 -0.958 4.286 7.684 1.00 0.69 H new ATOM 0 HG1 THR A 42 -0.673 6.334 8.773 1.00 0.81 H new ATOM 0 HG21 THR A 42 -0.995 6.386 6.394 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.102 5.175 5.704 1.00 0.71 H new ATOM 0 HG23 THR A 42 -2.748 6.521 6.672 1.00 0.71 H new ATOM 658 N ARG A 43 -2.405 1.889 8.104 1.00 0.58 N ATOM 659 CA ARG A 43 -2.048 0.622 8.692 1.00 0.58 C ATOM 660 C ARG A 43 -0.634 0.340 8.272 1.00 0.52 C ATOM 661 O ARG A 43 -0.374 0.062 7.102 1.00 0.50 O ATOM 662 CB ARG A 43 -2.970 -0.503 8.214 1.00 0.67 C ATOM 663 CG ARG A 43 -3.152 -1.615 9.241 1.00 0.86 C ATOM 664 CD ARG A 43 -1.823 -2.250 9.630 1.00 1.27 C ATOM 665 NE ARG A 43 -1.964 -3.190 10.738 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.960 -3.572 11.526 1.00 2.26 C ATOM 667 NH1 ARG A 43 0.271 -3.119 11.318 1.00 2.74 N ATOM 668 NH2 ARG A 43 -1.191 -4.416 12.522 1.00 3.01 N ATOM 0 H ARG A 43 -2.361 1.904 7.085 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.148 0.669 9.776 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.945 -0.083 7.967 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.565 -0.929 7.296 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.636 -1.212 10.131 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -3.815 -2.379 8.835 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -1.404 -2.768 8.768 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -1.116 -1.468 9.907 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.889 -3.579 10.920 1.00 1.59 H new ATOM 0 HH11 ARG A 43 0.454 -2.473 10.550 1.00 2.74 H new ATOM 0 HH12 ARG A 43 1.034 -3.417 11.926 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -2.134 -4.770 12.682 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -0.426 -4.711 13.128 1.00 3.01 H new ATOM 682 N ILE A 44 0.283 0.432 9.202 1.00 0.52 N ATOM 683 CA ILE A 44 1.668 0.398 8.829 1.00 0.51 C ATOM 684 C ILE A 44 2.352 -0.870 9.265 1.00 0.58 C ATOM 685 O ILE A 44 2.425 -1.206 10.447 1.00 0.66 O ATOM 686 CB ILE A 44 2.438 1.623 9.330 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.813 2.879 8.739 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.889 1.530 8.907 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.726 3.497 9.593 1.00 0.61 C ATOM 0 H ILE A 44 0.099 0.529 10.201 1.00 0.52 H new ATOM 0 HA ILE A 44 1.678 0.421 7.739 1.00 0.51 H new ATOM 0 HB ILE A 44 2.389 1.663 10.418 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.597 3.619 8.578 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.397 2.638 7.761 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.430 2.405 9.267 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.334 0.629 9.329 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.949 1.489 7.819 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.336 4.386 9.098 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.080 2.777 9.734 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.139 3.774 10.563 1.00 0.61 H new ATOM 701 N ILE A 45 2.804 -1.578 8.266 1.00 0.61 N ATOM 702 CA ILE A 45 3.613 -2.757 8.420 1.00 0.74 C ATOM 703 C ILE A 45 5.073 -2.396 8.316 1.00 0.77 C ATOM 704 O ILE A 45 5.403 -1.315 7.845 1.00 0.79 O ATOM 705 CB ILE A 45 3.288 -3.731 7.328 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.846 -4.033 7.367 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.086 -5.008 7.420 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.401 -4.662 6.096 1.00 1.20 C ATOM 0 H ILE A 45 2.614 -1.343 7.292 1.00 0.61 H new ATOM 0 HA ILE A 45 3.409 -3.199 9.395 1.00 0.74 H new ATOM 0 HB ILE A 45 3.558 -3.265 6.381 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.633 -4.701 8.202 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.283 -3.116 7.540 1.00 1.11 H new ATOM 0 HG21 ILE A 45 3.806 -5.672 6.602 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.149 -4.778 7.352 1.00 1.62 H new ATOM 0 HG23 ILE A 45 3.880 -5.498 8.372 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.333 -4.875 6.150 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.594 -3.982 5.266 1.00 1.20 H new ATOM 0 HD13 ILE A 45 1.949 -5.591 5.938 1.00 1.20 H new ATOM 720 N LYS A 46 5.942 -3.271 8.766 1.00 0.90 N ATOM 721 CA LYS A 46 7.356 -3.105 8.477 1.00 0.97 C ATOM 722 C LYS A 46 8.069 -4.440 8.312 1.00 1.10 C ATOM 723 O LYS A 46 7.553 -5.496 8.691 1.00 1.20 O ATOM 724 CB LYS A 46 8.060 -2.236 9.525 1.00 1.10 C ATOM 725 CG LYS A 46 7.788 -2.631 10.968 1.00 1.35 C ATOM 726 CD LYS A 46 8.674 -1.853 11.934 1.00 1.85 C ATOM 727 CE LYS A 46 8.650 -0.353 11.658 1.00 2.11 C ATOM 728 NZ LYS A 46 7.292 0.236 11.805 1.00 2.65 N ATOM 0 H LYS A 46 5.706 -4.092 9.324 1.00 0.90 H new ATOM 0 HA LYS A 46 7.412 -2.582 7.522 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.135 -2.277 9.348 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.753 -1.200 9.383 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.740 -2.448 11.205 1.00 1.35 H new ATOM 0 HG3 LYS A 46 7.961 -3.700 11.093 1.00 1.35 H new ATOM 0 HD2 LYS A 46 8.344 -2.038 12.956 1.00 1.85 H new ATOM 0 HD3 LYS A 46 9.698 -2.218 11.859 1.00 1.85 H new ATOM 0 HE2 LYS A 46 9.335 0.149 12.341 1.00 2.11 H new ATOM 0 HE3 LYS A 46 9.015 -0.168 10.648 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 7.296 1.212 11.445 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 6.608 -0.330 11.263 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 7.021 0.238 12.809 1.00 2.65 H new ATOM 742 N PHE A 47 9.261 -4.365 7.741 1.00 1.20 N ATOM 743 CA PHE A 47 10.076 -5.516 7.421 1.00 1.41 C ATOM 744 C PHE A 47 11.404 -4.949 6.990 1.00 1.59 C ATOM 745 O PHE A 47 11.459 -4.027 6.176 1.00 1.68 O ATOM 746 CB PHE A 47 9.479 -6.387 6.305 1.00 1.50 C ATOM 747 CG PHE A 47 9.826 -7.857 6.425 1.00 1.87 C ATOM 748 CD1 PHE A 47 9.130 -8.806 5.688 1.00 2.53 C ATOM 749 CD2 PHE A 47 10.852 -8.300 7.260 1.00 2.17 C ATOM 750 CE1 PHE A 47 9.442 -10.144 5.776 1.00 3.14 C ATOM 751 CE2 PHE A 47 11.159 -9.635 7.344 1.00 2.69 C ATOM 752 CZ PHE A 47 10.467 -10.552 6.686 1.00 3.10 C ATOM 0 H PHE A 47 9.695 -3.479 7.483 1.00 1.20 H new ATOM 0 HA PHE A 47 10.153 -6.177 8.285 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.395 -6.277 6.312 1.00 1.50 H new ATOM 0 HB3 PHE A 47 9.830 -6.018 5.341 1.00 1.50 H new ATOM 0 HD1 PHE A 47 8.330 -8.489 5.035 1.00 2.53 H new ATOM 0 HD2 PHE A 47 11.410 -7.585 7.846 1.00 2.17 H new ATOM 0 HE1 PHE A 47 8.923 -10.871 5.170 1.00 3.14 H new ATOM 0 HE2 PHE A 47 11.987 -9.946 7.963 1.00 2.69 H new ATOM 0 HZ PHE A 47 10.675 -11.601 6.835 1.00 3.10 H new ATOM 762 N LYS A 48 12.460 -5.466 7.532 1.00 1.83 N ATOM 763 CA LYS A 48 13.718 -4.780 7.454 1.00 2.13 C ATOM 764 C LYS A 48 14.704 -5.511 6.556 1.00 2.50 C ATOM 765 O LYS A 48 14.826 -6.737 6.612 1.00 3.01 O ATOM 766 CB LYS A 48 14.224 -4.572 8.869 1.00 2.46 C ATOM 767 CG LYS A 48 14.407 -5.862 9.657 1.00 3.10 C ATOM 768 CD LYS A 48 14.841 -5.593 11.089 1.00 3.81 C ATOM 769 CE LYS A 48 16.296 -5.155 11.166 1.00 4.36 C ATOM 770 NZ LYS A 48 17.228 -6.240 10.759 1.00 4.90 N ATOM 0 H LYS A 48 12.481 -6.355 8.031 1.00 1.83 H new ATOM 0 HA LYS A 48 13.593 -3.805 6.983 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.177 -4.044 8.829 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.525 -3.928 9.403 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.472 -6.422 9.660 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.151 -6.487 9.163 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.206 -4.821 11.522 1.00 3.81 H new ATOM 0 HD3 LYS A 48 14.700 -6.494 11.687 1.00 3.81 H new ATOM 0 HE2 LYS A 48 16.448 -4.287 10.524 1.00 4.36 H new ATOM 0 HE3 LYS A 48 16.527 -4.842 12.184 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 18.185 -6.024 11.105 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 16.908 -7.143 11.165 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 17.244 -6.313 9.722 1.00 4.90 H new ATOM 784 N ASP A 49 15.381 -4.747 5.706 1.00 2.76 N ATOM 785 CA ASP A 49 16.236 -5.315 4.672 1.00 3.32 C ATOM 786 C ASP A 49 17.662 -4.789 4.758 1.00 3.36 C ATOM 787 O ASP A 49 17.888 -3.586 4.913 1.00 3.77 O ATOM 788 CB ASP A 49 15.668 -5.008 3.282 1.00 4.26 C ATOM 789 CG ASP A 49 16.602 -5.446 2.171 1.00 4.93 C ATOM 790 OD1 ASP A 49 16.947 -4.609 1.306 1.00 5.45 O ATOM 791 OD2 ASP A 49 17.007 -6.628 2.169 1.00 5.24 O ATOM 0 H ASP A 49 15.353 -3.727 5.714 1.00 2.76 H new ATOM 0 HA ASP A 49 16.260 -6.393 4.834 1.00 3.32 H new ATOM 0 HB2 ASP A 49 14.707 -5.510 3.165 1.00 4.26 H new ATOM 0 HB3 ASP A 49 15.481 -3.938 3.196 1.00 4.26 H new ATOM 796 N ASP A 50 18.615 -5.707 4.679 1.00 3.50 N ATOM 797 CA ASP A 50 20.026 -5.355 4.568 1.00 3.96 C ATOM 798 C ASP A 50 20.723 -6.280 3.573 1.00 4.13 C ATOM 799 O ASP A 50 21.936 -6.192 3.366 1.00 4.41 O ATOM 800 CB ASP A 50 20.724 -5.416 5.933 1.00 4.66 C ATOM 801 CG ASP A 50 20.610 -6.770 6.606 1.00 5.23 C ATOM 802 OD1 ASP A 50 21.357 -7.698 6.231 1.00 5.65 O ATOM 803 OD2 ASP A 50 19.781 -6.906 7.533 1.00 5.56 O ATOM 0 H ASP A 50 18.435 -6.711 4.690 1.00 3.50 H new ATOM 0 HA ASP A 50 20.091 -4.329 4.205 1.00 3.96 H new ATOM 0 HB2 ASP A 50 21.778 -5.169 5.805 1.00 4.66 H new ATOM 0 HB3 ASP A 50 20.295 -4.656 6.587 1.00 4.66 H new ATOM 808 N GLY A 51 19.944 -7.147 2.936 1.00 4.42 N ATOM 809 CA GLY A 51 20.503 -8.092 1.988 1.00 5.01 C ATOM 810 C GLY A 51 20.000 -7.840 0.585 1.00 5.12 C ATOM 811 O GLY A 51 20.285 -8.606 -0.335 1.00 5.72 O ATOM 0 H GLY A 51 18.934 -7.212 3.060 1.00 4.42 H new ATOM 0 HA2 GLY A 51 21.591 -8.022 2.003 1.00 5.01 H new ATOM 0 HA3 GLY A 51 20.245 -9.107 2.290 1.00 5.01 H new ATOM 815 N THR A 52 19.239 -6.756 0.446 1.00 4.86 N ATOM 816 CA THR A 52 18.644 -6.329 -0.820 1.00 5.25 C ATOM 817 C THR A 52 17.731 -7.392 -1.418 1.00 5.04 C ATOM 818 O THR A 52 17.327 -8.333 -0.731 1.00 4.76 O ATOM 819 CB THR A 52 19.680 -5.893 -1.867 1.00 5.76 C ATOM 820 OG1 THR A 52 20.465 -7.002 -2.326 1.00 5.54 O ATOM 821 CG2 THR A 52 20.595 -4.813 -1.312 1.00 6.40 C ATOM 0 H THR A 52 19.014 -6.137 1.225 1.00 4.86 H new ATOM 0 HA THR A 52 18.047 -5.454 -0.562 1.00 5.25 H new ATOM 0 HB THR A 52 19.126 -5.489 -2.714 1.00 5.76 H new ATOM 0 HG1 THR A 52 20.185 -7.817 -1.859 1.00 5.54 H new ATOM 0 HG21 THR A 52 21.319 -4.523 -2.074 1.00 6.40 H new ATOM 0 HG22 THR A 52 20.001 -3.945 -1.026 1.00 6.40 H new ATOM 0 HG23 THR A 52 21.122 -5.196 -0.438 1.00 6.40 H new ATOM 829 N GLU A 53 17.426 -7.240 -2.713 1.00 5.50 N ATOM 830 CA GLU A 53 16.430 -8.030 -3.381 1.00 5.71 C ATOM 831 C GLU A 53 15.155 -8.117 -2.552 1.00 5.89 C ATOM 832 O GLU A 53 14.480 -9.146 -2.519 1.00 6.33 O ATOM 833 CB GLU A 53 17.006 -9.396 -3.673 1.00 6.53 C ATOM 834 CG GLU A 53 18.311 -9.351 -4.451 1.00 6.78 C ATOM 835 CD GLU A 53 18.905 -10.723 -4.672 1.00 7.39 C ATOM 836 OE1 GLU A 53 18.443 -11.433 -5.590 1.00 7.81 O ATOM 837 OE2 GLU A 53 19.843 -11.097 -3.934 1.00 7.67 O ATOM 0 H GLU A 53 17.878 -6.554 -3.317 1.00 5.50 H new ATOM 0 HA GLU A 53 16.156 -7.555 -4.323 1.00 5.71 H new ATOM 0 HB2 GLU A 53 17.171 -9.920 -2.732 1.00 6.53 H new ATOM 0 HB3 GLU A 53 16.276 -9.976 -4.237 1.00 6.53 H new ATOM 0 HG2 GLU A 53 18.138 -8.875 -5.416 1.00 6.78 H new ATOM 0 HG3 GLU A 53 19.029 -8.731 -3.914 1.00 6.78 H new ATOM 844 N ARG A 54 14.843 -7.018 -1.869 1.00 5.89 N ATOM 845 CA ARG A 54 13.668 -6.971 -1.009 1.00 6.41 C ATOM 846 C ARG A 54 12.385 -6.933 -1.831 1.00 5.90 C ATOM 847 O ARG A 54 11.358 -7.424 -1.389 1.00 6.48 O ATOM 848 CB ARG A 54 13.709 -5.781 -0.036 1.00 7.06 C ATOM 849 CG ARG A 54 13.613 -4.400 -0.683 1.00 7.90 C ATOM 850 CD ARG A 54 14.972 -3.862 -1.107 1.00 8.75 C ATOM 851 NE ARG A 54 15.261 -4.091 -2.525 1.00 9.31 N ATOM 852 CZ ARG A 54 16.473 -3.939 -3.062 1.00 10.15 C ATOM 853 NH1 ARG A 54 17.502 -3.609 -2.295 1.00 10.53 N ATOM 854 NH2 ARG A 54 16.654 -4.115 -4.362 1.00 10.77 N ATOM 0 H ARG A 54 15.385 -6.154 -1.895 1.00 5.89 H new ATOM 0 HA ARG A 54 13.678 -7.886 -0.416 1.00 6.41 H new ATOM 0 HB2 ARG A 54 12.890 -5.887 0.676 1.00 7.06 H new ATOM 0 HB3 ARG A 54 14.636 -5.832 0.535 1.00 7.06 H new ATOM 0 HG2 ARG A 54 12.959 -4.454 -1.553 1.00 7.90 H new ATOM 0 HG3 ARG A 54 13.153 -3.704 0.019 1.00 7.90 H new ATOM 0 HD2 ARG A 54 15.013 -2.792 -0.902 1.00 8.75 H new ATOM 0 HD3 ARG A 54 15.748 -4.333 -0.503 1.00 8.75 H new ATOM 0 HE ARG A 54 14.496 -4.382 -3.133 1.00 9.31 H new ATOM 0 HH11 ARG A 54 17.368 -3.471 -1.293 1.00 10.53 H new ATOM 0 HH12 ARG A 54 18.428 -3.493 -2.706 1.00 10.53 H new ATOM 0 HH21 ARG A 54 15.865 -4.368 -4.957 1.00 10.77 H new ATOM 0 HH22 ARG A 54 17.582 -3.998 -4.768 1.00 10.77 H new ATOM 868 N SER A 55 12.464 -6.313 -3.010 1.00 5.08 N ATOM 869 CA SER A 55 11.372 -6.271 -3.997 1.00 4.86 C ATOM 870 C SER A 55 10.087 -5.597 -3.501 1.00 3.87 C ATOM 871 O SER A 55 9.144 -5.448 -4.270 1.00 3.94 O ATOM 872 CB SER A 55 11.083 -7.675 -4.532 1.00 5.52 C ATOM 873 OG SER A 55 12.258 -8.268 -5.065 1.00 6.28 O ATOM 0 H SER A 55 13.301 -5.816 -3.315 1.00 5.08 H new ATOM 0 HA SER A 55 11.730 -5.635 -4.806 1.00 4.86 H new ATOM 0 HB2 SER A 55 10.688 -8.299 -3.731 1.00 5.52 H new ATOM 0 HB3 SER A 55 10.315 -7.623 -5.304 1.00 5.52 H new ATOM 0 HG SER A 55 12.049 -9.165 -5.399 1.00 6.28 H new ATOM 879 N ARG A 56 10.059 -5.223 -2.220 1.00 3.37 N ATOM 880 CA ARG A 56 9.040 -4.334 -1.648 1.00 2.70 C ATOM 881 C ARG A 56 7.619 -4.910 -1.674 1.00 2.24 C ATOM 882 O ARG A 56 7.356 -5.921 -2.318 1.00 2.47 O ATOM 883 CB ARG A 56 9.127 -2.961 -2.336 1.00 3.43 C ATOM 884 CG ARG A 56 7.865 -2.509 -3.074 1.00 4.15 C ATOM 885 CD ARG A 56 7.898 -2.920 -4.535 1.00 4.75 C ATOM 886 NE ARG A 56 6.568 -2.991 -5.130 1.00 5.53 N ATOM 887 CZ ARG A 56 6.071 -4.088 -5.707 1.00 6.18 C ATOM 888 NH1 ARG A 56 6.767 -5.221 -5.716 1.00 6.21 N ATOM 889 NH2 ARG A 56 4.868 -4.054 -6.258 1.00 7.08 N ATOM 0 H ARG A 56 10.753 -5.533 -1.539 1.00 3.37 H new ATOM 0 HA ARG A 56 9.259 -4.224 -0.586 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.373 -2.212 -1.583 1.00 3.43 H new ATOM 0 HB3 ARG A 56 9.953 -2.983 -3.046 1.00 3.43 H new ATOM 0 HG2 ARG A 56 6.987 -2.940 -2.593 1.00 4.15 H new ATOM 0 HG3 ARG A 56 7.768 -1.426 -3.002 1.00 4.15 H new ATOM 0 HD2 ARG A 56 8.504 -2.208 -5.095 1.00 4.75 H new ATOM 0 HD3 ARG A 56 8.384 -3.892 -4.624 1.00 4.75 H new ATOM 0 HE ARG A 56 5.984 -2.155 -5.104 1.00 5.53 H new ATOM 0 HH11 ARG A 56 7.688 -5.257 -5.280 1.00 6.21 H new ATOM 0 HH12 ARG A 56 6.380 -6.054 -6.159 1.00 6.21 H new ATOM 0 HH21 ARG A 56 4.324 -3.192 -6.241 1.00 7.08 H new ATOM 0 HH22 ARG A 56 4.485 -4.890 -6.700 1.00 7.08 H new ATOM 903 N TRP A 57 6.687 -4.263 -0.961 1.00 1.83 N ATOM 904 CA TRP A 57 5.383 -4.862 -0.762 1.00 1.49 C ATOM 905 C TRP A 57 4.367 -4.322 -1.744 1.00 1.19 C ATOM 906 O TRP A 57 4.398 -3.148 -2.116 1.00 1.43 O ATOM 907 CB TRP A 57 4.857 -4.641 0.657 1.00 1.69 C ATOM 908 CG TRP A 57 5.700 -5.224 1.755 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.057 -5.153 1.907 1.00 1.56 C ATOM 910 CD2 TRP A 57 5.208 -5.933 2.892 1.00 2.78 C ATOM 911 NE1 TRP A 57 7.435 -5.802 3.059 1.00 1.85 N ATOM 912 CE2 TRP A 57 6.313 -6.285 3.683 1.00 2.70 C ATOM 913 CE3 TRP A 57 3.933 -6.313 3.308 1.00 3.91 C ATOM 914 CZ2 TRP A 57 6.176 -6.997 4.871 1.00 3.65 C ATOM 915 CZ3 TRP A 57 3.799 -7.017 4.485 1.00 4.90 C ATOM 916 CH2 TRP A 57 4.915 -7.353 5.255 1.00 4.75 C ATOM 0 H TRP A 57 6.816 -3.349 -0.527 1.00 1.83 H new ATOM 0 HA TRP A 57 5.518 -5.931 -0.927 1.00 1.49 H new ATOM 0 HB2 TRP A 57 4.760 -3.569 0.827 1.00 1.69 H new ATOM 0 HB3 TRP A 57 3.856 -5.067 0.726 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.732 -4.660 1.223 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.393 -5.907 3.394 1.00 1.85 H new ATOM 0 HE3 TRP A 57 3.065 -6.060 2.718 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 7.037 -7.259 5.468 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 2.815 -7.314 4.818 1.00 4.90 H new ATOM 0 HH2 TRP A 57 4.778 -7.906 6.173 1.00 4.75 H new ATOM 927 N ASN A 58 3.483 -5.203 -2.163 1.00 0.91 N ATOM 928 CA ASN A 58 2.319 -4.823 -2.932 1.00 0.71 C ATOM 929 C ASN A 58 1.081 -5.397 -2.258 1.00 0.59 C ATOM 930 O ASN A 58 1.002 -6.602 -1.989 1.00 0.71 O ATOM 931 CB ASN A 58 2.439 -5.321 -4.376 1.00 0.74 C ATOM 932 CG ASN A 58 1.207 -5.037 -5.216 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.285 -5.854 -5.281 1.00 2.05 O ATOM 934 ND2 ASN A 58 1.188 -3.892 -5.884 1.00 1.91 N ATOM 0 H ASN A 58 3.552 -6.204 -1.979 1.00 0.91 H new ATOM 0 HA ASN A 58 2.240 -3.736 -2.968 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.305 -4.852 -4.844 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.624 -6.395 -4.368 1.00 0.74 H new ATOM 0 HD21 ASN A 58 0.391 -3.661 -6.478 1.00 1.91 H new ATOM 0 HD22 ASN A 58 1.970 -3.242 -5.804 1.00 1.91 H new ATOM 941 N CYS A 59 0.136 -4.528 -1.976 1.00 0.55 N ATOM 942 CA CYS A 59 -1.057 -4.877 -1.228 1.00 0.50 C ATOM 943 C CYS A 59 -2.203 -5.181 -2.184 1.00 0.44 C ATOM 944 O CYS A 59 -2.236 -4.673 -3.300 1.00 0.56 O ATOM 945 CB CYS A 59 -1.450 -3.715 -0.304 1.00 0.60 C ATOM 946 SG CYS A 59 -0.147 -3.153 0.863 1.00 0.76 S ATOM 0 H CYS A 59 0.172 -3.549 -2.261 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.851 -5.762 -0.627 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.749 -2.868 -0.922 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.325 -4.013 0.273 1.00 0.60 H new ATOM 951 N LEU A 60 -3.142 -6.006 -1.753 1.00 0.36 N ATOM 952 CA LEU A 60 -4.283 -6.327 -2.564 1.00 0.34 C ATOM 953 C LEU A 60 -5.507 -5.956 -1.790 1.00 0.29 C ATOM 954 O LEU A 60 -5.717 -6.436 -0.680 1.00 0.32 O ATOM 955 CB LEU A 60 -4.306 -7.816 -2.923 1.00 0.44 C ATOM 956 CG LEU A 60 -5.586 -8.303 -3.613 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.776 -7.612 -4.953 1.00 1.90 C ATOM 958 CD2 LEU A 60 -5.552 -9.813 -3.789 1.00 1.85 C ATOM 0 H LEU A 60 -3.128 -6.463 -0.841 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.240 -5.774 -3.502 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.458 -8.029 -3.574 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.161 -8.395 -2.011 1.00 0.44 H new ATOM 0 HG LEU A 60 -6.434 -8.047 -2.978 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -6.690 -7.974 -5.423 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.849 -6.535 -4.800 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.925 -7.830 -5.599 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -6.468 -10.143 -4.280 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.693 -10.089 -4.400 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -5.471 -10.291 -2.813 1.00 1.85 H new ATOM 970 N PHE A 61 -6.303 -5.101 -2.361 1.00 0.29 N ATOM 971 CA PHE A 61 -7.502 -4.677 -1.710 1.00 0.28 C ATOM 972 C PHE A 61 -8.637 -5.500 -2.272 1.00 0.37 C ATOM 973 O PHE A 61 -8.596 -5.866 -3.443 1.00 0.48 O ATOM 974 CB PHE A 61 -7.790 -3.185 -1.968 1.00 0.32 C ATOM 975 CG PHE A 61 -6.860 -2.212 -1.314 1.00 0.30 C ATOM 976 CD1 PHE A 61 -6.043 -2.654 -0.299 1.00 0.59 C ATOM 977 CD2 PHE A 61 -6.780 -0.888 -1.705 1.00 0.54 C ATOM 978 CE1 PHE A 61 -5.167 -1.817 0.328 1.00 0.63 C ATOM 979 CE2 PHE A 61 -5.906 -0.024 -1.077 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.182 -0.334 -0.155 1.00 0.37 C ATOM 0 H PHE A 61 -6.141 -4.684 -3.278 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.395 -4.814 -0.634 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.766 -3.012 -3.044 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.804 -2.968 -1.633 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -6.096 -3.688 0.009 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -7.406 -0.527 -2.508 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -4.505 -2.160 1.109 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -5.864 0.996 -1.430 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.557 0.405 0.324 1.00 0.37 H new ATOM 990 N ARG A 62 -9.614 -5.824 -1.443 1.00 0.47 N ATOM 991 CA ARG A 62 -10.807 -6.521 -1.902 1.00 0.66 C ATOM 992 C ARG A 62 -11.845 -6.545 -0.770 1.00 0.89 C ATOM 993 O ARG A 62 -11.527 -6.209 0.373 1.00 1.05 O ATOM 994 CB ARG A 62 -10.453 -7.958 -2.343 1.00 0.84 C ATOM 995 CG ARG A 62 -11.646 -8.812 -2.767 1.00 1.49 C ATOM 996 CD ARG A 62 -12.397 -8.201 -3.940 1.00 1.88 C ATOM 997 NE ARG A 62 -13.551 -9.004 -4.328 1.00 2.29 N ATOM 998 CZ ARG A 62 -14.817 -8.583 -4.303 1.00 2.86 C ATOM 999 NH1 ARG A 62 -15.117 -7.350 -3.908 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -15.787 -9.398 -4.695 1.00 3.63 N ATOM 0 H ARG A 62 -9.606 -5.615 -0.445 1.00 0.47 H new ATOM 0 HA ARG A 62 -11.225 -5.997 -2.761 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.749 -7.905 -3.174 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.940 -8.459 -1.522 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -11.300 -9.809 -3.038 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -12.326 -8.929 -1.923 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -12.727 -7.196 -3.676 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -11.722 -8.101 -4.790 1.00 1.88 H new ATOM 0 HE ARG A 62 -13.377 -9.959 -4.642 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -14.375 -6.712 -3.619 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -16.089 -7.041 -3.894 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -15.563 -10.341 -5.013 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -16.757 -9.082 -4.678 1.00 3.63 H new ATOM 1014 N GLN A 63 -13.074 -6.922 -1.101 1.00 1.13 N ATOM 1015 CA GLN A 63 -14.134 -7.093 -0.124 1.00 1.48 C ATOM 1016 C GLN A 63 -15.050 -8.229 -0.591 1.00 2.09 C ATOM 1017 O GLN A 63 -16.239 -8.033 -0.835 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.920 -5.787 0.041 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.888 -5.791 1.213 1.00 2.15 C ATOM 1020 CD GLN A 63 -16.637 -4.481 1.350 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -16.188 -3.563 2.036 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -17.785 -4.385 0.702 1.00 3.03 N ATOM 0 H GLN A 63 -13.361 -7.118 -2.060 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.710 -7.348 0.847 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -14.216 -4.965 0.168 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.476 -5.592 -0.876 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.603 -6.604 1.087 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.339 -5.990 2.133 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -18.123 -5.169 0.144 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -18.333 -3.527 0.760 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.463 -9.409 -0.754 1.00 2.55 N ATOM 1032 CA GLY A 64 -15.195 -10.554 -1.259 1.00 3.28 C ATOM 1033 C GLY A 64 -14.296 -11.497 -2.030 1.00 3.41 C ATOM 1034 O GLY A 64 -13.113 -11.624 -1.719 1.00 3.88 O ATOM 0 H GLY A 64 -13.482 -9.593 -0.543 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -15.655 -11.088 -0.427 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -16.004 -10.213 -1.905 1.00 3.28 H new ATOM 1038 N ILE A 65 -14.856 -12.146 -3.041 1.00 3.49 N ATOM 1039 CA ILE A 65 -14.094 -13.044 -3.902 1.00 3.94 C ATOM 1040 C ILE A 65 -12.985 -12.291 -4.631 1.00 4.01 C ATOM 1041 O ILE A 65 -13.264 -11.389 -5.415 1.00 4.32 O ATOM 1042 CB ILE A 65 -15.011 -13.723 -4.943 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -14.216 -14.671 -5.851 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -15.718 -12.666 -5.762 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -13.604 -15.848 -5.121 1.00 5.57 C ATOM 0 H ILE A 65 -15.843 -12.067 -3.288 1.00 3.49 H new ATOM 0 HA ILE A 65 -13.650 -13.807 -3.262 1.00 3.94 H new ATOM 0 HB ILE A 65 -15.752 -14.322 -4.415 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -14.874 -15.045 -6.635 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -13.422 -14.108 -6.342 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -16.365 -13.147 -6.496 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -16.319 -12.038 -5.105 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -14.980 -12.050 -6.276 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -13.059 -16.472 -5.829 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -12.919 -15.485 -4.355 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -14.393 -16.436 -4.653 1.00 5.57 H new ATOM 1057 N ASN A 66 -11.721 -12.612 -4.388 1.00 4.06 N ATOM 1058 CA ASN A 66 -10.706 -11.990 -5.213 1.00 4.27 C ATOM 1059 C ASN A 66 -10.154 -12.969 -6.230 1.00 4.09 C ATOM 1060 O ASN A 66 -9.030 -13.455 -6.127 1.00 4.26 O ATOM 1061 CB ASN A 66 -9.564 -11.405 -4.363 1.00 4.76 C ATOM 1062 CG ASN A 66 -9.121 -12.314 -3.230 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -9.661 -12.256 -2.127 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -8.127 -13.150 -3.483 1.00 6.08 N ATOM 0 H ASN A 66 -11.391 -13.259 -3.672 1.00 4.06 H new ATOM 0 HA ASN A 66 -11.185 -11.169 -5.746 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -8.710 -11.201 -5.009 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -9.885 -10.450 -3.947 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -7.786 -13.773 -2.751 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -7.702 -13.171 -4.410 1.00 6.08 H new ATOM 1071 N MET A 67 -10.976 -13.249 -7.222 1.00 4.09 N ATOM 1072 CA MET A 67 -10.518 -13.578 -8.552 1.00 4.13 C ATOM 1073 C MET A 67 -10.700 -12.319 -9.375 1.00 3.60 C ATOM 1074 O MET A 67 -10.000 -12.055 -10.351 1.00 3.77 O ATOM 1075 CB MET A 67 -11.309 -14.742 -9.150 1.00 4.54 C ATOM 1076 CG MET A 67 -10.706 -15.269 -10.441 1.00 5.19 C ATOM 1077 SD MET A 67 -9.007 -15.832 -10.217 1.00 6.00 S ATOM 1078 CE MET A 67 -8.579 -16.287 -11.895 1.00 6.30 C ATOM 0 H MET A 67 -11.991 -13.254 -7.123 1.00 4.09 H new ATOM 0 HA MET A 67 -9.477 -13.902 -8.537 1.00 4.13 H new ATOM 0 HB2 MET A 67 -11.359 -15.552 -8.422 1.00 4.54 H new ATOM 0 HB3 MET A 67 -12.333 -14.419 -9.339 1.00 4.54 H new ATOM 0 HG2 MET A 67 -11.314 -16.093 -10.815 1.00 5.19 H new ATOM 0 HG3 MET A 67 -10.731 -14.486 -11.198 1.00 5.19 H new ATOM 0 HE1 MET A 67 -7.554 -16.656 -11.922 1.00 6.30 H new ATOM 0 HE2 MET A 67 -9.255 -17.068 -12.244 1.00 6.30 H new ATOM 0 HE3 MET A 67 -8.668 -15.415 -12.542 1.00 6.30 H new ATOM 1088 N LYS A 68 -11.679 -11.549 -8.910 1.00 3.30 N ATOM 1089 CA LYS A 68 -12.159 -10.350 -9.562 1.00 3.12 C ATOM 1090 C LYS A 68 -12.409 -9.279 -8.518 1.00 2.78 C ATOM 1091 O LYS A 68 -12.357 -9.566 -7.321 1.00 3.25 O ATOM 1092 CB LYS A 68 -13.476 -10.644 -10.280 1.00 3.71 C ATOM 1093 CG LYS A 68 -13.326 -11.518 -11.513 1.00 4.30 C ATOM 1094 CD LYS A 68 -14.635 -11.621 -12.277 1.00 4.85 C ATOM 1095 CE LYS A 68 -14.462 -12.381 -13.580 1.00 5.37 C ATOM 1096 NZ LYS A 68 -15.728 -12.447 -14.353 1.00 5.81 N ATOM 0 H LYS A 68 -12.171 -11.755 -8.041 1.00 3.30 H new ATOM 0 HA LYS A 68 -11.413 -10.012 -10.281 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -14.157 -11.131 -9.583 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -13.938 -9.700 -10.570 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -12.554 -11.105 -12.163 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -12.995 -12.514 -11.218 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -15.380 -12.122 -11.659 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -15.015 -10.621 -12.486 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -13.693 -11.898 -14.183 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -14.113 -13.391 -13.368 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -15.569 -12.974 -15.236 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -16.455 -12.930 -13.788 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -16.048 -11.483 -14.578 1.00 5.81 H new ATOM 1110 N PHE A 69 -12.698 -8.063 -8.976 1.00 2.52 N ATOM 1111 CA PHE A 69 -13.084 -6.957 -8.101 1.00 2.44 C ATOM 1112 C PHE A 69 -11.931 -6.486 -7.212 1.00 2.04 C ATOM 1113 O PHE A 69 -11.068 -7.269 -6.810 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.293 -7.347 -7.237 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.587 -7.430 -7.994 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.373 -6.304 -8.170 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.023 -8.636 -8.518 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -17.568 -6.377 -8.858 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -17.216 -8.716 -9.207 1.00 5.20 C ATOM 1120 CZ PHE A 69 -17.990 -7.585 -9.377 1.00 6.01 C ATOM 0 H PHE A 69 -12.671 -7.816 -9.965 1.00 2.52 H new ATOM 0 HA PHE A 69 -13.358 -6.123 -8.748 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.096 -8.312 -6.769 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.401 -6.619 -6.433 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -16.048 -5.357 -7.764 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -15.422 -9.524 -8.386 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -18.171 -5.491 -8.990 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -17.544 -9.662 -9.613 1.00 5.20 H new ATOM 0 HZ PHE A 69 -18.924 -7.645 -9.915 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.918 -5.182 -6.939 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.966 -4.578 -6.013 1.00 0.92 C ATOM 1132 C PHE A 70 -9.549 -4.508 -6.595 1.00 0.79 C ATOM 1133 O PHE A 70 -9.274 -5.090 -7.642 1.00 1.19 O ATOM 1134 CB PHE A 70 -11.038 -5.243 -4.686 1.00 1.37 C ATOM 1135 CG PHE A 70 -11.651 -4.303 -3.696 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -12.952 -4.466 -3.256 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -10.925 -3.230 -3.225 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -13.504 -3.582 -2.366 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -11.467 -2.349 -2.338 1.00 3.59 C ATOM 1140 CZ PHE A 70 -12.763 -2.517 -1.900 1.00 3.63 C ATOM 0 H PHE A 70 -12.569 -4.516 -7.355 1.00 1.22 H new ATOM 0 HA PHE A 70 -11.251 -3.537 -5.858 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.631 -6.155 -4.755 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.041 -5.536 -4.358 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -13.539 -5.298 -3.617 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -9.910 -3.085 -3.565 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -14.521 -3.720 -2.029 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -10.880 -1.517 -1.977 1.00 3.59 H new ATOM 0 HZ PHE A 70 -13.195 -1.820 -1.197 1.00 3.63 H new ATOM 1150 N THR A 71 -8.646 -3.799 -5.923 1.00 0.58 N ATOM 1151 CA THR A 71 -7.437 -3.318 -6.580 1.00 0.49 C ATOM 1152 C THR A 71 -6.162 -3.746 -5.862 1.00 0.40 C ATOM 1153 O THR A 71 -6.112 -3.795 -4.638 1.00 0.49 O ATOM 1154 CB THR A 71 -7.469 -1.780 -6.696 1.00 0.56 C ATOM 1155 OG1 THR A 71 -6.346 -1.302 -7.444 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.471 -1.144 -5.320 1.00 0.48 C ATOM 0 H THR A 71 -8.727 -3.548 -4.938 1.00 0.58 H new ATOM 0 HA THR A 71 -7.421 -3.770 -7.572 1.00 0.49 H new ATOM 0 HB THR A 71 -8.384 -1.503 -7.220 1.00 0.56 H new ATOM 0 HG1 THR A 71 -6.536 -0.401 -7.780 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.494 -0.059 -5.421 1.00 0.48 H new ATOM 0 HG22 THR A 71 -8.350 -1.476 -4.767 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.571 -1.440 -4.781 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.134 -4.063 -6.639 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.818 -4.342 -6.089 1.00 0.45 C ATOM 1166 C GLU A 72 -2.950 -3.090 -6.183 1.00 0.47 C ATOM 1167 O GLU A 72 -2.751 -2.539 -7.268 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.164 -5.527 -6.816 1.00 0.63 C ATOM 1169 CG GLU A 72 -3.141 -5.397 -8.333 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.443 -6.558 -9.015 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.281 -6.398 -9.443 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -3.048 -7.647 -9.112 1.00 1.80 O ATOM 0 H GLU A 72 -5.189 -4.133 -7.655 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.920 -4.619 -5.040 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -2.141 -5.638 -6.457 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.696 -6.440 -6.549 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -4.164 -5.328 -8.702 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -2.640 -4.468 -8.605 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.453 -2.625 -5.044 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.700 -1.382 -5.002 1.00 0.52 C ATOM 1181 C VAL A 73 -0.441 -1.511 -4.134 1.00 0.64 C ATOM 1182 O VAL A 73 -0.308 -2.461 -3.383 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.553 -0.194 -4.517 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.629 0.857 -5.614 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.945 -0.649 -4.142 1.00 0.53 C ATOM 0 H VAL A 73 -2.558 -3.089 -4.142 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.397 -1.179 -6.029 1.00 0.52 H new ATOM 0 HB VAL A 73 -2.084 0.234 -3.631 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -3.232 1.698 -5.271 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.625 1.205 -5.854 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -3.085 0.422 -6.504 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.528 0.207 -3.803 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.428 -1.096 -5.011 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.883 -1.386 -3.342 1.00 0.53 H new ATOM 1195 N GLU A 74 0.474 -0.556 -4.251 1.00 0.80 N ATOM 1196 CA GLU A 74 1.741 -0.559 -3.505 1.00 0.96 C ATOM 1197 C GLU A 74 1.555 -0.351 -2.012 1.00 0.98 C ATOM 1198 O GLU A 74 0.437 -0.308 -1.497 1.00 1.16 O ATOM 1199 CB GLU A 74 2.657 0.496 -4.080 1.00 1.24 C ATOM 1200 CG GLU A 74 2.966 0.296 -5.553 1.00 1.49 C ATOM 1201 CD GLU A 74 3.767 -0.962 -5.805 1.00 1.71 C ATOM 1202 OE1 GLU A 74 5.009 -0.916 -5.700 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.158 -2.008 -6.105 1.00 2.02 O ATOM 0 H GLU A 74 0.364 0.249 -4.867 1.00 0.80 H new ATOM 0 HA GLU A 74 2.187 -1.547 -3.617 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.200 1.476 -3.943 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.591 0.499 -3.519 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.033 0.249 -6.115 1.00 1.49 H new ATOM 0 HG3 GLU A 74 3.520 1.158 -5.926 1.00 1.49 H new ATOM 1210 N ALA A 75 2.678 -0.270 -1.325 1.00 1.06 N ATOM 1211 CA ALA A 75 2.690 -0.361 0.113 1.00 1.12 C ATOM 1212 C ALA A 75 3.199 0.897 0.827 1.00 1.43 C ATOM 1213 O ALA A 75 2.415 1.678 1.337 1.00 1.80 O ATOM 1214 CB ALA A 75 3.539 -1.546 0.494 1.00 1.02 C ATOM 0 H ALA A 75 3.597 -0.140 -1.748 1.00 1.06 H new ATOM 0 HA ALA A 75 1.656 -0.474 0.439 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.566 -1.640 1.580 1.00 1.02 H new ATOM 0 HB2 ALA A 75 3.114 -2.452 0.062 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.552 -1.405 0.116 1.00 1.02 H new ATOM 1220 N TYR A 76 4.514 1.108 0.822 1.00 1.71 N ATOM 1221 CA TYR A 76 5.153 2.050 1.830 1.00 2.10 C ATOM 1222 C TYR A 76 4.959 3.564 1.525 1.00 2.93 C ATOM 1223 O TYR A 76 4.329 3.913 0.591 1.00 3.37 O ATOM 1224 CB TYR A 76 6.643 1.726 2.013 1.00 2.06 C ATOM 1225 CG TYR A 76 7.323 2.543 3.107 1.00 2.42 C ATOM 1226 CD1 TYR A 76 8.630 2.999 2.953 1.00 3.02 C ATOM 1227 CD2 TYR A 76 6.676 2.832 4.299 1.00 2.63 C ATOM 1228 CE1 TYR A 76 9.264 3.705 3.943 1.00 3.55 C ATOM 1229 CE2 TYR A 76 7.305 3.548 5.294 1.00 3.23 C ATOM 1230 CZ TYR A 76 8.521 4.077 5.090 1.00 3.62 C ATOM 1231 OH TYR A 76 9.248 4.693 6.094 1.00 4.28 O ATOM 0 H TYR A 76 5.166 0.672 0.169 1.00 1.71 H new ATOM 0 HA TYR A 76 4.617 1.871 2.762 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.748 0.666 2.246 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.161 1.898 1.069 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.156 2.792 2.033 1.00 3.02 H new ATOM 0 HD2 TYR A 76 5.663 2.490 4.450 1.00 2.63 H new ATOM 0 HE1 TYR A 76 10.307 3.971 3.850 1.00 3.55 H new ATOM 0 HE2 TYR A 76 6.815 3.685 6.247 1.00 3.23 H new ATOM 0 HH TYR A 76 8.909 4.405 6.967 1.00 4.28 H new ATOM 1241 N ARG A 77 5.447 4.464 2.390 1.00 3.45 N ATOM 1242 CA ARG A 77 5.189 5.907 2.261 1.00 4.39 C ATOM 1243 C ARG A 77 6.309 6.609 1.492 1.00 4.69 C ATOM 1244 O ARG A 77 7.463 6.604 1.924 1.00 4.62 O ATOM 1245 CB ARG A 77 5.043 6.539 3.650 1.00 5.09 C ATOM 1246 CG ARG A 77 4.323 7.878 3.637 1.00 5.52 C ATOM 1247 CD ARG A 77 4.240 8.482 5.029 1.00 6.16 C ATOM 1248 NE ARG A 77 3.333 9.628 5.071 1.00 6.62 N ATOM 1249 CZ ARG A 77 3.587 10.766 5.714 1.00 7.29 C ATOM 1250 NH1 ARG A 77 4.743 10.947 6.338 1.00 7.66 N ATOM 1251 NH2 ARG A 77 2.684 11.735 5.713 1.00 7.82 N ATOM 0 H ARG A 77 6.027 4.217 3.192 1.00 3.45 H new ATOM 0 HA ARG A 77 4.262 6.032 1.701 1.00 4.39 H new ATOM 0 HB2 ARG A 77 4.501 5.851 4.298 1.00 5.09 H new ATOM 0 HB3 ARG A 77 6.033 6.673 4.085 1.00 5.09 H new ATOM 0 HG2 ARG A 77 4.845 8.566 2.972 1.00 5.52 H new ATOM 0 HG3 ARG A 77 3.318 7.747 3.236 1.00 5.52 H new ATOM 0 HD2 ARG A 77 3.900 7.724 5.734 1.00 6.16 H new ATOM 0 HD3 ARG A 77 5.234 8.793 5.350 1.00 6.16 H new ATOM 0 HE ARG A 77 2.446 9.550 4.574 1.00 6.62 H new ATOM 0 HH11 ARG A 77 5.448 10.210 6.329 1.00 7.66 H new ATOM 0 HH12 ARG A 77 4.927 11.823 6.827 1.00 7.66 H new ATOM 0 HH21 ARG A 77 1.799 11.607 5.221 1.00 7.82 H new ATOM 0 HH22 ARG A 77 2.873 12.609 6.204 1.00 7.82 H new ATOM 1265 N PRO A 78 5.967 7.266 0.368 1.00 5.32 N ATOM 1266 CA PRO A 78 6.937 7.832 -0.578 1.00 5.79 C ATOM 1267 C PRO A 78 7.500 9.190 -0.174 1.00 6.24 C ATOM 1268 O PRO A 78 7.635 10.094 -1.006 1.00 6.84 O ATOM 1269 CB PRO A 78 6.120 7.989 -1.840 1.00 6.56 C ATOM 1270 CG PRO A 78 4.744 8.277 -1.356 1.00 6.72 C ATOM 1271 CD PRO A 78 4.584 7.518 -0.068 1.00 5.88 C ATOM 0 HA PRO A 78 7.814 7.190 -0.656 1.00 5.79 H new ATOM 0 HB2 PRO A 78 6.500 8.800 -2.461 1.00 6.56 H new ATOM 0 HB3 PRO A 78 6.147 7.083 -2.446 1.00 6.56 H new ATOM 0 HG2 PRO A 78 4.603 9.346 -1.198 1.00 6.72 H new ATOM 0 HG3 PRO A 78 4.000 7.962 -2.088 1.00 6.72 H new ATOM 0 HD2 PRO A 78 4.031 8.098 0.671 1.00 5.88 H new ATOM 0 HD3 PRO A 78 4.036 6.588 -0.218 1.00 5.88 H new ATOM 1279 N ASP A 79 7.818 9.339 1.089 1.00 6.17 N ATOM 1280 CA ASP A 79 8.491 10.539 1.562 1.00 6.76 C ATOM 1281 C ASP A 79 9.965 10.481 1.200 1.00 6.75 C ATOM 1282 O ASP A 79 10.757 9.844 1.887 1.00 6.33 O ATOM 1283 CB ASP A 79 8.314 10.721 3.068 1.00 6.97 C ATOM 1284 CG ASP A 79 6.991 11.362 3.428 1.00 7.82 C ATOM 1285 OD1 ASP A 79 6.990 12.553 3.817 1.00 8.31 O ATOM 1286 OD2 ASP A 79 5.952 10.690 3.312 1.00 8.19 O ATOM 0 H ASP A 79 7.624 8.648 1.813 1.00 6.17 H new ATOM 0 HA ASP A 79 8.037 11.401 1.072 1.00 6.76 H new ATOM 0 HB2 ASP A 79 8.388 9.750 3.558 1.00 6.97 H new ATOM 0 HB3 ASP A 79 9.128 11.336 3.454 1.00 6.97 H new ATOM 1291 N LEU A 80 10.328 11.165 0.125 1.00 7.42 N ATOM 1292 CA LEU A 80 11.686 11.119 -0.405 1.00 7.70 C ATOM 1293 C LEU A 80 12.645 11.880 0.496 1.00 7.67 C ATOM 1294 O LEU A 80 13.863 11.823 0.332 1.00 7.65 O ATOM 1295 CB LEU A 80 11.726 11.708 -1.808 1.00 8.65 C ATOM 1296 CG LEU A 80 10.600 11.265 -2.751 1.00 9.25 C ATOM 1297 CD1 LEU A 80 10.712 11.983 -4.086 1.00 9.43 C ATOM 1298 CD2 LEU A 80 10.625 9.760 -2.958 1.00 9.75 C ATOM 0 H LEU A 80 9.695 11.765 -0.403 1.00 7.42 H new ATOM 0 HA LEU A 80 11.997 10.075 -0.444 1.00 7.70 H new ATOM 0 HB2 LEU A 80 11.699 12.795 -1.726 1.00 8.65 H new ATOM 0 HB3 LEU A 80 12.681 11.446 -2.264 1.00 8.65 H new ATOM 0 HG LEU A 80 9.649 11.530 -2.289 1.00 9.25 H new ATOM 0 HD11 LEU A 80 9.906 11.657 -4.743 1.00 9.43 H new ATOM 0 HD12 LEU A 80 10.639 13.059 -3.928 1.00 9.43 H new ATOM 0 HD13 LEU A 80 11.672 11.748 -4.546 1.00 9.43 H new ATOM 0 HD21 LEU A 80 9.817 9.472 -3.630 1.00 9.75 H new ATOM 0 HD22 LEU A 80 11.581 9.468 -3.393 1.00 9.75 H new ATOM 0 HD23 LEU A 80 10.495 9.259 -1.999 1.00 9.75 H new ATOM 1310 N LYS A 81 12.073 12.580 1.450 1.00 7.90 N ATOM 1311 CA LYS A 81 12.835 13.415 2.364 1.00 8.21 C ATOM 1312 C LYS A 81 13.383 12.609 3.540 1.00 7.50 C ATOM 1313 O LYS A 81 14.367 13.004 4.160 1.00 7.67 O ATOM 1314 CB LYS A 81 11.964 14.572 2.860 1.00 9.15 C ATOM 1315 CG LYS A 81 10.699 14.127 3.580 1.00 9.83 C ATOM 1316 CD LYS A 81 9.688 15.259 3.684 1.00 10.54 C ATOM 1317 CE LYS A 81 10.244 16.451 4.444 1.00 11.27 C ATOM 1318 NZ LYS A 81 9.318 17.612 4.399 1.00 11.75 N ATOM 0 H LYS A 81 11.067 12.589 1.618 1.00 7.90 H new ATOM 0 HA LYS A 81 13.690 13.818 1.822 1.00 8.21 H new ATOM 0 HB2 LYS A 81 12.553 15.195 3.533 1.00 9.15 H new ATOM 0 HB3 LYS A 81 11.686 15.195 2.010 1.00 9.15 H new ATOM 0 HG2 LYS A 81 10.253 13.287 3.048 1.00 9.83 H new ATOM 0 HG3 LYS A 81 10.953 13.772 4.579 1.00 9.83 H new ATOM 0 HD2 LYS A 81 9.392 15.573 2.683 1.00 10.54 H new ATOM 0 HD3 LYS A 81 8.789 14.898 4.184 1.00 10.54 H new ATOM 0 HE2 LYS A 81 10.424 16.169 5.481 1.00 11.27 H new ATOM 0 HE3 LYS A 81 11.206 16.737 4.019 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 9.731 18.406 4.928 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 9.166 17.897 3.410 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 8.408 17.347 4.827 1.00 11.75 H new ATOM 1332 N HIS A 82 12.756 11.478 3.847 1.00 6.91 N ATOM 1333 CA HIS A 82 13.232 10.640 4.939 1.00 6.47 C ATOM 1334 C HIS A 82 14.028 9.462 4.373 1.00 5.53 C ATOM 1335 O HIS A 82 13.561 8.761 3.474 1.00 5.01 O ATOM 1336 CB HIS A 82 12.068 10.178 5.844 1.00 6.67 C ATOM 1337 CG HIS A 82 11.337 8.942 5.404 1.00 7.18 C ATOM 1338 ND1 HIS A 82 10.453 8.909 4.349 1.00 7.40 N ATOM 1339 CD2 HIS A 82 11.350 7.690 5.914 1.00 7.76 C ATOM 1340 CE1 HIS A 82 9.954 7.695 4.234 1.00 8.08 C ATOM 1341 NE2 HIS A 82 10.480 6.933 5.171 1.00 8.33 N ATOM 0 H HIS A 82 11.930 11.126 3.363 1.00 6.91 H new ATOM 0 HA HIS A 82 13.897 11.226 5.573 1.00 6.47 H new ATOM 0 HB2 HIS A 82 12.461 10.005 6.846 1.00 6.67 H new ATOM 0 HB3 HIS A 82 11.348 10.993 5.920 1.00 6.67 H new ATOM 0 HD2 HIS A 82 11.938 7.348 6.753 1.00 7.76 H new ATOM 0 HE1 HIS A 82 9.234 7.377 3.495 1.00 8.08 H new ATOM 0 HE2 HIS A 82 10.275 5.945 5.319 1.00 8.33 H new ATOM 1350 N PRO A 83 15.253 9.248 4.871 1.00 5.57 N ATOM 1351 CA PRO A 83 16.163 8.250 4.307 1.00 4.95 C ATOM 1352 C PRO A 83 15.824 6.811 4.696 1.00 4.13 C ATOM 1353 O PRO A 83 15.863 6.445 5.870 1.00 4.33 O ATOM 1354 CB PRO A 83 17.516 8.655 4.895 1.00 5.64 C ATOM 1355 CG PRO A 83 17.186 9.298 6.198 1.00 6.46 C ATOM 1356 CD PRO A 83 15.851 9.969 6.011 1.00 6.50 C ATOM 0 HA PRO A 83 16.119 8.244 3.218 1.00 4.95 H new ATOM 0 HB2 PRO A 83 18.163 7.789 5.034 1.00 5.64 H new ATOM 0 HB3 PRO A 83 18.044 9.344 4.236 1.00 5.64 H new ATOM 0 HG2 PRO A 83 17.141 8.558 6.997 1.00 6.46 H new ATOM 0 HG3 PRO A 83 17.950 10.023 6.478 1.00 6.46 H new ATOM 0 HD2 PRO A 83 15.233 9.887 6.905 1.00 6.50 H new ATOM 0 HD3 PRO A 83 15.964 11.032 5.798 1.00 6.50 H new ATOM 1364 N LEU A 84 15.503 6.010 3.684 1.00 3.60 N ATOM 1365 CA LEU A 84 15.332 4.562 3.816 1.00 3.05 C ATOM 1366 C LEU A 84 15.676 3.926 2.474 1.00 2.76 C ATOM 1367 O LEU A 84 16.262 4.588 1.616 1.00 3.30 O ATOM 1368 CB LEU A 84 13.890 4.180 4.214 1.00 3.01 C ATOM 1369 CG LEU A 84 13.450 4.552 5.640 1.00 4.01 C ATOM 1370 CD1 LEU A 84 12.040 4.071 5.901 1.00 4.57 C ATOM 1371 CD2 LEU A 84 14.384 3.967 6.681 1.00 4.67 C ATOM 0 H LEU A 84 15.352 6.351 2.735 1.00 3.60 H new ATOM 0 HA LEU A 84 15.989 4.202 4.608 1.00 3.05 H new ATOM 0 HB2 LEU A 84 13.205 4.654 3.511 1.00 3.01 H new ATOM 0 HB3 LEU A 84 13.776 3.103 4.092 1.00 3.01 H new ATOM 0 HG LEU A 84 13.485 5.639 5.718 1.00 4.01 H new ATOM 0 HD11 LEU A 84 11.745 4.343 6.914 1.00 4.57 H new ATOM 0 HD12 LEU A 84 11.359 4.536 5.188 1.00 4.57 H new ATOM 0 HD13 LEU A 84 11.999 2.988 5.789 1.00 4.57 H new ATOM 0 HD21 LEU A 84 14.042 4.250 7.677 1.00 4.67 H new ATOM 0 HD22 LEU A 84 14.390 2.880 6.595 1.00 4.67 H new ATOM 0 HD23 LEU A 84 15.392 4.349 6.521 1.00 4.67 H new ATOM 1383 N CYS A 85 15.330 2.661 2.284 1.00 2.66 N ATOM 1384 CA CYS A 85 15.459 2.040 0.969 1.00 3.24 C ATOM 1385 C CYS A 85 14.548 2.759 -0.024 1.00 3.77 C ATOM 1386 O CYS A 85 13.574 3.404 0.366 1.00 4.31 O ATOM 1387 CB CYS A 85 15.142 0.538 1.028 1.00 3.79 C ATOM 1388 SG CYS A 85 15.279 -0.368 -0.554 1.00 4.64 S ATOM 0 H CYS A 85 14.962 2.049 3.012 1.00 2.66 H new ATOM 0 HA CYS A 85 16.492 2.135 0.634 1.00 3.24 H new ATOM 0 HB2 CYS A 85 15.813 0.073 1.750 1.00 3.79 H new ATOM 0 HB3 CYS A 85 14.128 0.415 1.409 1.00 3.79 H new ATOM 1393 N GLY A 86 14.860 2.630 -1.300 1.00 4.00 N ATOM 1394 CA GLY A 86 14.232 3.456 -2.318 1.00 4.75 C ATOM 1395 C GLY A 86 12.859 2.966 -2.724 1.00 4.42 C ATOM 1396 O GLY A 86 12.360 3.319 -3.789 1.00 5.13 O ATOM 0 H GLY A 86 15.543 1.962 -1.657 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.150 4.478 -1.947 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.874 3.486 -3.198 1.00 4.75 H new ATOM 1400 N LYS A 87 12.245 2.152 -1.886 1.00 3.51 N ATOM 1401 CA LYS A 87 10.943 1.589 -2.196 1.00 3.25 C ATOM 1402 C LYS A 87 9.888 2.054 -1.211 1.00 2.57 C ATOM 1403 O LYS A 87 9.872 1.648 -0.052 1.00 2.57 O ATOM 1404 CB LYS A 87 10.996 0.086 -2.172 1.00 3.54 C ATOM 1405 CG LYS A 87 11.201 -0.565 -3.542 1.00 4.49 C ATOM 1406 CD LYS A 87 12.399 -0.006 -4.304 1.00 5.19 C ATOM 1407 CE LYS A 87 13.724 -0.345 -3.638 1.00 6.18 C ATOM 1408 NZ LYS A 87 14.881 0.137 -4.437 1.00 6.95 N ATOM 0 H LYS A 87 12.627 1.865 -0.985 1.00 3.51 H new ATOM 0 HA LYS A 87 10.675 1.935 -3.194 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.805 -0.226 -1.511 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.069 -0.291 -1.740 1.00 3.54 H new ATOM 0 HG2 LYS A 87 11.332 -1.639 -3.410 1.00 4.49 H new ATOM 0 HG3 LYS A 87 10.301 -0.425 -4.141 1.00 4.49 H new ATOM 0 HD2 LYS A 87 12.395 -0.401 -5.320 1.00 5.19 H new ATOM 0 HD3 LYS A 87 12.302 1.077 -4.382 1.00 5.19 H new ATOM 0 HE2 LYS A 87 13.757 0.102 -2.644 1.00 6.18 H new ATOM 0 HE3 LYS A 87 13.798 -1.424 -3.505 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 15.766 -0.112 -3.951 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 14.864 -0.309 -5.376 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 14.823 1.170 -4.543 1.00 6.95 H new ATOM 1422 N ARG A 88 9.024 2.913 -1.693 1.00 2.48 N ATOM 1423 CA ARG A 88 7.981 3.516 -0.876 1.00 2.17 C ATOM 1424 C ARG A 88 6.817 4.023 -1.735 1.00 1.70 C ATOM 1425 O ARG A 88 7.031 4.899 -2.569 1.00 2.18 O ATOM 1426 CB ARG A 88 8.558 4.640 0.000 1.00 3.14 C ATOM 1427 CG ARG A 88 9.458 5.663 -0.704 1.00 3.80 C ATOM 1428 CD ARG A 88 10.867 5.133 -0.930 1.00 4.78 C ATOM 1429 NE ARG A 88 11.841 6.199 -1.172 1.00 5.43 N ATOM 1430 CZ ARG A 88 12.170 6.668 -2.378 1.00 6.34 C ATOM 1431 NH1 ARG A 88 11.559 6.219 -3.470 1.00 6.69 N ATOM 1432 NH2 ARG A 88 13.116 7.593 -2.484 1.00 7.15 N ATOM 0 H ARG A 88 9.018 3.220 -2.666 1.00 2.48 H new ATOM 0 HA ARG A 88 7.584 2.743 -0.218 1.00 2.17 H new ATOM 0 HB2 ARG A 88 7.727 5.176 0.459 1.00 3.14 H new ATOM 0 HB3 ARG A 88 9.128 4.183 0.809 1.00 3.14 H new ATOM 0 HG2 ARG A 88 9.016 5.934 -1.663 1.00 3.80 H new ATOM 0 HG3 ARG A 88 9.506 6.573 -0.107 1.00 3.80 H new ATOM 0 HD2 ARG A 88 11.177 4.554 -0.060 1.00 4.78 H new ATOM 0 HD3 ARG A 88 10.862 4.451 -1.781 1.00 4.78 H new ATOM 0 HE ARG A 88 12.301 6.613 -0.361 1.00 5.43 H new ATOM 0 HH11 ARG A 88 10.831 5.509 -3.392 1.00 6.69 H new ATOM 0 HH12 ARG A 88 11.818 6.584 -4.386 1.00 6.69 H new ATOM 0 HH21 ARG A 88 13.586 7.940 -1.648 1.00 7.15 H new ATOM 0 HH22 ARG A 88 13.373 7.957 -3.402 1.00 7.15 H new ATOM 1446 N TYR A 89 5.584 3.502 -1.549 1.00 1.34 N ATOM 1447 CA TYR A 89 4.458 3.929 -2.415 1.00 1.31 C ATOM 1448 C TYR A 89 3.121 3.819 -1.663 1.00 1.05 C ATOM 1449 O TYR A 89 2.601 2.724 -1.463 1.00 1.43 O ATOM 1450 CB TYR A 89 4.391 3.094 -3.698 1.00 2.13 C ATOM 1451 CG TYR A 89 5.729 2.762 -4.326 1.00 2.67 C ATOM 1452 CD1 TYR A 89 6.341 3.635 -5.214 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.380 1.571 -4.024 1.00 2.94 C ATOM 1454 CE1 TYR A 89 7.564 3.334 -5.781 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.601 1.262 -4.588 1.00 3.68 C ATOM 1456 CZ TYR A 89 8.189 2.148 -5.464 1.00 4.27 C ATOM 1457 OH TYR A 89 9.410 1.846 -6.024 1.00 5.18 O ATOM 0 H TYR A 89 5.346 2.812 -0.837 1.00 1.34 H new ATOM 0 HA TYR A 89 4.635 4.970 -2.686 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.870 2.162 -3.478 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.788 3.631 -4.430 1.00 2.13 H new ATOM 0 HD1 TYR A 89 5.853 4.565 -5.466 1.00 3.40 H new ATOM 0 HD2 TYR A 89 5.922 0.876 -3.336 1.00 2.94 H new ATOM 0 HE1 TYR A 89 8.028 4.025 -6.469 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.092 0.332 -4.344 1.00 3.68 H new ATOM 0 HH TYR A 89 9.714 0.974 -5.696 1.00 5.18 H new ATOM 1467 N GLU A 90 2.605 4.957 -1.204 1.00 0.79 N ATOM 1468 CA GLU A 90 1.469 5.010 -0.296 1.00 0.71 C ATOM 1469 C GLU A 90 0.158 5.074 -1.065 1.00 0.53 C ATOM 1470 O GLU A 90 0.024 5.858 -2.010 1.00 0.63 O ATOM 1471 CB GLU A 90 1.625 6.264 0.572 1.00 1.07 C ATOM 1472 CG GLU A 90 0.337 6.828 1.137 1.00 1.28 C ATOM 1473 CD GLU A 90 0.546 8.183 1.789 1.00 1.79 C ATOM 1474 OE1 GLU A 90 0.796 9.170 1.064 1.00 2.09 O ATOM 1475 OE2 GLU A 90 0.458 8.269 3.034 1.00 2.07 O ATOM 0 H GLU A 90 2.970 5.876 -1.456 1.00 0.79 H new ATOM 0 HA GLU A 90 1.447 4.110 0.319 1.00 0.71 H new ATOM 0 HB2 GLU A 90 2.294 6.031 1.400 1.00 1.07 H new ATOM 0 HB3 GLU A 90 2.111 7.038 -0.022 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -0.399 6.920 0.339 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -0.072 6.133 1.870 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.798 4.245 -0.672 1.00 0.50 N ATOM 1483 CA LEU A 91 -2.132 4.308 -1.244 1.00 0.43 C ATOM 1484 C LEU A 91 -3.158 4.406 -0.142 1.00 0.43 C ATOM 1485 O LEU A 91 -2.960 3.904 0.968 1.00 0.57 O ATOM 1486 CB LEU A 91 -2.487 3.089 -2.111 1.00 0.50 C ATOM 1487 CG LEU A 91 -1.571 2.811 -3.305 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -1.410 4.037 -4.161 1.00 1.82 C ATOM 1489 CD2 LEU A 91 -0.220 2.303 -2.865 1.00 1.02 C ATOM 0 H LEU A 91 -0.674 3.524 0.038 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.140 5.190 -1.884 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.492 2.206 -1.472 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -3.503 3.219 -2.483 1.00 0.50 H new ATOM 0 HG LEU A 91 -2.048 2.031 -3.899 1.00 0.93 H new ATOM 0 HD11 LEU A 91 -0.754 3.810 -5.002 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -2.385 4.350 -4.535 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.974 4.841 -3.567 1.00 1.82 H new ATOM 0 HD21 LEU A 91 0.402 2.117 -3.741 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.260 3.048 -2.231 1.00 1.02 H new ATOM 0 HD23 LEU A 91 -0.344 1.376 -2.305 1.00 1.02 H new ATOM 1501 N SER A 92 -4.252 5.053 -0.445 1.00 0.43 N ATOM 1502 CA SER A 92 -5.375 5.064 0.450 1.00 0.48 C ATOM 1503 C SER A 92 -6.647 4.890 -0.327 1.00 0.43 C ATOM 1504 O SER A 92 -6.872 5.542 -1.346 1.00 0.51 O ATOM 1505 CB SER A 92 -5.400 6.347 1.280 1.00 0.59 C ATOM 1506 OG SER A 92 -5.232 7.491 0.480 1.00 1.23 O ATOM 0 H SER A 92 -4.388 5.580 -1.308 1.00 0.43 H new ATOM 0 HA SER A 92 -5.280 4.231 1.146 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.347 6.414 1.816 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.611 6.310 2.031 1.00 0.59 H new ATOM 0 HG SER A 92 -4.335 7.485 0.084 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.464 3.984 0.143 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.704 3.708 -0.503 1.00 0.54 C ATOM 1514 C ALA A 93 -9.689 4.766 -0.119 1.00 0.62 C ATOM 1515 O ALA A 93 -10.212 4.780 0.987 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.180 2.339 -0.140 1.00 0.66 C ATOM 0 H ALA A 93 -7.284 3.425 0.977 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.582 3.725 -1.586 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.128 2.139 -0.639 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.442 1.602 -0.455 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.318 2.276 0.939 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.905 5.674 -1.020 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.592 6.902 -0.671 1.00 1.26 C ATOM 1524 C ARG A 94 -11.825 7.133 -1.465 1.00 0.70 C ATOM 1525 O ARG A 94 -12.007 6.631 -2.570 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.670 8.116 -0.809 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.443 8.075 0.081 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.663 9.380 0.007 1.00 4.38 C ATOM 1529 NE ARG A 94 -8.428 10.516 0.521 1.00 5.11 N ATOM 1530 CZ ARG A 94 -8.226 11.779 0.148 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -7.297 12.070 -0.755 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -8.952 12.751 0.685 1.00 6.80 N ATOM 0 H ARG A 94 -9.623 5.600 -1.997 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.888 6.780 0.371 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.348 8.196 -1.847 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.239 9.017 -0.581 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.745 7.887 1.111 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.801 7.247 -0.219 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -6.739 9.281 0.576 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -7.381 9.574 -1.028 1.00 4.38 H new ATOM 0 HE ARG A 94 -9.160 10.330 1.206 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -6.734 11.325 -1.166 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -7.146 13.038 -1.037 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -9.663 12.531 1.382 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -8.799 13.719 0.401 1.00 6.80 H new ATOM 1546 N MET A 95 -12.663 7.869 -0.779 1.00 0.84 N ATOM 1547 CA MET A 95 -13.928 8.397 -1.234 1.00 1.41 C ATOM 1548 C MET A 95 -14.195 8.210 -2.737 1.00 1.48 C ATOM 1549 O MET A 95 -15.137 7.513 -3.118 1.00 2.12 O ATOM 1550 CB MET A 95 -13.967 9.879 -0.866 1.00 2.09 C ATOM 1551 CG MET A 95 -13.450 10.161 0.547 1.00 2.32 C ATOM 1552 SD MET A 95 -13.482 11.916 0.967 1.00 3.26 S ATOM 1553 CE MET A 95 -12.300 12.568 -0.214 1.00 3.27 C ATOM 0 H MET A 95 -12.465 8.136 0.185 1.00 0.84 H new ATOM 0 HA MET A 95 -14.719 7.832 -0.741 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.370 10.441 -1.584 1.00 2.09 H new ATOM 0 HB3 MET A 95 -14.992 10.241 -0.951 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.054 9.609 1.267 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.429 9.789 0.636 1.00 2.32 H new ATOM 0 HE1 MET A 95 -11.954 13.546 0.120 1.00 3.27 H new ATOM 0 HE2 MET A 95 -11.451 11.889 -0.291 1.00 3.27 H new ATOM 0 HE3 MET A 95 -12.776 12.665 -1.190 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.377 8.836 -3.583 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.567 8.744 -5.031 1.00 1.45 C ATOM 1565 C ASP A 96 -12.782 7.572 -5.613 1.00 1.30 C ATOM 1566 O ASP A 96 -13.361 6.655 -6.195 1.00 1.97 O ATOM 1567 CB ASP A 96 -13.151 10.047 -5.720 1.00 1.76 C ATOM 1568 CG ASP A 96 -13.398 10.021 -7.217 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -14.578 10.084 -7.631 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -12.416 9.968 -7.988 1.00 2.86 O ATOM 0 H ASP A 96 -12.583 9.408 -3.294 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.628 8.575 -5.214 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.701 10.878 -5.279 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -12.093 10.230 -5.533 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.467 7.595 -5.445 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.616 6.523 -5.944 1.00 0.62 C ATOM 1577 C ALA A 97 -9.497 6.238 -4.969 1.00 0.60 C ATOM 1578 O ALA A 97 -9.361 6.888 -3.932 1.00 0.92 O ATOM 1579 CB ALA A 97 -10.019 6.864 -7.307 1.00 0.55 C ATOM 0 H ALA A 97 -10.966 8.344 -4.967 1.00 0.84 H new ATOM 0 HA ALA A 97 -11.244 5.639 -6.053 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -9.391 6.040 -7.645 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.822 7.027 -8.026 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.417 7.769 -7.224 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.698 5.261 -5.325 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.538 4.892 -4.564 1.00 0.34 C ATOM 1587 C ILE A 98 -6.437 5.914 -4.776 1.00 0.32 C ATOM 1588 O ILE A 98 -5.931 6.106 -5.887 1.00 0.35 O ATOM 1589 CB ILE A 98 -7.081 3.473 -4.941 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -8.124 2.485 -4.400 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.673 3.177 -4.389 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.766 1.919 -3.067 1.00 0.50 C ATOM 0 H ILE A 98 -8.840 4.696 -6.162 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.787 4.883 -3.503 1.00 0.34 H new ATOM 0 HB ILE A 98 -7.010 3.374 -6.024 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -9.088 2.989 -4.326 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -8.245 1.669 -5.113 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.377 2.167 -4.671 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.962 3.893 -4.802 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.683 3.262 -3.302 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.545 1.229 -2.744 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.818 1.387 -3.141 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.673 2.727 -2.342 1.00 0.50 H new ATOM 1604 N TYR A 99 -6.123 6.585 -3.691 1.00 0.40 N ATOM 1605 CA TYR A 99 -5.128 7.640 -3.664 1.00 0.53 C ATOM 1606 C TYR A 99 -3.765 7.047 -3.949 1.00 0.63 C ATOM 1607 O TYR A 99 -3.294 6.190 -3.213 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.217 8.320 -2.287 1.00 0.79 C ATOM 1609 CG TYR A 99 -3.997 9.056 -1.759 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -2.859 8.372 -1.348 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.022 10.433 -1.592 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -1.787 9.036 -0.796 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -2.945 11.105 -1.048 1.00 2.26 C ATOM 1614 CZ TYR A 99 -1.831 10.399 -0.648 1.00 2.77 C ATOM 1615 OH TYR A 99 -0.755 11.056 -0.092 1.00 3.67 O ATOM 0 H TYR A 99 -6.558 6.412 -2.785 1.00 0.40 H new ATOM 0 HA TYR A 99 -5.303 8.395 -4.431 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -6.043 9.030 -2.321 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -5.484 7.556 -1.557 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -2.815 7.299 -1.464 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -4.898 10.989 -1.892 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -0.913 8.485 -0.480 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -2.976 12.179 -0.937 1.00 2.26 H new ATOM 0 HH TYR A 99 -0.121 10.400 0.267 1.00 3.67 H new ATOM 1625 N PHE A 100 -3.163 7.471 -5.044 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.879 6.944 -5.454 1.00 0.91 C ATOM 1627 C PHE A 100 -0.827 8.024 -5.324 1.00 1.25 C ATOM 1628 O PHE A 100 -1.000 9.134 -5.834 1.00 1.90 O ATOM 1629 CB PHE A 100 -1.961 6.436 -6.899 1.00 1.20 C ATOM 1630 CG PHE A 100 -0.741 5.695 -7.380 1.00 1.73 C ATOM 1631 CD1 PHE A 100 0.359 6.386 -7.863 1.00 2.22 C ATOM 1632 CD2 PHE A 100 -0.689 4.312 -7.341 1.00 2.19 C ATOM 1633 CE1 PHE A 100 1.484 5.714 -8.298 1.00 2.83 C ATOM 1634 CE2 PHE A 100 0.431 3.635 -7.775 1.00 2.91 C ATOM 1635 CZ PHE A 100 1.500 4.318 -8.279 1.00 3.12 C ATOM 0 H PHE A 100 -3.546 8.182 -5.667 1.00 0.72 H new ATOM 0 HA PHE A 100 -1.604 6.107 -4.812 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -2.826 5.779 -6.990 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -2.136 7.286 -7.558 1.00 1.20 H new ATOM 0 HD1 PHE A 100 0.336 7.465 -7.900 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -1.536 3.757 -6.966 1.00 2.19 H new ATOM 0 HE1 PHE A 100 2.344 6.264 -8.650 1.00 2.83 H new ATOM 0 HE2 PHE A 100 0.463 2.557 -7.716 1.00 2.91 H new ATOM 0 HZ PHE A 100 2.355 3.781 -8.662 1.00 3.12 H new ATOM 1645 N LYS A 101 0.252 7.720 -4.628 1.00 1.07 N ATOM 1646 CA LYS A 101 1.272 8.715 -4.404 1.00 1.43 C ATOM 1647 C LYS A 101 2.681 8.164 -4.521 1.00 1.37 C ATOM 1648 O LYS A 101 3.096 7.259 -3.793 1.00 1.55 O ATOM 1649 CB LYS A 101 1.064 9.382 -3.051 1.00 2.06 C ATOM 1650 CG LYS A 101 2.202 10.290 -2.613 1.00 2.92 C ATOM 1651 CD LYS A 101 2.297 11.545 -3.464 1.00 3.76 C ATOM 1652 CE LYS A 101 3.490 12.394 -3.060 1.00 4.58 C ATOM 1653 NZ LYS A 101 3.452 12.762 -1.618 1.00 5.15 N ATOM 0 H LYS A 101 0.440 6.806 -4.216 1.00 1.07 H new ATOM 0 HA LYS A 101 1.170 9.457 -5.196 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.144 9.965 -3.085 1.00 2.06 H new ATOM 0 HB3 LYS A 101 0.923 8.608 -2.297 1.00 2.06 H new ATOM 0 HG2 LYS A 101 2.059 10.571 -1.570 1.00 2.92 H new ATOM 0 HG3 LYS A 101 3.143 9.743 -2.670 1.00 2.92 H new ATOM 0 HD2 LYS A 101 2.383 11.269 -4.515 1.00 3.76 H new ATOM 0 HD3 LYS A 101 1.381 12.127 -3.361 1.00 3.76 H new ATOM 0 HE2 LYS A 101 4.410 11.849 -3.271 1.00 4.58 H new ATOM 0 HE3 LYS A 101 3.511 13.301 -3.665 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 4.149 13.511 -1.432 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 2.502 13.105 -1.372 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 3.679 11.927 -1.041 1.00 5.15 H new ATOM 1667 N MET A 102 3.369 8.732 -5.483 1.00 1.76 N ATOM 1668 CA MET A 102 4.816 8.667 -5.610 1.00 2.21 C ATOM 1669 C MET A 102 5.187 9.704 -6.658 1.00 2.42 C ATOM 1670 O MET A 102 5.479 9.400 -7.813 1.00 2.62 O ATOM 1671 CB MET A 102 5.295 7.258 -6.022 1.00 2.82 C ATOM 1672 CG MET A 102 4.703 6.748 -7.333 1.00 3.61 C ATOM 1673 SD MET A 102 5.537 5.273 -7.954 1.00 4.57 S ATOM 1674 CE MET A 102 4.828 5.144 -9.595 1.00 5.14 C ATOM 0 H MET A 102 2.927 9.272 -6.227 1.00 1.76 H new ATOM 0 HA MET A 102 5.301 8.871 -4.655 1.00 2.21 H new ATOM 0 HB2 MET A 102 6.382 7.268 -6.108 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.044 6.556 -5.227 1.00 2.82 H new ATOM 0 HG2 MET A 102 3.646 6.527 -7.187 1.00 3.61 H new ATOM 0 HG3 MET A 102 4.763 7.536 -8.084 1.00 3.61 H new ATOM 0 HE1 MET A 102 4.250 4.223 -9.670 1.00 5.14 H new ATOM 0 HE2 MET A 102 4.176 5.998 -9.778 1.00 5.14 H new ATOM 0 HE3 MET A 102 5.627 5.133 -10.337 1.00 5.14 H new ATOM 1684 N ASP A 103 5.195 10.944 -6.222 1.00 2.92 N ATOM 1685 CA ASP A 103 5.197 12.061 -7.145 1.00 3.46 C ATOM 1686 C ASP A 103 6.305 13.053 -6.861 1.00 3.62 C ATOM 1687 O ASP A 103 7.111 12.879 -5.945 1.00 3.77 O ATOM 1688 CB ASP A 103 3.843 12.774 -7.103 1.00 4.39 C ATOM 1689 CG ASP A 103 2.699 11.908 -7.598 1.00 5.03 C ATOM 1690 OD1 ASP A 103 2.272 12.093 -8.757 1.00 5.64 O ATOM 1691 OD2 ASP A 103 2.217 11.047 -6.831 1.00 5.25 O ATOM 0 H ASP A 103 5.200 11.206 -5.236 1.00 2.92 H new ATOM 0 HA ASP A 103 5.377 11.652 -8.139 1.00 3.46 H new ATOM 0 HB2 ASP A 103 3.636 13.089 -6.080 1.00 4.39 H new ATOM 0 HB3 ASP A 103 3.896 13.678 -7.710 1.00 4.39 H new ATOM 1696 N GLU A 104 6.323 14.090 -7.673 1.00 4.02 N ATOM 1697 CA GLU A 104 7.105 15.282 -7.413 1.00 4.43 C ATOM 1698 C GLU A 104 6.200 16.330 -6.766 1.00 4.28 C ATOM 1699 O GLU A 104 6.650 17.222 -6.043 1.00 4.73 O ATOM 1700 CB GLU A 104 7.662 15.812 -8.730 1.00 4.95 C ATOM 1701 CG GLU A 104 8.376 17.149 -8.623 1.00 5.34 C ATOM 1702 CD GLU A 104 8.448 17.873 -9.952 1.00 6.03 C ATOM 1703 OE1 GLU A 104 9.200 17.423 -10.844 1.00 6.26 O ATOM 1704 OE2 GLU A 104 7.751 18.896 -10.113 1.00 6.61 O ATOM 0 H GLU A 104 5.789 14.130 -8.541 1.00 4.02 H new ATOM 0 HA GLU A 104 7.934 15.054 -6.743 1.00 4.43 H new ATOM 0 HB2 GLU A 104 8.355 15.077 -9.138 1.00 4.95 H new ATOM 0 HB3 GLU A 104 6.843 15.908 -9.443 1.00 4.95 H new ATOM 0 HG2 GLU A 104 7.859 17.777 -7.898 1.00 5.34 H new ATOM 0 HG3 GLU A 104 9.385 16.989 -8.244 1.00 5.34 H new ATOM 1711 N ARG A 105 4.904 16.173 -7.019 1.00 3.93 N ATOM 1712 CA ARG A 105 3.895 17.160 -6.658 1.00 3.96 C ATOM 1713 C ARG A 105 2.768 16.480 -5.857 1.00 3.41 C ATOM 1714 O ARG A 105 2.939 15.331 -5.443 1.00 3.35 O ATOM 1715 CB ARG A 105 3.376 17.791 -7.957 1.00 4.49 C ATOM 1716 CG ARG A 105 4.494 18.268 -8.865 1.00 4.98 C ATOM 1717 CD ARG A 105 3.975 18.711 -10.215 1.00 5.81 C ATOM 1718 NE ARG A 105 5.068 19.001 -11.139 1.00 6.29 N ATOM 1719 CZ ARG A 105 4.940 19.002 -12.460 1.00 7.10 C ATOM 1720 NH1 ARG A 105 3.769 18.724 -13.022 1.00 7.50 N ATOM 1721 NH2 ARG A 105 5.985 19.281 -13.222 1.00 7.74 N ATOM 0 H ARG A 105 4.523 15.349 -7.484 1.00 3.93 H new ATOM 0 HA ARG A 105 4.312 17.942 -6.023 1.00 3.96 H new ATOM 0 HB2 ARG A 105 2.766 17.063 -8.491 1.00 4.49 H new ATOM 0 HB3 ARG A 105 2.728 18.633 -7.713 1.00 4.49 H new ATOM 0 HG2 ARG A 105 5.020 19.096 -8.389 1.00 4.98 H new ATOM 0 HG3 ARG A 105 5.219 17.465 -9.000 1.00 4.98 H new ATOM 0 HD2 ARG A 105 3.339 17.932 -10.635 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.354 19.599 -10.094 1.00 5.81 H new ATOM 0 HE ARG A 105 5.984 19.216 -10.746 1.00 6.29 H new ATOM 0 HH11 ARG A 105 2.961 18.508 -12.438 1.00 7.50 H new ATOM 0 HH12 ARG A 105 3.677 18.727 -14.038 1.00 7.50 H new ATOM 0 HH21 ARG A 105 6.886 19.495 -12.794 1.00 7.74 H new ATOM 0 HH22 ARG A 105 5.890 19.283 -14.238 1.00 7.74 H new ATOM 1735 N PRO A 106 1.625 17.160 -5.573 1.00 3.33 N ATOM 1736 CA PRO A 106 0.490 16.535 -4.869 1.00 3.10 C ATOM 1737 C PRO A 106 0.035 15.205 -5.492 1.00 2.43 C ATOM 1738 O PRO A 106 0.126 15.002 -6.707 1.00 2.29 O ATOM 1739 CB PRO A 106 -0.611 17.590 -4.987 1.00 3.53 C ATOM 1740 CG PRO A 106 0.126 18.876 -5.042 1.00 4.00 C ATOM 1741 CD PRO A 106 1.350 18.590 -5.859 1.00 3.83 C ATOM 0 HA PRO A 106 0.753 16.270 -3.845 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -1.215 17.438 -5.882 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -1.290 17.555 -4.135 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -0.480 19.658 -5.500 1.00 4.00 H new ATOM 0 HG3 PRO A 106 0.391 19.222 -4.043 1.00 4.00 H new ATOM 0 HD2 PRO A 106 1.174 18.761 -6.921 1.00 3.83 H new ATOM 0 HD3 PRO A 106 2.186 19.226 -5.568 1.00 3.83 H new ATOM 1749 N PRO A 107 -0.468 14.292 -4.638 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.903 12.935 -5.031 1.00 1.85 C ATOM 1751 C PRO A 107 -2.068 12.936 -6.017 1.00 1.51 C ATOM 1752 O PRO A 107 -2.763 13.944 -6.176 1.00 1.80 O ATOM 1753 CB PRO A 107 -1.359 12.313 -3.706 1.00 2.23 C ATOM 1754 CG PRO A 107 -1.650 13.474 -2.821 1.00 2.91 C ATOM 1755 CD PRO A 107 -0.658 14.525 -3.199 1.00 2.93 C ATOM 0 HA PRO A 107 -0.101 12.398 -5.538 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.243 11.690 -3.845 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -0.584 11.676 -3.281 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -2.671 13.829 -2.963 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -1.551 13.201 -1.770 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -1.035 15.528 -2.998 1.00 2.93 H new ATOM 0 HD3 PRO A 107 0.275 14.418 -2.645 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.294 11.797 -6.662 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.382 11.671 -7.621 1.00 0.94 C ATOM 1765 C GLN A 108 -4.137 10.363 -7.432 1.00 0.70 C ATOM 1766 O GLN A 108 -3.538 9.296 -7.311 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.859 11.727 -9.057 1.00 1.18 C ATOM 1768 CG GLN A 108 -2.042 12.970 -9.371 1.00 1.72 C ATOM 1769 CD GLN A 108 -1.506 12.978 -10.788 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -1.265 11.925 -11.381 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -1.295 14.164 -11.335 1.00 2.71 N ATOM 0 H GLN A 108 -1.739 10.950 -6.538 1.00 1.09 H new ATOM 0 HA GLN A 108 -4.057 12.508 -7.443 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -2.246 10.845 -9.244 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -3.705 11.678 -9.743 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -2.660 13.854 -9.216 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.209 13.038 -8.672 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -1.508 15.013 -10.811 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -0.920 14.230 -12.281 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.470 10.442 -7.361 1.00 0.68 N ATOM 1781 CA PRO A 109 -6.346 9.269 -7.461 1.00 0.55 C ATOM 1782 C PRO A 109 -6.085 8.509 -8.760 1.00 0.56 C ATOM 1783 O PRO A 109 -6.510 8.940 -9.832 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.739 9.891 -7.484 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.586 11.181 -6.764 1.00 0.82 C ATOM 1786 CD PRO A 109 -6.231 11.686 -7.153 1.00 0.91 C ATOM 0 HA PRO A 109 -6.199 8.551 -6.654 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -8.087 10.046 -8.505 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.469 9.247 -6.993 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.366 11.887 -7.049 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.660 11.042 -5.685 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -6.269 12.293 -8.057 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.790 12.305 -6.372 1.00 0.91 H new ATOM 1794 N LEU A 110 -5.380 7.390 -8.672 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.898 6.711 -9.871 1.00 0.61 C ATOM 1796 C LEU A 110 -5.311 5.244 -9.903 1.00 0.51 C ATOM 1797 O LEU A 110 -4.954 4.503 -10.820 1.00 0.62 O ATOM 1798 CB LEU A 110 -3.379 6.814 -9.930 1.00 0.83 C ATOM 1799 CG LEU A 110 -2.734 6.414 -11.258 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -3.118 7.392 -12.356 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.225 6.340 -11.110 1.00 1.61 C ATOM 0 H LEU A 110 -5.130 6.935 -7.794 1.00 0.49 H new ATOM 0 HA LEU A 110 -5.348 7.199 -10.736 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -3.095 7.842 -9.705 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.961 6.188 -9.142 1.00 0.83 H new ATOM 0 HG LEU A 110 -3.102 5.427 -11.538 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -2.649 7.090 -13.293 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -4.201 7.396 -12.477 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -2.779 8.393 -12.087 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.780 6.054 -12.063 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -0.841 7.314 -10.807 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.970 5.598 -10.353 1.00 1.61 H new ATOM 1813 N ASN A 111 -6.063 4.826 -8.910 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.524 3.453 -8.820 1.00 0.48 C ATOM 1815 C ASN A 111 -7.897 3.516 -8.236 1.00 0.42 C ATOM 1816 O ASN A 111 -8.296 4.573 -7.779 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.592 2.592 -7.941 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.388 2.067 -8.696 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -4.444 1.007 -9.322 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -3.284 2.793 -8.633 1.00 1.75 N ATOM 0 H ASN A 111 -6.373 5.423 -8.143 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.526 2.982 -9.803 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -5.252 3.185 -7.092 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -6.156 1.751 -7.537 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -2.440 2.480 -9.113 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -3.277 3.665 -8.105 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.640 2.445 -8.247 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.929 2.493 -7.610 1.00 0.60 C ATOM 1829 C LYS A 112 -10.213 1.211 -6.885 1.00 0.72 C ATOM 1830 O LYS A 112 -9.782 0.128 -7.280 1.00 0.84 O ATOM 1831 CB LYS A 112 -11.048 2.762 -8.593 1.00 0.72 C ATOM 1832 CG LYS A 112 -12.314 3.293 -7.937 1.00 1.33 C ATOM 1833 CD LYS A 112 -13.495 3.273 -8.890 1.00 1.68 C ATOM 1834 CE LYS A 112 -14.009 1.860 -9.113 1.00 2.31 C ATOM 1835 NZ LYS A 112 -15.187 1.840 -10.016 1.00 2.93 N ATOM 0 H LYS A 112 -8.388 1.554 -8.675 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.891 3.320 -6.901 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -10.704 3.481 -9.336 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -11.283 1.841 -9.126 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -12.547 2.693 -7.058 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -12.144 4.312 -7.591 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -14.297 3.894 -8.490 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -13.201 3.709 -9.845 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -13.214 1.247 -9.538 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -14.277 1.415 -8.155 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -15.489 0.857 -10.171 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -15.966 2.377 -9.583 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -14.933 2.272 -10.927 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.955 1.365 -5.835 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.372 0.273 -5.005 1.00 0.97 C ATOM 1851 C TRP A 113 -12.615 -0.372 -5.611 1.00 1.02 C ATOM 1852 O TRP A 113 -13.530 0.325 -6.047 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.626 0.796 -3.589 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.370 2.103 -3.579 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.827 3.354 -3.635 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.790 2.288 -3.528 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.820 4.299 -3.645 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -14.033 3.673 -3.575 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.879 1.419 -3.451 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.319 4.206 -3.552 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -16.155 1.946 -3.427 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.367 3.330 -3.479 1.00 2.20 C ATOM 0 H TRP A 113 -11.297 2.273 -5.521 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.597 -0.492 -4.948 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.195 0.054 -3.029 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.673 0.921 -3.076 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.769 3.568 -3.667 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.677 5.308 -3.696 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.726 0.351 -3.411 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.483 5.273 -3.590 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -17.004 1.281 -3.367 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.377 3.712 -3.461 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.604 -1.702 -5.653 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.638 -2.526 -6.301 1.00 1.50 C ATOM 1875 C ARG A 114 -13.934 -2.089 -7.734 1.00 1.82 C ATOM 1876 O ARG A 114 -13.236 -1.260 -8.315 1.00 2.41 O ATOM 1877 CB ARG A 114 -14.940 -2.600 -5.486 1.00 1.80 C ATOM 1878 CG ARG A 114 -15.801 -1.345 -5.505 1.00 2.76 C ATOM 1879 CD ARG A 114 -17.265 -1.671 -5.259 1.00 3.56 C ATOM 1880 NE ARG A 114 -17.880 -2.290 -6.433 1.00 4.38 N ATOM 1881 CZ ARG A 114 -18.719 -3.325 -6.396 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -19.030 -3.906 -5.243 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -19.239 -3.778 -7.528 1.00 6.29 N ATOM 0 H ARG A 114 -11.860 -2.256 -5.229 1.00 1.34 H new ATOM 0 HA ARG A 114 -13.213 -3.529 -6.341 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -15.535 -3.433 -5.861 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -14.687 -2.830 -4.451 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -15.449 -0.649 -4.743 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -15.695 -0.844 -6.467 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -17.351 -2.343 -4.405 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -17.804 -0.759 -5.003 1.00 3.56 H new ATOM 0 HE ARG A 114 -17.650 -1.901 -7.347 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -18.626 -3.561 -4.373 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -19.673 -4.697 -5.228 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -18.996 -3.335 -8.414 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -19.882 -4.569 -7.513 1.00 6.29 H new ATOM 1897 N SER A 115 -14.961 -2.689 -8.301 1.00 2.02 N ATOM 1898 CA SER A 115 -15.352 -2.413 -9.666 1.00 2.76 C ATOM 1899 C SER A 115 -16.626 -1.580 -9.671 1.00 3.19 C ATOM 1900 O SER A 115 -16.563 -0.398 -10.057 1.00 3.60 O ATOM 1901 CB SER A 115 -15.550 -3.717 -10.430 1.00 3.33 C ATOM 1902 OG SER A 115 -15.683 -3.496 -11.826 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.681 -2.097 -9.245 1.00 3.62 O ATOM 0 H SER A 115 -15.545 -3.379 -7.829 1.00 2.02 H new ATOM 0 HA SER A 115 -14.563 -1.848 -10.163 1.00 2.76 H new ATOM 0 HB2 SER A 115 -14.703 -4.378 -10.246 1.00 3.33 H new ATOM 0 HB3 SER A 115 -16.439 -4.226 -10.056 1.00 3.33 H new ATOM 0 HG SER A 115 -15.807 -4.354 -12.283 1.00 4.01 H new TER 1909 SER A 115