USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 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 4 SER OG : rot 180:sc= 0.629 USER MOD Set 1.2: A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc=-6.07e-05 (180deg=-0.086) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -0.0135 (180deg=-0.183) USER MOD Single : A 11 SER OG : rot 71:sc= 0.69 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -7.6! C(o=-7.6!,f=-6.6!) USER MOD Single : A 18 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.9!) USER MOD Single : A 19 MET CE :methyl -110:sc= -1.07 (180deg=-3.71!) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0406 (180deg=-0.28) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.5 K(o=-0.5,f=-3.6) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 49 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.03) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.362 0.311 3.156 1.00 20.44 N ATOM 2 CA MET A 1 -19.431 0.437 2.002 1.00 53.24 C ATOM 3 C MET A 1 -19.248 -0.917 1.299 1.00 44.22 C ATOM 4 O MET A 1 -18.615 -1.823 1.840 1.00 72.14 O ATOM 5 CB MET A 1 -18.067 0.977 2.461 1.00 23.44 C ATOM 6 CG MET A 1 -18.147 2.328 3.158 1.00 24.54 C ATOM 7 SD MET A 1 -18.943 3.586 2.138 1.00 31.32 S ATOM 8 CE MET A 1 -18.833 5.017 3.212 1.00 64.33 C ATOM 0 H1 MET A 1 -20.578 1.256 3.533 1.00 20.44 H new ATOM 0 H2 MET A 1 -21.242 -0.147 2.844 1.00 20.44 H new ATOM 0 H3 MET A 1 -19.918 -0.265 3.899 1.00 20.44 H new ATOM 0 HA MET A 1 -19.868 1.142 1.295 1.00 53.24 H new ATOM 0 HB2 MET A 1 -17.610 0.255 3.138 1.00 23.44 H new ATOM 0 HB3 MET A 1 -17.410 1.063 1.595 1.00 23.44 H new ATOM 0 HG2 MET A 1 -18.699 2.219 4.092 1.00 24.54 H new ATOM 0 HG3 MET A 1 -17.142 2.659 3.419 1.00 24.54 H new ATOM 0 HE1 MET A 1 -19.285 5.878 2.719 1.00 64.33 H new ATOM 0 HE2 MET A 1 -19.361 4.814 4.144 1.00 64.33 H new ATOM 0 HE3 MET A 1 -17.786 5.230 3.428 1.00 64.33 H new ATOM 20 N SER A 2 -19.812 -1.053 0.099 1.00 50.11 N ATOM 21 CA SER A 2 -19.741 -2.312 -0.658 1.00 44.54 C ATOM 22 C SER A 2 -18.334 -2.579 -1.204 1.00 74.34 C ATOM 23 O SER A 2 -17.820 -3.694 -1.101 1.00 70.01 O ATOM 24 CB SER A 2 -20.755 -2.302 -1.809 1.00 23.20 C ATOM 25 OG SER A 2 -22.086 -2.201 -1.318 1.00 53.40 O ATOM 0 H SER A 2 -20.325 -0.309 -0.374 1.00 50.11 H new ATOM 0 HA SER A 2 -19.985 -3.117 0.035 1.00 44.54 H new ATOM 0 HB2 SER A 2 -20.545 -1.465 -2.475 1.00 23.20 H new ATOM 0 HB3 SER A 2 -20.650 -3.213 -2.398 1.00 23.20 H new ATOM 0 HG SER A 2 -22.713 -2.195 -2.071 1.00 53.40 H new ATOM 31 N GLU A 3 -17.720 -1.557 -1.792 1.00 30.50 N ATOM 32 CA GLU A 3 -16.356 -1.678 -2.319 1.00 44.32 C ATOM 33 C GLU A 3 -15.309 -1.561 -1.200 1.00 3.33 C ATOM 34 O GLU A 3 -15.580 -1.004 -0.134 1.00 24.42 O ATOM 35 CB GLU A 3 -16.104 -0.621 -3.408 1.00 42.15 C ATOM 36 CG GLU A 3 -16.933 -0.839 -4.670 1.00 11.11 C ATOM 37 CD GLU A 3 -16.678 0.211 -5.741 1.00 51.10 C ATOM 38 OE1 GLU A 3 -15.557 0.251 -6.291 1.00 51.43 O ATOM 39 OE2 GLU A 3 -17.600 1.004 -6.035 1.00 30.14 O ATOM 0 H GLU A 3 -18.140 -0.636 -1.918 1.00 30.50 H new ATOM 0 HA GLU A 3 -16.257 -2.668 -2.763 1.00 44.32 H new ATOM 0 HB2 GLU A 3 -16.326 0.366 -3.003 1.00 42.15 H new ATOM 0 HB3 GLU A 3 -15.046 -0.627 -3.672 1.00 42.15 H new ATOM 0 HG2 GLU A 3 -16.711 -1.826 -5.077 1.00 11.11 H new ATOM 0 HG3 GLU A 3 -17.991 -0.833 -4.408 1.00 11.11 H new ATOM 46 N SER A 4 -14.116 -2.093 -1.446 1.00 64.55 N ATOM 47 CA SER A 4 -13.053 -2.129 -0.433 1.00 71.32 C ATOM 48 C SER A 4 -11.839 -1.289 -0.843 1.00 3.32 C ATOM 49 O SER A 4 -11.119 -1.634 -1.785 1.00 53.45 O ATOM 50 CB SER A 4 -12.599 -3.574 -0.178 1.00 44.42 C ATOM 51 OG SER A 4 -11.488 -3.616 0.707 1.00 43.14 O ATOM 0 H SER A 4 -13.855 -2.508 -2.340 1.00 64.55 H new ATOM 0 HA SER A 4 -13.473 -1.705 0.479 1.00 71.32 H new ATOM 0 HB2 SER A 4 -13.424 -4.148 0.243 1.00 44.42 H new ATOM 0 HB3 SER A 4 -12.332 -4.046 -1.123 1.00 44.42 H new ATOM 0 HG SER A 4 -11.221 -4.548 0.853 1.00 43.14 H new ATOM 57 N ILE A 5 -11.614 -0.187 -0.135 1.00 73.24 N ATOM 58 CA ILE A 5 -10.412 0.627 -0.337 1.00 45.13 C ATOM 59 C ILE A 5 -9.162 -0.163 0.079 1.00 30.51 C ATOM 60 O ILE A 5 -8.093 -0.027 -0.523 1.00 12.10 O ATOM 61 CB ILE A 5 -10.478 1.954 0.465 1.00 31.30 C ATOM 62 CG1 ILE A 5 -11.725 2.762 0.065 1.00 43.15 C ATOM 63 CG2 ILE A 5 -9.207 2.778 0.252 1.00 22.44 C ATOM 64 CD1 ILE A 5 -11.880 4.072 0.816 1.00 40.35 C ATOM 0 H ILE A 5 -12.245 0.166 0.584 1.00 73.24 H new ATOM 0 HA ILE A 5 -10.356 0.873 -1.397 1.00 45.13 H new ATOM 0 HB ILE A 5 -10.551 1.712 1.525 1.00 31.30 H new ATOM 0 HG12 ILE A 5 -11.682 2.971 -1.004 1.00 43.15 H new ATOM 0 HG13 ILE A 5 -12.611 2.151 0.235 1.00 43.15 H new ATOM 0 HG21 ILE A 5 -9.274 3.704 0.823 1.00 22.44 H new ATOM 0 HG22 ILE A 5 -8.342 2.206 0.588 1.00 22.44 H new ATOM 0 HG23 ILE A 5 -9.098 3.012 -0.807 1.00 22.44 H new ATOM 0 HD11 ILE A 5 -12.782 4.581 0.477 1.00 40.35 H new ATOM 0 HD12 ILE A 5 -11.956 3.872 1.885 1.00 40.35 H new ATOM 0 HD13 ILE A 5 -11.013 4.705 0.626 1.00 40.35 H new ATOM 76 N VAL A 6 -9.314 -1.005 1.102 1.00 45.52 N ATOM 77 CA VAL A 6 -8.230 -1.879 1.563 1.00 71.12 C ATOM 78 C VAL A 6 -7.740 -2.806 0.435 1.00 70.32 C ATOM 79 O VAL A 6 -6.550 -2.830 0.111 1.00 43.03 O ATOM 80 CB VAL A 6 -8.676 -2.734 2.777 1.00 1.00 C ATOM 81 CG1 VAL A 6 -7.540 -3.636 3.258 1.00 21.43 C ATOM 82 CG2 VAL A 6 -9.179 -1.839 3.913 1.00 24.05 C ATOM 0 H VAL A 6 -10.181 -1.102 1.631 1.00 45.52 H new ATOM 0 HA VAL A 6 -7.408 -1.232 1.869 1.00 71.12 H new ATOM 0 HB VAL A 6 -9.499 -3.373 2.457 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -7.879 -4.225 4.110 1.00 21.43 H new ATOM 0 HG12 VAL A 6 -7.240 -4.305 2.451 1.00 21.43 H new ATOM 0 HG13 VAL A 6 -6.690 -3.023 3.556 1.00 21.43 H new ATOM 0 HG21 VAL A 6 -9.487 -2.459 4.755 1.00 24.05 H new ATOM 0 HG22 VAL A 6 -8.380 -1.168 4.229 1.00 24.05 H new ATOM 0 HG23 VAL A 6 -10.029 -1.252 3.565 1.00 24.05 H new ATOM 92 N THR A 7 -8.662 -3.563 -0.167 1.00 22.44 N ATOM 93 CA THR A 7 -8.325 -4.437 -1.301 1.00 31.30 C ATOM 94 C THR A 7 -7.785 -3.619 -2.489 1.00 25.53 C ATOM 95 O THR A 7 -6.914 -4.079 -3.234 1.00 45.41 O ATOM 96 CB THR A 7 -9.546 -5.269 -1.773 1.00 21.00 C ATOM 97 OG1 THR A 7 -10.064 -6.065 -0.691 1.00 20.12 O ATOM 98 CG2 THR A 7 -9.177 -6.187 -2.937 1.00 54.11 C ATOM 0 H THR A 7 -9.644 -3.590 0.108 1.00 22.44 H new ATOM 0 HA THR A 7 -7.553 -5.120 -0.948 1.00 31.30 H new ATOM 0 HB THR A 7 -10.308 -4.565 -2.108 1.00 21.00 H new ATOM 0 HG1 THR A 7 -10.835 -6.582 -1.005 1.00 20.12 H new ATOM 0 HG21 THR A 7 -10.055 -6.756 -3.244 1.00 54.11 H new ATOM 0 HG22 THR A 7 -8.822 -5.587 -3.775 1.00 54.11 H new ATOM 0 HG23 THR A 7 -8.391 -6.874 -2.624 1.00 54.11 H new ATOM 106 N LYS A 8 -8.306 -2.403 -2.655 1.00 72.53 N ATOM 107 CA LYS A 8 -7.825 -1.483 -3.692 1.00 1.04 C ATOM 108 C LYS A 8 -6.331 -1.182 -3.500 1.00 12.23 C ATOM 109 O LYS A 8 -5.537 -1.294 -4.434 1.00 13.44 O ATOM 110 CB LYS A 8 -8.640 -0.176 -3.661 1.00 30.50 C ATOM 111 CG LYS A 8 -8.292 0.811 -4.772 1.00 13.41 C ATOM 112 CD LYS A 8 -9.110 2.096 -4.656 1.00 14.10 C ATOM 113 CE LYS A 8 -8.817 3.067 -5.795 1.00 44.25 C ATOM 114 NZ LYS A 8 -9.187 2.498 -7.119 1.00 72.33 N ATOM 0 H LYS A 8 -9.064 -2.029 -2.084 1.00 72.53 H new ATOM 0 HA LYS A 8 -7.957 -1.959 -4.664 1.00 1.04 H new ATOM 0 HB2 LYS A 8 -9.700 -0.421 -3.729 1.00 30.50 H new ATOM 0 HB3 LYS A 8 -8.486 0.311 -2.698 1.00 30.50 H new ATOM 0 HG2 LYS A 8 -7.229 1.050 -4.728 1.00 13.41 H new ATOM 0 HG3 LYS A 8 -8.475 0.348 -5.742 1.00 13.41 H new ATOM 0 HD2 LYS A 8 -10.172 1.850 -4.654 1.00 14.10 H new ATOM 0 HD3 LYS A 8 -8.893 2.579 -3.703 1.00 14.10 H new ATOM 0 HE2 LYS A 8 -9.367 3.994 -5.632 1.00 44.25 H new ATOM 0 HE3 LYS A 8 -7.757 3.320 -5.792 1.00 44.25 H new ATOM 0 HZ1 LYS A 8 -9.166 3.249 -7.838 1.00 72.33 H new ATOM 0 HZ2 LYS A 8 -8.510 1.752 -7.378 1.00 72.33 H new ATOM 0 HZ3 LYS A 8 -10.144 2.094 -7.068 1.00 72.33 H new ATOM 128 N ILE A 9 -5.956 -0.823 -2.271 1.00 64.21 N ATOM 129 CA ILE A 9 -4.553 -0.570 -1.919 1.00 4.52 C ATOM 130 C ILE A 9 -3.674 -1.795 -2.224 1.00 43.44 C ATOM 131 O ILE A 9 -2.636 -1.676 -2.874 1.00 52.42 O ATOM 132 CB ILE A 9 -4.415 -0.191 -0.420 1.00 30.32 C ATOM 133 CG1 ILE A 9 -5.112 1.153 -0.141 1.00 14.54 C ATOM 134 CG2 ILE A 9 -2.945 -0.141 -0.001 1.00 10.43 C ATOM 135 CD1 ILE A 9 -5.077 1.581 1.315 1.00 62.52 C ATOM 0 H ILE A 9 -6.608 -0.700 -1.496 1.00 64.21 H new ATOM 0 HA ILE A 9 -4.212 0.267 -2.529 1.00 4.52 H new ATOM 0 HB ILE A 9 -4.904 -0.962 0.175 1.00 30.32 H new ATOM 0 HG12 ILE A 9 -4.641 1.927 -0.747 1.00 14.54 H new ATOM 0 HG13 ILE A 9 -6.151 1.085 -0.463 1.00 14.54 H new ATOM 0 HG21 ILE A 9 -2.876 0.127 1.053 1.00 10.43 H new ATOM 0 HG22 ILE A 9 -2.489 -1.118 -0.158 1.00 10.43 H new ATOM 0 HG23 ILE A 9 -2.421 0.604 -0.600 1.00 10.43 H new ATOM 0 HD11 ILE A 9 -5.589 2.537 1.426 1.00 62.52 H new ATOM 0 HD12 ILE A 9 -5.575 0.829 1.927 1.00 62.52 H new ATOM 0 HD13 ILE A 9 -4.041 1.685 1.639 1.00 62.52 H new ATOM 147 N ILE A 10 -4.106 -2.968 -1.761 1.00 10.01 N ATOM 148 CA ILE A 10 -3.387 -4.225 -2.024 1.00 44.10 C ATOM 149 C ILE A 10 -3.147 -4.432 -3.531 1.00 71.24 C ATOM 150 O ILE A 10 -2.060 -4.831 -3.955 1.00 75.15 O ATOM 151 CB ILE A 10 -4.165 -5.445 -1.461 1.00 70.53 C ATOM 152 CG1 ILE A 10 -4.391 -5.288 0.053 1.00 44.04 C ATOM 153 CG2 ILE A 10 -3.421 -6.747 -1.762 1.00 21.24 C ATOM 154 CD1 ILE A 10 -5.210 -6.406 0.670 1.00 41.44 C ATOM 0 H ILE A 10 -4.951 -3.079 -1.201 1.00 10.01 H new ATOM 0 HA ILE A 10 -2.424 -4.149 -1.519 1.00 44.10 H new ATOM 0 HB ILE A 10 -5.137 -5.487 -1.952 1.00 70.53 H new ATOM 0 HG12 ILE A 10 -3.423 -5.241 0.552 1.00 44.04 H new ATOM 0 HG13 ILE A 10 -4.892 -4.338 0.239 1.00 44.04 H new ATOM 0 HG21 ILE A 10 -3.984 -7.589 -1.359 1.00 21.24 H new ATOM 0 HG22 ILE A 10 -3.315 -6.865 -2.840 1.00 21.24 H new ATOM 0 HG23 ILE A 10 -2.433 -6.717 -1.302 1.00 21.24 H new ATOM 0 HD11 ILE A 10 -5.326 -6.225 1.739 1.00 41.44 H new ATOM 0 HD12 ILE A 10 -6.192 -6.440 0.199 1.00 41.44 H new ATOM 0 HD13 ILE A 10 -4.701 -7.357 0.517 1.00 41.44 H new ATOM 166 N SER A 11 -4.171 -4.142 -4.335 1.00 35.11 N ATOM 167 CA SER A 11 -4.074 -4.260 -5.796 1.00 25.14 C ATOM 168 C SER A 11 -3.019 -3.299 -6.363 1.00 23.11 C ATOM 169 O SER A 11 -2.223 -3.671 -7.222 1.00 12.21 O ATOM 170 CB SER A 11 -5.437 -3.981 -6.453 1.00 5.04 C ATOM 171 OG SER A 11 -6.427 -4.890 -5.993 1.00 20.41 O ATOM 0 H SER A 11 -5.080 -3.823 -4.001 1.00 35.11 H new ATOM 0 HA SER A 11 -3.769 -5.281 -6.024 1.00 25.14 H new ATOM 0 HB2 SER A 11 -5.747 -2.960 -6.232 1.00 5.04 H new ATOM 0 HB3 SER A 11 -5.344 -4.059 -7.536 1.00 5.04 H new ATOM 0 HG SER A 11 -6.650 -4.686 -5.061 1.00 20.41 H new ATOM 177 N ILE A 12 -3.017 -2.062 -5.862 1.00 15.40 N ATOM 178 CA ILE A 12 -2.029 -1.049 -6.265 1.00 14.33 C ATOM 179 C ILE A 12 -0.597 -1.499 -5.923 1.00 1.41 C ATOM 180 O ILE A 12 0.328 -1.344 -6.726 1.00 53.24 O ATOM 181 CB ILE A 12 -2.322 0.306 -5.567 1.00 31.55 C ATOM 182 CG1 ILE A 12 -3.743 0.784 -5.911 1.00 24.40 C ATOM 183 CG2 ILE A 12 -1.284 1.359 -5.960 1.00 3.12 C ATOM 184 CD1 ILE A 12 -4.217 1.957 -5.074 1.00 60.12 C ATOM 0 H ILE A 12 -3.692 -1.733 -5.172 1.00 15.40 H new ATOM 0 HA ILE A 12 -2.109 -0.926 -7.345 1.00 14.33 H new ATOM 0 HB ILE A 12 -2.256 0.160 -4.489 1.00 31.55 H new ATOM 0 HG12 ILE A 12 -3.776 1.065 -6.964 1.00 24.40 H new ATOM 0 HG13 ILE A 12 -4.437 -0.047 -5.780 1.00 24.40 H new ATOM 0 HG21 ILE A 12 -1.511 2.299 -5.458 1.00 3.12 H new ATOM 0 HG22 ILE A 12 -0.291 1.020 -5.663 1.00 3.12 H new ATOM 0 HG23 ILE A 12 -1.309 1.509 -7.039 1.00 3.12 H new ATOM 0 HD11 ILE A 12 -5.227 2.235 -5.376 1.00 60.12 H new ATOM 0 HD12 ILE A 12 -4.218 1.676 -4.021 1.00 60.12 H new ATOM 0 HD13 ILE A 12 -3.547 2.804 -5.223 1.00 60.12 H new ATOM 196 N VAL A 13 -0.429 -2.057 -4.724 1.00 21.22 N ATOM 197 CA VAL A 13 0.865 -2.582 -4.280 1.00 71.24 C ATOM 198 C VAL A 13 1.392 -3.668 -5.242 1.00 4.42 C ATOM 199 O VAL A 13 2.528 -3.592 -5.728 1.00 24.14 O ATOM 200 CB VAL A 13 0.767 -3.156 -2.840 1.00 22.22 C ATOM 201 CG1 VAL A 13 2.102 -3.726 -2.374 1.00 11.13 C ATOM 202 CG2 VAL A 13 0.271 -2.090 -1.865 1.00 15.24 C ATOM 0 H VAL A 13 -1.177 -2.158 -4.038 1.00 21.22 H new ATOM 0 HA VAL A 13 1.569 -1.750 -4.281 1.00 71.24 H new ATOM 0 HB VAL A 13 0.045 -3.972 -2.860 1.00 22.22 H new ATOM 0 HG11 VAL A 13 1.997 -4.119 -1.363 1.00 11.13 H new ATOM 0 HG12 VAL A 13 2.409 -4.528 -3.045 1.00 11.13 H new ATOM 0 HG13 VAL A 13 2.856 -2.939 -2.381 1.00 11.13 H new ATOM 0 HG21 VAL A 13 0.210 -2.514 -0.863 1.00 15.24 H new ATOM 0 HG22 VAL A 13 0.964 -1.249 -1.862 1.00 15.24 H new ATOM 0 HG23 VAL A 13 -0.716 -1.745 -2.174 1.00 15.24 H new ATOM 212 N GLN A 14 0.559 -4.670 -5.527 1.00 54.35 N ATOM 213 CA GLN A 14 0.930 -5.740 -6.464 1.00 53.42 C ATOM 214 C GLN A 14 1.149 -5.194 -7.887 1.00 12.40 C ATOM 215 O GLN A 14 2.090 -5.590 -8.574 1.00 54.14 O ATOM 216 CB GLN A 14 -0.142 -6.841 -6.478 1.00 41.23 C ATOM 217 CG GLN A 14 0.119 -7.936 -7.510 1.00 34.24 C ATOM 218 CD GLN A 14 -0.852 -9.100 -7.409 1.00 1.30 C ATOM 219 OE1 GLN A 14 -1.920 -9.091 -8.011 1.00 72.25 O ATOM 220 NE2 GLN A 14 -0.481 -10.117 -6.660 1.00 33.12 N ATOM 0 H GLN A 14 -0.374 -4.766 -5.126 1.00 54.35 H new ATOM 0 HA GLN A 14 1.872 -6.167 -6.119 1.00 53.42 H new ATOM 0 HB2 GLN A 14 -0.199 -7.293 -5.488 1.00 41.23 H new ATOM 0 HB3 GLN A 14 -1.113 -6.388 -6.679 1.00 41.23 H new ATOM 0 HG2 GLN A 14 0.057 -7.506 -8.510 1.00 34.24 H new ATOM 0 HG3 GLN A 14 1.136 -8.308 -7.386 1.00 34.24 H new ATOM 0 HE21 GLN A 14 0.415 -10.092 -6.173 1.00 33.12 H new ATOM 0 HE22 GLN A 14 -1.089 -10.931 -6.567 1.00 33.12 H new ATOM 229 N GLU A 15 0.283 -4.279 -8.315 1.00 75.31 N ATOM 230 CA GLU A 15 0.391 -3.660 -9.644 1.00 45.54 C ATOM 231 C GLU A 15 1.803 -3.102 -9.883 1.00 64.33 C ATOM 232 O GLU A 15 2.454 -3.437 -10.875 1.00 72.23 O ATOM 233 CB GLU A 15 -0.674 -2.553 -9.785 1.00 13.05 C ATOM 234 CG GLU A 15 -0.674 -1.810 -11.127 1.00 24.41 C ATOM 235 CD GLU A 15 0.326 -0.660 -11.188 1.00 50.24 C ATOM 236 OE1 GLU A 15 0.274 0.225 -10.310 1.00 74.44 O ATOM 237 OE2 GLU A 15 1.172 -0.638 -12.106 1.00 34.21 O ATOM 0 H GLU A 15 -0.506 -3.945 -7.762 1.00 75.31 H new ATOM 0 HA GLU A 15 0.212 -4.422 -10.403 1.00 45.54 H new ATOM 0 HB2 GLU A 15 -1.658 -2.997 -9.634 1.00 13.05 H new ATOM 0 HB3 GLU A 15 -0.527 -1.826 -8.986 1.00 13.05 H new ATOM 0 HG2 GLU A 15 -0.450 -2.518 -11.925 1.00 24.41 H new ATOM 0 HG3 GLU A 15 -1.674 -1.421 -11.318 1.00 24.41 H new ATOM 244 N ARG A 16 2.280 -2.272 -8.958 1.00 34.14 N ATOM 245 CA ARG A 16 3.629 -1.701 -9.050 1.00 25.43 C ATOM 246 C ARG A 16 4.712 -2.795 -9.140 1.00 54.51 C ATOM 247 O ARG A 16 5.602 -2.728 -9.992 1.00 33.25 O ATOM 248 CB ARG A 16 3.901 -0.779 -7.851 1.00 13.32 C ATOM 249 CG ARG A 16 3.012 0.468 -7.800 1.00 73.23 C ATOM 250 CD ARG A 16 3.361 1.483 -8.893 1.00 44.22 C ATOM 251 NE ARG A 16 3.095 0.972 -10.238 1.00 11.22 N ATOM 252 CZ ARG A 16 3.899 1.112 -11.259 1.00 73.34 C ATOM 253 NH1 ARG A 16 5.018 1.748 -11.135 1.00 33.30 N ATOM 254 NH2 ARG A 16 3.578 0.605 -12.403 1.00 73.10 N ATOM 0 H ARG A 16 1.755 -1.978 -8.135 1.00 34.14 H new ATOM 0 HA ARG A 16 3.676 -1.117 -9.969 1.00 25.43 H new ATOM 0 HB2 ARG A 16 3.762 -1.348 -6.932 1.00 13.32 H new ATOM 0 HB3 ARG A 16 4.945 -0.466 -7.878 1.00 13.32 H new ATOM 0 HG2 ARG A 16 1.969 0.171 -7.905 1.00 73.23 H new ATOM 0 HG3 ARG A 16 3.112 0.942 -6.823 1.00 73.23 H new ATOM 0 HD2 ARG A 16 2.786 2.395 -8.734 1.00 44.22 H new ATOM 0 HD3 ARG A 16 4.414 1.752 -8.812 1.00 44.22 H new ATOM 0 HE ARG A 16 2.220 0.471 -10.390 1.00 11.22 H new ATOM 0 HH11 ARG A 16 5.281 2.146 -10.234 1.00 33.30 H new ATOM 0 HH12 ARG A 16 5.638 1.851 -11.939 1.00 33.30 H new ATOM 0 HH21 ARG A 16 2.699 0.097 -12.507 1.00 73.10 H new ATOM 0 HH22 ARG A 16 4.203 0.712 -13.202 1.00 73.10 H new ATOM 268 N GLN A 17 4.623 -3.808 -8.275 1.00 51.44 N ATOM 269 CA GLN A 17 5.618 -4.898 -8.254 1.00 64.33 C ATOM 270 C GLN A 17 5.602 -5.723 -9.553 1.00 24.43 C ATOM 271 O GLN A 17 6.647 -6.152 -10.045 1.00 61.41 O ATOM 272 CB GLN A 17 5.362 -5.829 -7.061 1.00 20.53 C ATOM 273 CG GLN A 17 5.301 -5.109 -5.723 1.00 34.13 C ATOM 274 CD GLN A 17 4.965 -6.037 -4.572 1.00 23.14 C ATOM 275 OE1 GLN A 17 5.357 -7.197 -4.547 1.00 52.53 O ATOM 276 NE2 GLN A 17 4.214 -5.536 -3.617 1.00 53.21 N ATOM 0 H GLN A 17 3.880 -3.902 -7.582 1.00 51.44 H new ATOM 0 HA GLN A 17 6.599 -4.432 -8.161 1.00 64.33 H new ATOM 0 HB2 GLN A 17 4.423 -6.359 -7.221 1.00 20.53 H new ATOM 0 HB3 GLN A 17 6.150 -6.581 -7.023 1.00 20.53 H new ATOM 0 HG2 GLN A 17 6.261 -4.630 -5.529 1.00 34.13 H new ATOM 0 HG3 GLN A 17 4.554 -4.317 -5.775 1.00 34.13 H new ATOM 0 HE21 GLN A 17 3.904 -4.566 -3.668 1.00 53.21 H new ATOM 0 HE22 GLN A 17 3.941 -6.118 -2.825 1.00 53.21 H new ATOM 285 N ASN A 18 4.410 -5.950 -10.099 1.00 33.44 N ATOM 286 CA ASN A 18 4.246 -6.775 -11.302 1.00 52.43 C ATOM 287 C ASN A 18 4.628 -6.018 -12.584 1.00 60.41 C ATOM 288 O ASN A 18 5.264 -6.578 -13.479 1.00 71.21 O ATOM 289 CB ASN A 18 2.801 -7.280 -11.399 1.00 72.51 C ATOM 290 CG ASN A 18 2.456 -8.254 -10.286 1.00 64.11 C ATOM 291 OD1 ASN A 18 3.018 -8.204 -9.200 1.00 1.41 O ATOM 292 ND2 ASN A 18 1.525 -9.150 -10.543 1.00 24.54 N ATOM 0 H ASN A 18 3.537 -5.574 -9.728 1.00 33.44 H new ATOM 0 HA ASN A 18 4.926 -7.622 -11.211 1.00 52.43 H new ATOM 0 HB2 ASN A 18 2.118 -6.431 -11.361 1.00 72.51 H new ATOM 0 HB3 ASN A 18 2.652 -7.766 -12.363 1.00 72.51 H new ATOM 0 HD21 ASN A 18 1.256 -9.825 -9.828 1.00 24.54 H new ATOM 0 HD22 ASN A 18 1.073 -9.168 -11.457 1.00 24.54 H new ATOM 299 N MET A 19 4.238 -4.749 -12.670 1.00 70.51 N ATOM 300 CA MET A 19 4.493 -3.942 -13.870 1.00 14.34 C ATOM 301 C MET A 19 5.959 -3.491 -13.965 1.00 2.22 C ATOM 302 O MET A 19 6.574 -3.578 -15.029 1.00 50.43 O ATOM 303 CB MET A 19 3.560 -2.724 -13.903 1.00 30.43 C ATOM 304 CG MET A 19 2.071 -3.069 -13.959 1.00 14.32 C ATOM 305 SD MET A 19 1.543 -3.788 -15.535 1.00 31.34 S ATOM 306 CE MET A 19 2.012 -5.514 -15.355 1.00 23.13 C ATOM 0 H MET A 19 3.745 -4.254 -11.927 1.00 70.51 H new ATOM 0 HA MET A 19 4.290 -4.575 -14.734 1.00 14.34 H new ATOM 0 HB2 MET A 19 3.746 -2.115 -13.018 1.00 30.43 H new ATOM 0 HB3 MET A 19 3.812 -2.113 -14.770 1.00 30.43 H new ATOM 0 HG2 MET A 19 1.840 -3.769 -13.156 1.00 14.32 H new ATOM 0 HG3 MET A 19 1.491 -2.165 -13.771 1.00 14.32 H new ATOM 0 HE1 MET A 19 2.848 -5.735 -16.019 1.00 23.13 H new ATOM 0 HE2 MET A 19 2.308 -5.705 -14.323 1.00 23.13 H new ATOM 0 HE3 MET A 19 1.165 -6.150 -15.613 1.00 23.13 H new ATOM 316 N ASP A 20 6.518 -3.005 -12.857 1.00 24.45 N ATOM 317 CA ASP A 20 7.920 -2.568 -12.839 1.00 41.01 C ATOM 318 C ASP A 20 8.859 -3.773 -12.646 1.00 43.32 C ATOM 319 O ASP A 20 10.019 -3.744 -13.059 1.00 61.31 O ATOM 320 CB ASP A 20 8.136 -1.528 -11.727 1.00 11.04 C ATOM 321 CG ASP A 20 9.371 -0.672 -11.962 1.00 52.15 C ATOM 322 OD1 ASP A 20 10.498 -1.170 -11.770 1.00 43.24 O ATOM 323 OD2 ASP A 20 9.224 0.508 -12.344 1.00 5.12 O ATOM 0 H ASP A 20 6.030 -2.903 -11.967 1.00 24.45 H new ATOM 0 HA ASP A 20 8.154 -2.105 -13.798 1.00 41.01 H new ATOM 0 HB2 ASP A 20 7.259 -0.884 -11.661 1.00 11.04 H new ATOM 0 HB3 ASP A 20 8.229 -2.039 -10.769 1.00 11.04 H new ATOM 328 N ASP A 21 8.334 -4.828 -12.017 1.00 44.32 N ATOM 329 CA ASP A 21 9.065 -6.083 -11.792 1.00 24.42 C ATOM 330 C ASP A 21 10.238 -5.900 -10.809 1.00 74.11 C ATOM 331 O ASP A 21 11.275 -5.328 -11.147 1.00 40.12 O ATOM 332 CB ASP A 21 9.545 -6.685 -13.123 1.00 42.22 C ATOM 333 CG ASP A 21 10.083 -8.095 -12.956 1.00 11.04 C ATOM 334 OD1 ASP A 21 9.283 -9.004 -12.633 1.00 5.54 O ATOM 335 OD2 ASP A 21 11.298 -8.311 -13.144 1.00 33.35 O ATOM 0 H ASP A 21 7.384 -4.838 -11.646 1.00 44.32 H new ATOM 0 HA ASP A 21 8.370 -6.785 -11.332 1.00 24.42 H new ATOM 0 HB2 ASP A 21 8.719 -6.695 -13.834 1.00 42.22 H new ATOM 0 HB3 ASP A 21 10.322 -6.050 -13.547 1.00 42.22 H new ATOM 340 N GLY A 22 10.049 -6.382 -9.579 1.00 52.24 N ATOM 341 CA GLY A 22 11.101 -6.322 -8.567 1.00 4.11 C ATOM 342 C GLY A 22 11.065 -5.056 -7.710 1.00 43.41 C ATOM 343 O GLY A 22 11.447 -5.083 -6.536 1.00 32.13 O ATOM 0 H GLY A 22 9.182 -6.816 -9.262 1.00 52.24 H new ATOM 0 HA2 GLY A 22 11.015 -7.192 -7.916 1.00 4.11 H new ATOM 0 HA3 GLY A 22 12.071 -6.387 -9.061 1.00 4.11 H new ATOM 347 N ALA A 23 10.607 -3.951 -8.293 1.00 13.11 N ATOM 348 CA ALA A 23 10.588 -2.651 -7.606 1.00 2.10 C ATOM 349 C ALA A 23 9.701 -2.648 -6.344 1.00 41.11 C ATOM 350 O ALA A 23 8.615 -3.237 -6.327 1.00 45.02 O ATOM 351 CB ALA A 23 10.120 -1.566 -8.566 1.00 74.20 C ATOM 0 H ALA A 23 10.241 -3.925 -9.245 1.00 13.11 H new ATOM 0 HA ALA A 23 11.608 -2.452 -7.278 1.00 2.10 H new ATOM 0 HB1 ALA A 23 10.108 -0.605 -8.051 1.00 74.20 H new ATOM 0 HB2 ALA A 23 10.801 -1.514 -9.416 1.00 74.20 H new ATOM 0 HB3 ALA A 23 9.116 -1.801 -8.919 1.00 74.20 H new ATOM 357 N PRO A 24 10.160 -1.979 -5.265 1.00 64.32 N ATOM 358 CA PRO A 24 9.360 -1.783 -4.047 1.00 31.14 C ATOM 359 C PRO A 24 8.348 -0.628 -4.189 1.00 71.31 C ATOM 360 O PRO A 24 8.613 0.371 -4.863 1.00 5.25 O ATOM 361 CB PRO A 24 10.423 -1.455 -2.996 1.00 11.32 C ATOM 362 CG PRO A 24 11.500 -0.757 -3.762 1.00 3.22 C ATOM 363 CD PRO A 24 11.502 -1.369 -5.144 1.00 53.13 C ATOM 0 HA PRO A 24 8.750 -2.652 -3.802 1.00 31.14 H new ATOM 0 HB2 PRO A 24 10.020 -0.819 -2.208 1.00 11.32 H new ATOM 0 HB3 PRO A 24 10.799 -2.358 -2.515 1.00 11.32 H new ATOM 0 HG2 PRO A 24 11.309 0.315 -3.812 1.00 3.22 H new ATOM 0 HG3 PRO A 24 12.468 -0.887 -3.278 1.00 3.22 H new ATOM 0 HD2 PRO A 24 11.669 -0.616 -5.914 1.00 53.13 H new ATOM 0 HD3 PRO A 24 12.291 -2.114 -5.250 1.00 53.13 H new ATOM 371 N VAL A 25 7.191 -0.764 -3.548 1.00 23.22 N ATOM 372 CA VAL A 25 6.113 0.221 -3.672 1.00 72.11 C ATOM 373 C VAL A 25 6.278 1.386 -2.681 1.00 30.54 C ATOM 374 O VAL A 25 6.635 1.185 -1.516 1.00 1.24 O ATOM 375 CB VAL A 25 4.732 -0.443 -3.453 1.00 42.34 C ATOM 376 CG1 VAL A 25 3.600 0.532 -3.762 1.00 52.24 C ATOM 377 CG2 VAL A 25 4.609 -1.712 -4.296 1.00 34.55 C ATOM 0 H VAL A 25 6.972 -1.549 -2.934 1.00 23.22 H new ATOM 0 HA VAL A 25 6.170 0.621 -4.684 1.00 72.11 H new ATOM 0 HB VAL A 25 4.650 -0.722 -2.402 1.00 42.34 H new ATOM 0 HG11 VAL A 25 2.641 0.040 -3.600 1.00 52.24 H new ATOM 0 HG12 VAL A 25 3.678 1.399 -3.107 1.00 52.24 H new ATOM 0 HG13 VAL A 25 3.671 0.855 -4.801 1.00 52.24 H new ATOM 0 HG21 VAL A 25 3.632 -2.166 -4.130 1.00 34.55 H new ATOM 0 HG22 VAL A 25 4.717 -1.460 -5.351 1.00 34.55 H new ATOM 0 HG23 VAL A 25 5.390 -2.416 -4.009 1.00 34.55 H new ATOM 387 N LYS A 26 6.016 2.602 -3.160 1.00 43.22 N ATOM 388 CA LYS A 26 6.101 3.808 -2.331 1.00 34.25 C ATOM 389 C LYS A 26 4.708 4.227 -1.838 1.00 12.32 C ATOM 390 O LYS A 26 3.715 4.090 -2.559 1.00 12.23 O ATOM 391 CB LYS A 26 6.728 4.975 -3.122 1.00 13.25 C ATOM 392 CG LYS A 26 8.158 4.738 -3.622 1.00 45.13 C ATOM 393 CD LYS A 26 8.228 3.657 -4.701 1.00 11.25 C ATOM 394 CE LYS A 26 9.596 3.604 -5.366 1.00 2.11 C ATOM 395 NZ LYS A 26 9.876 4.837 -6.153 1.00 45.31 N ATOM 0 H LYS A 26 5.741 2.780 -4.126 1.00 43.22 H new ATOM 0 HA LYS A 26 6.733 3.574 -1.474 1.00 34.25 H new ATOM 0 HB2 LYS A 26 6.093 5.192 -3.980 1.00 13.25 H new ATOM 0 HB3 LYS A 26 6.725 5.863 -2.490 1.00 13.25 H new ATOM 0 HG2 LYS A 26 8.560 5.670 -4.019 1.00 45.13 H new ATOM 0 HG3 LYS A 26 8.790 4.450 -2.782 1.00 45.13 H new ATOM 0 HD2 LYS A 26 8.002 2.687 -4.258 1.00 11.25 H new ATOM 0 HD3 LYS A 26 7.465 3.848 -5.456 1.00 11.25 H new ATOM 0 HE2 LYS A 26 10.366 3.476 -4.605 1.00 2.11 H new ATOM 0 HE3 LYS A 26 9.648 2.735 -6.021 1.00 2.11 H new ATOM 0 HZ1 LYS A 26 10.661 4.658 -6.811 1.00 45.31 H new ATOM 0 HZ2 LYS A 26 9.027 5.106 -6.691 1.00 45.31 H new ATOM 0 HZ3 LYS A 26 10.136 5.610 -5.507 1.00 45.31 H new ATOM 409 N THR A 27 4.638 4.753 -0.618 1.00 42.44 N ATOM 410 CA THR A 27 3.372 5.253 -0.064 1.00 63.33 C ATOM 411 C THR A 27 2.761 6.334 -0.970 1.00 64.41 C ATOM 412 O THR A 27 1.540 6.451 -1.078 1.00 64.32 O ATOM 413 CB THR A 27 3.568 5.829 1.361 1.00 41.35 C ATOM 414 OG1 THR A 27 4.163 4.838 2.213 1.00 3.11 O ATOM 415 CG2 THR A 27 2.242 6.287 1.968 1.00 52.31 C ATOM 0 H THR A 27 5.438 4.846 0.008 1.00 42.44 H new ATOM 0 HA THR A 27 2.690 4.404 -0.010 1.00 63.33 H new ATOM 0 HB THR A 27 4.226 6.694 1.281 1.00 41.35 H new ATOM 0 HG1 THR A 27 4.285 5.210 3.111 1.00 3.11 H new ATOM 0 HG21 THR A 27 2.418 6.685 2.967 1.00 52.31 H new ATOM 0 HG22 THR A 27 1.803 7.063 1.340 1.00 52.31 H new ATOM 0 HG23 THR A 27 1.558 5.440 2.030 1.00 52.31 H new ATOM 423 N ARG A 28 3.625 7.111 -1.627 1.00 60.12 N ATOM 424 CA ARG A 28 3.190 8.133 -2.590 1.00 64.51 C ATOM 425 C ARG A 28 2.331 7.536 -3.723 1.00 41.20 C ATOM 426 O ARG A 28 1.189 7.953 -3.925 1.00 74.13 O ATOM 427 CB ARG A 28 4.409 8.860 -3.179 1.00 53.21 C ATOM 428 CG ARG A 28 5.041 9.868 -2.220 1.00 3.24 C ATOM 429 CD ARG A 28 4.104 11.043 -1.968 1.00 71.12 C ATOM 430 NE ARG A 28 4.610 11.974 -0.965 1.00 42.11 N ATOM 431 CZ ARG A 28 3.988 13.068 -0.610 1.00 53.23 C ATOM 432 NH1 ARG A 28 2.883 13.417 -1.195 1.00 41.43 N ATOM 433 NH2 ARG A 28 4.473 13.820 0.320 1.00 32.43 N ATOM 0 H ARG A 28 4.637 7.053 -1.511 1.00 60.12 H new ATOM 0 HA ARG A 28 2.568 8.846 -2.049 1.00 64.51 H new ATOM 0 HB2 ARG A 28 5.159 8.122 -3.464 1.00 53.21 H new ATOM 0 HB3 ARG A 28 4.108 9.377 -4.090 1.00 53.21 H new ATOM 0 HG2 ARG A 28 5.278 9.378 -1.276 1.00 3.24 H new ATOM 0 HG3 ARG A 28 5.981 10.231 -2.635 1.00 3.24 H new ATOM 0 HD2 ARG A 28 3.943 11.579 -2.904 1.00 71.12 H new ATOM 0 HD3 ARG A 28 3.134 10.664 -1.647 1.00 71.12 H new ATOM 0 HE ARG A 28 5.500 11.759 -0.515 1.00 42.11 H new ATOM 0 HH11 ARG A 28 2.494 12.836 -1.938 1.00 41.43 H new ATOM 0 HH12 ARG A 28 2.404 14.272 -0.912 1.00 41.43 H new ATOM 0 HH21 ARG A 28 5.345 13.562 0.782 1.00 32.43 H new ATOM 0 HH22 ARG A 28 3.984 14.672 0.593 1.00 32.43 H new ATOM 447 N ASP A 29 2.878 6.560 -4.455 1.00 44.41 N ATOM 448 CA ASP A 29 2.149 5.927 -5.565 1.00 15.42 C ATOM 449 C ASP A 29 0.785 5.379 -5.111 1.00 14.31 C ATOM 450 O ASP A 29 -0.221 5.543 -5.802 1.00 22.11 O ATOM 451 CB ASP A 29 2.986 4.805 -6.186 1.00 64.40 C ATOM 452 CG ASP A 29 4.272 5.330 -6.792 1.00 64.31 C ATOM 453 OD1 ASP A 29 4.205 5.997 -7.848 1.00 25.44 O ATOM 454 OD2 ASP A 29 5.350 5.097 -6.210 1.00 41.04 O ATOM 0 H ASP A 29 3.817 6.191 -4.302 1.00 44.41 H new ATOM 0 HA ASP A 29 1.968 6.695 -6.316 1.00 15.42 H new ATOM 0 HB2 ASP A 29 3.220 4.062 -5.424 1.00 64.40 H new ATOM 0 HB3 ASP A 29 2.402 4.299 -6.955 1.00 64.40 H new ATOM 459 N ILE A 30 0.762 4.743 -3.942 1.00 63.22 N ATOM 460 CA ILE A 30 -0.484 4.228 -3.372 1.00 71.21 C ATOM 461 C ILE A 30 -1.468 5.367 -3.057 1.00 53.02 C ATOM 462 O ILE A 30 -2.658 5.270 -3.350 1.00 70.42 O ATOM 463 CB ILE A 30 -0.221 3.416 -2.079 1.00 42.14 C ATOM 464 CG1 ILE A 30 0.801 2.298 -2.344 1.00 63.50 C ATOM 465 CG2 ILE A 30 -1.528 2.838 -1.530 1.00 70.34 C ATOM 466 CD1 ILE A 30 1.176 1.500 -1.108 1.00 42.24 C ATOM 0 H ILE A 30 1.589 4.571 -3.371 1.00 63.22 H new ATOM 0 HA ILE A 30 -0.924 3.572 -4.123 1.00 71.21 H new ATOM 0 HB ILE A 30 0.195 4.088 -1.328 1.00 42.14 H new ATOM 0 HG12 ILE A 30 0.395 1.619 -3.093 1.00 63.50 H new ATOM 0 HG13 ILE A 30 1.704 2.738 -2.768 1.00 63.50 H new ATOM 0 HG21 ILE A 30 -1.322 2.271 -0.622 1.00 70.34 H new ATOM 0 HG22 ILE A 30 -2.218 3.651 -1.302 1.00 70.34 H new ATOM 0 HG23 ILE A 30 -1.976 2.180 -2.275 1.00 70.34 H new ATOM 0 HD11 ILE A 30 1.900 0.731 -1.377 1.00 42.24 H new ATOM 0 HD12 ILE A 30 1.613 2.166 -0.364 1.00 42.24 H new ATOM 0 HD13 ILE A 30 0.284 1.029 -0.694 1.00 42.24 H new ATOM 478 N ALA A 31 -0.955 6.449 -2.469 1.00 72.33 N ATOM 479 CA ALA A 31 -1.783 7.605 -2.097 1.00 74.43 C ATOM 480 C ALA A 31 -2.475 8.233 -3.313 1.00 51.35 C ATOM 481 O ALA A 31 -3.684 8.474 -3.296 1.00 63.14 O ATOM 482 CB ALA A 31 -0.939 8.651 -1.376 1.00 61.54 C ATOM 0 H ALA A 31 0.033 6.552 -2.238 1.00 72.33 H new ATOM 0 HA ALA A 31 -2.562 7.243 -1.426 1.00 74.43 H new ATOM 0 HB1 ALA A 31 -1.565 9.501 -1.107 1.00 61.54 H new ATOM 0 HB2 ALA A 31 -0.512 8.215 -0.473 1.00 61.54 H new ATOM 0 HB3 ALA A 31 -0.136 8.986 -2.032 1.00 61.54 H new ATOM 488 N ASP A 32 -1.699 8.498 -4.366 1.00 2.53 N ATOM 489 CA ASP A 32 -2.241 9.077 -5.600 1.00 23.21 C ATOM 490 C ASP A 32 -3.216 8.119 -6.308 1.00 51.52 C ATOM 491 O ASP A 32 -4.276 8.533 -6.779 1.00 0.54 O ATOM 492 CB ASP A 32 -1.101 9.472 -6.545 1.00 32.44 C ATOM 493 CG ASP A 32 -0.272 10.616 -5.991 1.00 12.21 C ATOM 494 OD1 ASP A 32 -0.808 11.740 -5.887 1.00 35.43 O ATOM 495 OD2 ASP A 32 0.910 10.401 -5.659 1.00 5.44 O ATOM 0 H ASP A 32 -0.695 8.322 -4.390 1.00 2.53 H new ATOM 0 HA ASP A 32 -2.804 9.968 -5.324 1.00 23.21 H new ATOM 0 HB2 ASP A 32 -0.458 8.609 -6.717 1.00 32.44 H new ATOM 0 HB3 ASP A 32 -1.515 9.759 -7.512 1.00 32.44 H new ATOM 500 N ALA A 33 -2.858 6.837 -6.375 1.00 3.41 N ATOM 501 CA ALA A 33 -3.697 5.829 -7.041 1.00 3.11 C ATOM 502 C ALA A 33 -4.994 5.536 -6.260 1.00 72.03 C ATOM 503 O ALA A 33 -6.043 5.281 -6.854 1.00 53.54 O ATOM 504 CB ALA A 33 -2.901 4.548 -7.247 1.00 23.13 C ATOM 0 H ALA A 33 -1.994 6.468 -5.978 1.00 3.41 H new ATOM 0 HA ALA A 33 -3.993 6.235 -8.008 1.00 3.11 H new ATOM 0 HB1 ALA A 33 -3.528 3.805 -7.741 1.00 23.13 H new ATOM 0 HB2 ALA A 33 -2.029 4.757 -7.867 1.00 23.13 H new ATOM 0 HB3 ALA A 33 -2.575 4.163 -6.281 1.00 23.13 H new ATOM 510 N ALA A 34 -4.915 5.564 -4.929 1.00 53.43 N ATOM 511 CA ALA A 34 -6.085 5.310 -4.075 1.00 43.41 C ATOM 512 C ALA A 34 -6.887 6.595 -3.799 1.00 62.33 C ATOM 513 O ALA A 34 -8.081 6.539 -3.501 1.00 21.15 O ATOM 514 CB ALA A 34 -5.650 4.668 -2.761 1.00 43.11 C ATOM 0 H ALA A 34 -4.056 5.759 -4.416 1.00 53.43 H new ATOM 0 HA ALA A 34 -6.740 4.624 -4.613 1.00 43.41 H new ATOM 0 HB1 ALA A 34 -6.526 4.485 -2.138 1.00 43.11 H new ATOM 0 HB2 ALA A 34 -5.147 3.723 -2.967 1.00 43.11 H new ATOM 0 HB3 ALA A 34 -4.966 5.337 -2.238 1.00 43.11 H new ATOM 520 N GLY A 35 -6.227 7.747 -3.897 1.00 5.12 N ATOM 521 CA GLY A 35 -6.883 9.025 -3.627 1.00 53.22 C ATOM 522 C GLY A 35 -7.011 9.326 -2.133 1.00 65.15 C ATOM 523 O GLY A 35 -8.014 9.885 -1.685 1.00 11.13 O ATOM 0 H GLY A 35 -5.244 7.822 -4.160 1.00 5.12 H new ATOM 0 HA2 GLY A 35 -6.319 9.825 -4.106 1.00 53.22 H new ATOM 0 HA3 GLY A 35 -7.875 9.020 -4.078 1.00 53.22 H new ATOM 527 N LEU A 36 -5.988 8.955 -1.359 1.00 31.12 N ATOM 528 CA LEU A 36 -6.004 9.142 0.101 1.00 64.15 C ATOM 529 C LEU A 36 -4.805 9.981 0.582 1.00 55.53 C ATOM 530 O LEU A 36 -3.914 10.321 -0.200 1.00 15.21 O ATOM 531 CB LEU A 36 -5.987 7.780 0.810 1.00 12.03 C ATOM 532 CG LEU A 36 -7.136 6.817 0.452 1.00 32.13 C ATOM 533 CD1 LEU A 36 -6.979 5.492 1.196 1.00 15.32 C ATOM 534 CD2 LEU A 36 -8.495 7.450 0.758 1.00 71.35 C ATOM 0 H LEU A 36 -5.136 8.523 -1.716 1.00 31.12 H new ATOM 0 HA LEU A 36 -6.919 9.679 0.350 1.00 64.15 H new ATOM 0 HB2 LEU A 36 -5.042 7.286 0.583 1.00 12.03 H new ATOM 0 HB3 LEU A 36 -6.006 7.953 1.886 1.00 12.03 H new ATOM 0 HG LEU A 36 -7.089 6.618 -0.619 1.00 32.13 H new ATOM 0 HD11 LEU A 36 -7.800 4.826 0.930 1.00 15.32 H new ATOM 0 HD12 LEU A 36 -6.032 5.029 0.919 1.00 15.32 H new ATOM 0 HD13 LEU A 36 -6.993 5.674 2.271 1.00 15.32 H new ATOM 0 HD21 LEU A 36 -9.289 6.751 0.497 1.00 71.35 H new ATOM 0 HD22 LEU A 36 -8.555 7.687 1.820 1.00 71.35 H new ATOM 0 HD23 LEU A 36 -8.610 8.364 0.175 1.00 71.35 H new ATOM 546 N SER A 37 -4.785 10.302 1.876 1.00 70.21 N ATOM 547 CA SER A 37 -3.674 11.064 2.477 1.00 70.22 C ATOM 548 C SER A 37 -2.537 10.132 2.926 1.00 4.21 C ATOM 549 O SER A 37 -2.791 9.027 3.398 1.00 21.32 O ATOM 550 CB SER A 37 -4.167 11.885 3.678 1.00 41.40 C ATOM 551 OG SER A 37 -5.186 12.798 3.294 1.00 13.03 O ATOM 0 H SER A 37 -5.523 10.049 2.534 1.00 70.21 H new ATOM 0 HA SER A 37 -3.290 11.739 1.712 1.00 70.22 H new ATOM 0 HB2 SER A 37 -4.548 11.214 4.448 1.00 41.40 H new ATOM 0 HB3 SER A 37 -3.332 12.432 4.116 1.00 41.40 H new ATOM 0 HG SER A 37 -5.482 13.306 4.078 1.00 13.03 H new ATOM 557 N ILE A 38 -1.291 10.598 2.796 1.00 52.11 N ATOM 558 CA ILE A 38 -0.100 9.795 3.140 1.00 64.25 C ATOM 559 C ILE A 38 -0.234 9.103 4.512 1.00 41.02 C ATOM 560 O ILE A 38 -0.023 7.894 4.636 1.00 62.41 O ATOM 561 CB ILE A 38 1.178 10.675 3.141 1.00 65.31 C ATOM 562 CG1 ILE A 38 1.409 11.298 1.751 1.00 75.31 C ATOM 563 CG2 ILE A 38 2.403 9.866 3.578 1.00 30.24 C ATOM 564 CD1 ILE A 38 1.605 10.279 0.647 1.00 14.51 C ATOM 0 H ILE A 38 -1.074 11.534 2.453 1.00 52.11 H new ATOM 0 HA ILE A 38 -0.019 9.024 2.374 1.00 64.25 H new ATOM 0 HB ILE A 38 1.031 11.480 3.861 1.00 65.31 H new ATOM 0 HG12 ILE A 38 0.557 11.931 1.501 1.00 75.31 H new ATOM 0 HG13 ILE A 38 2.285 11.945 1.795 1.00 75.31 H new ATOM 0 HG21 ILE A 38 3.284 10.507 3.570 1.00 30.24 H new ATOM 0 HG22 ILE A 38 2.244 9.481 4.585 1.00 30.24 H new ATOM 0 HG23 ILE A 38 2.553 9.034 2.891 1.00 30.24 H new ATOM 0 HD11 ILE A 38 1.762 10.795 -0.300 1.00 14.51 H new ATOM 0 HD12 ILE A 38 2.474 9.661 0.872 1.00 14.51 H new ATOM 0 HD13 ILE A 38 0.720 9.647 0.574 1.00 14.51 H new ATOM 576 N TYR A 39 -0.585 9.884 5.535 1.00 0.03 N ATOM 577 CA TYR A 39 -0.802 9.358 6.889 1.00 34.12 C ATOM 578 C TYR A 39 -1.829 8.210 6.887 1.00 1.14 C ATOM 579 O TYR A 39 -1.538 7.101 7.332 1.00 51.43 O ATOM 580 CB TYR A 39 -1.271 10.493 7.813 1.00 73.13 C ATOM 581 CG TYR A 39 -1.631 10.053 9.221 1.00 22.10 C ATOM 582 CD1 TYR A 39 -0.647 9.687 10.134 1.00 63.24 C ATOM 583 CD2 TYR A 39 -2.960 10.008 9.638 1.00 12.42 C ATOM 584 CE1 TYR A 39 -0.974 9.290 11.416 1.00 42.12 C ATOM 585 CE2 TYR A 39 -3.291 9.613 10.921 1.00 41.21 C ATOM 586 CZ TYR A 39 -2.297 9.255 11.804 1.00 64.10 C ATOM 587 OH TYR A 39 -2.628 8.864 13.082 1.00 55.31 O ATOM 0 H TYR A 39 -0.727 10.891 5.453 1.00 0.03 H new ATOM 0 HA TYR A 39 0.142 8.956 7.258 1.00 34.12 H new ATOM 0 HB2 TYR A 39 -0.484 11.245 7.871 1.00 73.13 H new ATOM 0 HB3 TYR A 39 -2.139 10.974 7.364 1.00 73.13 H new ATOM 0 HD1 TYR A 39 0.390 9.714 9.835 1.00 63.24 H new ATOM 0 HD2 TYR A 39 -3.743 10.286 8.948 1.00 12.42 H new ATOM 0 HE1 TYR A 39 -0.197 9.008 12.111 1.00 42.12 H new ATOM 0 HE2 TYR A 39 -4.326 9.585 11.230 1.00 41.21 H new ATOM 0 HH TYR A 39 -3.601 8.896 13.192 1.00 55.31 H new ATOM 597 N GLN A 40 -3.022 8.493 6.368 1.00 75.31 N ATOM 598 CA GLN A 40 -4.106 7.502 6.280 1.00 1.44 C ATOM 599 C GLN A 40 -3.655 6.229 5.538 1.00 30.40 C ATOM 600 O GLN A 40 -3.857 5.107 6.016 1.00 22.15 O ATOM 601 CB GLN A 40 -5.307 8.131 5.561 1.00 61.41 C ATOM 602 CG GLN A 40 -6.474 7.179 5.331 1.00 31.23 C ATOM 603 CD GLN A 40 -7.582 7.815 4.514 1.00 60.23 C ATOM 604 OE1 GLN A 40 -7.337 8.695 3.695 1.00 70.22 O ATOM 605 NE2 GLN A 40 -8.806 7.381 4.725 1.00 61.41 N ATOM 0 H GLN A 40 -3.269 9.410 5.997 1.00 75.31 H new ATOM 0 HA GLN A 40 -4.387 7.210 7.292 1.00 1.44 H new ATOM 0 HB2 GLN A 40 -5.658 8.982 6.144 1.00 61.41 H new ATOM 0 HB3 GLN A 40 -4.976 8.519 4.598 1.00 61.41 H new ATOM 0 HG2 GLN A 40 -6.116 6.285 4.820 1.00 31.23 H new ATOM 0 HG3 GLN A 40 -6.873 6.858 6.293 1.00 31.23 H new ATOM 0 HE21 GLN A 40 -8.976 6.648 5.413 1.00 61.41 H new ATOM 0 HE22 GLN A 40 -9.585 7.778 4.200 1.00 61.41 H new ATOM 614 N VAL A 41 -3.038 6.420 4.375 1.00 65.40 N ATOM 615 CA VAL A 41 -2.561 5.305 3.554 1.00 65.21 C ATOM 616 C VAL A 41 -1.635 4.375 4.347 1.00 60.43 C ATOM 617 O VAL A 41 -1.859 3.162 4.404 1.00 14.31 O ATOM 618 CB VAL A 41 -1.807 5.810 2.299 1.00 43.13 C ATOM 619 CG1 VAL A 41 -1.214 4.642 1.512 1.00 41.43 C ATOM 620 CG2 VAL A 41 -2.726 6.642 1.413 1.00 71.30 C ATOM 0 H VAL A 41 -2.855 7.341 3.976 1.00 65.40 H new ATOM 0 HA VAL A 41 -3.446 4.749 3.245 1.00 65.21 H new ATOM 0 HB VAL A 41 -0.987 6.446 2.633 1.00 43.13 H new ATOM 0 HG11 VAL A 41 -0.690 5.023 0.636 1.00 41.43 H new ATOM 0 HG12 VAL A 41 -0.514 4.095 2.144 1.00 41.43 H new ATOM 0 HG13 VAL A 41 -2.014 3.974 1.194 1.00 41.43 H new ATOM 0 HG21 VAL A 41 -2.174 6.986 0.538 1.00 71.30 H new ATOM 0 HG22 VAL A 41 -3.572 6.033 1.093 1.00 71.30 H new ATOM 0 HG23 VAL A 41 -3.090 7.503 1.974 1.00 71.30 H new ATOM 630 N ARG A 42 -0.601 4.943 4.968 1.00 2.33 N ATOM 631 CA ARG A 42 0.382 4.133 5.687 1.00 41.21 C ATOM 632 C ARG A 42 -0.241 3.439 6.908 1.00 53.13 C ATOM 633 O ARG A 42 0.221 2.380 7.320 1.00 32.50 O ATOM 634 CB ARG A 42 1.607 4.958 6.104 1.00 73.34 C ATOM 635 CG ARG A 42 1.410 5.844 7.331 1.00 24.01 C ATOM 636 CD ARG A 42 2.751 6.162 7.977 1.00 54.24 C ATOM 637 NE ARG A 42 3.509 4.932 8.204 1.00 4.22 N ATOM 638 CZ ARG A 42 4.774 4.778 7.935 1.00 40.04 C ATOM 639 NH1 ARG A 42 5.500 5.780 7.546 1.00 33.42 N ATOM 640 NH2 ARG A 42 5.305 3.606 8.058 1.00 53.41 N ATOM 0 H ARG A 42 -0.424 5.947 4.988 1.00 2.33 H new ATOM 0 HA ARG A 42 0.719 3.362 4.994 1.00 41.21 H new ATOM 0 HB2 ARG A 42 2.435 4.276 6.298 1.00 73.34 H new ATOM 0 HB3 ARG A 42 1.903 5.588 5.265 1.00 73.34 H new ATOM 0 HG2 ARG A 42 0.910 6.769 7.043 1.00 24.01 H new ATOM 0 HG3 ARG A 42 0.763 5.342 8.050 1.00 24.01 H new ATOM 0 HD2 ARG A 42 3.321 6.835 7.336 1.00 54.24 H new ATOM 0 HD3 ARG A 42 2.593 6.680 8.923 1.00 54.24 H new ATOM 0 HE ARG A 42 3.010 4.136 8.602 1.00 4.22 H new ATOM 0 HH11 ARG A 42 5.082 6.705 7.447 1.00 33.42 H new ATOM 0 HH12 ARG A 42 6.489 5.643 7.339 1.00 33.42 H new ATOM 0 HH21 ARG A 42 4.735 2.817 8.362 1.00 53.41 H new ATOM 0 HH22 ARG A 42 6.294 3.470 7.851 1.00 53.41 H new ATOM 654 N LEU A 43 -1.301 4.027 7.474 1.00 0.32 N ATOM 655 CA LEU A 43 -2.043 3.375 8.562 1.00 32.24 C ATOM 656 C LEU A 43 -2.576 2.016 8.101 1.00 54.41 C ATOM 657 O LEU A 43 -2.405 1.001 8.785 1.00 32.01 O ATOM 658 CB LEU A 43 -3.211 4.251 9.036 1.00 13.05 C ATOM 659 CG LEU A 43 -2.823 5.556 9.746 1.00 53.01 C ATOM 660 CD1 LEU A 43 -4.072 6.334 10.146 1.00 4.15 C ATOM 661 CD2 LEU A 43 -1.945 5.268 10.965 1.00 31.45 C ATOM 0 H LEU A 43 -1.662 4.941 7.202 1.00 0.32 H new ATOM 0 HA LEU A 43 -1.356 3.231 9.396 1.00 32.24 H new ATOM 0 HB2 LEU A 43 -3.828 4.499 8.172 1.00 13.05 H new ATOM 0 HB3 LEU A 43 -3.831 3.662 9.712 1.00 13.05 H new ATOM 0 HG LEU A 43 -2.246 6.169 9.054 1.00 53.01 H new ATOM 0 HD11 LEU A 43 -3.781 7.257 10.648 1.00 4.15 H new ATOM 0 HD12 LEU A 43 -4.652 6.574 9.255 1.00 4.15 H new ATOM 0 HD13 LEU A 43 -4.677 5.729 10.821 1.00 4.15 H new ATOM 0 HD21 LEU A 43 -1.681 6.206 11.453 1.00 31.45 H new ATOM 0 HD22 LEU A 43 -2.491 4.635 11.665 1.00 31.45 H new ATOM 0 HD23 LEU A 43 -1.036 4.757 10.646 1.00 31.45 H new ATOM 673 N TYR A 44 -3.216 2.000 6.933 1.00 50.11 N ATOM 674 CA TYR A 44 -3.710 0.751 6.342 1.00 64.11 C ATOM 675 C TYR A 44 -2.548 -0.176 5.950 1.00 34.03 C ATOM 676 O TYR A 44 -2.663 -1.399 6.045 1.00 3.22 O ATOM 677 CB TYR A 44 -4.597 1.039 5.125 1.00 42.32 C ATOM 678 CG TYR A 44 -5.938 1.656 5.486 1.00 14.21 C ATOM 679 CD1 TYR A 44 -7.034 0.851 5.788 1.00 3.32 C ATOM 680 CD2 TYR A 44 -6.107 3.037 5.535 1.00 32.42 C ATOM 681 CE1 TYR A 44 -8.254 1.404 6.126 1.00 32.12 C ATOM 682 CE2 TYR A 44 -7.326 3.594 5.872 1.00 22.41 C ATOM 683 CZ TYR A 44 -8.395 2.776 6.167 1.00 33.52 C ATOM 684 OH TYR A 44 -9.607 3.331 6.507 1.00 53.11 O ATOM 0 H TYR A 44 -3.406 2.833 6.376 1.00 50.11 H new ATOM 0 HA TYR A 44 -4.310 0.242 7.096 1.00 64.11 H new ATOM 0 HB2 TYR A 44 -4.067 1.710 4.450 1.00 42.32 H new ATOM 0 HB3 TYR A 44 -4.768 0.110 4.582 1.00 42.32 H new ATOM 0 HD1 TYR A 44 -6.928 -0.223 5.757 1.00 3.32 H new ATOM 0 HD2 TYR A 44 -5.272 3.683 5.306 1.00 32.42 H new ATOM 0 HE1 TYR A 44 -9.094 0.765 6.357 1.00 32.12 H new ATOM 0 HE2 TYR A 44 -7.441 4.667 5.904 1.00 22.41 H new ATOM 0 HH TYR A 44 -9.536 4.308 6.489 1.00 53.11 H new ATOM 694 N LEU A 45 -1.431 0.408 5.519 1.00 31.12 N ATOM 695 CA LEU A 45 -0.233 -0.372 5.180 1.00 4.34 C ATOM 696 C LEU A 45 0.317 -1.105 6.415 1.00 51.22 C ATOM 697 O LEU A 45 0.640 -2.297 6.349 1.00 22.44 O ATOM 698 CB LEU A 45 0.847 0.533 4.566 1.00 44.33 C ATOM 699 CG LEU A 45 0.444 1.243 3.258 1.00 52.31 C ATOM 700 CD1 LEU A 45 1.584 2.119 2.738 1.00 51.02 C ATOM 701 CD2 LEU A 45 0.015 0.230 2.201 1.00 25.40 C ATOM 0 H LEU A 45 -1.327 1.415 5.395 1.00 31.12 H new ATOM 0 HA LEU A 45 -0.518 -1.121 4.441 1.00 4.34 H new ATOM 0 HB2 LEU A 45 1.125 1.289 5.300 1.00 44.33 H new ATOM 0 HB3 LEU A 45 1.736 -0.068 4.375 1.00 44.33 H new ATOM 0 HG LEU A 45 -0.407 1.889 3.474 1.00 52.31 H new ATOM 0 HD11 LEU A 45 1.274 2.609 1.815 1.00 51.02 H new ATOM 0 HD12 LEU A 45 1.832 2.874 3.484 1.00 51.02 H new ATOM 0 HD13 LEU A 45 2.460 1.499 2.544 1.00 51.02 H new ATOM 0 HD21 LEU A 45 -0.265 0.754 1.287 1.00 25.40 H new ATOM 0 HD22 LEU A 45 0.841 -0.449 1.991 1.00 25.40 H new ATOM 0 HD23 LEU A 45 -0.839 -0.340 2.568 1.00 25.40 H new ATOM 713 N GLU A 46 0.416 -0.393 7.539 1.00 41.05 N ATOM 714 CA GLU A 46 0.804 -1.007 8.813 1.00 15.31 C ATOM 715 C GLU A 46 -0.131 -2.178 9.162 1.00 40.13 C ATOM 716 O GLU A 46 0.328 -3.269 9.508 1.00 22.20 O ATOM 717 CB GLU A 46 0.791 0.026 9.958 1.00 64.55 C ATOM 718 CG GLU A 46 2.160 0.607 10.315 1.00 14.02 C ATOM 719 CD GLU A 46 2.604 1.758 9.423 1.00 14.42 C ATOM 720 OE1 GLU A 46 2.115 2.889 9.622 1.00 43.20 O ATOM 721 OE2 GLU A 46 3.475 1.549 8.553 1.00 65.10 O ATOM 0 H GLU A 46 0.233 0.609 7.594 1.00 41.05 H new ATOM 0 HA GLU A 46 1.820 -1.385 8.697 1.00 15.31 H new ATOM 0 HB2 GLU A 46 0.126 0.844 9.682 1.00 64.55 H new ATOM 0 HB3 GLU A 46 0.368 -0.443 10.847 1.00 64.55 H new ATOM 0 HG2 GLU A 46 2.137 0.952 11.349 1.00 14.02 H new ATOM 0 HG3 GLU A 46 2.904 -0.187 10.261 1.00 14.02 H new ATOM 728 N GLN A 47 -1.442 -1.946 9.058 1.00 61.14 N ATOM 729 CA GLN A 47 -2.438 -2.995 9.322 1.00 52.43 C ATOM 730 C GLN A 47 -2.200 -4.222 8.424 1.00 54.11 C ATOM 731 O GLN A 47 -2.116 -5.351 8.908 1.00 52.42 O ATOM 732 CB GLN A 47 -3.861 -2.456 9.101 1.00 25.03 C ATOM 733 CG GLN A 47 -4.229 -1.282 10.003 1.00 73.13 C ATOM 734 CD GLN A 47 -5.651 -0.791 9.785 1.00 61.41 C ATOM 735 OE1 GLN A 47 -6.200 -0.900 8.692 1.00 60.12 O ATOM 736 NE2 GLN A 47 -6.255 -0.239 10.816 1.00 72.55 N ATOM 0 H GLN A 47 -1.841 -1.045 8.794 1.00 61.14 H new ATOM 0 HA GLN A 47 -2.331 -3.301 10.363 1.00 52.43 H new ATOM 0 HB2 GLN A 47 -3.964 -2.147 8.061 1.00 25.03 H new ATOM 0 HB3 GLN A 47 -4.574 -3.264 9.265 1.00 25.03 H new ATOM 0 HG2 GLN A 47 -4.108 -1.579 11.045 1.00 73.13 H new ATOM 0 HG3 GLN A 47 -3.535 -0.461 9.823 1.00 73.13 H new ATOM 0 HE21 GLN A 47 -5.771 -0.164 11.711 1.00 72.55 H new ATOM 0 HE22 GLN A 47 -7.207 0.114 10.720 1.00 72.55 H new ATOM 745 N LEU A 48 -2.068 -3.986 7.117 1.00 1.40 N ATOM 746 CA LEU A 48 -1.788 -5.058 6.150 1.00 71.23 C ATOM 747 C LEU A 48 -0.478 -5.794 6.489 1.00 31.35 C ATOM 748 O LEU A 48 -0.328 -6.985 6.215 1.00 61.15 O ATOM 749 CB LEU A 48 -1.729 -4.488 4.726 1.00 61.22 C ATOM 750 CG LEU A 48 -3.052 -3.912 4.193 1.00 21.44 C ATOM 751 CD1 LEU A 48 -2.862 -3.312 2.804 1.00 43.12 C ATOM 752 CD2 LEU A 48 -4.138 -4.985 4.179 1.00 30.21 C ATOM 0 H LEU A 48 -2.150 -3.059 6.699 1.00 1.40 H new ATOM 0 HA LEU A 48 -2.601 -5.782 6.208 1.00 71.23 H new ATOM 0 HB2 LEU A 48 -0.973 -3.704 4.697 1.00 61.22 H new ATOM 0 HB3 LEU A 48 -1.397 -5.276 4.050 1.00 61.22 H new ATOM 0 HG LEU A 48 -3.371 -3.113 4.863 1.00 21.44 H new ATOM 0 HD11 LEU A 48 -3.811 -2.911 2.448 1.00 43.12 H new ATOM 0 HD12 LEU A 48 -2.125 -2.511 2.852 1.00 43.12 H new ATOM 0 HD13 LEU A 48 -2.514 -4.085 2.118 1.00 43.12 H new ATOM 0 HD21 LEU A 48 -5.066 -4.558 3.799 1.00 30.21 H new ATOM 0 HD22 LEU A 48 -3.827 -5.809 3.536 1.00 30.21 H new ATOM 0 HD23 LEU A 48 -4.297 -5.355 5.192 1.00 30.21 H new ATOM 764 N HIS A 49 0.465 -5.076 7.087 1.00 5.43 N ATOM 765 CA HIS A 49 1.706 -5.676 7.580 1.00 72.41 C ATOM 766 C HIS A 49 1.437 -6.653 8.742 1.00 5.43 C ATOM 767 O HIS A 49 1.962 -7.768 8.766 1.00 10.41 O ATOM 768 CB HIS A 49 2.674 -4.563 8.016 1.00 31.20 C ATOM 769 CG HIS A 49 3.820 -5.029 8.865 1.00 71.23 C ATOM 770 ND1 HIS A 49 4.133 -4.459 10.080 1.00 40.14 N ATOM 771 CD2 HIS A 49 4.734 -6.008 8.667 1.00 72.24 C ATOM 772 CE1 HIS A 49 5.186 -5.062 10.590 1.00 22.21 C ATOM 773 NE2 HIS A 49 5.572 -6.007 9.757 1.00 14.32 N ATOM 0 H HIS A 49 0.396 -4.071 7.245 1.00 5.43 H new ATOM 0 HA HIS A 49 2.159 -6.252 6.773 1.00 72.41 H new ATOM 0 HB2 HIS A 49 3.073 -4.077 7.126 1.00 31.20 H new ATOM 0 HB3 HIS A 49 2.114 -3.808 8.568 1.00 31.20 H new ATOM 0 HD1 HIS A 49 3.627 -3.689 10.517 1.00 40.14 H new ATOM 0 HD2 HIS A 49 4.794 -6.666 7.813 1.00 72.24 H new ATOM 0 HE1 HIS A 49 5.655 -4.822 11.533 1.00 22.21 H new ATOM 782 N ASP A 50 0.610 -6.230 9.696 1.00 23.30 N ATOM 783 CA ASP A 50 0.332 -7.027 10.901 1.00 62.13 C ATOM 784 C ASP A 50 -0.697 -8.150 10.663 1.00 73.14 C ATOM 785 O ASP A 50 -0.729 -9.133 11.404 1.00 3.13 O ATOM 786 CB ASP A 50 -0.144 -6.114 12.031 1.00 24.41 C ATOM 787 CG ASP A 50 0.944 -5.161 12.488 1.00 35.42 C ATOM 788 OD1 ASP A 50 1.990 -5.641 12.973 1.00 74.34 O ATOM 789 OD2 ASP A 50 0.766 -3.933 12.359 1.00 20.14 O ATOM 0 H ASP A 50 0.117 -5.338 9.662 1.00 23.30 H new ATOM 0 HA ASP A 50 1.267 -7.513 11.178 1.00 62.13 H new ATOM 0 HB2 ASP A 50 -1.009 -5.542 11.695 1.00 24.41 H new ATOM 0 HB3 ASP A 50 -0.471 -6.722 12.875 1.00 24.41 H new ATOM 794 N VAL A 51 -1.549 -8.006 9.650 1.00 25.42 N ATOM 795 CA VAL A 51 -2.539 -9.051 9.336 1.00 52.24 C ATOM 796 C VAL A 51 -1.982 -10.085 8.340 1.00 35.24 C ATOM 797 O VAL A 51 -2.706 -10.964 7.871 1.00 11.14 O ATOM 798 CB VAL A 51 -3.856 -8.452 8.778 1.00 62.43 C ATOM 799 CG1 VAL A 51 -4.461 -7.460 9.771 1.00 74.45 C ATOM 800 CG2 VAL A 51 -3.629 -7.798 7.418 1.00 75.21 C ATOM 0 H VAL A 51 -1.580 -7.191 9.037 1.00 25.42 H new ATOM 0 HA VAL A 51 -2.758 -9.554 10.278 1.00 52.24 H new ATOM 0 HB VAL A 51 -4.566 -9.267 8.638 1.00 62.43 H new ATOM 0 HG11 VAL A 51 -5.384 -7.051 9.360 1.00 74.45 H new ATOM 0 HG12 VAL A 51 -4.676 -7.970 10.710 1.00 74.45 H new ATOM 0 HG13 VAL A 51 -3.755 -6.650 9.952 1.00 74.45 H new ATOM 0 HG21 VAL A 51 -4.569 -7.387 7.051 1.00 75.21 H new ATOM 0 HG22 VAL A 51 -2.896 -6.997 7.517 1.00 75.21 H new ATOM 0 HG23 VAL A 51 -3.259 -8.543 6.713 1.00 75.21 H new ATOM 810 N GLY A 52 -0.691 -9.968 8.026 1.00 23.04 N ATOM 811 CA GLY A 52 -0.027 -10.931 7.148 1.00 11.11 C ATOM 812 C GLY A 52 -0.325 -10.725 5.665 1.00 31.25 C ATOM 813 O GLY A 52 -0.824 -11.629 4.992 1.00 63.13 O ATOM 0 H GLY A 52 -0.087 -9.219 8.365 1.00 23.04 H new ATOM 0 HA2 GLY A 52 1.050 -10.868 7.304 1.00 11.11 H new ATOM 0 HA3 GLY A 52 -0.332 -11.938 7.433 1.00 11.11 H new ATOM 817 N VAL A 53 -0.019 -9.533 5.148 1.00 31.40 N ATOM 818 CA VAL A 53 -0.212 -9.232 3.718 1.00 13.04 C ATOM 819 C VAL A 53 1.037 -8.577 3.097 1.00 3.02 C ATOM 820 O VAL A 53 1.543 -9.032 2.067 1.00 21.41 O ATOM 821 CB VAL A 53 -1.440 -8.304 3.494 1.00 52.25 C ATOM 822 CG1 VAL A 53 -1.593 -7.937 2.016 1.00 10.15 C ATOM 823 CG2 VAL A 53 -2.721 -8.951 4.023 1.00 32.30 C ATOM 0 H VAL A 53 0.363 -8.759 5.692 1.00 31.40 H new ATOM 0 HA VAL A 53 -0.390 -10.187 3.224 1.00 13.04 H new ATOM 0 HB VAL A 53 -1.266 -7.385 4.054 1.00 52.25 H new ATOM 0 HG11 VAL A 53 -2.459 -7.288 1.890 1.00 10.15 H new ATOM 0 HG12 VAL A 53 -0.698 -7.417 1.676 1.00 10.15 H new ATOM 0 HG13 VAL A 53 -1.731 -8.844 1.428 1.00 10.15 H new ATOM 0 HG21 VAL A 53 -3.564 -8.281 3.854 1.00 32.30 H new ATOM 0 HG22 VAL A 53 -2.895 -9.892 3.502 1.00 32.30 H new ATOM 0 HG23 VAL A 53 -2.618 -9.142 5.091 1.00 32.30 H new ATOM 833 N LEU A 54 1.534 -7.510 3.726 1.00 0.05 N ATOM 834 CA LEU A 54 2.660 -6.741 3.173 1.00 70.23 C ATOM 835 C LEU A 54 4.018 -7.149 3.774 1.00 40.11 C ATOM 836 O LEU A 54 4.129 -7.460 4.963 1.00 33.32 O ATOM 837 CB LEU A 54 2.436 -5.235 3.385 1.00 52.42 C ATOM 838 CG LEU A 54 1.196 -4.649 2.689 1.00 64.32 C ATOM 839 CD1 LEU A 54 1.109 -3.147 2.930 1.00 41.24 C ATOM 840 CD2 LEU A 54 1.201 -4.955 1.193 1.00 3.24 C ATOM 0 H LEU A 54 1.179 -7.157 4.615 1.00 0.05 H new ATOM 0 HA LEU A 54 2.694 -6.967 2.107 1.00 70.23 H new ATOM 0 HB2 LEU A 54 2.356 -5.044 4.455 1.00 52.42 H new ATOM 0 HB3 LEU A 54 3.317 -4.700 3.031 1.00 52.42 H new ATOM 0 HG LEU A 54 0.315 -5.123 3.121 1.00 64.32 H new ATOM 0 HD11 LEU A 54 0.226 -2.749 2.430 1.00 41.24 H new ATOM 0 HD12 LEU A 54 1.038 -2.954 4.000 1.00 41.24 H new ATOM 0 HD13 LEU A 54 2.000 -2.662 2.532 1.00 41.24 H new ATOM 0 HD21 LEU A 54 0.311 -4.527 0.731 1.00 3.24 H new ATOM 0 HD22 LEU A 54 2.091 -4.522 0.736 1.00 3.24 H new ATOM 0 HD23 LEU A 54 1.204 -6.035 1.042 1.00 3.24 H new ATOM 852 N GLU A 55 5.045 -7.122 2.926 1.00 72.13 N ATOM 853 CA GLU A 55 6.423 -7.441 3.317 1.00 42.21 C ATOM 854 C GLU A 55 7.256 -6.154 3.497 1.00 4.13 C ATOM 855 O GLU A 55 6.978 -5.132 2.863 1.00 1.25 O ATOM 856 CB GLU A 55 7.062 -8.337 2.240 1.00 33.44 C ATOM 857 CG GLU A 55 8.498 -8.760 2.536 1.00 34.42 C ATOM 858 CD GLU A 55 8.611 -9.649 3.766 1.00 21.24 C ATOM 859 OE1 GLU A 55 8.430 -10.878 3.635 1.00 4.04 O ATOM 860 OE2 GLU A 55 8.889 -9.127 4.868 1.00 71.12 O ATOM 0 H GLU A 55 4.947 -6.877 1.941 1.00 72.13 H new ATOM 0 HA GLU A 55 6.405 -7.968 4.271 1.00 42.21 H new ATOM 0 HB2 GLU A 55 6.451 -9.232 2.121 1.00 33.44 H new ATOM 0 HB3 GLU A 55 7.042 -7.808 1.287 1.00 33.44 H new ATOM 0 HG2 GLU A 55 8.901 -9.290 1.673 1.00 34.42 H new ATOM 0 HG3 GLU A 55 9.111 -7.870 2.679 1.00 34.42 H new ATOM 867 N LYS A 56 8.290 -6.218 4.341 1.00 14.23 N ATOM 868 CA LYS A 56 9.119 -5.041 4.652 1.00 42.41 C ATOM 869 C LYS A 56 10.395 -5.026 3.793 1.00 42.22 C ATOM 870 O LYS A 56 11.214 -5.945 3.864 1.00 65.42 O ATOM 871 CB LYS A 56 9.514 -5.012 6.145 1.00 34.12 C ATOM 872 CG LYS A 56 8.345 -5.167 7.125 1.00 25.33 C ATOM 873 CD LYS A 56 7.857 -6.614 7.216 1.00 65.31 C ATOM 874 CE LYS A 56 8.952 -7.552 7.712 1.00 34.35 C ATOM 875 NZ LYS A 56 8.550 -8.979 7.615 1.00 1.34 N ATOM 0 H LYS A 56 8.576 -7.070 4.823 1.00 14.23 H new ATOM 0 HA LYS A 56 8.521 -4.158 4.426 1.00 42.41 H new ATOM 0 HB2 LYS A 56 10.233 -5.810 6.331 1.00 34.12 H new ATOM 0 HB3 LYS A 56 10.021 -4.070 6.353 1.00 34.12 H new ATOM 0 HG2 LYS A 56 8.654 -4.826 8.113 1.00 25.33 H new ATOM 0 HG3 LYS A 56 7.521 -4.526 6.810 1.00 25.33 H new ATOM 0 HD2 LYS A 56 7.001 -6.667 7.889 1.00 65.31 H new ATOM 0 HD3 LYS A 56 7.513 -6.944 6.236 1.00 65.31 H new ATOM 0 HE2 LYS A 56 9.859 -7.391 7.129 1.00 34.35 H new ATOM 0 HE3 LYS A 56 9.192 -7.313 8.748 1.00 34.35 H new ATOM 0 HZ1 LYS A 56 9.187 -9.559 8.198 1.00 1.34 H new ATOM 0 HZ2 LYS A 56 7.573 -9.088 7.955 1.00 1.34 H new ATOM 0 HZ3 LYS A 56 8.608 -9.290 6.624 1.00 1.34 H new ATOM 889 N VAL A 57 10.567 -3.977 2.993 1.00 53.00 N ATOM 890 CA VAL A 57 11.727 -3.869 2.100 1.00 43.33 C ATOM 891 C VAL A 57 12.721 -2.793 2.567 1.00 2.40 C ATOM 892 O VAL A 57 12.463 -1.593 2.450 1.00 14.14 O ATOM 893 CB VAL A 57 11.280 -3.546 0.653 1.00 54.42 C ATOM 894 CG1 VAL A 57 12.478 -3.492 -0.299 1.00 72.10 C ATOM 895 CG2 VAL A 57 10.246 -4.562 0.179 1.00 22.34 C ATOM 0 H VAL A 57 9.922 -3.189 2.942 1.00 53.00 H new ATOM 0 HA VAL A 57 12.228 -4.837 2.126 1.00 43.33 H new ATOM 0 HB VAL A 57 10.818 -2.559 0.651 1.00 54.42 H new ATOM 0 HG11 VAL A 57 12.132 -3.263 -1.307 1.00 72.10 H new ATOM 0 HG12 VAL A 57 13.171 -2.718 0.031 1.00 72.10 H new ATOM 0 HG13 VAL A 57 12.986 -4.457 -0.300 1.00 72.10 H new ATOM 0 HG21 VAL A 57 9.941 -4.322 -0.840 1.00 22.34 H new ATOM 0 HG22 VAL A 57 10.681 -5.561 0.202 1.00 22.34 H new ATOM 0 HG23 VAL A 57 9.376 -4.529 0.835 1.00 22.34 H new ATOM 905 N ASN A 58 13.859 -3.232 3.097 1.00 52.40 N ATOM 906 CA ASN A 58 14.938 -2.317 3.484 1.00 62.35 C ATOM 907 C ASN A 58 15.888 -2.072 2.299 1.00 41.24 C ATOM 908 O ASN A 58 16.723 -2.913 1.973 1.00 64.15 O ATOM 909 CB ASN A 58 15.710 -2.875 4.684 1.00 61.01 C ATOM 910 CG ASN A 58 16.788 -1.920 5.171 1.00 60.13 C ATOM 911 OD1 ASN A 58 17.946 -2.009 4.776 1.00 1.13 O ATOM 912 ND2 ASN A 58 16.411 -0.984 6.020 1.00 4.40 N ATOM 0 H ASN A 58 14.062 -4.217 3.270 1.00 52.40 H new ATOM 0 HA ASN A 58 14.494 -1.364 3.772 1.00 62.35 H new ATOM 0 HB2 ASN A 58 15.014 -3.079 5.498 1.00 61.01 H new ATOM 0 HB3 ASN A 58 16.167 -3.826 4.409 1.00 61.01 H new ATOM 0 HD21 ASN A 58 17.090 -0.307 6.367 1.00 4.40 H new ATOM 0 HD22 ASN A 58 15.440 -0.937 6.329 1.00 4.40 H new ATOM 919 N ALA A 59 15.731 -0.919 1.650 1.00 2.51 N ATOM 920 CA ALA A 59 16.525 -0.570 0.462 1.00 53.41 C ATOM 921 C ALA A 59 17.960 -0.134 0.816 1.00 3.23 C ATOM 922 O ALA A 59 18.814 -0.015 -0.067 1.00 61.04 O ATOM 923 CB ALA A 59 15.819 0.529 -0.329 1.00 71.32 C ATOM 0 H ALA A 59 15.058 -0.204 1.925 1.00 2.51 H new ATOM 0 HA ALA A 59 16.608 -1.469 -0.148 1.00 53.41 H new ATOM 0 HB1 ALA A 59 16.412 0.783 -1.208 1.00 71.32 H new ATOM 0 HB2 ALA A 59 14.837 0.177 -0.644 1.00 71.32 H new ATOM 0 HB3 ALA A 59 15.704 1.413 0.299 1.00 71.32 H new ATOM 929 N GLY A 60 18.226 0.099 2.099 1.00 21.41 N ATOM 930 CA GLY A 60 19.558 0.528 2.519 1.00 12.12 C ATOM 931 C GLY A 60 19.594 1.073 3.943 1.00 21.12 C ATOM 932 O GLY A 60 18.561 1.157 4.613 1.00 62.44 O ATOM 0 H GLY A 60 17.549 0.000 2.856 1.00 21.41 H new ATOM 0 HA2 GLY A 60 20.245 -0.315 2.442 1.00 12.12 H new ATOM 0 HA3 GLY A 60 19.918 1.296 1.834 1.00 12.12 H new ATOM 936 N LYS A 61 20.782 1.454 4.404 1.00 64.04 N ATOM 937 CA LYS A 61 20.957 1.969 5.766 1.00 44.33 C ATOM 938 C LYS A 61 20.473 3.424 5.878 1.00 55.13 C ATOM 939 O LYS A 61 21.204 4.358 5.549 1.00 55.35 O ATOM 940 CB LYS A 61 22.434 1.873 6.184 1.00 3.14 C ATOM 941 CG LYS A 61 23.056 0.495 5.972 1.00 14.52 C ATOM 942 CD LYS A 61 22.302 -0.599 6.723 1.00 42.11 C ATOM 943 CE LYS A 61 22.367 -0.411 8.234 1.00 72.23 C ATOM 944 NZ LYS A 61 21.598 -1.461 8.948 1.00 61.14 N ATOM 0 H LYS A 61 21.642 1.417 3.856 1.00 64.04 H new ATOM 0 HA LYS A 61 20.353 1.357 6.436 1.00 44.33 H new ATOM 0 HB2 LYS A 61 23.008 2.609 5.621 1.00 3.14 H new ATOM 0 HB3 LYS A 61 22.520 2.140 7.237 1.00 3.14 H new ATOM 0 HG2 LYS A 61 23.065 0.262 4.907 1.00 14.52 H new ATOM 0 HG3 LYS A 61 24.094 0.512 6.304 1.00 14.52 H new ATOM 0 HD2 LYS A 61 21.260 -0.604 6.404 1.00 42.11 H new ATOM 0 HD3 LYS A 61 22.720 -1.571 6.461 1.00 42.11 H new ATOM 0 HE2 LYS A 61 23.407 -0.435 8.560 1.00 72.23 H new ATOM 0 HE3 LYS A 61 21.974 0.571 8.496 1.00 72.23 H new ATOM 0 HZ1 LYS A 61 21.664 -1.302 9.974 1.00 61.14 H new ATOM 0 HZ2 LYS A 61 20.601 -1.421 8.655 1.00 61.14 H new ATOM 0 HZ3 LYS A 61 21.990 -2.396 8.716 1.00 61.14 H new ATOM 958 N GLY A 62 19.234 3.610 6.325 1.00 31.23 N ATOM 959 CA GLY A 62 18.678 4.955 6.455 1.00 23.21 C ATOM 960 C GLY A 62 17.200 5.031 6.086 1.00 21.54 C ATOM 961 O GLY A 62 16.496 5.948 6.514 1.00 30.41 O ATOM 0 H GLY A 62 18.602 2.858 6.600 1.00 31.23 H new ATOM 0 HA2 GLY A 62 18.808 5.297 7.482 1.00 23.21 H new ATOM 0 HA3 GLY A 62 19.241 5.637 5.818 1.00 23.21 H new ATOM 965 N VAL A 63 16.731 4.082 5.281 1.00 64.15 N ATOM 966 CA VAL A 63 15.316 4.028 4.901 1.00 54.02 C ATOM 967 C VAL A 63 14.461 3.382 6.006 1.00 50.31 C ATOM 968 O VAL A 63 14.866 2.382 6.609 1.00 40.11 O ATOM 969 CB VAL A 63 15.109 3.251 3.575 1.00 73.14 C ATOM 970 CG1 VAL A 63 15.876 3.918 2.435 1.00 2.22 C ATOM 971 CG2 VAL A 63 15.515 1.785 3.720 1.00 45.23 C ATOM 0 H VAL A 63 17.305 3.341 4.879 1.00 64.15 H new ATOM 0 HA VAL A 63 14.994 5.059 4.759 1.00 54.02 H new ATOM 0 HB VAL A 63 14.046 3.277 3.335 1.00 73.14 H new ATOM 0 HG11 VAL A 63 15.718 3.358 1.513 1.00 2.22 H new ATOM 0 HG12 VAL A 63 15.519 4.939 2.305 1.00 2.22 H new ATOM 0 HG13 VAL A 63 16.940 3.933 2.672 1.00 2.22 H new ATOM 0 HG21 VAL A 63 15.358 1.269 2.773 1.00 45.23 H new ATOM 0 HG22 VAL A 63 16.568 1.725 3.996 1.00 45.23 H new ATOM 0 HG23 VAL A 63 14.909 1.315 4.495 1.00 45.23 H new ATOM 981 N PRO A 64 13.269 3.946 6.300 1.00 64.51 N ATOM 982 CA PRO A 64 12.363 3.386 7.319 1.00 11.31 C ATOM 983 C PRO A 64 11.817 2.003 6.920 1.00 15.22 C ATOM 984 O PRO A 64 11.831 1.061 7.716 1.00 70.02 O ATOM 985 CB PRO A 64 11.230 4.424 7.407 1.00 34.43 C ATOM 986 CG PRO A 64 11.270 5.152 6.103 1.00 51.31 C ATOM 987 CD PRO A 64 12.718 5.173 5.685 1.00 41.03 C ATOM 0 HA PRO A 64 12.870 3.220 8.270 1.00 11.31 H new ATOM 0 HB2 PRO A 64 10.264 3.942 7.560 1.00 34.43 H new ATOM 0 HB3 PRO A 64 11.383 5.105 8.244 1.00 34.43 H new ATOM 0 HG2 PRO A 64 10.655 4.649 5.356 1.00 51.31 H new ATOM 0 HG3 PRO A 64 10.879 6.164 6.209 1.00 51.31 H new ATOM 0 HD2 PRO A 64 12.823 5.161 4.600 1.00 41.03 H new ATOM 0 HD3 PRO A 64 13.227 6.067 6.045 1.00 41.03 H new ATOM 995 N GLY A 65 11.343 1.886 5.679 1.00 13.43 N ATOM 996 CA GLY A 65 10.816 0.618 5.191 1.00 5.00 C ATOM 997 C GLY A 65 9.886 0.784 3.993 1.00 53.33 C ATOM 998 O GLY A 65 8.844 1.435 4.095 1.00 35.21 O ATOM 0 H GLY A 65 11.314 2.648 5.001 1.00 13.43 H new ATOM 0 HA2 GLY A 65 11.646 -0.032 4.913 1.00 5.00 H new ATOM 0 HA3 GLY A 65 10.277 0.120 5.997 1.00 5.00 H new ATOM 1002 N LEU A 66 10.274 0.208 2.854 1.00 25.23 N ATOM 1003 CA LEU A 66 9.446 0.235 1.641 1.00 12.52 C ATOM 1004 C LEU A 66 8.480 -0.962 1.617 1.00 75.14 C ATOM 1005 O LEU A 66 8.707 -1.965 2.294 1.00 73.54 O ATOM 1006 CB LEU A 66 10.340 0.239 0.394 1.00 64.45 C ATOM 1007 CG LEU A 66 11.274 1.460 0.263 1.00 31.04 C ATOM 1008 CD1 LEU A 66 12.200 1.315 -0.939 1.00 23.45 C ATOM 1009 CD2 LEU A 66 10.463 2.753 0.164 1.00 54.13 C ATOM 0 H LEU A 66 11.160 -0.286 2.743 1.00 25.23 H new ATOM 0 HA LEU A 66 8.850 1.148 1.644 1.00 12.52 H new ATOM 0 HB2 LEU A 66 10.948 -0.665 0.399 1.00 64.45 H new ATOM 0 HB3 LEU A 66 9.704 0.191 -0.490 1.00 64.45 H new ATOM 0 HG LEU A 66 11.891 1.508 1.160 1.00 31.04 H new ATOM 0 HD11 LEU A 66 12.847 2.189 -1.007 1.00 23.45 H new ATOM 0 HD12 LEU A 66 12.811 0.420 -0.822 1.00 23.45 H new ATOM 0 HD13 LEU A 66 11.605 1.232 -1.849 1.00 23.45 H new ATOM 0 HD21 LEU A 66 11.141 3.602 0.072 1.00 54.13 H new ATOM 0 HD22 LEU A 66 9.815 2.710 -0.711 1.00 54.13 H new ATOM 0 HD23 LEU A 66 9.854 2.870 1.061 1.00 54.13 H new ATOM 1021 N TRP A 67 7.411 -0.863 0.827 1.00 42.54 N ATOM 1022 CA TRP A 67 6.315 -1.841 0.899 1.00 64.42 C ATOM 1023 C TRP A 67 6.284 -2.820 -0.287 1.00 45.22 C ATOM 1024 O TRP A 67 6.398 -2.430 -1.448 1.00 40.54 O ATOM 1025 CB TRP A 67 4.976 -1.099 0.998 1.00 53.14 C ATOM 1026 CG TRP A 67 4.890 -0.205 2.200 1.00 70.23 C ATOM 1027 CD1 TRP A 67 5.077 1.148 2.234 1.00 3.11 C ATOM 1028 CD2 TRP A 67 4.613 -0.606 3.546 1.00 11.30 C ATOM 1029 NE1 TRP A 67 4.926 1.612 3.518 1.00 71.21 N ATOM 1030 CE2 TRP A 67 4.638 0.556 4.342 1.00 52.11 C ATOM 1031 CE3 TRP A 67 4.336 -1.832 4.157 1.00 70.32 C ATOM 1032 CZ2 TRP A 67 4.406 0.523 5.713 1.00 72.15 C ATOM 1033 CZ3 TRP A 67 4.105 -1.864 5.518 1.00 1.11 C ATOM 1034 CH2 TRP A 67 4.138 -0.693 6.283 1.00 64.14 C ATOM 0 H TRP A 67 7.277 -0.125 0.135 1.00 42.54 H new ATOM 0 HA TRP A 67 6.489 -2.445 1.790 1.00 64.42 H new ATOM 0 HB2 TRP A 67 4.829 -0.503 0.097 1.00 53.14 H new ATOM 0 HB3 TRP A 67 4.165 -1.827 1.034 1.00 53.14 H new ATOM 0 HD1 TRP A 67 5.309 1.763 1.377 1.00 3.11 H new ATOM 0 HE1 TRP A 67 5.014 2.585 3.811 1.00 71.21 H new ATOM 0 HE3 TRP A 67 4.303 -2.740 3.574 1.00 70.32 H new ATOM 0 HZ2 TRP A 67 4.436 1.424 6.307 1.00 72.15 H new ATOM 0 HZ3 TRP A 67 3.896 -2.808 6.000 1.00 1.11 H new ATOM 0 HH2 TRP A 67 3.948 -0.749 7.345 1.00 64.14 H new ATOM 1045 N ARG A 68 6.139 -4.103 0.033 1.00 71.54 N ATOM 1046 CA ARG A 68 5.861 -5.154 -0.958 1.00 33.12 C ATOM 1047 C ARG A 68 4.829 -6.140 -0.393 1.00 30.42 C ATOM 1048 O ARG A 68 4.204 -5.865 0.624 1.00 43.15 O ATOM 1049 CB ARG A 68 7.151 -5.894 -1.370 1.00 25.32 C ATOM 1050 CG ARG A 68 7.935 -5.192 -2.482 1.00 51.02 C ATOM 1051 CD ARG A 68 9.156 -5.995 -2.931 1.00 44.13 C ATOM 1052 NE ARG A 68 8.843 -7.413 -3.103 1.00 43.21 N ATOM 1053 CZ ARG A 68 9.005 -8.094 -4.205 1.00 12.53 C ATOM 1054 NH1 ARG A 68 9.439 -7.531 -5.290 1.00 31.31 N ATOM 1055 NH2 ARG A 68 8.725 -9.354 -4.208 1.00 3.51 N ATOM 0 H ARG A 68 6.210 -4.451 0.989 1.00 71.54 H new ATOM 0 HA ARG A 68 5.454 -4.683 -1.853 1.00 33.12 H new ATOM 0 HB2 ARG A 68 7.793 -6.000 -0.496 1.00 25.32 H new ATOM 0 HB3 ARG A 68 6.893 -6.900 -1.699 1.00 25.32 H new ATOM 0 HG2 ARG A 68 7.279 -5.026 -3.336 1.00 51.02 H new ATOM 0 HG3 ARG A 68 8.257 -4.211 -2.132 1.00 51.02 H new ATOM 0 HD2 ARG A 68 9.532 -5.590 -3.870 1.00 44.13 H new ATOM 0 HD3 ARG A 68 9.953 -5.886 -2.195 1.00 44.13 H new ATOM 0 HE ARG A 68 8.467 -7.911 -2.296 1.00 43.21 H new ATOM 0 HH11 ARG A 68 9.662 -6.536 -5.294 1.00 31.31 H new ATOM 0 HH12 ARG A 68 9.558 -8.084 -6.139 1.00 31.31 H new ATOM 0 HH21 ARG A 68 8.383 -9.802 -3.358 1.00 3.51 H new ATOM 0 HH22 ARG A 68 8.846 -9.901 -5.060 1.00 3.51 H new ATOM 1069 N LEU A 69 4.632 -7.277 -1.057 1.00 71.00 N ATOM 1070 CA LEU A 69 3.697 -8.303 -0.559 1.00 14.14 C ATOM 1071 C LEU A 69 4.439 -9.586 -0.165 1.00 44.12 C ATOM 1072 O LEU A 69 5.626 -9.736 -0.450 1.00 60.00 O ATOM 1073 CB LEU A 69 2.596 -8.593 -1.604 1.00 51.32 C ATOM 1074 CG LEU A 69 3.067 -8.848 -3.052 1.00 40.24 C ATOM 1075 CD1 LEU A 69 3.775 -10.195 -3.197 1.00 21.02 C ATOM 1076 CD2 LEU A 69 1.890 -8.755 -4.020 1.00 23.15 C ATOM 0 H LEU A 69 5.098 -7.517 -1.932 1.00 71.00 H new ATOM 0 HA LEU A 69 3.216 -7.913 0.338 1.00 14.14 H new ATOM 0 HB2 LEU A 69 2.031 -9.464 -1.271 1.00 51.32 H new ATOM 0 HB3 LEU A 69 1.905 -7.750 -1.614 1.00 51.32 H new ATOM 0 HG LEU A 69 3.792 -8.073 -3.299 1.00 40.24 H new ATOM 0 HD11 LEU A 69 4.089 -10.332 -4.232 1.00 21.02 H new ATOM 0 HD12 LEU A 69 4.649 -10.218 -2.547 1.00 21.02 H new ATOM 0 HD13 LEU A 69 3.092 -10.997 -2.916 1.00 21.02 H new ATOM 0 HD21 LEU A 69 2.239 -8.937 -5.036 1.00 23.15 H new ATOM 0 HD22 LEU A 69 1.141 -9.501 -3.755 1.00 23.15 H new ATOM 0 HD23 LEU A 69 1.448 -7.760 -3.961 1.00 23.15 H new ATOM 1088 N LEU A 70 3.749 -10.506 0.503 1.00 22.14 N ATOM 1089 CA LEU A 70 4.352 -11.792 0.871 1.00 64.22 C ATOM 1090 C LEU A 70 4.622 -12.654 -0.377 1.00 74.42 C ATOM 1091 O LEU A 70 3.748 -13.392 -0.843 1.00 70.33 O ATOM 1092 CB LEU A 70 3.453 -12.547 1.865 1.00 64.55 C ATOM 1093 CG LEU A 70 3.213 -11.831 3.208 1.00 34.45 C ATOM 1094 CD1 LEU A 70 2.311 -12.663 4.115 1.00 51.04 C ATOM 1095 CD2 LEU A 70 4.535 -11.512 3.905 1.00 34.35 C ATOM 0 H LEU A 70 2.780 -10.391 0.800 1.00 22.14 H new ATOM 0 HA LEU A 70 5.308 -11.589 1.354 1.00 64.22 H new ATOM 0 HB2 LEU A 70 2.488 -12.729 1.391 1.00 64.55 H new ATOM 0 HB3 LEU A 70 3.899 -13.521 2.066 1.00 64.55 H new ATOM 0 HG LEU A 70 2.707 -10.889 2.998 1.00 34.45 H new ATOM 0 HD11 LEU A 70 2.157 -12.136 5.057 1.00 51.04 H new ATOM 0 HD12 LEU A 70 1.350 -12.821 3.626 1.00 51.04 H new ATOM 0 HD13 LEU A 70 2.781 -13.627 4.311 1.00 51.04 H new ATOM 0 HD21 LEU A 70 4.335 -11.007 4.850 1.00 34.35 H new ATOM 0 HD22 LEU A 70 5.078 -12.437 4.096 1.00 34.35 H new ATOM 0 HD23 LEU A 70 5.136 -10.864 3.267 1.00 34.35 H new ATOM 1107 N GLU A 71 5.836 -12.542 -0.913 1.00 71.14 N ATOM 1108 CA GLU A 71 6.229 -13.242 -2.145 1.00 45.23 C ATOM 1109 C GLU A 71 6.623 -14.704 -1.865 1.00 12.21 C ATOM 1110 O GLU A 71 5.802 -15.611 -2.133 1.00 39.06 O ATOM 1111 CB GLU A 71 7.398 -12.495 -2.809 1.00 71.35 C ATOM 1112 CG GLU A 71 7.904 -13.139 -4.095 1.00 61.41 C ATOM 1113 CD GLU A 71 9.149 -12.455 -4.634 1.00 54.22 C ATOM 1114 OE1 GLU A 71 10.248 -12.699 -4.089 1.00 54.41 O ATOM 1115 OE2 GLU A 71 9.035 -11.654 -5.589 1.00 15.40 O ATOM 0 H GLU A 71 6.576 -11.967 -0.511 1.00 71.14 H new ATOM 0 HA GLU A 71 5.372 -13.256 -2.818 1.00 45.23 H new ATOM 0 HB2 GLU A 71 7.085 -11.474 -3.027 1.00 71.35 H new ATOM 0 HB3 GLU A 71 8.223 -12.431 -2.099 1.00 71.35 H new ATOM 0 HG2 GLU A 71 8.122 -14.191 -3.910 1.00 61.41 H new ATOM 0 HG3 GLU A 71 7.118 -13.104 -4.849 1.00 61.41 H new TER 1122 GLU A 71