USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 7 SER OG : rot 10:sc= 1.92 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -166:sc= 1.25 (180deg=-0.0429) USER MOD Single : A 2 SER OG : rot 38:sc= 0.137 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 135:sc= -0.0507 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.06) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 168:sc= -0.023 (180deg=-0.075) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.1 K(o=1.1,f=-0.014) USER MOD Single : A 28 GLN : amide:sc= 0.1 X(o=0.1,f=-0.043) USER MOD Single : A 33 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.42) USER MOD Single : A 34 GLN : amide:sc= 0.952 K(o=0.95,f=-0.17) USER MOD Single : A 36 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 50 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 86:sc= 1.15 USER MOD Single : A 61 GLN : amide:sc=-0.000264 X(o=-0.00026,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.123 (180deg=-0.909) USER MOD Single : A 65 TYR OH : rot 9:sc= 0.00552 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.07 K(o=1.1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 2.082 2.702 18.117 1.00 4.31 N ATOM 2 CA SER A 2 2.406 1.351 17.695 1.00 3.47 C ATOM 3 C SER A 2 1.071 0.629 17.551 1.00 2.02 C ATOM 4 O SER A 2 0.171 0.909 18.339 1.00 2.50 O ATOM 5 CB SER A 2 3.298 0.673 18.743 1.00 4.16 C ATOM 6 OG SER A 2 4.453 1.452 18.998 1.00 5.44 O ATOM 0 HA SER A 2 2.959 1.335 16.756 1.00 3.47 H new ATOM 0 HB2 SER A 2 2.738 0.531 19.667 1.00 4.16 H new ATOM 0 HB3 SER A 2 3.591 -0.317 18.393 1.00 4.16 H new ATOM 0 HG SER A 2 4.215 2.403 18.990 1.00 5.44 H new ATOM 12 N GLY A 3 0.939 -0.236 16.544 1.00 1.55 N ATOM 13 CA GLY A 3 -0.300 -0.941 16.254 1.00 0.89 C ATOM 14 C GLY A 3 0.028 -2.268 15.584 1.00 0.87 C ATOM 15 O GLY A 3 0.196 -3.289 16.248 1.00 1.36 O ATOM 0 H GLY A 3 1.699 -0.465 15.904 1.00 1.55 H new ATOM 0 HA2 GLY A 3 -0.860 -1.112 17.174 1.00 0.89 H new ATOM 0 HA3 GLY A 3 -0.933 -0.337 15.603 1.00 0.89 H new ATOM 19 N THR A 4 0.168 -2.277 14.259 1.00 0.67 N ATOM 20 CA THR A 4 0.854 -3.336 13.533 1.00 0.69 C ATOM 21 C THR A 4 1.565 -2.657 12.377 1.00 0.82 C ATOM 22 O THR A 4 1.058 -1.647 11.904 1.00 1.25 O ATOM 23 CB THR A 4 -0.142 -4.394 13.034 1.00 0.75 C ATOM 24 OG1 THR A 4 -0.931 -4.825 14.115 1.00 1.03 O ATOM 25 CG2 THR A 4 0.583 -5.628 12.489 1.00 1.03 C ATOM 0 H THR A 4 -0.197 -1.540 13.656 1.00 0.67 H new ATOM 0 HA THR A 4 1.562 -3.864 14.172 1.00 0.69 H new ATOM 0 HB THR A 4 -0.742 -3.941 12.245 1.00 0.75 H new ATOM 0 HG1 THR A 4 -1.571 -5.500 13.805 1.00 1.03 H new ATOM 0 HG21 THR A 4 -0.150 -6.358 12.144 1.00 1.03 H new ATOM 0 HG22 THR A 4 1.224 -5.336 11.657 1.00 1.03 H new ATOM 0 HG23 THR A 4 1.192 -6.070 13.278 1.00 1.03 H new ATOM 33 N ARG A 5 2.690 -3.208 11.916 1.00 0.68 N ATOM 34 CA ARG A 5 3.288 -2.811 10.655 1.00 0.66 C ATOM 35 C ARG A 5 2.981 -3.908 9.651 1.00 0.39 C ATOM 36 O ARG A 5 3.378 -5.054 9.851 1.00 0.50 O ATOM 37 CB ARG A 5 4.800 -2.599 10.815 1.00 0.99 C ATOM 38 CG ARG A 5 5.463 -2.164 9.496 1.00 0.92 C ATOM 39 CD ARG A 5 5.976 -3.317 8.609 1.00 0.83 C ATOM 40 NE ARG A 5 7.321 -3.771 8.994 1.00 1.06 N ATOM 41 CZ ARG A 5 7.888 -4.922 8.591 1.00 2.00 C ATOM 42 NH1 ARG A 5 7.277 -5.712 7.696 1.00 3.54 N ATOM 43 NH2 ARG A 5 9.043 -5.317 9.129 1.00 2.12 N ATOM 0 H ARG A 5 3.204 -3.938 12.409 1.00 0.68 H new ATOM 0 HA ARG A 5 2.878 -1.862 10.310 1.00 0.66 H new ATOM 0 HB2 ARG A 5 4.981 -1.843 11.579 1.00 0.99 H new ATOM 0 HB3 ARG A 5 5.261 -3.523 11.165 1.00 0.99 H new ATOM 0 HG2 ARG A 5 4.745 -1.577 8.923 1.00 0.92 H new ATOM 0 HG3 ARG A 5 6.300 -1.505 9.728 1.00 0.92 H new ATOM 0 HD2 ARG A 5 5.282 -4.155 8.671 1.00 0.83 H new ATOM 0 HD3 ARG A 5 5.990 -2.992 7.569 1.00 0.83 H new ATOM 0 HE ARG A 5 7.864 -3.168 9.612 1.00 1.06 H new ATOM 0 HH11 ARG A 5 6.371 -5.442 7.312 1.00 3.54 H new ATOM 0 HH12 ARG A 5 7.718 -6.582 7.399 1.00 3.54 H new ATOM 0 HH21 ARG A 5 9.494 -4.747 9.844 1.00 2.12 H new ATOM 0 HH22 ARG A 5 9.475 -6.190 8.825 1.00 2.12 H new ATOM 57 N TYR A 6 2.319 -3.563 8.555 1.00 0.30 N ATOM 58 CA TYR A 6 2.211 -4.419 7.381 1.00 0.21 C ATOM 59 C TYR A 6 3.073 -3.854 6.256 1.00 0.26 C ATOM 60 O TYR A 6 3.214 -2.638 6.193 1.00 0.53 O ATOM 61 CB TYR A 6 0.766 -4.407 6.914 1.00 0.33 C ATOM 62 CG TYR A 6 -0.282 -4.557 7.977 1.00 0.52 C ATOM 63 CD1 TYR A 6 -0.197 -5.621 8.888 1.00 1.58 C ATOM 64 CD2 TYR A 6 -1.470 -3.825 7.840 1.00 2.10 C ATOM 65 CE1 TYR A 6 -1.313 -5.936 9.686 1.00 1.52 C ATOM 66 CE2 TYR A 6 -2.605 -4.205 8.563 1.00 2.24 C ATOM 67 CZ TYR A 6 -2.508 -5.206 9.542 1.00 0.87 C ATOM 68 OH TYR A 6 -3.608 -5.510 10.279 1.00 1.14 O ATOM 0 H TYR A 6 1.836 -2.670 8.455 1.00 0.30 H new ATOM 0 HA TYR A 6 2.538 -5.428 7.631 1.00 0.21 H new ATOM 0 HB2 TYR A 6 0.586 -3.470 6.387 1.00 0.33 H new ATOM 0 HB3 TYR A 6 0.635 -5.211 6.190 1.00 0.33 H new ATOM 0 HD1 TYR A 6 0.715 -6.192 8.976 1.00 1.58 H new ATOM 0 HD2 TYR A 6 -1.508 -2.972 7.179 1.00 2.10 H new ATOM 0 HE1 TYR A 6 -1.252 -6.737 10.408 1.00 1.52 H new ATOM 0 HE2 TYR A 6 -3.555 -3.729 8.368 1.00 2.24 H new ATOM 0 HH TYR A 6 -4.008 -4.685 10.626 1.00 1.14 H new ATOM 78 N SER A 7 3.609 -4.693 5.359 1.00 0.18 N ATOM 79 CA SER A 7 4.313 -4.247 4.149 1.00 0.15 C ATOM 80 C SER A 7 4.005 -5.149 2.957 1.00 0.15 C ATOM 81 O SER A 7 3.663 -6.317 3.142 1.00 0.27 O ATOM 82 CB SER A 7 5.830 -4.231 4.429 1.00 0.31 C ATOM 83 OG SER A 7 6.558 -3.357 3.580 1.00 1.65 O ATOM 0 H SER A 7 3.566 -5.708 5.453 1.00 0.18 H new ATOM 0 HA SER A 7 3.970 -3.244 3.895 1.00 0.15 H new ATOM 0 HB2 SER A 7 5.996 -3.938 5.466 1.00 0.31 H new ATOM 0 HB3 SER A 7 6.222 -5.242 4.317 1.00 0.31 H new ATOM 0 HG SER A 7 5.933 -2.801 3.069 1.00 1.65 H new ATOM 89 N TRP A 8 4.144 -4.588 1.749 1.00 0.17 N ATOM 90 CA TRP A 8 4.108 -5.316 0.488 1.00 0.31 C ATOM 91 C TRP A 8 5.169 -4.742 -0.442 1.00 0.17 C ATOM 92 O TRP A 8 5.518 -3.560 -0.334 1.00 0.18 O ATOM 93 CB TRP A 8 2.725 -5.233 -0.176 1.00 0.58 C ATOM 94 CG TRP A 8 1.609 -5.537 0.757 1.00 0.50 C ATOM 95 CD1 TRP A 8 0.910 -6.678 0.901 1.00 0.45 C ATOM 96 CD2 TRP A 8 1.028 -4.690 1.757 1.00 0.43 C ATOM 97 NE1 TRP A 8 0.257 -6.629 2.128 1.00 0.33 N ATOM 98 CE2 TRP A 8 0.654 -5.495 2.843 1.00 0.32 C ATOM 99 CE3 TRP A 8 0.340 -3.467 1.753 1.00 0.46 C ATOM 100 CZ2 TRP A 8 0.262 -4.766 3.989 1.00 0.27 C ATOM 101 CZ3 TRP A 8 -0.883 -3.456 2.476 1.00 0.53 C ATOM 102 CH2 TRP A 8 -0.772 -3.855 3.795 1.00 0.37 C ATOM 0 H TRP A 8 4.288 -3.586 1.626 1.00 0.17 H new ATOM 0 HA TRP A 8 4.310 -6.368 0.688 1.00 0.31 H new ATOM 0 HB2 TRP A 8 2.585 -4.233 -0.586 1.00 0.58 H new ATOM 0 HB3 TRP A 8 2.689 -5.929 -1.014 1.00 0.58 H new ATOM 0 HD1 TRP A 8 0.864 -7.489 0.189 1.00 0.45 H new ATOM 0 HE1 TRP A 8 -0.415 -7.321 2.459 1.00 0.33 H new ATOM 0 HE3 TRP A 8 0.714 -2.595 1.237 1.00 0.46 H new ATOM 0 HZ2 TRP A 8 0.733 -4.907 4.951 1.00 0.27 H new ATOM 0 HZ3 TRP A 8 -1.822 -3.160 2.032 1.00 0.53 H new ATOM 0 HH2 TRP A 8 -1.416 -3.500 4.586 1.00 0.37 H new ATOM 113 N LYS A 9 5.625 -5.580 -1.375 1.00 0.22 N ATOM 114 CA LYS A 9 6.604 -5.225 -2.391 1.00 0.29 C ATOM 115 C LYS A 9 5.855 -4.879 -3.670 1.00 0.46 C ATOM 116 O LYS A 9 5.168 -5.740 -4.210 1.00 0.60 O ATOM 117 CB LYS A 9 7.577 -6.393 -2.596 1.00 0.42 C ATOM 118 CG LYS A 9 6.928 -7.703 -3.089 1.00 0.92 C ATOM 119 CD LYS A 9 7.541 -8.926 -2.401 1.00 0.76 C ATOM 120 CE LYS A 9 9.045 -9.062 -2.689 1.00 1.13 C ATOM 121 NZ LYS A 9 9.758 -9.621 -1.527 1.00 1.96 N ATOM 0 H LYS A 9 5.312 -6.549 -1.442 1.00 0.22 H new ATOM 0 HA LYS A 9 7.193 -4.361 -2.085 1.00 0.29 H new ATOM 0 HB2 LYS A 9 8.339 -6.090 -3.314 1.00 0.42 H new ATOM 0 HB3 LYS A 9 8.088 -6.590 -1.654 1.00 0.42 H new ATOM 0 HG2 LYS A 9 5.856 -7.675 -2.895 1.00 0.92 H new ATOM 0 HG3 LYS A 9 7.055 -7.790 -4.168 1.00 0.92 H new ATOM 0 HD2 LYS A 9 7.384 -8.852 -1.325 1.00 0.76 H new ATOM 0 HD3 LYS A 9 7.026 -9.826 -2.737 1.00 0.76 H new ATOM 0 HE2 LYS A 9 9.196 -9.705 -3.556 1.00 1.13 H new ATOM 0 HE3 LYS A 9 9.460 -8.086 -2.940 1.00 1.13 H new ATOM 0 HZ1 LYS A 9 10.684 -9.985 -1.830 1.00 1.96 H new ATOM 0 HZ2 LYS A 9 9.895 -8.877 -0.813 1.00 1.96 H new ATOM 0 HZ3 LYS A 9 9.199 -10.396 -1.117 1.00 1.96 H new ATOM 135 N VAL A 10 5.929 -3.628 -4.122 1.00 0.77 N ATOM 136 CA VAL A 10 5.189 -3.138 -5.286 1.00 0.96 C ATOM 137 C VAL A 10 6.108 -3.125 -6.515 1.00 0.99 C ATOM 138 O VAL A 10 7.316 -3.264 -6.368 1.00 1.50 O ATOM 139 CB VAL A 10 4.594 -1.749 -4.988 1.00 1.12 C ATOM 140 CG1 VAL A 10 3.476 -1.820 -3.946 1.00 2.06 C ATOM 141 CG2 VAL A 10 5.652 -0.756 -4.490 1.00 3.06 C ATOM 0 H VAL A 10 6.513 -2.915 -3.684 1.00 0.77 H new ATOM 0 HA VAL A 10 4.356 -3.806 -5.504 1.00 0.96 H new ATOM 0 HB VAL A 10 4.190 -1.397 -5.937 1.00 1.12 H new ATOM 0 HG11 VAL A 10 3.084 -0.819 -3.765 1.00 2.06 H new ATOM 0 HG12 VAL A 10 2.676 -2.462 -4.314 1.00 2.06 H new ATOM 0 HG13 VAL A 10 3.871 -2.229 -3.016 1.00 2.06 H new ATOM 0 HG21 VAL A 10 5.183 0.208 -4.294 1.00 3.06 H new ATOM 0 HG22 VAL A 10 6.102 -1.134 -3.572 1.00 3.06 H new ATOM 0 HG23 VAL A 10 6.424 -0.636 -5.250 1.00 3.06 H new ATOM 151 N SER A 11 5.544 -2.980 -7.724 1.00 1.28 N ATOM 152 CA SER A 11 6.313 -3.030 -8.976 1.00 1.11 C ATOM 153 C SER A 11 6.028 -1.863 -9.935 1.00 1.14 C ATOM 154 O SER A 11 6.909 -1.419 -10.663 1.00 2.40 O ATOM 155 CB SER A 11 6.151 -4.415 -9.619 1.00 1.45 C ATOM 156 OG SER A 11 7.069 -4.590 -10.679 1.00 2.01 O ATOM 0 H SER A 11 4.545 -2.825 -7.861 1.00 1.28 H new ATOM 0 HA SER A 11 7.365 -2.889 -8.729 1.00 1.11 H new ATOM 0 HB2 SER A 11 6.305 -5.189 -8.868 1.00 1.45 H new ATOM 0 HB3 SER A 11 5.133 -4.531 -9.991 1.00 1.45 H new ATOM 0 HG SER A 11 6.949 -5.479 -11.072 1.00 2.01 H new ATOM 162 N GLY A 12 4.818 -1.302 -9.898 1.00 1.48 N ATOM 163 CA GLY A 12 4.416 -0.174 -10.748 1.00 1.28 C ATOM 164 C GLY A 12 4.870 1.196 -10.200 1.00 1.10 C ATOM 165 O GLY A 12 4.415 2.264 -10.642 1.00 2.01 O ATOM 0 H GLY A 12 4.079 -1.620 -9.271 1.00 1.48 H new ATOM 0 HA2 GLY A 12 4.831 -0.314 -11.746 1.00 1.28 H new ATOM 0 HA3 GLY A 12 3.331 -0.175 -10.851 1.00 1.28 H new ATOM 169 N MET A 13 5.744 1.164 -9.191 1.00 0.60 N ATOM 170 CA MET A 13 6.196 2.312 -8.433 1.00 0.77 C ATOM 171 C MET A 13 7.389 2.954 -9.153 1.00 0.98 C ATOM 172 O MET A 13 8.486 2.408 -9.194 1.00 1.64 O ATOM 173 CB MET A 13 6.464 1.893 -6.970 1.00 1.34 C ATOM 174 CG MET A 13 7.835 1.280 -6.680 1.00 4.04 C ATOM 175 SD MET A 13 8.197 -0.291 -7.512 1.00 6.06 S ATOM 176 CE MET A 13 9.974 -0.139 -7.814 1.00 7.49 C ATOM 0 H MET A 13 6.170 0.293 -8.873 1.00 0.60 H new ATOM 0 HA MET A 13 5.430 3.086 -8.378 1.00 0.77 H new ATOM 0 HB2 MET A 13 6.340 2.770 -6.335 1.00 1.34 H new ATOM 0 HB3 MET A 13 5.699 1.175 -6.674 1.00 1.34 H new ATOM 0 HG2 MET A 13 8.601 2.002 -6.962 1.00 4.04 H new ATOM 0 HG3 MET A 13 7.922 1.127 -5.604 1.00 4.04 H new ATOM 0 HE1 MET A 13 10.375 -1.105 -8.122 1.00 7.49 H new ATOM 0 HE2 MET A 13 10.148 0.594 -8.602 1.00 7.49 H new ATOM 0 HE3 MET A 13 10.472 0.186 -6.900 1.00 7.49 H new ATOM 186 N ASP A 14 7.176 4.119 -9.754 1.00 0.68 N ATOM 187 CA ASP A 14 8.181 4.773 -10.584 1.00 0.83 C ATOM 188 C ASP A 14 7.932 6.284 -10.659 1.00 1.01 C ATOM 189 O ASP A 14 8.570 6.978 -11.451 1.00 1.65 O ATOM 190 CB ASP A 14 8.164 4.122 -11.978 1.00 0.86 C ATOM 191 CG ASP A 14 6.748 3.974 -12.528 1.00 1.10 C ATOM 192 OD1 ASP A 14 5.952 4.912 -12.313 1.00 1.32 O ATOM 193 OD2 ASP A 14 6.468 2.902 -13.106 1.00 1.81 O ATOM 0 H ASP A 14 6.301 4.637 -9.679 1.00 0.68 H new ATOM 0 HA ASP A 14 9.169 4.643 -10.142 1.00 0.83 H new ATOM 0 HB2 ASP A 14 8.758 4.724 -12.666 1.00 0.86 H new ATOM 0 HB3 ASP A 14 8.636 3.141 -11.925 1.00 0.86 H new ATOM 198 N CYS A 15 7.027 6.799 -9.818 1.00 0.62 N ATOM 199 CA CYS A 15 6.397 8.081 -10.013 1.00 0.91 C ATOM 200 C CYS A 15 5.994 8.613 -8.634 1.00 0.73 C ATOM 201 O CYS A 15 5.296 7.931 -7.886 1.00 0.55 O ATOM 202 CB CYS A 15 5.184 7.942 -10.971 1.00 1.29 C ATOM 203 SG CYS A 15 4.985 6.352 -11.882 1.00 1.99 S ATOM 0 H CYS A 15 6.717 6.318 -8.974 1.00 0.62 H new ATOM 0 HA CYS A 15 7.079 8.790 -10.482 1.00 0.91 H new ATOM 0 HB2 CYS A 15 4.277 8.111 -10.390 1.00 1.29 H new ATOM 0 HB3 CYS A 15 5.245 8.744 -11.707 1.00 1.29 H new ATOM 208 N ALA A 16 6.367 9.845 -8.280 1.00 0.78 N ATOM 209 CA ALA A 16 5.882 10.450 -7.039 1.00 0.71 C ATOM 210 C ALA A 16 4.349 10.576 -7.060 1.00 0.53 C ATOM 211 O ALA A 16 3.685 10.610 -6.021 1.00 0.46 O ATOM 212 CB ALA A 16 6.543 11.817 -6.844 1.00 0.85 C ATOM 0 H ALA A 16 6.994 10.435 -8.826 1.00 0.78 H new ATOM 0 HA ALA A 16 6.149 9.808 -6.199 1.00 0.71 H new ATOM 0 HB1 ALA A 16 6.182 12.267 -5.920 1.00 0.85 H new ATOM 0 HB2 ALA A 16 7.625 11.694 -6.789 1.00 0.85 H new ATOM 0 HB3 ALA A 16 6.294 12.465 -7.685 1.00 0.85 H new ATOM 218 N ALA A 17 3.776 10.656 -8.264 1.00 0.64 N ATOM 219 CA ALA A 17 2.343 10.569 -8.470 1.00 0.70 C ATOM 220 C ALA A 17 1.819 9.160 -8.168 1.00 0.68 C ATOM 221 O ALA A 17 0.699 9.038 -7.677 1.00 0.79 O ATOM 222 CB ALA A 17 2.005 10.992 -9.902 1.00 0.83 C ATOM 0 H ALA A 17 4.306 10.784 -9.126 1.00 0.64 H new ATOM 0 HA ALA A 17 1.847 11.247 -7.776 1.00 0.70 H new ATOM 0 HB1 ALA A 17 0.928 10.926 -10.056 1.00 0.83 H new ATOM 0 HB2 ALA A 17 2.333 12.019 -10.065 1.00 0.83 H new ATOM 0 HB3 ALA A 17 2.513 10.333 -10.606 1.00 0.83 H new ATOM 228 N CYS A 18 2.608 8.110 -8.437 1.00 0.70 N ATOM 229 CA CYS A 18 2.268 6.744 -8.066 1.00 0.76 C ATOM 230 C CYS A 18 2.258 6.685 -6.553 1.00 0.62 C ATOM 231 O CYS A 18 1.259 6.278 -5.978 1.00 0.70 O ATOM 232 CB CYS A 18 3.241 5.708 -8.657 1.00 0.95 C ATOM 233 SG CYS A 18 3.061 5.678 -10.459 1.00 1.36 S ATOM 0 H CYS A 18 3.502 8.193 -8.920 1.00 0.70 H new ATOM 0 HA CYS A 18 1.291 6.487 -8.476 1.00 0.76 H new ATOM 0 HB2 CYS A 18 4.267 5.960 -8.387 1.00 0.95 H new ATOM 0 HB3 CYS A 18 3.035 4.721 -8.243 1.00 0.95 H new ATOM 238 N ALA A 19 3.336 7.144 -5.907 1.00 0.48 N ATOM 239 CA ALA A 19 3.394 7.201 -4.450 1.00 0.49 C ATOM 240 C ALA A 19 2.104 7.790 -3.874 1.00 0.37 C ATOM 241 O ALA A 19 1.408 7.135 -3.096 1.00 0.40 O ATOM 242 CB ALA A 19 4.606 8.016 -4.004 1.00 0.52 C ATOM 0 H ALA A 19 4.178 7.480 -6.374 1.00 0.48 H new ATOM 0 HA ALA A 19 3.497 6.185 -4.069 1.00 0.49 H new ATOM 0 HB1 ALA A 19 4.639 8.052 -2.915 1.00 0.52 H new ATOM 0 HB2 ALA A 19 5.517 7.549 -4.380 1.00 0.52 H new ATOM 0 HB3 ALA A 19 4.528 9.029 -4.398 1.00 0.52 H new ATOM 248 N ARG A 20 1.757 9.008 -4.303 1.00 0.27 N ATOM 249 CA ARG A 20 0.575 9.678 -3.827 1.00 0.29 C ATOM 250 C ARG A 20 -0.700 8.906 -4.174 1.00 0.37 C ATOM 251 O ARG A 20 -1.568 8.733 -3.317 1.00 0.42 O ATOM 252 CB ARG A 20 0.559 11.103 -4.367 1.00 0.43 C ATOM 253 CG ARG A 20 1.269 12.048 -3.390 1.00 0.98 C ATOM 254 CD ARG A 20 1.018 13.505 -3.796 1.00 1.34 C ATOM 255 NE ARG A 20 2.162 14.371 -3.468 1.00 2.99 N ATOM 256 CZ ARG A 20 3.287 14.431 -4.198 1.00 4.87 C ATOM 257 NH1 ARG A 20 3.489 13.546 -5.183 1.00 5.76 N ATOM 258 NH2 ARG A 20 4.199 15.375 -3.944 1.00 6.31 N ATOM 0 H ARG A 20 2.294 9.542 -4.986 1.00 0.27 H new ATOM 0 HA ARG A 20 0.602 9.720 -2.738 1.00 0.29 H new ATOM 0 HB2 ARG A 20 1.051 11.137 -5.339 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -0.469 11.431 -4.519 1.00 0.43 H new ATOM 0 HG2 ARG A 20 0.906 11.876 -2.376 1.00 0.98 H new ATOM 0 HG3 ARG A 20 2.339 11.842 -3.385 1.00 0.98 H new ATOM 0 HD2 ARG A 20 0.820 13.555 -4.867 1.00 1.34 H new ATOM 0 HD3 ARG A 20 0.126 13.874 -3.290 1.00 1.34 H new ATOM 0 HE ARG A 20 2.096 14.960 -2.638 1.00 2.99 H new ATOM 0 HH11 ARG A 20 2.789 12.830 -5.376 1.00 5.76 H new ATOM 0 HH12 ARG A 20 4.343 13.589 -5.740 1.00 5.76 H new ATOM 0 HH21 ARG A 20 4.040 16.050 -3.196 1.00 6.31 H new ATOM 0 HH22 ARG A 20 5.054 15.421 -4.499 1.00 6.31 H new ATOM 272 N LYS A 21 -0.854 8.449 -5.421 1.00 0.40 N ATOM 273 CA LYS A 21 -2.049 7.726 -5.818 1.00 0.46 C ATOM 274 C LYS A 21 -2.220 6.481 -4.953 1.00 0.38 C ATOM 275 O LYS A 21 -3.325 6.190 -4.508 1.00 0.38 O ATOM 276 CB LYS A 21 -1.975 7.335 -7.299 1.00 0.64 C ATOM 277 CG LYS A 21 -2.552 8.396 -8.249 1.00 1.15 C ATOM 278 CD LYS A 21 -3.237 7.686 -9.427 1.00 1.48 C ATOM 279 CE LYS A 21 -3.860 8.663 -10.437 1.00 2.08 C ATOM 280 NZ LYS A 21 -2.983 8.904 -11.603 1.00 3.33 N ATOM 0 H LYS A 21 -0.165 8.570 -6.164 1.00 0.40 H new ATOM 0 HA LYS A 21 -2.911 8.377 -5.676 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -0.934 7.150 -7.565 1.00 0.64 H new ATOM 0 HB3 LYS A 21 -2.513 6.398 -7.445 1.00 0.64 H new ATOM 0 HG2 LYS A 21 -3.267 9.026 -7.721 1.00 1.15 H new ATOM 0 HG3 LYS A 21 -1.758 9.049 -8.612 1.00 1.15 H new ATOM 0 HD2 LYS A 21 -2.508 7.058 -9.939 1.00 1.48 H new ATOM 0 HD3 LYS A 21 -4.014 7.024 -9.043 1.00 1.48 H new ATOM 0 HE2 LYS A 21 -4.815 8.266 -10.780 1.00 2.08 H new ATOM 0 HE3 LYS A 21 -4.068 9.611 -9.941 1.00 2.08 H new ATOM 0 HZ1 LYS A 21 -3.447 9.569 -12.255 1.00 3.33 H new ATOM 0 HZ2 LYS A 21 -2.080 9.308 -11.281 1.00 3.33 H new ATOM 0 HZ3 LYS A 21 -2.804 8.005 -12.095 1.00 3.33 H new ATOM 294 N VAL A 22 -1.137 5.743 -4.728 1.00 0.36 N ATOM 295 CA VAL A 22 -1.141 4.520 -3.961 1.00 0.36 C ATOM 296 C VAL A 22 -1.519 4.850 -2.522 1.00 0.30 C ATOM 297 O VAL A 22 -2.446 4.252 -1.978 1.00 0.31 O ATOM 298 CB VAL A 22 0.237 3.852 -4.082 1.00 0.36 C ATOM 299 CG1 VAL A 22 0.362 2.639 -3.161 1.00 0.42 C ATOM 300 CG2 VAL A 22 0.471 3.346 -5.509 1.00 0.53 C ATOM 0 H VAL A 22 -0.215 5.992 -5.086 1.00 0.36 H new ATOM 0 HA VAL A 22 -1.877 3.810 -4.338 1.00 0.36 H new ATOM 0 HB VAL A 22 0.968 4.612 -3.806 1.00 0.36 H new ATOM 0 HG11 VAL A 22 1.351 2.195 -3.276 1.00 0.42 H new ATOM 0 HG12 VAL A 22 0.223 2.952 -2.126 1.00 0.42 H new ATOM 0 HG13 VAL A 22 -0.399 1.904 -3.423 1.00 0.42 H new ATOM 0 HG21 VAL A 22 1.453 2.877 -5.572 1.00 0.53 H new ATOM 0 HG22 VAL A 22 -0.297 2.617 -5.767 1.00 0.53 H new ATOM 0 HG23 VAL A 22 0.424 4.184 -6.204 1.00 0.53 H new ATOM 310 N GLU A 23 -0.833 5.810 -1.895 1.00 0.27 N ATOM 311 CA GLU A 23 -1.083 6.079 -0.489 1.00 0.28 C ATOM 312 C GLU A 23 -2.523 6.560 -0.308 1.00 0.26 C ATOM 313 O GLU A 23 -3.167 6.220 0.674 1.00 0.26 O ATOM 314 CB GLU A 23 -0.036 7.025 0.117 1.00 0.38 C ATOM 315 CG GLU A 23 -0.278 8.485 -0.252 1.00 0.38 C ATOM 316 CD GLU A 23 0.772 9.410 0.343 1.00 0.66 C ATOM 317 OE1 GLU A 23 0.553 9.825 1.501 1.00 1.65 O ATOM 318 OE2 GLU A 23 1.755 9.694 -0.371 1.00 1.84 O ATOM 0 H GLU A 23 -0.120 6.396 -2.330 1.00 0.27 H new ATOM 0 HA GLU A 23 -0.974 5.153 0.076 1.00 0.28 H new ATOM 0 HB2 GLU A 23 -0.045 6.923 1.202 1.00 0.38 H new ATOM 0 HB3 GLU A 23 0.956 6.728 -0.223 1.00 0.38 H new ATOM 0 HG2 GLU A 23 -0.278 8.588 -1.337 1.00 0.38 H new ATOM 0 HG3 GLU A 23 -1.265 8.787 0.097 1.00 0.38 H new ATOM 325 N ASN A 24 -3.049 7.310 -1.277 1.00 0.32 N ATOM 326 CA ASN A 24 -4.437 7.746 -1.286 1.00 0.37 C ATOM 327 C ASN A 24 -5.383 6.558 -1.473 1.00 0.37 C ATOM 328 O ASN A 24 -6.369 6.437 -0.743 1.00 0.42 O ATOM 329 CB ASN A 24 -4.651 8.798 -2.378 1.00 0.44 C ATOM 330 CG ASN A 24 -4.314 10.198 -1.875 1.00 1.42 C ATOM 331 OD1 ASN A 24 -5.201 10.965 -1.517 1.00 2.17 O ATOM 332 ND2 ASN A 24 -3.031 10.543 -1.822 1.00 2.79 N ATOM 0 H ASN A 24 -2.514 7.633 -2.084 1.00 0.32 H new ATOM 0 HA ASN A 24 -4.665 8.199 -0.321 1.00 0.37 H new ATOM 0 HB2 ASN A 24 -4.029 8.560 -3.241 1.00 0.44 H new ATOM 0 HB3 ASN A 24 -5.687 8.770 -2.714 1.00 0.44 H new ATOM 0 HD21 ASN A 24 -2.765 11.465 -1.477 1.00 2.79 H new ATOM 0 HD22 ASN A 24 -2.313 9.885 -2.126 1.00 2.79 H new ATOM 339 N ALA A 25 -5.102 5.700 -2.460 1.00 0.37 N ATOM 340 CA ALA A 25 -5.867 4.494 -2.766 1.00 0.41 C ATOM 341 C ALA A 25 -6.006 3.619 -1.525 1.00 0.32 C ATOM 342 O ALA A 25 -7.054 3.022 -1.293 1.00 0.35 O ATOM 343 CB ALA A 25 -5.206 3.710 -3.902 1.00 0.52 C ATOM 0 H ALA A 25 -4.308 5.834 -3.087 1.00 0.37 H new ATOM 0 HA ALA A 25 -6.864 4.794 -3.090 1.00 0.41 H new ATOM 0 HB1 ALA A 25 -5.791 2.815 -4.115 1.00 0.52 H new ATOM 0 HB2 ALA A 25 -5.158 4.333 -4.795 1.00 0.52 H new ATOM 0 HB3 ALA A 25 -4.197 3.422 -3.606 1.00 0.52 H new ATOM 349 N VAL A 26 -4.942 3.554 -0.727 1.00 0.26 N ATOM 350 CA VAL A 26 -4.948 2.837 0.531 1.00 0.28 C ATOM 351 C VAL A 26 -5.665 3.638 1.619 1.00 0.25 C ATOM 352 O VAL A 26 -6.598 3.146 2.249 1.00 0.27 O ATOM 353 CB VAL A 26 -3.501 2.492 0.904 1.00 0.47 C ATOM 354 CG1 VAL A 26 -3.445 1.844 2.286 1.00 2.15 C ATOM 355 CG2 VAL A 26 -2.948 1.527 -0.147 1.00 1.77 C ATOM 0 H VAL A 26 -4.051 4.002 -0.943 1.00 0.26 H new ATOM 0 HA VAL A 26 -5.509 1.908 0.431 1.00 0.28 H new ATOM 0 HB VAL A 26 -2.903 3.403 0.932 1.00 0.47 H new ATOM 0 HG11 VAL A 26 -2.411 1.606 2.535 1.00 2.15 H new ATOM 0 HG12 VAL A 26 -3.847 2.534 3.028 1.00 2.15 H new ATOM 0 HG13 VAL A 26 -4.037 0.929 2.283 1.00 2.15 H new ATOM 0 HG21 VAL A 26 -1.918 1.270 0.101 1.00 1.77 H new ATOM 0 HG22 VAL A 26 -3.554 0.621 -0.164 1.00 1.77 H new ATOM 0 HG23 VAL A 26 -2.977 2.002 -1.128 1.00 1.77 H new ATOM 365 N ARG A 27 -5.223 4.868 1.869 1.00 0.25 N ATOM 366 CA ARG A 27 -5.652 5.659 3.015 1.00 0.28 C ATOM 367 C ARG A 27 -7.170 5.820 3.035 1.00 0.33 C ATOM 368 O ARG A 27 -7.782 5.806 4.099 1.00 0.35 O ATOM 369 CB ARG A 27 -4.933 7.012 3.008 1.00 0.29 C ATOM 370 CG ARG A 27 -5.352 7.884 4.196 1.00 0.32 C ATOM 371 CD ARG A 27 -4.468 9.133 4.261 1.00 0.40 C ATOM 372 NE ARG A 27 -5.024 10.111 5.207 1.00 0.65 N ATOM 373 CZ ARG A 27 -4.563 11.361 5.368 1.00 1.15 C ATOM 374 NH1 ARG A 27 -3.444 11.741 4.743 1.00 1.73 N ATOM 375 NH2 ARG A 27 -5.231 12.221 6.145 1.00 1.46 N ATOM 0 H ARG A 27 -4.548 5.348 1.273 1.00 0.25 H new ATOM 0 HA ARG A 27 -5.380 5.134 3.931 1.00 0.28 H new ATOM 0 HB2 ARG A 27 -3.855 6.851 3.037 1.00 0.29 H new ATOM 0 HB3 ARG A 27 -5.152 7.536 2.077 1.00 0.29 H new ATOM 0 HG2 ARG A 27 -6.398 8.173 4.096 1.00 0.32 H new ATOM 0 HG3 ARG A 27 -5.265 7.317 5.123 1.00 0.32 H new ATOM 0 HD2 ARG A 27 -3.459 8.856 4.567 1.00 0.40 H new ATOM 0 HD3 ARG A 27 -4.389 9.581 3.271 1.00 0.40 H new ATOM 0 HE ARG A 27 -5.815 9.819 5.781 1.00 0.65 H new ATOM 0 HH11 ARG A 27 -2.944 11.082 4.146 1.00 1.73 H new ATOM 0 HH12 ARG A 27 -3.090 12.690 4.863 1.00 1.73 H new ATOM 0 HH21 ARG A 27 -6.088 11.926 6.613 1.00 1.46 H new ATOM 0 HH22 ARG A 27 -4.883 13.172 6.270 1.00 1.46 H new ATOM 389 N GLN A 28 -7.777 5.960 1.856 1.00 0.39 N ATOM 390 CA GLN A 28 -9.219 6.113 1.736 1.00 0.46 C ATOM 391 C GLN A 28 -10.021 4.927 2.286 1.00 0.45 C ATOM 392 O GLN A 28 -11.225 5.074 2.472 1.00 0.51 O ATOM 393 CB GLN A 28 -9.602 6.459 0.297 1.00 0.58 C ATOM 394 CG GLN A 28 -9.350 5.266 -0.619 1.00 0.50 C ATOM 395 CD GLN A 28 -9.467 5.657 -2.086 1.00 0.70 C ATOM 396 OE1 GLN A 28 -10.340 5.188 -2.806 1.00 0.88 O ATOM 397 NE2 GLN A 28 -8.577 6.537 -2.534 1.00 0.86 N ATOM 0 H GLN A 28 -7.282 5.970 0.964 1.00 0.39 H new ATOM 0 HA GLN A 28 -9.498 6.949 2.377 1.00 0.46 H new ATOM 0 HB2 GLN A 28 -10.653 6.745 0.252 1.00 0.58 H new ATOM 0 HB3 GLN A 28 -9.023 7.317 -0.044 1.00 0.58 H new ATOM 0 HG2 GLN A 28 -8.356 4.861 -0.427 1.00 0.50 H new ATOM 0 HG3 GLN A 28 -10.065 4.475 -0.394 1.00 0.50 H new ATOM 0 HE21 GLN A 28 -7.864 6.906 -1.905 1.00 0.86 H new ATOM 0 HE22 GLN A 28 -8.607 6.843 -3.507 1.00 0.86 H new ATOM 406 N LEU A 29 -9.410 3.749 2.481 1.00 0.40 N ATOM 407 CA LEU A 29 -10.155 2.538 2.796 1.00 0.46 C ATOM 408 C LEU A 29 -10.952 2.673 4.098 1.00 0.47 C ATOM 409 O LEU A 29 -12.179 2.718 4.048 1.00 0.54 O ATOM 410 CB LEU A 29 -9.198 1.339 2.814 1.00 0.45 C ATOM 411 CG LEU A 29 -8.632 1.039 1.414 1.00 0.50 C ATOM 412 CD1 LEU A 29 -7.483 0.037 1.538 1.00 0.50 C ATOM 413 CD2 LEU A 29 -9.711 0.482 0.484 1.00 0.64 C ATOM 0 H LEU A 29 -8.400 3.617 2.424 1.00 0.40 H new ATOM 0 HA LEU A 29 -10.898 2.371 2.017 1.00 0.46 H new ATOM 0 HB2 LEU A 29 -8.377 1.539 3.503 1.00 0.45 H new ATOM 0 HB3 LEU A 29 -9.723 0.461 3.190 1.00 0.45 H new ATOM 0 HG LEU A 29 -8.268 1.971 0.982 1.00 0.50 H new ATOM 0 HD11 LEU A 29 -7.079 -0.178 0.549 1.00 0.50 H new ATOM 0 HD12 LEU A 29 -6.698 0.459 2.166 1.00 0.50 H new ATOM 0 HD13 LEU A 29 -7.851 -0.885 1.988 1.00 0.50 H new ATOM 0 HD21 LEU A 29 -9.278 0.281 -0.496 1.00 0.64 H new ATOM 0 HD22 LEU A 29 -10.109 -0.443 0.901 1.00 0.64 H new ATOM 0 HD23 LEU A 29 -10.516 1.210 0.383 1.00 0.64 H new ATOM 425 N ALA A 30 -10.261 2.697 5.246 1.00 0.43 N ATOM 426 CA ALA A 30 -10.796 2.822 6.600 1.00 0.48 C ATOM 427 C ALA A 30 -9.755 2.340 7.616 1.00 0.46 C ATOM 428 O ALA A 30 -9.264 3.119 8.423 1.00 0.42 O ATOM 429 CB ALA A 30 -12.063 1.985 6.759 1.00 0.58 C ATOM 0 H ALA A 30 -9.244 2.624 5.248 1.00 0.43 H new ATOM 0 HA ALA A 30 -11.034 3.871 6.776 1.00 0.48 H new ATOM 0 HB1 ALA A 30 -12.445 2.092 7.774 1.00 0.58 H new ATOM 0 HB2 ALA A 30 -12.817 2.327 6.050 1.00 0.58 H new ATOM 0 HB3 ALA A 30 -11.833 0.937 6.567 1.00 0.58 H new ATOM 435 N GLY A 31 -9.443 1.040 7.564 1.00 0.53 N ATOM 436 CA GLY A 31 -8.526 0.337 8.460 1.00 0.56 C ATOM 437 C GLY A 31 -7.259 1.112 8.795 1.00 0.46 C ATOM 438 O GLY A 31 -6.817 1.165 9.941 1.00 0.54 O ATOM 0 H GLY A 31 -9.845 0.421 6.860 1.00 0.53 H new ATOM 0 HA2 GLY A 31 -9.050 0.103 9.387 1.00 0.56 H new ATOM 0 HA3 GLY A 31 -8.247 -0.612 8.003 1.00 0.56 H new ATOM 442 N VAL A 32 -6.611 1.583 7.735 1.00 0.34 N ATOM 443 CA VAL A 32 -5.295 2.170 7.766 1.00 0.28 C ATOM 444 C VAL A 32 -5.283 3.460 8.583 1.00 0.31 C ATOM 445 O VAL A 32 -6.073 4.364 8.321 1.00 0.35 O ATOM 446 CB VAL A 32 -4.769 2.313 6.331 1.00 0.24 C ATOM 447 CG1 VAL A 32 -5.851 2.528 5.280 1.00 0.26 C ATOM 448 CG2 VAL A 32 -3.736 3.424 6.174 1.00 0.30 C ATOM 0 H VAL A 32 -7.013 1.561 6.798 1.00 0.34 H new ATOM 0 HA VAL A 32 -4.599 1.513 8.287 1.00 0.28 H new ATOM 0 HB VAL A 32 -4.301 1.345 6.154 1.00 0.24 H new ATOM 0 HG11 VAL A 32 -5.390 2.618 4.296 1.00 0.26 H new ATOM 0 HG12 VAL A 32 -6.535 1.680 5.283 1.00 0.26 H new ATOM 0 HG13 VAL A 32 -6.403 3.440 5.507 1.00 0.26 H new ATOM 0 HG21 VAL A 32 -3.406 3.470 5.136 1.00 0.30 H new ATOM 0 HG22 VAL A 32 -4.182 4.378 6.456 1.00 0.30 H new ATOM 0 HG23 VAL A 32 -2.880 3.219 6.818 1.00 0.30 H new ATOM 458 N ASN A 33 -4.329 3.571 9.513 1.00 0.32 N ATOM 459 CA ASN A 33 -4.132 4.800 10.274 1.00 0.34 C ATOM 460 C ASN A 33 -3.099 5.631 9.525 1.00 0.41 C ATOM 461 O ASN A 33 -3.346 6.791 9.201 1.00 0.51 O ATOM 462 CB ASN A 33 -3.556 4.558 11.679 1.00 0.34 C ATOM 463 CG ASN A 33 -4.172 3.434 12.493 1.00 0.75 C ATOM 464 OD1 ASN A 33 -5.221 3.590 13.108 1.00 1.18 O ATOM 465 ND2 ASN A 33 -3.440 2.333 12.569 1.00 1.16 N ATOM 0 H ASN A 33 -3.682 2.820 9.754 1.00 0.32 H new ATOM 0 HA ASN A 33 -5.104 5.281 10.380 1.00 0.34 H new ATOM 0 HB2 ASN A 33 -2.489 4.358 11.578 1.00 0.34 H new ATOM 0 HB3 ASN A 33 -3.654 5.482 12.249 1.00 0.34 H new ATOM 0 HD21 ASN A 33 -3.742 1.560 13.162 1.00 1.16 H new ATOM 0 HD22 ASN A 33 -2.575 2.258 12.034 1.00 1.16 H new ATOM 472 N GLN A 34 -1.929 5.032 9.273 1.00 0.40 N ATOM 473 CA GLN A 34 -0.790 5.702 8.671 1.00 0.39 C ATOM 474 C GLN A 34 -0.329 4.879 7.473 1.00 0.32 C ATOM 475 O GLN A 34 -0.185 3.659 7.559 1.00 0.42 O ATOM 476 CB GLN A 34 0.313 5.884 9.725 1.00 0.42 C ATOM 477 CG GLN A 34 1.553 6.625 9.202 1.00 0.42 C ATOM 478 CD GLN A 34 1.219 8.040 8.740 1.00 0.81 C ATOM 479 OE1 GLN A 34 0.801 8.874 9.536 1.00 1.15 O ATOM 480 NE2 GLN A 34 1.382 8.329 7.453 1.00 2.62 N ATOM 0 H GLN A 34 -1.753 4.051 9.489 1.00 0.40 H new ATOM 0 HA GLN A 34 -1.056 6.698 8.316 1.00 0.39 H new ATOM 0 HB2 GLN A 34 -0.095 6.432 10.574 1.00 0.42 H new ATOM 0 HB3 GLN A 34 0.615 4.904 10.094 1.00 0.42 H new ATOM 0 HG2 GLN A 34 2.308 6.668 9.987 1.00 0.42 H new ATOM 0 HG3 GLN A 34 1.987 6.066 8.373 1.00 0.42 H new ATOM 0 HE21 GLN A 34 1.731 7.618 6.811 1.00 2.62 H new ATOM 0 HE22 GLN A 34 1.158 9.262 7.107 1.00 2.62 H new ATOM 489 N VAL A 35 -0.112 5.569 6.354 1.00 0.31 N ATOM 490 CA VAL A 35 0.456 5.037 5.137 1.00 0.30 C ATOM 491 C VAL A 35 1.942 5.384 5.117 1.00 0.27 C ATOM 492 O VAL A 35 2.327 6.460 5.578 1.00 0.45 O ATOM 493 CB VAL A 35 -0.264 5.658 3.927 1.00 0.63 C ATOM 494 CG1 VAL A 35 -1.610 4.972 3.695 1.00 1.57 C ATOM 495 CG2 VAL A 35 -0.492 7.177 4.036 1.00 2.24 C ATOM 0 H VAL A 35 -0.342 6.560 6.278 1.00 0.31 H new ATOM 0 HA VAL A 35 0.334 3.955 5.090 1.00 0.30 H new ATOM 0 HB VAL A 35 0.407 5.498 3.083 1.00 0.63 H new ATOM 0 HG11 VAL A 35 -2.105 5.424 2.836 1.00 1.57 H new ATOM 0 HG12 VAL A 35 -1.450 3.911 3.505 1.00 1.57 H new ATOM 0 HG13 VAL A 35 -2.236 5.091 4.579 1.00 1.57 H new ATOM 0 HG21 VAL A 35 -1.005 7.533 3.142 1.00 2.24 H new ATOM 0 HG22 VAL A 35 -1.102 7.391 4.914 1.00 2.24 H new ATOM 0 HG23 VAL A 35 0.469 7.683 4.129 1.00 2.24 H new ATOM 505 N GLN A 36 2.771 4.492 4.575 1.00 0.24 N ATOM 506 CA GLN A 36 4.166 4.769 4.286 1.00 0.34 C ATOM 507 C GLN A 36 4.496 4.069 2.967 1.00 0.30 C ATOM 508 O GLN A 36 4.925 2.915 2.950 1.00 0.28 O ATOM 509 CB GLN A 36 5.032 4.307 5.464 1.00 0.41 C ATOM 510 CG GLN A 36 6.508 4.679 5.274 1.00 0.55 C ATOM 511 CD GLN A 36 7.356 4.293 6.479 1.00 0.84 C ATOM 512 OE1 GLN A 36 8.081 5.116 7.028 1.00 1.84 O ATOM 513 NE2 GLN A 36 7.282 3.037 6.903 1.00 0.70 N ATOM 0 H GLN A 36 2.483 3.546 4.323 1.00 0.24 H new ATOM 0 HA GLN A 36 4.368 5.834 4.168 1.00 0.34 H new ATOM 0 HB2 GLN A 36 4.661 4.757 6.385 1.00 0.41 H new ATOM 0 HB3 GLN A 36 4.942 3.227 5.578 1.00 0.41 H new ATOM 0 HG2 GLN A 36 6.895 4.182 4.385 1.00 0.55 H new ATOM 0 HG3 GLN A 36 6.592 5.752 5.101 1.00 0.55 H new ATOM 0 HE21 GLN A 36 6.671 2.373 6.427 1.00 0.70 H new ATOM 0 HE22 GLN A 36 7.837 2.736 7.704 1.00 0.70 H new ATOM 522 N VAL A 37 4.256 4.766 1.854 1.00 0.33 N ATOM 523 CA VAL A 37 4.481 4.255 0.512 1.00 0.30 C ATOM 524 C VAL A 37 5.820 4.785 0.015 1.00 0.31 C ATOM 525 O VAL A 37 5.917 5.943 -0.390 1.00 0.40 O ATOM 526 CB VAL A 37 3.319 4.653 -0.409 1.00 0.47 C ATOM 527 CG1 VAL A 37 3.567 4.137 -1.832 1.00 2.21 C ATOM 528 CG2 VAL A 37 2.004 4.060 0.113 1.00 2.10 C ATOM 0 H VAL A 37 3.893 5.719 1.867 1.00 0.33 H new ATOM 0 HA VAL A 37 4.518 3.166 0.515 1.00 0.30 H new ATOM 0 HB VAL A 37 3.251 5.741 -0.423 1.00 0.47 H new ATOM 0 HG11 VAL A 37 2.735 4.426 -2.474 1.00 2.21 H new ATOM 0 HG12 VAL A 37 4.491 4.567 -2.219 1.00 2.21 H new ATOM 0 HG13 VAL A 37 3.651 3.050 -1.815 1.00 2.21 H new ATOM 0 HG21 VAL A 37 1.187 4.349 -0.548 1.00 2.10 H new ATOM 0 HG22 VAL A 37 2.081 2.973 0.141 1.00 2.10 H new ATOM 0 HG23 VAL A 37 1.809 4.436 1.117 1.00 2.10 H new ATOM 538 N LEU A 38 6.854 3.943 0.037 1.00 0.32 N ATOM 539 CA LEU A 38 8.179 4.311 -0.406 1.00 0.34 C ATOM 540 C LEU A 38 8.361 3.783 -1.829 1.00 0.33 C ATOM 541 O LEU A 38 8.900 2.696 -2.060 1.00 0.33 O ATOM 542 CB LEU A 38 9.206 3.780 0.598 1.00 0.34 C ATOM 543 CG LEU A 38 10.631 4.207 0.235 1.00 0.39 C ATOM 544 CD1 LEU A 38 10.819 5.727 0.221 1.00 0.50 C ATOM 545 CD2 LEU A 38 11.611 3.577 1.230 1.00 0.47 C ATOM 0 H LEU A 38 6.784 2.981 0.367 1.00 0.32 H new ATOM 0 HA LEU A 38 8.324 5.391 -0.442 1.00 0.34 H new ATOM 0 HB2 LEU A 38 8.961 4.144 1.596 1.00 0.34 H new ATOM 0 HB3 LEU A 38 9.151 2.692 0.633 1.00 0.34 H new ATOM 0 HG LEU A 38 10.825 3.858 -0.779 1.00 0.39 H new ATOM 0 HD11 LEU A 38 11.850 5.964 -0.043 1.00 0.50 H new ATOM 0 HD12 LEU A 38 10.145 6.170 -0.512 1.00 0.50 H new ATOM 0 HD13 LEU A 38 10.596 6.130 1.209 1.00 0.50 H new ATOM 0 HD21 LEU A 38 12.628 3.877 0.978 1.00 0.47 H new ATOM 0 HD22 LEU A 38 11.373 3.915 2.239 1.00 0.47 H new ATOM 0 HD23 LEU A 38 11.530 2.491 1.182 1.00 0.47 H new ATOM 557 N PHE A 39 7.882 4.581 -2.786 1.00 0.37 N ATOM 558 CA PHE A 39 8.135 4.347 -4.199 1.00 0.40 C ATOM 559 C PHE A 39 9.636 4.448 -4.487 1.00 0.48 C ATOM 560 O PHE A 39 10.412 4.852 -3.621 1.00 0.49 O ATOM 561 CB PHE A 39 7.310 5.311 -5.062 1.00 0.39 C ATOM 562 CG PHE A 39 7.967 6.640 -5.381 1.00 0.26 C ATOM 563 CD1 PHE A 39 8.132 7.618 -4.382 1.00 1.72 C ATOM 564 CD2 PHE A 39 8.445 6.887 -6.682 1.00 1.80 C ATOM 565 CE1 PHE A 39 8.694 8.865 -4.705 1.00 1.75 C ATOM 566 CE2 PHE A 39 9.017 8.129 -7.002 1.00 1.85 C ATOM 567 CZ PHE A 39 9.120 9.125 -6.019 1.00 0.61 C ATOM 0 H PHE A 39 7.310 5.404 -2.598 1.00 0.37 H new ATOM 0 HA PHE A 39 7.818 3.337 -4.460 1.00 0.40 H new ATOM 0 HB2 PHE A 39 7.069 4.812 -6.001 1.00 0.39 H new ATOM 0 HB3 PHE A 39 6.366 5.507 -4.553 1.00 0.39 H new ATOM 0 HD1 PHE A 39 7.827 7.410 -3.367 1.00 1.72 H new ATOM 0 HD2 PHE A 39 8.371 6.118 -7.437 1.00 1.80 H new ATOM 0 HE1 PHE A 39 8.799 9.624 -3.943 1.00 1.75 H new ATOM 0 HE2 PHE A 39 9.377 8.317 -8.003 1.00 1.85 H new ATOM 0 HZ PHE A 39 9.527 10.093 -6.272 1.00 0.61 H new ATOM 577 N ALA A 40 10.043 4.053 -5.696 1.00 0.57 N ATOM 578 CA ALA A 40 11.434 3.881 -6.099 1.00 0.59 C ATOM 579 C ALA A 40 12.071 2.711 -5.341 1.00 0.55 C ATOM 580 O ALA A 40 12.440 1.717 -5.955 1.00 0.62 O ATOM 581 CB ALA A 40 12.233 5.187 -5.995 1.00 0.66 C ATOM 0 H ALA A 40 9.386 3.837 -6.446 1.00 0.57 H new ATOM 0 HA ALA A 40 11.456 3.621 -7.157 1.00 0.59 H new ATOM 0 HB1 ALA A 40 13.263 5.009 -6.305 1.00 0.66 H new ATOM 0 HB2 ALA A 40 11.784 5.941 -6.642 1.00 0.66 H new ATOM 0 HB3 ALA A 40 12.221 5.540 -4.964 1.00 0.66 H new ATOM 587 N THR A 41 12.116 2.764 -4.007 1.00 0.58 N ATOM 588 CA THR A 41 12.609 1.687 -3.152 1.00 0.62 C ATOM 589 C THR A 41 11.601 0.531 -2.997 1.00 0.67 C ATOM 590 O THR A 41 11.696 -0.239 -2.045 1.00 1.01 O ATOM 591 CB THR A 41 13.000 2.276 -1.785 1.00 0.72 C ATOM 592 OG1 THR A 41 13.292 3.657 -1.904 1.00 1.18 O ATOM 593 CG2 THR A 41 14.215 1.580 -1.169 1.00 1.03 C ATOM 0 H THR A 41 11.802 3.579 -3.481 1.00 0.58 H new ATOM 0 HA THR A 41 13.484 1.248 -3.631 1.00 0.62 H new ATOM 0 HB THR A 41 12.143 2.118 -1.131 1.00 0.72 H new ATOM 0 HG1 THR A 41 13.537 4.016 -1.026 1.00 1.18 H new ATOM 0 HG21 THR A 41 14.446 2.036 -0.206 1.00 1.03 H new ATOM 0 HG22 THR A 41 13.995 0.522 -1.026 1.00 1.03 H new ATOM 0 HG23 THR A 41 15.071 1.685 -1.835 1.00 1.03 H new ATOM 601 N GLU A 42 10.663 0.388 -3.940 1.00 0.58 N ATOM 602 CA GLU A 42 9.923 -0.840 -4.188 1.00 0.72 C ATOM 603 C GLU A 42 9.072 -1.320 -3.006 1.00 0.52 C ATOM 604 O GLU A 42 8.754 -2.507 -2.949 1.00 0.57 O ATOM 605 CB GLU A 42 10.924 -1.912 -4.676 1.00 1.28 C ATOM 606 CG GLU A 42 10.313 -3.041 -5.522 1.00 1.33 C ATOM 607 CD GLU A 42 11.349 -4.097 -5.884 1.00 2.55 C ATOM 608 OE1 GLU A 42 12.370 -3.700 -6.485 1.00 3.13 O ATOM 609 OE2 GLU A 42 11.109 -5.277 -5.547 1.00 3.67 O ATOM 0 H GLU A 42 10.395 1.148 -4.565 1.00 0.58 H new ATOM 0 HA GLU A 42 9.181 -0.639 -4.960 1.00 0.72 H new ATOM 0 HB2 GLU A 42 11.701 -1.421 -5.262 1.00 1.28 H new ATOM 0 HB3 GLU A 42 11.411 -2.354 -3.807 1.00 1.28 H new ATOM 0 HG2 GLU A 42 9.496 -3.507 -4.972 1.00 1.33 H new ATOM 0 HG3 GLU A 42 9.886 -2.623 -6.433 1.00 1.33 H new ATOM 616 N LYS A 43 8.634 -0.454 -2.075 1.00 0.38 N ATOM 617 CA LYS A 43 7.830 -0.981 -0.983 1.00 0.30 C ATOM 618 C LYS A 43 6.824 -0.019 -0.387 1.00 0.28 C ATOM 619 O LYS A 43 7.026 1.192 -0.321 1.00 0.42 O ATOM 620 CB LYS A 43 8.693 -1.684 0.069 1.00 0.40 C ATOM 621 CG LYS A 43 9.339 -0.819 1.141 1.00 0.97 C ATOM 622 CD LYS A 43 8.364 -0.419 2.249 1.00 0.69 C ATOM 623 CE LYS A 43 8.978 -0.700 3.625 1.00 1.25 C ATOM 624 NZ LYS A 43 8.961 -2.154 3.917 1.00 2.61 N ATOM 0 H LYS A 43 8.813 0.550 -2.060 1.00 0.38 H new ATOM 0 HA LYS A 43 7.196 -1.737 -1.446 1.00 0.30 H new ATOM 0 HB2 LYS A 43 8.074 -2.430 0.567 1.00 0.40 H new ATOM 0 HB3 LYS A 43 9.485 -2.222 -0.451 1.00 0.40 H new ATOM 0 HG2 LYS A 43 10.178 -1.359 1.580 1.00 0.97 H new ATOM 0 HG3 LYS A 43 9.745 0.081 0.679 1.00 0.97 H new ATOM 0 HD2 LYS A 43 8.119 0.639 2.162 1.00 0.69 H new ATOM 0 HD3 LYS A 43 7.431 -0.973 2.139 1.00 0.69 H new ATOM 0 HE2 LYS A 43 10.003 -0.330 3.654 1.00 1.25 H new ATOM 0 HE3 LYS A 43 8.423 -0.163 4.394 1.00 1.25 H new ATOM 0 HZ1 LYS A 43 9.154 -2.307 4.927 1.00 2.61 H new ATOM 0 HZ2 LYS A 43 8.027 -2.545 3.680 1.00 2.61 H new ATOM 0 HZ3 LYS A 43 9.690 -2.631 3.349 1.00 2.61 H new ATOM 638 N LEU A 44 5.735 -0.612 0.090 1.00 0.19 N ATOM 639 CA LEU A 44 4.644 0.046 0.752 1.00 0.16 C ATOM 640 C LEU A 44 4.544 -0.605 2.123 1.00 0.14 C ATOM 641 O LEU A 44 4.748 -1.814 2.234 1.00 0.25 O ATOM 642 CB LEU A 44 3.427 -0.095 -0.171 1.00 0.23 C ATOM 643 CG LEU A 44 2.176 -0.707 0.409 1.00 0.51 C ATOM 644 CD1 LEU A 44 1.675 0.095 1.594 1.00 0.72 C ATOM 645 CD2 LEU A 44 1.102 -0.713 -0.677 1.00 0.64 C ATOM 0 H LEU A 44 5.594 -1.619 0.015 1.00 0.19 H new ATOM 0 HA LEU A 44 4.753 1.116 0.929 1.00 0.16 H new ATOM 0 HB2 LEU A 44 3.173 0.897 -0.545 1.00 0.23 H new ATOM 0 HB3 LEU A 44 3.726 -0.694 -1.031 1.00 0.23 H new ATOM 0 HG LEU A 44 2.398 -1.718 0.750 1.00 0.51 H new ATOM 0 HD11 LEU A 44 0.773 -0.369 1.992 1.00 0.72 H new ATOM 0 HD12 LEU A 44 2.442 0.119 2.368 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.449 1.113 1.275 1.00 0.72 H new ATOM 0 HD21 LEU A 44 0.186 -1.152 -0.281 1.00 0.64 H new ATOM 0 HD22 LEU A 44 0.905 0.309 -0.999 1.00 0.64 H new ATOM 0 HD23 LEU A 44 1.448 -1.301 -1.527 1.00 0.64 H new ATOM 657 N VAL A 45 4.292 0.205 3.154 1.00 0.16 N ATOM 658 CA VAL A 45 3.991 -0.158 4.511 1.00 0.21 C ATOM 659 C VAL A 45 2.697 0.552 4.873 1.00 0.23 C ATOM 660 O VAL A 45 2.473 1.694 4.465 1.00 0.26 O ATOM 661 CB VAL A 45 5.143 0.233 5.454 1.00 0.30 C ATOM 662 CG1 VAL A 45 4.669 0.604 6.864 1.00 0.38 C ATOM 663 CG2 VAL A 45 6.085 -0.957 5.558 1.00 0.43 C ATOM 0 H VAL A 45 4.298 1.218 3.033 1.00 0.16 H new ATOM 0 HA VAL A 45 3.873 -1.237 4.615 1.00 0.21 H new ATOM 0 HB VAL A 45 5.630 1.115 5.037 1.00 0.30 H new ATOM 0 HG11 VAL A 45 5.529 0.869 7.479 1.00 0.38 H new ATOM 0 HG12 VAL A 45 3.988 1.453 6.807 1.00 0.38 H new ATOM 0 HG13 VAL A 45 4.153 -0.246 7.310 1.00 0.38 H new ATOM 0 HG21 VAL A 45 6.913 -0.708 6.222 1.00 0.43 H new ATOM 0 HG22 VAL A 45 5.545 -1.815 5.958 1.00 0.43 H new ATOM 0 HG23 VAL A 45 6.473 -1.201 4.569 1.00 0.43 H new ATOM 673 N VAL A 46 1.860 -0.148 5.632 1.00 0.24 N ATOM 674 CA VAL A 46 0.661 0.393 6.240 1.00 0.18 C ATOM 675 C VAL A 46 0.672 0.041 7.718 1.00 0.18 C ATOM 676 O VAL A 46 0.948 -1.110 8.068 1.00 0.27 O ATOM 677 CB VAL A 46 -0.569 -0.202 5.550 1.00 0.34 C ATOM 678 CG1 VAL A 46 -1.853 0.130 6.303 1.00 0.71 C ATOM 679 CG2 VAL A 46 -0.709 0.373 4.147 1.00 0.27 C ATOM 0 H VAL A 46 2.006 -1.135 5.844 1.00 0.24 H new ATOM 0 HA VAL A 46 0.627 1.477 6.128 1.00 0.18 H new ATOM 0 HB VAL A 46 -0.426 -1.282 5.525 1.00 0.34 H new ATOM 0 HG11 VAL A 46 -2.704 -0.309 5.783 1.00 0.71 H new ATOM 0 HG12 VAL A 46 -1.797 -0.275 7.314 1.00 0.71 H new ATOM 0 HG13 VAL A 46 -1.977 1.212 6.352 1.00 0.71 H new ATOM 0 HG21 VAL A 46 -1.587 -0.056 3.664 1.00 0.27 H new ATOM 0 HG22 VAL A 46 -0.821 1.456 4.207 1.00 0.27 H new ATOM 0 HG23 VAL A 46 0.180 0.132 3.564 1.00 0.27 H new ATOM 689 N ASP A 47 0.310 1.022 8.548 1.00 0.18 N ATOM 690 CA ASP A 47 0.103 0.838 9.965 1.00 0.21 C ATOM 691 C ASP A 47 -1.392 1.020 10.213 1.00 0.21 C ATOM 692 O ASP A 47 -1.916 2.141 10.182 1.00 0.34 O ATOM 693 CB ASP A 47 0.988 1.800 10.765 1.00 0.34 C ATOM 694 CG ASP A 47 2.418 1.284 10.933 1.00 0.96 C ATOM 695 OD1 ASP A 47 3.014 0.863 9.916 1.00 1.95 O ATOM 696 OD2 ASP A 47 2.905 1.343 12.083 1.00 1.78 O ATOM 0 H ASP A 47 0.152 1.980 8.237 1.00 0.18 H new ATOM 0 HA ASP A 47 0.397 -0.156 10.303 1.00 0.21 H new ATOM 0 HB2 ASP A 47 1.012 2.768 10.264 1.00 0.34 H new ATOM 0 HB3 ASP A 47 0.546 1.961 11.748 1.00 0.34 H new ATOM 701 N ALA A 48 -2.084 -0.105 10.403 1.00 0.24 N ATOM 702 CA ALA A 48 -3.521 -0.194 10.619 1.00 0.32 C ATOM 703 C ALA A 48 -3.762 -0.885 11.957 1.00 0.46 C ATOM 704 O ALA A 48 -3.046 -1.830 12.283 1.00 0.75 O ATOM 705 CB ALA A 48 -4.162 -1.009 9.497 1.00 0.43 C ATOM 0 H ALA A 48 -1.632 -1.019 10.410 1.00 0.24 H new ATOM 0 HA ALA A 48 -3.962 0.803 10.625 1.00 0.32 H new ATOM 0 HB1 ALA A 48 -5.237 -1.073 9.663 1.00 0.43 H new ATOM 0 HB2 ALA A 48 -3.971 -0.524 8.540 1.00 0.43 H new ATOM 0 HB3 ALA A 48 -3.736 -2.012 9.487 1.00 0.43 H new ATOM 711 N ASP A 49 -4.780 -0.440 12.696 1.00 0.44 N ATOM 712 CA ASP A 49 -5.119 -0.979 14.017 1.00 0.56 C ATOM 713 C ASP A 49 -6.455 -1.710 13.942 1.00 0.58 C ATOM 714 O ASP A 49 -7.416 -1.397 14.641 1.00 0.64 O ATOM 715 CB ASP A 49 -5.108 0.129 15.079 1.00 0.70 C ATOM 716 CG ASP A 49 -3.696 0.384 15.573 1.00 1.16 C ATOM 717 OD1 ASP A 49 -2.995 1.159 14.890 1.00 2.05 O ATOM 718 OD2 ASP A 49 -3.329 -0.225 16.599 1.00 2.30 O ATOM 0 H ASP A 49 -5.399 0.312 12.393 1.00 0.44 H new ATOM 0 HA ASP A 49 -4.363 -1.702 14.323 1.00 0.56 H new ATOM 0 HB2 ASP A 49 -5.523 1.046 14.660 1.00 0.70 H new ATOM 0 HB3 ASP A 49 -5.746 -0.156 15.916 1.00 0.70 H new ATOM 723 N ASN A 50 -6.501 -2.707 13.063 1.00 0.61 N ATOM 724 CA ASN A 50 -7.641 -3.568 12.800 1.00 0.59 C ATOM 725 C ASN A 50 -7.108 -4.529 11.751 1.00 0.50 C ATOM 726 O ASN A 50 -6.123 -5.202 12.048 1.00 0.96 O ATOM 727 CB ASN A 50 -8.919 -2.791 12.411 1.00 0.77 C ATOM 728 CG ASN A 50 -8.687 -1.484 11.656 1.00 1.98 C ATOM 729 OD1 ASN A 50 -9.478 -0.556 11.774 1.00 2.78 O ATOM 730 ND2 ASN A 50 -7.602 -1.372 10.893 1.00 3.09 N ATOM 0 H ASN A 50 -5.696 -2.946 12.484 1.00 0.61 H new ATOM 0 HA ASN A 50 -7.998 -4.103 13.680 1.00 0.59 H new ATOM 0 HB2 ASN A 50 -9.545 -3.439 11.798 1.00 0.77 H new ATOM 0 HB3 ASN A 50 -9.481 -2.572 13.319 1.00 0.77 H new ATOM 0 HD21 ASN A 50 -7.417 -0.502 10.394 1.00 3.09 H new ATOM 0 HD22 ASN A 50 -6.955 -2.156 10.808 1.00 3.09 H new ATOM 737 N ASP A 51 -7.635 -4.546 10.523 1.00 0.46 N ATOM 738 CA ASP A 51 -7.010 -5.332 9.472 1.00 0.43 C ATOM 739 C ASP A 51 -7.590 -5.003 8.117 1.00 0.40 C ATOM 740 O ASP A 51 -8.807 -4.899 7.978 1.00 0.75 O ATOM 741 CB ASP A 51 -7.264 -6.808 9.694 1.00 0.69 C ATOM 742 CG ASP A 51 -6.220 -7.680 8.994 1.00 1.07 C ATOM 743 OD1 ASP A 51 -5.414 -7.186 8.165 1.00 2.47 O ATOM 744 OD2 ASP A 51 -6.162 -8.873 9.349 1.00 1.79 O ATOM 0 H ASP A 51 -8.473 -4.036 10.243 1.00 0.46 H new ATOM 0 HA ASP A 51 -5.946 -5.098 9.502 1.00 0.43 H new ATOM 0 HB2 ASP A 51 -7.256 -7.021 10.763 1.00 0.69 H new ATOM 0 HB3 ASP A 51 -8.257 -7.065 9.325 1.00 0.69 H new ATOM 749 N ILE A 52 -6.715 -4.854 7.130 1.00 0.46 N ATOM 750 CA ILE A 52 -7.093 -4.420 5.809 1.00 0.46 C ATOM 751 C ILE A 52 -6.078 -4.815 4.750 1.00 0.43 C ATOM 752 O ILE A 52 -6.186 -4.315 3.644 1.00 0.32 O ATOM 753 CB ILE A 52 -7.255 -2.892 5.812 1.00 0.46 C ATOM 754 CG1 ILE A 52 -6.110 -2.175 6.544 1.00 0.47 C ATOM 755 CG2 ILE A 52 -8.563 -2.473 6.462 1.00 0.52 C ATOM 756 CD1 ILE A 52 -4.893 -1.977 5.665 1.00 0.46 C ATOM 0 H ILE A 52 -5.717 -5.035 7.234 1.00 0.46 H new ATOM 0 HA ILE A 52 -8.032 -4.913 5.557 1.00 0.46 H new ATOM 0 HB ILE A 52 -7.243 -2.599 4.762 1.00 0.46 H new ATOM 0 HG12 ILE A 52 -6.460 -1.205 6.898 1.00 0.47 H new ATOM 0 HG13 ILE A 52 -5.828 -2.753 7.424 1.00 0.47 H new ATOM 0 HG21 ILE A 52 -8.645 -1.386 6.447 1.00 0.52 H new ATOM 0 HG22 ILE A 52 -9.398 -2.907 5.912 1.00 0.52 H new ATOM 0 HG23 ILE A 52 -8.586 -2.824 7.494 1.00 0.52 H new ATOM 0 HD11 ILE A 52 -4.114 -1.466 6.231 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -4.523 -2.947 5.332 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -5.165 -1.375 4.798 1.00 0.46 H new ATOM 768 N ARG A 53 -5.079 -5.655 5.009 1.00 0.62 N ATOM 769 CA ARG A 53 -4.016 -5.802 4.007 1.00 0.46 C ATOM 770 C ARG A 53 -4.580 -6.387 2.723 1.00 0.37 C ATOM 771 O ARG A 53 -4.293 -5.914 1.633 1.00 0.32 O ATOM 772 CB ARG A 53 -2.912 -6.718 4.485 1.00 0.57 C ATOM 773 CG ARG A 53 -2.396 -6.315 5.855 1.00 1.00 C ATOM 774 CD ARG A 53 -1.881 -7.559 6.556 1.00 0.98 C ATOM 775 NE ARG A 53 -2.865 -8.068 7.544 1.00 1.25 N ATOM 776 CZ ARG A 53 -2.703 -9.204 8.238 1.00 1.68 C ATOM 777 NH1 ARG A 53 -1.573 -9.908 8.104 1.00 2.05 N ATOM 778 NH2 ARG A 53 -3.660 -9.649 9.054 1.00 2.08 N ATOM 0 H ARG A 53 -4.979 -6.218 5.854 1.00 0.62 H new ATOM 0 HA ARG A 53 -3.608 -4.806 3.835 1.00 0.46 H new ATOM 0 HB2 ARG A 53 -3.281 -7.743 4.523 1.00 0.57 H new ATOM 0 HB3 ARG A 53 -2.091 -6.702 3.768 1.00 0.57 H new ATOM 0 HG2 ARG A 53 -1.600 -5.577 5.759 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -3.191 -5.852 6.439 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -1.669 -8.333 5.819 1.00 0.98 H new ATOM 0 HD3 ARG A 53 -0.941 -7.333 7.059 1.00 0.98 H new ATOM 0 HE ARG A 53 -3.712 -7.523 7.704 1.00 1.25 H new ATOM 0 HH11 ARG A 53 -0.839 -9.580 7.476 1.00 2.05 H new ATOM 0 HH12 ARG A 53 -1.445 -10.773 8.630 1.00 2.05 H new ATOM 0 HH21 ARG A 53 -4.528 -9.124 9.156 1.00 2.08 H new ATOM 0 HH22 ARG A 53 -3.523 -10.515 9.576 1.00 2.08 H new ATOM 792 N ALA A 54 -5.438 -7.393 2.880 1.00 0.42 N ATOM 793 CA ALA A 54 -6.199 -7.963 1.788 1.00 0.39 C ATOM 794 C ALA A 54 -6.934 -6.849 1.030 1.00 0.29 C ATOM 795 O ALA A 54 -6.911 -6.792 -0.199 1.00 0.46 O ATOM 796 CB ALA A 54 -7.123 -9.018 2.376 1.00 0.49 C ATOM 0 H ALA A 54 -5.621 -7.835 3.781 1.00 0.42 H new ATOM 0 HA ALA A 54 -5.560 -8.448 1.051 1.00 0.39 H new ATOM 0 HB1 ALA A 54 -7.713 -9.470 1.579 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -6.529 -9.788 2.869 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -7.790 -8.554 3.103 1.00 0.49 H new ATOM 802 N GLN A 55 -7.532 -5.921 1.783 1.00 0.25 N ATOM 803 CA GLN A 55 -8.151 -4.704 1.279 1.00 0.22 C ATOM 804 C GLN A 55 -7.153 -3.865 0.478 1.00 0.21 C ATOM 805 O GLN A 55 -7.436 -3.471 -0.651 1.00 0.26 O ATOM 806 CB GLN A 55 -8.755 -3.897 2.443 1.00 0.40 C ATOM 807 CG GLN A 55 -10.253 -3.634 2.270 1.00 0.82 C ATOM 808 CD GLN A 55 -11.059 -4.904 2.515 1.00 1.60 C ATOM 809 OE1 GLN A 55 -11.616 -5.484 1.590 1.00 3.11 O ATOM 810 NE2 GLN A 55 -11.117 -5.352 3.767 1.00 1.46 N ATOM 0 H GLN A 55 -7.598 -6.005 2.797 1.00 0.25 H new ATOM 0 HA GLN A 55 -8.956 -4.982 0.599 1.00 0.22 H new ATOM 0 HB2 GLN A 55 -8.591 -4.436 3.376 1.00 0.40 H new ATOM 0 HB3 GLN A 55 -8.231 -2.945 2.529 1.00 0.40 H new ATOM 0 HG2 GLN A 55 -10.572 -2.856 2.964 1.00 0.82 H new ATOM 0 HG3 GLN A 55 -10.448 -3.263 1.264 1.00 0.82 H new ATOM 0 HE21 GLN A 55 -10.641 -4.844 4.513 1.00 1.46 H new ATOM 0 HE22 GLN A 55 -11.637 -6.203 3.981 1.00 1.46 H new ATOM 819 N VAL A 56 -5.982 -3.587 1.052 1.00 0.20 N ATOM 820 CA VAL A 56 -4.949 -2.803 0.409 1.00 0.21 C ATOM 821 C VAL A 56 -4.584 -3.467 -0.907 1.00 0.24 C ATOM 822 O VAL A 56 -4.477 -2.803 -1.933 1.00 0.22 O ATOM 823 CB VAL A 56 -3.679 -2.692 1.250 1.00 0.25 C ATOM 824 CG1 VAL A 56 -2.568 -1.985 0.459 1.00 0.27 C ATOM 825 CG2 VAL A 56 -3.964 -1.931 2.530 1.00 0.40 C ATOM 0 H VAL A 56 -5.730 -3.907 1.987 1.00 0.20 H new ATOM 0 HA VAL A 56 -5.346 -1.798 0.267 1.00 0.21 H new ATOM 0 HB VAL A 56 -3.344 -3.698 1.500 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -1.671 -1.915 1.074 1.00 0.27 H new ATOM 0 HG12 VAL A 56 -2.345 -2.554 -0.444 1.00 0.27 H new ATOM 0 HG13 VAL A 56 -2.898 -0.983 0.184 1.00 0.27 H new ATOM 0 HG21 VAL A 56 -3.051 -1.858 3.121 1.00 0.40 H new ATOM 0 HG22 VAL A 56 -4.319 -0.930 2.287 1.00 0.40 H new ATOM 0 HG23 VAL A 56 -4.727 -2.457 3.104 1.00 0.40 H new ATOM 835 N GLU A 57 -4.323 -4.775 -0.868 1.00 0.33 N ATOM 836 CA GLU A 57 -3.696 -5.441 -1.982 1.00 0.30 C ATOM 837 C GLU A 57 -4.704 -5.566 -3.118 1.00 0.30 C ATOM 838 O GLU A 57 -4.402 -5.238 -4.265 1.00 0.34 O ATOM 839 CB GLU A 57 -2.896 -6.683 -1.547 1.00 0.35 C ATOM 840 CG GLU A 57 -3.646 -7.951 -1.155 1.00 0.75 C ATOM 841 CD GLU A 57 -2.654 -8.992 -0.629 1.00 1.66 C ATOM 842 OE1 GLU A 57 -2.325 -8.913 0.573 1.00 2.86 O ATOM 843 OE2 GLU A 57 -2.191 -9.829 -1.441 1.00 2.65 O ATOM 0 H GLU A 57 -4.539 -5.380 -0.076 1.00 0.33 H new ATOM 0 HA GLU A 57 -2.891 -4.846 -2.414 1.00 0.30 H new ATOM 0 HB2 GLU A 57 -2.220 -6.940 -2.363 1.00 0.35 H new ATOM 0 HB3 GLU A 57 -2.276 -6.393 -0.699 1.00 0.35 H new ATOM 0 HG2 GLU A 57 -4.390 -7.724 -0.391 1.00 0.75 H new ATOM 0 HG3 GLU A 57 -4.184 -8.349 -2.016 1.00 0.75 H new ATOM 850 N SER A 58 -5.950 -5.884 -2.762 1.00 0.30 N ATOM 851 CA SER A 58 -7.099 -5.677 -3.621 1.00 0.37 C ATOM 852 C SER A 58 -7.136 -4.255 -4.199 1.00 0.34 C ATOM 853 O SER A 58 -7.389 -4.075 -5.389 1.00 0.44 O ATOM 854 CB SER A 58 -8.363 -5.953 -2.806 1.00 0.44 C ATOM 855 OG SER A 58 -8.410 -7.305 -2.400 1.00 1.86 O ATOM 0 H SER A 58 -6.184 -6.296 -1.859 1.00 0.30 H new ATOM 0 HA SER A 58 -7.033 -6.359 -4.469 1.00 0.37 H new ATOM 0 HB2 SER A 58 -8.386 -5.304 -1.930 1.00 0.44 H new ATOM 0 HB3 SER A 58 -9.245 -5.716 -3.402 1.00 0.44 H new ATOM 0 HG SER A 58 -7.907 -7.414 -1.566 1.00 1.86 H new ATOM 861 N ALA A 59 -6.925 -3.233 -3.364 1.00 0.29 N ATOM 862 CA ALA A 59 -7.056 -1.841 -3.783 1.00 0.32 C ATOM 863 C ALA A 59 -6.000 -1.501 -4.828 1.00 0.29 C ATOM 864 O ALA A 59 -6.328 -1.003 -5.899 1.00 0.32 O ATOM 865 CB ALA A 59 -6.980 -0.885 -2.587 1.00 0.33 C ATOM 0 H ALA A 59 -6.660 -3.350 -2.386 1.00 0.29 H new ATOM 0 HA ALA A 59 -8.040 -1.714 -4.234 1.00 0.32 H new ATOM 0 HB1 ALA A 59 -7.081 0.143 -2.936 1.00 0.33 H new ATOM 0 HB2 ALA A 59 -7.785 -1.112 -1.888 1.00 0.33 H new ATOM 0 HB3 ALA A 59 -6.020 -1.005 -2.086 1.00 0.33 H new ATOM 871 N LEU A 60 -4.738 -1.790 -4.524 1.00 0.24 N ATOM 872 CA LEU A 60 -3.622 -1.597 -5.432 1.00 0.23 C ATOM 873 C LEU A 60 -3.818 -2.398 -6.712 1.00 0.27 C ATOM 874 O LEU A 60 -3.587 -1.887 -7.805 1.00 0.29 O ATOM 875 CB LEU A 60 -2.316 -2.004 -4.743 1.00 0.19 C ATOM 876 CG LEU A 60 -1.591 -0.765 -4.202 1.00 0.22 C ATOM 877 CD1 LEU A 60 -2.363 -0.183 -3.017 1.00 0.31 C ATOM 878 CD2 LEU A 60 -0.173 -1.121 -3.766 1.00 0.46 C ATOM 0 H LEU A 60 -4.462 -2.173 -3.620 1.00 0.24 H new ATOM 0 HA LEU A 60 -3.571 -0.542 -5.700 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -2.527 -2.695 -3.927 1.00 0.19 H new ATOM 0 HB3 LEU A 60 -1.673 -2.531 -5.449 1.00 0.19 H new ATOM 0 HG LEU A 60 -1.537 -0.022 -4.998 1.00 0.22 H new ATOM 0 HD11 LEU A 60 -1.841 0.696 -2.639 1.00 0.31 H new ATOM 0 HD12 LEU A 60 -3.365 0.100 -3.339 1.00 0.31 H new ATOM 0 HD13 LEU A 60 -2.434 -0.930 -2.227 1.00 0.31 H new ATOM 0 HD21 LEU A 60 0.325 -0.229 -3.385 1.00 0.46 H new ATOM 0 HD22 LEU A 60 -0.212 -1.877 -2.982 1.00 0.46 H new ATOM 0 HD23 LEU A 60 0.383 -1.511 -4.619 1.00 0.46 H new ATOM 890 N GLN A 61 -4.244 -3.652 -6.588 1.00 0.30 N ATOM 891 CA GLN A 61 -4.504 -4.488 -7.741 1.00 0.37 C ATOM 892 C GLN A 61 -5.567 -3.840 -8.628 1.00 0.43 C ATOM 893 O GLN A 61 -5.406 -3.771 -9.843 1.00 0.48 O ATOM 894 CB GLN A 61 -4.858 -5.895 -7.261 1.00 0.41 C ATOM 895 CG GLN A 61 -5.038 -6.850 -8.438 1.00 0.60 C ATOM 896 CD GLN A 61 -4.938 -8.300 -7.983 1.00 1.05 C ATOM 897 OE1 GLN A 61 -5.933 -9.015 -7.924 1.00 1.50 O ATOM 898 NE2 GLN A 61 -3.728 -8.743 -7.650 1.00 1.34 N ATOM 0 H GLN A 61 -4.415 -4.108 -5.692 1.00 0.30 H new ATOM 0 HA GLN A 61 -3.618 -4.584 -8.369 1.00 0.37 H new ATOM 0 HB2 GLN A 61 -4.071 -6.267 -6.604 1.00 0.41 H new ATOM 0 HB3 GLN A 61 -5.775 -5.862 -6.673 1.00 0.41 H new ATOM 0 HG2 GLN A 61 -6.007 -6.678 -8.906 1.00 0.60 H new ATOM 0 HG3 GLN A 61 -4.279 -6.649 -9.194 1.00 0.60 H new ATOM 0 HE21 GLN A 61 -2.922 -8.121 -7.711 1.00 1.34 H new ATOM 0 HE22 GLN A 61 -3.606 -9.705 -7.334 1.00 1.34 H new ATOM 907 N LYS A 62 -6.630 -3.315 -8.016 1.00 0.44 N ATOM 908 CA LYS A 62 -7.667 -2.593 -8.740 1.00 0.51 C ATOM 909 C LYS A 62 -7.134 -1.293 -9.357 1.00 0.52 C ATOM 910 O LYS A 62 -7.488 -0.955 -10.483 1.00 0.62 O ATOM 911 CB LYS A 62 -8.876 -2.373 -7.835 1.00 0.58 C ATOM 912 CG LYS A 62 -9.658 -3.691 -7.859 1.00 0.93 C ATOM 913 CD LYS A 62 -10.601 -3.879 -6.683 1.00 1.37 C ATOM 914 CE LYS A 62 -11.679 -2.794 -6.546 1.00 2.47 C ATOM 915 NZ LYS A 62 -11.180 -1.588 -5.855 1.00 3.59 N ATOM 0 H LYS A 62 -6.792 -3.380 -7.011 1.00 0.44 H new ATOM 0 HA LYS A 62 -7.995 -3.201 -9.584 1.00 0.51 H new ATOM 0 HB2 LYS A 62 -8.565 -2.121 -6.821 1.00 0.58 H new ATOM 0 HB3 LYS A 62 -9.490 -1.547 -8.195 1.00 0.58 H new ATOM 0 HG2 LYS A 62 -10.234 -3.742 -8.783 1.00 0.93 H new ATOM 0 HG3 LYS A 62 -8.950 -4.520 -7.878 1.00 0.93 H new ATOM 0 HD2 LYS A 62 -11.090 -4.848 -6.778 1.00 1.37 H new ATOM 0 HD3 LYS A 62 -10.014 -3.907 -5.765 1.00 1.37 H new ATOM 0 HE2 LYS A 62 -12.041 -2.518 -7.537 1.00 2.47 H new ATOM 0 HE3 LYS A 62 -12.530 -3.198 -5.997 1.00 2.47 H new ATOM 0 HZ1 LYS A 62 -11.966 -1.123 -5.358 1.00 3.59 H new ATOM 0 HZ2 LYS A 62 -10.448 -1.859 -5.168 1.00 3.59 H new ATOM 0 HZ3 LYS A 62 -10.774 -0.931 -6.552 1.00 3.59 H new ATOM 929 N ALA A 63 -6.301 -0.554 -8.619 1.00 0.44 N ATOM 930 CA ALA A 63 -5.694 0.688 -9.086 1.00 0.46 C ATOM 931 C ALA A 63 -4.741 0.437 -10.260 1.00 0.46 C ATOM 932 O ALA A 63 -4.629 1.280 -11.147 1.00 0.55 O ATOM 933 CB ALA A 63 -4.981 1.388 -7.925 1.00 0.45 C ATOM 0 H ALA A 63 -6.028 -0.808 -7.669 1.00 0.44 H new ATOM 0 HA ALA A 63 -6.483 1.344 -9.453 1.00 0.46 H new ATOM 0 HB1 ALA A 63 -4.530 2.314 -8.281 1.00 0.45 H new ATOM 0 HB2 ALA A 63 -5.701 1.613 -7.139 1.00 0.45 H new ATOM 0 HB3 ALA A 63 -4.204 0.735 -7.529 1.00 0.45 H new ATOM 939 N GLY A 64 -4.062 -0.713 -10.258 1.00 0.41 N ATOM 940 CA GLY A 64 -3.241 -1.198 -11.360 1.00 0.45 C ATOM 941 C GLY A 64 -1.785 -1.406 -10.947 1.00 0.43 C ATOM 942 O GLY A 64 -0.877 -1.042 -11.691 1.00 0.55 O ATOM 0 H GLY A 64 -4.072 -1.350 -9.461 1.00 0.41 H new ATOM 0 HA2 GLY A 64 -3.650 -2.139 -11.729 1.00 0.45 H new ATOM 0 HA3 GLY A 64 -3.285 -0.486 -12.184 1.00 0.45 H new ATOM 946 N TYR A 65 -1.554 -2.002 -9.774 1.00 0.33 N ATOM 947 CA TYR A 65 -0.247 -2.404 -9.292 1.00 0.31 C ATOM 948 C TYR A 65 -0.257 -3.910 -9.017 1.00 0.39 C ATOM 949 O TYR A 65 -1.311 -4.540 -9.039 1.00 0.61 O ATOM 950 CB TYR A 65 0.046 -1.618 -8.016 1.00 0.31 C ATOM 951 CG TYR A 65 0.087 -0.116 -8.206 1.00 0.34 C ATOM 952 CD1 TYR A 65 1.264 0.513 -8.650 1.00 1.75 C ATOM 953 CD2 TYR A 65 -1.080 0.644 -8.014 1.00 1.94 C ATOM 954 CE1 TYR A 65 1.265 1.891 -8.922 1.00 1.72 C ATOM 955 CE2 TYR A 65 -1.082 2.022 -8.287 1.00 2.00 C ATOM 956 CZ TYR A 65 0.091 2.643 -8.751 1.00 0.51 C ATOM 957 OH TYR A 65 0.110 3.986 -8.973 1.00 0.64 O ATOM 0 H TYR A 65 -2.303 -2.222 -9.118 1.00 0.33 H new ATOM 0 HA TYR A 65 0.527 -2.197 -10.030 1.00 0.31 H new ATOM 0 HB2 TYR A 65 -0.714 -1.858 -7.273 1.00 0.31 H new ATOM 0 HB3 TYR A 65 1.003 -1.948 -7.611 1.00 0.31 H new ATOM 0 HD1 TYR A 65 2.167 -0.064 -8.782 1.00 1.75 H new ATOM 0 HD2 TYR A 65 -1.979 0.166 -7.655 1.00 1.94 H new ATOM 0 HE1 TYR A 65 2.169 2.373 -9.263 1.00 1.72 H new ATOM 0 HE2 TYR A 65 -1.981 2.602 -8.141 1.00 2.00 H new ATOM 0 HH TYR A 65 0.964 4.238 -9.382 1.00 0.64 H new ATOM 967 N SER A 66 0.914 -4.476 -8.721 1.00 0.44 N ATOM 968 CA SER A 66 1.089 -5.911 -8.516 1.00 0.52 C ATOM 969 C SER A 66 1.945 -6.143 -7.275 1.00 0.50 C ATOM 970 O SER A 66 3.116 -6.495 -7.392 1.00 0.63 O ATOM 971 CB SER A 66 1.714 -6.545 -9.765 1.00 0.64 C ATOM 972 OG SER A 66 0.919 -6.259 -10.899 1.00 1.54 O ATOM 0 H SER A 66 1.777 -3.942 -8.616 1.00 0.44 H new ATOM 0 HA SER A 66 0.122 -6.387 -8.355 1.00 0.52 H new ATOM 0 HB2 SER A 66 2.724 -6.161 -9.912 1.00 0.64 H new ATOM 0 HB3 SER A 66 1.799 -7.624 -9.632 1.00 0.64 H new ATOM 0 HG SER A 66 1.324 -6.665 -11.693 1.00 1.54 H new ATOM 978 N LEU A 67 1.357 -5.912 -6.099 1.00 0.43 N ATOM 979 CA LEU A 67 2.010 -6.149 -4.814 1.00 0.44 C ATOM 980 C LEU A 67 1.898 -7.592 -4.341 1.00 0.48 C ATOM 981 O LEU A 67 1.144 -8.390 -4.894 1.00 0.58 O ATOM 982 CB LEU A 67 1.612 -5.136 -3.724 1.00 0.46 C ATOM 983 CG LEU A 67 0.275 -5.387 -3.025 1.00 0.60 C ATOM 984 CD1 LEU A 67 -0.051 -4.265 -2.044 1.00 1.77 C ATOM 985 CD2 LEU A 67 -0.779 -5.461 -4.112 1.00 1.51 C ATOM 0 H LEU A 67 0.406 -5.552 -6.013 1.00 0.43 H new ATOM 0 HA LEU A 67 3.069 -5.975 -5.002 1.00 0.44 H new ATOM 0 HB2 LEU A 67 2.397 -5.121 -2.968 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.583 -4.143 -4.173 1.00 0.46 H new ATOM 0 HG LEU A 67 0.313 -6.311 -2.448 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -1.007 -4.470 -1.562 1.00 1.77 H new ATOM 0 HD12 LEU A 67 0.732 -4.204 -1.288 1.00 1.77 H new ATOM 0 HD13 LEU A 67 -0.111 -3.318 -2.581 1.00 1.77 H new ATOM 0 HD21 LEU A 67 -1.755 -5.640 -3.661 1.00 1.51 H new ATOM 0 HD22 LEU A 67 -0.801 -4.521 -4.663 1.00 1.51 H new ATOM 0 HD23 LEU A 67 -0.540 -6.276 -4.795 1.00 1.51 H new ATOM 997 N ARG A 68 2.651 -7.909 -3.287 1.00 0.44 N ATOM 998 CA ARG A 68 2.587 -9.186 -2.609 1.00 0.44 C ATOM 999 C ARG A 68 3.030 -8.976 -1.163 1.00 0.36 C ATOM 1000 O ARG A 68 3.958 -8.203 -0.920 1.00 0.39 O ATOM 1001 CB ARG A 68 3.492 -10.182 -3.340 1.00 0.51 C ATOM 1002 CG ARG A 68 3.449 -11.607 -2.777 1.00 0.58 C ATOM 1003 CD ARG A 68 2.211 -12.408 -3.224 1.00 1.61 C ATOM 1004 NE ARG A 68 0.956 -11.962 -2.581 1.00 3.25 N ATOM 1005 CZ ARG A 68 0.491 -12.375 -1.390 1.00 4.66 C ATOM 1006 NH1 ARG A 68 1.206 -13.246 -0.669 1.00 5.12 N ATOM 1007 NH2 ARG A 68 -0.662 -11.906 -0.904 1.00 6.37 N ATOM 0 H ARG A 68 3.332 -7.268 -2.880 1.00 0.44 H new ATOM 0 HA ARG A 68 1.575 -9.590 -2.610 1.00 0.44 H new ATOM 0 HB2 ARG A 68 3.206 -10.211 -4.391 1.00 0.51 H new ATOM 0 HB3 ARG A 68 4.519 -9.819 -3.299 1.00 0.51 H new ATOM 0 HG2 ARG A 68 4.348 -12.139 -3.088 1.00 0.58 H new ATOM 0 HG3 ARG A 68 3.467 -11.560 -1.688 1.00 0.58 H new ATOM 0 HD2 ARG A 68 2.105 -12.325 -4.306 1.00 1.61 H new ATOM 0 HD3 ARG A 68 2.370 -13.463 -3.000 1.00 1.61 H new ATOM 0 HE ARG A 68 0.393 -11.279 -3.088 1.00 3.25 H new ATOM 0 HH11 ARG A 68 2.097 -13.592 -1.024 1.00 5.12 H new ATOM 0 HH12 ARG A 68 0.860 -13.564 0.236 1.00 5.12 H new ATOM 0 HH21 ARG A 68 -1.202 -11.225 -1.439 1.00 6.37 H new ATOM 0 HH22 ARG A 68 -1.003 -12.229 0.002 1.00 6.37 H new ATOM 1021 N ASP A 69 2.334 -9.652 -0.242 1.00 0.43 N ATOM 1022 CA ASP A 69 2.561 -9.658 1.198 1.00 0.51 C ATOM 1023 C ASP A 69 4.039 -9.791 1.559 1.00 0.47 C ATOM 1024 O ASP A 69 4.726 -10.669 1.036 1.00 0.62 O ATOM 1025 CB ASP A 69 1.731 -10.789 1.818 1.00 0.71 C ATOM 1026 CG ASP A 69 2.023 -10.935 3.303 1.00 1.66 C ATOM 1027 OD1 ASP A 69 3.019 -11.628 3.609 1.00 2.53 O ATOM 1028 OD2 ASP A 69 1.273 -10.337 4.102 1.00 2.74 O ATOM 0 H ASP A 69 1.548 -10.246 -0.505 1.00 0.43 H new ATOM 0 HA ASP A 69 2.244 -8.698 1.604 1.00 0.51 H new ATOM 0 HB2 ASP A 69 0.670 -10.587 1.671 1.00 0.71 H new ATOM 0 HB3 ASP A 69 1.951 -11.727 1.308 1.00 0.71 H new ATOM 1033 N GLU A 70 4.494 -8.926 2.473 1.00 0.50 N ATOM 1034 CA GLU A 70 5.759 -9.063 3.174 1.00 0.57 C ATOM 1035 C GLU A 70 5.504 -9.141 4.678 1.00 0.67 C ATOM 1036 O GLU A 70 6.070 -8.382 5.471 1.00 0.75 O ATOM 1037 CB GLU A 70 6.671 -7.898 2.809 1.00 0.62 C ATOM 1038 CG GLU A 70 7.108 -8.032 1.345 1.00 0.81 C ATOM 1039 CD GLU A 70 8.383 -7.258 1.058 1.00 0.96 C ATOM 1040 OE1 GLU A 70 8.481 -6.107 1.530 1.00 1.70 O ATOM 1041 OE2 GLU A 70 9.243 -7.855 0.369 1.00 1.93 O ATOM 0 H GLU A 70 3.973 -8.093 2.747 1.00 0.50 H new ATOM 0 HA GLU A 70 6.260 -9.984 2.875 1.00 0.57 H new ATOM 0 HB2 GLU A 70 6.149 -6.953 2.959 1.00 0.62 H new ATOM 0 HB3 GLU A 70 7.544 -7.887 3.461 1.00 0.62 H new ATOM 0 HG2 GLU A 70 7.262 -9.085 1.108 1.00 0.81 H new ATOM 0 HG3 GLU A 70 6.311 -7.672 0.694 1.00 0.81 H new ATOM 1048 N GLN A 71 4.701 -10.140 5.037 1.00 0.77 N ATOM 1049 CA GLN A 71 4.553 -10.699 6.362 1.00 1.02 C ATOM 1050 C GLN A 71 3.968 -9.690 7.359 1.00 0.65 C ATOM 1051 O GLN A 71 3.583 -8.573 7.002 1.00 1.05 O ATOM 1052 CB GLN A 71 5.867 -11.361 6.800 1.00 1.77 C ATOM 1053 CG GLN A 71 6.561 -12.212 5.718 1.00 2.32 C ATOM 1054 CD GLN A 71 5.823 -13.500 5.347 1.00 2.89 C ATOM 1055 OE1 GLN A 71 6.263 -14.586 5.710 1.00 3.96 O ATOM 1056 NE2 GLN A 71 4.729 -13.445 4.590 1.00 2.74 N ATOM 0 H GLN A 71 4.100 -10.606 4.358 1.00 0.77 H new ATOM 0 HA GLN A 71 3.806 -11.492 6.338 1.00 1.02 H new ATOM 0 HB2 GLN A 71 6.557 -10.583 7.127 1.00 1.77 H new ATOM 0 HB3 GLN A 71 5.667 -11.993 7.665 1.00 1.77 H new ATOM 0 HG2 GLN A 71 6.681 -11.606 4.820 1.00 2.32 H new ATOM 0 HG3 GLN A 71 7.562 -12.470 6.064 1.00 2.32 H new ATOM 0 HE21 GLN A 71 4.363 -12.542 4.288 1.00 2.74 H new ATOM 0 HE22 GLN A 71 4.257 -14.306 4.312 1.00 2.74 H new ATOM 1065 N ALA A 72 3.821 -10.105 8.617 1.00 0.99 N ATOM 1066 CA ALA A 72 3.059 -9.377 9.614 1.00 1.31 C ATOM 1067 C ALA A 72 4.058 -8.646 10.496 1.00 1.10 C ATOM 1068 O ALA A 72 4.250 -9.005 11.658 1.00 1.49 O ATOM 1069 CB ALA A 72 2.192 -10.365 10.401 1.00 2.15 C ATOM 0 H ALA A 72 4.235 -10.968 8.970 1.00 0.99 H new ATOM 0 HA ALA A 72 2.383 -8.647 9.168 1.00 1.31 H new ATOM 0 HB1 ALA A 72 1.616 -9.825 11.153 1.00 2.15 H new ATOM 0 HB2 ALA A 72 1.511 -10.875 9.719 1.00 2.15 H new ATOM 0 HB3 ALA A 72 2.831 -11.099 10.892 1.00 2.15 H new ATOM 1075 N ALA A 73 4.730 -7.641 9.926 1.00 0.90 N ATOM 1076 CA ALA A 73 5.898 -7.013 10.519 1.00 1.21 C ATOM 1077 C ALA A 73 7.104 -7.957 10.452 1.00 1.80 C ATOM 1078 O ALA A 73 8.084 -7.649 9.767 1.00 3.00 O ATOM 1079 CB ALA A 73 5.624 -6.451 11.916 1.00 1.62 C ATOM 0 H ALA A 73 4.468 -7.240 9.026 1.00 0.90 H new ATOM 0 HA ALA A 73 6.151 -6.135 9.925 1.00 1.21 H new ATOM 0 HB1 ALA A 73 6.532 -5.994 12.309 1.00 1.62 H new ATOM 0 HB2 ALA A 73 4.836 -5.700 11.858 1.00 1.62 H new ATOM 0 HB3 ALA A 73 5.308 -7.258 12.577 1.00 1.62 H new ATOM 1085 N GLU A 74 7.012 -9.101 11.125 1.00 2.45 N ATOM 1086 CA GLU A 74 7.888 -10.239 10.914 1.00 3.42 C ATOM 1087 C GLU A 74 7.152 -11.188 9.958 1.00 4.94 C ATOM 1088 O GLU A 74 7.847 -11.878 9.182 1.00 6.02 O ATOM 1089 CB GLU A 74 8.218 -10.873 12.276 1.00 4.01 C ATOM 1090 CG GLU A 74 9.537 -11.662 12.262 1.00 4.96 C ATOM 1091 CD GLU A 74 9.915 -12.161 13.652 1.00 6.08 C ATOM 1092 OE1 GLU A 74 9.922 -11.317 14.575 1.00 6.49 O ATOM 1093 OE2 GLU A 74 10.202 -13.372 13.770 1.00 7.09 O ATOM 1094 OXT GLU A 74 5.896 -11.162 9.973 1.00 5.79 O ATOM 0 H GLU A 74 6.309 -9.261 11.847 1.00 2.45 H new ATOM 0 HA GLU A 74 8.844 -9.968 10.465 1.00 3.42 H new ATOM 0 HB2 GLU A 74 8.277 -10.090 13.032 1.00 4.01 H new ATOM 0 HB3 GLU A 74 7.405 -11.538 12.569 1.00 4.01 H new ATOM 0 HG2 GLU A 74 9.445 -12.511 11.584 1.00 4.96 H new ATOM 0 HG3 GLU A 74 10.335 -11.029 11.874 1.00 4.96 H new TER 1101 GLU A 74 HETATM 1102 ZN ZN A 75 4.351 3.982 -11.370 1.00 2.40 ZN