USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 478 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 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 46 HIS : no HE2:sc= -3.72! C(o=-3.7!,f=-4.5!) 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 8 SER OG : rot 35:sc= 0.303 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -151:sc= -0.307 (180deg=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0307 (180deg=-0.267) USER MOD Single : A 20 THR OG1 : rot -65:sc= -0.0693 USER MOD Single : A 26 ASN : amide:sc= -0.723 K(o=-0.72,f=-3.9!) USER MOD Single : A 27 CYS SG : rot 120:sc= -0.688 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0531) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.335 USER MOD Single : A 34 CYS SG : rot -139:sc= 0.543 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.9!) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0386 (180deg=-0.326) USER MOD Single : A 55 SER OG : rot 32:sc= 0.705 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.386 -5.746 -10.443 1.00 0.00 N ATOM 2 CA GLY A 1 19.274 -4.781 -11.521 1.00 0.00 C ATOM 3 C GLY A 1 18.941 -3.389 -11.020 1.00 0.00 C ATOM 4 O GLY A 1 19.757 -2.750 -10.356 1.00 0.00 O ATOM 0 H1 GLY A 1 19.614 -6.681 -10.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.140 -5.451 -9.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.484 -5.798 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.212 -4.750 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.502 -5.107 -12.218 1.00 0.00 H new ATOM 8 N SER A 2 17.740 -2.918 -11.339 1.00 0.00 N ATOM 9 CA SER A 2 17.304 -1.591 -10.922 1.00 0.00 C ATOM 10 C SER A 2 17.818 -1.265 -9.523 1.00 0.00 C ATOM 11 O SER A 2 17.500 -1.956 -8.556 1.00 0.00 O ATOM 12 CB SER A 2 15.777 -1.500 -10.950 1.00 0.00 C ATOM 13 OG SER A 2 15.337 -0.199 -10.600 1.00 0.00 O ATOM 0 H SER A 2 17.051 -3.436 -11.885 1.00 0.00 H new ATOM 0 HA SER A 2 17.717 -0.864 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.413 -1.755 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.353 -2.229 -10.259 1.00 0.00 H new ATOM 0 HG SER A 2 14.358 -0.166 -10.627 1.00 0.00 H new ATOM 19 N SER A 3 18.617 -0.207 -9.424 1.00 0.00 N ATOM 20 CA SER A 3 19.179 0.210 -8.145 1.00 0.00 C ATOM 21 C SER A 3 18.731 1.624 -7.789 1.00 0.00 C ATOM 22 O SER A 3 18.640 2.495 -8.653 1.00 0.00 O ATOM 23 CB SER A 3 20.707 0.144 -8.190 1.00 0.00 C ATOM 24 OG SER A 3 21.216 0.852 -9.307 1.00 0.00 O ATOM 0 H SER A 3 18.890 0.377 -10.215 1.00 0.00 H new ATOM 0 HA SER A 3 18.815 -0.472 -7.377 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.119 0.562 -7.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.028 -0.897 -8.238 1.00 0.00 H new ATOM 0 HG SER A 3 22.194 0.796 -9.312 1.00 0.00 H new ATOM 30 N GLY A 4 18.451 1.845 -6.508 1.00 0.00 N ATOM 31 CA GLY A 4 18.015 3.154 -6.059 1.00 0.00 C ATOM 32 C GLY A 4 17.662 3.173 -4.584 1.00 0.00 C ATOM 33 O GLY A 4 16.556 2.793 -4.199 1.00 0.00 O ATOM 0 H GLY A 4 18.518 1.141 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.804 3.882 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.147 3.464 -6.641 1.00 0.00 H new ATOM 37 N SER A 5 18.604 3.615 -3.758 1.00 0.00 N ATOM 38 CA SER A 5 18.389 3.677 -2.317 1.00 0.00 C ATOM 39 C SER A 5 17.449 4.823 -1.957 1.00 0.00 C ATOM 40 O SER A 5 17.741 5.988 -2.224 1.00 0.00 O ATOM 41 CB SER A 5 19.723 3.849 -1.588 1.00 0.00 C ATOM 42 OG SER A 5 19.552 3.764 -0.184 1.00 0.00 O ATOM 0 H SER A 5 19.524 3.936 -4.062 1.00 0.00 H new ATOM 0 HA SER A 5 17.929 2.740 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.423 3.082 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.160 4.813 -1.846 1.00 0.00 H new ATOM 0 HG SER A 5 20.419 3.875 0.259 1.00 0.00 H new ATOM 48 N SER A 6 16.317 4.482 -1.348 1.00 0.00 N ATOM 49 CA SER A 6 15.330 5.481 -0.954 1.00 0.00 C ATOM 50 C SER A 6 15.784 6.229 0.296 1.00 0.00 C ATOM 51 O SER A 6 16.632 5.749 1.047 1.00 0.00 O ATOM 52 CB SER A 6 13.975 4.818 -0.702 1.00 0.00 C ATOM 53 OG SER A 6 13.499 4.170 -1.869 1.00 0.00 O ATOM 0 H SER A 6 16.061 3.522 -1.117 1.00 0.00 H new ATOM 0 HA SER A 6 15.229 6.198 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.066 4.094 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.254 5.569 -0.379 1.00 0.00 H new ATOM 0 HG SER A 6 12.632 3.753 -1.681 1.00 0.00 H new ATOM 59 N GLY A 7 15.211 7.409 0.512 1.00 0.00 N ATOM 60 CA GLY A 7 15.568 8.205 1.672 1.00 0.00 C ATOM 61 C GLY A 7 14.358 8.623 2.484 1.00 0.00 C ATOM 62 O GLY A 7 14.369 8.545 3.712 1.00 0.00 O ATOM 0 H GLY A 7 14.506 7.828 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.247 7.634 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.108 9.094 1.346 1.00 0.00 H new ATOM 66 N SER A 8 13.312 9.070 1.796 1.00 0.00 N ATOM 67 CA SER A 8 12.090 9.507 2.461 1.00 0.00 C ATOM 68 C SER A 8 10.866 9.205 1.602 1.00 0.00 C ATOM 69 O SER A 8 10.719 9.738 0.502 1.00 0.00 O ATOM 70 CB SER A 8 12.158 11.005 2.765 1.00 0.00 C ATOM 71 OG SER A 8 12.473 11.748 1.600 1.00 0.00 O ATOM 0 H SER A 8 13.286 9.139 0.779 1.00 0.00 H new ATOM 0 HA SER A 8 11.999 8.957 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.202 11.341 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.910 11.190 3.532 1.00 0.00 H new ATOM 0 HG SER A 8 12.053 11.328 0.821 1.00 0.00 H new ATOM 77 N SER A 9 9.989 8.347 2.113 1.00 0.00 N ATOM 78 CA SER A 9 8.779 7.970 1.392 1.00 0.00 C ATOM 79 C SER A 9 7.570 8.733 1.925 1.00 0.00 C ATOM 80 O SER A 9 6.477 8.180 2.047 1.00 0.00 O ATOM 81 CB SER A 9 8.538 6.464 1.509 1.00 0.00 C ATOM 82 OG SER A 9 9.622 5.730 0.966 1.00 0.00 O ATOM 0 H SER A 9 10.094 7.900 3.024 1.00 0.00 H new ATOM 0 HA SER A 9 8.916 8.228 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.401 6.195 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.618 6.198 0.989 1.00 0.00 H new ATOM 0 HG SER A 9 9.444 4.770 1.055 1.00 0.00 H new ATOM 88 N LYS A 10 7.774 10.007 2.241 1.00 0.00 N ATOM 89 CA LYS A 10 6.703 10.849 2.760 1.00 0.00 C ATOM 90 C LYS A 10 5.741 11.253 1.647 1.00 0.00 C ATOM 91 O LYS A 10 4.593 10.811 1.616 1.00 0.00 O ATOM 92 CB LYS A 10 7.284 12.098 3.425 1.00 0.00 C ATOM 93 CG LYS A 10 6.230 13.027 4.001 1.00 0.00 C ATOM 94 CD LYS A 10 5.543 12.411 5.207 1.00 0.00 C ATOM 95 CE LYS A 10 4.145 12.978 5.403 1.00 0.00 C ATOM 96 NZ LYS A 10 4.180 14.395 5.858 1.00 0.00 N ATOM 0 H LYS A 10 8.673 10.480 2.147 1.00 0.00 H new ATOM 0 HA LYS A 10 6.151 10.274 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.962 11.793 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.878 12.646 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.693 13.971 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.488 13.256 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.484 11.330 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.140 12.595 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.591 12.911 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.608 12.375 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.208 14.745 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.686 14.456 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.670 14.976 5.148 1.00 0.00 H new ATOM 110 N GLU A 11 6.219 12.093 0.735 1.00 0.00 N ATOM 111 CA GLU A 11 5.400 12.556 -0.380 1.00 0.00 C ATOM 112 C GLU A 11 4.634 11.396 -1.010 1.00 0.00 C ATOM 113 O GLU A 11 3.428 11.488 -1.245 1.00 0.00 O ATOM 114 CB GLU A 11 6.274 13.237 -1.435 1.00 0.00 C ATOM 115 CG GLU A 11 5.479 13.978 -2.497 1.00 0.00 C ATOM 116 CD GLU A 11 6.334 14.938 -3.302 1.00 0.00 C ATOM 117 OE1 GLU A 11 6.687 16.010 -2.767 1.00 0.00 O ATOM 118 OE2 GLU A 11 6.649 14.617 -4.467 1.00 0.00 O ATOM 0 H GLU A 11 7.168 12.467 0.746 1.00 0.00 H new ATOM 0 HA GLU A 11 4.680 13.278 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.946 13.939 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.898 12.485 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.018 13.256 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.670 14.531 -2.020 1.00 0.00 H new ATOM 125 N LEU A 12 5.342 10.305 -1.282 1.00 0.00 N ATOM 126 CA LEU A 12 4.731 9.126 -1.885 1.00 0.00 C ATOM 127 C LEU A 12 3.683 8.521 -0.957 1.00 0.00 C ATOM 128 O LEU A 12 2.641 8.042 -1.407 1.00 0.00 O ATOM 129 CB LEU A 12 5.801 8.084 -2.213 1.00 0.00 C ATOM 130 CG LEU A 12 7.031 8.598 -2.961 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.044 7.480 -3.154 1.00 0.00 C ATOM 132 CD2 LEU A 12 6.630 9.193 -4.303 1.00 0.00 C ATOM 0 H LEU A 12 6.340 10.213 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 12 4.238 9.434 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.132 7.627 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.341 7.296 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 12 7.495 9.382 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.913 7.864 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.355 7.099 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.591 6.674 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.519 9.554 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.142 8.429 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.942 10.023 -4.142 1.00 0.00 H new ATOM 144 N LEU A 13 3.964 8.548 0.341 1.00 0.00 N ATOM 145 CA LEU A 13 3.044 8.004 1.334 1.00 0.00 C ATOM 146 C LEU A 13 1.770 8.839 1.412 1.00 0.00 C ATOM 147 O LEU A 13 0.672 8.302 1.555 1.00 0.00 O ATOM 148 CB LEU A 13 3.718 7.951 2.707 1.00 0.00 C ATOM 149 CG LEU A 13 2.800 7.654 3.894 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.707 6.155 4.134 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.297 8.367 5.143 1.00 0.00 C ATOM 0 H LEU A 13 4.821 8.941 0.730 1.00 0.00 H new ATOM 0 HA LEU A 13 2.775 6.993 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.498 7.190 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.211 8.907 2.885 1.00 0.00 H new ATOM 0 HG LEU A 13 1.802 8.026 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.050 5.962 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.305 5.669 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.700 5.758 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.632 8.145 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.304 8.025 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.311 9.443 4.967 1.00 0.00 H new ATOM 163 N MET A 14 1.925 10.156 1.316 1.00 0.00 N ATOM 164 CA MET A 14 0.787 11.065 1.372 1.00 0.00 C ATOM 165 C MET A 14 -0.109 10.891 0.150 1.00 0.00 C ATOM 166 O MET A 14 -1.333 10.975 0.247 1.00 0.00 O ATOM 167 CB MET A 14 1.268 12.514 1.465 1.00 0.00 C ATOM 168 CG MET A 14 1.870 12.870 2.815 1.00 0.00 C ATOM 169 SD MET A 14 0.643 13.496 3.979 1.00 0.00 S ATOM 170 CE MET A 14 0.138 15.006 3.159 1.00 0.00 C ATOM 0 H MET A 14 2.828 10.617 1.199 1.00 0.00 H new ATOM 0 HA MET A 14 0.206 10.825 2.263 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.010 12.692 0.687 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.429 13.180 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.350 11.988 3.238 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.648 13.620 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.182 15.735 3.904 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.977 15.410 2.592 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.689 14.793 2.481 1.00 0.00 H new ATOM 180 N LYS A 15 0.510 10.650 -1.001 1.00 0.00 N ATOM 181 CA LYS A 15 -0.230 10.464 -2.244 1.00 0.00 C ATOM 182 C LYS A 15 -0.858 9.075 -2.300 1.00 0.00 C ATOM 183 O LYS A 15 -2.030 8.925 -2.651 1.00 0.00 O ATOM 184 CB LYS A 15 0.693 10.666 -3.447 1.00 0.00 C ATOM 185 CG LYS A 15 0.932 12.126 -3.791 1.00 0.00 C ATOM 186 CD LYS A 15 1.940 12.275 -4.919 1.00 0.00 C ATOM 187 CE LYS A 15 1.371 11.788 -6.243 1.00 0.00 C ATOM 188 NZ LYS A 15 2.043 12.431 -7.406 1.00 0.00 N ATOM 0 H LYS A 15 1.523 10.579 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.027 11.206 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.651 10.188 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.263 10.163 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.010 12.592 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.292 12.655 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.233 13.321 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.841 11.711 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.484 10.706 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.302 11.999 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.627 12.073 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.914 13.462 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.059 12.208 -7.387 1.00 0.00 H new ATOM 202 N LEU A 16 -0.074 8.061 -1.951 1.00 0.00 N ATOM 203 CA LEU A 16 -0.554 6.684 -1.960 1.00 0.00 C ATOM 204 C LEU A 16 -1.724 6.509 -0.997 1.00 0.00 C ATOM 205 O LEU A 16 -2.643 5.732 -1.257 1.00 0.00 O ATOM 206 CB LEU A 16 0.578 5.726 -1.583 1.00 0.00 C ATOM 207 CG LEU A 16 0.223 4.239 -1.572 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.054 3.745 -2.983 1.00 0.00 C ATOM 209 CD2 LEU A 16 1.340 3.428 -0.931 1.00 0.00 C ATOM 0 H LEU A 16 0.897 8.167 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.898 6.452 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.402 5.877 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.944 5.999 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.682 4.106 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.305 2.685 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.888 4.304 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.832 3.892 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.070 2.372 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.261 3.567 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.490 3.763 0.095 1.00 0.00 H new ATOM 221 N ARG A 17 -1.685 7.237 0.113 1.00 0.00 N ATOM 222 CA ARG A 17 -2.743 7.163 1.114 1.00 0.00 C ATOM 223 C ARG A 17 -4.088 7.559 0.513 1.00 0.00 C ATOM 224 O ARG A 17 -5.102 6.901 0.748 1.00 0.00 O ATOM 225 CB ARG A 17 -2.415 8.071 2.301 1.00 0.00 C ATOM 226 CG ARG A 17 -3.562 8.220 3.288 1.00 0.00 C ATOM 227 CD ARG A 17 -3.504 7.157 4.373 1.00 0.00 C ATOM 228 NE ARG A 17 -4.815 6.910 4.968 1.00 0.00 N ATOM 229 CZ ARG A 17 -5.447 7.785 5.742 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.891 8.958 6.014 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.638 7.488 6.246 1.00 0.00 N ATOM 0 H ARG A 17 -0.932 7.885 0.343 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.809 6.132 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.546 7.672 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.137 9.057 1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.525 9.209 3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.512 8.149 2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.117 6.229 3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.806 7.470 5.150 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.270 6.017 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.976 9.190 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.379 9.628 6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.069 6.587 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.122 8.161 6.840 1.00 0.00 H new ATOM 245 N ARG A 18 -4.089 8.639 -0.263 1.00 0.00 N ATOM 246 CA ARG A 18 -5.310 9.123 -0.896 1.00 0.00 C ATOM 247 C ARG A 18 -5.598 8.354 -2.182 1.00 0.00 C ATOM 248 O ARG A 18 -6.738 8.298 -2.643 1.00 0.00 O ATOM 249 CB ARG A 18 -5.194 10.618 -1.198 1.00 0.00 C ATOM 250 CG ARG A 18 -4.084 10.957 -2.179 1.00 0.00 C ATOM 251 CD ARG A 18 -4.401 12.219 -2.966 1.00 0.00 C ATOM 252 NE ARG A 18 -3.227 12.740 -3.661 1.00 0.00 N ATOM 253 CZ ARG A 18 -3.195 13.923 -4.265 1.00 0.00 C ATOM 254 NH1 ARG A 18 -4.267 14.703 -4.258 1.00 0.00 N ATOM 255 NH2 ARG A 18 -2.090 14.328 -4.877 1.00 0.00 N ATOM 0 H ARG A 18 -3.258 9.195 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.137 8.962 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.143 10.974 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.020 11.156 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.147 11.090 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.939 10.125 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.187 12.006 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.789 12.980 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.385 12.164 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.119 14.395 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.240 15.611 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.263 13.731 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.067 15.236 -5.340 1.00 0.00 H new ATOM 269 N LYS A 19 -4.556 7.762 -2.757 1.00 0.00 N ATOM 270 CA LYS A 19 -4.695 6.995 -3.989 1.00 0.00 C ATOM 271 C LYS A 19 -5.447 5.692 -3.737 1.00 0.00 C ATOM 272 O LYS A 19 -6.283 5.280 -4.541 1.00 0.00 O ATOM 273 CB LYS A 19 -3.318 6.695 -4.585 1.00 0.00 C ATOM 274 CG LYS A 19 -3.324 6.577 -6.100 1.00 0.00 C ATOM 275 CD LYS A 19 -3.072 7.920 -6.765 1.00 0.00 C ATOM 276 CE LYS A 19 -3.329 7.857 -8.262 1.00 0.00 C ATOM 277 NZ LYS A 19 -4.773 7.660 -8.570 1.00 0.00 N ATOM 0 H LYS A 19 -3.605 7.799 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.268 7.593 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.625 7.484 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.941 5.766 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.560 5.866 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.284 6.180 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.716 8.676 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.043 8.229 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.981 8.778 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.751 7.041 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.953 7.906 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.030 6.665 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.346 8.271 -7.953 1.00 0.00 H new ATOM 291 N THR A 20 -5.146 5.048 -2.614 1.00 0.00 N ATOM 292 CA THR A 20 -5.793 3.792 -2.256 1.00 0.00 C ATOM 293 C THR A 20 -6.808 3.997 -1.137 1.00 0.00 C ATOM 294 O THR A 20 -7.935 3.509 -1.211 1.00 0.00 O ATOM 295 CB THR A 20 -4.763 2.736 -1.813 1.00 0.00 C ATOM 296 OG1 THR A 20 -4.212 3.093 -0.540 1.00 0.00 O ATOM 297 CG2 THR A 20 -3.646 2.607 -2.837 1.00 0.00 C ATOM 0 H THR A 20 -4.458 5.376 -1.936 1.00 0.00 H new ATOM 0 HA THR A 20 -6.307 3.435 -3.148 1.00 0.00 H new ATOM 0 HB THR A 20 -5.272 1.776 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.701 3.925 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.931 1.856 -2.503 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.066 2.307 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.140 3.566 -2.946 1.00 0.00 H new ATOM 305 N GLY A 21 -6.401 4.721 -0.099 1.00 0.00 N ATOM 306 CA GLY A 21 -7.287 4.978 1.021 1.00 0.00 C ATOM 307 C GLY A 21 -6.828 4.293 2.293 1.00 0.00 C ATOM 308 O GLY A 21 -7.095 4.773 3.395 1.00 0.00 O ATOM 0 H GLY A 21 -5.472 5.134 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.348 6.053 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.292 4.637 0.771 1.00 0.00 H new ATOM 312 N TYR A 22 -6.136 3.170 2.141 1.00 0.00 N ATOM 313 CA TYR A 22 -5.641 2.416 3.287 1.00 0.00 C ATOM 314 C TYR A 22 -4.867 3.321 4.241 1.00 0.00 C ATOM 315 O TYR A 22 -4.270 4.314 3.826 1.00 0.00 O ATOM 316 CB TYR A 22 -4.749 1.265 2.821 1.00 0.00 C ATOM 317 CG TYR A 22 -5.508 0.143 2.150 1.00 0.00 C ATOM 318 CD1 TYR A 22 -6.053 -0.896 2.893 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.682 0.123 0.771 1.00 0.00 C ATOM 320 CE1 TYR A 22 -6.747 -1.923 2.284 1.00 0.00 C ATOM 321 CE2 TYR A 22 -6.376 -0.899 0.153 1.00 0.00 C ATOM 322 CZ TYR A 22 -6.906 -1.920 0.914 1.00 0.00 C ATOM 323 OH TYR A 22 -7.598 -2.941 0.303 1.00 0.00 O ATOM 0 H TYR A 22 -5.905 2.761 1.236 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.500 2.007 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.003 1.653 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.209 0.865 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.932 -0.901 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.267 0.920 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.163 -2.724 2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.503 -0.899 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.828 -2.678 -0.613 1.00 0.00 H new ATOM 333 N SER A 23 -4.882 2.969 5.523 1.00 0.00 N ATOM 334 CA SER A 23 -4.184 3.749 6.538 1.00 0.00 C ATOM 335 C SER A 23 -2.716 3.935 6.166 1.00 0.00 C ATOM 336 O SER A 23 -2.095 3.049 5.580 1.00 0.00 O ATOM 337 CB SER A 23 -4.294 3.065 7.902 1.00 0.00 C ATOM 338 OG SER A 23 -5.585 3.240 8.458 1.00 0.00 O ATOM 0 H SER A 23 -5.370 2.149 5.883 1.00 0.00 H new ATOM 0 HA SER A 23 -4.654 4.731 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.081 2.001 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.545 3.475 8.579 1.00 0.00 H new ATOM 0 HG SER A 23 -5.630 2.792 9.329 1.00 0.00 H new ATOM 344 N PHE A 24 -2.168 5.095 6.512 1.00 0.00 N ATOM 345 CA PHE A 24 -0.773 5.400 6.215 1.00 0.00 C ATOM 346 C PHE A 24 0.122 4.201 6.514 1.00 0.00 C ATOM 347 O PHE A 24 0.948 3.807 5.690 1.00 0.00 O ATOM 348 CB PHE A 24 -0.309 6.612 7.026 1.00 0.00 C ATOM 349 CG PHE A 24 -0.916 7.908 6.569 1.00 0.00 C ATOM 350 CD1 PHE A 24 -0.661 8.397 5.298 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.741 8.637 7.410 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.218 9.588 4.873 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.302 9.829 6.991 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.038 10.306 5.721 1.00 0.00 C ATOM 0 H PHE A 24 -2.668 5.839 6.998 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.697 5.632 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.558 6.454 8.075 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.777 6.687 6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.019 7.840 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.948 8.270 8.404 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.012 9.957 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.946 10.387 7.655 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.472 11.239 5.392 1.00 0.00 H new ATOM 364 N VAL A 25 -0.048 3.625 7.700 1.00 0.00 N ATOM 365 CA VAL A 25 0.743 2.470 8.109 1.00 0.00 C ATOM 366 C VAL A 25 0.853 1.452 6.981 1.00 0.00 C ATOM 367 O VAL A 25 1.949 1.026 6.620 1.00 0.00 O ATOM 368 CB VAL A 25 0.135 1.784 9.347 1.00 0.00 C ATOM 369 CG1 VAL A 25 0.949 0.559 9.733 1.00 0.00 C ATOM 370 CG2 VAL A 25 0.048 2.763 10.509 1.00 0.00 C ATOM 0 H VAL A 25 -0.726 3.939 8.394 1.00 0.00 H new ATOM 0 HA VAL A 25 1.737 2.840 8.359 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.875 1.457 9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.504 0.088 10.609 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.956 -0.149 8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.972 0.859 9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.384 2.262 11.375 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.047 3.122 10.758 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.581 3.607 10.227 1.00 0.00 H new ATOM 380 N ASN A 26 -0.291 1.065 6.426 1.00 0.00 N ATOM 381 CA ASN A 26 -0.323 0.095 5.337 1.00 0.00 C ATOM 382 C ASN A 26 0.579 0.536 4.189 1.00 0.00 C ATOM 383 O ASN A 26 1.522 -0.167 3.822 1.00 0.00 O ATOM 384 CB ASN A 26 -1.756 -0.089 4.832 1.00 0.00 C ATOM 385 CG ASN A 26 -2.731 -0.388 5.955 1.00 0.00 C ATOM 386 OD1 ASN A 26 -3.665 0.375 6.200 1.00 0.00 O ATOM 387 ND2 ASN A 26 -2.516 -1.502 6.644 1.00 0.00 N ATOM 0 H ASN A 26 -1.208 1.408 6.712 1.00 0.00 H new ATOM 0 HA ASN A 26 0.045 -0.856 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.073 0.814 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.781 -0.902 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.138 -1.755 7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.729 -2.105 6.406 1.00 0.00 H new ATOM 394 N CYS A 27 0.285 1.704 3.628 1.00 0.00 N ATOM 395 CA CYS A 27 1.070 2.239 2.521 1.00 0.00 C ATOM 396 C CYS A 27 2.563 2.157 2.823 1.00 0.00 C ATOM 397 O CYS A 27 3.356 1.736 1.981 1.00 0.00 O ATOM 398 CB CYS A 27 0.673 3.689 2.241 1.00 0.00 C ATOM 399 SG CYS A 27 -1.047 3.897 1.724 1.00 0.00 S ATOM 0 H CYS A 27 -0.491 2.298 3.921 1.00 0.00 H new ATOM 0 HA CYS A 27 0.863 1.636 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.845 4.282 3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.325 4.090 1.465 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.665 4.666 2.571 1.00 0.00 H new ATOM 405 N LYS A 28 2.940 2.564 4.031 1.00 0.00 N ATOM 406 CA LYS A 28 4.337 2.537 4.446 1.00 0.00 C ATOM 407 C LYS A 28 4.954 1.165 4.193 1.00 0.00 C ATOM 408 O LYS A 28 6.139 1.054 3.879 1.00 0.00 O ATOM 409 CB LYS A 28 4.457 2.897 5.929 1.00 0.00 C ATOM 410 CG LYS A 28 5.774 3.561 6.289 1.00 0.00 C ATOM 411 CD LYS A 28 5.625 4.481 7.489 1.00 0.00 C ATOM 412 CE LYS A 28 6.967 5.047 7.928 1.00 0.00 C ATOM 413 NZ LYS A 28 7.815 4.015 8.588 1.00 0.00 N ATOM 0 H LYS A 28 2.297 2.917 4.740 1.00 0.00 H new ATOM 0 HA LYS A 28 4.880 3.274 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.638 3.563 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.342 1.991 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.520 2.797 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.140 4.131 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.948 5.298 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.172 3.933 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.492 5.449 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.804 5.877 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.668 4.464 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.279 3.565 9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.091 3.294 7.891 1.00 0.00 H new ATOM 427 N LYS A 29 4.142 0.122 4.331 1.00 0.00 N ATOM 428 CA LYS A 29 4.607 -1.243 4.115 1.00 0.00 C ATOM 429 C LYS A 29 4.734 -1.545 2.625 1.00 0.00 C ATOM 430 O LYS A 29 5.840 -1.652 2.096 1.00 0.00 O ATOM 431 CB LYS A 29 3.647 -2.239 4.768 1.00 0.00 C ATOM 432 CG LYS A 29 3.759 -3.648 4.210 1.00 0.00 C ATOM 433 CD LYS A 29 5.063 -4.309 4.623 1.00 0.00 C ATOM 434 CE LYS A 29 4.928 -5.823 4.671 1.00 0.00 C ATOM 435 NZ LYS A 29 6.095 -6.463 5.341 1.00 0.00 N ATOM 0 H LYS A 29 3.159 0.196 4.591 1.00 0.00 H new ATOM 0 HA LYS A 29 5.591 -1.342 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.839 -2.266 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.625 -1.885 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.919 -4.247 4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.695 -3.616 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.850 -4.035 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.366 -3.938 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.014 -6.089 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.833 -6.212 3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.965 -7.495 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.965 -6.230 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.171 -6.112 6.317 1.00 0.00 H new ATOM 449 N ALA A 30 3.595 -1.680 1.954 1.00 0.00 N ATOM 450 CA ALA A 30 3.579 -1.966 0.525 1.00 0.00 C ATOM 451 C ALA A 30 4.580 -1.090 -0.221 1.00 0.00 C ATOM 452 O ALA A 30 5.175 -1.515 -1.212 1.00 0.00 O ATOM 453 CB ALA A 30 2.180 -1.768 -0.038 1.00 0.00 C ATOM 0 H ALA A 30 2.671 -1.596 2.377 1.00 0.00 H new ATOM 0 HA ALA A 30 3.871 -3.007 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.184 -1.985 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.486 -2.440 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.866 -0.736 0.121 1.00 0.00 H new ATOM 459 N LEU A 31 4.761 0.135 0.260 1.00 0.00 N ATOM 460 CA LEU A 31 5.690 1.072 -0.362 1.00 0.00 C ATOM 461 C LEU A 31 7.112 0.521 -0.346 1.00 0.00 C ATOM 462 O LEU A 31 7.828 0.599 -1.344 1.00 0.00 O ATOM 463 CB LEU A 31 5.645 2.420 0.360 1.00 0.00 C ATOM 464 CG LEU A 31 4.562 3.395 -0.104 1.00 0.00 C ATOM 465 CD1 LEU A 31 4.761 4.759 0.538 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.564 3.512 -1.621 1.00 0.00 C ATOM 0 H LEU A 31 4.277 0.503 1.079 1.00 0.00 H new ATOM 0 HA LEU A 31 5.386 1.212 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.506 2.234 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.615 2.904 0.244 1.00 0.00 H new ATOM 0 HG LEU A 31 3.593 3.007 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.981 5.439 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.708 4.662 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.737 5.155 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.787 4.210 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.535 3.876 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.371 2.534 -2.062 1.00 0.00 H new ATOM 478 N GLU A 32 7.512 -0.038 0.792 1.00 0.00 N ATOM 479 CA GLU A 32 8.848 -0.603 0.936 1.00 0.00 C ATOM 480 C GLU A 32 8.928 -1.982 0.287 1.00 0.00 C ATOM 481 O GLU A 32 9.819 -2.252 -0.518 1.00 0.00 O ATOM 482 CB GLU A 32 9.228 -0.700 2.415 1.00 0.00 C ATOM 483 CG GLU A 32 9.623 0.632 3.030 1.00 0.00 C ATOM 484 CD GLU A 32 10.987 1.107 2.568 1.00 0.00 C ATOM 485 OE1 GLU A 32 11.991 0.449 2.912 1.00 0.00 O ATOM 486 OE2 GLU A 32 11.050 2.135 1.863 1.00 0.00 O ATOM 0 H GLU A 32 6.930 -0.111 1.627 1.00 0.00 H new ATOM 0 HA GLU A 32 9.551 0.059 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.386 -1.112 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.056 -1.401 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.875 1.382 2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.623 0.541 4.116 1.00 0.00 H new ATOM 493 N THR A 33 7.989 -2.853 0.645 1.00 0.00 N ATOM 494 CA THR A 33 7.953 -4.205 0.100 1.00 0.00 C ATOM 495 C THR A 33 8.055 -4.188 -1.421 1.00 0.00 C ATOM 496 O THR A 33 8.603 -5.109 -2.026 1.00 0.00 O ATOM 497 CB THR A 33 6.663 -4.941 0.509 1.00 0.00 C ATOM 498 OG1 THR A 33 6.612 -5.087 1.933 1.00 0.00 O ATOM 499 CG2 THR A 33 6.590 -6.310 -0.149 1.00 0.00 C ATOM 0 H THR A 33 7.244 -2.646 1.310 1.00 0.00 H new ATOM 0 HA THR A 33 8.811 -4.735 0.513 1.00 0.00 H new ATOM 0 HB THR A 33 5.811 -4.349 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.414 -6.020 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.671 -6.811 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.599 -6.194 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.448 -6.908 0.159 1.00 0.00 H new ATOM 507 N CYS A 34 7.524 -3.135 -2.032 1.00 0.00 N ATOM 508 CA CYS A 34 7.555 -2.998 -3.484 1.00 0.00 C ATOM 509 C CYS A 34 8.654 -2.033 -3.916 1.00 0.00 C ATOM 510 O CYS A 34 9.345 -2.266 -4.907 1.00 0.00 O ATOM 511 CB CYS A 34 6.200 -2.512 -4.001 1.00 0.00 C ATOM 512 SG CYS A 34 4.801 -3.528 -3.473 1.00 0.00 S ATOM 0 H CYS A 34 7.067 -2.364 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 34 7.768 -3.978 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.040 -1.488 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.226 -2.487 -5.090 1.00 0.00 H new ATOM 0 HG CYS A 34 3.971 -3.671 -4.463 1.00 0.00 H new ATOM 518 N GLY A 35 8.808 -0.946 -3.166 1.00 0.00 N ATOM 519 CA GLY A 35 9.824 0.040 -3.488 1.00 0.00 C ATOM 520 C GLY A 35 9.230 1.337 -3.999 1.00 0.00 C ATOM 521 O GLY A 35 9.217 1.589 -5.203 1.00 0.00 O ATOM 0 H GLY A 35 8.248 -0.730 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.423 0.243 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.498 -0.369 -4.241 1.00 0.00 H new ATOM 525 N GLY A 36 8.736 2.163 -3.082 1.00 0.00 N ATOM 526 CA GLY A 36 8.144 3.430 -3.467 1.00 0.00 C ATOM 527 C GLY A 36 7.420 3.352 -4.796 1.00 0.00 C ATOM 528 O GLY A 36 7.489 4.279 -5.604 1.00 0.00 O ATOM 0 H GLY A 36 8.735 1.977 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.445 3.751 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.924 4.189 -3.526 1.00 0.00 H new ATOM 532 N ASP A 37 6.725 2.243 -5.025 1.00 0.00 N ATOM 533 CA ASP A 37 5.986 2.047 -6.267 1.00 0.00 C ATOM 534 C ASP A 37 4.482 2.058 -6.012 1.00 0.00 C ATOM 535 O ASP A 37 3.889 1.028 -5.689 1.00 0.00 O ATOM 536 CB ASP A 37 6.394 0.728 -6.925 1.00 0.00 C ATOM 537 CG ASP A 37 6.133 0.722 -8.419 1.00 0.00 C ATOM 538 OD1 ASP A 37 5.230 1.458 -8.867 1.00 0.00 O ATOM 539 OD2 ASP A 37 6.834 -0.019 -9.140 1.00 0.00 O ATOM 0 H ASP A 37 6.658 1.466 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 37 6.229 2.870 -6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.453 0.547 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.846 -0.092 -6.460 1.00 0.00 H new ATOM 544 N LEU A 38 3.871 3.229 -6.157 1.00 0.00 N ATOM 545 CA LEU A 38 2.436 3.375 -5.941 1.00 0.00 C ATOM 546 C LEU A 38 1.666 2.244 -6.616 1.00 0.00 C ATOM 547 O LEU A 38 0.957 1.482 -5.957 1.00 0.00 O ATOM 548 CB LEU A 38 1.955 4.725 -6.477 1.00 0.00 C ATOM 549 CG LEU A 38 1.986 5.890 -5.486 1.00 0.00 C ATOM 550 CD1 LEU A 38 3.350 6.563 -5.497 1.00 0.00 C ATOM 551 CD2 LEU A 38 0.890 6.895 -5.810 1.00 0.00 C ATOM 0 H LEU A 38 4.347 4.091 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 38 2.248 3.328 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.568 4.991 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.933 4.607 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 38 1.806 5.497 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.354 7.389 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.115 5.839 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.560 6.943 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.927 7.717 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.039 7.284 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.082 6.405 -5.750 1.00 0.00 H new ATOM 563 N LYS A 39 1.811 2.139 -7.932 1.00 0.00 N ATOM 564 CA LYS A 39 1.133 1.099 -8.697 1.00 0.00 C ATOM 565 C LYS A 39 1.410 -0.279 -8.105 1.00 0.00 C ATOM 566 O LYS A 39 0.498 -0.952 -7.624 1.00 0.00 O ATOM 567 CB LYS A 39 1.581 1.138 -10.159 1.00 0.00 C ATOM 568 CG LYS A 39 0.766 0.236 -11.069 1.00 0.00 C ATOM 569 CD LYS A 39 1.164 0.408 -12.526 1.00 0.00 C ATOM 570 CE LYS A 39 0.770 -0.803 -13.358 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.709 -0.944 -13.467 1.00 0.00 N ATOM 0 H LYS A 39 2.393 2.762 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 39 0.060 1.287 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.515 2.163 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.630 0.846 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.906 -0.804 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.294 0.461 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.687 1.300 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.241 0.563 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.201 -0.714 -14.355 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.189 -1.704 -12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.937 -1.781 -14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.118 -1.054 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.106 -0.096 -13.919 1.00 0.00 H new ATOM 585 N GLN A 40 2.673 -0.691 -8.143 1.00 0.00 N ATOM 586 CA GLN A 40 3.068 -1.990 -7.610 1.00 0.00 C ATOM 587 C GLN A 40 2.791 -2.070 -6.113 1.00 0.00 C ATOM 588 O GLN A 40 2.915 -3.133 -5.505 1.00 0.00 O ATOM 589 CB GLN A 40 4.552 -2.245 -7.881 1.00 0.00 C ATOM 590 CG GLN A 40 4.819 -2.916 -9.219 1.00 0.00 C ATOM 591 CD GLN A 40 4.821 -4.429 -9.123 1.00 0.00 C ATOM 592 OE1 GLN A 40 5.584 -5.012 -8.352 1.00 0.00 O ATOM 593 NE2 GLN A 40 3.965 -5.073 -9.908 1.00 0.00 N ATOM 0 H GLN A 40 3.439 -0.145 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 40 2.477 -2.756 -8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.088 -1.296 -7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.957 -2.869 -7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.061 -2.602 -9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.781 -2.579 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.351 -4.549 -10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.921 -6.092 -9.887 1.00 0.00 H new ATOM 602 N ALA A 41 2.417 -0.939 -5.523 1.00 0.00 N ATOM 603 CA ALA A 41 2.121 -0.883 -4.097 1.00 0.00 C ATOM 604 C ALA A 41 0.631 -1.076 -3.838 1.00 0.00 C ATOM 605 O ALA A 41 0.239 -1.658 -2.827 1.00 0.00 O ATOM 606 CB ALA A 41 2.593 0.440 -3.513 1.00 0.00 C ATOM 0 H ALA A 41 2.312 -0.049 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 41 2.656 -1.696 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.366 0.469 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.669 0.538 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.083 1.262 -4.015 1.00 0.00 H new ATOM 612 N GLU A 42 -0.194 -0.584 -4.756 1.00 0.00 N ATOM 613 CA GLU A 42 -1.642 -0.702 -4.624 1.00 0.00 C ATOM 614 C GLU A 42 -2.089 -2.148 -4.819 1.00 0.00 C ATOM 615 O GLU A 42 -3.015 -2.617 -4.157 1.00 0.00 O ATOM 616 CB GLU A 42 -2.344 0.202 -5.639 1.00 0.00 C ATOM 617 CG GLU A 42 -3.845 -0.025 -5.720 1.00 0.00 C ATOM 618 CD GLU A 42 -4.427 0.396 -7.056 1.00 0.00 C ATOM 619 OE1 GLU A 42 -4.304 1.589 -7.405 1.00 0.00 O ATOM 620 OE2 GLU A 42 -5.005 -0.465 -7.750 1.00 0.00 O ATOM 0 H GLU A 42 0.115 -0.100 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.917 -0.387 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.156 1.243 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.906 0.037 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.059 -1.080 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.337 0.532 -4.922 1.00 0.00 H new ATOM 627 N ILE A 43 -1.426 -2.848 -5.733 1.00 0.00 N ATOM 628 CA ILE A 43 -1.754 -4.240 -6.015 1.00 0.00 C ATOM 629 C ILE A 43 -1.439 -5.133 -4.820 1.00 0.00 C ATOM 630 O ILE A 43 -2.210 -6.031 -4.483 1.00 0.00 O ATOM 631 CB ILE A 43 -0.990 -4.761 -7.246 1.00 0.00 C ATOM 632 CG1 ILE A 43 -1.327 -3.917 -8.478 1.00 0.00 C ATOM 633 CG2 ILE A 43 -1.319 -6.225 -7.494 1.00 0.00 C ATOM 634 CD1 ILE A 43 -0.206 -3.850 -9.490 1.00 0.00 C ATOM 0 H ILE A 43 -0.658 -2.474 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.824 -4.276 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 43 0.080 -4.677 -7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.215 -4.328 -8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.577 -2.906 -8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.771 -6.578 -8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.033 -6.815 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.389 -6.333 -7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.515 -3.236 -10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.677 -3.411 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.030 -4.855 -9.839 1.00 0.00 H new ATOM 646 N TRP A 44 -0.302 -4.878 -4.183 1.00 0.00 N ATOM 647 CA TRP A 44 0.115 -5.658 -3.023 1.00 0.00 C ATOM 648 C TRP A 44 -0.941 -5.607 -1.924 1.00 0.00 C ATOM 649 O TRP A 44 -1.472 -6.639 -1.512 1.00 0.00 O ATOM 650 CB TRP A 44 1.451 -5.140 -2.488 1.00 0.00 C ATOM 651 CG TRP A 44 1.983 -5.943 -1.340 1.00 0.00 C ATOM 652 CD1 TRP A 44 2.805 -7.032 -1.412 1.00 0.00 C ATOM 653 CD2 TRP A 44 1.729 -5.722 0.052 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.076 -7.501 -0.150 1.00 0.00 N ATOM 655 CE2 TRP A 44 2.429 -6.714 0.766 1.00 0.00 C ATOM 656 CE3 TRP A 44 0.980 -4.782 0.764 1.00 0.00 C ATOM 657 CZ2 TRP A 44 2.400 -6.791 2.156 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.951 -4.860 2.144 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.658 -5.858 2.828 1.00 0.00 C ATOM 0 H TRP A 44 0.347 -4.138 -4.450 1.00 0.00 H new ATOM 0 HA TRP A 44 0.235 -6.695 -3.338 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.184 -5.144 -3.295 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.330 -4.104 -2.172 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.186 -7.461 -2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.664 -8.305 0.070 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.433 -4.008 0.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.944 -7.560 2.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.374 -4.140 2.704 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.616 -5.891 3.907 1.00 0.00 H new ATOM 670 N LEU A 45 -1.241 -4.402 -1.454 1.00 0.00 N ATOM 671 CA LEU A 45 -2.235 -4.217 -0.402 1.00 0.00 C ATOM 672 C LEU A 45 -3.470 -5.074 -0.663 1.00 0.00 C ATOM 673 O LEU A 45 -3.983 -5.733 0.242 1.00 0.00 O ATOM 674 CB LEU A 45 -2.635 -2.743 -0.305 1.00 0.00 C ATOM 675 CG LEU A 45 -1.552 -1.786 0.195 1.00 0.00 C ATOM 676 CD1 LEU A 45 -1.841 -0.366 -0.267 1.00 0.00 C ATOM 677 CD2 LEU A 45 -1.447 -1.845 1.712 1.00 0.00 C ATOM 0 H LEU A 45 -0.811 -3.538 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.791 -4.530 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.960 -2.410 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.496 -2.664 0.358 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.596 -2.096 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.060 0.301 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.865 -0.335 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.806 -0.045 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.671 -1.158 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.402 -1.561 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.192 -2.859 2.020 1.00 0.00 H new ATOM 689 N HIS A 46 -3.940 -5.063 -1.906 1.00 0.00 N ATOM 690 CA HIS A 46 -5.113 -5.842 -2.287 1.00 0.00 C ATOM 691 C HIS A 46 -4.849 -7.336 -2.125 1.00 0.00 C ATOM 692 O HIS A 46 -5.690 -8.074 -1.612 1.00 0.00 O ATOM 693 CB HIS A 46 -5.508 -5.535 -3.732 1.00 0.00 C ATOM 694 CG HIS A 46 -5.796 -4.087 -3.980 1.00 0.00 C ATOM 695 ND1 HIS A 46 -6.505 -3.299 -3.097 1.00 0.00 N ATOM 696 CD2 HIS A 46 -5.465 -3.283 -5.017 1.00 0.00 C ATOM 697 CE1 HIS A 46 -6.599 -2.074 -3.583 1.00 0.00 C ATOM 698 NE2 HIS A 46 -5.976 -2.037 -4.747 1.00 0.00 N ATOM 0 H HIS A 46 -3.527 -4.523 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.934 -5.563 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.705 -5.856 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.389 -6.122 -3.991 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.895 -3.613 -2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.903 -3.568 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.100 -1.243 -3.109 1.00 0.00 H new ATOM 707 N LYS A 47 -3.675 -7.775 -2.567 1.00 0.00 N ATOM 708 CA LYS A 47 -3.299 -9.181 -2.471 1.00 0.00 C ATOM 709 C LYS A 47 -3.305 -9.648 -1.019 1.00 0.00 C ATOM 710 O LYS A 47 -3.778 -10.742 -0.713 1.00 0.00 O ATOM 711 CB LYS A 47 -1.913 -9.402 -3.083 1.00 0.00 C ATOM 712 CG LYS A 47 -1.946 -9.691 -4.574 1.00 0.00 C ATOM 713 CD LYS A 47 -0.570 -10.063 -5.100 1.00 0.00 C ATOM 714 CE LYS A 47 0.201 -8.835 -5.562 1.00 0.00 C ATOM 715 NZ LYS A 47 1.623 -9.155 -5.864 1.00 0.00 N ATOM 0 H LYS A 47 -2.968 -7.178 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.033 -9.766 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.302 -8.517 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.427 -10.233 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.645 -10.504 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.316 -8.815 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.007 -10.575 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.673 -10.762 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.275 -8.421 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.158 -8.067 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.114 -8.293 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.084 -9.527 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.665 -9.869 -6.619 1.00 0.00 H new ATOM 729 N GLU A 48 -2.779 -8.811 -0.130 1.00 0.00 N ATOM 730 CA GLU A 48 -2.726 -9.140 1.289 1.00 0.00 C ATOM 731 C GLU A 48 -4.123 -9.123 1.905 1.00 0.00 C ATOM 732 O GLU A 48 -4.452 -9.959 2.746 1.00 0.00 O ATOM 733 CB GLU A 48 -1.819 -8.155 2.030 1.00 0.00 C ATOM 734 CG GLU A 48 -0.357 -8.571 2.049 1.00 0.00 C ATOM 735 CD GLU A 48 -0.086 -9.706 3.018 1.00 0.00 C ATOM 736 OE1 GLU A 48 -0.907 -10.645 3.077 1.00 0.00 O ATOM 737 OE2 GLU A 48 0.948 -9.655 3.716 1.00 0.00 O ATOM 0 H GLU A 48 -2.384 -7.901 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.317 -10.145 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.903 -7.174 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.172 -8.050 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.056 -8.875 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.258 -7.713 2.320 1.00 0.00 H new ATOM 744 N ALA A 49 -4.939 -8.165 1.478 1.00 0.00 N ATOM 745 CA ALA A 49 -6.300 -8.040 1.985 1.00 0.00 C ATOM 746 C ALA A 49 -7.138 -9.259 1.615 1.00 0.00 C ATOM 747 O ALA A 49 -7.958 -9.722 2.407 1.00 0.00 O ATOM 748 CB ALA A 49 -6.947 -6.770 1.452 1.00 0.00 C ATOM 0 H ALA A 49 -4.681 -7.465 0.783 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.252 -7.982 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.963 -6.689 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.367 -5.904 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.975 -6.805 0.363 1.00 0.00 H new ATOM 754 N GLN A 50 -6.927 -9.772 0.407 1.00 0.00 N ATOM 755 CA GLN A 50 -7.665 -10.936 -0.067 1.00 0.00 C ATOM 756 C GLN A 50 -7.128 -12.216 0.565 1.00 0.00 C ATOM 757 O GLN A 50 -7.894 -13.079 0.993 1.00 0.00 O ATOM 758 CB GLN A 50 -7.583 -11.032 -1.591 1.00 0.00 C ATOM 759 CG GLN A 50 -7.649 -12.458 -2.116 1.00 0.00 C ATOM 760 CD GLN A 50 -9.000 -13.104 -1.881 1.00 0.00 C ATOM 761 OE1 GLN A 50 -9.562 -13.016 -0.789 1.00 0.00 O ATOM 762 NE2 GLN A 50 -9.529 -13.759 -2.908 1.00 0.00 N ATOM 0 H GLN A 50 -6.251 -9.400 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.708 -10.818 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.398 -10.455 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.653 -10.573 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.431 -12.458 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.876 -13.055 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.028 -13.806 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.436 -14.215 -2.810 1.00 0.00 H new ATOM 771 N LYS A 51 -5.806 -12.332 0.620 1.00 0.00 N ATOM 772 CA LYS A 51 -5.164 -13.506 1.200 1.00 0.00 C ATOM 773 C LYS A 51 -5.449 -13.598 2.696 1.00 0.00 C ATOM 774 O LYS A 51 -5.786 -14.665 3.207 1.00 0.00 O ATOM 775 CB LYS A 51 -3.653 -13.458 0.959 1.00 0.00 C ATOM 776 CG LYS A 51 -3.255 -13.775 -0.472 1.00 0.00 C ATOM 777 CD LYS A 51 -1.934 -13.121 -0.841 1.00 0.00 C ATOM 778 CE LYS A 51 -0.753 -13.886 -0.263 1.00 0.00 C ATOM 779 NZ LYS A 51 -0.593 -15.223 -0.900 1.00 0.00 N ATOM 0 H LYS A 51 -5.157 -11.627 0.270 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.575 -14.391 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.283 -12.466 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.164 -14.166 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.175 -14.855 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.035 -13.432 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.841 -13.072 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.919 -12.095 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.159 -13.306 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.891 -14.010 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.371 -15.575 -0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.281 -15.887 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.757 -15.142 -1.924 1.00 0.00 H new ATOM 793 N GLU A 52 -5.312 -12.473 3.390 1.00 0.00 N ATOM 794 CA GLU A 52 -5.555 -12.428 4.827 1.00 0.00 C ATOM 795 C GLU A 52 -7.032 -12.179 5.121 1.00 0.00 C ATOM 796 O GLU A 52 -7.690 -12.985 5.778 1.00 0.00 O ATOM 797 CB GLU A 52 -4.703 -11.337 5.478 1.00 0.00 C ATOM 798 CG GLU A 52 -3.208 -11.551 5.311 1.00 0.00 C ATOM 799 CD GLU A 52 -2.691 -12.716 6.132 1.00 0.00 C ATOM 800 OE1 GLU A 52 -3.054 -12.812 7.322 1.00 0.00 O ATOM 801 OE2 GLU A 52 -1.922 -13.533 5.583 1.00 0.00 O ATOM 0 H GLU A 52 -5.034 -11.581 2.981 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.276 -13.394 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.973 -10.372 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.938 -11.290 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.985 -11.726 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.680 -10.643 5.602 1.00 0.00 H new ATOM 808 N GLY A 53 -7.546 -11.056 4.630 1.00 0.00 N ATOM 809 CA GLY A 53 -8.940 -10.719 4.851 1.00 0.00 C ATOM 810 C GLY A 53 -9.111 -9.557 5.808 1.00 0.00 C ATOM 811 O GLY A 53 -9.362 -9.755 6.997 1.00 0.00 O ATOM 0 H GLY A 53 -7.022 -10.373 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.406 -10.472 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.463 -11.590 5.245 1.00 0.00 H new ATOM 815 N TRP A 54 -8.974 -8.341 5.291 1.00 0.00 N ATOM 816 CA TRP A 54 -9.114 -7.142 6.110 1.00 0.00 C ATOM 817 C TRP A 54 -10.547 -6.624 6.076 1.00 0.00 C ATOM 818 O TRP A 54 -11.335 -7.006 5.211 1.00 0.00 O ATOM 819 CB TRP A 54 -8.154 -6.054 5.625 1.00 0.00 C ATOM 820 CG TRP A 54 -6.711 -6.450 5.719 1.00 0.00 C ATOM 821 CD1 TRP A 54 -6.144 -7.261 6.659 1.00 0.00 C ATOM 822 CD2 TRP A 54 -5.654 -6.049 4.841 1.00 0.00 C ATOM 823 NE1 TRP A 54 -4.797 -7.389 6.419 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.472 -6.656 5.308 1.00 0.00 C ATOM 825 CE3 TRP A 54 -5.591 -5.239 3.704 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -3.243 -6.476 4.678 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -4.371 -5.061 3.080 1.00 0.00 C ATOM 828 CH2 TRP A 54 -3.211 -5.678 3.567 1.00 0.00 C ATOM 0 H TRP A 54 -8.766 -8.159 4.309 1.00 0.00 H new ATOM 0 HA TRP A 54 -8.866 -7.404 7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.389 -5.807 4.590 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.314 -5.150 6.212 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.676 -7.733 7.472 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.145 -7.940 6.977 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.480 -4.761 3.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.348 -6.949 5.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.311 -4.435 2.202 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.273 -5.521 3.055 1.00 0.00 H new ATOM 839 N SER A 55 -10.879 -5.753 7.024 1.00 0.00 N ATOM 840 CA SER A 55 -12.220 -5.186 7.105 1.00 0.00 C ATOM 841 C SER A 55 -12.168 -3.661 7.073 1.00 0.00 C ATOM 842 O SER A 55 -11.801 -3.020 8.058 1.00 0.00 O ATOM 843 CB SER A 55 -12.920 -5.657 8.381 1.00 0.00 C ATOM 844 OG SER A 55 -12.191 -5.274 9.534 1.00 0.00 O ATOM 0 H SER A 55 -10.238 -5.425 7.746 1.00 0.00 H new ATOM 0 HA SER A 55 -12.786 -5.531 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.924 -5.235 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.030 -6.741 8.360 1.00 0.00 H new ATOM 0 HG SER A 55 -11.727 -4.428 9.362 1.00 0.00 H new ATOM 850 N LYS A 56 -12.537 -3.087 5.933 1.00 0.00 N ATOM 851 CA LYS A 56 -12.534 -1.638 5.770 1.00 0.00 C ATOM 852 C LYS A 56 -13.900 -1.139 5.308 1.00 0.00 C ATOM 853 O LYS A 56 -14.527 -0.314 5.972 1.00 0.00 O ATOM 854 CB LYS A 56 -11.460 -1.219 4.764 1.00 0.00 C ATOM 855 CG LYS A 56 -10.049 -1.271 5.324 1.00 0.00 C ATOM 856 CD LYS A 56 -9.765 -0.085 6.231 1.00 0.00 C ATOM 857 CE LYS A 56 -8.286 0.012 6.575 1.00 0.00 C ATOM 858 NZ LYS A 56 -7.988 1.210 7.407 1.00 0.00 N ATOM 0 H LYS A 56 -12.842 -3.603 5.108 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.311 -1.190 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.519 -1.868 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.669 -0.205 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.912 -2.198 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.331 -1.283 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.087 0.834 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.347 -0.179 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.978 -0.887 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.701 0.053 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.971 1.240 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.259 2.069 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.526 1.158 8.295 1.00 0.00 H new ATOM 872 N ALA A 57 -14.355 -1.647 4.168 1.00 0.00 N ATOM 873 CA ALA A 57 -15.648 -1.256 3.620 1.00 0.00 C ATOM 874 C ALA A 57 -16.598 -2.447 3.552 1.00 0.00 C ATOM 875 O ALA A 57 -16.173 -3.598 3.639 1.00 0.00 O ATOM 876 CB ALA A 57 -15.472 -0.640 2.240 1.00 0.00 C ATOM 0 H ALA A 57 -13.848 -2.330 3.606 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.087 -0.512 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.446 -0.353 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.836 0.242 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.008 -1.367 1.573 1.00 0.00 H new ATOM 882 N ALA A 58 -17.887 -2.161 3.397 1.00 0.00 N ATOM 883 CA ALA A 58 -18.897 -3.209 3.316 1.00 0.00 C ATOM 884 C ALA A 58 -18.506 -4.271 2.295 1.00 0.00 C ATOM 885 O ALA A 58 -18.540 -5.467 2.584 1.00 0.00 O ATOM 886 CB ALA A 58 -20.252 -2.610 2.966 1.00 0.00 C ATOM 0 H ALA A 58 -18.256 -1.213 3.325 1.00 0.00 H new ATOM 0 HA ALA A 58 -18.966 -3.690 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -20.997 -3.404 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -20.543 -1.894 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -20.188 -2.103 2.003 1.00 0.00 H new ATOM 892 N SER A 59 -18.136 -3.827 1.098 1.00 0.00 N ATOM 893 CA SER A 59 -17.743 -4.740 0.031 1.00 0.00 C ATOM 894 C SER A 59 -16.241 -4.663 -0.224 1.00 0.00 C ATOM 895 O SER A 59 -15.547 -3.815 0.337 1.00 0.00 O ATOM 896 CB SER A 59 -18.507 -4.416 -1.254 1.00 0.00 C ATOM 897 OG SER A 59 -17.935 -3.305 -1.922 1.00 0.00 O ATOM 0 H SER A 59 -18.100 -2.840 0.843 1.00 0.00 H new ATOM 0 HA SER A 59 -17.989 -5.754 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.500 -5.284 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.550 -4.204 -1.017 1.00 0.00 H new ATOM 0 HG SER A 59 -18.441 -3.120 -2.741 1.00 0.00 H new ATOM 903 N GLY A 60 -15.744 -5.554 -1.076 1.00 0.00 N ATOM 904 CA GLY A 60 -14.328 -5.571 -1.392 1.00 0.00 C ATOM 905 C GLY A 60 -14.023 -4.916 -2.724 1.00 0.00 C ATOM 906 O GLY A 60 -14.862 -4.869 -3.624 1.00 0.00 O ATOM 0 H GLY A 60 -16.298 -6.265 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.777 -5.058 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.975 -6.602 -1.408 1.00 0.00 H new ATOM 910 N PRO A 61 -12.796 -4.392 -2.863 1.00 0.00 N ATOM 911 CA PRO A 61 -12.355 -3.725 -4.092 1.00 0.00 C ATOM 912 C PRO A 61 -12.176 -4.702 -5.249 1.00 0.00 C ATOM 913 O PRO A 61 -12.697 -4.485 -6.343 1.00 0.00 O ATOM 914 CB PRO A 61 -11.009 -3.110 -3.698 1.00 0.00 C ATOM 915 CG PRO A 61 -10.519 -3.959 -2.576 1.00 0.00 C ATOM 916 CD PRO A 61 -11.745 -4.411 -1.832 1.00 0.00 C ATOM 0 HA PRO A 61 -13.085 -2.997 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.310 -3.117 -4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.124 -2.071 -3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.953 -4.812 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.852 -3.396 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.614 -5.407 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.982 -3.743 -1.004 1.00 0.00 H new ATOM 924 N SER A 62 -11.436 -5.778 -5.001 1.00 0.00 N ATOM 925 CA SER A 62 -11.186 -6.786 -6.024 1.00 0.00 C ATOM 926 C SER A 62 -12.480 -7.174 -6.732 1.00 0.00 C ATOM 927 O SER A 62 -13.386 -7.744 -6.124 1.00 0.00 O ATOM 928 CB SER A 62 -10.541 -8.026 -5.401 1.00 0.00 C ATOM 929 OG SER A 62 -9.289 -7.710 -4.815 1.00 0.00 O ATOM 0 H SER A 62 -10.999 -5.974 -4.100 1.00 0.00 H new ATOM 0 HA SER A 62 -10.503 -6.360 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.205 -8.444 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.406 -8.792 -6.165 1.00 0.00 H new ATOM 0 HG SER A 62 -8.898 -8.518 -4.422 1.00 0.00 H new ATOM 935 N SER A 63 -12.558 -6.861 -8.021 1.00 0.00 N ATOM 936 CA SER A 63 -13.743 -7.173 -8.813 1.00 0.00 C ATOM 937 C SER A 63 -13.495 -8.384 -9.707 1.00 0.00 C ATOM 938 O SER A 63 -14.365 -9.238 -9.870 1.00 0.00 O ATOM 939 CB SER A 63 -14.143 -5.968 -9.667 1.00 0.00 C ATOM 940 OG SER A 63 -13.102 -5.606 -10.558 1.00 0.00 O ATOM 0 H SER A 63 -11.815 -6.392 -8.540 1.00 0.00 H new ATOM 0 HA SER A 63 -14.557 -7.410 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.045 -6.202 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.383 -5.124 -9.021 1.00 0.00 H new ATOM 0 HG SER A 63 -13.383 -4.835 -11.093 1.00 0.00 H new ATOM 946 N GLY A 64 -12.299 -8.451 -10.285 1.00 0.00 N ATOM 947 CA GLY A 64 -11.957 -9.560 -11.156 1.00 0.00 C ATOM 948 C GLY A 64 -10.460 -9.703 -11.351 1.00 0.00 C ATOM 949 O GLY A 64 -10.011 -10.390 -12.268 1.00 0.00 O ATOM 0 H GLY A 64 -11.561 -7.757 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.356 -10.484 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.435 -9.418 -12.125 1.00 0.00 H new TER 953 GLY A 64