USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 685 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 65 ASN : amide:sc= 0.252 K(o=1.6,f=0.29) USER MOD Set 1.2: A 68 GLN : amide:sc= 1.37 K(o=1.6,f=-0.45) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.0726 K(o=-0.71,f=-1.3) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.633 X(o=-0.71,f=-0.41) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.0201 USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 4 HIS : no HD1:sc= -0.223 X(o=-0.28,f=-0.34) USER MOD Set 4.2: A 5 MET CE :methyl 167:sc= -0.0583 (180deg=-0.343) USER MOD Single : A 1 SER N :NH3+ -109:sc= 0.115 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0916) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.01) USER MOD Single : A 28 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.5) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 0.97 (180deg=0.841) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0.0476 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.281 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00556 USER MOD Single : A 47 HIS : no HD1:sc= 0.573 K(o=0.57,f=-1.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 52 SER OG : rot -151:sc= 1.96 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0.937) USER MOD Single : A 69 CYS SG : rot 140:sc= -0.328 USER MOD Single : A 70 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 77 MET CE :methyl 178:sc= -0.21 (180deg=-0.213) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -131:sc= -0.21 (180deg=-0.992) USER MOD Single : A 82 SER OG : rot -39:sc= 0.601 USER MOD Single : A 83 HIS : no HE2:sc= 0.00256 K(o=0.0026,f=-1.4) USER MOD Single : A 84 GLN : amide:sc= 0.051 K(o=0.051,f=-4.6!) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.023 (180deg=-0.266) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.632 0.710 -22.781 1.00 0.00 N ATOM 2 CA SER A 1 17.665 1.783 -21.771 1.00 0.00 C ATOM 3 C SER A 1 17.306 1.238 -20.394 1.00 0.00 C ATOM 4 O SER A 1 16.770 0.136 -20.276 1.00 0.00 O ATOM 5 CB SER A 1 16.720 2.916 -22.162 1.00 0.00 C ATOM 6 OG SER A 1 15.387 2.443 -22.219 1.00 0.00 O ATOM 0 H1 SER A 1 18.602 0.487 -23.082 1.00 0.00 H new ATOM 0 H2 SER A 1 17.193 -0.139 -22.371 1.00 0.00 H new ATOM 0 H3 SER A 1 17.078 1.024 -23.603 1.00 0.00 H new ATOM 0 HA SER A 1 18.679 2.180 -21.727 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.795 3.728 -21.439 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.011 3.324 -23.130 1.00 0.00 H new ATOM 0 HG SER A 1 14.789 3.178 -22.469 1.00 0.00 H new ATOM 12 N GLY A 2 17.603 2.011 -19.346 1.00 0.00 N ATOM 13 CA GLY A 2 17.316 1.628 -17.974 1.00 0.00 C ATOM 14 C GLY A 2 15.837 1.804 -17.641 1.00 0.00 C ATOM 15 O GLY A 2 15.048 2.247 -18.474 1.00 0.00 O ATOM 0 H GLY A 2 18.051 2.923 -19.433 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.604 0.588 -17.818 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.917 2.231 -17.294 1.00 0.00 H new ATOM 19 N SER A 3 15.468 1.446 -16.408 1.00 0.00 N ATOM 20 CA SER A 3 14.098 1.544 -15.918 1.00 0.00 C ATOM 21 C SER A 3 14.079 1.597 -14.391 1.00 0.00 C ATOM 22 O SER A 3 15.097 1.339 -13.744 1.00 0.00 O ATOM 23 CB SER A 3 13.287 0.347 -16.417 1.00 0.00 C ATOM 24 OG SER A 3 13.795 -0.853 -15.864 1.00 0.00 O ATOM 0 H SER A 3 16.122 1.077 -15.718 1.00 0.00 H new ATOM 0 HA SER A 3 13.651 2.463 -16.298 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.239 0.468 -16.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.327 0.300 -17.505 1.00 0.00 H new ATOM 0 HG SER A 3 13.267 -1.612 -16.189 1.00 0.00 H new ATOM 30 N HIS A 4 12.918 1.934 -13.819 1.00 0.00 N ATOM 31 CA HIS A 4 12.742 2.027 -12.374 1.00 0.00 C ATOM 32 C HIS A 4 11.280 1.767 -12.009 1.00 0.00 C ATOM 33 O HIS A 4 10.402 1.848 -12.866 1.00 0.00 O ATOM 34 CB HIS A 4 13.201 3.412 -11.902 1.00 0.00 C ATOM 35 CG HIS A 4 13.289 3.542 -10.405 1.00 0.00 C ATOM 36 ND1 HIS A 4 14.049 2.751 -9.562 1.00 0.00 N ATOM 37 CD2 HIS A 4 12.666 4.487 -9.639 1.00 0.00 C ATOM 38 CE1 HIS A 4 13.879 3.210 -8.304 1.00 0.00 C ATOM 39 NE2 HIS A 4 13.039 4.261 -8.328 1.00 0.00 N ATOM 0 H HIS A 4 12.075 2.150 -14.350 1.00 0.00 H new ATOM 0 HA HIS A 4 13.347 1.272 -11.873 1.00 0.00 H new ATOM 0 HB2 HIS A 4 14.178 3.628 -12.335 1.00 0.00 H new ATOM 0 HB3 HIS A 4 12.510 4.164 -12.283 1.00 0.00 H new ATOM 0 HD2 HIS A 4 12.006 5.265 -9.992 1.00 0.00 H new ATOM 0 HE1 HIS A 4 14.343 2.799 -7.419 1.00 0.00 H new ATOM 0 HE2 HIS A 4 12.731 4.798 -7.518 1.00 0.00 H new ATOM 48 N MET A 5 11.017 1.449 -10.737 1.00 0.00 N ATOM 49 CA MET A 5 9.679 1.122 -10.264 1.00 0.00 C ATOM 50 C MET A 5 8.765 2.352 -10.211 1.00 0.00 C ATOM 51 O MET A 5 7.562 2.206 -10.003 1.00 0.00 O ATOM 52 CB MET A 5 9.754 0.466 -8.882 1.00 0.00 C ATOM 53 CG MET A 5 10.529 -0.854 -8.922 1.00 0.00 C ATOM 54 SD MET A 5 12.332 -0.706 -9.020 1.00 0.00 S ATOM 55 CE MET A 5 12.669 -0.028 -7.372 1.00 0.00 C ATOM 0 H MET A 5 11.731 1.413 -10.010 1.00 0.00 H new ATOM 0 HA MET A 5 9.245 0.423 -10.979 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.234 1.149 -8.181 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.746 0.285 -8.510 1.00 0.00 H new ATOM 0 HG2 MET A 5 10.278 -1.428 -8.030 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.183 -1.431 -9.780 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.738 -0.086 -7.166 1.00 0.00 H new ATOM 0 HE2 MET A 5 12.349 1.013 -7.334 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.123 -0.603 -6.624 1.00 0.00 H new ATOM 65 N LYS A 6 9.329 3.551 -10.393 1.00 0.00 N ATOM 66 CA LYS A 6 8.590 4.809 -10.373 1.00 0.00 C ATOM 67 C LYS A 6 9.174 5.776 -11.401 1.00 0.00 C ATOM 68 O LYS A 6 10.321 5.624 -11.819 1.00 0.00 O ATOM 69 CB LYS A 6 8.629 5.437 -8.976 1.00 0.00 C ATOM 70 CG LYS A 6 7.988 4.524 -7.924 1.00 0.00 C ATOM 71 CD LYS A 6 7.915 5.217 -6.562 1.00 0.00 C ATOM 72 CE LYS A 6 9.310 5.563 -6.044 1.00 0.00 C ATOM 73 NZ LYS A 6 9.242 6.180 -4.707 1.00 0.00 N ATOM 0 H LYS A 6 10.328 3.672 -10.561 1.00 0.00 H new ATOM 0 HA LYS A 6 7.551 4.603 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.663 5.642 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.108 6.394 -8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.986 4.242 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.566 3.604 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.319 6.126 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.409 4.568 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.919 4.660 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.800 6.245 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.203 6.405 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.680 7.053 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.795 5.518 -4.041 1.00 0.00 H new ATOM 87 N THR A 7 8.386 6.772 -11.805 1.00 0.00 N ATOM 88 CA THR A 7 8.808 7.778 -12.768 1.00 0.00 C ATOM 89 C THR A 7 9.882 8.735 -12.265 1.00 0.00 C ATOM 90 O THR A 7 10.037 8.932 -11.061 1.00 0.00 O ATOM 91 CB THR A 7 7.621 8.517 -13.397 1.00 0.00 C ATOM 92 OG1 THR A 7 7.330 9.666 -12.633 1.00 0.00 O ATOM 93 CG2 THR A 7 6.363 7.658 -13.487 1.00 0.00 C ATOM 0 H THR A 7 7.432 6.901 -11.469 1.00 0.00 H new ATOM 0 HA THR A 7 9.297 7.209 -13.559 1.00 0.00 H new ATOM 0 HB THR A 7 7.913 8.779 -14.414 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.573 10.142 -13.033 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.559 8.237 -13.941 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.566 6.778 -14.098 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.064 7.344 -12.487 1.00 0.00 H new ATOM 101 N CYS A 8 10.627 9.329 -13.202 1.00 0.00 N ATOM 102 CA CYS A 8 11.657 10.312 -12.898 1.00 0.00 C ATOM 103 C CYS A 8 11.068 11.720 -12.744 1.00 0.00 C ATOM 104 O CYS A 8 11.809 12.681 -12.531 1.00 0.00 O ATOM 105 CB CYS A 8 12.724 10.283 -13.990 1.00 0.00 C ATOM 106 SG CYS A 8 13.539 8.667 -13.982 1.00 0.00 S ATOM 0 H CYS A 8 10.527 9.136 -14.199 1.00 0.00 H new ATOM 0 HA CYS A 8 12.113 10.052 -11.942 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.271 10.470 -14.963 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.455 11.073 -13.822 1.00 0.00 H new ATOM 0 HG CYS A 8 14.448 8.635 -14.911 1.00 0.00 H new ATOM 112 N VAL A 9 9.739 11.850 -12.851 1.00 0.00 N ATOM 113 CA VAL A 9 9.055 13.131 -12.757 1.00 0.00 C ATOM 114 C VAL A 9 9.077 13.684 -11.332 1.00 0.00 C ATOM 115 O VAL A 9 9.040 12.921 -10.365 1.00 0.00 O ATOM 116 CB VAL A 9 7.621 13.023 -13.293 1.00 0.00 C ATOM 117 CG1 VAL A 9 6.977 14.402 -13.430 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.599 12.332 -14.659 1.00 0.00 C ATOM 0 H VAL A 9 9.112 11.061 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 9 9.597 13.841 -13.382 1.00 0.00 H new ATOM 0 HB VAL A 9 7.055 12.431 -12.574 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.962 14.293 -13.812 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.948 14.888 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.561 15.009 -14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.572 12.267 -15.018 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.195 12.907 -15.367 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.014 11.329 -14.566 1.00 0.00 H new ATOM 128 N VAL A 10 9.136 15.012 -11.204 1.00 0.00 N ATOM 129 CA VAL A 10 9.144 15.697 -9.918 1.00 0.00 C ATOM 130 C VAL A 10 8.345 16.993 -9.988 1.00 0.00 C ATOM 131 O VAL A 10 8.120 17.537 -11.069 1.00 0.00 O ATOM 132 CB VAL A 10 10.579 15.980 -9.445 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.425 14.711 -9.387 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.269 16.984 -10.367 1.00 0.00 C ATOM 0 H VAL A 10 9.180 15.645 -12.002 1.00 0.00 H new ATOM 0 HA VAL A 10 8.671 15.036 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 10 10.496 16.393 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.431 14.959 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.972 14.003 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.477 14.263 -10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.283 17.168 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.307 16.582 -11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.710 17.920 -10.369 1.00 0.00 H new ATOM 144 N GLU A 11 7.924 17.490 -8.826 1.00 0.00 N ATOM 145 CA GLU A 11 7.187 18.735 -8.710 1.00 0.00 C ATOM 146 C GLU A 11 8.138 19.924 -8.844 1.00 0.00 C ATOM 147 O GLU A 11 9.326 19.801 -8.549 1.00 0.00 O ATOM 148 CB GLU A 11 6.464 18.754 -7.360 1.00 0.00 C ATOM 149 CG GLU A 11 5.649 20.027 -7.118 1.00 0.00 C ATOM 150 CD GLU A 11 4.547 20.255 -8.151 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.936 21.346 -8.090 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.316 19.360 -8.989 1.00 0.00 O ATOM 0 H GLU A 11 8.090 17.029 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 11 6.450 18.811 -9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.800 17.891 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.199 18.646 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.200 19.978 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.322 20.885 -7.122 1.00 0.00 H new ATOM 159 N LYS A 12 7.622 21.076 -9.284 1.00 0.00 N ATOM 160 CA LYS A 12 8.405 22.301 -9.383 1.00 0.00 C ATOM 161 C LYS A 12 7.603 23.540 -9.014 1.00 0.00 C ATOM 162 O LYS A 12 6.407 23.625 -9.294 1.00 0.00 O ATOM 163 CB LYS A 12 9.013 22.455 -10.781 1.00 0.00 C ATOM 164 CG LYS A 12 10.383 21.778 -10.851 1.00 0.00 C ATOM 165 CD LYS A 12 11.059 22.078 -12.190 1.00 0.00 C ATOM 166 CE LYS A 12 12.505 21.577 -12.181 1.00 0.00 C ATOM 167 NZ LYS A 12 12.572 20.109 -12.011 1.00 0.00 N ATOM 0 H LYS A 12 6.651 21.180 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 12 9.212 22.211 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.346 22.016 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.111 23.513 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.011 22.129 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.270 20.701 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.507 21.600 -12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.040 23.151 -12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.994 21.858 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.054 22.063 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.558 19.793 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.220 19.852 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.985 19.648 -12.736 1.00 0.00 H new ATOM 181 N ILE A 13 8.286 24.496 -8.384 1.00 0.00 N ATOM 182 CA ILE A 13 7.741 25.791 -8.001 1.00 0.00 C ATOM 183 C ILE A 13 8.849 26.832 -8.161 1.00 0.00 C ATOM 184 O ILE A 13 10.024 26.508 -7.994 1.00 0.00 O ATOM 185 CB ILE A 13 7.219 25.754 -6.552 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.987 24.844 -6.449 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.888 27.166 -6.053 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.379 24.860 -5.046 1.00 0.00 C ATOM 0 H ILE A 13 9.265 24.383 -8.119 1.00 0.00 H new ATOM 0 HA ILE A 13 6.895 26.049 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 13 8.006 25.347 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.238 25.165 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.267 23.824 -6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.522 27.113 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.786 27.783 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.121 27.607 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.510 24.203 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.119 24.513 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.074 25.875 -4.793 1.00 0.00 H new ATOM 200 N LYS A 14 8.481 28.075 -8.476 1.00 0.00 N ATOM 201 CA LYS A 14 9.424 29.175 -8.592 1.00 0.00 C ATOM 202 C LYS A 14 8.764 30.462 -8.118 1.00 0.00 C ATOM 203 O LYS A 14 7.598 30.713 -8.425 1.00 0.00 O ATOM 204 CB LYS A 14 9.905 29.292 -10.043 1.00 0.00 C ATOM 205 CG LYS A 14 10.916 30.431 -10.196 1.00 0.00 C ATOM 206 CD LYS A 14 11.375 30.525 -11.655 1.00 0.00 C ATOM 207 CE LYS A 14 12.457 31.596 -11.781 1.00 0.00 C ATOM 208 NZ LYS A 14 12.935 31.705 -13.172 1.00 0.00 N ATOM 0 H LYS A 14 7.514 28.342 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 14 10.295 28.988 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.360 28.352 -10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.053 29.467 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.465 31.374 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.774 30.258 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.761 29.562 -11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.530 30.770 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.062 32.557 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.292 31.353 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.669 32.439 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.333 30.793 -13.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.141 31.960 -13.793 1.00 0.00 H new ATOM 222 N GLN A 15 9.508 31.278 -7.367 1.00 0.00 N ATOM 223 CA GLN A 15 9.010 32.539 -6.844 1.00 0.00 C ATOM 224 C GLN A 15 10.170 33.480 -6.521 1.00 0.00 C ATOM 225 O GLN A 15 11.294 33.034 -6.302 1.00 0.00 O ATOM 226 CB GLN A 15 8.136 32.258 -5.614 1.00 0.00 C ATOM 227 CG GLN A 15 7.641 33.539 -4.938 1.00 0.00 C ATOM 228 CD GLN A 15 6.892 34.449 -5.903 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.140 33.988 -6.758 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.091 35.758 -5.774 1.00 0.00 N ATOM 0 H GLN A 15 10.474 31.076 -7.108 1.00 0.00 H new ATOM 0 HA GLN A 15 8.398 33.039 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.279 31.655 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.706 31.669 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.987 33.279 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.491 34.078 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.722 36.109 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.613 36.410 -6.395 1.00 0.00 H new ATOM 239 N TRP A 16 9.894 34.783 -6.499 1.00 0.00 N ATOM 240 CA TRP A 16 10.875 35.815 -6.207 1.00 0.00 C ATOM 241 C TRP A 16 10.778 36.270 -4.752 1.00 0.00 C ATOM 242 O TRP A 16 9.686 36.291 -4.179 1.00 0.00 O ATOM 243 CB TRP A 16 10.620 36.991 -7.154 1.00 0.00 C ATOM 244 CG TRP A 16 10.673 36.647 -8.611 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.684 36.044 -9.307 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.775 36.815 -9.554 1.00 0.00 C ATOM 247 NE1 TRP A 16 10.095 35.823 -10.603 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.376 36.290 -10.817 1.00 0.00 C ATOM 249 CE3 TRP A 16 13.064 37.372 -9.472 1.00 0.00 C ATOM 250 CZ2 TRP A 16 12.218 36.310 -11.936 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.912 37.405 -10.592 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.493 36.873 -11.819 1.00 0.00 C ATOM 0 H TRP A 16 8.963 35.153 -6.688 1.00 0.00 H new ATOM 0 HA TRP A 16 11.880 35.420 -6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.641 37.414 -6.930 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.357 37.769 -6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.717 35.776 -8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.523 35.370 -11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.407 37.781 -8.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.887 35.896 -12.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.895 37.844 -10.507 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.154 36.898 -12.673 1.00 0.00 H new ATOM 263 N ILE A 17 11.920 36.632 -4.161 1.00 0.00 N ATOM 264 CA ILE A 17 11.990 37.229 -2.833 1.00 0.00 C ATOM 265 C ILE A 17 12.906 38.448 -2.943 1.00 0.00 C ATOM 266 O ILE A 17 13.839 38.444 -3.745 1.00 0.00 O ATOM 267 CB ILE A 17 12.519 36.218 -1.798 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.049 36.094 -1.851 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.841 34.855 -1.942 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.569 35.122 -0.794 1.00 0.00 C ATOM 0 H ILE A 17 12.833 36.515 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 17 11.000 37.526 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 17 12.261 36.607 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.353 35.754 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.500 37.075 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.241 34.169 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.767 34.966 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.032 34.457 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.655 35.059 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.286 35.477 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.137 34.136 -0.963 1.00 0.00 H new ATOM 282 N PRO A 18 12.661 39.499 -2.151 1.00 0.00 N ATOM 283 CA PRO A 18 13.454 40.715 -2.208 1.00 0.00 C ATOM 284 C PRO A 18 14.897 40.411 -1.820 1.00 0.00 C ATOM 285 O PRO A 18 15.149 39.615 -0.915 1.00 0.00 O ATOM 286 CB PRO A 18 12.784 41.686 -1.233 1.00 0.00 C ATOM 287 CG PRO A 18 12.062 40.758 -0.256 1.00 0.00 C ATOM 288 CD PRO A 18 11.625 39.598 -1.144 1.00 0.00 C ATOM 0 HA PRO A 18 13.494 41.147 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.515 42.315 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.089 42.353 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.720 40.426 0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.210 41.250 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.537 38.673 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.651 39.789 -1.595 1.00 0.00 H new ATOM 296 N THR A 19 15.850 41.045 -2.503 1.00 0.00 N ATOM 297 CA THR A 19 17.267 40.816 -2.253 1.00 0.00 C ATOM 298 C THR A 19 17.739 41.145 -0.840 1.00 0.00 C ATOM 299 O THR A 19 18.814 40.723 -0.422 1.00 0.00 O ATOM 300 CB THR A 19 18.153 41.424 -3.345 1.00 0.00 C ATOM 301 OG1 THR A 19 17.459 41.446 -4.576 1.00 0.00 O ATOM 302 CG2 THR A 19 19.448 40.632 -3.511 1.00 0.00 C ATOM 0 H THR A 19 15.661 41.726 -3.239 1.00 0.00 H new ATOM 0 HA THR A 19 17.386 39.734 -2.312 1.00 0.00 H new ATOM 0 HB THR A 19 18.403 42.441 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.032 41.838 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.056 41.088 -4.293 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.001 40.638 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.213 39.604 -3.787 1.00 0.00 H new ATOM 310 N THR A 20 16.926 41.902 -0.101 1.00 0.00 N ATOM 311 CA THR A 20 17.191 42.232 1.292 1.00 0.00 C ATOM 312 C THR A 20 16.882 41.109 2.274 1.00 0.00 C ATOM 313 O THR A 20 17.243 41.192 3.447 1.00 0.00 O ATOM 314 CB THR A 20 16.536 43.559 1.691 1.00 0.00 C ATOM 315 OG1 THR A 20 15.221 43.318 2.145 1.00 0.00 O ATOM 316 CG2 THR A 20 16.475 44.551 0.531 1.00 0.00 C ATOM 0 H THR A 20 16.060 42.304 -0.459 1.00 0.00 H new ATOM 0 HA THR A 20 18.271 42.362 1.361 1.00 0.00 H new ATOM 0 HB THR A 20 17.150 43.996 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.803 44.166 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.002 45.474 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.485 44.766 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.894 44.121 -0.285 1.00 0.00 H new ATOM 324 N GLU A 21 16.210 40.057 1.802 1.00 0.00 N ATOM 325 CA GLU A 21 15.857 38.910 2.628 1.00 0.00 C ATOM 326 C GLU A 21 16.566 37.637 2.162 1.00 0.00 C ATOM 327 O GLU A 21 16.415 36.589 2.787 1.00 0.00 O ATOM 328 CB GLU A 21 14.341 38.701 2.630 1.00 0.00 C ATOM 329 CG GLU A 21 13.550 39.925 3.098 1.00 0.00 C ATOM 330 CD GLU A 21 13.868 40.349 4.536 1.00 0.00 C ATOM 331 OE1 GLU A 21 14.601 39.609 5.229 1.00 0.00 O ATOM 332 OE2 GLU A 21 13.369 41.426 4.934 1.00 0.00 O ATOM 0 H GLU A 21 15.897 39.980 0.834 1.00 0.00 H new ATOM 0 HA GLU A 21 16.190 39.122 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.019 38.435 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.101 37.856 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.758 40.759 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.484 39.710 3.019 1.00 0.00 H new ATOM 339 N VAL A 22 17.342 37.708 1.075 1.00 0.00 N ATOM 340 CA VAL A 22 18.100 36.548 0.613 1.00 0.00 C ATOM 341 C VAL A 22 19.131 36.171 1.676 1.00 0.00 C ATOM 342 O VAL A 22 19.575 35.025 1.733 1.00 0.00 O ATOM 343 CB VAL A 22 18.782 36.889 -0.717 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.720 35.777 -1.176 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.727 37.093 -1.802 1.00 0.00 C ATOM 0 H VAL A 22 17.459 38.547 0.507 1.00 0.00 H new ATOM 0 HA VAL A 22 17.437 35.698 0.454 1.00 0.00 H new ATOM 0 HB VAL A 22 19.361 37.798 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.183 36.059 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.495 35.621 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.154 34.855 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.217 37.335 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.145 36.179 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.065 37.911 -1.517 1.00 0.00 H new ATOM 355 N GLY A 23 19.513 37.127 2.530 1.00 0.00 N ATOM 356 CA GLY A 23 20.449 36.882 3.613 1.00 0.00 C ATOM 357 C GLY A 23 19.822 36.032 4.719 1.00 0.00 C ATOM 358 O GLY A 23 20.541 35.512 5.572 1.00 0.00 O ATOM 0 H GLY A 23 19.178 38.089 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.333 36.378 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.782 37.833 4.029 1.00 0.00 H new ATOM 362 N LYS A 24 18.493 35.876 4.726 1.00 0.00 N ATOM 363 CA LYS A 24 17.824 35.017 5.699 1.00 0.00 C ATOM 364 C LYS A 24 17.898 33.556 5.266 1.00 0.00 C ATOM 365 O LYS A 24 17.668 32.662 6.079 1.00 0.00 O ATOM 366 CB LYS A 24 16.356 35.429 5.850 1.00 0.00 C ATOM 367 CG LYS A 24 16.172 36.901 6.225 1.00 0.00 C ATOM 368 CD LYS A 24 16.923 37.250 7.511 1.00 0.00 C ATOM 369 CE LYS A 24 16.500 38.623 8.034 1.00 0.00 C ATOM 370 NZ LYS A 24 16.701 39.680 7.026 1.00 0.00 N ATOM 0 H LYS A 24 17.863 36.335 4.068 1.00 0.00 H new ATOM 0 HA LYS A 24 18.332 35.130 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.833 35.232 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.889 34.806 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.529 37.532 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.111 37.115 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.727 36.491 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.997 37.243 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.450 38.593 8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.072 38.862 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.886 40.585 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.512 39.435 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.847 39.767 6.439 1.00 0.00 H new ATOM 384 N ILE A 25 18.219 33.307 3.992 1.00 0.00 N ATOM 385 CA ILE A 25 18.269 31.959 3.438 1.00 0.00 C ATOM 386 C ILE A 25 19.710 31.505 3.201 1.00 0.00 C ATOM 387 O ILE A 25 20.010 30.325 3.363 1.00 0.00 O ATOM 388 CB ILE A 25 17.474 31.926 2.125 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.055 32.484 2.318 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.423 30.487 1.604 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.235 32.378 1.031 1.00 0.00 C ATOM 0 H ILE A 25 18.451 34.038 3.319 1.00 0.00 H new ATOM 0 HA ILE A 25 17.825 31.269 4.156 1.00 0.00 H new ATOM 0 HB ILE A 25 17.975 32.560 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.553 31.938 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.112 33.527 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.859 30.457 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.437 30.128 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.936 29.850 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.237 32.781 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.725 32.945 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.158 31.332 0.734 1.00 0.00 H new ATOM 403 N LEU A 26 20.593 32.430 2.818 1.00 0.00 N ATOM 404 CA LEU A 26 21.963 32.113 2.422 1.00 0.00 C ATOM 405 C LEU A 26 23.015 32.785 3.311 1.00 0.00 C ATOM 406 O LEU A 26 24.210 32.657 3.050 1.00 0.00 O ATOM 407 CB LEU A 26 22.174 32.533 0.963 1.00 0.00 C ATOM 408 CG LEU A 26 21.094 32.016 0.008 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.408 32.529 -1.396 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.073 30.489 -0.026 1.00 0.00 C ATOM 0 H LEU A 26 20.374 33.425 2.774 1.00 0.00 H new ATOM 0 HA LEU A 26 22.095 31.037 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.203 33.621 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.146 32.171 0.628 1.00 0.00 H new ATOM 0 HG LEU A 26 20.122 32.369 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.649 32.171 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.412 33.619 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.387 32.163 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.297 30.151 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.041 30.119 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.866 30.106 0.973 1.00 0.00 H new ATOM 422 N GLY A 27 22.589 33.498 4.356 1.00 0.00 N ATOM 423 CA GLY A 27 23.481 34.295 5.194 1.00 0.00 C ATOM 424 C GLY A 27 24.357 33.462 6.127 1.00 0.00 C ATOM 425 O GLY A 27 25.153 34.028 6.878 1.00 0.00 O ATOM 0 H GLY A 27 21.611 33.537 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.122 34.900 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.884 34.985 5.791 1.00 0.00 H new ATOM 429 N ASN A 28 24.225 32.134 6.096 1.00 0.00 N ATOM 430 CA ASN A 28 24.973 31.238 6.967 1.00 0.00 C ATOM 431 C ASN A 28 25.275 29.909 6.276 1.00 0.00 C ATOM 432 O ASN A 28 24.871 28.848 6.753 1.00 0.00 O ATOM 433 CB ASN A 28 24.226 31.048 8.292 1.00 0.00 C ATOM 434 CG ASN A 28 22.746 30.725 8.110 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.316 30.244 7.065 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.953 30.992 9.142 1.00 0.00 N ATOM 0 H ASN A 28 23.590 31.651 5.460 1.00 0.00 H new ATOM 0 HA ASN A 28 25.938 31.693 7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.699 30.244 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.322 31.955 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.954 30.797 9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.344 31.392 9.995 1.00 0.00 H new ATOM 443 N ARG A 29 25.987 29.968 5.145 1.00 0.00 N ATOM 444 CA ARG A 29 26.322 28.795 4.341 1.00 0.00 C ATOM 445 C ARG A 29 25.066 28.033 3.927 1.00 0.00 C ATOM 446 O ARG A 29 25.094 26.813 3.768 1.00 0.00 O ATOM 447 CB ARG A 29 27.350 27.912 5.061 1.00 0.00 C ATOM 448 CG ARG A 29 28.625 28.697 5.365 1.00 0.00 C ATOM 449 CD ARG A 29 29.641 27.788 6.058 1.00 0.00 C ATOM 450 NE ARG A 29 30.881 28.510 6.364 1.00 0.00 N ATOM 451 CZ ARG A 29 31.152 29.094 7.536 1.00 0.00 C ATOM 452 NH1 ARG A 29 30.271 29.068 8.536 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.316 29.713 7.713 1.00 0.00 N ATOM 0 H ARG A 29 26.349 30.841 4.761 1.00 0.00 H new ATOM 0 HA ARG A 29 26.794 29.130 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.922 27.532 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.589 27.047 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.048 29.093 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.394 29.551 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.211 27.394 6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.863 26.934 5.419 1.00 0.00 H new ATOM 0 HE ARG A 29 31.587 28.571 5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.374 28.598 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 29 30.494 29.518 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.999 29.741 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.526 30.159 8.606 1.00 0.00 H new ATOM 467 N ALA A 30 23.964 28.767 3.753 1.00 0.00 N ATOM 468 CA ALA A 30 22.668 28.231 3.379 1.00 0.00 C ATOM 469 C ALA A 30 22.176 27.145 4.338 1.00 0.00 C ATOM 470 O ALA A 30 21.391 26.283 3.946 1.00 0.00 O ATOM 471 CB ALA A 30 22.681 27.783 1.915 1.00 0.00 C ATOM 0 H ALA A 30 23.957 29.780 3.874 1.00 0.00 H new ATOM 0 HA ALA A 30 21.934 29.032 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.703 27.383 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.911 28.635 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.438 27.011 1.777 1.00 0.00 H new ATOM 477 N ALA A 31 22.627 27.172 5.597 1.00 0.00 N ATOM 478 CA ALA A 31 22.220 26.184 6.587 1.00 0.00 C ATOM 479 C ALA A 31 20.718 26.266 6.866 1.00 0.00 C ATOM 480 O ALA A 31 20.114 25.281 7.286 1.00 0.00 O ATOM 481 CB ALA A 31 23.015 26.416 7.870 1.00 0.00 C ATOM 0 H ALA A 31 23.277 27.874 5.950 1.00 0.00 H new ATOM 0 HA ALA A 31 22.425 25.186 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.719 25.682 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.080 26.313 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.814 27.419 8.246 1.00 0.00 H new ATOM 487 N VAL A 32 20.104 27.433 6.632 1.00 0.00 N ATOM 488 CA VAL A 32 18.670 27.596 6.822 1.00 0.00 C ATOM 489 C VAL A 32 17.928 26.934 5.666 1.00 0.00 C ATOM 490 O VAL A 32 16.875 26.336 5.872 1.00 0.00 O ATOM 491 CB VAL A 32 18.339 29.090 6.875 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.829 29.320 6.861 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.919 29.698 8.153 1.00 0.00 C ATOM 0 H VAL A 32 20.584 28.274 6.311 1.00 0.00 H new ATOM 0 HA VAL A 32 18.361 27.126 7.756 1.00 0.00 H new ATOM 0 HB VAL A 32 18.775 29.565 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.624 30.390 6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.406 28.902 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.379 28.833 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.683 30.761 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.487 29.200 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.001 29.566 8.160 1.00 0.00 H new ATOM 503 N LYS A 33 18.471 27.033 4.447 1.00 0.00 N ATOM 504 CA LYS A 33 17.834 26.449 3.275 1.00 0.00 C ATOM 505 C LYS A 33 17.874 24.928 3.367 1.00 0.00 C ATOM 506 O LYS A 33 16.890 24.263 3.066 1.00 0.00 O ATOM 507 CB LYS A 33 18.564 26.928 2.020 1.00 0.00 C ATOM 508 CG LYS A 33 17.844 26.456 0.756 1.00 0.00 C ATOM 509 CD LYS A 33 18.603 26.902 -0.498 1.00 0.00 C ATOM 510 CE LYS A 33 19.928 26.151 -0.656 1.00 0.00 C ATOM 511 NZ LYS A 33 19.709 24.710 -0.899 1.00 0.00 N ATOM 0 H LYS A 33 19.350 27.513 4.253 1.00 0.00 H new ATOM 0 HA LYS A 33 16.791 26.763 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.626 28.016 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.587 26.551 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.755 25.370 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.831 26.858 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.982 26.734 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.796 27.973 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.493 26.579 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.531 26.282 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.597 24.273 -1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.394 24.253 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.981 24.588 -1.632 1.00 0.00 H new ATOM 525 N LYS A 34 19.023 24.387 3.784 1.00 0.00 N ATOM 526 CA LYS A 34 19.224 22.947 3.888 1.00 0.00 C ATOM 527 C LYS A 34 18.422 22.333 5.032 1.00 0.00 C ATOM 528 O LYS A 34 18.244 21.115 5.059 1.00 0.00 O ATOM 529 CB LYS A 34 20.720 22.660 4.039 1.00 0.00 C ATOM 530 CG LYS A 34 21.457 23.060 2.758 1.00 0.00 C ATOM 531 CD LYS A 34 22.966 22.831 2.883 1.00 0.00 C ATOM 532 CE LYS A 34 23.563 23.758 3.940 1.00 0.00 C ATOM 533 NZ LYS A 34 25.030 23.627 4.005 1.00 0.00 N ATOM 0 H LYS A 34 19.836 24.938 4.058 1.00 0.00 H new ATOM 0 HA LYS A 34 18.855 22.479 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.122 23.213 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.878 21.601 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.069 22.483 1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.264 24.110 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.161 21.792 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.447 23.009 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.298 24.790 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.132 23.526 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.299 23.177 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.362 23.042 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.466 24.569 3.946 1.00 0.00 H new ATOM 547 N HIS A 35 17.934 23.147 5.972 1.00 0.00 N ATOM 548 CA HIS A 35 17.109 22.637 7.060 1.00 0.00 C ATOM 549 C HIS A 35 15.692 22.355 6.566 1.00 0.00 C ATOM 550 O HIS A 35 15.046 21.420 7.033 1.00 0.00 O ATOM 551 CB HIS A 35 17.075 23.653 8.202 1.00 0.00 C ATOM 552 CG HIS A 35 16.370 23.117 9.418 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.851 22.134 10.266 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.151 23.519 9.893 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.937 21.944 11.235 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.894 22.775 11.029 1.00 0.00 N ATOM 0 H HIS A 35 18.097 24.154 5.998 1.00 0.00 H new ATOM 0 HA HIS A 35 17.541 21.704 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.094 23.932 8.469 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.574 24.560 7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.511 24.275 9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.024 21.239 12.048 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.059 22.842 11.612 1.00 0.00 H new ATOM 565 N ILE A 36 15.204 23.161 5.619 1.00 0.00 N ATOM 566 CA ILE A 36 13.869 22.982 5.063 1.00 0.00 C ATOM 567 C ILE A 36 13.838 21.742 4.175 1.00 0.00 C ATOM 568 O ILE A 36 12.808 21.080 4.058 1.00 0.00 O ATOM 569 CB ILE A 36 13.456 24.244 4.288 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.453 25.453 5.227 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.072 24.051 3.656 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.198 26.760 4.474 1.00 0.00 C ATOM 0 H ILE A 36 15.720 23.946 5.223 1.00 0.00 H new ATOM 0 HA ILE A 36 13.151 22.832 5.869 1.00 0.00 H new ATOM 0 HB ILE A 36 14.176 24.422 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.686 25.318 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.410 25.513 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.792 24.952 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.100 23.205 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.338 23.858 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.204 27.592 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.979 26.909 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.229 26.711 3.978 1.00 0.00 H new ATOM 584 N GLU A 37 14.970 21.415 3.546 1.00 0.00 N ATOM 585 CA GLU A 37 15.081 20.242 2.691 1.00 0.00 C ATOM 586 C GLU A 37 14.959 18.956 3.509 1.00 0.00 C ATOM 587 O GLU A 37 14.552 17.923 2.980 1.00 0.00 O ATOM 588 CB GLU A 37 16.423 20.275 1.957 1.00 0.00 C ATOM 589 CG GLU A 37 16.492 21.496 1.038 1.00 0.00 C ATOM 590 CD GLU A 37 17.824 21.593 0.297 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.717 20.758 0.563 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.938 22.516 -0.537 1.00 0.00 O ATOM 0 H GLU A 37 15.831 21.958 3.618 1.00 0.00 H new ATOM 0 HA GLU A 37 14.267 20.258 1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.240 20.307 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.549 19.363 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.679 21.448 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.341 22.400 1.628 1.00 0.00 H new ATOM 599 N ARG A 38 15.306 19.014 4.798 1.00 0.00 N ATOM 600 CA ARG A 38 15.178 17.881 5.708 1.00 0.00 C ATOM 601 C ARG A 38 13.834 17.912 6.432 1.00 0.00 C ATOM 602 O ARG A 38 13.414 16.905 7.003 1.00 0.00 O ATOM 603 CB ARG A 38 16.333 17.895 6.708 1.00 0.00 C ATOM 604 CG ARG A 38 17.670 17.753 5.982 1.00 0.00 C ATOM 605 CD ARG A 38 18.833 17.816 6.973 1.00 0.00 C ATOM 606 NE ARG A 38 18.779 16.712 7.941 1.00 0.00 N ATOM 607 CZ ARG A 38 19.335 15.511 7.753 1.00 0.00 C ATOM 608 NH1 ARG A 38 19.982 15.222 6.626 1.00 0.00 N ATOM 609 NH2 ARG A 38 19.241 14.584 8.702 1.00 0.00 N ATOM 0 H ARG A 38 15.685 19.853 5.238 1.00 0.00 H new ATOM 0 HA ARG A 38 15.220 16.958 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.318 18.825 7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.213 17.081 7.423 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.697 16.807 5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.773 18.546 5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.777 17.778 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.808 18.768 7.504 1.00 0.00 H new ATOM 0 HE ARG A 38 18.283 16.873 8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.060 15.922 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.400 14.300 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.746 14.791 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.664 13.666 8.562 1.00 0.00 H new ATOM 623 N GLN A 39 13.157 19.065 6.410 1.00 0.00 N ATOM 624 CA GLN A 39 11.863 19.249 7.049 1.00 0.00 C ATOM 625 C GLN A 39 10.734 18.706 6.174 1.00 0.00 C ATOM 626 O GLN A 39 9.703 18.274 6.689 1.00 0.00 O ATOM 627 CB GLN A 39 11.681 20.749 7.298 1.00 0.00 C ATOM 628 CG GLN A 39 10.303 21.083 7.869 1.00 0.00 C ATOM 629 CD GLN A 39 10.158 22.576 8.147 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.144 23.295 8.273 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.922 23.055 8.244 1.00 0.00 N ATOM 0 H GLN A 39 13.502 19.902 5.941 1.00 0.00 H new ATOM 0 HA GLN A 39 11.828 18.698 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.451 21.096 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.824 21.290 6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.531 20.766 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.145 20.523 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.123 22.431 8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.772 24.047 8.428 1.00 0.00 H new ATOM 640 N PHE A 40 10.931 18.726 4.851 1.00 0.00 N ATOM 641 CA PHE A 40 9.929 18.276 3.899 1.00 0.00 C ATOM 642 C PHE A 40 10.423 17.269 2.856 1.00 0.00 C ATOM 643 O PHE A 40 9.695 16.930 1.924 1.00 0.00 O ATOM 644 CB PHE A 40 9.212 19.470 3.265 1.00 0.00 C ATOM 645 CG PHE A 40 8.329 20.242 4.216 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.591 21.597 4.461 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.251 19.612 4.853 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.770 22.326 5.331 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.440 20.336 5.737 1.00 0.00 C ATOM 650 CZ PHE A 40 6.699 21.693 5.977 1.00 0.00 C ATOM 0 H PHE A 40 11.793 19.056 4.417 1.00 0.00 H new ATOM 0 HA PHE A 40 9.209 17.703 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.958 20.148 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.605 19.114 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.428 22.080 3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.046 18.569 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.962 23.375 5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.614 19.848 6.234 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.074 22.250 6.659 1.00 0.00 H new ATOM 660 N ASN A 41 11.665 16.798 3.017 1.00 0.00 N ATOM 661 CA ASN A 41 12.328 15.913 2.068 1.00 0.00 C ATOM 662 C ASN A 41 12.393 16.516 0.662 1.00 0.00 C ATOM 663 O ASN A 41 12.624 15.803 -0.318 1.00 0.00 O ATOM 664 CB ASN A 41 11.689 14.519 2.093 1.00 0.00 C ATOM 665 CG ASN A 41 11.799 13.858 3.462 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.608 14.256 4.295 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.983 12.838 3.705 1.00 0.00 N ATOM 0 H ASN A 41 12.242 17.028 3.826 1.00 0.00 H new ATOM 0 HA ASN A 41 13.366 15.798 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.638 14.598 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.171 13.887 1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.017 12.361 4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.322 12.532 2.991 1.00 0.00 H new ATOM 674 N CYS A 42 12.193 17.834 0.558 1.00 0.00 N ATOM 675 CA CYS A 42 12.233 18.572 -0.693 1.00 0.00 C ATOM 676 C CYS A 42 13.653 19.062 -0.969 1.00 0.00 C ATOM 677 O CYS A 42 14.583 18.763 -0.221 1.00 0.00 O ATOM 678 CB CYS A 42 11.265 19.753 -0.580 1.00 0.00 C ATOM 679 SG CYS A 42 11.840 20.886 0.714 1.00 0.00 S ATOM 0 H CYS A 42 11.995 18.425 1.366 1.00 0.00 H new ATOM 0 HA CYS A 42 11.936 17.930 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.201 20.276 -1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.263 19.394 -0.345 1.00 0.00 H new ATOM 0 HG CYS A 42 11.865 22.100 0.249 1.00 0.00 H new ATOM 685 N VAL A 43 13.811 19.820 -2.056 1.00 0.00 N ATOM 686 CA VAL A 43 15.071 20.457 -2.424 1.00 0.00 C ATOM 687 C VAL A 43 14.765 21.900 -2.802 1.00 0.00 C ATOM 688 O VAL A 43 13.708 22.178 -3.366 1.00 0.00 O ATOM 689 CB VAL A 43 15.736 19.693 -3.575 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.006 20.403 -4.047 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.089 18.271 -3.140 1.00 0.00 C ATOM 0 H VAL A 43 13.054 20.010 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 43 15.774 20.443 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 43 15.024 19.657 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.456 19.839 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.755 21.405 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.713 20.472 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.560 17.743 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.778 18.309 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.181 17.745 -2.844 1.00 0.00 H new ATOM 701 N ILE A 44 15.684 22.819 -2.494 1.00 0.00 N ATOM 702 CA ILE A 44 15.492 24.235 -2.769 1.00 0.00 C ATOM 703 C ILE A 44 16.747 24.810 -3.421 1.00 0.00 C ATOM 704 O ILE A 44 17.868 24.456 -3.057 1.00 0.00 O ATOM 705 CB ILE A 44 15.134 24.985 -1.475 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.839 24.415 -0.877 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.977 26.486 -1.755 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.459 25.099 0.433 1.00 0.00 C ATOM 0 H ILE A 44 16.575 22.599 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 44 14.662 24.360 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 44 15.942 24.850 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.027 24.532 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.960 23.346 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.724 27.004 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.913 26.883 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.183 26.639 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.537 24.662 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.258 24.960 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.310 26.164 0.257 1.00 0.00 H new ATOM 720 N THR A 45 16.551 25.709 -4.392 1.00 0.00 N ATOM 721 CA THR A 45 17.638 26.336 -5.127 1.00 0.00 C ATOM 722 C THR A 45 17.455 27.824 -5.387 1.00 0.00 C ATOM 723 O THR A 45 16.701 28.212 -6.278 1.00 0.00 O ATOM 724 CB THR A 45 17.954 25.575 -6.421 1.00 0.00 C ATOM 725 OG1 THR A 45 17.810 24.181 -6.236 1.00 0.00 O ATOM 726 CG2 THR A 45 19.363 25.893 -6.899 1.00 0.00 C ATOM 0 H THR A 45 15.625 26.019 -4.686 1.00 0.00 H new ATOM 0 HA THR A 45 18.500 26.270 -4.464 1.00 0.00 H new ATOM 0 HB THR A 45 17.243 25.898 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.015 23.717 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.568 25.344 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.450 26.963 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.082 25.601 -6.133 1.00 0.00 H new ATOM 734 N VAL A 46 18.143 28.661 -4.611 1.00 0.00 N ATOM 735 CA VAL A 46 18.153 30.101 -4.845 1.00 0.00 C ATOM 736 C VAL A 46 19.061 30.417 -6.028 1.00 0.00 C ATOM 737 O VAL A 46 20.093 29.769 -6.204 1.00 0.00 O ATOM 738 CB VAL A 46 18.567 30.865 -3.580 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.399 32.371 -3.783 1.00 0.00 C ATOM 740 CG2 VAL A 46 17.724 30.425 -2.383 1.00 0.00 C ATOM 0 H VAL A 46 18.702 28.363 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 46 17.144 30.432 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 46 19.615 30.640 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.697 32.896 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.024 32.698 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.355 32.594 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.034 30.979 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.672 30.624 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.865 29.358 -2.212 1.00 0.00 H new ATOM 750 N HIS A 47 18.689 31.407 -6.842 1.00 0.00 N ATOM 751 CA HIS A 47 19.429 31.750 -8.045 1.00 0.00 C ATOM 752 C HIS A 47 19.865 33.211 -8.032 1.00 0.00 C ATOM 753 O HIS A 47 19.322 34.037 -8.765 1.00 0.00 O ATOM 754 CB HIS A 47 18.585 31.390 -9.268 1.00 0.00 C ATOM 755 CG HIS A 47 18.518 29.902 -9.505 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.569 29.094 -9.893 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.401 29.120 -9.398 1.00 0.00 C ATOM 758 CE1 HIS A 47 19.095 27.842 -10.030 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.779 27.836 -9.743 1.00 0.00 N ATOM 0 H HIS A 47 17.867 31.989 -6.681 1.00 0.00 H new ATOM 0 HA HIS A 47 20.351 31.171 -8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.576 31.780 -9.136 1.00 0.00 H new ATOM 0 HB3 HIS A 47 19.002 31.877 -10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.414 29.443 -9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.676 26.980 -10.323 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.165 27.022 -9.775 1.00 0.00 H new ATOM 768 N THR A 48 20.850 33.527 -7.186 1.00 0.00 N ATOM 769 CA THR A 48 21.427 34.861 -7.100 1.00 0.00 C ATOM 770 C THR A 48 22.168 35.319 -8.351 1.00 0.00 C ATOM 771 O THR A 48 22.616 36.463 -8.431 1.00 0.00 O ATOM 772 CB THR A 48 22.237 35.066 -5.817 1.00 0.00 C ATOM 773 OG1 THR A 48 23.574 34.672 -6.033 1.00 0.00 O ATOM 774 CG2 THR A 48 21.665 34.275 -4.641 1.00 0.00 C ATOM 0 H THR A 48 21.268 32.857 -6.540 1.00 0.00 H new ATOM 0 HA THR A 48 20.568 35.530 -7.042 1.00 0.00 H new ATOM 0 HB THR A 48 22.186 36.125 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.091 34.806 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.273 34.452 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.641 34.597 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.673 33.211 -4.880 1.00 0.00 H new ATOM 782 N GLU A 49 22.297 34.429 -9.341 1.00 0.00 N ATOM 783 CA GLU A 49 22.831 34.767 -10.651 1.00 0.00 C ATOM 784 C GLU A 49 21.809 35.598 -11.424 1.00 0.00 C ATOM 785 O GLU A 49 22.088 36.059 -12.532 1.00 0.00 O ATOM 786 CB GLU A 49 23.156 33.494 -11.439 1.00 0.00 C ATOM 787 CG GLU A 49 24.132 32.579 -10.695 1.00 0.00 C ATOM 788 CD GLU A 49 23.459 31.657 -9.673 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.211 31.684 -9.574 1.00 0.00 O ATOM 790 OE2 GLU A 49 24.211 30.925 -8.992 1.00 0.00 O ATOM 0 H GLU A 49 22.030 33.449 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 49 23.746 35.344 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.234 32.949 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.582 33.767 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.670 31.970 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 49 24.873 33.193 -10.184 1.00 0.00 H new ATOM 797 N VAL A 50 20.624 35.785 -10.832 1.00 0.00 N ATOM 798 CA VAL A 50 19.512 36.499 -11.430 1.00 0.00 C ATOM 799 C VAL A 50 18.994 37.604 -10.518 1.00 0.00 C ATOM 800 O VAL A 50 19.021 37.468 -9.295 1.00 0.00 O ATOM 801 CB VAL A 50 18.392 35.520 -11.796 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.372 36.183 -12.729 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.951 34.256 -12.450 1.00 0.00 C ATOM 0 H VAL A 50 20.416 35.431 -9.898 1.00 0.00 H new ATOM 0 HA VAL A 50 19.871 36.978 -12.341 1.00 0.00 H new ATOM 0 HB VAL A 50 17.891 35.236 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.586 35.469 -12.975 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.933 37.048 -12.232 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.870 36.504 -13.644 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.131 33.582 -12.698 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.488 34.524 -13.360 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.633 33.760 -11.759 1.00 0.00 H new ATOM 813 N GLN A 51 18.522 38.700 -11.120 1.00 0.00 N ATOM 814 CA GLN A 51 17.943 39.807 -10.378 1.00 0.00 C ATOM 815 C GLN A 51 16.938 40.548 -11.255 1.00 0.00 C ATOM 816 O GLN A 51 17.292 41.059 -12.316 1.00 0.00 O ATOM 817 CB GLN A 51 19.058 40.736 -9.893 1.00 0.00 C ATOM 818 CG GLN A 51 18.479 41.956 -9.172 1.00 0.00 C ATOM 819 CD GLN A 51 19.566 42.810 -8.524 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.749 42.482 -8.571 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.172 43.921 -7.908 1.00 0.00 N ATOM 0 H GLN A 51 18.534 38.838 -12.131 1.00 0.00 H new ATOM 0 HA GLN A 51 17.410 39.431 -9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.722 40.193 -9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.660 41.062 -10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.917 42.563 -9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 51 17.775 41.625 -8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.183 44.168 -7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.859 44.526 -7.459 1.00 0.00 H new ATOM 830 N SER A 52 15.684 40.597 -10.805 1.00 0.00 N ATOM 831 CA SER A 52 14.628 41.308 -11.516 1.00 0.00 C ATOM 832 C SER A 52 14.718 42.812 -11.265 1.00 0.00 C ATOM 833 O SER A 52 15.381 43.253 -10.325 1.00 0.00 O ATOM 834 CB SER A 52 13.267 40.755 -11.096 1.00 0.00 C ATOM 835 OG SER A 52 12.239 41.478 -11.737 1.00 0.00 O ATOM 0 H SER A 52 15.376 40.147 -9.943 1.00 0.00 H new ATOM 0 HA SER A 52 14.752 41.152 -12.588 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.198 39.699 -11.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.154 40.825 -10.014 1.00 0.00 H new ATOM 0 HG SER A 52 11.437 41.475 -11.174 1.00 0.00 H new ATOM 841 N SER A 53 14.047 43.603 -12.105 1.00 0.00 N ATOM 842 CA SER A 53 14.056 45.055 -12.003 1.00 0.00 C ATOM 843 C SER A 53 13.366 45.521 -10.722 1.00 0.00 C ATOM 844 O SER A 53 13.545 46.667 -10.313 1.00 0.00 O ATOM 845 CB SER A 53 13.346 45.646 -13.223 1.00 0.00 C ATOM 846 OG SER A 53 14.026 45.268 -14.403 1.00 0.00 O ATOM 0 H SER A 53 13.482 43.248 -12.876 1.00 0.00 H new ATOM 0 HA SER A 53 15.090 45.399 -11.971 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.314 45.297 -13.259 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.312 46.733 -13.144 1.00 0.00 H new ATOM 0 HG SER A 53 13.567 45.647 -15.181 1.00 0.00 H new ATOM 852 N PHE A 54 12.579 44.646 -10.086 1.00 0.00 N ATOM 853 CA PHE A 54 11.929 44.942 -8.820 1.00 0.00 C ATOM 854 C PHE A 54 12.758 44.727 -7.551 1.00 0.00 C ATOM 855 O PHE A 54 12.231 44.819 -6.445 1.00 0.00 O ATOM 856 CB PHE A 54 10.480 44.450 -8.751 1.00 0.00 C ATOM 857 CG PHE A 54 10.220 43.077 -9.333 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.752 41.940 -8.709 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.435 42.935 -10.486 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.487 40.663 -9.226 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.167 41.660 -11.004 1.00 0.00 C ATOM 862 CZ PHE A 54 9.692 40.523 -10.372 1.00 0.00 C ATOM 0 H PHE A 54 12.379 43.711 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 54 11.859 46.030 -8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.167 44.446 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.847 45.169 -9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.367 42.047 -7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.036 43.810 -10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.895 39.788 -8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.557 41.553 -11.889 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.484 39.540 -10.768 1.00 0.00 H new ATOM 872 N GLY A 55 14.056 44.441 -7.707 1.00 0.00 N ATOM 873 CA GLY A 55 14.957 44.279 -6.575 1.00 0.00 C ATOM 874 C GLY A 55 14.764 42.941 -5.873 1.00 0.00 C ATOM 875 O GLY A 55 14.778 42.885 -4.644 1.00 0.00 O ATOM 0 H GLY A 55 14.502 44.318 -8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.988 44.362 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.793 45.088 -5.863 1.00 0.00 H new ATOM 879 N ALA A 56 14.580 41.863 -6.645 1.00 0.00 N ATOM 880 CA ALA A 56 14.344 40.541 -6.085 1.00 0.00 C ATOM 881 C ALA A 56 15.177 39.466 -6.778 1.00 0.00 C ATOM 882 O ALA A 56 15.635 39.643 -7.907 1.00 0.00 O ATOM 883 CB ALA A 56 12.853 40.225 -6.183 1.00 0.00 C ATOM 0 H ALA A 56 14.592 41.889 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 56 14.654 40.544 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.663 39.236 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.286 40.970 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.545 40.244 -7.228 1.00 0.00 H new ATOM 889 N THR A 57 15.363 38.342 -6.075 1.00 0.00 N ATOM 890 CA THR A 57 16.135 37.195 -6.539 1.00 0.00 C ATOM 891 C THR A 57 15.161 36.013 -6.521 1.00 0.00 C ATOM 892 O THR A 57 14.427 35.839 -5.546 1.00 0.00 O ATOM 893 CB THR A 57 17.282 36.963 -5.552 1.00 0.00 C ATOM 894 OG1 THR A 57 18.310 37.893 -5.804 1.00 0.00 O ATOM 895 CG2 THR A 57 17.864 35.556 -5.683 1.00 0.00 C ATOM 0 H THR A 57 14.968 38.207 -5.144 1.00 0.00 H new ATOM 0 HA THR A 57 16.559 37.335 -7.533 1.00 0.00 H new ATOM 0 HB THR A 57 16.882 37.084 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.045 37.748 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.675 35.430 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.085 34.820 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.247 35.413 -6.693 1.00 0.00 H new ATOM 903 N PRO A 58 15.145 35.197 -7.585 1.00 0.00 N ATOM 904 CA PRO A 58 14.277 34.043 -7.695 1.00 0.00 C ATOM 905 C PRO A 58 14.835 32.838 -6.933 1.00 0.00 C ATOM 906 O PRO A 58 16.024 32.766 -6.636 1.00 0.00 O ATOM 907 CB PRO A 58 14.202 33.761 -9.194 1.00 0.00 C ATOM 908 CG PRO A 58 15.587 34.177 -9.687 1.00 0.00 C ATOM 909 CD PRO A 58 15.956 35.347 -8.777 1.00 0.00 C ATOM 0 HA PRO A 58 13.296 34.230 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.999 32.710 -9.398 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.412 34.337 -9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.305 33.361 -9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.567 34.475 -10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.018 35.330 -8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.757 36.300 -9.267 1.00 0.00 H new ATOM 917 N VAL A 59 13.954 31.885 -6.621 1.00 0.00 N ATOM 918 CA VAL A 59 14.306 30.632 -5.971 1.00 0.00 C ATOM 919 C VAL A 59 13.367 29.557 -6.514 1.00 0.00 C ATOM 920 O VAL A 59 12.222 29.838 -6.870 1.00 0.00 O ATOM 921 CB VAL A 59 14.190 30.771 -4.443 1.00 0.00 C ATOM 922 CG1 VAL A 59 12.856 31.376 -4.018 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.337 29.418 -3.744 1.00 0.00 C ATOM 0 H VAL A 59 12.957 31.970 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 59 15.339 30.357 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 59 15.000 31.437 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.822 31.454 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.750 32.368 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.041 30.739 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.250 29.554 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.554 28.743 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.312 28.992 -3.978 1.00 0.00 H new ATOM 933 N GLU A 60 13.863 28.322 -6.578 1.00 0.00 N ATOM 934 CA GLU A 60 13.131 27.173 -7.092 1.00 0.00 C ATOM 935 C GLU A 60 13.012 26.094 -6.020 1.00 0.00 C ATOM 936 O GLU A 60 13.821 26.041 -5.097 1.00 0.00 O ATOM 937 CB GLU A 60 13.828 26.637 -8.346 1.00 0.00 C ATOM 938 CG GLU A 60 13.710 27.635 -9.497 1.00 0.00 C ATOM 939 CD GLU A 60 14.592 27.261 -10.687 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.449 26.363 -10.525 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.403 27.885 -11.757 1.00 0.00 O ATOM 0 H GLU A 60 14.806 28.091 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 60 12.121 27.481 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.879 26.446 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.384 25.685 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.671 27.689 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.985 28.628 -9.142 1.00 0.00 H new ATOM 948 N ILE A 61 12.000 25.231 -6.149 1.00 0.00 N ATOM 949 CA ILE A 61 11.749 24.150 -5.207 1.00 0.00 C ATOM 950 C ILE A 61 11.377 22.885 -5.979 1.00 0.00 C ATOM 951 O ILE A 61 10.769 22.970 -7.044 1.00 0.00 O ATOM 952 CB ILE A 61 10.635 24.542 -4.221 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.924 25.913 -3.596 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.455 23.461 -3.147 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.803 26.350 -2.653 1.00 0.00 C ATOM 0 H ILE A 61 11.330 25.268 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 61 12.651 23.958 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 61 9.697 24.619 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.866 25.872 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.046 26.655 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.662 23.759 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.188 22.517 -3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.387 23.338 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.043 27.325 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.866 26.416 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.699 25.621 -1.849 1.00 0.00 H new ATOM 967 N VAL A 62 11.741 21.722 -5.433 1.00 0.00 N ATOM 968 CA VAL A 62 11.431 20.424 -6.017 1.00 0.00 C ATOM 969 C VAL A 62 11.076 19.437 -4.910 1.00 0.00 C ATOM 970 O VAL A 62 11.666 19.470 -3.832 1.00 0.00 O ATOM 971 CB VAL A 62 12.621 19.905 -6.833 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.321 18.508 -7.379 1.00 0.00 C ATOM 973 CG2 VAL A 62 12.931 20.833 -8.009 1.00 0.00 C ATOM 0 H VAL A 62 12.266 21.660 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 62 10.578 20.531 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 62 13.484 19.869 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.174 18.152 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.134 17.826 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.441 18.549 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.779 20.440 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.061 20.895 -8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.174 21.827 -7.634 1.00 0.00 H new ATOM 983 N ALA A 63 10.113 18.552 -5.182 1.00 0.00 N ATOM 984 CA ALA A 63 9.711 17.509 -4.253 1.00 0.00 C ATOM 985 C ALA A 63 8.983 16.399 -5.013 1.00 0.00 C ATOM 986 O ALA A 63 8.655 16.558 -6.188 1.00 0.00 O ATOM 987 CB ALA A 63 8.804 18.101 -3.176 1.00 0.00 C ATOM 0 H ALA A 63 9.592 18.545 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 63 10.594 17.087 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.504 17.316 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.342 18.879 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.917 18.530 -3.643 1.00 0.00 H new ATOM 993 N GLN A 64 8.730 15.274 -4.345 1.00 0.00 N ATOM 994 CA GLN A 64 8.036 14.157 -4.960 1.00 0.00 C ATOM 995 C GLN A 64 6.538 14.435 -5.114 1.00 0.00 C ATOM 996 O GLN A 64 5.881 13.813 -5.950 1.00 0.00 O ATOM 997 CB GLN A 64 8.295 12.910 -4.106 1.00 0.00 C ATOM 998 CG GLN A 64 7.630 11.652 -4.670 1.00 0.00 C ATOM 999 CD GLN A 64 8.147 11.274 -6.053 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.209 11.724 -6.483 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.396 10.443 -6.770 1.00 0.00 N ATOM 0 H GLN A 64 8.999 15.118 -3.374 1.00 0.00 H new ATOM 0 HA GLN A 64 8.416 13.999 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.370 12.744 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.928 13.086 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.799 10.821 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.553 11.809 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.521 10.087 -6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.695 10.162 -7.704 1.00 0.00 H new ATOM 1010 N ASN A 65 5.989 15.358 -4.318 1.00 0.00 N ATOM 1011 CA ASN A 65 4.562 15.660 -4.315 1.00 0.00 C ATOM 1012 C ASN A 65 4.319 17.131 -3.985 1.00 0.00 C ATOM 1013 O ASN A 65 5.174 17.794 -3.394 1.00 0.00 O ATOM 1014 CB ASN A 65 3.858 14.793 -3.263 1.00 0.00 C ATOM 1015 CG ASN A 65 4.120 13.304 -3.439 1.00 0.00 C ATOM 1016 OD1 ASN A 65 3.627 12.685 -4.379 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.899 12.722 -2.531 1.00 0.00 N ATOM 0 H ASN A 65 6.528 15.917 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 65 4.164 15.449 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.188 15.098 -2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.784 14.974 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.107 11.726 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.289 13.272 -1.766 1.00 0.00 H new ATOM 1024 N LYS A 66 3.143 17.647 -4.362 1.00 0.00 N ATOM 1025 CA LYS A 66 2.728 18.994 -3.993 1.00 0.00 C ATOM 1026 C LYS A 66 2.520 19.094 -2.485 1.00 0.00 C ATOM 1027 O LYS A 66 2.605 20.180 -1.916 1.00 0.00 O ATOM 1028 CB LYS A 66 1.428 19.355 -4.714 1.00 0.00 C ATOM 1029 CG LYS A 66 1.642 19.514 -6.217 1.00 0.00 C ATOM 1030 CD LYS A 66 0.304 19.855 -6.883 1.00 0.00 C ATOM 1031 CE LYS A 66 0.458 20.058 -8.389 1.00 0.00 C ATOM 1032 NZ LYS A 66 1.280 21.240 -8.706 1.00 0.00 N ATOM 0 H LYS A 66 2.461 17.142 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 66 3.512 19.691 -4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.684 18.580 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.029 20.282 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.370 20.302 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.048 18.594 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.411 19.054 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.106 20.760 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.913 19.171 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.527 20.169 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.234 21.431 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.919 22.064 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.267 21.060 -8.431 1.00 0.00 H new ATOM 1046 N GLU A 67 2.249 17.957 -1.839 1.00 0.00 N ATOM 1047 CA GLU A 67 2.034 17.885 -0.399 1.00 0.00 C ATOM 1048 C GLU A 67 3.325 18.171 0.371 1.00 0.00 C ATOM 1049 O GLU A 67 3.301 18.262 1.596 1.00 0.00 O ATOM 1050 CB GLU A 67 1.495 16.497 -0.037 1.00 0.00 C ATOM 1051 CG GLU A 67 0.194 16.162 -0.774 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.965 17.092 -0.409 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -0.834 17.844 0.582 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.984 17.039 -1.131 1.00 0.00 O ATOM 0 H GLU A 67 2.173 17.055 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 67 1.307 18.646 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.247 15.745 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.323 16.447 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.369 16.216 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.089 15.134 -0.548 1.00 0.00 H new ATOM 1061 N GLN A 68 4.449 18.310 -0.341 1.00 0.00 N ATOM 1062 CA GLN A 68 5.734 18.622 0.266 1.00 0.00 C ATOM 1063 C GLN A 68 6.364 19.858 -0.380 1.00 0.00 C ATOM 1064 O GLN A 68 7.158 20.545 0.264 1.00 0.00 O ATOM 1065 CB GLN A 68 6.669 17.421 0.102 1.00 0.00 C ATOM 1066 CG GLN A 68 6.089 16.142 0.712 1.00 0.00 C ATOM 1067 CD GLN A 68 6.869 14.917 0.248 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.288 13.961 -0.257 1.00 0.00 O ATOM 1069 NE2 GLN A 68 8.191 14.932 0.409 1.00 0.00 N ATOM 0 H GLN A 68 4.486 18.208 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 68 5.578 18.836 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.865 17.258 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.627 17.643 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.119 16.207 1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.042 16.041 0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.644 15.742 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.750 14.134 0.109 1.00 0.00 H new ATOM 1078 N CYS A 69 6.024 20.149 -1.637 1.00 0.00 N ATOM 1079 CA CYS A 69 6.612 21.276 -2.348 1.00 0.00 C ATOM 1080 C CYS A 69 5.917 22.571 -1.925 1.00 0.00 C ATOM 1081 O CYS A 69 6.565 23.610 -1.798 1.00 0.00 O ATOM 1082 CB CYS A 69 6.424 21.053 -3.849 1.00 0.00 C ATOM 1083 SG CYS A 69 7.576 22.115 -4.758 1.00 0.00 S ATOM 0 H CYS A 69 5.344 19.617 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 69 7.674 21.355 -2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.601 20.007 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.397 21.280 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 69 8.064 21.460 -5.769 1.00 0.00 H new ATOM 1089 N GLN A 70 4.598 22.519 -1.703 1.00 0.00 N ATOM 1090 CA GLN A 70 3.846 23.702 -1.304 1.00 0.00 C ATOM 1091 C GLN A 70 4.161 24.076 0.139 1.00 0.00 C ATOM 1092 O GLN A 70 4.115 25.250 0.499 1.00 0.00 O ATOM 1093 CB GLN A 70 2.341 23.438 -1.427 1.00 0.00 C ATOM 1094 CG GLN A 70 1.902 23.124 -2.863 1.00 0.00 C ATOM 1095 CD GLN A 70 2.020 24.317 -3.805 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.302 25.436 -3.388 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.799 24.079 -5.096 1.00 0.00 N ATOM 0 H GLN A 70 4.037 21.672 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 70 4.134 24.522 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.070 22.604 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.794 24.310 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.507 22.304 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.868 22.780 -2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.567 23.136 -5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.862 24.839 -5.773 1.00 0.00 H new ATOM 1106 N GLU A 71 4.486 23.085 0.970 1.00 0.00 N ATOM 1107 CA GLU A 71 4.807 23.339 2.361 1.00 0.00 C ATOM 1108 C GLU A 71 6.186 23.984 2.468 1.00 0.00 C ATOM 1109 O GLU A 71 6.426 24.787 3.366 1.00 0.00 O ATOM 1110 CB GLU A 71 4.756 22.027 3.146 1.00 0.00 C ATOM 1111 CG GLU A 71 3.400 21.325 3.018 1.00 0.00 C ATOM 1112 CD GLU A 71 2.242 22.146 3.593 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.508 23.148 4.291 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.082 21.754 3.326 1.00 0.00 O ATOM 0 H GLU A 71 4.532 22.103 0.698 1.00 0.00 H new ATOM 0 HA GLU A 71 4.075 24.027 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.542 21.362 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.961 22.227 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.203 21.117 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.445 20.364 3.530 1.00 0.00 H new ATOM 1121 N ALA A 72 7.095 23.633 1.552 1.00 0.00 N ATOM 1122 CA ALA A 72 8.422 24.225 1.504 1.00 0.00 C ATOM 1123 C ALA A 72 8.369 25.624 0.888 1.00 0.00 C ATOM 1124 O ALA A 72 9.237 26.450 1.159 1.00 0.00 O ATOM 1125 CB ALA A 72 9.331 23.311 0.690 1.00 0.00 C ATOM 0 H ALA A 72 6.926 22.933 0.829 1.00 0.00 H new ATOM 0 HA ALA A 72 8.815 24.328 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.332 23.741 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.379 22.330 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.933 23.208 -0.320 1.00 0.00 H new ATOM 1131 N ARG A 73 7.351 25.890 0.061 1.00 0.00 N ATOM 1132 CA ARG A 73 7.132 27.199 -0.541 1.00 0.00 C ATOM 1133 C ARG A 73 6.612 28.176 0.507 1.00 0.00 C ATOM 1134 O ARG A 73 7.152 29.267 0.668 1.00 0.00 O ATOM 1135 CB ARG A 73 6.144 27.041 -1.700 1.00 0.00 C ATOM 1136 CG ARG A 73 5.499 28.355 -2.147 1.00 0.00 C ATOM 1137 CD ARG A 73 6.535 29.366 -2.629 1.00 0.00 C ATOM 1138 NE ARG A 73 5.883 30.622 -3.030 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.191 30.782 -4.159 1.00 0.00 C ATOM 1140 NH1 ARG A 73 5.074 29.774 -5.015 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.613 31.946 -4.438 1.00 0.00 N ATOM 0 H ARG A 73 6.655 25.195 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 73 8.068 27.603 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.663 26.595 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.360 26.345 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.787 28.155 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.934 28.782 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.257 29.561 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.090 28.953 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 73 5.965 31.423 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.513 28.877 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.545 29.897 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.697 32.726 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.086 32.059 -5.304 1.00 0.00 H new ATOM 1155 N ASN A 74 5.557 27.778 1.218 1.00 0.00 N ATOM 1156 CA ASN A 74 4.944 28.609 2.240 1.00 0.00 C ATOM 1157 C ASN A 74 5.852 28.781 3.461 1.00 0.00 C ATOM 1158 O ASN A 74 5.621 29.668 4.280 1.00 0.00 O ATOM 1159 CB ASN A 74 3.585 28.008 2.605 1.00 0.00 C ATOM 1160 CG ASN A 74 2.551 28.301 1.526 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.062 29.419 1.416 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.205 27.299 0.723 1.00 0.00 N ATOM 0 H ASN A 74 5.108 26.870 1.098 1.00 0.00 H new ATOM 0 HA ASN A 74 4.794 29.615 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.683 26.930 2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.247 28.416 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.513 27.450 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.631 26.380 0.841 1.00 0.00 H new ATOM 1169 N ALA A 75 6.889 27.944 3.586 1.00 0.00 N ATOM 1170 CA ALA A 75 7.851 28.047 4.674 1.00 0.00 C ATOM 1171 C ALA A 75 8.932 29.093 4.386 1.00 0.00 C ATOM 1172 O ALA A 75 9.770 29.356 5.249 1.00 0.00 O ATOM 1173 CB ALA A 75 8.487 26.675 4.899 1.00 0.00 C ATOM 0 H ALA A 75 7.079 27.182 2.935 1.00 0.00 H new ATOM 0 HA ALA A 75 7.326 28.372 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.210 26.738 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.712 25.953 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.992 26.354 3.988 1.00 0.00 H new ATOM 1179 N VAL A 76 8.930 29.691 3.188 1.00 0.00 N ATOM 1180 CA VAL A 76 9.947 30.659 2.783 1.00 0.00 C ATOM 1181 C VAL A 76 9.327 32.013 2.437 1.00 0.00 C ATOM 1182 O VAL A 76 10.044 33.000 2.286 1.00 0.00 O ATOM 1183 CB VAL A 76 10.757 30.079 1.611 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.863 31.022 1.139 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.418 28.768 2.032 1.00 0.00 C ATOM 0 H VAL A 76 8.222 29.515 2.475 1.00 0.00 H new ATOM 0 HA VAL A 76 10.623 30.840 3.619 1.00 0.00 H new ATOM 0 HB VAL A 76 10.051 29.927 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.403 30.563 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.423 31.963 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.553 31.213 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.990 28.364 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.086 28.951 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.651 28.052 2.327 1.00 0.00 H new ATOM 1195 N MET A 77 7.997 32.079 2.309 1.00 0.00 N ATOM 1196 CA MET A 77 7.316 33.319 1.953 1.00 0.00 C ATOM 1197 C MET A 77 6.866 34.129 3.172 1.00 0.00 C ATOM 1198 O MET A 77 6.275 35.195 3.007 1.00 0.00 O ATOM 1199 CB MET A 77 6.141 33.010 1.024 1.00 0.00 C ATOM 1200 CG MET A 77 6.667 32.435 -0.292 1.00 0.00 C ATOM 1201 SD MET A 77 7.707 33.591 -1.224 1.00 0.00 S ATOM 1202 CE MET A 77 8.811 32.410 -2.044 1.00 0.00 C ATOM 0 H MET A 77 7.374 31.284 2.448 1.00 0.00 H new ATOM 0 HA MET A 77 8.035 33.950 1.431 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.465 32.299 1.499 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.567 33.917 0.833 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.240 31.532 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.822 32.138 -0.913 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.502 32.948 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.375 31.857 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.221 31.714 -2.640 1.00 0.00 H new ATOM 1212 N SER A 78 7.133 33.639 4.386 1.00 0.00 N ATOM 1213 CA SER A 78 6.774 34.367 5.596 1.00 0.00 C ATOM 1214 C SER A 78 7.608 33.935 6.798 1.00 0.00 C ATOM 1215 O SER A 78 8.015 34.777 7.599 1.00 0.00 O ATOM 1216 CB SER A 78 5.287 34.141 5.884 1.00 0.00 C ATOM 1217 OG SER A 78 4.927 34.789 7.086 1.00 0.00 O ATOM 0 H SER A 78 7.595 32.745 4.552 1.00 0.00 H new ATOM 0 HA SER A 78 6.976 35.425 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.686 34.524 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.080 33.073 5.960 1.00 0.00 H new ATOM 0 HG SER A 78 3.975 34.642 7.264 1.00 0.00 H new ATOM 1223 N LEU A 79 7.871 32.633 6.933 1.00 0.00 N ATOM 1224 CA LEU A 79 8.628 32.114 8.066 1.00 0.00 C ATOM 1225 C LEU A 79 10.131 32.168 7.804 1.00 0.00 C ATOM 1226 O LEU A 79 10.915 32.424 8.718 1.00 0.00 O ATOM 1227 CB LEU A 79 8.190 30.673 8.335 1.00 0.00 C ATOM 1228 CG LEU A 79 6.674 30.546 8.526 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.325 29.085 8.793 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.197 31.392 9.707 1.00 0.00 C ATOM 0 H LEU A 79 7.569 31.921 6.268 1.00 0.00 H new ATOM 0 HA LEU A 79 8.426 32.735 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.502 30.041 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.697 30.303 9.226 1.00 0.00 H new ATOM 0 HG LEU A 79 6.181 30.900 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.248 28.987 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.640 28.475 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.837 28.747 9.694 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.118 31.284 9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.693 31.057 10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.439 32.439 9.526 1.00 0.00 H new ATOM 1242 N MET A 80 10.524 31.921 6.552 1.00 0.00 N ATOM 1243 CA MET A 80 11.906 31.909 6.088 1.00 0.00 C ATOM 1244 C MET A 80 12.820 30.999 6.917 1.00 0.00 C ATOM 1245 O MET A 80 14.036 31.037 6.751 1.00 0.00 O ATOM 1246 CB MET A 80 12.451 33.334 5.988 1.00 0.00 C ATOM 1247 CG MET A 80 11.497 34.202 5.171 1.00 0.00 C ATOM 1248 SD MET A 80 12.213 35.756 4.579 1.00 0.00 S ATOM 1249 CE MET A 80 13.264 35.108 3.254 1.00 0.00 C ATOM 0 H MET A 80 9.858 31.716 5.807 1.00 0.00 H new ATOM 0 HA MET A 80 11.900 31.473 5.089 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.575 33.755 6.986 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.436 33.323 5.521 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.148 33.627 4.313 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.622 34.429 5.779 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.267 35.525 3.348 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.315 34.022 3.328 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.844 35.386 2.287 1.00 0.00 H new ATOM 1259 N GLN A 81 12.237 30.182 7.803 1.00 0.00 N ATOM 1260 CA GLN A 81 12.961 29.293 8.703 1.00 0.00 C ATOM 1261 C GLN A 81 14.050 30.045 9.478 1.00 0.00 C ATOM 1262 O GLN A 81 15.038 29.458 9.917 1.00 0.00 O ATOM 1263 CB GLN A 81 13.455 28.070 7.916 1.00 0.00 C ATOM 1264 CG GLN A 81 13.986 26.937 8.804 1.00 0.00 C ATOM 1265 CD GLN A 81 12.962 26.481 9.842 1.00 0.00 C ATOM 1266 OE1 GLN A 81 13.312 26.217 10.987 1.00 0.00 O ATOM 1267 NE2 GLN A 81 11.692 26.380 9.457 1.00 0.00 N ATOM 0 H GLN A 81 11.225 30.124 7.912 1.00 0.00 H new ATOM 0 HA GLN A 81 12.296 28.915 9.479 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.637 27.688 7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.244 28.384 7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.267 26.090 8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.890 27.271 9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.430 26.606 8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.980 26.076 10.121 1.00 0.00 H new ATOM 1276 N SER A 82 13.876 31.363 9.648 1.00 0.00 N ATOM 1277 CA SER A 82 14.870 32.213 10.297 1.00 0.00 C ATOM 1278 C SER A 82 14.206 33.360 11.061 1.00 0.00 C ATOM 1279 O SER A 82 14.849 34.350 11.402 1.00 0.00 O ATOM 1280 CB SER A 82 15.869 32.707 9.247 1.00 0.00 C ATOM 1281 OG SER A 82 16.938 33.399 9.851 1.00 0.00 O ATOM 0 H SER A 82 13.043 31.864 9.339 1.00 0.00 H new ATOM 0 HA SER A 82 15.416 31.634 11.042 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.254 31.860 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.362 33.361 8.538 1.00 0.00 H new ATOM 0 HG SER A 82 16.598 33.945 10.590 1.00 0.00 H new ATOM 1287 N HIS A 83 12.903 33.231 11.333 1.00 0.00 N ATOM 1288 CA HIS A 83 12.147 34.238 12.060 1.00 0.00 C ATOM 1289 C HIS A 83 12.701 34.436 13.469 1.00 0.00 C ATOM 1290 O HIS A 83 13.245 33.508 14.067 1.00 0.00 O ATOM 1291 CB HIS A 83 10.669 33.844 12.112 1.00 0.00 C ATOM 1292 CG HIS A 83 10.436 32.415 12.522 1.00 0.00 C ATOM 1293 ND1 HIS A 83 10.956 31.775 13.633 1.00 0.00 N ATOM 1294 CD2 HIS A 83 9.633 31.526 11.868 1.00 0.00 C ATOM 1295 CE1 HIS A 83 10.478 30.516 13.644 1.00 0.00 C ATOM 1296 NE2 HIS A 83 9.676 30.342 12.576 1.00 0.00 N ATOM 0 H HIS A 83 12.349 32.422 11.052 1.00 0.00 H new ATOM 0 HA HIS A 83 12.243 35.187 11.532 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.152 34.502 12.810 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.224 34.008 11.131 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.588 32.184 14.321 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.070 31.714 10.966 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.702 29.767 14.389 1.00 0.00 H new ATOM 1305 N GLN A 84 12.557 35.649 14.004 1.00 0.00 N ATOM 1306 CA GLN A 84 13.040 36.001 15.335 1.00 0.00 C ATOM 1307 C GLN A 84 12.177 35.383 16.436 1.00 0.00 C ATOM 1308 O GLN A 84 12.507 35.502 17.618 1.00 0.00 O ATOM 1309 CB GLN A 84 13.088 37.525 15.487 1.00 0.00 C ATOM 1310 CG GLN A 84 14.073 38.180 14.506 1.00 0.00 C ATOM 1311 CD GLN A 84 13.521 38.312 13.087 1.00 0.00 C ATOM 1312 OE1 GLN A 84 12.328 38.151 12.840 1.00 0.00 O ATOM 1313 NE2 GLN A 84 14.396 38.616 12.129 1.00 0.00 N ATOM 0 H GLN A 84 12.097 36.420 13.519 1.00 0.00 H new ATOM 0 HA GLN A 84 14.046 35.595 15.443 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.091 37.935 15.325 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.375 37.777 16.508 1.00 0.00 H new ATOM 0 HG2 GLN A 84 14.340 39.169 14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.990 37.592 14.478 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.381 38.745 12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.081 38.720 11.165 1.00 0.00 H new ATOM 1322 N ASP A 85 11.077 34.723 16.062 1.00 0.00 N ATOM 1323 CA ASP A 85 10.168 34.080 17.001 1.00 0.00 C ATOM 1324 C ASP A 85 10.709 32.828 17.695 1.00 0.00 C ATOM 1325 O ASP A 85 9.976 32.159 18.423 1.00 0.00 O ATOM 1326 CB ASP A 85 8.800 33.843 16.352 1.00 0.00 C ATOM 1327 CG ASP A 85 8.011 35.133 16.117 1.00 0.00 C ATOM 1328 OD1 ASP A 85 8.519 36.219 16.474 1.00 0.00 O ATOM 1329 OD2 ASP A 85 6.889 35.019 15.575 1.00 0.00 O ATOM 0 H ASP A 85 10.794 34.622 15.087 1.00 0.00 H new ATOM 0 HA ASP A 85 10.055 34.789 17.821 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.941 33.333 15.399 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.215 33.178 16.987 1.00 0.00 H new ATOM 1334 N LYS A 86 11.985 32.503 17.471 1.00 0.00 N ATOM 1335 CA LYS A 86 12.640 31.337 18.047 1.00 0.00 C ATOM 1336 C LYS A 86 14.138 31.585 18.189 1.00 0.00 C ATOM 1337 O LYS A 86 14.757 31.999 17.184 1.00 0.00 O ATOM 1338 CB LYS A 86 12.357 30.114 17.168 1.00 0.00 C ATOM 1339 CG LYS A 86 13.073 28.873 17.707 1.00 0.00 C ATOM 1340 CD LYS A 86 12.703 27.650 16.864 1.00 0.00 C ATOM 1341 CE LYS A 86 13.441 26.412 17.365 1.00 0.00 C ATOM 1342 NZ LYS A 86 13.078 26.090 18.760 1.00 0.00 N ATOM 0 H LYS A 86 12.599 33.056 16.873 1.00 0.00 H new ATOM 0 HA LYS A 86 12.244 31.149 19.045 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.283 29.930 17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.684 30.312 16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.152 29.027 17.686 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.795 28.706 18.748 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.627 27.482 16.909 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.954 27.832 15.819 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.207 25.563 16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.516 26.576 17.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.418 25.136 18.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.516 26.782 19.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.044 26.126 18.867 1.00 0.00 H new TER 1356 LYS A 86