USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 690 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 46 TYR OH : rot 171:sc= 1.54 USER MOD Set 1.2: A 61 THR OG1 : rot 83:sc= 1.49! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.15 K(o=-2.1,f=-3.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.68) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0343 K(o=-0.034,f=-0.65) USER MOD Single : A 26 SER OG : rot 120:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -150:sc= -0.451 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0066 X(o=-0.0066,f=-0.0026) USER MOD Single : A 48 THR OG1 : rot -110:sc= -1.1 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0585) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -6.4! C(o=-6.4!,f=-5.9!) USER MOD Single : A 64 THR OG1 : rot 138:sc= -1.9! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -7.22! C(o=-7.2!,f=-8.3!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0814 USER MOD Single : A 75 LYS NZ :NH3+ 139:sc= 1.08 (180deg=-1.17) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.134 -20.492 -10.912 1.00 0.00 N ATOM 2 CA GLY A 1 -0.945 -21.691 -11.043 1.00 0.00 C ATOM 3 C GLY A 1 -1.177 -22.348 -9.681 1.00 0.00 C ATOM 4 O GLY A 1 -1.862 -21.788 -8.827 1.00 0.00 O ATOM 0 H1 GLY A 1 0.009 -20.065 -11.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.618 -19.812 -10.292 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.788 -20.740 -10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.903 -21.438 -11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.452 -22.397 -11.712 1.00 0.00 H new ATOM 8 N SER A 2 -0.593 -23.526 -9.521 1.00 0.00 N ATOM 9 CA SER A 2 -0.728 -24.266 -8.278 1.00 0.00 C ATOM 10 C SER A 2 0.650 -24.500 -7.656 1.00 0.00 C ATOM 11 O SER A 2 1.248 -25.559 -7.844 1.00 0.00 O ATOM 12 CB SER A 2 -1.442 -25.600 -8.505 1.00 0.00 C ATOM 13 OG SER A 2 -2.859 -25.452 -8.517 1.00 0.00 O ATOM 0 H SER A 2 -0.025 -23.987 -10.232 1.00 0.00 H new ATOM 0 HA SER A 2 -1.333 -23.674 -7.592 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.114 -26.030 -9.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.157 -26.302 -7.721 1.00 0.00 H new ATOM 0 HG SER A 2 -3.278 -26.325 -8.666 1.00 0.00 H new ATOM 19 N SER A 3 1.115 -23.495 -6.929 1.00 0.00 N ATOM 20 CA SER A 3 2.411 -23.578 -6.278 1.00 0.00 C ATOM 21 C SER A 3 2.260 -23.332 -4.776 1.00 0.00 C ATOM 22 O SER A 3 1.509 -22.451 -4.360 1.00 0.00 O ATOM 23 CB SER A 3 3.396 -22.576 -6.884 1.00 0.00 C ATOM 24 OG SER A 3 4.420 -23.221 -7.636 1.00 0.00 O ATOM 0 H SER A 3 0.617 -22.618 -6.776 1.00 0.00 H new ATOM 0 HA SER A 3 2.810 -24.580 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.856 -21.882 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.849 -21.986 -6.087 1.00 0.00 H new ATOM 0 HG SER A 3 5.027 -22.547 -8.007 1.00 0.00 H new ATOM 30 N GLY A 4 2.985 -24.127 -4.003 1.00 0.00 N ATOM 31 CA GLY A 4 2.941 -24.007 -2.555 1.00 0.00 C ATOM 32 C GLY A 4 3.779 -22.819 -2.078 1.00 0.00 C ATOM 33 O GLY A 4 3.263 -21.914 -1.424 1.00 0.00 O ATOM 0 H GLY A 4 3.606 -24.857 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.909 -23.883 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.312 -24.925 -2.099 1.00 0.00 H new ATOM 37 N SER A 5 5.057 -22.861 -2.424 1.00 0.00 N ATOM 38 CA SER A 5 5.972 -21.799 -2.039 1.00 0.00 C ATOM 39 C SER A 5 5.329 -20.435 -2.300 1.00 0.00 C ATOM 40 O SER A 5 5.592 -19.474 -1.579 1.00 0.00 O ATOM 41 CB SER A 5 7.298 -21.914 -2.792 1.00 0.00 C ATOM 42 OG SER A 5 8.399 -21.467 -2.006 1.00 0.00 O ATOM 0 H SER A 5 5.481 -23.613 -2.967 1.00 0.00 H new ATOM 0 HA SER A 5 6.181 -21.897 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.459 -22.951 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.246 -21.328 -3.709 1.00 0.00 H new ATOM 0 HG SER A 5 9.227 -21.558 -2.522 1.00 0.00 H new ATOM 48 N SER A 6 4.500 -20.395 -3.332 1.00 0.00 N ATOM 49 CA SER A 6 3.819 -19.165 -3.697 1.00 0.00 C ATOM 50 C SER A 6 2.451 -19.102 -3.014 1.00 0.00 C ATOM 51 O SER A 6 2.082 -18.074 -2.449 1.00 0.00 O ATOM 52 CB SER A 6 3.660 -19.053 -5.215 1.00 0.00 C ATOM 53 OG SER A 6 3.235 -17.752 -5.613 1.00 0.00 O ATOM 0 H SER A 6 4.284 -21.195 -3.927 1.00 0.00 H new ATOM 0 HA SER A 6 4.426 -18.325 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.609 -19.288 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.936 -19.792 -5.559 1.00 0.00 H new ATOM 0 HG SER A 6 3.147 -17.721 -6.589 1.00 0.00 H new ATOM 59 N GLY A 7 1.736 -20.215 -3.089 1.00 0.00 N ATOM 60 CA GLY A 7 0.417 -20.299 -2.485 1.00 0.00 C ATOM 61 C GLY A 7 0.428 -19.732 -1.064 1.00 0.00 C ATOM 62 O GLY A 7 -0.599 -19.270 -0.569 1.00 0.00 O ATOM 0 H GLY A 7 2.045 -21.066 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.301 -19.750 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.088 -21.338 -2.463 1.00 0.00 H new ATOM 66 N ASP A 8 1.600 -19.786 -0.448 1.00 0.00 N ATOM 67 CA ASP A 8 1.757 -19.284 0.906 1.00 0.00 C ATOM 68 C ASP A 8 1.566 -17.766 0.908 1.00 0.00 C ATOM 69 O ASP A 8 0.650 -17.253 1.549 1.00 0.00 O ATOM 70 CB ASP A 8 3.157 -19.584 1.445 1.00 0.00 C ATOM 71 CG ASP A 8 3.207 -20.007 2.915 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.112 -20.204 3.486 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.338 -20.124 3.434 1.00 0.00 O ATOM 0 H ASP A 8 2.450 -20.170 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 8 1.015 -19.774 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.601 -20.374 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.777 -18.697 1.316 1.00 0.00 H new ATOM 78 N GLN A 9 2.444 -17.090 0.182 1.00 0.00 N ATOM 79 CA GLN A 9 2.383 -15.641 0.092 1.00 0.00 C ATOM 80 C GLN A 9 1.137 -15.209 -0.683 1.00 0.00 C ATOM 81 O GLN A 9 0.640 -14.099 -0.499 1.00 0.00 O ATOM 82 CB GLN A 9 3.652 -15.078 -0.552 1.00 0.00 C ATOM 83 CG GLN A 9 3.822 -15.603 -1.979 1.00 0.00 C ATOM 84 CD GLN A 9 4.977 -14.894 -2.690 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.807 -13.882 -3.349 1.00 0.00 O ATOM 86 NE2 GLN A 9 6.158 -15.482 -2.519 1.00 0.00 N ATOM 0 H GLN A 9 3.202 -17.519 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 9 2.317 -15.236 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.605 -13.989 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.521 -15.353 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.009 -16.677 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.899 -15.452 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.229 -16.328 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.992 -15.087 -2.953 1.00 0.00 H new ATOM 95 N LYS A 10 0.667 -16.110 -1.534 1.00 0.00 N ATOM 96 CA LYS A 10 -0.512 -15.836 -2.338 1.00 0.00 C ATOM 97 C LYS A 10 -1.677 -15.468 -1.418 1.00 0.00 C ATOM 98 O LYS A 10 -2.470 -14.583 -1.736 1.00 0.00 O ATOM 99 CB LYS A 10 -0.811 -17.013 -3.269 1.00 0.00 C ATOM 100 CG LYS A 10 -0.997 -16.538 -4.711 1.00 0.00 C ATOM 101 CD LYS A 10 -2.111 -17.322 -5.407 1.00 0.00 C ATOM 102 CE LYS A 10 -1.550 -18.182 -6.542 1.00 0.00 C ATOM 103 NZ LYS A 10 -1.379 -17.373 -7.769 1.00 0.00 N ATOM 0 H LYS A 10 1.081 -17.030 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.338 -14.980 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.005 -17.734 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.711 -17.528 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.236 -15.475 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.064 -16.659 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.621 -17.957 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.854 -16.630 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.592 -18.608 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.222 -19.017 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.998 -17.972 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.299 -16.987 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.720 -16.591 -7.580 1.00 0.00 H new ATOM 117 N LYS A 11 -1.746 -16.167 -0.294 1.00 0.00 N ATOM 118 CA LYS A 11 -2.801 -15.925 0.675 1.00 0.00 C ATOM 119 C LYS A 11 -2.535 -14.601 1.393 1.00 0.00 C ATOM 120 O LYS A 11 -3.461 -13.834 1.653 1.00 0.00 O ATOM 121 CB LYS A 11 -2.944 -17.119 1.621 1.00 0.00 C ATOM 122 CG LYS A 11 -4.003 -18.099 1.110 1.00 0.00 C ATOM 123 CD LYS A 11 -4.237 -19.227 2.117 1.00 0.00 C ATOM 124 CE LYS A 11 -4.749 -20.488 1.419 1.00 0.00 C ATOM 125 NZ LYS A 11 -5.018 -21.555 2.408 1.00 0.00 N ATOM 0 H LYS A 11 -1.088 -16.901 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.764 -15.828 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.986 -17.630 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.218 -16.769 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.938 -17.568 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.685 -18.519 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.308 -19.449 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.958 -18.905 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.659 -20.260 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.013 -20.834 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.365 -22.404 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.141 -21.784 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.737 -21.228 3.084 1.00 0.00 H new ATOM 139 N PHE A 12 -1.264 -14.372 1.693 1.00 0.00 N ATOM 140 CA PHE A 12 -0.865 -13.154 2.376 1.00 0.00 C ATOM 141 C PHE A 12 -1.155 -11.922 1.515 1.00 0.00 C ATOM 142 O PHE A 12 -1.829 -10.995 1.960 1.00 0.00 O ATOM 143 CB PHE A 12 0.643 -13.250 2.616 1.00 0.00 C ATOM 144 CG PHE A 12 1.288 -11.934 3.059 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.588 -10.980 2.137 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.561 -11.720 4.374 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.186 -9.760 2.548 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.160 -10.499 4.784 1.00 0.00 C ATOM 149 CZ PHE A 12 2.460 -9.545 3.863 1.00 0.00 C ATOM 0 H PHE A 12 -0.498 -15.010 1.475 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.420 -13.051 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.832 -14.009 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.126 -13.589 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.371 -11.151 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.323 -12.478 5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.424 -9.002 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.377 -10.328 5.828 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.916 -8.617 4.175 1.00 0.00 H new ATOM 159 N ILE A 13 -0.631 -11.954 0.299 1.00 0.00 N ATOM 160 CA ILE A 13 -0.825 -10.852 -0.628 1.00 0.00 C ATOM 161 C ILE A 13 -2.323 -10.595 -0.801 1.00 0.00 C ATOM 162 O ILE A 13 -2.782 -9.461 -0.669 1.00 0.00 O ATOM 163 CB ILE A 13 -0.091 -11.122 -1.943 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.147 -9.823 -2.715 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.838 -12.160 -2.784 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.253 -8.992 -2.062 1.00 0.00 C ATOM 0 H ILE A 13 -0.072 -12.725 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.388 -9.937 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 13 0.888 -11.541 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.420 -10.053 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.775 -9.243 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.296 -12.334 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.913 -13.094 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.839 -11.792 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.402 -8.074 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.966 -8.743 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.180 -9.566 -2.049 1.00 0.00 H new ATOM 178 N ASP A 14 -3.045 -11.666 -1.094 1.00 0.00 N ATOM 179 CA ASP A 14 -4.482 -11.571 -1.287 1.00 0.00 C ATOM 180 C ASP A 14 -5.099 -10.802 -0.117 1.00 0.00 C ATOM 181 O ASP A 14 -5.775 -9.794 -0.320 1.00 0.00 O ATOM 182 CB ASP A 14 -5.125 -12.959 -1.332 1.00 0.00 C ATOM 183 CG ASP A 14 -5.750 -13.338 -2.676 1.00 0.00 C ATOM 184 OD1 ASP A 14 -6.807 -12.752 -2.996 1.00 0.00 O ATOM 185 OD2 ASP A 14 -5.158 -14.206 -3.353 1.00 0.00 O ATOM 0 H ASP A 14 -2.662 -12.605 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.662 -11.059 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.369 -13.702 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.895 -13.011 -0.562 1.00 0.00 H new ATOM 190 N GLN A 15 -4.845 -11.307 1.081 1.00 0.00 N ATOM 191 CA GLN A 15 -5.368 -10.680 2.283 1.00 0.00 C ATOM 192 C GLN A 15 -5.138 -9.168 2.236 1.00 0.00 C ATOM 193 O GLN A 15 -6.001 -8.393 2.645 1.00 0.00 O ATOM 194 CB GLN A 15 -4.739 -11.291 3.538 1.00 0.00 C ATOM 195 CG GLN A 15 -5.264 -12.708 3.779 1.00 0.00 C ATOM 196 CD GLN A 15 -5.791 -12.861 5.207 1.00 0.00 C ATOM 197 OE1 GLN A 15 -6.387 -11.962 5.777 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.539 -14.048 5.752 1.00 0.00 N ATOM 0 H GLN A 15 -4.284 -12.143 1.245 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.441 -10.864 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.654 -11.314 3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.961 -10.665 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.060 -12.931 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.467 -13.430 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.035 -14.757 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.850 -14.249 6.702 1.00 0.00 H new ATOM 207 N VAL A 16 -3.970 -8.794 1.734 1.00 0.00 N ATOM 208 CA VAL A 16 -3.617 -7.389 1.628 1.00 0.00 C ATOM 209 C VAL A 16 -4.495 -6.725 0.566 1.00 0.00 C ATOM 210 O VAL A 16 -5.064 -5.660 0.803 1.00 0.00 O ATOM 211 CB VAL A 16 -2.121 -7.246 1.341 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.736 -5.777 1.154 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.285 -7.895 2.447 1.00 0.00 C ATOM 0 H VAL A 16 -3.256 -9.440 1.396 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.804 -6.876 2.571 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.908 -7.770 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.668 -5.704 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.294 -5.359 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.972 -5.221 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.226 -7.779 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.505 -7.413 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.528 -8.956 2.512 1.00 0.00 H new ATOM 223 N ILE A 17 -4.579 -7.381 -0.582 1.00 0.00 N ATOM 224 CA ILE A 17 -5.379 -6.868 -1.681 1.00 0.00 C ATOM 225 C ILE A 17 -6.685 -6.292 -1.130 1.00 0.00 C ATOM 226 O ILE A 17 -7.061 -5.169 -1.462 1.00 0.00 O ATOM 227 CB ILE A 17 -5.583 -7.948 -2.745 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.241 -8.476 -3.256 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.469 -7.436 -3.883 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.225 -7.341 -3.399 1.00 0.00 C ATOM 0 H ILE A 17 -4.106 -8.264 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.858 -6.053 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.104 -8.787 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.856 -9.229 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.382 -8.967 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.598 -8.223 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.442 -7.149 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.998 -6.571 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.280 -7.743 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.602 -6.602 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.068 -6.868 -2.429 1.00 0.00 H new ATOM 242 N GLU A 18 -7.340 -7.087 -0.297 1.00 0.00 N ATOM 243 CA GLU A 18 -8.596 -6.670 0.304 1.00 0.00 C ATOM 244 C GLU A 18 -8.447 -5.286 0.939 1.00 0.00 C ATOM 245 O GLU A 18 -9.187 -4.363 0.603 1.00 0.00 O ATOM 246 CB GLU A 18 -9.079 -7.696 1.331 1.00 0.00 C ATOM 247 CG GLU A 18 -9.578 -8.968 0.642 1.00 0.00 C ATOM 248 CD GLU A 18 -11.020 -8.800 0.157 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.181 -8.333 -0.991 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.927 -9.143 0.945 1.00 0.00 O ATOM 0 H GLU A 18 -7.025 -8.018 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.350 -6.608 -0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.266 -7.943 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.880 -7.265 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.932 -9.205 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.519 -9.808 1.334 1.00 0.00 H new ATOM 257 N LYS A 19 -7.486 -5.187 1.845 1.00 0.00 N ATOM 258 CA LYS A 19 -7.231 -3.931 2.531 1.00 0.00 C ATOM 259 C LYS A 19 -7.087 -2.811 1.498 1.00 0.00 C ATOM 260 O LYS A 19 -7.662 -1.736 1.659 1.00 0.00 O ATOM 261 CB LYS A 19 -6.026 -4.065 3.464 1.00 0.00 C ATOM 262 CG LYS A 19 -6.300 -5.085 4.571 1.00 0.00 C ATOM 263 CD LYS A 19 -4.998 -5.707 5.079 1.00 0.00 C ATOM 264 CE LYS A 19 -4.979 -5.766 6.607 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.229 -6.956 7.070 1.00 0.00 N ATOM 0 H LYS A 19 -6.874 -5.955 2.120 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.073 -3.669 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.150 -4.371 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.795 -3.096 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.821 -4.600 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.958 -5.868 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.887 -6.712 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.149 -5.123 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.520 -4.861 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.000 -5.801 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.226 -6.981 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.684 -7.817 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.250 -6.907 6.722 1.00 0.00 H new ATOM 279 N ILE A 20 -6.318 -3.103 0.459 1.00 0.00 N ATOM 280 CA ILE A 20 -6.091 -2.134 -0.600 1.00 0.00 C ATOM 281 C ILE A 20 -7.434 -1.733 -1.214 1.00 0.00 C ATOM 282 O ILE A 20 -7.773 -0.552 -1.257 1.00 0.00 O ATOM 283 CB ILE A 20 -5.087 -2.678 -1.618 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.703 -2.846 -0.987 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.045 -1.799 -2.869 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.907 -3.943 -1.697 1.00 0.00 C ATOM 0 H ILE A 20 -5.844 -3.997 0.328 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.641 -1.227 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.419 -3.668 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.158 -1.904 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.808 -3.094 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.324 -2.208 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.032 -1.775 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.749 -0.787 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.927 -4.042 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.443 -4.889 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.783 -3.680 -2.748 1.00 0.00 H new ATOM 298 N GLU A 21 -8.162 -2.740 -1.674 1.00 0.00 N ATOM 299 CA GLU A 21 -9.460 -2.508 -2.283 1.00 0.00 C ATOM 300 C GLU A 21 -10.328 -1.639 -1.370 1.00 0.00 C ATOM 301 O GLU A 21 -10.784 -0.571 -1.774 1.00 0.00 O ATOM 302 CB GLU A 21 -10.159 -3.830 -2.608 1.00 0.00 C ATOM 303 CG GLU A 21 -9.581 -4.457 -3.878 1.00 0.00 C ATOM 304 CD GLU A 21 -10.697 -4.903 -4.826 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.662 -4.122 -4.974 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.561 -6.015 -5.380 1.00 0.00 O ATOM 0 H GLU A 21 -7.877 -3.719 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.308 -1.975 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.045 -4.521 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.228 -3.659 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.936 -3.737 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.959 -5.312 -3.615 1.00 0.00 H new ATOM 313 N ASP A 22 -10.530 -2.131 -0.156 1.00 0.00 N ATOM 314 CA ASP A 22 -11.334 -1.413 0.817 1.00 0.00 C ATOM 315 C ASP A 22 -10.875 0.046 0.876 1.00 0.00 C ATOM 316 O ASP A 22 -11.698 0.960 0.872 1.00 0.00 O ATOM 317 CB ASP A 22 -11.175 -2.015 2.215 1.00 0.00 C ATOM 318 CG ASP A 22 -12.313 -1.700 3.188 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.479 -1.867 2.771 1.00 0.00 O ATOM 320 OD2 ASP A 22 -11.990 -1.300 4.328 1.00 0.00 O ATOM 0 H ASP A 22 -10.151 -3.018 0.175 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.377 -1.484 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.087 -3.097 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.240 -1.656 2.645 1.00 0.00 H new ATOM 325 N PHE A 23 -9.563 0.218 0.930 1.00 0.00 N ATOM 326 CA PHE A 23 -8.984 1.549 0.990 1.00 0.00 C ATOM 327 C PHE A 23 -9.299 2.341 -0.281 1.00 0.00 C ATOM 328 O PHE A 23 -9.643 3.521 -0.212 1.00 0.00 O ATOM 329 CB PHE A 23 -7.469 1.374 1.105 1.00 0.00 C ATOM 330 CG PHE A 23 -6.662 2.525 0.500 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.931 3.808 0.862 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.675 2.264 -0.399 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.182 4.876 0.301 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.926 3.332 -0.960 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.195 4.615 -0.598 1.00 0.00 C ATOM 0 H PHE A 23 -8.884 -0.543 0.933 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.395 2.096 1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.204 1.272 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.182 0.445 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.714 4.015 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.461 1.245 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.396 5.895 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.143 3.125 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.625 5.427 -1.024 1.00 0.00 H new ATOM 345 N LEU A 24 -9.171 1.661 -1.411 1.00 0.00 N ATOM 346 CA LEU A 24 -9.438 2.287 -2.695 1.00 0.00 C ATOM 347 C LEU A 24 -10.923 2.643 -2.785 1.00 0.00 C ATOM 348 O LEU A 24 -11.289 3.640 -3.405 1.00 0.00 O ATOM 349 CB LEU A 24 -8.949 1.394 -3.837 1.00 0.00 C ATOM 350 CG LEU A 24 -7.450 1.084 -3.852 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.153 -0.142 -4.717 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.642 2.306 -4.293 1.00 0.00 C ATOM 0 H LEU A 24 -8.886 0.683 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.881 3.219 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.494 0.451 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.211 1.870 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.140 0.843 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.081 -0.341 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.685 -1.006 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.481 0.046 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.580 2.059 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.948 2.601 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.821 3.130 -3.602 1.00 0.00 H new ATOM 364 N GLN A 25 -11.738 1.807 -2.158 1.00 0.00 N ATOM 365 CA GLN A 25 -13.175 2.021 -2.160 1.00 0.00 C ATOM 366 C GLN A 25 -13.511 3.377 -1.535 1.00 0.00 C ATOM 367 O GLN A 25 -14.186 4.199 -2.152 1.00 0.00 O ATOM 368 CB GLN A 25 -13.900 0.887 -1.432 1.00 0.00 C ATOM 369 CG GLN A 25 -13.887 -0.396 -2.266 1.00 0.00 C ATOM 370 CD GLN A 25 -15.198 -0.563 -3.036 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.901 0.390 -3.330 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.488 -1.824 -3.344 1.00 0.00 N ATOM 0 H GLN A 25 -11.430 0.981 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.520 2.024 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.423 0.704 -0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.929 1.181 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.051 -0.371 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.732 -1.256 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.856 -2.575 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.343 -2.040 -3.857 1.00 0.00 H new ATOM 381 N SER A 26 -13.023 3.568 -0.318 1.00 0.00 N ATOM 382 CA SER A 26 -13.263 4.809 0.398 1.00 0.00 C ATOM 383 C SER A 26 -12.770 5.996 -0.432 1.00 0.00 C ATOM 384 O SER A 26 -11.794 5.877 -1.172 1.00 0.00 O ATOM 385 CB SER A 26 -12.578 4.798 1.766 1.00 0.00 C ATOM 386 OG SER A 26 -13.374 5.425 2.767 1.00 0.00 O ATOM 0 H SER A 26 -12.462 2.884 0.190 1.00 0.00 H new ATOM 0 HA SER A 26 -14.336 4.907 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.371 3.769 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.617 5.308 1.694 1.00 0.00 H new ATOM 0 HG SER A 26 -13.575 4.780 3.477 1.00 0.00 H new ATOM 392 N GLU A 27 -13.466 7.113 -0.282 1.00 0.00 N ATOM 393 CA GLU A 27 -13.112 8.320 -1.009 1.00 0.00 C ATOM 394 C GLU A 27 -12.167 9.185 -0.173 1.00 0.00 C ATOM 395 O GLU A 27 -11.010 9.383 -0.542 1.00 0.00 O ATOM 396 CB GLU A 27 -14.362 9.105 -1.412 1.00 0.00 C ATOM 397 CG GLU A 27 -14.622 8.987 -2.914 1.00 0.00 C ATOM 398 CD GLU A 27 -15.842 9.815 -3.326 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.966 9.302 -3.137 1.00 0.00 O ATOM 400 OE2 GLU A 27 -15.623 10.943 -3.819 1.00 0.00 O ATOM 0 H GLU A 27 -14.274 7.208 0.333 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.595 8.031 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.224 8.732 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.240 10.154 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.745 9.325 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.781 7.942 -3.178 1.00 0.00 H new ATOM 407 N GLU A 28 -12.694 9.677 0.939 1.00 0.00 N ATOM 408 CA GLU A 28 -11.912 10.516 1.831 1.00 0.00 C ATOM 409 C GLU A 28 -10.492 9.963 1.971 1.00 0.00 C ATOM 410 O GLU A 28 -9.521 10.716 1.915 1.00 0.00 O ATOM 411 CB GLU A 28 -12.588 10.643 3.197 1.00 0.00 C ATOM 412 CG GLU A 28 -13.745 11.643 3.146 1.00 0.00 C ATOM 413 CD GLU A 28 -14.144 12.093 4.553 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.896 11.332 5.200 1.00 0.00 O ATOM 415 OE2 GLU A 28 -13.687 13.187 4.950 1.00 0.00 O ATOM 0 H GLU A 28 -13.653 9.510 1.242 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.851 11.515 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.959 9.669 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.858 10.964 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.455 12.510 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.602 11.188 2.649 1.00 0.00 H new ATOM 422 N LYS A 29 -10.417 8.652 2.149 1.00 0.00 N ATOM 423 CA LYS A 29 -9.132 7.990 2.297 1.00 0.00 C ATOM 424 C LYS A 29 -8.129 8.608 1.321 1.00 0.00 C ATOM 425 O LYS A 29 -8.436 8.793 0.144 1.00 0.00 O ATOM 426 CB LYS A 29 -9.289 6.476 2.142 1.00 0.00 C ATOM 427 CG LYS A 29 -9.910 5.857 3.396 1.00 0.00 C ATOM 428 CD LYS A 29 -9.685 4.344 3.429 1.00 0.00 C ATOM 429 CE LYS A 29 -10.818 3.638 4.178 1.00 0.00 C ATOM 430 NZ LYS A 29 -10.333 3.111 5.473 1.00 0.00 N ATOM 0 H LYS A 29 -11.225 8.031 2.194 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.737 8.145 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.915 6.259 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.316 6.023 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.474 6.313 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.979 6.070 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.622 3.960 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.733 4.125 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.640 4.334 4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.211 2.822 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.114 2.635 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.564 2.431 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.980 3.896 6.057 1.00 0.00 H new ATOM 444 N ARG A 30 -6.951 8.910 1.846 1.00 0.00 N ATOM 445 CA ARG A 30 -5.900 9.503 1.036 1.00 0.00 C ATOM 446 C ARG A 30 -4.683 8.578 0.985 1.00 0.00 C ATOM 447 O ARG A 30 -4.037 8.453 -0.055 1.00 0.00 O ATOM 448 CB ARG A 30 -5.476 10.863 1.594 1.00 0.00 C ATOM 449 CG ARG A 30 -5.697 11.972 0.563 1.00 0.00 C ATOM 450 CD ARG A 30 -7.111 12.548 0.671 1.00 0.00 C ATOM 451 NE ARG A 30 -7.046 14.006 0.915 1.00 0.00 N ATOM 452 CZ ARG A 30 -8.065 14.849 0.701 1.00 0.00 C ATOM 453 NH1 ARG A 30 -9.233 14.385 0.238 1.00 0.00 N ATOM 454 NH2 ARG A 30 -7.916 16.158 0.951 1.00 0.00 N ATOM 0 H ARG A 30 -6.701 8.755 2.823 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.296 9.643 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.045 11.083 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.425 10.831 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.965 12.765 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.537 11.578 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.665 12.349 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.651 12.059 1.482 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.171 14.393 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.347 13.389 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.008 15.027 0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.027 16.512 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.692 16.800 0.788 1.00 0.00 H new ATOM 468 N SER A 31 -4.406 7.954 2.120 1.00 0.00 N ATOM 469 CA SER A 31 -3.277 7.044 2.218 1.00 0.00 C ATOM 470 C SER A 31 -3.612 5.896 3.172 1.00 0.00 C ATOM 471 O SER A 31 -4.190 6.116 4.235 1.00 0.00 O ATOM 472 CB SER A 31 -2.019 7.776 2.688 1.00 0.00 C ATOM 473 OG SER A 31 -2.326 9.021 3.310 1.00 0.00 O ATOM 0 H SER A 31 -4.944 8.060 2.980 1.00 0.00 H new ATOM 0 HA SER A 31 -3.078 6.637 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.473 7.145 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.361 7.949 1.837 1.00 0.00 H new ATOM 0 HG SER A 31 -1.496 9.456 3.597 1.00 0.00 H new ATOM 479 N LEU A 32 -3.233 4.696 2.758 1.00 0.00 N ATOM 480 CA LEU A 32 -3.486 3.512 3.563 1.00 0.00 C ATOM 481 C LEU A 32 -2.184 3.069 4.232 1.00 0.00 C ATOM 482 O LEU A 32 -1.096 3.358 3.736 1.00 0.00 O ATOM 483 CB LEU A 32 -4.146 2.421 2.718 1.00 0.00 C ATOM 484 CG LEU A 32 -4.682 1.211 3.486 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.985 1.554 4.210 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.842 0.002 2.562 1.00 0.00 C ATOM 0 H LEU A 32 -2.753 4.518 1.876 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.194 3.737 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.970 2.868 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.421 2.069 1.984 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.952 0.940 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.344 0.677 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.806 2.365 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.734 1.866 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.224 -0.844 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.541 0.246 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.875 -0.258 2.132 1.00 0.00 H new ATOM 498 N GLU A 33 -2.337 2.373 5.349 1.00 0.00 N ATOM 499 CA GLU A 33 -1.187 1.887 6.092 1.00 0.00 C ATOM 500 C GLU A 33 -1.258 0.366 6.245 1.00 0.00 C ATOM 501 O GLU A 33 -2.244 -0.165 6.753 1.00 0.00 O ATOM 502 CB GLU A 33 -1.086 2.570 7.457 1.00 0.00 C ATOM 503 CG GLU A 33 -1.288 4.082 7.329 1.00 0.00 C ATOM 504 CD GLU A 33 -1.337 4.747 8.706 1.00 0.00 C ATOM 505 OE1 GLU A 33 -2.052 4.202 9.575 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.657 5.784 8.859 1.00 0.00 O ATOM 0 H GLU A 33 -3.241 2.134 5.758 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.286 2.135 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.835 2.155 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.111 2.366 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.477 4.512 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.214 4.285 6.790 1.00 0.00 H new ATOM 513 N LEU A 34 -0.200 -0.292 5.795 1.00 0.00 N ATOM 514 CA LEU A 34 -0.130 -1.741 5.875 1.00 0.00 C ATOM 515 C LEU A 34 0.732 -2.141 7.074 1.00 0.00 C ATOM 516 O LEU A 34 1.365 -1.291 7.698 1.00 0.00 O ATOM 517 CB LEU A 34 0.354 -2.329 4.547 1.00 0.00 C ATOM 518 CG LEU A 34 -0.697 -2.441 3.441 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.069 -2.934 2.136 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.867 -3.322 3.883 1.00 0.00 C ATOM 0 H LEU A 34 0.616 0.152 5.374 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.122 -2.161 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.176 -1.715 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.759 -3.323 4.738 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.098 -1.446 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.838 -3.005 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.702 -2.233 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.377 -3.916 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.600 -3.385 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.501 -4.321 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.335 -2.889 4.767 1.00 0.00 H new ATOM 532 N ASP A 35 0.728 -3.434 7.361 1.00 0.00 N ATOM 533 CA ASP A 35 1.502 -3.956 8.474 1.00 0.00 C ATOM 534 C ASP A 35 2.973 -4.056 8.065 1.00 0.00 C ATOM 535 O ASP A 35 3.283 -4.219 6.887 1.00 0.00 O ATOM 536 CB ASP A 35 1.025 -5.356 8.868 1.00 0.00 C ATOM 537 CG ASP A 35 1.211 -6.429 7.794 1.00 0.00 C ATOM 538 OD1 ASP A 35 2.366 -6.880 7.637 1.00 0.00 O ATOM 539 OD2 ASP A 35 0.194 -6.773 7.154 1.00 0.00 O ATOM 0 H ASP A 35 0.201 -4.136 6.842 1.00 0.00 H new ATOM 0 HA ASP A 35 1.375 -3.280 9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.559 -5.666 9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.032 -5.303 9.128 1.00 0.00 H new ATOM 544 N PRO A 36 3.862 -3.951 9.089 1.00 0.00 N ATOM 545 CA PRO A 36 5.293 -4.027 8.848 1.00 0.00 C ATOM 546 C PRO A 36 5.726 -5.469 8.573 1.00 0.00 C ATOM 547 O PRO A 36 5.578 -6.339 9.430 1.00 0.00 O ATOM 548 CB PRO A 36 5.934 -3.442 10.095 1.00 0.00 C ATOM 549 CG PRO A 36 4.864 -3.488 11.175 1.00 0.00 C ATOM 550 CD PRO A 36 3.530 -3.757 10.497 1.00 0.00 C ATOM 0 HA PRO A 36 5.601 -3.472 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.811 -4.018 10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.268 -2.419 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.088 -4.269 11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.832 -2.545 11.721 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.044 -4.639 10.914 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.843 -2.922 10.630 1.00 0.00 H new ATOM 558 N CYS A 37 6.253 -5.677 7.376 1.00 0.00 N ATOM 559 CA CYS A 37 6.709 -6.998 6.978 1.00 0.00 C ATOM 560 C CYS A 37 8.115 -7.211 7.543 1.00 0.00 C ATOM 561 O CYS A 37 8.823 -6.249 7.835 1.00 0.00 O ATOM 562 CB CYS A 37 6.672 -7.175 5.458 1.00 0.00 C ATOM 563 SG CYS A 37 5.030 -6.687 4.812 1.00 0.00 S ATOM 0 H CYS A 37 6.375 -4.953 6.668 1.00 0.00 H new ATOM 0 HA CYS A 37 6.037 -7.755 7.383 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.450 -6.569 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.880 -8.213 5.199 1.00 0.00 H new ATOM 0 HG CYS A 37 4.761 -7.378 3.744 1.00 0.00 H new ATOM 569 N THR A 38 8.477 -8.478 7.679 1.00 0.00 N ATOM 570 CA THR A 38 9.786 -8.830 8.204 1.00 0.00 C ATOM 571 C THR A 38 10.866 -8.590 7.148 1.00 0.00 C ATOM 572 O THR A 38 12.032 -8.384 7.482 1.00 0.00 O ATOM 573 CB THR A 38 9.725 -10.279 8.692 1.00 0.00 C ATOM 574 OG1 THR A 38 11.092 -10.652 8.841 1.00 0.00 O ATOM 575 CG2 THR A 38 9.192 -11.235 7.624 1.00 0.00 C ATOM 0 H THR A 38 7.887 -9.274 7.435 1.00 0.00 H new ATOM 0 HA THR A 38 10.056 -8.198 9.050 1.00 0.00 H new ATOM 0 HB THR A 38 9.093 -10.337 9.578 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.146 -11.578 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.169 -12.249 8.022 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.184 -10.935 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.842 -11.203 6.750 1.00 0.00 H new ATOM 583 N GLY A 39 10.440 -8.623 5.894 1.00 0.00 N ATOM 584 CA GLY A 39 11.357 -8.411 4.786 1.00 0.00 C ATOM 585 C GLY A 39 10.857 -9.110 3.520 1.00 0.00 C ATOM 586 O GLY A 39 10.522 -8.453 2.535 1.00 0.00 O ATOM 0 H GLY A 39 9.472 -8.793 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.465 -7.343 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.345 -8.790 5.049 1.00 0.00 H new ATOM 590 N PHE A 40 10.824 -10.433 3.586 1.00 0.00 N ATOM 591 CA PHE A 40 10.371 -11.228 2.457 1.00 0.00 C ATOM 592 C PHE A 40 9.003 -10.751 1.964 1.00 0.00 C ATOM 593 O PHE A 40 8.875 -10.287 0.832 1.00 0.00 O ATOM 594 CB PHE A 40 10.248 -12.672 2.948 1.00 0.00 C ATOM 595 CG PHE A 40 10.121 -13.702 1.824 1.00 0.00 C ATOM 596 CD1 PHE A 40 10.926 -13.618 0.731 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.203 -14.701 1.917 1.00 0.00 C ATOM 598 CE1 PHE A 40 10.808 -14.575 -0.313 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.085 -15.657 0.874 1.00 0.00 C ATOM 600 CZ PHE A 40 9.890 -15.574 -0.219 1.00 0.00 C ATOM 0 H PHE A 40 11.104 -10.974 4.404 1.00 0.00 H new ATOM 0 HA PHE A 40 11.077 -11.138 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.122 -12.915 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.378 -12.751 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.655 -12.824 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.563 -14.767 2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.447 -14.509 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.356 -16.450 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.800 -16.301 -1.012 1.00 0.00 H new ATOM 610 N GLN A 41 8.016 -10.881 2.838 1.00 0.00 N ATOM 611 CA GLN A 41 6.663 -10.469 2.506 1.00 0.00 C ATOM 612 C GLN A 41 6.670 -9.066 1.896 1.00 0.00 C ATOM 613 O GLN A 41 5.969 -8.807 0.919 1.00 0.00 O ATOM 614 CB GLN A 41 5.755 -10.528 3.736 1.00 0.00 C ATOM 615 CG GLN A 41 5.145 -11.921 3.901 1.00 0.00 C ATOM 616 CD GLN A 41 5.692 -12.614 5.152 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.831 -13.049 5.204 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.820 -12.691 6.152 1.00 0.00 N ATOM 0 H GLN A 41 8.126 -11.266 3.776 1.00 0.00 H new ATOM 0 HA GLN A 41 6.263 -11.163 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.327 -10.270 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.960 -9.788 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.060 -11.841 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.365 -12.525 3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.882 -12.306 6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.089 -13.135 7.030 1.00 0.00 H new ATOM 627 N ARG A 42 7.470 -8.198 2.497 1.00 0.00 N ATOM 628 CA ARG A 42 7.577 -6.828 2.025 1.00 0.00 C ATOM 629 C ARG A 42 7.797 -6.804 0.511 1.00 0.00 C ATOM 630 O ARG A 42 7.065 -6.133 -0.215 1.00 0.00 O ATOM 631 CB ARG A 42 8.733 -6.097 2.713 1.00 0.00 C ATOM 632 CG ARG A 42 8.391 -4.623 2.940 1.00 0.00 C ATOM 633 CD ARG A 42 9.428 -3.954 3.846 1.00 0.00 C ATOM 634 NE ARG A 42 10.121 -2.874 3.109 1.00 0.00 N ATOM 635 CZ ARG A 42 11.337 -2.409 3.425 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.002 -2.928 4.467 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.889 -1.426 2.701 1.00 0.00 N ATOM 0 H ARG A 42 8.050 -8.417 3.307 1.00 0.00 H new ATOM 0 HA ARG A 42 6.644 -6.320 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.953 -6.574 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.633 -6.176 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.350 -4.104 1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.402 -4.540 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.941 -3.547 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.152 -4.692 4.192 1.00 0.00 H new ATOM 0 HE ARG A 42 9.643 -2.457 2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.582 -3.676 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.928 -2.575 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.383 -1.031 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.815 -1.073 2.943 1.00 0.00 H new ATOM 651 N LYS A 43 8.808 -7.544 0.080 1.00 0.00 N ATOM 652 CA LYS A 43 9.133 -7.616 -1.334 1.00 0.00 C ATOM 653 C LYS A 43 7.914 -8.120 -2.108 1.00 0.00 C ATOM 654 O LYS A 43 7.612 -7.622 -3.192 1.00 0.00 O ATOM 655 CB LYS A 43 10.392 -8.457 -1.553 1.00 0.00 C ATOM 656 CG LYS A 43 11.581 -7.873 -0.788 1.00 0.00 C ATOM 657 CD LYS A 43 12.893 -8.134 -1.532 1.00 0.00 C ATOM 658 CE LYS A 43 13.923 -7.045 -1.225 1.00 0.00 C ATOM 659 NZ LYS A 43 15.160 -7.267 -2.008 1.00 0.00 N ATOM 0 H LYS A 43 9.413 -8.099 0.685 1.00 0.00 H new ATOM 0 HA LYS A 43 9.369 -6.625 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.211 -9.481 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.625 -8.499 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.441 -6.800 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.629 -8.314 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.291 -9.107 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.706 -8.170 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.507 -6.066 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.155 -7.045 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.849 -6.519 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.564 -8.193 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.937 -7.244 -3.024 1.00 0.00 H new ATOM 673 N LEU A 44 7.246 -9.103 -1.522 1.00 0.00 N ATOM 674 CA LEU A 44 6.066 -9.681 -2.143 1.00 0.00 C ATOM 675 C LEU A 44 5.081 -8.564 -2.495 1.00 0.00 C ATOM 676 O LEU A 44 4.671 -8.434 -3.647 1.00 0.00 O ATOM 677 CB LEU A 44 5.468 -10.768 -1.248 1.00 0.00 C ATOM 678 CG LEU A 44 6.449 -11.816 -0.719 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.720 -12.888 0.094 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.271 -12.422 -1.858 1.00 0.00 C ATOM 0 H LEU A 44 7.500 -9.514 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 44 6.331 -10.178 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.988 -10.286 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.685 -11.281 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 44 7.148 -11.320 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.440 -13.621 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.216 -12.422 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.984 -13.386 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.960 -13.164 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.603 -12.899 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.836 -11.635 -2.357 1.00 0.00 H new ATOM 692 N ILE A 45 4.731 -7.786 -1.481 1.00 0.00 N ATOM 693 CA ILE A 45 3.802 -6.684 -1.669 1.00 0.00 C ATOM 694 C ILE A 45 4.225 -5.870 -2.893 1.00 0.00 C ATOM 695 O ILE A 45 3.462 -5.739 -3.850 1.00 0.00 O ATOM 696 CB ILE A 45 3.689 -5.855 -0.388 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.034 -6.665 0.733 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.952 -4.540 -0.651 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.156 -5.940 2.075 1.00 0.00 C ATOM 0 H ILE A 45 5.074 -7.897 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 45 2.798 -7.060 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 45 4.695 -5.600 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.982 -6.832 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.505 -7.646 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.885 -3.969 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.497 -3.960 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.949 -4.753 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.683 -6.536 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.209 -5.797 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.663 -4.970 2.011 1.00 0.00 H new ATOM 711 N TYR A 46 5.439 -5.344 -2.824 1.00 0.00 N ATOM 712 CA TYR A 46 5.973 -4.546 -3.915 1.00 0.00 C ATOM 713 C TYR A 46 5.933 -5.323 -5.233 1.00 0.00 C ATOM 714 O TYR A 46 5.665 -4.750 -6.288 1.00 0.00 O ATOM 715 CB TYR A 46 7.430 -4.256 -3.552 1.00 0.00 C ATOM 716 CG TYR A 46 7.607 -3.097 -2.569 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.112 -1.846 -2.880 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.261 -3.302 -1.371 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.279 -0.756 -1.955 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.427 -2.211 -0.446 1.00 0.00 C ATOM 721 CZ TYR A 46 7.928 -0.992 -0.783 1.00 0.00 C ATOM 722 OH TYR A 46 8.085 0.038 0.091 1.00 0.00 O ATOM 0 H TYR A 46 6.069 -5.455 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 46 5.387 -3.637 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.872 -5.155 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.984 -4.033 -4.464 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.600 -1.685 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.648 -4.280 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.897 0.228 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.937 -2.358 0.495 1.00 0.00 H new ATOM 0 HH TYR A 46 8.438 -0.304 0.939 1.00 0.00 H new ATOM 732 N GLN A 47 6.204 -6.616 -5.129 1.00 0.00 N ATOM 733 CA GLN A 47 6.203 -7.477 -6.299 1.00 0.00 C ATOM 734 C GLN A 47 4.809 -7.516 -6.929 1.00 0.00 C ATOM 735 O GLN A 47 4.666 -7.350 -8.139 1.00 0.00 O ATOM 736 CB GLN A 47 6.683 -8.886 -5.944 1.00 0.00 C ATOM 737 CG GLN A 47 7.945 -9.250 -6.730 1.00 0.00 C ATOM 738 CD GLN A 47 7.929 -10.724 -7.139 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.621 -11.609 -6.358 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.277 -10.938 -8.405 1.00 0.00 N ATOM 0 H GLN A 47 6.426 -7.088 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 47 6.899 -7.064 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.886 -8.946 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.895 -9.608 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.018 -8.623 -7.619 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.827 -9.047 -6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.524 -10.152 -9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.297 -11.888 -8.775 1.00 0.00 H new ATOM 749 N THR A 48 3.817 -7.734 -6.079 1.00 0.00 N ATOM 750 CA THR A 48 2.439 -7.797 -6.537 1.00 0.00 C ATOM 751 C THR A 48 1.983 -6.426 -7.041 1.00 0.00 C ATOM 752 O THR A 48 1.598 -6.284 -8.201 1.00 0.00 O ATOM 753 CB THR A 48 1.584 -8.338 -5.390 1.00 0.00 C ATOM 754 OG1 THR A 48 1.804 -9.745 -5.427 1.00 0.00 O ATOM 755 CG2 THR A 48 0.084 -8.189 -5.657 1.00 0.00 C ATOM 0 H THR A 48 3.940 -7.869 -5.075 1.00 0.00 H new ATOM 0 HA THR A 48 2.334 -8.473 -7.386 1.00 0.00 H new ATOM 0 HB THR A 48 1.842 -7.817 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.988 -10.196 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.477 -8.588 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.159 -7.135 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.181 -8.738 -6.561 1.00 0.00 H new ATOM 763 N LEU A 49 2.040 -5.452 -6.145 1.00 0.00 N ATOM 764 CA LEU A 49 1.637 -4.098 -6.484 1.00 0.00 C ATOM 765 C LEU A 49 2.348 -3.666 -7.768 1.00 0.00 C ATOM 766 O LEU A 49 1.885 -2.764 -8.465 1.00 0.00 O ATOM 767 CB LEU A 49 1.876 -3.156 -5.302 1.00 0.00 C ATOM 768 CG LEU A 49 1.236 -3.569 -3.975 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.669 -2.635 -2.844 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.286 -3.649 -4.102 1.00 0.00 C ATOM 0 H LEU A 49 2.359 -5.574 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 49 0.566 -4.057 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.951 -3.061 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.504 -2.167 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 49 1.590 -4.568 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.200 -2.950 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.753 -2.673 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.363 -1.615 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.716 -3.944 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.679 -2.674 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.550 -4.386 -4.861 1.00 0.00 H new ATOM 782 N SER A 50 3.461 -4.330 -8.043 1.00 0.00 N ATOM 783 CA SER A 50 4.240 -4.026 -9.231 1.00 0.00 C ATOM 784 C SER A 50 3.356 -4.124 -10.476 1.00 0.00 C ATOM 785 O SER A 50 3.443 -3.286 -11.372 1.00 0.00 O ATOM 786 CB SER A 50 5.441 -4.965 -9.358 1.00 0.00 C ATOM 787 OG SER A 50 6.598 -4.289 -9.843 1.00 0.00 O ATOM 0 H SER A 50 3.842 -5.078 -7.463 1.00 0.00 H new ATOM 0 HA SER A 50 4.618 -3.008 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.660 -5.407 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.191 -5.785 -10.032 1.00 0.00 H new ATOM 0 HG SER A 50 7.343 -4.922 -9.908 1.00 0.00 H new ATOM 793 N TRP A 51 2.525 -5.156 -10.492 1.00 0.00 N ATOM 794 CA TRP A 51 1.626 -5.375 -11.612 1.00 0.00 C ATOM 795 C TRP A 51 0.198 -5.109 -11.131 1.00 0.00 C ATOM 796 O TRP A 51 -0.647 -4.656 -11.902 1.00 0.00 O ATOM 797 CB TRP A 51 1.808 -6.777 -12.196 1.00 0.00 C ATOM 798 CG TRP A 51 1.839 -7.889 -11.146 1.00 0.00 C ATOM 799 CD1 TRP A 51 2.911 -8.453 -10.572 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.698 -8.554 -10.564 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.546 -9.428 -9.667 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.157 -9.492 -9.661 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.677 -8.369 -10.792 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.308 -10.318 -8.915 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.512 -9.202 -10.038 1.00 0.00 C ATOM 806 CH2 TRP A 51 -1.066 -10.151 -9.126 1.00 0.00 C ATOM 0 H TRP A 51 2.456 -5.849 -9.747 1.00 0.00 H new ATOM 0 HA TRP A 51 1.853 -4.689 -12.428 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.997 -6.976 -12.897 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.736 -6.804 -12.767 1.00 0.00 H new ATOM 0 HD1 TRP A 51 3.932 -8.178 -10.791 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.179 -9.997 -9.105 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.059 -7.642 -11.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.692 -11.045 -8.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.578 -9.100 -10.175 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.776 -10.757 -8.583 1.00 0.00 H new ATOM 817 N LYS A 52 -0.028 -5.403 -9.859 1.00 0.00 N ATOM 818 CA LYS A 52 -1.340 -5.201 -9.266 1.00 0.00 C ATOM 819 C LYS A 52 -1.718 -3.722 -9.367 1.00 0.00 C ATOM 820 O LYS A 52 -2.879 -3.389 -9.598 1.00 0.00 O ATOM 821 CB LYS A 52 -1.371 -5.748 -7.838 1.00 0.00 C ATOM 822 CG LYS A 52 -1.895 -7.186 -7.812 1.00 0.00 C ATOM 823 CD LYS A 52 -2.811 -7.415 -6.609 1.00 0.00 C ATOM 824 CE LYS A 52 -4.283 -7.306 -7.011 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.882 -8.653 -7.153 1.00 0.00 N ATOM 0 H LYS A 52 0.675 -5.779 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.097 -5.762 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.369 -5.715 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.004 -5.115 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.439 -7.395 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.057 -7.881 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.619 -8.400 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.587 -6.683 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.830 -6.735 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.370 -6.762 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.702 -8.603 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.176 -9.307 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.189 -8.997 -6.221 1.00 0.00 H new ATOM 839 N TYR A 53 -0.716 -2.874 -9.188 1.00 0.00 N ATOM 840 CA TYR A 53 -0.929 -1.438 -9.256 1.00 0.00 C ATOM 841 C TYR A 53 0.380 -0.703 -9.550 1.00 0.00 C ATOM 842 O TYR A 53 1.012 -0.165 -8.641 1.00 0.00 O ATOM 843 CB TYR A 53 -1.435 -1.021 -7.874 1.00 0.00 C ATOM 844 CG TYR A 53 -2.623 -1.845 -7.372 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.905 -1.520 -7.767 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.412 -2.913 -6.523 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.022 -2.295 -7.294 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.530 -3.688 -6.051 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.780 -3.341 -6.459 1.00 0.00 C ATOM 850 OH TYR A 53 -5.835 -4.074 -6.013 1.00 0.00 O ATOM 0 H TYR A 53 0.246 -3.154 -8.996 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.633 -1.192 -10.051 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.618 -1.107 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.722 0.030 -7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.070 -0.684 -8.431 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.409 -3.167 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.030 -2.051 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.379 -4.527 -5.387 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.548 -4.065 -6.686 1.00 0.00 H new ATOM 860 N PRO A 54 0.759 -0.703 -10.856 1.00 0.00 N ATOM 861 CA PRO A 54 1.981 -0.042 -11.281 1.00 0.00 C ATOM 862 C PRO A 54 1.806 1.478 -11.295 1.00 0.00 C ATOM 863 O PRO A 54 2.670 2.210 -10.816 1.00 0.00 O ATOM 864 CB PRO A 54 2.283 -0.618 -12.655 1.00 0.00 C ATOM 865 CG PRO A 54 0.980 -1.229 -13.146 1.00 0.00 C ATOM 866 CD PRO A 54 0.036 -1.329 -11.959 1.00 0.00 C ATOM 0 HA PRO A 54 2.813 -0.217 -10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.631 0.158 -13.336 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.070 -1.370 -12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.542 -0.613 -13.931 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.159 -2.215 -13.576 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.905 -0.816 -12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.208 -2.367 -11.734 1.00 0.00 H new ATOM 874 N LYS A 55 0.683 1.907 -11.851 1.00 0.00 N ATOM 875 CA LYS A 55 0.384 3.327 -11.934 1.00 0.00 C ATOM 876 C LYS A 55 -1.031 3.577 -11.407 1.00 0.00 C ATOM 877 O LYS A 55 -2.000 3.040 -11.941 1.00 0.00 O ATOM 878 CB LYS A 55 0.609 3.839 -13.358 1.00 0.00 C ATOM 879 CG LYS A 55 -0.283 3.097 -14.355 1.00 0.00 C ATOM 880 CD LYS A 55 0.555 2.425 -15.445 1.00 0.00 C ATOM 881 CE LYS A 55 0.914 3.418 -16.552 1.00 0.00 C ATOM 882 NZ LYS A 55 1.292 2.700 -17.790 1.00 0.00 N ATOM 0 H LYS A 55 -0.031 1.297 -12.249 1.00 0.00 H new ATOM 0 HA LYS A 55 1.065 3.898 -11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.398 4.908 -13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.655 3.709 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.874 2.346 -13.831 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.986 3.795 -14.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.466 2.017 -15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.002 1.587 -15.869 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.066 4.074 -16.749 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.738 4.052 -16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.533 3.389 -18.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.115 2.093 -17.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.494 2.113 -18.108 1.00 0.00 H new ATOM 896 N GLY A 56 -1.104 4.394 -10.366 1.00 0.00 N ATOM 897 CA GLY A 56 -2.384 4.722 -9.761 1.00 0.00 C ATOM 898 C GLY A 56 -2.231 4.979 -8.261 1.00 0.00 C ATOM 899 O GLY A 56 -2.955 5.793 -7.690 1.00 0.00 O ATOM 0 H GLY A 56 -0.298 4.838 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.803 5.605 -10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.087 3.905 -9.924 1.00 0.00 H new ATOM 903 N ILE A 57 -1.285 4.269 -7.665 1.00 0.00 N ATOM 904 CA ILE A 57 -1.028 4.410 -6.241 1.00 0.00 C ATOM 905 C ILE A 57 0.476 4.572 -6.013 1.00 0.00 C ATOM 906 O ILE A 57 1.279 4.249 -6.886 1.00 0.00 O ATOM 907 CB ILE A 57 -1.645 3.243 -5.467 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.334 1.908 -6.148 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.148 3.450 -5.271 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.172 1.736 -6.354 1.00 0.00 C ATOM 0 H ILE A 57 -0.687 3.594 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.509 5.309 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.192 3.212 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.718 1.088 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.844 1.859 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.562 2.607 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.319 4.370 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.635 3.521 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.366 0.780 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.548 2.544 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.677 1.761 -5.388 1.00 0.00 H new ATOM 922 N HIS A 58 0.812 5.074 -4.833 1.00 0.00 N ATOM 923 CA HIS A 58 2.205 5.283 -4.478 1.00 0.00 C ATOM 924 C HIS A 58 2.509 4.580 -3.154 1.00 0.00 C ATOM 925 O HIS A 58 1.982 4.961 -2.110 1.00 0.00 O ATOM 926 CB HIS A 58 2.540 6.776 -4.448 1.00 0.00 C ATOM 927 CG HIS A 58 3.854 7.097 -3.777 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.819 7.898 -4.363 1.00 0.00 N ATOM 929 CD2 HIS A 58 4.352 6.719 -2.565 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.847 7.990 -3.532 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.556 7.258 -2.419 1.00 0.00 N ATOM 0 H HIS A 58 0.143 5.342 -4.111 1.00 0.00 H new ATOM 0 HA HIS A 58 2.848 4.841 -5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.564 7.153 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.741 7.307 -3.931 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.750 8.342 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.851 6.088 -1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.756 8.547 -3.706 1.00 0.00 H new ATOM 939 N VAL A 59 3.358 3.566 -3.240 1.00 0.00 N ATOM 940 CA VAL A 59 3.738 2.807 -2.061 1.00 0.00 C ATOM 941 C VAL A 59 5.034 3.381 -1.485 1.00 0.00 C ATOM 942 O VAL A 59 6.033 3.498 -2.193 1.00 0.00 O ATOM 943 CB VAL A 59 3.845 1.321 -2.408 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.121 0.484 -1.157 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.586 0.833 -3.128 1.00 0.00 C ATOM 0 H VAL A 59 3.793 3.253 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 59 2.973 2.893 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 59 4.688 1.196 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.192 -0.568 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.059 0.805 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.308 0.618 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.689 -0.226 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.719 0.979 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.452 1.398 -4.051 1.00 0.00 H new ATOM 955 N GLU A 60 4.975 3.725 -0.207 1.00 0.00 N ATOM 956 CA GLU A 60 6.132 4.284 0.472 1.00 0.00 C ATOM 957 C GLU A 60 6.390 3.538 1.782 1.00 0.00 C ATOM 958 O GLU A 60 5.464 3.001 2.388 1.00 0.00 O ATOM 959 CB GLU A 60 5.949 5.783 0.721 1.00 0.00 C ATOM 960 CG GLU A 60 4.587 6.072 1.355 1.00 0.00 C ATOM 961 CD GLU A 60 3.709 6.899 0.414 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.226 7.916 -0.097 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.540 6.496 0.228 1.00 0.00 O ATOM 0 H GLU A 60 4.144 3.627 0.376 1.00 0.00 H new ATOM 0 HA GLU A 60 7.003 4.159 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.742 6.146 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.038 6.325 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.087 5.134 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.725 6.608 2.294 1.00 0.00 H new ATOM 970 N THR A 61 7.654 3.528 2.181 1.00 0.00 N ATOM 971 CA THR A 61 8.046 2.857 3.408 1.00 0.00 C ATOM 972 C THR A 61 8.355 3.881 4.501 1.00 0.00 C ATOM 973 O THR A 61 9.394 4.539 4.465 1.00 0.00 O ATOM 974 CB THR A 61 9.225 1.936 3.087 1.00 0.00 C ATOM 975 OG1 THR A 61 8.669 0.947 2.225 1.00 0.00 O ATOM 976 CG2 THR A 61 9.698 1.143 4.308 1.00 0.00 C ATOM 0 H THR A 61 8.419 3.974 1.676 1.00 0.00 H new ATOM 0 HA THR A 61 7.234 2.245 3.801 1.00 0.00 H new ATOM 0 HB THR A 61 10.052 2.529 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.648 1.288 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.536 0.506 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.015 1.833 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.881 0.525 4.679 1.00 0.00 H new ATOM 984 N LEU A 62 7.434 3.985 5.448 1.00 0.00 N ATOM 985 CA LEU A 62 7.595 4.919 6.549 1.00 0.00 C ATOM 986 C LEU A 62 8.114 4.168 7.777 1.00 0.00 C ATOM 987 O LEU A 62 7.708 3.035 8.034 1.00 0.00 O ATOM 988 CB LEU A 62 6.293 5.682 6.800 1.00 0.00 C ATOM 989 CG LEU A 62 5.664 6.355 5.578 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.216 6.760 5.860 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.510 7.540 5.109 1.00 0.00 C ATOM 0 H LEU A 62 6.574 3.438 5.475 1.00 0.00 H new ATOM 0 HA LEU A 62 8.338 5.677 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.565 4.990 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.482 6.446 7.554 1.00 0.00 H new ATOM 0 HG LEU A 62 5.643 5.632 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.792 7.236 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.632 5.874 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.190 7.459 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.041 8.000 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.585 8.274 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.507 7.192 4.841 1.00 0.00 H new ATOM 1003 N GLU A 63 9.003 4.829 8.504 1.00 0.00 N ATOM 1004 CA GLU A 63 9.581 4.238 9.699 1.00 0.00 C ATOM 1005 C GLU A 63 9.354 5.150 10.906 1.00 0.00 C ATOM 1006 O GLU A 63 9.613 6.351 10.838 1.00 0.00 O ATOM 1007 CB GLU A 63 11.071 3.949 9.502 1.00 0.00 C ATOM 1008 CG GLU A 63 11.619 3.091 10.644 1.00 0.00 C ATOM 1009 CD GLU A 63 13.077 3.444 10.944 1.00 0.00 C ATOM 1010 OE1 GLU A 63 13.297 4.562 11.456 1.00 0.00 O ATOM 1011 OE2 GLU A 63 13.939 2.586 10.654 1.00 0.00 O ATOM 0 H GLU A 63 9.337 5.768 8.288 1.00 0.00 H new ATOM 0 HA GLU A 63 9.082 3.288 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.223 3.437 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.623 4.887 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.014 3.240 11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.543 2.036 10.380 1.00 0.00 H new ATOM 1018 N THR A 64 8.873 4.546 11.982 1.00 0.00 N ATOM 1019 CA THR A 64 8.608 5.289 13.202 1.00 0.00 C ATOM 1020 C THR A 64 9.221 4.572 14.407 1.00 0.00 C ATOM 1021 O THR A 64 10.331 4.049 14.323 1.00 0.00 O ATOM 1022 CB THR A 64 7.095 5.486 13.317 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.624 4.251 13.851 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.412 5.586 11.952 1.00 0.00 C ATOM 0 H THR A 64 8.660 3.550 12.035 1.00 0.00 H new ATOM 0 HA THR A 64 9.077 6.273 13.176 1.00 0.00 H new ATOM 0 HB THR A 64 6.889 6.388 13.893 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.946 4.428 14.536 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.340 5.725 12.091 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.820 6.434 11.402 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.589 4.670 11.389 1.00 0.00 H new ATOM 1032 N ASP A 65 8.471 4.572 15.499 1.00 0.00 N ATOM 1033 CA ASP A 65 8.926 3.928 16.719 1.00 0.00 C ATOM 1034 C ASP A 65 8.414 2.487 16.753 1.00 0.00 C ATOM 1035 O ASP A 65 9.203 1.543 16.740 1.00 0.00 O ATOM 1036 CB ASP A 65 8.389 4.649 17.957 1.00 0.00 C ATOM 1037 CG ASP A 65 9.259 4.522 19.209 1.00 0.00 C ATOM 1038 OD1 ASP A 65 10.464 4.835 19.096 1.00 0.00 O ATOM 1039 OD2 ASP A 65 8.700 4.115 20.250 1.00 0.00 O ATOM 0 H ASP A 65 7.551 5.008 15.564 1.00 0.00 H new ATOM 0 HA ASP A 65 10.016 3.958 16.728 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.272 5.707 17.720 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.396 4.261 18.182 1.00 0.00 H new ATOM 1044 N LYS A 66 7.095 2.362 16.794 1.00 0.00 N ATOM 1045 CA LYS A 66 6.468 1.052 16.829 1.00 0.00 C ATOM 1046 C LYS A 66 6.085 0.637 15.408 1.00 0.00 C ATOM 1047 O LYS A 66 6.199 -0.534 15.047 1.00 0.00 O ATOM 1048 CB LYS A 66 5.294 1.046 17.810 1.00 0.00 C ATOM 1049 CG LYS A 66 4.150 1.927 17.301 1.00 0.00 C ATOM 1050 CD LYS A 66 2.931 1.827 18.220 1.00 0.00 C ATOM 1051 CE LYS A 66 1.631 1.913 17.417 1.00 0.00 C ATOM 1052 NZ LYS A 66 0.719 0.808 17.789 1.00 0.00 N ATOM 0 H LYS A 66 6.444 3.147 16.804 1.00 0.00 H new ATOM 0 HA LYS A 66 7.168 0.304 17.202 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.937 0.026 17.950 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.627 1.404 18.784 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.482 2.963 17.243 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.874 1.624 16.291 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.962 0.886 18.770 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.961 2.629 18.958 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.145 2.871 17.601 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.851 1.867 16.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.158 0.881 17.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.179 -0.103 17.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.495 0.869 18.803 1.00 0.00 H new ATOM 1066 N LYS A 67 5.638 1.619 14.639 1.00 0.00 N ATOM 1067 CA LYS A 67 5.237 1.370 13.264 1.00 0.00 C ATOM 1068 C LYS A 67 6.452 0.907 12.459 1.00 0.00 C ATOM 1069 O LYS A 67 6.322 0.100 11.540 1.00 0.00 O ATOM 1070 CB LYS A 67 4.543 2.601 12.678 1.00 0.00 C ATOM 1071 CG LYS A 67 3.067 2.314 12.391 1.00 0.00 C ATOM 1072 CD LYS A 67 2.197 3.526 12.729 1.00 0.00 C ATOM 1073 CE LYS A 67 0.943 3.562 11.853 1.00 0.00 C ATOM 1074 NZ LYS A 67 -0.201 2.944 12.560 1.00 0.00 N ATOM 0 H LYS A 67 5.545 2.589 14.942 1.00 0.00 H new ATOM 0 HA LYS A 67 4.501 0.567 13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.626 3.436 13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.044 2.902 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.941 2.053 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.740 1.453 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.910 3.490 13.780 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.771 4.441 12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.703 4.593 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.130 3.033 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.044 2.977 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.024 1.954 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.389 3.466 13.440 1.00 0.00 H new ATOM 1088 N GLU A 68 7.607 1.439 12.832 1.00 0.00 N ATOM 1089 CA GLU A 68 8.845 1.090 12.156 1.00 0.00 C ATOM 1090 C GLU A 68 8.635 1.073 10.641 1.00 0.00 C ATOM 1091 O GLU A 68 7.619 1.558 10.145 1.00 0.00 O ATOM 1092 CB GLU A 68 9.380 -0.255 12.651 1.00 0.00 C ATOM 1093 CG GLU A 68 8.443 -1.398 12.253 1.00 0.00 C ATOM 1094 CD GLU A 68 9.123 -2.755 12.443 1.00 0.00 C ATOM 1095 OE1 GLU A 68 10.350 -2.813 12.214 1.00 0.00 O ATOM 1096 OE2 GLU A 68 8.399 -3.705 12.813 1.00 0.00 O ATOM 0 H GLU A 68 7.711 2.109 13.594 1.00 0.00 H new ATOM 0 HA GLU A 68 9.591 1.849 12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.372 -0.431 12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.489 -0.230 13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.535 -1.355 12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.142 -1.281 11.212 1.00 0.00 H new ATOM 1103 N ARG A 69 9.613 0.509 9.946 1.00 0.00 N ATOM 1104 CA ARG A 69 9.548 0.423 8.497 1.00 0.00 C ATOM 1105 C ARG A 69 8.287 -0.329 8.066 1.00 0.00 C ATOM 1106 O ARG A 69 8.309 -1.549 7.913 1.00 0.00 O ATOM 1107 CB ARG A 69 10.777 -0.292 7.933 1.00 0.00 C ATOM 1108 CG ARG A 69 11.509 0.592 6.921 1.00 0.00 C ATOM 1109 CD ARG A 69 13.021 0.551 7.149 1.00 0.00 C ATOM 1110 NE ARG A 69 13.728 0.500 5.850 1.00 0.00 N ATOM 1111 CZ ARG A 69 15.055 0.623 5.711 1.00 0.00 C ATOM 1112 NH1 ARG A 69 15.827 0.806 6.791 1.00 0.00 N ATOM 1113 NH2 ARG A 69 15.610 0.565 4.493 1.00 0.00 N ATOM 0 H ARG A 69 10.454 0.107 10.360 1.00 0.00 H new ATOM 0 HA ARG A 69 9.521 1.440 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.453 -0.557 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.473 -1.223 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.281 0.257 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.153 1.619 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.336 1.431 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.283 -0.320 7.749 1.00 0.00 H new ATOM 0 HE ARG A 69 13.170 0.363 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.404 0.852 7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.837 0.900 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.022 0.427 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.620 0.659 4.388 1.00 0.00 H new ATOM 1127 N HIS A 70 7.217 0.431 7.884 1.00 0.00 N ATOM 1128 CA HIS A 70 5.949 -0.148 7.474 1.00 0.00 C ATOM 1129 C HIS A 70 5.559 0.394 6.097 1.00 0.00 C ATOM 1130 O HIS A 70 5.855 1.543 5.772 1.00 0.00 O ATOM 1131 CB HIS A 70 4.873 0.095 8.534 1.00 0.00 C ATOM 1132 CG HIS A 70 4.155 1.416 8.389 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.836 1.597 8.764 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.588 2.617 7.908 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.499 2.854 8.515 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.586 3.484 7.984 1.00 0.00 N ATOM 0 H HIS A 70 7.202 1.443 8.013 1.00 0.00 H new ATOM 0 HA HIS A 70 6.050 -1.230 7.385 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.141 -0.712 8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.333 0.050 9.521 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.226 0.884 9.164 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.578 2.827 7.530 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.533 3.301 8.700 1.00 0.00 H new ATOM 1144 N ILE A 71 4.900 -0.459 5.326 1.00 0.00 N ATOM 1145 CA ILE A 71 4.466 -0.080 3.992 1.00 0.00 C ATOM 1146 C ILE A 71 3.263 0.859 4.100 1.00 0.00 C ATOM 1147 O ILE A 71 2.402 0.676 4.959 1.00 0.00 O ATOM 1148 CB ILE A 71 4.201 -1.323 3.141 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.512 -1.942 2.651 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.250 -1.005 1.986 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.278 -3.343 2.084 1.00 0.00 C ATOM 0 H ILE A 71 4.656 -1.411 5.600 1.00 0.00 H new ATOM 0 HA ILE A 71 5.254 0.468 3.476 1.00 0.00 H new ATOM 0 HB ILE A 71 3.708 -2.067 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.955 -1.305 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.224 -1.993 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.079 -1.906 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.301 -0.646 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.692 -0.236 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.225 -3.760 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.857 -3.984 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.584 -3.285 1.245 1.00 0.00 H new ATOM 1163 N VAL A 72 3.241 1.846 3.215 1.00 0.00 N ATOM 1164 CA VAL A 72 2.158 2.814 3.199 1.00 0.00 C ATOM 1165 C VAL A 72 1.753 3.096 1.751 1.00 0.00 C ATOM 1166 O VAL A 72 2.610 3.277 0.887 1.00 0.00 O ATOM 1167 CB VAL A 72 2.572 4.075 3.961 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.740 5.280 3.519 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.469 3.861 5.472 1.00 0.00 C ATOM 0 H VAL A 72 3.957 1.996 2.504 1.00 0.00 H new ATOM 0 HA VAL A 72 1.281 2.415 3.710 1.00 0.00 H new ATOM 0 HB VAL A 72 3.615 4.283 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.054 6.163 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.887 5.452 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.685 5.085 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.769 4.772 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.440 3.616 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.125 3.042 5.769 1.00 0.00 H new ATOM 1179 N ILE A 73 0.447 3.125 1.531 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.082 3.382 0.202 1.00 0.00 C ATOM 1181 C ILE A 73 -0.714 4.776 0.170 1.00 0.00 C ATOM 1182 O ILE A 73 -1.247 5.243 1.176 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.038 2.264 -0.219 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.301 0.929 -0.341 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.776 2.631 -1.509 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.007 0.337 1.039 1.00 0.00 C ATOM 0 H ILE A 73 -0.260 2.975 2.250 1.00 0.00 H new ATOM 0 HA ILE A 73 0.721 3.378 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.790 2.146 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.903 0.229 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.632 1.073 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.449 1.820 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.352 3.543 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.053 2.792 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.517 -0.612 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.615 1.029 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.944 0.171 1.571 1.00 0.00 H new ATOM 1198 N SER A 74 -0.633 5.400 -0.995 1.00 0.00 N ATOM 1199 CA SER A 74 -1.189 6.731 -1.171 1.00 0.00 C ATOM 1200 C SER A 74 -1.945 6.811 -2.499 1.00 0.00 C ATOM 1201 O SER A 74 -1.688 6.027 -3.412 1.00 0.00 O ATOM 1202 CB SER A 74 -0.094 7.798 -1.119 1.00 0.00 C ATOM 1203 OG SER A 74 -0.409 8.927 -1.929 1.00 0.00 O ATOM 0 H SER A 74 -0.191 5.009 -1.827 1.00 0.00 H new ATOM 0 HA SER A 74 -1.883 6.922 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.049 8.121 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.850 7.365 -1.451 1.00 0.00 H new ATOM 0 HG SER A 74 0.314 9.586 -1.867 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.862 7.765 -2.566 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.656 7.957 -3.767 1.00 0.00 C ATOM 1211 C LYS A 75 -2.842 8.751 -4.790 1.00 0.00 C ATOM 1212 O LYS A 75 -2.344 9.834 -4.487 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.002 8.597 -3.422 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.125 7.558 -3.442 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.630 7.269 -2.027 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.642 6.121 -2.030 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.694 6.356 -1.015 1.00 0.00 N ATOM 0 H LYS A 75 -3.073 8.414 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.893 6.997 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.947 9.059 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.224 9.391 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.948 7.919 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.764 6.636 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.789 7.016 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.092 8.165 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.095 6.030 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.133 5.179 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.620 6.087 -1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.495 5.783 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.707 7.363 -0.755 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.731 8.180 -5.981 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.985 8.821 -7.051 1.00 0.00 C ATOM 1233 C VAL A 76 -2.909 9.040 -8.251 1.00 0.00 C ATOM 1234 O VAL A 76 -3.913 8.346 -8.399 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.745 7.993 -7.394 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.060 8.649 -8.517 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.124 7.769 -6.155 1.00 0.00 C ATOM 0 H VAL A 76 -3.145 7.281 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.627 9.800 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.081 7.019 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.936 8.040 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.561 8.733 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.380 9.643 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.999 7.178 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.446 8.732 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.452 7.238 -5.398 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.535 10.006 -9.076 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.318 10.325 -10.258 1.00 0.00 C ATOM 1249 C ASP A 77 -2.413 10.986 -11.300 1.00 0.00 C ATOM 1250 O ASP A 77 -2.893 11.698 -12.181 1.00 0.00 O ATOM 1251 CB ASP A 77 -4.447 11.301 -9.925 1.00 0.00 C ATOM 1252 CG ASP A 77 -5.804 10.955 -10.541 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.933 9.809 -11.022 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.682 11.845 -10.517 1.00 0.00 O ATOM 0 H ASP A 77 -1.700 10.578 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.745 9.398 -10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.558 11.348 -8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.156 12.297 -10.259 1.00 0.00 H new ATOM 1259 N GLU A 78 -1.121 10.728 -11.165 1.00 0.00 N ATOM 1260 CA GLU A 78 -0.145 11.289 -12.084 1.00 0.00 C ATOM 1261 C GLU A 78 -0.479 10.889 -13.522 1.00 0.00 C ATOM 1262 O GLU A 78 -0.919 11.720 -14.316 1.00 0.00 O ATOM 1263 CB GLU A 78 1.273 10.856 -11.709 1.00 0.00 C ATOM 1264 CG GLU A 78 1.848 11.752 -10.610 1.00 0.00 C ATOM 1265 CD GLU A 78 1.807 13.224 -11.024 1.00 0.00 C ATOM 1266 OE1 GLU A 78 2.557 13.570 -11.962 1.00 0.00 O ATOM 1267 OE2 GLU A 78 1.026 13.969 -10.394 1.00 0.00 O ATOM 0 H GLU A 78 -0.727 10.138 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.188 12.376 -12.011 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.263 9.820 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.914 10.897 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.281 11.614 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.876 11.459 -10.398 1.00 0.00 H new ATOM 1274 N GLU A 79 -0.257 9.616 -13.815 1.00 0.00 N ATOM 1275 CA GLU A 79 -0.528 9.095 -15.144 1.00 0.00 C ATOM 1276 C GLU A 79 -1.831 9.684 -15.689 1.00 0.00 C ATOM 1277 O GLU A 79 -1.888 10.116 -16.839 1.00 0.00 O ATOM 1278 CB GLU A 79 -0.580 7.566 -15.134 1.00 0.00 C ATOM 1279 CG GLU A 79 0.748 6.970 -15.606 1.00 0.00 C ATOM 1280 CD GLU A 79 0.782 6.845 -17.130 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -0.051 6.076 -17.656 1.00 0.00 O ATOM 1282 OE2 GLU A 79 1.641 7.522 -17.736 1.00 0.00 O ATOM 0 H GLU A 79 0.108 8.930 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 79 0.287 9.394 -15.803 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.804 7.213 -14.128 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.388 7.222 -15.780 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.573 7.599 -15.271 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.891 5.989 -15.154 1.00 0.00 H new ATOM 1289 N GLU A 80 -2.846 9.683 -14.837 1.00 0.00 N ATOM 1290 CA GLU A 80 -4.144 10.211 -15.218 1.00 0.00 C ATOM 1291 C GLU A 80 -4.050 11.717 -15.475 1.00 0.00 C ATOM 1292 O GLU A 80 -4.298 12.177 -16.588 1.00 0.00 O ATOM 1293 CB GLU A 80 -5.197 9.902 -14.152 1.00 0.00 C ATOM 1294 CG GLU A 80 -6.562 9.636 -14.790 1.00 0.00 C ATOM 1295 CD GLU A 80 -7.696 9.985 -13.824 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -7.750 11.164 -13.413 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -8.484 9.064 -13.518 1.00 0.00 O ATOM 0 H GLU A 80 -2.795 9.324 -13.883 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.456 9.723 -16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.888 9.033 -13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.273 10.739 -13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.662 10.225 -15.702 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.635 8.587 -15.078 1.00 0.00 H new ATOM 1304 N ARG A 81 -3.691 12.442 -14.426 1.00 0.00 N ATOM 1305 CA ARG A 81 -3.561 13.886 -14.524 1.00 0.00 C ATOM 1306 C ARG A 81 -2.514 14.255 -15.577 1.00 0.00 C ATOM 1307 O ARG A 81 -1.686 13.425 -15.950 1.00 0.00 O ATOM 1308 CB ARG A 81 -3.158 14.495 -13.179 1.00 0.00 C ATOM 1309 CG ARG A 81 -3.743 15.900 -13.017 1.00 0.00 C ATOM 1310 CD ARG A 81 -4.510 16.026 -11.699 1.00 0.00 C ATOM 1311 NE ARG A 81 -5.312 17.269 -11.697 1.00 0.00 N ATOM 1312 CZ ARG A 81 -6.002 17.716 -10.639 1.00 0.00 C ATOM 1313 NH1 ARG A 81 -5.992 17.024 -9.491 1.00 0.00 N ATOM 1314 NH2 ARG A 81 -6.702 18.856 -10.728 1.00 0.00 N ATOM 0 H ARG A 81 -3.486 12.057 -13.504 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.532 14.287 -14.816 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.506 13.856 -12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.071 14.539 -13.106 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.941 16.637 -13.047 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.409 16.119 -13.852 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.162 15.163 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.812 16.032 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.342 17.820 -12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.459 16.157 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.517 17.364 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.709 19.383 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.227 19.196 -9.923 1.00 0.00 H new ATOM 1328 N SER A 82 -2.585 15.499 -16.026 1.00 0.00 N ATOM 1329 CA SER A 82 -1.654 15.987 -17.029 1.00 0.00 C ATOM 1330 C SER A 82 -0.244 16.062 -16.441 1.00 0.00 C ATOM 1331 O SER A 82 0.711 15.571 -17.042 1.00 0.00 O ATOM 1332 CB SER A 82 -2.082 17.358 -17.557 1.00 0.00 C ATOM 1333 OG SER A 82 -3.232 17.272 -18.395 1.00 0.00 O ATOM 0 H SER A 82 -3.273 16.184 -15.714 1.00 0.00 H new ATOM 0 HA SER A 82 -1.656 15.289 -17.866 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.294 18.020 -16.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.259 17.805 -18.115 1.00 0.00 H new ATOM 0 HG SER A 82 -3.475 18.168 -18.710 1.00 0.00 H new ATOM 1339 N GLY A 83 -0.156 16.680 -15.272 1.00 0.00 N ATOM 1340 CA GLY A 83 1.122 16.825 -14.596 1.00 0.00 C ATOM 1341 C GLY A 83 2.096 17.652 -15.437 1.00 0.00 C ATOM 1342 O GLY A 83 1.688 18.579 -16.135 1.00 0.00 O ATOM 0 H GLY A 83 -0.949 17.086 -14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.973 17.305 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.548 15.841 -14.402 1.00 0.00 H new ATOM 1346 N PRO A 84 3.400 17.277 -15.340 1.00 0.00 N ATOM 1347 CA PRO A 84 4.436 17.973 -16.084 1.00 0.00 C ATOM 1348 C PRO A 84 4.399 17.590 -17.565 1.00 0.00 C ATOM 1349 O PRO A 84 3.567 16.786 -17.981 1.00 0.00 O ATOM 1350 CB PRO A 84 5.738 17.585 -15.402 1.00 0.00 C ATOM 1351 CG PRO A 84 5.431 16.330 -14.602 1.00 0.00 C ATOM 1352 CD PRO A 84 3.920 16.184 -14.524 1.00 0.00 C ATOM 0 HA PRO A 84 4.305 19.055 -16.076 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.523 17.399 -16.135 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.092 18.385 -14.752 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.875 15.456 -15.078 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.860 16.400 -13.602 1.00 0.00 H new ATOM 0 HD2 PRO A 84 3.595 15.216 -14.905 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.568 16.256 -13.495 1.00 0.00 H new ATOM 1360 N SER A 85 5.311 18.185 -18.320 1.00 0.00 N ATOM 1361 CA SER A 85 5.394 17.916 -19.745 1.00 0.00 C ATOM 1362 C SER A 85 5.620 16.422 -19.984 1.00 0.00 C ATOM 1363 O SER A 85 4.806 15.763 -20.629 1.00 0.00 O ATOM 1364 CB SER A 85 6.512 18.733 -20.396 1.00 0.00 C ATOM 1365 OG SER A 85 6.446 18.691 -21.819 1.00 0.00 O ATOM 0 H SER A 85 5.999 18.853 -17.971 1.00 0.00 H new ATOM 0 HA SER A 85 4.451 18.212 -20.204 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.447 19.768 -20.061 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.478 18.352 -20.067 1.00 0.00 H new ATOM 0 HG SER A 85 7.175 19.226 -22.196 1.00 0.00 H new ATOM 1371 N SER A 86 6.729 15.932 -19.451 1.00 0.00 N ATOM 1372 CA SER A 86 7.073 14.527 -19.598 1.00 0.00 C ATOM 1373 C SER A 86 5.841 13.658 -19.340 1.00 0.00 C ATOM 1374 O SER A 86 5.429 12.886 -20.204 1.00 0.00 O ATOM 1375 CB SER A 86 8.208 14.136 -18.651 1.00 0.00 C ATOM 1376 OG SER A 86 8.939 13.010 -19.130 1.00 0.00 O ATOM 0 H SER A 86 7.401 16.482 -18.917 1.00 0.00 H new ATOM 0 HA SER A 86 7.417 14.363 -20.619 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.885 14.982 -18.527 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.797 13.910 -17.667 1.00 0.00 H new ATOM 0 HG SER A 86 9.656 12.793 -18.498 1.00 0.00 H new ATOM 1382 N GLY A 87 5.288 13.812 -18.145 1.00 0.00 N ATOM 1383 CA GLY A 87 4.111 13.050 -17.762 1.00 0.00 C ATOM 1384 C GLY A 87 4.415 11.550 -17.733 1.00 0.00 C ATOM 1385 O GLY A 87 3.807 10.805 -16.966 1.00 0.00 O ATOM 0 H GLY A 87 5.633 14.453 -17.430 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.767 13.374 -16.780 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.301 13.247 -18.464 1.00 0.00 H new TER 1389 GLY A 87