USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 724 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00961) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.02 K(o=-1,f=-1.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 16 THR OG1 : rot -140:sc= -1.03 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.165) USER MOD Single : A 28 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.1) USER MOD Single : A 30 SER OG : rot 180:sc= -0.513 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 34 HIS : no HD1:sc= -2.77 K(o=-2.8,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.46 K(o=-2.5,f=-9.6!) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.952 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.192) USER MOD Single : A 44 SER OG : rot 81:sc= 0.131 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -70:sc= -1.96 USER MOD Single : A 51 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-5.3!) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0111) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.866 4.233 28.455 1.00 27.33 N ATOM 2 CA MET A 1 8.524 3.785 28.924 1.00 27.70 C ATOM 3 C MET A 1 8.163 2.460 28.247 1.00 26.87 C ATOM 4 O MET A 1 7.451 2.430 27.262 1.00 26.64 O ATOM 5 CB MET A 1 7.479 4.845 28.563 1.00 28.36 C ATOM 6 CG MET A 1 6.273 4.711 29.495 1.00 29.51 C ATOM 7 SD MET A 1 5.451 6.316 29.653 1.00 30.68 S ATOM 8 CE MET A 1 4.520 6.246 28.103 1.00 30.44 C ATOM 0 H1 MET A 1 10.112 5.133 28.915 1.00 27.33 H new ATOM 0 H2 MET A 1 10.577 3.514 28.699 1.00 27.33 H new ATOM 0 H3 MET A 1 9.847 4.365 27.424 1.00 27.33 H new ATOM 0 HA MET A 1 8.543 3.646 30.005 1.00 27.70 H new ATOM 0 HB2 MET A 1 7.911 5.842 28.651 1.00 28.36 H new ATOM 0 HB3 MET A 1 7.166 4.724 27.526 1.00 28.36 H new ATOM 0 HG2 MET A 1 5.576 3.971 29.101 1.00 29.51 H new ATOM 0 HG3 MET A 1 6.594 4.357 30.475 1.00 29.51 H new ATOM 0 HE1 MET A 1 3.929 7.155 27.992 1.00 30.44 H new ATOM 0 HE2 MET A 1 5.213 6.159 27.266 1.00 30.44 H new ATOM 0 HE3 MET A 1 3.857 5.381 28.116 1.00 30.44 H new ATOM 20 N SER A 2 8.652 1.365 28.773 1.00 26.60 N ATOM 21 CA SER A 2 8.345 0.035 28.170 1.00 26.03 C ATOM 22 C SER A 2 8.968 -1.068 29.028 1.00 25.87 C ATOM 23 O SER A 2 8.354 -2.085 29.287 1.00 26.53 O ATOM 24 CB SER A 2 8.923 -0.029 26.757 1.00 25.23 C ATOM 25 OG SER A 2 8.113 -0.881 25.957 1.00 25.68 O ATOM 0 H SER A 2 9.253 1.337 29.597 1.00 26.60 H new ATOM 0 HA SER A 2 7.265 -0.105 28.126 1.00 26.03 H new ATOM 0 HB2 SER A 2 8.961 0.970 26.322 1.00 25.23 H new ATOM 0 HB3 SER A 2 9.946 -0.403 26.787 1.00 25.23 H new ATOM 0 HG SER A 2 8.480 -0.923 25.049 1.00 25.68 H new ATOM 31 N LYS A 3 10.186 -0.871 29.470 1.00 25.17 N ATOM 32 CA LYS A 3 10.864 -1.899 30.317 1.00 25.23 C ATOM 33 C LYS A 3 10.983 -3.213 29.539 1.00 24.31 C ATOM 34 O LYS A 3 10.439 -3.357 28.461 1.00 23.73 O ATOM 35 CB LYS A 3 10.051 -2.136 31.593 1.00 26.39 C ATOM 36 CG LYS A 3 10.996 -2.493 32.742 1.00 27.20 C ATOM 37 CD LYS A 3 10.425 -1.959 34.057 1.00 28.45 C ATOM 38 CE LYS A 3 9.481 -3.000 34.664 1.00 29.43 C ATOM 39 NZ LYS A 3 8.082 -2.705 34.245 1.00 29.90 N ATOM 0 H LYS A 3 10.742 -0.037 29.279 1.00 25.17 H new ATOM 0 HA LYS A 3 11.859 -1.542 30.582 1.00 25.23 H new ATOM 0 HB2 LYS A 3 9.479 -1.243 31.843 1.00 26.39 H new ATOM 0 HB3 LYS A 3 9.333 -2.941 31.435 1.00 26.39 H new ATOM 0 HG2 LYS A 3 11.122 -3.574 32.800 1.00 27.20 H new ATOM 0 HG3 LYS A 3 11.983 -2.066 32.562 1.00 27.20 H new ATOM 0 HD2 LYS A 3 11.234 -1.736 34.753 1.00 28.45 H new ATOM 0 HD3 LYS A 3 9.890 -1.026 33.881 1.00 28.45 H new ATOM 0 HE2 LYS A 3 9.767 -4.000 34.338 1.00 29.43 H new ATOM 0 HE3 LYS A 3 9.557 -2.986 35.751 1.00 29.43 H new ATOM 0 HZ1 LYS A 3 7.434 -3.381 34.698 1.00 29.90 H new ATOM 0 HZ2 LYS A 3 7.830 -1.738 34.533 1.00 29.90 H new ATOM 0 HZ3 LYS A 3 8.004 -2.790 33.211 1.00 29.90 H new ATOM 53 N ARG A 4 11.694 -4.172 30.081 1.00 24.38 N ATOM 54 CA ARG A 4 11.859 -5.485 29.386 1.00 23.77 C ATOM 55 C ARG A 4 12.534 -5.269 28.028 1.00 22.09 C ATOM 56 O ARG A 4 11.886 -4.958 27.048 1.00 21.46 O ATOM 57 CB ARG A 4 10.483 -6.133 29.178 1.00 24.39 C ATOM 58 CG ARG A 4 10.252 -7.209 30.245 1.00 25.81 C ATOM 59 CD ARG A 4 9.370 -8.326 29.676 1.00 26.38 C ATOM 60 NE ARG A 4 9.997 -9.665 29.954 1.00 27.05 N ATOM 61 CZ ARG A 4 11.243 -9.942 29.625 1.00 26.61 C ATOM 62 NH1 ARG A 4 11.945 -9.140 28.863 1.00 25.52 N ATOM 63 NH2 ARG A 4 11.769 -11.071 30.018 1.00 27.45 N ATOM 0 H ARG A 4 12.170 -4.100 30.980 1.00 24.38 H new ATOM 0 HA ARG A 4 12.480 -6.140 29.997 1.00 23.77 H new ATOM 0 HB2 ARG A 4 9.701 -5.376 29.236 1.00 24.39 H new ATOM 0 HB3 ARG A 4 10.425 -6.575 28.183 1.00 24.39 H new ATOM 0 HG2 ARG A 4 11.207 -7.619 30.573 1.00 25.81 H new ATOM 0 HG3 ARG A 4 9.776 -6.769 31.121 1.00 25.81 H new ATOM 0 HD2 ARG A 4 8.377 -8.280 30.122 1.00 26.38 H new ATOM 0 HD3 ARG A 4 9.243 -8.190 28.602 1.00 26.38 H new ATOM 0 HE ARG A 4 9.438 -10.384 30.413 1.00 27.05 H new ATOM 0 HH11 ARG A 4 11.529 -8.278 28.510 1.00 25.52 H new ATOM 0 HH12 ARG A 4 12.908 -9.377 28.623 1.00 25.52 H new ATOM 0 HH21 ARG A 4 11.217 -11.725 30.572 1.00 27.45 H new ATOM 0 HH22 ARG A 4 12.732 -11.298 29.771 1.00 27.45 H new ATOM 77 N LYS A 5 13.833 -5.436 27.968 1.00 21.54 N ATOM 78 CA LYS A 5 14.570 -5.247 26.678 1.00 20.07 C ATOM 79 C LYS A 5 14.456 -3.788 26.229 1.00 18.67 C ATOM 80 O LYS A 5 13.374 -3.277 26.009 1.00 18.71 O ATOM 81 CB LYS A 5 13.979 -6.161 25.599 1.00 20.07 C ATOM 82 CG LYS A 5 15.052 -6.488 24.559 1.00 19.81 C ATOM 83 CD LYS A 5 14.767 -7.859 23.944 1.00 20.65 C ATOM 84 CE LYS A 5 13.690 -7.721 22.865 1.00 20.65 C ATOM 85 NZ LYS A 5 13.779 -8.873 21.925 1.00 21.10 N ATOM 0 H LYS A 5 14.418 -5.697 28.762 1.00 21.54 H new ATOM 0 HA LYS A 5 15.619 -5.501 26.828 1.00 20.07 H new ATOM 0 HB2 LYS A 5 13.605 -7.079 26.051 1.00 20.07 H new ATOM 0 HB3 LYS A 5 13.130 -5.673 25.120 1.00 20.07 H new ATOM 0 HG2 LYS A 5 15.064 -5.724 23.781 1.00 19.81 H new ATOM 0 HG3 LYS A 5 16.038 -6.484 25.025 1.00 19.81 H new ATOM 0 HD2 LYS A 5 15.679 -8.272 23.512 1.00 20.65 H new ATOM 0 HD3 LYS A 5 14.436 -8.554 24.716 1.00 20.65 H new ATOM 0 HE2 LYS A 5 12.702 -7.688 23.324 1.00 20.65 H new ATOM 0 HE3 LYS A 5 13.821 -6.784 22.323 1.00 20.65 H new ATOM 0 HZ1 LYS A 5 13.048 -8.780 21.192 1.00 21.10 H new ATOM 0 HZ2 LYS A 5 14.718 -8.885 21.478 1.00 21.10 H new ATOM 0 HZ3 LYS A 5 13.634 -9.760 22.448 1.00 21.10 H new ATOM 99 N ALA A 6 15.570 -3.114 26.092 1.00 17.68 N ATOM 100 CA ALA A 6 15.541 -1.686 25.658 1.00 16.53 C ATOM 101 C ALA A 6 14.921 -1.588 24.252 1.00 15.22 C ATOM 102 O ALA A 6 14.904 -2.566 23.530 1.00 14.98 O ATOM 103 CB ALA A 6 16.967 -1.135 25.626 1.00 16.03 C ATOM 0 H ALA A 6 16.501 -3.494 26.263 1.00 17.68 H new ATOM 0 HA ALA A 6 14.942 -1.105 26.359 1.00 16.53 H new ATOM 0 HB1 ALA A 6 16.947 -0.092 25.309 1.00 16.03 H new ATOM 0 HB2 ALA A 6 17.406 -1.204 26.621 1.00 16.03 H new ATOM 0 HB3 ALA A 6 17.566 -1.716 24.925 1.00 16.03 H new ATOM 109 N PRO A 7 14.425 -0.416 23.892 1.00 14.66 N ATOM 110 CA PRO A 7 13.809 -0.217 22.566 1.00 13.61 C ATOM 111 C PRO A 7 14.831 -0.494 21.460 1.00 12.23 C ATOM 112 O PRO A 7 15.708 0.310 21.199 1.00 11.85 O ATOM 113 CB PRO A 7 13.371 1.256 22.546 1.00 13.66 C ATOM 114 CG PRO A 7 13.761 1.884 23.908 1.00 14.79 C ATOM 115 CD PRO A 7 14.433 0.791 24.752 1.00 15.35 C ATOM 0 HA PRO A 7 12.970 -0.891 22.395 1.00 13.61 H new ATOM 0 HB2 PRO A 7 13.856 1.788 21.727 1.00 13.66 H new ATOM 0 HB3 PRO A 7 12.296 1.333 22.384 1.00 13.66 H new ATOM 0 HG2 PRO A 7 14.439 2.725 23.761 1.00 14.79 H new ATOM 0 HG3 PRO A 7 12.878 2.272 24.417 1.00 14.79 H new ATOM 0 HD2 PRO A 7 15.449 1.073 25.027 1.00 15.35 H new ATOM 0 HD3 PRO A 7 13.888 0.618 25.680 1.00 15.35 H new ATOM 123 N GLN A 8 14.725 -1.625 20.810 1.00 11.84 N ATOM 124 CA GLN A 8 15.685 -1.963 19.720 1.00 10.90 C ATOM 125 C GLN A 8 15.415 -1.068 18.508 1.00 9.58 C ATOM 126 O GLN A 8 16.326 -0.532 17.908 1.00 9.42 O ATOM 127 CB GLN A 8 15.508 -3.430 19.321 1.00 11.42 C ATOM 128 CG GLN A 8 16.828 -3.973 18.770 1.00 11.54 C ATOM 129 CD GLN A 8 17.057 -3.428 17.361 1.00 11.37 C ATOM 130 OE1 GLN A 8 16.238 -3.616 16.483 1.00 11.42 O ATOM 131 NE2 GLN A 8 18.145 -2.756 17.103 1.00 11.58 N ATOM 0 H GLN A 8 14.011 -2.331 20.989 1.00 11.84 H new ATOM 0 HA GLN A 8 16.705 -1.803 20.070 1.00 10.90 H new ATOM 0 HB2 GLN A 8 15.193 -4.017 20.184 1.00 11.42 H new ATOM 0 HB3 GLN A 8 14.723 -3.521 18.570 1.00 11.42 H new ATOM 0 HG2 GLN A 8 17.652 -3.683 19.421 1.00 11.54 H new ATOM 0 HG3 GLN A 8 16.805 -5.063 18.750 1.00 11.54 H new ATOM 0 HE21 GLN A 8 18.833 -2.598 17.839 1.00 11.58 H new ATOM 0 HE22 GLN A 8 18.307 -2.389 16.165 1.00 11.58 H new ATOM 140 N GLU A 9 14.166 -0.907 18.148 1.00 9.04 N ATOM 141 CA GLU A 9 13.824 -0.049 16.976 1.00 8.10 C ATOM 142 C GLU A 9 12.457 0.603 17.204 1.00 7.84 C ATOM 143 O GLU A 9 11.466 -0.072 17.405 1.00 8.32 O ATOM 144 CB GLU A 9 13.775 -0.907 15.710 1.00 8.14 C ATOM 145 CG GLU A 9 12.822 -2.085 15.925 1.00 9.05 C ATOM 146 CD GLU A 9 13.080 -3.153 14.860 1.00 9.70 C ATOM 147 OE1 GLU A 9 14.077 -3.847 14.976 1.00 10.26 O ATOM 148 OE2 GLU A 9 12.278 -3.257 13.947 1.00 10.08 O ATOM 0 H GLU A 9 13.368 -1.335 18.618 1.00 9.04 H new ATOM 0 HA GLU A 9 14.582 0.725 16.859 1.00 8.10 H new ATOM 0 HB2 GLU A 9 13.442 -0.306 14.864 1.00 8.14 H new ATOM 0 HB3 GLU A 9 14.773 -1.273 15.468 1.00 8.14 H new ATOM 0 HG2 GLU A 9 12.967 -2.506 16.920 1.00 9.05 H new ATOM 0 HG3 GLU A 9 11.788 -1.744 15.870 1.00 9.05 H new ATOM 155 N THR A 10 12.402 1.911 17.175 1.00 7.64 N ATOM 156 CA THR A 10 11.104 2.617 17.390 1.00 7.97 C ATOM 157 C THR A 10 10.424 2.858 16.042 1.00 7.01 C ATOM 158 O THR A 10 9.224 2.703 15.907 1.00 7.26 O ATOM 159 CB THR A 10 11.361 3.959 18.079 1.00 9.25 C ATOM 160 OG1 THR A 10 12.228 4.744 17.271 1.00 9.28 O ATOM 161 CG2 THR A 10 12.010 3.719 19.444 1.00 10.28 C ATOM 0 H THR A 10 13.203 2.521 17.011 1.00 7.64 H new ATOM 0 HA THR A 10 10.457 2.004 18.018 1.00 7.97 H new ATOM 0 HB THR A 10 10.416 4.484 18.217 1.00 9.25 H new ATOM 0 HG1 THR A 10 12.393 5.605 17.709 1.00 9.28 H new ATOM 0 HG21 THR A 10 12.192 4.676 19.933 1.00 10.28 H new ATOM 0 HG22 THR A 10 11.345 3.116 20.062 1.00 10.28 H new ATOM 0 HG23 THR A 10 12.956 3.194 19.310 1.00 10.28 H new ATOM 169 N LEU A 11 11.182 3.237 15.045 1.00 6.43 N ATOM 170 CA LEU A 11 10.588 3.492 13.699 1.00 5.95 C ATOM 171 C LEU A 11 10.604 2.201 12.879 1.00 4.47 C ATOM 172 O LEU A 11 11.561 1.451 12.906 1.00 4.57 O ATOM 173 CB LEU A 11 11.405 4.567 12.978 1.00 6.91 C ATOM 174 CG LEU A 11 10.487 5.381 12.067 1.00 8.09 C ATOM 175 CD1 LEU A 11 9.650 6.344 12.912 1.00 9.75 C ATOM 176 CD2 LEU A 11 11.333 6.180 11.074 1.00 8.85 C ATOM 0 H LEU A 11 12.190 3.381 15.106 1.00 6.43 H new ATOM 0 HA LEU A 11 9.559 3.833 13.814 1.00 5.95 H new ATOM 0 HB2 LEU A 11 11.886 5.221 13.705 1.00 6.91 H new ATOM 0 HB3 LEU A 11 12.198 4.103 12.392 1.00 6.91 H new ATOM 0 HG LEU A 11 9.826 4.707 11.523 1.00 8.09 H new ATOM 0 HD11 LEU A 11 8.996 6.924 12.261 1.00 9.75 H new ATOM 0 HD12 LEU A 11 9.047 5.776 13.620 1.00 9.75 H new ATOM 0 HD13 LEU A 11 10.311 7.018 13.457 1.00 9.75 H new ATOM 0 HD21 LEU A 11 10.679 6.761 10.424 1.00 8.85 H new ATOM 0 HD22 LEU A 11 11.994 6.854 11.619 1.00 8.85 H new ATOM 0 HD23 LEU A 11 11.929 5.495 10.471 1.00 8.85 H new ATOM 188 N ASN A 12 9.549 1.939 12.150 1.00 3.78 N ATOM 189 CA ASN A 12 9.491 0.698 11.323 1.00 2.77 C ATOM 190 C ASN A 12 9.383 1.075 9.844 1.00 2.22 C ATOM 191 O ASN A 12 10.332 0.944 9.092 1.00 2.26 O ATOM 192 CB ASN A 12 8.271 -0.130 11.730 1.00 3.54 C ATOM 193 CG ASN A 12 8.645 -1.053 12.892 1.00 4.50 C ATOM 194 OD1 ASN A 12 9.036 -0.593 13.946 1.00 4.94 O ATOM 195 ND2 ASN A 12 8.542 -2.346 12.742 1.00 5.56 N ATOM 0 H ASN A 12 8.723 2.534 12.093 1.00 3.78 H new ATOM 0 HA ASN A 12 10.396 0.112 11.483 1.00 2.77 H new ATOM 0 HB2 ASN A 12 7.453 0.528 12.023 1.00 3.54 H new ATOM 0 HB3 ASN A 12 7.919 -0.719 10.883 1.00 3.54 H new ATOM 0 HD21 ASN A 12 8.790 -2.970 13.510 1.00 5.56 H new ATOM 0 HD22 ASN A 12 8.214 -2.732 11.857 1.00 5.56 H new ATOM 202 N GLY A 13 8.234 1.540 9.423 1.00 2.10 N ATOM 203 CA GLY A 13 8.057 1.928 7.992 1.00 2.09 C ATOM 204 C GLY A 13 8.137 0.681 7.110 1.00 1.86 C ATOM 205 O GLY A 13 8.152 -0.433 7.597 1.00 2.25 O ATOM 0 H GLY A 13 7.410 1.668 10.010 1.00 2.10 H new ATOM 0 HA2 GLY A 13 7.095 2.422 7.855 1.00 2.09 H new ATOM 0 HA3 GLY A 13 8.827 2.642 7.700 1.00 2.09 H new ATOM 209 N GLY A 14 8.187 0.863 5.815 1.00 1.93 N ATOM 210 CA GLY A 14 8.266 -0.305 4.891 1.00 1.83 C ATOM 211 C GLY A 14 6.893 -0.553 4.262 1.00 1.45 C ATOM 212 O GLY A 14 6.521 -1.679 3.991 1.00 1.48 O ATOM 0 H GLY A 14 8.176 1.775 5.358 1.00 1.93 H new ATOM 0 HA2 GLY A 14 9.006 -0.117 4.113 1.00 1.83 H new ATOM 0 HA3 GLY A 14 8.594 -1.191 5.435 1.00 1.83 H new ATOM 216 N ILE A 15 6.141 0.494 4.030 1.00 1.21 N ATOM 217 CA ILE A 15 4.791 0.331 3.420 1.00 0.90 C ATOM 218 C ILE A 15 4.925 0.112 1.918 1.00 0.71 C ATOM 219 O ILE A 15 4.534 -0.909 1.385 1.00 0.82 O ATOM 220 CB ILE A 15 3.969 1.602 3.625 1.00 0.77 C ATOM 221 CG1 ILE A 15 3.959 2.003 5.094 1.00 1.04 C ATOM 222 CG2 ILE A 15 2.539 1.357 3.161 1.00 0.69 C ATOM 223 CD1 ILE A 15 3.201 3.324 5.231 1.00 1.42 C ATOM 0 H ILE A 15 6.407 1.456 4.238 1.00 1.21 H new ATOM 0 HA ILE A 15 4.304 -0.522 3.893 1.00 0.90 H new ATOM 0 HB ILE A 15 4.419 2.408 3.044 1.00 0.77 H new ATOM 0 HG12 ILE A 15 3.482 1.229 5.695 1.00 1.04 H new ATOM 0 HG13 ILE A 15 4.979 2.111 5.464 1.00 1.04 H new ATOM 0 HG21 ILE A 15 1.949 2.262 3.306 1.00 0.69 H new ATOM 0 HG22 ILE A 15 2.540 1.090 2.104 1.00 0.69 H new ATOM 0 HG23 ILE A 15 2.103 0.543 3.740 1.00 0.69 H new ATOM 0 HD11 ILE A 15 3.184 3.627 6.278 1.00 1.42 H new ATOM 0 HD12 ILE A 15 3.699 4.092 4.639 1.00 1.42 H new ATOM 0 HD13 ILE A 15 2.179 3.196 4.874 1.00 1.42 H new ATOM 235 N THR A 16 5.449 1.093 1.233 1.00 0.63 N ATOM 236 CA THR A 16 5.591 0.999 -0.247 1.00 0.56 C ATOM 237 C THR A 16 6.375 -0.259 -0.644 1.00 0.62 C ATOM 238 O THR A 16 6.275 -0.723 -1.763 1.00 0.66 O ATOM 239 CB THR A 16 6.315 2.243 -0.777 1.00 0.62 C ATOM 240 OG1 THR A 16 6.712 2.021 -2.124 1.00 0.67 O ATOM 241 CG2 THR A 16 7.547 2.533 0.078 1.00 0.80 C ATOM 0 H THR A 16 5.788 1.964 1.641 1.00 0.63 H new ATOM 0 HA THR A 16 4.594 0.938 -0.684 1.00 0.56 H new ATOM 0 HB THR A 16 5.640 3.098 -0.731 1.00 0.62 H new ATOM 0 HG1 THR A 16 7.605 2.398 -2.268 1.00 0.67 H new ATOM 0 HG21 THR A 16 8.056 3.418 -0.305 1.00 0.80 H new ATOM 0 HG22 THR A 16 7.241 2.708 1.109 1.00 0.80 H new ATOM 0 HG23 THR A 16 8.225 1.680 0.040 1.00 0.80 H new ATOM 249 N ASP A 17 7.152 -0.810 0.255 1.00 0.73 N ATOM 250 CA ASP A 17 7.938 -2.036 -0.081 1.00 0.87 C ATOM 251 C ASP A 17 6.982 -3.217 -0.275 1.00 0.81 C ATOM 252 O ASP A 17 6.978 -3.862 -1.307 1.00 0.84 O ATOM 253 CB ASP A 17 8.907 -2.349 1.061 1.00 1.07 C ATOM 254 CG ASP A 17 9.961 -1.244 1.155 1.00 2.19 C ATOM 255 OD1 ASP A 17 10.656 -1.031 0.176 1.00 2.47 O ATOM 256 OD2 ASP A 17 10.054 -0.629 2.205 1.00 3.61 O ATOM 0 H ASP A 17 7.276 -0.464 1.206 1.00 0.73 H new ATOM 0 HA ASP A 17 8.500 -1.867 -1.000 1.00 0.87 H new ATOM 0 HB2 ASP A 17 8.363 -2.428 2.002 1.00 1.07 H new ATOM 0 HB3 ASP A 17 9.389 -3.312 0.890 1.00 1.07 H new ATOM 261 N MET A 18 6.173 -3.503 0.714 1.00 0.82 N ATOM 262 CA MET A 18 5.213 -4.641 0.604 1.00 0.81 C ATOM 263 C MET A 18 4.134 -4.327 -0.442 1.00 0.65 C ATOM 264 O MET A 18 3.487 -5.222 -0.958 1.00 0.66 O ATOM 265 CB MET A 18 4.551 -4.879 1.963 1.00 0.91 C ATOM 266 CG MET A 18 5.335 -5.944 2.734 1.00 1.42 C ATOM 267 SD MET A 18 6.804 -5.191 3.476 1.00 2.96 S ATOM 268 CE MET A 18 7.412 -6.670 4.327 1.00 3.19 C ATOM 0 H MET A 18 6.137 -2.994 1.597 1.00 0.82 H new ATOM 0 HA MET A 18 5.755 -5.535 0.295 1.00 0.81 H new ATOM 0 HB2 MET A 18 4.522 -3.950 2.533 1.00 0.91 H new ATOM 0 HB3 MET A 18 3.519 -5.201 1.825 1.00 0.91 H new ATOM 0 HG2 MET A 18 4.707 -6.383 3.509 1.00 1.42 H new ATOM 0 HG3 MET A 18 5.627 -6.753 2.064 1.00 1.42 H new ATOM 0 HE1 MET A 18 8.331 -6.430 4.862 1.00 3.19 H new ATOM 0 HE2 MET A 18 6.660 -7.017 5.036 1.00 3.19 H new ATOM 0 HE3 MET A 18 7.611 -7.454 3.596 1.00 3.19 H new ATOM 278 N LEU A 19 3.947 -3.071 -0.777 1.00 0.56 N ATOM 279 CA LEU A 19 2.924 -2.719 -1.801 1.00 0.50 C ATOM 280 C LEU A 19 3.499 -3.070 -3.170 1.00 0.57 C ATOM 281 O LEU A 19 2.802 -3.516 -4.061 1.00 0.58 O ATOM 282 CB LEU A 19 2.605 -1.217 -1.732 1.00 0.50 C ATOM 283 CG LEU A 19 1.087 -1.011 -1.657 1.00 0.66 C ATOM 284 CD1 LEU A 19 0.778 0.481 -1.532 1.00 1.98 C ATOM 285 CD2 LEU A 19 0.427 -1.557 -2.927 1.00 1.86 C ATOM 0 H LEU A 19 4.459 -2.281 -0.384 1.00 0.56 H new ATOM 0 HA LEU A 19 2.001 -3.270 -1.623 1.00 0.50 H new ATOM 0 HB2 LEU A 19 3.085 -0.774 -0.859 1.00 0.50 H new ATOM 0 HB3 LEU A 19 3.007 -0.710 -2.609 1.00 0.50 H new ATOM 0 HG LEU A 19 0.697 -1.541 -0.788 1.00 0.66 H new ATOM 0 HD11 LEU A 19 -0.301 0.626 -1.479 1.00 1.98 H new ATOM 0 HD12 LEU A 19 1.242 0.874 -0.627 1.00 1.98 H new ATOM 0 HD13 LEU A 19 1.172 1.008 -2.401 1.00 1.98 H new ATOM 0 HD21 LEU A 19 -0.651 -1.409 -2.869 1.00 1.86 H new ATOM 0 HD22 LEU A 19 0.820 -1.030 -3.797 1.00 1.86 H new ATOM 0 HD23 LEU A 19 0.642 -2.621 -3.020 1.00 1.86 H new ATOM 297 N VAL A 20 4.784 -2.890 -3.320 1.00 0.72 N ATOM 298 CA VAL A 20 5.455 -3.225 -4.597 1.00 0.92 C ATOM 299 C VAL A 20 5.366 -4.740 -4.807 1.00 0.89 C ATOM 300 O VAL A 20 5.302 -5.217 -5.923 1.00 0.96 O ATOM 301 CB VAL A 20 6.920 -2.775 -4.507 1.00 1.28 C ATOM 302 CG1 VAL A 20 7.676 -3.189 -5.766 1.00 1.57 C ATOM 303 CG2 VAL A 20 6.973 -1.249 -4.364 1.00 1.40 C ATOM 0 H VAL A 20 5.401 -2.519 -2.597 1.00 0.72 H new ATOM 0 HA VAL A 20 4.979 -2.721 -5.438 1.00 0.92 H new ATOM 0 HB VAL A 20 7.385 -3.247 -3.641 1.00 1.28 H new ATOM 0 HG11 VAL A 20 8.714 -2.864 -5.691 1.00 1.57 H new ATOM 0 HG12 VAL A 20 7.642 -4.273 -5.871 1.00 1.57 H new ATOM 0 HG13 VAL A 20 7.213 -2.725 -6.637 1.00 1.57 H new ATOM 0 HG21 VAL A 20 8.012 -0.925 -4.300 1.00 1.40 H new ATOM 0 HG22 VAL A 20 6.502 -0.786 -5.231 1.00 1.40 H new ATOM 0 HG23 VAL A 20 6.443 -0.950 -3.460 1.00 1.40 H new ATOM 313 N GLU A 21 5.351 -5.497 -3.734 1.00 0.89 N ATOM 314 CA GLU A 21 5.250 -6.979 -3.858 1.00 1.04 C ATOM 315 C GLU A 21 3.906 -7.332 -4.495 1.00 0.89 C ATOM 316 O GLU A 21 3.824 -8.164 -5.384 1.00 0.99 O ATOM 317 CB GLU A 21 5.343 -7.618 -2.471 1.00 1.22 C ATOM 318 CG GLU A 21 5.563 -9.126 -2.617 1.00 2.11 C ATOM 319 CD GLU A 21 7.030 -9.398 -2.952 1.00 1.72 C ATOM 320 OE1 GLU A 21 7.852 -9.289 -2.056 1.00 2.34 O ATOM 321 OE2 GLU A 21 7.308 -9.711 -4.098 1.00 2.83 O ATOM 0 H GLU A 21 5.405 -5.147 -2.777 1.00 0.89 H new ATOM 0 HA GLU A 21 6.064 -7.354 -4.479 1.00 1.04 H new ATOM 0 HB2 GLU A 21 6.164 -7.173 -1.908 1.00 1.22 H new ATOM 0 HB3 GLU A 21 4.429 -7.426 -1.908 1.00 1.22 H new ATOM 0 HG2 GLU A 21 5.290 -9.635 -1.693 1.00 2.11 H new ATOM 0 HG3 GLU A 21 4.920 -9.524 -3.402 1.00 2.11 H new ATOM 328 N LEU A 22 2.846 -6.692 -4.055 1.00 0.77 N ATOM 329 CA LEU A 22 1.507 -6.980 -4.647 1.00 0.84 C ATOM 330 C LEU A 22 1.520 -6.605 -6.131 1.00 0.70 C ATOM 331 O LEU A 22 0.782 -7.156 -6.920 1.00 0.88 O ATOM 332 CB LEU A 22 0.420 -6.175 -3.925 1.00 1.10 C ATOM 333 CG LEU A 22 -0.856 -7.023 -3.802 1.00 1.03 C ATOM 334 CD1 LEU A 22 -1.947 -6.208 -3.116 1.00 1.99 C ATOM 335 CD2 LEU A 22 -1.353 -7.434 -5.189 1.00 1.64 C ATOM 0 H LEU A 22 2.854 -5.988 -3.317 1.00 0.77 H new ATOM 0 HA LEU A 22 1.290 -8.042 -4.535 1.00 0.84 H new ATOM 0 HB2 LEU A 22 0.769 -5.880 -2.935 1.00 1.10 H new ATOM 0 HB3 LEU A 22 0.207 -5.258 -4.475 1.00 1.10 H new ATOM 0 HG LEU A 22 -0.627 -7.914 -3.217 1.00 1.03 H new ATOM 0 HD11 LEU A 22 -2.851 -6.811 -3.029 1.00 1.99 H new ATOM 0 HD12 LEU A 22 -1.611 -5.914 -2.122 1.00 1.99 H new ATOM 0 HD13 LEU A 22 -2.160 -5.316 -3.706 1.00 1.99 H new ATOM 0 HD21 LEU A 22 -2.257 -8.034 -5.088 1.00 1.64 H new ATOM 0 HD22 LEU A 22 -1.573 -6.542 -5.776 1.00 1.64 H new ATOM 0 HD23 LEU A 22 -0.583 -8.019 -5.693 1.00 1.64 H new ATOM 347 N ALA A 23 2.366 -5.681 -6.519 1.00 0.67 N ATOM 348 CA ALA A 23 2.440 -5.288 -7.958 1.00 0.81 C ATOM 349 C ALA A 23 3.259 -6.343 -8.715 1.00 0.82 C ATOM 350 O ALA A 23 3.067 -6.564 -9.895 1.00 0.89 O ATOM 351 CB ALA A 23 3.109 -3.919 -8.084 1.00 1.21 C ATOM 0 H ALA A 23 3.007 -5.184 -5.901 1.00 0.67 H new ATOM 0 HA ALA A 23 1.437 -5.228 -8.380 1.00 0.81 H new ATOM 0 HB1 ALA A 23 3.162 -3.635 -9.135 1.00 1.21 H new ATOM 0 HB2 ALA A 23 2.527 -3.178 -7.537 1.00 1.21 H new ATOM 0 HB3 ALA A 23 4.116 -3.967 -7.670 1.00 1.21 H new ATOM 357 N ASN A 24 4.161 -7.005 -8.030 1.00 0.96 N ATOM 358 CA ASN A 24 4.989 -8.063 -8.679 1.00 1.29 C ATOM 359 C ASN A 24 4.168 -9.355 -8.818 1.00 1.35 C ATOM 360 O ASN A 24 4.591 -10.284 -9.478 1.00 1.67 O ATOM 361 CB ASN A 24 6.226 -8.337 -7.821 1.00 1.57 C ATOM 362 CG ASN A 24 7.312 -7.311 -8.150 1.00 1.57 C ATOM 363 OD1 ASN A 24 7.023 -6.146 -8.342 1.00 2.34 O ATOM 364 ND2 ASN A 24 8.556 -7.695 -8.221 1.00 2.10 N ATOM 0 H ASN A 24 4.358 -6.854 -7.041 1.00 0.96 H new ATOM 0 HA ASN A 24 5.296 -7.724 -9.668 1.00 1.29 H new ATOM 0 HB2 ASN A 24 5.968 -8.283 -6.763 1.00 1.57 H new ATOM 0 HB3 ASN A 24 6.595 -9.346 -8.007 1.00 1.57 H new ATOM 0 HD21 ASN A 24 9.287 -7.018 -8.438 1.00 2.10 H new ATOM 0 HD22 ASN A 24 8.798 -8.673 -8.060 1.00 2.10 H new ATOM 371 N PHE A 25 2.995 -9.415 -8.200 1.00 1.18 N ATOM 372 CA PHE A 25 2.100 -10.629 -8.279 1.00 1.45 C ATOM 373 C PHE A 25 2.141 -11.266 -9.676 1.00 1.69 C ATOM 374 O PHE A 25 2.428 -12.437 -9.814 1.00 1.95 O ATOM 375 CB PHE A 25 0.668 -10.173 -7.972 1.00 1.35 C ATOM 376 CG PHE A 25 0.209 -10.723 -6.652 1.00 1.57 C ATOM 377 CD1 PHE A 25 0.905 -10.414 -5.482 1.00 2.33 C ATOM 378 CD2 PHE A 25 -0.923 -11.541 -6.603 1.00 2.44 C ATOM 379 CE1 PHE A 25 0.468 -10.923 -4.258 1.00 2.52 C ATOM 380 CE2 PHE A 25 -1.362 -12.052 -5.382 1.00 2.66 C ATOM 381 CZ PHE A 25 -0.667 -11.744 -4.206 1.00 2.11 C ATOM 0 H PHE A 25 2.617 -8.656 -7.634 1.00 1.18 H new ATOM 0 HA PHE A 25 2.442 -11.377 -7.563 1.00 1.45 H new ATOM 0 HB2 PHE A 25 0.624 -9.084 -7.953 1.00 1.35 H new ATOM 0 HB3 PHE A 25 -0.003 -10.506 -8.764 1.00 1.35 H new ATOM 0 HD1 PHE A 25 1.780 -9.782 -5.524 1.00 2.33 H new ATOM 0 HD2 PHE A 25 -1.458 -11.777 -7.511 1.00 2.44 H new ATOM 0 HE1 PHE A 25 1.004 -10.684 -3.351 1.00 2.52 H new ATOM 0 HE2 PHE A 25 -2.237 -12.684 -5.343 1.00 2.66 H new ATOM 0 HZ PHE A 25 -1.005 -12.139 -3.259 1.00 2.11 H new ATOM 391 N GLU A 26 1.883 -10.480 -10.699 1.00 1.67 N ATOM 392 CA GLU A 26 1.913 -10.976 -12.124 1.00 1.93 C ATOM 393 C GLU A 26 0.614 -11.716 -12.487 1.00 2.32 C ATOM 394 O GLU A 26 -0.107 -11.296 -13.372 1.00 3.47 O ATOM 395 CB GLU A 26 3.114 -11.906 -12.361 1.00 2.64 C ATOM 396 CG GLU A 26 3.501 -11.874 -13.841 1.00 3.21 C ATOM 397 CD GLU A 26 4.998 -12.153 -13.985 1.00 3.51 C ATOM 398 OE1 GLU A 26 5.757 -11.631 -13.185 1.00 3.76 O ATOM 399 OE2 GLU A 26 5.360 -12.885 -14.892 1.00 4.25 O ATOM 0 H GLU A 26 1.647 -9.492 -10.607 1.00 1.67 H new ATOM 0 HA GLU A 26 2.009 -10.100 -12.765 1.00 1.93 H new ATOM 0 HB2 GLU A 26 3.958 -11.591 -11.747 1.00 2.64 H new ATOM 0 HB3 GLU A 26 2.864 -12.924 -12.062 1.00 2.64 H new ATOM 0 HG2 GLU A 26 2.927 -12.618 -14.394 1.00 3.21 H new ATOM 0 HG3 GLU A 26 3.259 -10.902 -14.270 1.00 3.21 H new ATOM 406 N LYS A 27 0.315 -12.814 -11.832 1.00 1.95 N ATOM 407 CA LYS A 27 -0.928 -13.575 -12.167 1.00 2.31 C ATOM 408 C LYS A 27 -2.156 -12.711 -11.886 1.00 2.17 C ATOM 409 O LYS A 27 -2.888 -12.344 -12.787 1.00 2.20 O ATOM 410 CB LYS A 27 -0.994 -14.843 -11.312 1.00 3.18 C ATOM 411 CG LYS A 27 -1.682 -15.957 -12.103 1.00 4.17 C ATOM 412 CD LYS A 27 -1.075 -17.307 -11.717 1.00 4.38 C ATOM 413 CE LYS A 27 -1.917 -18.435 -12.316 1.00 5.53 C ATOM 414 NZ LYS A 27 -1.813 -18.397 -13.802 1.00 5.76 N ATOM 0 H LYS A 27 0.878 -13.214 -11.081 1.00 1.95 H new ATOM 0 HA LYS A 27 -0.911 -13.844 -13.223 1.00 2.31 H new ATOM 0 HB2 LYS A 27 0.011 -15.153 -11.025 1.00 3.18 H new ATOM 0 HB3 LYS A 27 -1.542 -14.645 -10.391 1.00 3.18 H new ATOM 0 HG2 LYS A 27 -2.752 -15.956 -11.898 1.00 4.17 H new ATOM 0 HG3 LYS A 27 -1.562 -15.785 -13.173 1.00 4.17 H new ATOM 0 HD2 LYS A 27 -0.049 -17.373 -12.079 1.00 4.38 H new ATOM 0 HD3 LYS A 27 -1.037 -17.404 -10.632 1.00 4.38 H new ATOM 0 HE2 LYS A 27 -1.573 -19.399 -11.941 1.00 5.53 H new ATOM 0 HE3 LYS A 27 -2.958 -18.328 -12.011 1.00 5.53 H new ATOM 0 HZ1 LYS A 27 -2.242 -19.256 -14.202 1.00 5.76 H new ATOM 0 HZ2 LYS A 27 -2.313 -17.560 -14.164 1.00 5.76 H new ATOM 0 HZ3 LYS A 27 -0.812 -18.349 -14.079 1.00 5.76 H new ATOM 428 N ASN A 28 -2.385 -12.388 -10.643 1.00 2.34 N ATOM 429 CA ASN A 28 -3.564 -11.551 -10.279 1.00 2.73 C ATOM 430 C ASN A 28 -3.195 -10.060 -10.332 1.00 2.33 C ATOM 431 O ASN A 28 -3.927 -9.224 -9.838 1.00 3.02 O ATOM 432 CB ASN A 28 -3.993 -11.909 -8.854 1.00 3.18 C ATOM 433 CG ASN A 28 -5.518 -11.863 -8.747 1.00 4.25 C ATOM 434 OD1 ASN A 28 -6.057 -11.236 -7.857 1.00 5.10 O ATOM 435 ND2 ASN A 28 -6.242 -12.503 -9.624 1.00 4.76 N ATOM 0 H ASN A 28 -1.800 -12.671 -9.856 1.00 2.34 H new ATOM 0 HA ASN A 28 -4.374 -11.740 -10.983 1.00 2.73 H new ATOM 0 HB2 ASN A 28 -3.631 -12.904 -8.594 1.00 3.18 H new ATOM 0 HB3 ASN A 28 -3.548 -11.212 -8.144 1.00 3.18 H new ATOM 0 HD21 ASN A 28 -7.260 -12.477 -9.562 1.00 4.76 H new ATOM 0 HD22 ASN A 28 -5.790 -13.030 -10.372 1.00 4.76 H new ATOM 442 N VAL A 29 -2.061 -9.720 -10.898 1.00 1.63 N ATOM 443 CA VAL A 29 -1.635 -8.288 -10.951 1.00 1.78 C ATOM 444 C VAL A 29 -0.711 -8.089 -12.158 1.00 2.09 C ATOM 445 O VAL A 29 0.252 -7.346 -12.100 1.00 3.13 O ATOM 446 CB VAL A 29 -0.855 -7.970 -9.681 1.00 1.36 C ATOM 447 CG1 VAL A 29 -0.569 -6.474 -9.602 1.00 2.11 C ATOM 448 CG2 VAL A 29 -1.662 -8.382 -8.448 1.00 1.30 C ATOM 0 H VAL A 29 -1.410 -10.378 -11.327 1.00 1.63 H new ATOM 0 HA VAL A 29 -2.506 -7.638 -11.037 1.00 1.78 H new ATOM 0 HB VAL A 29 0.083 -8.524 -9.708 1.00 1.36 H new ATOM 0 HG11 VAL A 29 -0.011 -6.258 -8.691 1.00 2.11 H new ATOM 0 HG12 VAL A 29 0.019 -6.170 -10.468 1.00 2.11 H new ATOM 0 HG13 VAL A 29 -1.510 -5.924 -9.591 1.00 2.11 H new ATOM 0 HG21 VAL A 29 -1.094 -8.150 -7.547 1.00 1.30 H new ATOM 0 HG22 VAL A 29 -2.606 -7.837 -8.432 1.00 1.30 H new ATOM 0 HG23 VAL A 29 -1.862 -9.453 -8.485 1.00 1.30 H new ATOM 458 N SER A 30 -0.979 -8.772 -13.239 1.00 1.97 N ATOM 459 CA SER A 30 -0.107 -8.665 -14.452 1.00 2.48 C ATOM 460 C SER A 30 0.105 -7.195 -14.864 1.00 3.40 C ATOM 461 O SER A 30 1.085 -6.583 -14.482 1.00 4.59 O ATOM 462 CB SER A 30 -0.753 -9.449 -15.592 1.00 3.00 C ATOM 463 OG SER A 30 -0.133 -9.093 -16.822 1.00 3.75 O ATOM 0 H SER A 30 -1.772 -9.406 -13.337 1.00 1.97 H new ATOM 0 HA SER A 30 0.873 -9.082 -14.221 1.00 2.48 H new ATOM 0 HB2 SER A 30 -0.649 -10.520 -15.416 1.00 3.00 H new ATOM 0 HB3 SER A 30 -1.821 -9.235 -15.635 1.00 3.00 H new ATOM 0 HG SER A 30 -0.546 -9.597 -17.554 1.00 3.75 H new ATOM 469 N GLN A 31 -0.787 -6.629 -15.647 1.00 3.72 N ATOM 470 CA GLN A 31 -0.605 -5.209 -16.084 1.00 5.17 C ATOM 471 C GLN A 31 -1.959 -4.592 -16.449 1.00 5.24 C ATOM 472 O GLN A 31 -2.244 -3.462 -16.102 1.00 6.48 O ATOM 473 CB GLN A 31 0.316 -5.170 -17.304 1.00 6.58 C ATOM 474 CG GLN A 31 -0.237 -6.092 -18.392 1.00 6.16 C ATOM 475 CD GLN A 31 0.790 -6.231 -19.517 1.00 6.92 C ATOM 476 OE1 GLN A 31 1.498 -5.293 -19.828 1.00 8.21 O ATOM 477 NE2 GLN A 31 0.904 -7.370 -20.143 1.00 6.71 N ATOM 0 H GLN A 31 -1.627 -7.088 -15.999 1.00 3.72 H new ATOM 0 HA GLN A 31 -0.163 -4.638 -15.268 1.00 5.17 H new ATOM 0 HB2 GLN A 31 0.394 -4.150 -17.682 1.00 6.58 H new ATOM 0 HB3 GLN A 31 1.322 -5.483 -17.024 1.00 6.58 H new ATOM 0 HG2 GLN A 31 -0.466 -7.071 -17.971 1.00 6.16 H new ATOM 0 HG3 GLN A 31 -1.170 -5.688 -18.785 1.00 6.16 H new ATOM 0 HE21 GLN A 31 0.310 -8.157 -19.882 1.00 6.71 H new ATOM 0 HE22 GLN A 31 1.587 -7.473 -20.893 1.00 6.71 H new ATOM 486 N ALA A 32 -2.791 -5.321 -17.148 1.00 4.34 N ATOM 487 CA ALA A 32 -4.127 -4.776 -17.532 1.00 4.59 C ATOM 488 C ALA A 32 -5.175 -5.272 -16.534 1.00 3.44 C ATOM 489 O ALA A 32 -6.285 -5.613 -16.902 1.00 3.84 O ATOM 490 CB ALA A 32 -4.489 -5.255 -18.940 1.00 5.71 C ATOM 0 H ALA A 32 -2.602 -6.271 -17.469 1.00 4.34 H new ATOM 0 HA ALA A 32 -4.098 -3.686 -17.521 1.00 4.59 H new ATOM 0 HB1 ALA A 32 -5.464 -4.857 -19.220 1.00 5.71 H new ATOM 0 HB2 ALA A 32 -3.737 -4.905 -19.648 1.00 5.71 H new ATOM 0 HB3 ALA A 32 -4.523 -6.344 -18.956 1.00 5.71 H new ATOM 496 N ILE A 33 -4.824 -5.322 -15.274 1.00 2.45 N ATOM 497 CA ILE A 33 -5.789 -5.803 -14.239 1.00 1.51 C ATOM 498 C ILE A 33 -6.573 -4.612 -13.683 1.00 1.93 C ATOM 499 O ILE A 33 -6.134 -3.480 -13.759 1.00 2.84 O ATOM 500 CB ILE A 33 -5.061 -6.513 -13.078 1.00 1.76 C ATOM 501 CG1 ILE A 33 -3.716 -7.120 -13.529 1.00 2.11 C ATOM 502 CG2 ILE A 33 -5.948 -7.632 -12.538 1.00 2.64 C ATOM 503 CD1 ILE A 33 -3.925 -8.095 -14.690 1.00 2.04 C ATOM 0 H ILE A 33 -3.908 -5.050 -14.917 1.00 2.45 H new ATOM 0 HA ILE A 33 -6.464 -6.517 -14.711 1.00 1.51 H new ATOM 0 HB ILE A 33 -4.859 -5.769 -12.307 1.00 1.76 H new ATOM 0 HG12 ILE A 33 -3.036 -6.324 -13.834 1.00 2.11 H new ATOM 0 HG13 ILE A 33 -3.246 -7.638 -12.693 1.00 2.11 H new ATOM 0 HG21 ILE A 33 -5.438 -8.137 -11.717 1.00 2.64 H new ATOM 0 HG22 ILE A 33 -6.886 -7.211 -12.178 1.00 2.64 H new ATOM 0 HG23 ILE A 33 -6.154 -8.349 -13.333 1.00 2.64 H new ATOM 0 HD11 ILE A 33 -2.964 -8.512 -14.993 1.00 2.04 H new ATOM 0 HD12 ILE A 33 -4.587 -8.901 -14.373 1.00 2.04 H new ATOM 0 HD13 ILE A 33 -4.373 -7.567 -15.532 1.00 2.04 H new ATOM 515 N HIS A 34 -7.727 -4.863 -13.117 1.00 1.71 N ATOM 516 CA HIS A 34 -8.544 -3.754 -12.544 1.00 2.13 C ATOM 517 C HIS A 34 -7.990 -3.387 -11.164 1.00 1.92 C ATOM 518 O HIS A 34 -7.857 -2.226 -10.827 1.00 2.34 O ATOM 519 CB HIS A 34 -10.003 -4.203 -12.414 1.00 2.61 C ATOM 520 CG HIS A 34 -10.075 -5.479 -11.620 1.00 2.40 C ATOM 521 ND1 HIS A 34 -10.165 -5.483 -10.237 1.00 3.08 N ATOM 522 CD2 HIS A 34 -10.070 -6.798 -12.000 1.00 2.77 C ATOM 523 CE1 HIS A 34 -10.209 -6.767 -9.837 1.00 3.25 C ATOM 524 NE2 HIS A 34 -10.155 -7.611 -10.872 1.00 2.95 N ATOM 0 H HIS A 34 -8.138 -5.792 -13.028 1.00 1.71 H new ATOM 0 HA HIS A 34 -8.497 -2.885 -13.200 1.00 2.13 H new ATOM 0 HB2 HIS A 34 -10.590 -3.426 -11.925 1.00 2.61 H new ATOM 0 HB3 HIS A 34 -10.436 -4.354 -13.403 1.00 2.61 H new ATOM 0 HD2 HIS A 34 -10.009 -7.152 -13.019 1.00 2.77 H new ATOM 0 HE1 HIS A 34 -10.279 -7.078 -8.805 1.00 3.25 H new ATOM 0 HE2 HIS A 34 -10.172 -8.630 -10.842 1.00 2.95 H new ATOM 532 N LYS A 35 -7.661 -4.374 -10.370 1.00 1.51 N ATOM 533 CA LYS A 35 -7.104 -4.099 -9.012 1.00 1.36 C ATOM 534 C LYS A 35 -5.594 -3.806 -9.108 1.00 1.23 C ATOM 535 O LYS A 35 -4.969 -3.445 -8.130 1.00 1.22 O ATOM 536 CB LYS A 35 -7.340 -5.325 -8.115 1.00 1.42 C ATOM 537 CG LYS A 35 -8.020 -4.895 -6.812 1.00 2.18 C ATOM 538 CD LYS A 35 -8.644 -6.117 -6.135 1.00 2.09 C ATOM 539 CE LYS A 35 -9.653 -5.659 -5.081 1.00 3.36 C ATOM 540 NZ LYS A 35 -10.282 -6.850 -4.444 1.00 3.48 N ATOM 0 H LYS A 35 -7.755 -5.362 -10.605 1.00 1.51 H new ATOM 0 HA LYS A 35 -7.602 -3.229 -8.585 1.00 1.36 H new ATOM 0 HB2 LYS A 35 -7.961 -6.054 -8.636 1.00 1.42 H new ATOM 0 HB3 LYS A 35 -6.391 -5.814 -7.896 1.00 1.42 H new ATOM 0 HG2 LYS A 35 -7.293 -4.429 -6.147 1.00 2.18 H new ATOM 0 HG3 LYS A 35 -8.787 -4.149 -7.019 1.00 2.18 H new ATOM 0 HD2 LYS A 35 -9.137 -6.744 -6.877 1.00 2.09 H new ATOM 0 HD3 LYS A 35 -7.867 -6.724 -5.670 1.00 2.09 H new ATOM 0 HE2 LYS A 35 -9.155 -5.050 -4.326 1.00 3.36 H new ATOM 0 HE3 LYS A 35 -10.418 -5.034 -5.542 1.00 3.36 H new ATOM 0 HZ1 LYS A 35 -10.968 -6.539 -3.727 1.00 3.48 H new ATOM 0 HZ2 LYS A 35 -10.770 -7.414 -5.169 1.00 3.48 H new ATOM 0 HZ3 LYS A 35 -9.547 -7.430 -3.991 1.00 3.48 H new ATOM 554 N TYR A 36 -5.005 -3.961 -10.274 1.00 1.23 N ATOM 555 CA TYR A 36 -3.546 -3.692 -10.428 1.00 1.16 C ATOM 556 C TYR A 36 -3.299 -2.178 -10.291 1.00 1.17 C ATOM 557 O TYR A 36 -2.252 -1.754 -9.838 1.00 1.31 O ATOM 558 CB TYR A 36 -3.096 -4.229 -11.811 1.00 1.18 C ATOM 559 CG TYR A 36 -1.834 -3.545 -12.304 1.00 1.36 C ATOM 560 CD1 TYR A 36 -0.644 -3.656 -11.578 1.00 1.84 C ATOM 561 CD2 TYR A 36 -1.866 -2.803 -13.486 1.00 2.53 C ATOM 562 CE1 TYR A 36 0.515 -3.023 -12.037 1.00 1.97 C ATOM 563 CE2 TYR A 36 -0.710 -2.169 -13.948 1.00 2.78 C ATOM 564 CZ TYR A 36 0.483 -2.279 -13.224 1.00 1.91 C ATOM 565 OH TYR A 36 1.627 -1.653 -13.678 1.00 2.24 O ATOM 0 H TYR A 36 -5.479 -4.264 -11.125 1.00 1.23 H new ATOM 0 HA TYR A 36 -2.964 -4.195 -9.656 1.00 1.16 H new ATOM 0 HB2 TYR A 36 -2.923 -5.303 -11.744 1.00 1.18 H new ATOM 0 HB3 TYR A 36 -3.896 -4.079 -12.536 1.00 1.18 H new ATOM 0 HD1 TYR A 36 -0.620 -4.230 -10.664 1.00 1.84 H new ATOM 0 HD2 TYR A 36 -2.786 -2.719 -14.045 1.00 2.53 H new ATOM 0 HE1 TYR A 36 1.435 -3.107 -11.477 1.00 1.97 H new ATOM 0 HE2 TYR A 36 -0.737 -1.595 -14.862 1.00 2.78 H new ATOM 0 HH TYR A 36 1.432 -1.181 -14.514 1.00 2.24 H new ATOM 575 N ASN A 37 -4.251 -1.371 -10.681 1.00 1.09 N ATOM 576 CA ASN A 37 -4.073 0.110 -10.577 1.00 1.14 C ATOM 577 C ASN A 37 -4.272 0.579 -9.125 1.00 1.16 C ATOM 578 O ASN A 37 -4.126 1.749 -8.828 1.00 1.28 O ATOM 579 CB ASN A 37 -5.095 0.808 -11.478 1.00 1.22 C ATOM 580 CG ASN A 37 -6.502 0.307 -11.146 1.00 1.88 C ATOM 581 OD1 ASN A 37 -6.759 -0.131 -10.043 1.00 3.23 O ATOM 582 ND2 ASN A 37 -7.431 0.354 -12.062 1.00 2.86 N ATOM 0 H ASN A 37 -5.145 -1.673 -11.068 1.00 1.09 H new ATOM 0 HA ASN A 37 -3.061 0.364 -10.892 1.00 1.14 H new ATOM 0 HB2 ASN A 37 -5.040 1.888 -11.338 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -4.866 0.611 -12.525 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -8.372 0.023 -11.851 1.00 2.86 H new ATOM 0 HD22 ASN A 37 -7.215 0.722 -12.989 1.00 2.86 H new ATOM 589 N ALA A 38 -4.609 -0.314 -8.222 1.00 1.14 N ATOM 590 CA ALA A 38 -4.821 0.093 -6.802 1.00 1.21 C ATOM 591 C ALA A 38 -3.506 -0.007 -6.022 1.00 0.95 C ATOM 592 O ALA A 38 -3.277 0.731 -5.083 1.00 0.86 O ATOM 593 CB ALA A 38 -5.865 -0.829 -6.166 1.00 1.35 C ATOM 0 H ALA A 38 -4.745 -1.307 -8.411 1.00 1.14 H new ATOM 0 HA ALA A 38 -5.171 1.125 -6.772 1.00 1.21 H new ATOM 0 HB1 ALA A 38 -6.024 -0.537 -5.128 1.00 1.35 H new ATOM 0 HB2 ALA A 38 -6.804 -0.748 -6.714 1.00 1.35 H new ATOM 0 HB3 ALA A 38 -5.511 -1.859 -6.203 1.00 1.35 H new ATOM 599 N TYR A 39 -2.644 -0.919 -6.398 1.00 0.91 N ATOM 600 CA TYR A 39 -1.343 -1.076 -5.672 1.00 0.76 C ATOM 601 C TYR A 39 -0.347 -0.045 -6.194 1.00 0.69 C ATOM 602 O TYR A 39 0.536 0.391 -5.482 1.00 0.58 O ATOM 603 CB TYR A 39 -0.753 -2.480 -5.896 1.00 0.93 C ATOM 604 CG TYR A 39 -1.853 -3.510 -6.001 1.00 1.03 C ATOM 605 CD1 TYR A 39 -2.832 -3.591 -5.008 1.00 1.66 C ATOM 606 CD2 TYR A 39 -1.892 -4.374 -7.100 1.00 2.68 C ATOM 607 CE1 TYR A 39 -3.852 -4.540 -5.110 1.00 1.69 C ATOM 608 CE2 TYR A 39 -2.912 -5.323 -7.205 1.00 2.75 C ATOM 609 CZ TYR A 39 -3.894 -5.407 -6.210 1.00 1.24 C ATOM 610 OH TYR A 39 -4.902 -6.345 -6.310 1.00 1.36 O ATOM 0 H TYR A 39 -2.784 -1.563 -7.177 1.00 0.91 H new ATOM 0 HA TYR A 39 -1.527 -0.932 -4.607 1.00 0.76 H new ATOM 0 HB2 TYR A 39 -0.153 -2.487 -6.806 1.00 0.93 H new ATOM 0 HB3 TYR A 39 -0.086 -2.735 -5.073 1.00 0.93 H new ATOM 0 HD1 TYR A 39 -2.800 -2.920 -4.162 1.00 1.66 H new ATOM 0 HD2 TYR A 39 -1.134 -4.308 -7.867 1.00 2.68 H new ATOM 0 HE1 TYR A 39 -4.608 -4.605 -4.341 1.00 1.69 H new ATOM 0 HE2 TYR A 39 -2.943 -5.991 -8.053 1.00 2.75 H new ATOM 0 HH TYR A 39 -5.710 -6.005 -5.871 1.00 1.36 H new ATOM 620 N ARG A 40 -0.478 0.336 -7.436 1.00 0.85 N ATOM 621 CA ARG A 40 0.460 1.331 -8.023 1.00 0.92 C ATOM 622 C ARG A 40 0.037 2.741 -7.601 1.00 0.80 C ATOM 623 O ARG A 40 0.864 3.578 -7.289 1.00 0.80 O ATOM 624 CB ARG A 40 0.421 1.206 -9.545 1.00 1.22 C ATOM 625 CG ARG A 40 1.565 2.021 -10.157 1.00 1.49 C ATOM 626 CD ARG A 40 2.914 1.398 -9.777 1.00 1.59 C ATOM 627 NE ARG A 40 3.744 2.415 -9.059 1.00 2.94 N ATOM 628 CZ ARG A 40 4.830 2.070 -8.394 1.00 4.21 C ATOM 629 NH1 ARG A 40 5.238 0.823 -8.342 1.00 4.62 N ATOM 630 NH2 ARG A 40 5.516 2.992 -7.774 1.00 5.65 N ATOM 0 H ARG A 40 -1.200 -0.003 -8.072 1.00 0.85 H new ATOM 0 HA ARG A 40 1.474 1.146 -7.668 1.00 0.92 H new ATOM 0 HB2 ARG A 40 0.510 0.159 -9.836 1.00 1.22 H new ATOM 0 HB3 ARG A 40 -0.537 1.562 -9.925 1.00 1.22 H new ATOM 0 HG2 ARG A 40 1.462 2.051 -11.242 1.00 1.49 H new ATOM 0 HG3 ARG A 40 1.518 3.051 -9.804 1.00 1.49 H new ATOM 0 HD2 ARG A 40 2.759 0.525 -9.143 1.00 1.59 H new ATOM 0 HD3 ARG A 40 3.433 1.054 -10.671 1.00 1.59 H new ATOM 0 HE ARG A 40 3.464 3.396 -9.084 1.00 2.94 H new ATOM 0 HH11 ARG A 40 4.712 0.094 -8.823 1.00 4.62 H new ATOM 0 HH12 ARG A 40 6.081 0.584 -7.821 1.00 4.62 H new ATOM 0 HH21 ARG A 40 5.210 3.964 -7.808 1.00 5.65 H new ATOM 0 HH22 ARG A 40 6.358 2.740 -7.256 1.00 5.65 H new ATOM 644 N LYS A 41 -1.245 3.007 -7.585 1.00 0.83 N ATOM 645 CA LYS A 41 -1.731 4.359 -7.180 1.00 0.83 C ATOM 646 C LYS A 41 -1.531 4.540 -5.673 1.00 0.78 C ATOM 647 O LYS A 41 -1.010 5.547 -5.221 1.00 0.78 O ATOM 648 CB LYS A 41 -3.217 4.487 -7.518 1.00 0.94 C ATOM 649 CG LYS A 41 -3.676 5.928 -7.281 1.00 1.46 C ATOM 650 CD LYS A 41 -4.885 6.231 -8.168 1.00 1.65 C ATOM 651 CE LYS A 41 -5.673 7.401 -7.577 1.00 2.90 C ATOM 652 NZ LYS A 41 -4.798 8.606 -7.514 1.00 3.94 N ATOM 0 H LYS A 41 -1.977 2.343 -7.836 1.00 0.83 H new ATOM 0 HA LYS A 41 -1.170 5.125 -7.715 1.00 0.83 H new ATOM 0 HB2 LYS A 41 -3.389 4.206 -8.557 1.00 0.94 H new ATOM 0 HB3 LYS A 41 -3.801 3.803 -6.902 1.00 0.94 H new ATOM 0 HG2 LYS A 41 -3.936 6.070 -6.232 1.00 1.46 H new ATOM 0 HG3 LYS A 41 -2.865 6.621 -7.505 1.00 1.46 H new ATOM 0 HD2 LYS A 41 -4.556 6.474 -9.178 1.00 1.65 H new ATOM 0 HD3 LYS A 41 -5.523 5.351 -8.244 1.00 1.65 H new ATOM 0 HE2 LYS A 41 -6.552 7.608 -8.188 1.00 2.90 H new ATOM 0 HE3 LYS A 41 -6.031 7.146 -6.580 1.00 2.90 H new ATOM 0 HZ1 LYS A 41 -5.383 9.452 -7.358 1.00 3.94 H new ATOM 0 HZ2 LYS A 41 -4.122 8.503 -6.730 1.00 3.94 H new ATOM 0 HZ3 LYS A 41 -4.278 8.705 -8.409 1.00 3.94 H new ATOM 666 N ALA A 42 -1.940 3.572 -4.891 1.00 0.79 N ATOM 667 CA ALA A 42 -1.773 3.680 -3.413 1.00 0.83 C ATOM 668 C ALA A 42 -0.283 3.707 -3.078 1.00 0.71 C ATOM 669 O ALA A 42 0.155 4.450 -2.224 1.00 0.85 O ATOM 670 CB ALA A 42 -2.427 2.479 -2.725 1.00 0.92 C ATOM 0 H ALA A 42 -2.382 2.712 -5.215 1.00 0.79 H new ATOM 0 HA ALA A 42 -2.249 4.595 -3.061 1.00 0.83 H new ATOM 0 HB1 ALA A 42 -2.301 2.565 -1.646 1.00 0.92 H new ATOM 0 HB2 ALA A 42 -3.490 2.456 -2.966 1.00 0.92 H new ATOM 0 HB3 ALA A 42 -1.956 1.560 -3.073 1.00 0.92 H new ATOM 676 N ALA A 43 0.494 2.897 -3.749 1.00 0.59 N ATOM 677 CA ALA A 43 1.961 2.862 -3.483 1.00 0.55 C ATOM 678 C ALA A 43 2.607 4.186 -3.911 1.00 0.49 C ATOM 679 O ALA A 43 3.710 4.495 -3.508 1.00 0.48 O ATOM 680 CB ALA A 43 2.593 1.710 -4.261 1.00 0.61 C ATOM 0 H ALA A 43 0.173 2.255 -4.474 1.00 0.59 H new ATOM 0 HA ALA A 43 2.125 2.716 -2.415 1.00 0.55 H new ATOM 0 HB1 ALA A 43 3.665 1.685 -4.066 1.00 0.61 H new ATOM 0 HB2 ALA A 43 2.144 0.768 -3.945 1.00 0.61 H new ATOM 0 HB3 ALA A 43 2.421 1.854 -5.328 1.00 0.61 H new ATOM 686 N SER A 44 1.934 4.970 -4.720 1.00 0.57 N ATOM 687 CA SER A 44 2.517 6.272 -5.157 1.00 0.59 C ATOM 688 C SER A 44 2.414 7.274 -4.003 1.00 0.52 C ATOM 689 O SER A 44 3.320 8.047 -3.756 1.00 0.55 O ATOM 690 CB SER A 44 1.742 6.801 -6.364 1.00 0.75 C ATOM 691 OG SER A 44 2.340 6.311 -7.557 1.00 1.55 O ATOM 0 H SER A 44 1.008 4.762 -5.094 1.00 0.57 H new ATOM 0 HA SER A 44 3.562 6.134 -5.435 1.00 0.59 H new ATOM 0 HB2 SER A 44 0.700 6.485 -6.309 1.00 0.75 H new ATOM 0 HB3 SER A 44 1.745 7.891 -6.363 1.00 0.75 H new ATOM 0 HG SER A 44 2.029 5.397 -7.727 1.00 1.55 H new ATOM 697 N VAL A 45 1.312 7.259 -3.296 1.00 0.57 N ATOM 698 CA VAL A 45 1.131 8.203 -2.148 1.00 0.54 C ATOM 699 C VAL A 45 1.699 7.586 -0.855 1.00 0.42 C ATOM 700 O VAL A 45 1.843 8.271 0.141 1.00 0.59 O ATOM 701 CB VAL A 45 -0.373 8.496 -1.970 1.00 0.71 C ATOM 702 CG1 VAL A 45 -1.132 7.179 -1.833 1.00 0.80 C ATOM 703 CG2 VAL A 45 -0.617 9.348 -0.711 1.00 0.65 C ATOM 0 H VAL A 45 0.526 6.631 -3.464 1.00 0.57 H new ATOM 0 HA VAL A 45 1.666 9.130 -2.355 1.00 0.54 H new ATOM 0 HB VAL A 45 -0.725 9.046 -2.843 1.00 0.71 H new ATOM 0 HG11 VAL A 45 -2.195 7.383 -1.707 1.00 0.80 H new ATOM 0 HG12 VAL A 45 -0.982 6.577 -2.730 1.00 0.80 H new ATOM 0 HG13 VAL A 45 -0.762 6.634 -0.964 1.00 0.80 H new ATOM 0 HG21 VAL A 45 -1.684 9.543 -0.605 1.00 0.65 H new ATOM 0 HG22 VAL A 45 -0.257 8.811 0.167 1.00 0.65 H new ATOM 0 HG23 VAL A 45 -0.083 10.294 -0.803 1.00 0.65 H new ATOM 713 N ILE A 46 1.999 6.309 -0.848 1.00 0.42 N ATOM 714 CA ILE A 46 2.528 5.670 0.395 1.00 0.52 C ATOM 715 C ILE A 46 4.068 5.743 0.414 1.00 0.47 C ATOM 716 O ILE A 46 4.671 6.008 1.437 1.00 0.66 O ATOM 717 CB ILE A 46 1.987 4.208 0.463 1.00 0.85 C ATOM 718 CG1 ILE A 46 1.148 4.048 1.736 1.00 0.96 C ATOM 719 CG2 ILE A 46 3.098 3.147 0.454 1.00 1.89 C ATOM 720 CD1 ILE A 46 0.137 2.908 1.566 1.00 1.35 C ATOM 0 H ILE A 46 1.900 5.684 -1.648 1.00 0.42 H new ATOM 0 HA ILE A 46 2.186 6.200 1.284 1.00 0.52 H new ATOM 0 HB ILE A 46 1.388 4.045 -0.433 1.00 0.85 H new ATOM 0 HG12 ILE A 46 1.799 3.842 2.586 1.00 0.96 H new ATOM 0 HG13 ILE A 46 0.624 4.979 1.954 1.00 0.96 H new ATOM 0 HG21 ILE A 46 2.653 2.153 0.503 1.00 1.89 H new ATOM 0 HG22 ILE A 46 3.681 3.238 -0.462 1.00 1.89 H new ATOM 0 HG23 ILE A 46 3.750 3.295 1.315 1.00 1.89 H new ATOM 0 HD11 ILE A 46 -0.452 2.805 2.477 1.00 1.35 H new ATOM 0 HD12 ILE A 46 -0.525 3.131 0.729 1.00 1.35 H new ATOM 0 HD13 ILE A 46 0.668 1.977 1.371 1.00 1.35 H new ATOM 732 N ALA A 47 4.697 5.491 -0.702 1.00 0.43 N ATOM 733 CA ALA A 47 6.190 5.523 -0.757 1.00 0.49 C ATOM 734 C ALA A 47 6.698 6.914 -0.377 1.00 0.59 C ATOM 735 O ALA A 47 7.593 7.049 0.436 1.00 0.84 O ATOM 736 CB ALA A 47 6.649 5.152 -2.161 1.00 0.54 C ATOM 0 H ALA A 47 4.239 5.263 -1.584 1.00 0.43 H new ATOM 0 HA ALA A 47 6.598 4.804 -0.047 1.00 0.49 H new ATOM 0 HB1 ALA A 47 7.738 5.174 -2.206 1.00 0.54 H new ATOM 0 HB2 ALA A 47 6.296 4.150 -2.406 1.00 0.54 H new ATOM 0 HB3 ALA A 47 6.242 5.866 -2.877 1.00 0.54 H new ATOM 742 N LYS A 48 6.112 7.950 -0.924 1.00 0.56 N ATOM 743 CA LYS A 48 6.546 9.330 -0.550 1.00 0.78 C ATOM 744 C LYS A 48 6.140 9.569 0.910 1.00 0.78 C ATOM 745 O LYS A 48 6.770 10.313 1.636 1.00 0.95 O ATOM 746 CB LYS A 48 5.851 10.353 -1.453 1.00 0.89 C ATOM 747 CG LYS A 48 6.795 10.762 -2.585 1.00 1.63 C ATOM 748 CD LYS A 48 6.005 11.507 -3.663 1.00 1.73 C ATOM 749 CE LYS A 48 6.895 11.725 -4.887 1.00 2.61 C ATOM 750 NZ LYS A 48 6.041 11.893 -6.097 1.00 3.26 N ATOM 0 H LYS A 48 5.357 7.900 -1.608 1.00 0.56 H new ATOM 0 HA LYS A 48 7.624 9.437 -0.669 1.00 0.78 H new ATOM 0 HB2 LYS A 48 4.936 9.927 -1.865 1.00 0.89 H new ATOM 0 HB3 LYS A 48 5.562 11.229 -0.872 1.00 0.89 H new ATOM 0 HG2 LYS A 48 7.591 11.398 -2.197 1.00 1.63 H new ATOM 0 HG3 LYS A 48 7.271 9.880 -3.012 1.00 1.63 H new ATOM 0 HD2 LYS A 48 5.120 10.935 -3.941 1.00 1.73 H new ATOM 0 HD3 LYS A 48 5.657 12.465 -3.277 1.00 1.73 H new ATOM 0 HE2 LYS A 48 7.519 12.607 -4.744 1.00 2.61 H new ATOM 0 HE3 LYS A 48 7.567 10.877 -5.018 1.00 2.61 H new ATOM 0 HZ1 LYS A 48 6.645 12.041 -6.930 1.00 3.26 H new ATOM 0 HZ2 LYS A 48 5.463 11.039 -6.236 1.00 3.26 H new ATOM 0 HZ3 LYS A 48 5.418 12.716 -5.970 1.00 3.26 H new ATOM 764 N TYR A 49 5.096 8.905 1.343 1.00 0.71 N ATOM 765 CA TYR A 49 4.614 9.024 2.750 1.00 0.84 C ATOM 766 C TYR A 49 5.767 8.691 3.717 1.00 0.83 C ATOM 767 O TYR A 49 6.661 7.953 3.350 1.00 0.92 O ATOM 768 CB TYR A 49 3.491 7.987 2.922 1.00 1.14 C ATOM 769 CG TYR A 49 2.423 8.455 3.882 1.00 0.91 C ATOM 770 CD1 TYR A 49 1.968 9.779 3.856 1.00 1.70 C ATOM 771 CD2 TYR A 49 1.880 7.548 4.798 1.00 1.79 C ATOM 772 CE1 TYR A 49 0.977 10.192 4.749 1.00 2.00 C ATOM 773 CE2 TYR A 49 0.885 7.963 5.687 1.00 1.76 C ATOM 774 CZ TYR A 49 0.435 9.287 5.665 1.00 1.36 C ATOM 775 OH TYR A 49 -0.546 9.695 6.543 1.00 1.80 O ATOM 0 H TYR A 49 4.546 8.271 0.763 1.00 0.71 H new ATOM 0 HA TYR A 49 4.259 10.033 2.962 1.00 0.84 H new ATOM 0 HB2 TYR A 49 3.039 7.779 1.952 1.00 1.14 H new ATOM 0 HB3 TYR A 49 3.916 7.050 3.283 1.00 1.14 H new ATOM 0 HD1 TYR A 49 2.383 10.480 3.146 1.00 1.70 H new ATOM 0 HD2 TYR A 49 2.230 6.526 4.818 1.00 1.79 H new ATOM 0 HE1 TYR A 49 0.629 11.214 4.731 1.00 2.00 H new ATOM 0 HE2 TYR A 49 0.463 7.261 6.391 1.00 1.76 H new ATOM 0 HH TYR A 49 -0.158 10.302 7.207 1.00 1.80 H new ATOM 785 N PRO A 50 5.729 9.220 4.934 1.00 0.93 N ATOM 786 CA PRO A 50 6.785 8.934 5.917 1.00 1.07 C ATOM 787 C PRO A 50 6.825 7.433 6.253 1.00 1.14 C ATOM 788 O PRO A 50 7.748 6.981 6.899 1.00 1.36 O ATOM 789 CB PRO A 50 6.420 9.764 7.156 1.00 1.24 C ATOM 790 CG PRO A 50 5.169 10.602 6.804 1.00 1.24 C ATOM 791 CD PRO A 50 4.674 10.135 5.428 1.00 1.09 C ATOM 0 HA PRO A 50 7.774 9.190 5.537 1.00 1.07 H new ATOM 0 HB2 PRO A 50 6.218 9.114 8.007 1.00 1.24 H new ATOM 0 HB3 PRO A 50 7.248 10.413 7.440 1.00 1.24 H new ATOM 0 HG2 PRO A 50 4.393 10.467 7.557 1.00 1.24 H new ATOM 0 HG3 PRO A 50 5.412 11.664 6.784 1.00 1.24 H new ATOM 0 HD2 PRO A 50 3.714 9.625 5.506 1.00 1.09 H new ATOM 0 HD3 PRO A 50 4.534 10.978 4.752 1.00 1.09 H new ATOM 799 N HIS A 51 5.840 6.654 5.822 1.00 1.06 N ATOM 800 CA HIS A 51 5.832 5.186 6.107 1.00 1.24 C ATOM 801 C HIS A 51 5.404 4.929 7.552 1.00 1.30 C ATOM 802 O HIS A 51 5.410 5.814 8.386 1.00 1.88 O ATOM 803 CB HIS A 51 7.207 4.547 5.854 1.00 1.83 C ATOM 804 CG HIS A 51 7.776 5.047 4.552 1.00 1.42 C ATOM 805 ND1 HIS A 51 8.833 5.942 4.501 1.00 2.17 N ATOM 806 CD2 HIS A 51 7.446 4.783 3.247 1.00 2.27 C ATOM 807 CE1 HIS A 51 9.099 6.181 3.205 1.00 2.60 C ATOM 808 NE2 HIS A 51 8.282 5.499 2.397 1.00 2.86 N ATOM 0 H HIS A 51 5.041 6.986 5.282 1.00 1.06 H new ATOM 0 HA HIS A 51 5.116 4.726 5.426 1.00 1.24 H new ATOM 0 HB2 HIS A 51 7.885 4.787 6.673 1.00 1.83 H new ATOM 0 HB3 HIS A 51 7.113 3.461 5.826 1.00 1.83 H new ATOM 0 HD2 HIS A 51 6.656 4.119 2.928 1.00 2.27 H new ATOM 0 HE1 HIS A 51 9.878 6.844 2.859 1.00 2.60 H new ATOM 0 HE2 HIS A 51 8.273 5.503 1.377 1.00 2.86 H new ATOM 816 N LYS A 52 5.025 3.711 7.842 1.00 1.30 N ATOM 817 CA LYS A 52 4.577 3.344 9.215 1.00 1.59 C ATOM 818 C LYS A 52 3.304 4.117 9.569 1.00 1.62 C ATOM 819 O LYS A 52 3.120 5.250 9.166 1.00 2.28 O ATOM 820 CB LYS A 52 5.677 3.667 10.232 1.00 2.04 C ATOM 821 CG LYS A 52 5.463 2.833 11.498 1.00 2.88 C ATOM 822 CD LYS A 52 5.935 3.626 12.718 1.00 3.36 C ATOM 823 CE LYS A 52 6.365 2.658 13.821 1.00 4.26 C ATOM 824 NZ LYS A 52 5.162 1.983 14.385 1.00 5.95 N ATOM 0 H LYS A 52 5.008 2.943 7.171 1.00 1.30 H new ATOM 0 HA LYS A 52 4.369 2.274 9.244 1.00 1.59 H new ATOM 0 HB2 LYS A 52 6.657 3.453 9.804 1.00 2.04 H new ATOM 0 HB3 LYS A 52 5.661 4.729 10.476 1.00 2.04 H new ATOM 0 HG2 LYS A 52 4.409 2.577 11.603 1.00 2.88 H new ATOM 0 HG3 LYS A 52 6.013 1.895 11.426 1.00 2.88 H new ATOM 0 HD2 LYS A 52 6.767 4.274 12.444 1.00 3.36 H new ATOM 0 HD3 LYS A 52 5.134 4.271 13.078 1.00 3.36 H new ATOM 0 HE2 LYS A 52 7.057 1.917 13.420 1.00 4.26 H new ATOM 0 HE3 LYS A 52 6.895 3.197 14.607 1.00 4.26 H new ATOM 0 HZ1 LYS A 52 5.443 1.389 15.191 1.00 5.95 H new ATOM 0 HZ2 LYS A 52 4.480 2.700 14.705 1.00 5.95 H new ATOM 0 HZ3 LYS A 52 4.722 1.389 13.653 1.00 5.95 H new ATOM 838 N ILE A 53 2.424 3.503 10.319 1.00 1.97 N ATOM 839 CA ILE A 53 1.153 4.185 10.708 1.00 2.08 C ATOM 840 C ILE A 53 0.710 3.694 12.090 1.00 2.22 C ATOM 841 O ILE A 53 -0.078 2.775 12.212 1.00 2.96 O ATOM 842 CB ILE A 53 0.057 3.880 9.676 1.00 2.17 C ATOM 843 CG1 ILE A 53 0.058 2.388 9.320 1.00 2.57 C ATOM 844 CG2 ILE A 53 0.313 4.698 8.409 1.00 2.09 C ATOM 845 CD1 ILE A 53 -1.210 2.049 8.532 1.00 3.11 C ATOM 0 H ILE A 53 2.532 2.555 10.680 1.00 1.97 H new ATOM 0 HA ILE A 53 1.321 5.262 10.741 1.00 2.08 H new ATOM 0 HB ILE A 53 -0.911 4.143 10.103 1.00 2.17 H new ATOM 0 HG12 ILE A 53 0.941 2.145 8.730 1.00 2.57 H new ATOM 0 HG13 ILE A 53 0.106 1.787 10.228 1.00 2.57 H new ATOM 0 HG21 ILE A 53 -0.463 4.484 7.674 1.00 2.09 H new ATOM 0 HG22 ILE A 53 0.299 5.760 8.653 1.00 2.09 H new ATOM 0 HG23 ILE A 53 1.286 4.434 7.996 1.00 2.09 H new ATOM 0 HD11 ILE A 53 -1.209 0.989 8.279 1.00 3.11 H new ATOM 0 HD12 ILE A 53 -2.087 2.277 9.138 1.00 3.11 H new ATOM 0 HD13 ILE A 53 -1.238 2.640 7.617 1.00 3.11 H new ATOM 857 N LYS A 54 1.217 4.302 13.133 1.00 1.82 N ATOM 858 CA LYS A 54 0.838 3.882 14.514 1.00 2.07 C ATOM 859 C LYS A 54 -0.666 4.077 14.722 1.00 2.34 C ATOM 860 O LYS A 54 -1.315 3.289 15.386 1.00 2.89 O ATOM 861 CB LYS A 54 1.604 4.730 15.533 1.00 2.22 C ATOM 862 CG LYS A 54 1.402 4.152 16.935 1.00 3.20 C ATOM 863 CD LYS A 54 2.243 4.941 17.940 1.00 3.47 C ATOM 864 CE LYS A 54 2.311 4.174 19.262 1.00 4.48 C ATOM 865 NZ LYS A 54 1.041 4.370 20.016 1.00 5.28 N ATOM 0 H LYS A 54 1.881 5.075 13.085 1.00 1.82 H new ATOM 0 HA LYS A 54 1.088 2.830 14.649 1.00 2.07 H new ATOM 0 HB2 LYS A 54 2.665 4.746 15.284 1.00 2.22 H new ATOM 0 HB3 LYS A 54 1.254 5.762 15.500 1.00 2.22 H new ATOM 0 HG2 LYS A 54 0.348 4.199 17.211 1.00 3.20 H new ATOM 0 HG3 LYS A 54 1.689 3.101 16.951 1.00 3.20 H new ATOM 0 HD2 LYS A 54 3.247 5.098 17.546 1.00 3.47 H new ATOM 0 HD3 LYS A 54 1.806 5.927 18.101 1.00 3.47 H new ATOM 0 HE2 LYS A 54 2.473 3.113 19.071 1.00 4.48 H new ATOM 0 HE3 LYS A 54 3.156 4.524 19.855 1.00 4.48 H new ATOM 0 HZ1 LYS A 54 1.087 3.849 20.915 1.00 5.28 H new ATOM 0 HZ2 LYS A 54 0.905 5.383 20.210 1.00 5.28 H new ATOM 0 HZ3 LYS A 54 0.243 4.016 19.451 1.00 5.28 H new ATOM 879 N SER A 55 -1.221 5.120 14.162 1.00 2.34 N ATOM 880 CA SER A 55 -2.682 5.377 14.326 1.00 2.85 C ATOM 881 C SER A 55 -3.479 4.388 13.471 1.00 2.62 C ATOM 882 O SER A 55 -4.509 3.890 13.885 1.00 4.03 O ATOM 883 CB SER A 55 -3.002 6.805 13.884 1.00 3.08 C ATOM 884 OG SER A 55 -2.571 7.715 14.889 1.00 4.05 O ATOM 0 H SER A 55 -0.723 5.807 13.596 1.00 2.34 H new ATOM 0 HA SER A 55 -2.955 5.250 15.374 1.00 2.85 H new ATOM 0 HB2 SER A 55 -2.505 7.026 12.940 1.00 3.08 H new ATOM 0 HB3 SER A 55 -4.073 6.914 13.713 1.00 3.08 H new ATOM 0 HG SER A 55 -2.773 8.632 14.608 1.00 4.05 H new ATOM 890 N GLY A 56 -3.011 4.104 12.281 1.00 1.83 N ATOM 891 CA GLY A 56 -3.738 3.151 11.391 1.00 1.69 C ATOM 892 C GLY A 56 -4.604 3.935 10.404 1.00 1.23 C ATOM 893 O GLY A 56 -4.723 3.576 9.248 1.00 1.33 O ATOM 0 H GLY A 56 -2.154 4.493 11.888 1.00 1.83 H new ATOM 0 HA2 GLY A 56 -3.027 2.526 10.851 1.00 1.69 H new ATOM 0 HA3 GLY A 56 -4.360 2.483 11.987 1.00 1.69 H new ATOM 897 N ALA A 57 -5.208 5.006 10.855 1.00 1.08 N ATOM 898 CA ALA A 57 -6.065 5.827 9.952 1.00 0.97 C ATOM 899 C ALA A 57 -5.195 6.594 8.942 1.00 0.81 C ATOM 900 O ALA A 57 -5.706 7.197 8.016 1.00 0.85 O ATOM 901 CB ALA A 57 -6.869 6.825 10.787 1.00 1.28 C ATOM 0 H ALA A 57 -5.143 5.347 11.814 1.00 1.08 H new ATOM 0 HA ALA A 57 -6.741 5.167 9.408 1.00 0.97 H new ATOM 0 HB1 ALA A 57 -7.497 7.427 10.130 1.00 1.28 H new ATOM 0 HB2 ALA A 57 -7.498 6.284 11.494 1.00 1.28 H new ATOM 0 HB3 ALA A 57 -6.186 7.476 11.333 1.00 1.28 H new ATOM 907 N GLU A 58 -3.889 6.580 9.107 1.00 0.77 N ATOM 908 CA GLU A 58 -2.994 7.310 8.157 1.00 0.71 C ATOM 909 C GLU A 58 -3.239 6.815 6.724 1.00 0.61 C ATOM 910 O GLU A 58 -3.609 7.577 5.854 1.00 0.68 O ATOM 911 CB GLU A 58 -1.533 7.054 8.551 1.00 0.85 C ATOM 912 CG GLU A 58 -0.942 8.309 9.201 1.00 1.54 C ATOM 913 CD GLU A 58 -1.446 8.424 10.641 1.00 2.33 C ATOM 914 OE1 GLU A 58 -0.825 7.840 11.514 1.00 3.09 O ATOM 915 OE2 GLU A 58 -2.444 9.095 10.845 1.00 3.55 O ATOM 0 H GLU A 58 -3.407 6.092 9.862 1.00 0.77 H new ATOM 0 HA GLU A 58 -3.206 8.378 8.202 1.00 0.71 H new ATOM 0 HB2 GLU A 58 -1.475 6.214 9.243 1.00 0.85 H new ATOM 0 HB3 GLU A 58 -0.952 6.782 7.670 1.00 0.85 H new ATOM 0 HG2 GLU A 58 0.147 8.259 9.189 1.00 1.54 H new ATOM 0 HG3 GLU A 58 -1.227 9.194 8.633 1.00 1.54 H new ATOM 922 N ALA A 59 -3.042 5.545 6.481 1.00 0.72 N ATOM 923 CA ALA A 59 -3.268 4.995 5.110 1.00 0.74 C ATOM 924 C ALA A 59 -4.731 5.205 4.692 1.00 0.86 C ATOM 925 O ALA A 59 -5.060 5.138 3.522 1.00 1.04 O ATOM 926 CB ALA A 59 -2.951 3.498 5.108 1.00 1.06 C ATOM 0 H ALA A 59 -2.734 4.863 7.174 1.00 0.72 H new ATOM 0 HA ALA A 59 -2.618 5.513 4.405 1.00 0.74 H new ATOM 0 HB1 ALA A 59 -3.115 3.093 4.109 1.00 1.06 H new ATOM 0 HB2 ALA A 59 -1.911 3.346 5.395 1.00 1.06 H new ATOM 0 HB3 ALA A 59 -3.602 2.987 5.818 1.00 1.06 H new ATOM 932 N LYS A 60 -5.612 5.446 5.635 1.00 0.93 N ATOM 933 CA LYS A 60 -7.051 5.645 5.293 1.00 1.22 C ATOM 934 C LYS A 60 -7.263 7.034 4.673 1.00 1.20 C ATOM 935 O LYS A 60 -8.065 7.193 3.770 1.00 1.50 O ATOM 936 CB LYS A 60 -7.895 5.512 6.570 1.00 1.43 C ATOM 937 CG LYS A 60 -8.980 4.449 6.371 1.00 1.95 C ATOM 938 CD LYS A 60 -10.035 4.972 5.395 1.00 2.25 C ATOM 939 CE LYS A 60 -11.371 4.278 5.668 1.00 2.72 C ATOM 940 NZ LYS A 60 -12.391 4.764 4.698 1.00 3.91 N ATOM 0 H LYS A 60 -5.392 5.513 6.629 1.00 0.93 H new ATOM 0 HA LYS A 60 -7.356 4.890 4.569 1.00 1.22 H new ATOM 0 HB2 LYS A 60 -7.257 5.240 7.411 1.00 1.43 H new ATOM 0 HB3 LYS A 60 -8.353 6.470 6.815 1.00 1.43 H new ATOM 0 HG2 LYS A 60 -8.537 3.530 5.986 1.00 1.95 H new ATOM 0 HG3 LYS A 60 -9.443 4.204 7.327 1.00 1.95 H new ATOM 0 HD2 LYS A 60 -10.144 6.051 5.505 1.00 2.25 H new ATOM 0 HD3 LYS A 60 -9.720 4.786 4.368 1.00 2.25 H new ATOM 0 HE2 LYS A 60 -11.256 3.198 5.580 1.00 2.72 H new ATOM 0 HE3 LYS A 60 -11.697 4.482 6.688 1.00 2.72 H new ATOM 0 HZ1 LYS A 60 -13.299 4.292 4.884 1.00 3.91 H new ATOM 0 HZ2 LYS A 60 -12.507 5.792 4.802 1.00 3.91 H new ATOM 0 HZ3 LYS A 60 -12.080 4.547 3.730 1.00 3.91 H new ATOM 954 N LYS A 61 -6.571 8.040 5.155 1.00 1.01 N ATOM 955 CA LYS A 61 -6.760 9.412 4.590 1.00 1.26 C ATOM 956 C LYS A 61 -6.013 9.548 3.252 1.00 1.17 C ATOM 957 O LYS A 61 -6.332 10.403 2.447 1.00 1.33 O ATOM 958 CB LYS A 61 -6.278 10.474 5.604 1.00 1.40 C ATOM 959 CG LYS A 61 -4.745 10.560 5.642 1.00 1.35 C ATOM 960 CD LYS A 61 -4.287 10.944 7.050 1.00 1.88 C ATOM 961 CE LYS A 61 -3.014 11.788 6.962 1.00 2.17 C ATOM 962 NZ LYS A 61 -3.021 12.811 8.046 1.00 2.93 N ATOM 0 H LYS A 61 -5.889 7.970 5.910 1.00 1.01 H new ATOM 0 HA LYS A 61 -7.821 9.575 4.401 1.00 1.26 H new ATOM 0 HB2 LYS A 61 -6.692 11.447 5.338 1.00 1.40 H new ATOM 0 HB3 LYS A 61 -6.655 10.228 6.597 1.00 1.40 H new ATOM 0 HG2 LYS A 61 -4.310 9.603 5.356 1.00 1.35 H new ATOM 0 HG3 LYS A 61 -4.394 11.298 4.921 1.00 1.35 H new ATOM 0 HD2 LYS A 61 -5.072 11.503 7.559 1.00 1.88 H new ATOM 0 HD3 LYS A 61 -4.101 10.047 7.640 1.00 1.88 H new ATOM 0 HE2 LYS A 61 -2.135 11.150 7.055 1.00 2.17 H new ATOM 0 HE3 LYS A 61 -2.954 12.274 5.988 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 -2.156 13.385 7.987 1.00 2.93 H new ATOM 0 HZ2 LYS A 61 -3.853 13.426 7.938 1.00 2.93 H new ATOM 0 HZ3 LYS A 61 -3.059 12.337 8.971 1.00 2.93 H new ATOM 976 N LEU A 62 -5.025 8.714 3.006 1.00 0.97 N ATOM 977 CA LEU A 62 -4.268 8.807 1.716 1.00 0.97 C ATOM 978 C LEU A 62 -5.254 8.660 0.534 1.00 1.13 C ATOM 979 O LEU A 62 -5.809 7.596 0.352 1.00 1.38 O ATOM 980 CB LEU A 62 -3.227 7.677 1.628 1.00 0.97 C ATOM 981 CG LEU A 62 -2.347 7.623 2.888 1.00 1.03 C ATOM 982 CD1 LEU A 62 -1.239 6.588 2.676 1.00 1.06 C ATOM 983 CD2 LEU A 62 -1.708 8.994 3.162 1.00 1.21 C ATOM 0 H LEU A 62 -4.713 7.978 3.640 1.00 0.97 H new ATOM 0 HA LEU A 62 -3.763 9.772 1.674 1.00 0.97 H new ATOM 0 HB2 LEU A 62 -3.735 6.722 1.497 1.00 0.97 H new ATOM 0 HB3 LEU A 62 -2.599 7.827 0.750 1.00 0.97 H new ATOM 0 HG LEU A 62 -2.968 7.348 3.741 1.00 1.03 H new ATOM 0 HD11 LEU A 62 -0.609 6.542 3.564 1.00 1.06 H new ATOM 0 HD12 LEU A 62 -1.685 5.610 2.496 1.00 1.06 H new ATOM 0 HD13 LEU A 62 -0.633 6.874 1.816 1.00 1.06 H new ATOM 0 HD21 LEU A 62 -1.089 8.935 4.057 1.00 1.21 H new ATOM 0 HD22 LEU A 62 -1.090 9.284 2.312 1.00 1.21 H new ATOM 0 HD23 LEU A 62 -2.491 9.737 3.311 1.00 1.21 H new ATOM 995 N PRO A 63 -5.464 9.715 -0.243 1.00 1.18 N ATOM 996 CA PRO A 63 -6.395 9.644 -1.385 1.00 1.40 C ATOM 997 C PRO A 63 -5.934 8.573 -2.380 1.00 1.51 C ATOM 998 O PRO A 63 -6.732 7.989 -3.088 1.00 2.75 O ATOM 999 CB PRO A 63 -6.351 11.040 -2.027 1.00 1.55 C ATOM 1000 CG PRO A 63 -5.368 11.906 -1.201 1.00 1.60 C ATOM 1001 CD PRO A 63 -4.813 11.034 -0.066 1.00 1.30 C ATOM 0 HA PRO A 63 -7.405 9.373 -1.077 1.00 1.40 H new ATOM 0 HB2 PRO A 63 -6.024 10.974 -3.065 1.00 1.55 H new ATOM 0 HB3 PRO A 63 -7.344 11.489 -2.034 1.00 1.55 H new ATOM 0 HG2 PRO A 63 -4.558 12.272 -1.832 1.00 1.60 H new ATOM 0 HG3 PRO A 63 -5.877 12.781 -0.796 1.00 1.60 H new ATOM 0 HD2 PRO A 63 -3.728 10.950 -0.127 1.00 1.30 H new ATOM 0 HD3 PRO A 63 -5.045 11.461 0.910 1.00 1.30 H new ATOM 1009 N GLY A 64 -4.651 8.317 -2.434 1.00 1.81 N ATOM 1010 CA GLY A 64 -4.129 7.288 -3.378 1.00 2.23 C ATOM 1011 C GLY A 64 -4.351 5.889 -2.797 1.00 1.89 C ATOM 1012 O GLY A 64 -4.475 4.922 -3.525 1.00 2.06 O ATOM 0 H GLY A 64 -3.943 8.778 -1.863 1.00 1.81 H new ATOM 0 HA2 GLY A 64 -4.633 7.376 -4.341 1.00 2.23 H new ATOM 0 HA3 GLY A 64 -3.067 7.452 -3.558 1.00 2.23 H new ATOM 1016 N VAL A 65 -4.394 5.772 -1.492 1.00 1.63 N ATOM 1017 CA VAL A 65 -4.599 4.429 -0.862 1.00 1.53 C ATOM 1018 C VAL A 65 -6.016 4.348 -0.290 1.00 1.55 C ATOM 1019 O VAL A 65 -6.708 5.344 -0.181 1.00 2.24 O ATOM 1020 CB VAL A 65 -3.581 4.204 0.271 1.00 1.58 C ATOM 1021 CG1 VAL A 65 -3.475 2.703 0.560 1.00 1.71 C ATOM 1022 CG2 VAL A 65 -2.195 4.740 -0.131 1.00 1.89 C ATOM 0 H VAL A 65 -4.296 6.547 -0.836 1.00 1.63 H new ATOM 0 HA VAL A 65 -4.458 3.660 -1.621 1.00 1.53 H new ATOM 0 HB VAL A 65 -3.920 4.737 1.159 1.00 1.58 H new ATOM 0 HG11 VAL A 65 -2.755 2.537 1.362 1.00 1.71 H new ATOM 0 HG12 VAL A 65 -4.450 2.321 0.863 1.00 1.71 H new ATOM 0 HG13 VAL A 65 -3.144 2.182 -0.338 1.00 1.71 H new ATOM 0 HG21 VAL A 65 -1.490 4.572 0.683 1.00 1.89 H new ATOM 0 HG22 VAL A 65 -1.849 4.220 -1.024 1.00 1.89 H new ATOM 0 HG23 VAL A 65 -2.264 5.808 -0.336 1.00 1.89 H new ATOM 1032 N GLY A 66 -6.453 3.170 0.074 1.00 1.64 N ATOM 1033 CA GLY A 66 -7.826 3.015 0.640 1.00 1.84 C ATOM 1034 C GLY A 66 -8.422 1.690 0.166 1.00 1.95 C ATOM 1035 O GLY A 66 -7.713 0.807 -0.279 1.00 3.44 O ATOM 0 H GLY A 66 -5.916 2.306 0.003 1.00 1.64 H new ATOM 0 HA2 GLY A 66 -7.788 3.041 1.729 1.00 1.84 H new ATOM 0 HA3 GLY A 66 -8.458 3.845 0.324 1.00 1.84 H new ATOM 1039 N THR A 67 -9.722 1.543 0.257 1.00 1.44 N ATOM 1040 CA THR A 67 -10.375 0.274 -0.190 1.00 2.09 C ATOM 1041 C THR A 67 -9.825 -0.900 0.635 1.00 1.38 C ATOM 1042 O THR A 67 -9.321 -0.712 1.726 1.00 2.22 O ATOM 1043 CB THR A 67 -10.092 0.051 -1.685 1.00 3.49 C ATOM 1044 OG1 THR A 67 -9.811 1.298 -2.308 1.00 3.89 O ATOM 1045 CG2 THR A 67 -11.315 -0.585 -2.349 1.00 4.61 C ATOM 0 H THR A 67 -10.360 2.250 0.623 1.00 1.44 H new ATOM 0 HA THR A 67 -11.453 0.341 -0.040 1.00 2.09 H new ATOM 0 HB THR A 67 -9.233 -0.612 -1.794 1.00 3.49 H new ATOM 0 HG1 THR A 67 -9.629 1.154 -3.260 1.00 3.89 H new ATOM 0 HG21 THR A 67 -11.113 -0.742 -3.408 1.00 4.61 H new ATOM 0 HG22 THR A 67 -11.530 -1.542 -1.874 1.00 4.61 H new ATOM 0 HG23 THR A 67 -12.174 0.076 -2.238 1.00 4.61 H new ATOM 1053 N LYS A 68 -9.922 -2.105 0.127 1.00 1.57 N ATOM 1054 CA LYS A 68 -9.409 -3.288 0.881 1.00 1.23 C ATOM 1055 C LYS A 68 -7.883 -3.209 1.026 1.00 0.99 C ATOM 1056 O LYS A 68 -7.309 -3.841 1.889 1.00 0.98 O ATOM 1057 CB LYS A 68 -9.780 -4.567 0.125 1.00 2.13 C ATOM 1058 CG LYS A 68 -11.097 -5.123 0.672 1.00 2.60 C ATOM 1059 CD LYS A 68 -11.317 -6.536 0.126 1.00 3.13 C ATOM 1060 CE LYS A 68 -12.054 -7.377 1.170 1.00 4.37 C ATOM 1061 NZ LYS A 68 -11.687 -8.812 1.000 1.00 5.46 N ATOM 0 H LYS A 68 -10.336 -2.319 -0.780 1.00 1.57 H new ATOM 0 HA LYS A 68 -9.858 -3.297 1.874 1.00 1.23 H new ATOM 0 HB2 LYS A 68 -9.877 -4.357 -0.940 1.00 2.13 H new ATOM 0 HB3 LYS A 68 -8.988 -5.308 0.233 1.00 2.13 H new ATOM 0 HG2 LYS A 68 -11.072 -5.142 1.762 1.00 2.60 H new ATOM 0 HG3 LYS A 68 -11.926 -4.476 0.383 1.00 2.60 H new ATOM 0 HD2 LYS A 68 -11.895 -6.495 -0.797 1.00 3.13 H new ATOM 0 HD3 LYS A 68 -10.360 -6.996 -0.118 1.00 3.13 H new ATOM 0 HE2 LYS A 68 -11.794 -7.040 2.174 1.00 4.37 H new ATOM 0 HE3 LYS A 68 -13.131 -7.250 1.060 1.00 4.37 H new ATOM 0 HZ1 LYS A 68 -12.188 -9.385 1.709 1.00 5.46 H new ATOM 0 HZ2 LYS A 68 -11.956 -9.129 0.047 1.00 5.46 H new ATOM 0 HZ3 LYS A 68 -10.661 -8.925 1.125 1.00 5.46 H new ATOM 1075 N ILE A 69 -7.223 -2.449 0.187 1.00 0.98 N ATOM 1076 CA ILE A 69 -5.734 -2.343 0.280 1.00 0.79 C ATOM 1077 C ILE A 69 -5.331 -1.726 1.627 1.00 0.71 C ATOM 1078 O ILE A 69 -4.224 -1.916 2.092 1.00 0.61 O ATOM 1079 CB ILE A 69 -5.214 -1.464 -0.863 1.00 0.83 C ATOM 1080 CG1 ILE A 69 -5.679 -2.043 -2.202 1.00 0.97 C ATOM 1081 CG2 ILE A 69 -3.684 -1.424 -0.833 1.00 0.84 C ATOM 1082 CD1 ILE A 69 -5.978 -0.902 -3.175 1.00 1.83 C ATOM 0 H ILE A 69 -7.651 -1.898 -0.557 1.00 0.98 H new ATOM 0 HA ILE A 69 -5.300 -3.340 0.203 1.00 0.79 H new ATOM 0 HB ILE A 69 -5.603 -0.453 -0.744 1.00 0.83 H new ATOM 0 HG12 ILE A 69 -4.909 -2.695 -2.615 1.00 0.97 H new ATOM 0 HG13 ILE A 69 -6.570 -2.654 -2.056 1.00 0.97 H new ATOM 0 HG21 ILE A 69 -3.320 -0.798 -1.648 1.00 0.84 H new ATOM 0 HG22 ILE A 69 -3.349 -1.012 0.119 1.00 0.84 H new ATOM 0 HG23 ILE A 69 -3.291 -2.434 -0.949 1.00 0.84 H new ATOM 0 HD11 ILE A 69 -6.309 -1.314 -4.128 1.00 1.83 H new ATOM 0 HD12 ILE A 69 -6.762 -0.268 -2.762 1.00 1.83 H new ATOM 0 HD13 ILE A 69 -5.076 -0.310 -3.329 1.00 1.83 H new ATOM 1094 N ALA A 70 -6.214 -0.984 2.251 1.00 0.83 N ATOM 1095 CA ALA A 70 -5.877 -0.346 3.562 1.00 0.82 C ATOM 1096 C ALA A 70 -5.456 -1.411 4.582 1.00 0.66 C ATOM 1097 O ALA A 70 -4.434 -1.283 5.233 1.00 0.68 O ATOM 1098 CB ALA A 70 -7.099 0.407 4.089 1.00 1.05 C ATOM 0 H ALA A 70 -7.155 -0.793 1.908 1.00 0.83 H new ATOM 0 HA ALA A 70 -5.049 0.348 3.414 1.00 0.82 H new ATOM 0 HB1 ALA A 70 -6.856 0.872 5.044 1.00 1.05 H new ATOM 0 HB2 ALA A 70 -7.389 1.177 3.374 1.00 1.05 H new ATOM 0 HB3 ALA A 70 -7.925 -0.291 4.226 1.00 1.05 H new ATOM 1104 N GLU A 71 -6.232 -2.460 4.729 1.00 0.79 N ATOM 1105 CA GLU A 71 -5.869 -3.530 5.711 1.00 0.82 C ATOM 1106 C GLU A 71 -4.514 -4.137 5.333 1.00 0.66 C ATOM 1107 O GLU A 71 -3.789 -4.622 6.181 1.00 0.67 O ATOM 1108 CB GLU A 71 -6.943 -4.623 5.717 1.00 1.16 C ATOM 1109 CG GLU A 71 -7.188 -5.120 4.291 1.00 2.00 C ATOM 1110 CD GLU A 71 -7.465 -6.625 4.311 1.00 2.93 C ATOM 1111 OE1 GLU A 71 -8.604 -6.995 4.544 1.00 3.36 O ATOM 1112 OE2 GLU A 71 -6.532 -7.382 4.092 1.00 4.14 O ATOM 0 H GLU A 71 -7.097 -2.620 4.213 1.00 0.79 H new ATOM 0 HA GLU A 71 -5.804 -3.093 6.707 1.00 0.82 H new ATOM 0 HB2 GLU A 71 -6.627 -5.452 6.351 1.00 1.16 H new ATOM 0 HB3 GLU A 71 -7.869 -4.233 6.140 1.00 1.16 H new ATOM 0 HG2 GLU A 71 -8.033 -4.591 3.851 1.00 2.00 H new ATOM 0 HG3 GLU A 71 -6.319 -4.908 3.667 1.00 2.00 H new ATOM 1119 N LYS A 72 -4.165 -4.103 4.070 1.00 0.67 N ATOM 1120 CA LYS A 72 -2.852 -4.665 3.637 1.00 0.70 C ATOM 1121 C LYS A 72 -1.734 -3.763 4.160 1.00 0.67 C ATOM 1122 O LYS A 72 -0.681 -4.228 4.555 1.00 0.77 O ATOM 1123 CB LYS A 72 -2.796 -4.720 2.108 1.00 0.88 C ATOM 1124 CG LYS A 72 -3.188 -6.118 1.629 1.00 1.30 C ATOM 1125 CD LYS A 72 -3.847 -6.019 0.253 1.00 2.05 C ATOM 1126 CE LYS A 72 -4.208 -7.420 -0.243 1.00 2.50 C ATOM 1127 NZ LYS A 72 -5.485 -7.857 0.388 1.00 3.46 N ATOM 0 H LYS A 72 -4.735 -3.709 3.321 1.00 0.67 H new ATOM 0 HA LYS A 72 -2.731 -5.673 4.034 1.00 0.70 H new ATOM 0 HB2 LYS A 72 -3.470 -3.977 1.683 1.00 0.88 H new ATOM 0 HB3 LYS A 72 -1.792 -4.475 1.762 1.00 0.88 H new ATOM 0 HG2 LYS A 72 -2.306 -6.757 1.577 1.00 1.30 H new ATOM 0 HG3 LYS A 72 -3.874 -6.579 2.340 1.00 1.30 H new ATOM 0 HD2 LYS A 72 -4.743 -5.400 0.311 1.00 2.05 H new ATOM 0 HD3 LYS A 72 -3.171 -5.535 -0.452 1.00 2.05 H new ATOM 0 HE2 LYS A 72 -4.308 -7.418 -1.328 1.00 2.50 H new ATOM 0 HE3 LYS A 72 -3.410 -8.121 0.002 1.00 2.50 H new ATOM 0 HZ1 LYS A 72 -5.731 -8.810 0.051 1.00 3.46 H new ATOM 0 HZ2 LYS A 72 -5.373 -7.874 1.422 1.00 3.46 H new ATOM 0 HZ3 LYS A 72 -6.244 -7.193 0.132 1.00 3.46 H new ATOM 1141 N ILE A 73 -1.964 -2.473 4.176 1.00 0.62 N ATOM 1142 CA ILE A 73 -0.928 -1.523 4.683 1.00 0.66 C ATOM 1143 C ILE A 73 -0.639 -1.844 6.149 1.00 0.66 C ATOM 1144 O ILE A 73 0.476 -1.717 6.615 1.00 0.83 O ATOM 1145 CB ILE A 73 -1.439 -0.082 4.554 1.00 0.67 C ATOM 1146 CG1 ILE A 73 -1.907 0.195 3.114 1.00 0.93 C ATOM 1147 CG2 ILE A 73 -0.319 0.894 4.919 1.00 0.79 C ATOM 1148 CD1 ILE A 73 -0.771 -0.072 2.120 1.00 1.04 C ATOM 0 H ILE A 73 -2.829 -2.036 3.858 1.00 0.62 H new ATOM 0 HA ILE A 73 -0.014 -1.625 4.098 1.00 0.66 H new ATOM 0 HB ILE A 73 -2.282 0.052 5.232 1.00 0.67 H new ATOM 0 HG12 ILE A 73 -2.763 -0.437 2.876 1.00 0.93 H new ATOM 0 HG13 ILE A 73 -2.240 1.229 3.026 1.00 0.93 H new ATOM 0 HG21 ILE A 73 -0.684 1.917 4.827 1.00 0.79 H new ATOM 0 HG22 ILE A 73 0.001 0.714 5.945 1.00 0.79 H new ATOM 0 HG23 ILE A 73 0.525 0.748 4.245 1.00 0.79 H new ATOM 0 HD11 ILE A 73 -1.119 0.129 1.107 1.00 1.04 H new ATOM 0 HD12 ILE A 73 0.073 0.578 2.349 1.00 1.04 H new ATOM 0 HD13 ILE A 73 -0.458 -1.113 2.196 1.00 1.04 H new ATOM 1160 N ASP A 74 -1.640 -2.282 6.868 1.00 0.65 N ATOM 1161 CA ASP A 74 -1.437 -2.642 8.299 1.00 0.82 C ATOM 1162 C ASP A 74 -0.809 -4.039 8.379 1.00 0.92 C ATOM 1163 O ASP A 74 -0.157 -4.378 9.347 1.00 1.10 O ATOM 1164 CB ASP A 74 -2.785 -2.646 9.022 1.00 0.89 C ATOM 1165 CG ASP A 74 -3.008 -1.290 9.695 1.00 1.54 C ATOM 1166 OD1 ASP A 74 -2.050 -0.746 10.219 1.00 2.66 O ATOM 1167 OD2 ASP A 74 -4.133 -0.819 9.675 1.00 2.24 O ATOM 0 H ASP A 74 -2.592 -2.405 6.522 1.00 0.65 H new ATOM 0 HA ASP A 74 -0.778 -1.914 8.772 1.00 0.82 H new ATOM 0 HB2 ASP A 74 -3.589 -2.849 8.314 1.00 0.89 H new ATOM 0 HB3 ASP A 74 -2.808 -3.442 9.767 1.00 0.89 H new ATOM 1172 N GLU A 75 -1.006 -4.853 7.367 1.00 0.88 N ATOM 1173 CA GLU A 75 -0.430 -6.230 7.375 1.00 1.04 C ATOM 1174 C GLU A 75 1.096 -6.164 7.484 1.00 1.15 C ATOM 1175 O GLU A 75 1.697 -6.908 8.238 1.00 1.25 O ATOM 1176 CB GLU A 75 -0.815 -6.951 6.081 1.00 1.07 C ATOM 1177 CG GLU A 75 -0.870 -8.459 6.336 1.00 1.45 C ATOM 1178 CD GLU A 75 0.530 -9.055 6.179 1.00 2.95 C ATOM 1179 OE1 GLU A 75 0.864 -9.449 5.074 1.00 4.06 O ATOM 1180 OE2 GLU A 75 1.242 -9.110 7.167 1.00 4.02 O ATOM 0 H GLU A 75 -1.544 -4.618 6.533 1.00 0.88 H new ATOM 0 HA GLU A 75 -0.825 -6.774 8.233 1.00 1.04 H new ATOM 0 HB2 GLU A 75 -1.783 -6.595 5.728 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -0.089 -6.730 5.299 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -1.250 -8.655 7.339 1.00 1.45 H new ATOM 0 HG3 GLU A 75 -1.559 -8.932 5.636 1.00 1.45 H new ATOM 1187 N PHE A 76 1.729 -5.280 6.748 1.00 1.17 N ATOM 1188 CA PHE A 76 3.227 -5.182 6.834 1.00 1.33 C ATOM 1189 C PHE A 76 3.574 -4.302 8.032 1.00 1.44 C ATOM 1190 O PHE A 76 4.571 -4.500 8.701 1.00 1.60 O ATOM 1191 CB PHE A 76 3.881 -4.544 5.570 1.00 1.65 C ATOM 1192 CG PHE A 76 2.899 -4.305 4.448 1.00 1.32 C ATOM 1193 CD1 PHE A 76 2.164 -5.359 3.901 1.00 2.37 C ATOM 1194 CD2 PHE A 76 2.738 -3.005 3.953 1.00 2.04 C ATOM 1195 CE1 PHE A 76 1.267 -5.111 2.856 1.00 2.48 C ATOM 1196 CE2 PHE A 76 1.841 -2.756 2.914 1.00 2.40 C ATOM 1197 CZ PHE A 76 1.104 -3.809 2.363 1.00 1.98 C ATOM 0 H PHE A 76 1.284 -4.630 6.100 1.00 1.17 H new ATOM 0 HA PHE A 76 3.613 -6.197 6.925 1.00 1.33 H new ATOM 0 HB2 PHE A 76 4.343 -3.597 5.847 1.00 1.65 H new ATOM 0 HB3 PHE A 76 4.679 -5.196 5.213 1.00 1.65 H new ATOM 0 HD1 PHE A 76 2.287 -6.362 4.283 1.00 2.37 H new ATOM 0 HD2 PHE A 76 3.310 -2.193 4.377 1.00 2.04 H new ATOM 0 HE1 PHE A 76 0.699 -5.924 2.429 1.00 2.48 H new ATOM 0 HE2 PHE A 76 1.716 -1.752 2.536 1.00 2.40 H new ATOM 0 HZ PHE A 76 0.410 -3.619 1.558 1.00 1.98 H new ATOM 1207 N LEU A 77 2.764 -3.308 8.277 1.00 1.50 N ATOM 1208 CA LEU A 77 3.032 -2.367 9.396 1.00 1.77 C ATOM 1209 C LEU A 77 2.346 -2.843 10.685 1.00 1.75 C ATOM 1210 O LEU A 77 2.141 -2.069 11.601 1.00 2.07 O ATOM 1211 CB LEU A 77 2.503 -0.981 8.999 1.00 1.96 C ATOM 1212 CG LEU A 77 3.465 -0.299 8.006 1.00 1.88 C ATOM 1213 CD1 LEU A 77 4.826 -0.092 8.671 1.00 2.49 C ATOM 1214 CD2 LEU A 77 3.652 -1.160 6.753 1.00 3.26 C ATOM 0 H LEU A 77 1.919 -3.108 7.742 1.00 1.50 H new ATOM 0 HA LEU A 77 4.104 -2.322 9.586 1.00 1.77 H new ATOM 0 HB2 LEU A 77 1.515 -1.078 8.549 1.00 1.96 H new ATOM 0 HB3 LEU A 77 2.389 -0.361 9.888 1.00 1.96 H new ATOM 0 HG LEU A 77 3.036 0.661 7.718 1.00 1.88 H new ATOM 0 HD11 LEU A 77 5.505 0.390 7.968 1.00 2.49 H new ATOM 0 HD12 LEU A 77 4.708 0.539 9.552 1.00 2.49 H new ATOM 0 HD13 LEU A 77 5.236 -1.057 8.968 1.00 2.49 H new ATOM 0 HD21 LEU A 77 4.335 -0.660 6.066 1.00 3.26 H new ATOM 0 HD22 LEU A 77 4.066 -2.128 7.035 1.00 3.26 H new ATOM 0 HD23 LEU A 77 2.688 -1.306 6.265 1.00 3.26 H new ATOM 1226 N ALA A 78 1.995 -4.105 10.768 1.00 1.56 N ATOM 1227 CA ALA A 78 1.333 -4.622 12.002 1.00 1.68 C ATOM 1228 C ALA A 78 2.401 -5.128 12.974 1.00 2.12 C ATOM 1229 O ALA A 78 2.619 -4.554 14.025 1.00 2.96 O ATOM 1230 CB ALA A 78 0.393 -5.774 11.636 1.00 1.56 C ATOM 0 H ALA A 78 2.140 -4.797 10.033 1.00 1.56 H new ATOM 0 HA ALA A 78 0.760 -3.822 12.470 1.00 1.68 H new ATOM 0 HB1 ALA A 78 -0.090 -6.150 12.538 1.00 1.56 H new ATOM 0 HB2 ALA A 78 -0.366 -5.417 10.940 1.00 1.56 H new ATOM 0 HB3 ALA A 78 0.965 -6.576 11.169 1.00 1.56 H new ATOM 1236 N THR A 79 3.065 -6.200 12.625 1.00 1.82 N ATOM 1237 CA THR A 79 4.124 -6.757 13.517 1.00 2.31 C ATOM 1238 C THR A 79 5.100 -7.591 12.684 1.00 2.81 C ATOM 1239 O THR A 79 4.732 -8.597 12.107 1.00 3.53 O ATOM 1240 CB THR A 79 3.480 -7.642 14.586 1.00 2.53 C ATOM 1241 OG1 THR A 79 2.254 -7.058 15.005 1.00 3.54 O ATOM 1242 CG2 THR A 79 4.423 -7.769 15.782 1.00 3.64 C ATOM 0 H THR A 79 2.918 -6.715 11.757 1.00 1.82 H new ATOM 0 HA THR A 79 4.661 -5.940 14.000 1.00 2.31 H new ATOM 0 HB THR A 79 3.289 -8.632 14.172 1.00 2.53 H new ATOM 0 HG1 THR A 79 1.839 -7.624 15.689 1.00 3.54 H new ATOM 0 HG21 THR A 79 3.963 -8.400 16.543 1.00 3.64 H new ATOM 0 HG22 THR A 79 5.362 -8.217 15.459 1.00 3.64 H new ATOM 0 HG23 THR A 79 4.617 -6.781 16.199 1.00 3.64 H new ATOM 1250 N GLY A 80 6.341 -7.178 12.617 1.00 3.67 N ATOM 1251 CA GLY A 80 7.348 -7.941 11.822 1.00 4.73 C ATOM 1252 C GLY A 80 7.555 -9.321 12.446 1.00 5.65 C ATOM 1253 O GLY A 80 8.280 -9.473 13.412 1.00 6.19 O ATOM 0 H GLY A 80 6.700 -6.343 13.080 1.00 3.67 H new ATOM 0 HA2 GLY A 80 7.010 -8.044 10.791 1.00 4.73 H new ATOM 0 HA3 GLY A 80 8.292 -7.398 11.795 1.00 4.73 H new ATOM 1257 N LYS A 81 6.922 -10.329 11.901 1.00 6.35 N ATOM 1258 CA LYS A 81 7.074 -11.706 12.456 1.00 7.69 C ATOM 1259 C LYS A 81 7.300 -12.695 11.309 1.00 8.77 C ATOM 1260 O LYS A 81 7.365 -12.316 10.155 1.00 9.35 O ATOM 1261 CB LYS A 81 5.805 -12.091 13.220 1.00 8.17 C ATOM 1262 CG LYS A 81 5.976 -11.743 14.699 1.00 8.23 C ATOM 1263 CD LYS A 81 4.724 -12.165 15.471 1.00 9.02 C ATOM 1264 CE LYS A 81 4.747 -11.536 16.865 1.00 9.34 C ATOM 1265 NZ LYS A 81 5.410 -12.471 17.819 1.00 10.63 N ATOM 0 H LYS A 81 6.304 -10.256 11.093 1.00 6.35 H new ATOM 0 HA LYS A 81 7.928 -11.734 13.133 1.00 7.69 H new ATOM 0 HB2 LYS A 81 4.945 -11.563 12.808 1.00 8.17 H new ATOM 0 HB3 LYS A 81 5.608 -13.157 13.106 1.00 8.17 H new ATOM 0 HG2 LYS A 81 6.853 -12.248 15.103 1.00 8.23 H new ATOM 0 HG3 LYS A 81 6.144 -10.672 14.815 1.00 8.23 H new ATOM 0 HD2 LYS A 81 3.829 -11.851 14.933 1.00 9.02 H new ATOM 0 HD3 LYS A 81 4.682 -13.251 15.551 1.00 9.02 H new ATOM 0 HE2 LYS A 81 5.281 -10.586 16.839 1.00 9.34 H new ATOM 0 HE3 LYS A 81 3.731 -11.321 17.196 1.00 9.34 H new ATOM 0 HZ1 LYS A 81 5.427 -12.045 18.768 1.00 10.63 H new ATOM 0 HZ2 LYS A 81 4.882 -13.367 17.851 1.00 10.63 H new ATOM 0 HZ3 LYS A 81 6.384 -12.654 17.505 1.00 10.63 H new ATOM 1279 N LEU A 82 7.420 -13.961 11.623 1.00 9.46 N ATOM 1280 CA LEU A 82 7.642 -14.983 10.558 1.00 10.75 C ATOM 1281 C LEU A 82 6.471 -15.968 10.541 1.00 11.55 C ATOM 1282 O LEU A 82 6.518 -17.010 11.165 1.00 12.24 O ATOM 1283 CB LEU A 82 8.941 -15.742 10.842 1.00 11.55 C ATOM 1284 CG LEU A 82 10.128 -14.949 10.293 1.00 11.97 C ATOM 1285 CD1 LEU A 82 11.419 -15.439 10.951 1.00 12.80 C ATOM 1286 CD2 LEU A 82 10.220 -15.153 8.779 1.00 12.99 C ATOM 0 H LEU A 82 7.374 -14.330 12.573 1.00 9.46 H new ATOM 0 HA LEU A 82 7.713 -14.487 9.590 1.00 10.75 H new ATOM 0 HB2 LEU A 82 9.058 -15.895 11.915 1.00 11.55 H new ATOM 0 HB3 LEU A 82 8.906 -16.729 10.381 1.00 11.55 H new ATOM 0 HG LEU A 82 9.989 -13.890 10.511 1.00 11.97 H new ATOM 0 HD11 LEU A 82 12.264 -14.873 10.559 1.00 12.80 H new ATOM 0 HD12 LEU A 82 11.355 -15.295 12.030 1.00 12.80 H new ATOM 0 HD13 LEU A 82 11.559 -16.498 10.734 1.00 12.80 H new ATOM 0 HD21 LEU A 82 11.066 -14.588 8.386 1.00 12.99 H new ATOM 0 HD22 LEU A 82 10.359 -16.212 8.562 1.00 12.99 H new ATOM 0 HD23 LEU A 82 9.301 -14.804 8.308 1.00 12.99 H new ATOM 1298 N ARG A 83 5.422 -15.641 9.829 1.00 11.89 N ATOM 1299 CA ARG A 83 4.241 -16.552 9.763 1.00 13.05 C ATOM 1300 C ARG A 83 4.238 -17.287 8.421 1.00 14.53 C ATOM 1301 O ARG A 83 4.158 -18.500 8.369 1.00 15.19 O ATOM 1302 CB ARG A 83 2.956 -15.733 9.899 1.00 13.03 C ATOM 1303 CG ARG A 83 2.891 -15.115 11.297 1.00 12.29 C ATOM 1304 CD ARG A 83 2.053 -13.835 11.251 1.00 12.48 C ATOM 1305 NE ARG A 83 0.606 -14.191 11.126 1.00 13.39 N ATOM 1306 CZ ARG A 83 -0.342 -13.302 11.353 1.00 13.87 C ATOM 1307 NH1 ARG A 83 -0.059 -12.067 11.700 1.00 13.65 N ATOM 1308 NH2 ARG A 83 -1.591 -13.657 11.228 1.00 14.93 N ATOM 0 H ARG A 83 5.333 -14.780 9.290 1.00 11.89 H new ATOM 0 HA ARG A 83 4.296 -17.278 10.575 1.00 13.05 H new ATOM 0 HB2 ARG A 83 2.930 -14.949 9.142 1.00 13.03 H new ATOM 0 HB3 ARG A 83 2.087 -16.369 9.730 1.00 13.03 H new ATOM 0 HG2 ARG A 83 2.453 -15.824 12.000 1.00 12.29 H new ATOM 0 HG3 ARG A 83 3.896 -14.892 11.655 1.00 12.29 H new ATOM 0 HD2 ARG A 83 2.217 -13.247 12.154 1.00 12.48 H new ATOM 0 HD3 ARG A 83 2.360 -13.216 10.408 1.00 12.48 H new ATOM 0 HE ARG A 83 0.347 -15.141 10.860 1.00 13.39 H new ATOM 0 HH11 ARG A 83 0.913 -11.775 11.800 1.00 13.65 H new ATOM 0 HH12 ARG A 83 -0.812 -11.400 11.870 1.00 13.65 H new ATOM 0 HH21 ARG A 83 -1.825 -14.612 10.958 1.00 14.93 H new ATOM 0 HH22 ARG A 83 -2.334 -12.979 11.401 1.00 14.93 H new ATOM 1322 N LYS A 84 4.328 -16.559 7.337 1.00 15.32 N ATOM 1323 CA LYS A 84 4.332 -17.204 5.992 1.00 17.01 C ATOM 1324 C LYS A 84 5.683 -16.966 5.315 1.00 17.87 C ATOM 1325 O LYS A 84 6.310 -15.941 5.507 1.00 17.88 O ATOM 1326 CB LYS A 84 3.217 -16.603 5.134 1.00 17.77 C ATOM 1327 CG LYS A 84 2.800 -17.610 4.059 1.00 19.24 C ATOM 1328 CD LYS A 84 2.044 -16.885 2.945 1.00 20.36 C ATOM 1329 CE LYS A 84 1.180 -17.888 2.178 1.00 21.80 C ATOM 1330 NZ LYS A 84 -0.115 -18.077 2.892 1.00 21.89 N ATOM 0 H LYS A 84 4.399 -15.542 7.327 1.00 15.32 H new ATOM 0 HA LYS A 84 4.166 -18.276 6.103 1.00 17.01 H new ATOM 0 HB2 LYS A 84 2.361 -16.347 5.759 1.00 17.77 H new ATOM 0 HB3 LYS A 84 3.560 -15.679 4.668 1.00 17.77 H new ATOM 0 HG2 LYS A 84 3.680 -18.108 3.651 1.00 19.24 H new ATOM 0 HG3 LYS A 84 2.170 -18.384 4.496 1.00 19.24 H new ATOM 0 HD2 LYS A 84 1.419 -16.099 3.368 1.00 20.36 H new ATOM 0 HD3 LYS A 84 2.748 -16.403 2.267 1.00 20.36 H new ATOM 0 HE2 LYS A 84 1.000 -17.529 1.165 1.00 21.80 H new ATOM 0 HE3 LYS A 84 1.702 -18.841 2.090 1.00 21.80 H new ATOM 0 HZ1 LYS A 84 -0.703 -18.759 2.371 1.00 21.89 H new ATOM 0 HZ2 LYS A 84 0.066 -18.438 3.850 1.00 21.89 H new ATOM 0 HZ3 LYS A 84 -0.614 -17.166 2.954 1.00 21.89 H new ATOM 1344 N LEU A 85 6.133 -17.906 4.523 1.00 18.84 N ATOM 1345 CA LEU A 85 7.443 -17.745 3.827 1.00 19.98 C ATOM 1346 C LEU A 85 7.370 -16.550 2.874 1.00 20.71 C ATOM 1347 O LEU A 85 6.434 -16.414 2.108 1.00 21.25 O ATOM 1348 CB LEU A 85 7.758 -19.013 3.031 1.00 21.04 C ATOM 1349 CG LEU A 85 8.566 -19.977 3.901 1.00 20.90 C ATOM 1350 CD1 LEU A 85 8.338 -21.411 3.422 1.00 21.93 C ATOM 1351 CD2 LEU A 85 10.054 -19.634 3.794 1.00 21.23 C ATOM 0 H LEU A 85 5.646 -18.781 4.329 1.00 18.84 H new ATOM 0 HA LEU A 85 8.227 -17.575 4.564 1.00 19.98 H new ATOM 0 HB2 LEU A 85 6.833 -19.489 2.705 1.00 21.04 H new ATOM 0 HB3 LEU A 85 8.320 -18.760 2.132 1.00 21.04 H new ATOM 0 HG LEU A 85 8.245 -19.886 4.939 1.00 20.90 H new ATOM 0 HD11 LEU A 85 8.914 -22.098 4.042 1.00 21.93 H new ATOM 0 HD12 LEU A 85 7.278 -21.656 3.497 1.00 21.93 H new ATOM 0 HD13 LEU A 85 8.659 -21.503 2.384 1.00 21.93 H new ATOM 0 HD21 LEU A 85 10.631 -20.320 4.414 1.00 21.23 H new ATOM 0 HD22 LEU A 85 10.375 -19.725 2.756 1.00 21.23 H new ATOM 0 HD23 LEU A 85 10.217 -18.612 4.136 1.00 21.23 H new ATOM 1363 N GLU A 86 8.351 -15.685 2.917 1.00 20.96 N ATOM 1364 CA GLU A 86 8.348 -14.494 2.017 1.00 21.97 C ATOM 1365 C GLU A 86 9.312 -14.732 0.853 1.00 23.16 C ATOM 1366 O GLU A 86 10.499 -14.493 0.960 1.00 23.35 O ATOM 1367 CB GLU A 86 8.794 -13.259 2.804 1.00 21.77 C ATOM 1368 CG GLU A 86 8.306 -11.996 2.092 1.00 22.59 C ATOM 1369 CD GLU A 86 6.961 -11.566 2.681 1.00 22.44 C ATOM 1370 OE1 GLU A 86 5.949 -12.077 2.233 1.00 22.93 O ATOM 1371 OE2 GLU A 86 6.967 -10.732 3.571 1.00 22.06 O ATOM 0 H GLU A 86 9.156 -15.753 3.539 1.00 20.96 H new ATOM 0 HA GLU A 86 7.342 -14.334 1.629 1.00 21.97 H new ATOM 0 HB2 GLU A 86 8.393 -13.296 3.817 1.00 21.77 H new ATOM 0 HB3 GLU A 86 9.880 -13.243 2.891 1.00 21.77 H new ATOM 0 HG2 GLU A 86 9.037 -11.196 2.206 1.00 22.59 H new ATOM 0 HG3 GLU A 86 8.204 -12.185 1.023 1.00 22.59 H new ATOM 1378 N LYS A 87 8.806 -15.201 -0.262 1.00 24.12 N ATOM 1379 CA LYS A 87 9.682 -15.461 -1.446 1.00 25.45 C ATOM 1380 C LYS A 87 10.752 -16.491 -1.081 1.00 25.84 C ATOM 1381 O LYS A 87 10.554 -17.656 -1.384 1.00 26.44 O ATOM 1382 CB LYS A 87 10.356 -14.157 -1.884 1.00 25.84 C ATOM 1383 CG LYS A 87 10.971 -14.341 -3.273 1.00 27.12 C ATOM 1384 CD LYS A 87 10.996 -12.997 -4.003 1.00 27.90 C ATOM 1385 CE LYS A 87 10.977 -13.237 -5.514 1.00 29.26 C ATOM 1386 NZ LYS A 87 11.098 -11.934 -6.227 1.00 30.21 N ATOM 1387 OXT LYS A 87 11.753 -16.098 -0.503 1.00 25.71 O ATOM 0 H LYS A 87 7.819 -15.416 -0.403 1.00 24.12 H new ATOM 0 HA LYS A 87 9.074 -15.847 -2.264 1.00 25.45 H new ATOM 0 HB2 LYS A 87 9.627 -13.347 -1.902 1.00 25.84 H new ATOM 0 HB3 LYS A 87 11.128 -13.876 -1.167 1.00 25.84 H new ATOM 0 HG2 LYS A 87 11.982 -14.738 -3.185 1.00 27.12 H new ATOM 0 HG3 LYS A 87 10.393 -15.067 -3.845 1.00 27.12 H new ATOM 0 HD2 LYS A 87 10.136 -12.395 -3.709 1.00 27.90 H new ATOM 0 HD3 LYS A 87 11.888 -12.436 -3.724 1.00 27.90 H new ATOM 0 HE2 LYS A 87 11.797 -13.896 -5.798 1.00 29.26 H new ATOM 0 HE3 LYS A 87 10.052 -13.736 -5.802 1.00 29.26 H new ATOM 0 HZ1 LYS A 87 11.085 -12.098 -7.254 1.00 30.21 H new ATOM 0 HZ2 LYS A 87 10.301 -11.319 -5.964 1.00 30.21 H new ATOM 0 HZ3 LYS A 87 11.992 -11.474 -5.961 1.00 30.21 H new TER 1401 LYS A 87