USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 567 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 50 GLN : amide:sc= -0.859 K(o=-1.3,f=-2.4) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.487 X(o=-1.3,f=-1.8) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.57) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= -0.0386 USER MOD Set 3.2: A 12 GLN : amide:sc= 1.16 K(o=1.1,f=-5!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -150:sc= 1.27 USER MOD Single : A 13 THR OG1 : rot 86:sc= 1 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 2.32 (180deg=1.84) USER MOD Single : A 21 HIS : no HE2:sc= 0.688 K(o=0.69,f=-5.7!) USER MOD Single : A 23 ASN : amide:sc= -0.659 K(o=-0.66,f=-6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 27 THR OG1 : rot 140:sc= 0.666 USER MOD Single : A 36 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.7!) USER MOD Single : A 39 SER OG : rot -39:sc= 1.19 USER MOD Single : A 41 THR OG1 : rot -40:sc= 0.411 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 1.06 (180deg=0.913) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0176) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 2.31 (180deg=2.12) USER MOD Single : A 60 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.45) USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.886) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 0.290 11.004 13.445 1.00 4.69 N ATOM 2 CA MET A 6 1.017 9.829 12.936 1.00 3.84 C ATOM 3 C MET A 6 -0.008 8.743 12.630 1.00 3.41 C ATOM 4 O MET A 6 -1.196 9.057 12.675 1.00 4.34 O ATOM 5 CB MET A 6 2.109 9.358 13.913 1.00 4.85 C ATOM 6 CG MET A 6 2.897 10.524 14.531 1.00 5.73 C ATOM 7 SD MET A 6 3.257 11.892 13.402 1.00 6.15 S ATOM 8 CE MET A 6 3.999 13.084 14.537 1.00 7.64 C ATOM 0 HA MET A 6 1.552 10.087 12.022 1.00 3.84 H new ATOM 0 HB2 MET A 6 1.650 8.773 14.710 1.00 4.85 H new ATOM 0 HB3 MET A 6 2.799 8.697 13.389 1.00 4.85 H new ATOM 0 HG2 MET A 6 2.335 10.913 15.380 1.00 5.73 H new ATOM 0 HG3 MET A 6 3.839 10.139 14.922 1.00 5.73 H new ATOM 0 HE1 MET A 6 4.276 13.985 13.989 1.00 7.64 H new ATOM 0 HE2 MET A 6 3.281 13.339 15.317 1.00 7.64 H new ATOM 0 HE3 MET A 6 4.889 12.648 14.992 1.00 7.64 H new ATOM 18 N THR A 7 0.441 7.517 12.336 1.00 2.86 N ATOM 19 CA THR A 7 -0.416 6.385 12.002 1.00 2.43 C ATOM 20 C THR A 7 -1.124 6.624 10.656 1.00 1.96 C ATOM 21 O THR A 7 -1.056 7.718 10.098 1.00 2.32 O ATOM 22 CB THR A 7 -1.356 6.102 13.190 1.00 2.90 C ATOM 23 OG1 THR A 7 -0.603 6.148 14.389 1.00 3.86 O ATOM 24 CG2 THR A 7 -2.059 4.742 13.133 1.00 3.33 C ATOM 0 H THR A 7 1.434 7.284 12.325 1.00 2.86 H new ATOM 0 HA THR A 7 0.169 5.478 11.850 1.00 2.43 H new ATOM 0 HB THR A 7 -2.132 6.866 13.146 1.00 2.90 H new ATOM 0 HG1 THR A 7 -1.192 5.971 15.152 1.00 3.86 H new ATOM 0 HG21 THR A 7 -2.700 4.627 14.007 1.00 3.33 H new ATOM 0 HG22 THR A 7 -2.665 4.683 12.229 1.00 3.33 H new ATOM 0 HG23 THR A 7 -1.313 3.947 13.123 1.00 3.33 H new ATOM 32 N TYR A 8 -1.750 5.583 10.101 1.00 1.41 N ATOM 33 CA TYR A 8 -2.495 5.638 8.849 1.00 0.94 C ATOM 34 C TYR A 8 -3.950 5.306 9.167 1.00 0.91 C ATOM 35 O TYR A 8 -4.216 4.604 10.142 1.00 1.44 O ATOM 36 CB TYR A 8 -1.895 4.642 7.847 1.00 0.71 C ATOM 37 CG TYR A 8 -0.379 4.701 7.729 1.00 1.04 C ATOM 38 CD1 TYR A 8 0.276 5.944 7.656 1.00 2.37 C ATOM 39 CD2 TYR A 8 0.382 3.520 7.821 1.00 0.99 C ATOM 40 CE1 TYR A 8 1.678 6.009 7.703 1.00 2.79 C ATOM 41 CE2 TYR A 8 1.787 3.585 7.856 1.00 1.17 C ATOM 42 CZ TYR A 8 2.432 4.832 7.810 1.00 1.90 C ATOM 43 OH TYR A 8 3.790 4.912 7.874 1.00 2.35 O ATOM 0 H TYR A 8 -1.750 4.655 10.525 1.00 1.41 H new ATOM 0 HA TYR A 8 -2.438 6.628 8.396 1.00 0.94 H new ATOM 0 HB2 TYR A 8 -2.185 3.633 8.139 1.00 0.71 H new ATOM 0 HB3 TYR A 8 -2.331 4.827 6.865 1.00 0.71 H new ATOM 0 HD1 TYR A 8 -0.302 6.852 7.563 1.00 2.37 H new ATOM 0 HD2 TYR A 8 -0.114 2.562 7.865 1.00 0.99 H new ATOM 0 HE1 TYR A 8 2.176 6.966 7.657 1.00 2.79 H new ATOM 0 HE2 TYR A 8 2.369 2.677 7.918 1.00 1.17 H new ATOM 0 HH TYR A 8 4.168 4.011 7.947 1.00 2.35 H new ATOM 53 N THR A 9 -4.897 5.830 8.387 1.00 0.68 N ATOM 54 CA THR A 9 -6.306 5.642 8.713 1.00 0.79 C ATOM 55 C THR A 9 -6.727 4.180 8.518 1.00 0.64 C ATOM 56 O THR A 9 -6.028 3.392 7.874 1.00 0.50 O ATOM 57 CB THR A 9 -7.189 6.585 7.885 1.00 1.00 C ATOM 58 OG1 THR A 9 -7.028 6.291 6.520 1.00 2.29 O ATOM 59 CG2 THR A 9 -6.847 8.058 8.132 1.00 1.15 C ATOM 0 H THR A 9 -4.718 6.376 7.544 1.00 0.68 H new ATOM 0 HA THR A 9 -6.443 5.890 9.766 1.00 0.79 H new ATOM 0 HB THR A 9 -8.223 6.429 8.191 1.00 1.00 H new ATOM 0 HG1 THR A 9 -7.592 6.890 5.988 1.00 2.29 H new ATOM 0 HG21 THR A 9 -7.497 8.689 7.525 1.00 1.15 H new ATOM 0 HG22 THR A 9 -6.993 8.294 9.186 1.00 1.15 H new ATOM 0 HG23 THR A 9 -5.807 8.241 7.860 1.00 1.15 H new ATOM 67 N ARG A 10 -7.903 3.829 9.050 1.00 0.74 N ATOM 68 CA ARG A 10 -8.509 2.525 8.827 1.00 0.79 C ATOM 69 C ARG A 10 -8.621 2.269 7.329 1.00 0.67 C ATOM 70 O ARG A 10 -8.117 1.263 6.844 1.00 0.60 O ATOM 71 CB ARG A 10 -9.891 2.460 9.490 1.00 1.02 C ATOM 72 CG ARG A 10 -10.404 1.014 9.531 1.00 1.22 C ATOM 73 CD ARG A 10 -11.814 0.939 10.125 1.00 1.99 C ATOM 74 NE ARG A 10 -12.308 -0.449 10.122 1.00 2.33 N ATOM 75 CZ ARG A 10 -13.525 -0.838 10.538 1.00 3.31 C ATOM 76 NH1 ARG A 10 -14.388 0.067 11.012 1.00 4.25 N ATOM 77 NH2 ARG A 10 -13.871 -2.129 10.478 1.00 4.06 N ATOM 0 H ARG A 10 -8.456 4.445 9.646 1.00 0.74 H new ATOM 0 HA ARG A 10 -7.882 1.754 9.274 1.00 0.79 H new ATOM 0 HB2 ARG A 10 -9.834 2.860 10.502 1.00 1.02 H new ATOM 0 HB3 ARG A 10 -10.594 3.085 8.940 1.00 1.02 H new ATOM 0 HG2 ARG A 10 -10.409 0.599 8.523 1.00 1.22 H new ATOM 0 HG3 ARG A 10 -9.725 0.402 10.124 1.00 1.22 H new ATOM 0 HD2 ARG A 10 -11.805 1.325 11.144 1.00 1.99 H new ATOM 0 HD3 ARG A 10 -12.490 1.572 9.550 1.00 1.99 H new ATOM 0 HE ARG A 10 -11.676 -1.172 9.777 1.00 2.33 H new ATOM 0 HH11 ARG A 10 -14.122 1.051 11.057 1.00 4.25 H new ATOM 0 HH12 ARG A 10 -15.312 -0.226 11.328 1.00 4.25 H new ATOM 0 HH21 ARG A 10 -13.211 -2.818 10.117 1.00 4.06 H new ATOM 0 HH22 ARG A 10 -14.795 -2.425 10.794 1.00 4.06 H new ATOM 91 N TYR A 11 -9.272 3.192 6.610 1.00 0.68 N ATOM 92 CA TYR A 11 -9.414 3.118 5.159 1.00 0.65 C ATOM 93 C TYR A 11 -8.063 2.845 4.503 1.00 0.48 C ATOM 94 O TYR A 11 -7.927 1.917 3.709 1.00 0.54 O ATOM 95 CB TYR A 11 -10.004 4.409 4.575 1.00 0.72 C ATOM 96 CG TYR A 11 -9.993 4.399 3.053 1.00 0.76 C ATOM 97 CD1 TYR A 11 -10.959 3.648 2.359 1.00 0.85 C ATOM 98 CD2 TYR A 11 -8.885 4.917 2.348 1.00 1.03 C ATOM 99 CE1 TYR A 11 -10.795 3.382 0.989 1.00 0.91 C ATOM 100 CE2 TYR A 11 -8.684 4.584 0.995 1.00 1.20 C ATOM 101 CZ TYR A 11 -9.639 3.812 0.315 1.00 0.98 C ATOM 102 OH TYR A 11 -9.482 3.478 -0.996 1.00 1.18 O ATOM 0 H TYR A 11 -9.715 4.012 7.024 1.00 0.68 H new ATOM 0 HA TYR A 11 -10.101 2.299 4.948 1.00 0.65 H new ATOM 0 HB2 TYR A 11 -11.027 4.534 4.930 1.00 0.72 H new ATOM 0 HB3 TYR A 11 -9.434 5.265 4.937 1.00 0.72 H new ATOM 0 HD1 TYR A 11 -11.828 3.275 2.880 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -8.188 5.572 2.849 1.00 1.03 H new ATOM 0 HE1 TYR A 11 -11.562 2.844 0.451 1.00 0.91 H new ATOM 0 HE2 TYR A 11 -7.796 4.922 0.481 1.00 1.20 H new ATOM 0 HH TYR A 11 -8.527 3.397 -1.201 1.00 1.18 H new ATOM 112 N GLN A 12 -7.071 3.678 4.820 1.00 0.32 N ATOM 113 CA GLN A 12 -5.762 3.570 4.219 1.00 0.25 C ATOM 114 C GLN A 12 -5.198 2.162 4.431 1.00 0.24 C ATOM 115 O GLN A 12 -4.855 1.460 3.476 1.00 0.29 O ATOM 116 CB GLN A 12 -4.887 4.685 4.807 1.00 0.25 C ATOM 117 CG GLN A 12 -5.187 6.036 4.131 1.00 0.29 C ATOM 118 CD GLN A 12 -4.358 7.183 4.703 1.00 0.43 C ATOM 119 OE1 GLN A 12 -4.066 7.188 5.899 1.00 0.78 O ATOM 120 NE2 GLN A 12 -4.007 8.143 3.846 1.00 0.45 N ATOM 0 H GLN A 12 -7.161 4.437 5.496 1.00 0.32 H new ATOM 0 HA GLN A 12 -5.799 3.706 3.138 1.00 0.25 H new ATOM 0 HB2 GLN A 12 -5.064 4.764 5.880 1.00 0.25 H new ATOM 0 HB3 GLN A 12 -3.835 4.434 4.675 1.00 0.25 H new ATOM 0 HG2 GLN A 12 -4.993 5.952 3.062 1.00 0.29 H new ATOM 0 HG3 GLN A 12 -6.246 6.267 4.246 1.00 0.29 H new ATOM 0 HE21 GLN A 12 -4.282 8.077 2.866 1.00 0.45 H new ATOM 0 HE22 GLN A 12 -3.464 8.943 4.171 1.00 0.45 H new ATOM 129 N THR A 13 -5.158 1.730 5.689 1.00 0.23 N ATOM 130 CA THR A 13 -4.712 0.395 6.053 1.00 0.25 C ATOM 131 C THR A 13 -5.507 -0.677 5.289 1.00 0.33 C ATOM 132 O THR A 13 -4.928 -1.646 4.798 1.00 0.33 O ATOM 133 CB THR A 13 -4.825 0.240 7.579 1.00 0.32 C ATOM 134 OG1 THR A 13 -4.182 1.330 8.215 1.00 0.38 O ATOM 135 CG2 THR A 13 -4.153 -1.048 8.061 1.00 0.35 C ATOM 0 H THR A 13 -5.436 2.302 6.486 1.00 0.23 H new ATOM 0 HA THR A 13 -3.669 0.255 5.768 1.00 0.25 H new ATOM 0 HB THR A 13 -5.885 0.208 7.829 1.00 0.32 H new ATOM 0 HG1 THR A 13 -4.810 2.078 8.296 1.00 0.38 H new ATOM 0 HG21 THR A 13 -4.251 -1.126 9.144 1.00 0.35 H new ATOM 0 HG22 THR A 13 -4.632 -1.906 7.590 1.00 0.35 H new ATOM 0 HG23 THR A 13 -3.097 -1.030 7.793 1.00 0.35 H new ATOM 143 N LEU A 14 -6.826 -0.505 5.168 1.00 0.44 N ATOM 144 CA LEU A 14 -7.705 -1.412 4.463 1.00 0.55 C ATOM 145 C LEU A 14 -7.290 -1.518 2.998 1.00 0.57 C ATOM 146 O LEU A 14 -7.128 -2.631 2.501 1.00 0.62 O ATOM 147 CB LEU A 14 -9.154 -0.912 4.588 1.00 0.62 C ATOM 148 CG LEU A 14 -10.011 -1.701 5.586 1.00 0.71 C ATOM 149 CD1 LEU A 14 -11.347 -0.975 5.782 1.00 0.75 C ATOM 150 CD2 LEU A 14 -10.290 -3.131 5.102 1.00 0.95 C ATOM 0 H LEU A 14 -7.315 0.294 5.572 1.00 0.44 H new ATOM 0 HA LEU A 14 -7.634 -2.406 4.904 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -9.140 0.136 4.888 1.00 0.62 H new ATOM 0 HB3 LEU A 14 -9.627 -0.956 3.607 1.00 0.62 H new ATOM 0 HG LEU A 14 -9.458 -1.764 6.523 1.00 0.71 H new ATOM 0 HD11 LEU A 14 -11.962 -1.530 6.490 1.00 0.75 H new ATOM 0 HD12 LEU A 14 -11.163 0.027 6.169 1.00 0.75 H new ATOM 0 HD13 LEU A 14 -11.867 -0.906 4.827 1.00 0.75 H new ATOM 0 HD21 LEU A 14 -10.900 -3.652 5.840 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -10.822 -3.096 4.151 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -9.347 -3.661 4.971 1.00 0.95 H new ATOM 162 N GLU A 15 -7.117 -0.385 2.301 1.00 0.58 N ATOM 163 CA GLU A 15 -6.731 -0.435 0.898 1.00 0.66 C ATOM 164 C GLU A 15 -5.406 -1.176 0.771 1.00 0.55 C ATOM 165 O GLU A 15 -5.257 -2.040 -0.085 1.00 0.58 O ATOM 166 CB GLU A 15 -6.673 0.950 0.229 1.00 0.89 C ATOM 167 CG GLU A 15 -6.147 0.786 -1.217 1.00 1.41 C ATOM 168 CD GLU A 15 -6.822 1.657 -2.263 1.00 2.07 C ATOM 169 OE1 GLU A 15 -7.148 2.814 -1.930 1.00 3.05 O ATOM 170 OE2 GLU A 15 -7.007 1.118 -3.386 1.00 3.01 O ATOM 0 H GLU A 15 -7.237 0.554 2.682 1.00 0.58 H new ATOM 0 HA GLU A 15 -7.508 -0.977 0.359 1.00 0.66 H new ATOM 0 HB2 GLU A 15 -7.663 1.406 0.221 1.00 0.89 H new ATOM 0 HB3 GLU A 15 -6.020 1.615 0.795 1.00 0.89 H new ATOM 0 HG2 GLU A 15 -5.079 1.004 -1.223 1.00 1.41 H new ATOM 0 HG3 GLU A 15 -6.261 -0.258 -1.510 1.00 1.41 H new ATOM 177 N LEU A 16 -4.447 -0.856 1.632 1.00 0.46 N ATOM 178 CA LEU A 16 -3.144 -1.478 1.602 1.00 0.44 C ATOM 179 C LEU A 16 -3.242 -2.989 1.747 1.00 0.43 C ATOM 180 O LEU A 16 -2.667 -3.724 0.941 1.00 0.43 O ATOM 181 CB LEU A 16 -2.312 -0.872 2.720 1.00 0.38 C ATOM 182 CG LEU A 16 -1.746 0.478 2.293 1.00 0.41 C ATOM 183 CD1 LEU A 16 -1.386 1.244 3.562 1.00 0.35 C ATOM 184 CD2 LEU A 16 -0.514 0.246 1.415 1.00 0.48 C ATOM 0 H LEU A 16 -4.558 -0.158 2.367 1.00 0.46 H new ATOM 0 HA LEU A 16 -2.670 -1.293 0.638 1.00 0.44 H new ATOM 0 HB2 LEU A 16 -2.926 -0.750 3.613 1.00 0.38 H new ATOM 0 HB3 LEU A 16 -1.498 -1.548 2.983 1.00 0.38 H new ATOM 0 HG LEU A 16 -2.467 1.054 1.713 1.00 0.41 H new ATOM 0 HD11 LEU A 16 -0.976 2.218 3.295 1.00 0.35 H new ATOM 0 HD12 LEU A 16 -2.280 1.381 4.171 1.00 0.35 H new ATOM 0 HD13 LEU A 16 -0.644 0.681 4.128 1.00 0.35 H new ATOM 0 HD21 LEU A 16 -0.102 1.206 1.105 1.00 0.48 H new ATOM 0 HD22 LEU A 16 0.237 -0.305 1.981 1.00 0.48 H new ATOM 0 HD23 LEU A 16 -0.798 -0.329 0.534 1.00 0.48 H new ATOM 196 N GLU A 17 -3.961 -3.471 2.763 1.00 0.45 N ATOM 197 CA GLU A 17 -4.120 -4.882 2.949 1.00 0.45 C ATOM 198 C GLU A 17 -4.819 -5.475 1.727 1.00 0.53 C ATOM 199 O GLU A 17 -4.395 -6.504 1.213 1.00 0.57 O ATOM 200 CB GLU A 17 -4.939 -5.055 4.223 1.00 0.45 C ATOM 201 CG GLU A 17 -4.151 -5.918 5.187 1.00 0.57 C ATOM 202 CD GLU A 17 -3.811 -7.282 4.608 1.00 1.81 C ATOM 203 OE1 GLU A 17 -4.756 -8.028 4.279 1.00 2.47 O ATOM 204 OE2 GLU A 17 -2.594 -7.534 4.461 1.00 3.36 O ATOM 0 H GLU A 17 -4.434 -2.893 3.458 1.00 0.45 H new ATOM 0 HA GLU A 17 -3.168 -5.403 3.050 1.00 0.45 H new ATOM 0 HB2 GLU A 17 -5.152 -4.084 4.671 1.00 0.45 H new ATOM 0 HB3 GLU A 17 -5.899 -5.519 3.996 1.00 0.45 H new ATOM 0 HG2 GLU A 17 -3.230 -5.403 5.459 1.00 0.57 H new ATOM 0 HG3 GLU A 17 -4.726 -6.050 6.104 1.00 0.57 H new ATOM 211 N LYS A 18 -5.858 -4.802 1.230 1.00 0.56 N ATOM 212 CA LYS A 18 -6.552 -5.211 0.026 1.00 0.59 C ATOM 213 C LYS A 18 -5.588 -5.321 -1.148 1.00 0.58 C ATOM 214 O LYS A 18 -5.697 -6.295 -1.885 1.00 0.63 O ATOM 215 CB LYS A 18 -7.756 -4.297 -0.229 1.00 0.62 C ATOM 216 CG LYS A 18 -8.514 -4.577 -1.540 1.00 0.75 C ATOM 217 CD LYS A 18 -8.026 -3.738 -2.733 1.00 2.30 C ATOM 218 CE LYS A 18 -8.385 -2.248 -2.586 1.00 2.81 C ATOM 219 NZ LYS A 18 -7.653 -1.421 -3.560 1.00 4.04 N ATOM 0 H LYS A 18 -6.236 -3.957 1.658 1.00 0.56 H new ATOM 0 HA LYS A 18 -6.958 -6.214 0.158 1.00 0.59 H new ATOM 0 HB2 LYS A 18 -8.452 -4.395 0.604 1.00 0.62 H new ATOM 0 HB3 LYS A 18 -7.413 -3.262 -0.238 1.00 0.62 H new ATOM 0 HG2 LYS A 18 -8.415 -5.634 -1.787 1.00 0.75 H new ATOM 0 HG3 LYS A 18 -9.575 -4.385 -1.383 1.00 0.75 H new ATOM 0 HD2 LYS A 18 -6.945 -3.841 -2.829 1.00 2.30 H new ATOM 0 HD3 LYS A 18 -8.466 -4.126 -3.652 1.00 2.30 H new ATOM 0 HE2 LYS A 18 -9.458 -2.115 -2.727 1.00 2.81 H new ATOM 0 HE3 LYS A 18 -8.152 -1.914 -1.575 1.00 2.81 H new ATOM 0 HZ1 LYS A 18 -7.811 -0.415 -3.349 1.00 4.04 H new ATOM 0 HZ2 LYS A 18 -6.636 -1.632 -3.500 1.00 4.04 H new ATOM 0 HZ3 LYS A 18 -7.994 -1.631 -4.520 1.00 4.04 H new ATOM 233 N GLU A 19 -4.636 -4.393 -1.329 1.00 0.61 N ATOM 234 CA GLU A 19 -3.609 -4.629 -2.341 1.00 0.72 C ATOM 235 C GLU A 19 -2.884 -5.925 -2.004 1.00 0.66 C ATOM 236 O GLU A 19 -2.828 -6.833 -2.822 1.00 0.80 O ATOM 237 CB GLU A 19 -2.602 -3.482 -2.468 1.00 1.03 C ATOM 238 CG GLU A 19 -3.212 -2.166 -2.945 1.00 1.37 C ATOM 239 CD GLU A 19 -3.999 -2.252 -4.242 1.00 1.52 C ATOM 240 OE1 GLU A 19 -3.379 -2.177 -5.321 1.00 1.98 O ATOM 241 OE2 GLU A 19 -5.249 -2.191 -4.177 1.00 2.56 O ATOM 0 H GLU A 19 -4.559 -3.516 -0.814 1.00 0.61 H new ATOM 0 HA GLU A 19 -4.110 -4.698 -3.307 1.00 0.72 H new ATOM 0 HB2 GLU A 19 -2.128 -3.320 -1.500 1.00 1.03 H new ATOM 0 HB3 GLU A 19 -1.816 -3.778 -3.162 1.00 1.03 H new ATOM 0 HG2 GLU A 19 -3.870 -1.784 -2.164 1.00 1.37 H new ATOM 0 HG3 GLU A 19 -2.411 -1.437 -3.072 1.00 1.37 H new ATOM 248 N PHE A 20 -2.344 -6.018 -0.789 1.00 0.58 N ATOM 249 CA PHE A 20 -1.556 -7.164 -0.358 1.00 0.61 C ATOM 250 C PHE A 20 -2.273 -8.510 -0.556 1.00 0.62 C ATOM 251 O PHE A 20 -1.601 -9.518 -0.790 1.00 0.92 O ATOM 252 CB PHE A 20 -1.109 -6.959 1.094 1.00 0.61 C ATOM 253 CG PHE A 20 0.017 -7.873 1.531 1.00 0.66 C ATOM 254 CD1 PHE A 20 1.283 -7.775 0.925 1.00 1.06 C ATOM 255 CD2 PHE A 20 -0.203 -8.838 2.533 1.00 1.03 C ATOM 256 CE1 PHE A 20 2.337 -8.595 1.361 1.00 1.12 C ATOM 257 CE2 PHE A 20 0.863 -9.626 3.001 1.00 1.14 C ATOM 258 CZ PHE A 20 2.141 -9.482 2.433 1.00 0.85 C ATOM 0 H PHE A 20 -2.443 -5.296 -0.076 1.00 0.58 H new ATOM 0 HA PHE A 20 -0.677 -7.220 -1.000 1.00 0.61 H new ATOM 0 HB2 PHE A 20 -0.793 -5.924 1.222 1.00 0.61 H new ATOM 0 HB3 PHE A 20 -1.964 -7.115 1.751 1.00 0.61 H new ATOM 0 HD1 PHE A 20 1.445 -7.069 0.124 1.00 1.06 H new ATOM 0 HD2 PHE A 20 -1.193 -8.973 2.943 1.00 1.03 H new ATOM 0 HE1 PHE A 20 3.299 -8.544 0.872 1.00 1.12 H new ATOM 0 HE2 PHE A 20 0.701 -10.340 3.795 1.00 1.14 H new ATOM 0 HZ PHE A 20 2.972 -10.053 2.821 1.00 0.85 H new ATOM 268 N HIS A 21 -3.608 -8.540 -0.444 1.00 0.48 N ATOM 269 CA HIS A 21 -4.449 -9.701 -0.659 1.00 0.55 C ATOM 270 C HIS A 21 -5.215 -9.687 -1.994 1.00 0.86 C ATOM 271 O HIS A 21 -6.221 -10.379 -2.125 1.00 2.01 O ATOM 272 CB HIS A 21 -5.317 -9.993 0.579 1.00 0.90 C ATOM 273 CG HIS A 21 -6.375 -8.991 0.971 1.00 1.87 C ATOM 274 ND1 HIS A 21 -6.428 -8.338 2.184 1.00 3.60 N ATOM 275 CD2 HIS A 21 -7.610 -8.856 0.389 1.00 2.89 C ATOM 276 CE1 HIS A 21 -7.646 -7.788 2.304 1.00 4.81 C ATOM 277 NE2 HIS A 21 -8.406 -8.077 1.235 1.00 4.45 N ATOM 0 H HIS A 21 -4.145 -7.711 -0.189 1.00 0.48 H new ATOM 0 HA HIS A 21 -3.785 -10.557 -0.776 1.00 0.55 H new ATOM 0 HB2 HIS A 21 -5.812 -10.951 0.418 1.00 0.90 H new ATOM 0 HB3 HIS A 21 -4.648 -10.118 1.430 1.00 0.90 H new ATOM 0 HD1 HIS A 21 -5.674 -8.283 2.869 1.00 3.60 H new ATOM 0 HD2 HIS A 21 -7.914 -9.278 -0.557 1.00 2.89 H new ATOM 0 HE1 HIS A 21 -7.971 -7.194 3.145 1.00 4.81 H new ATOM 285 N PHE A 22 -4.726 -8.950 -2.997 1.00 0.62 N ATOM 286 CA PHE A 22 -5.247 -8.923 -4.359 1.00 0.62 C ATOM 287 C PHE A 22 -4.074 -9.214 -5.298 1.00 0.68 C ATOM 288 O PHE A 22 -3.806 -10.364 -5.641 1.00 0.85 O ATOM 289 CB PHE A 22 -5.883 -7.543 -4.581 1.00 0.65 C ATOM 290 CG PHE A 22 -6.244 -7.179 -6.009 1.00 0.84 C ATOM 291 CD1 PHE A 22 -7.007 -8.058 -6.798 1.00 1.15 C ATOM 292 CD2 PHE A 22 -5.773 -5.971 -6.563 1.00 1.18 C ATOM 293 CE1 PHE A 22 -7.282 -7.741 -8.140 1.00 1.39 C ATOM 294 CE2 PHE A 22 -6.050 -5.655 -7.904 1.00 1.44 C ATOM 295 CZ PHE A 22 -6.802 -6.542 -8.694 1.00 1.42 C ATOM 0 H PHE A 22 -3.924 -8.333 -2.872 1.00 0.62 H new ATOM 0 HA PHE A 22 -6.016 -9.671 -4.550 1.00 0.62 H new ATOM 0 HB2 PHE A 22 -6.788 -7.485 -3.976 1.00 0.65 H new ATOM 0 HB3 PHE A 22 -5.196 -6.787 -4.201 1.00 0.65 H new ATOM 0 HD1 PHE A 22 -7.382 -8.977 -6.373 1.00 1.15 H new ATOM 0 HD2 PHE A 22 -5.198 -5.287 -5.956 1.00 1.18 H new ATOM 0 HE1 PHE A 22 -7.863 -8.420 -8.746 1.00 1.39 H new ATOM 0 HE2 PHE A 22 -5.685 -4.731 -8.328 1.00 1.44 H new ATOM 0 HZ PHE A 22 -7.011 -6.302 -9.726 1.00 1.42 H new ATOM 305 N ASN A 23 -3.343 -8.164 -5.666 1.00 1.05 N ATOM 306 CA ASN A 23 -1.977 -8.239 -6.159 1.00 0.95 C ATOM 307 C ASN A 23 -1.112 -8.638 -4.957 1.00 1.09 C ATOM 308 O ASN A 23 -1.630 -8.936 -3.884 1.00 2.12 O ATOM 309 CB ASN A 23 -1.576 -6.853 -6.688 1.00 0.93 C ATOM 310 CG ASN A 23 -1.563 -5.876 -5.518 1.00 2.28 C ATOM 311 OD1 ASN A 23 -2.606 -5.347 -5.163 1.00 4.50 O ATOM 312 ND2 ASN A 23 -0.414 -5.737 -4.864 1.00 1.66 N ATOM 0 H ASN A 23 -3.700 -7.209 -5.627 1.00 1.05 H new ATOM 0 HA ASN A 23 -1.858 -8.960 -6.968 1.00 0.95 H new ATOM 0 HB2 ASN A 23 -0.593 -6.896 -7.157 1.00 0.93 H new ATOM 0 HB3 ASN A 23 -2.279 -6.521 -7.452 1.00 0.93 H new ATOM 0 HD21 ASN A 23 -0.373 -5.165 -4.020 1.00 1.66 H new ATOM 0 HD22 ASN A 23 0.427 -6.202 -5.206 1.00 1.66 H new ATOM 319 N ARG A 24 0.215 -8.654 -5.092 1.00 0.86 N ATOM 320 CA ARG A 24 1.073 -8.586 -3.944 1.00 0.89 C ATOM 321 C ARG A 24 2.177 -7.541 -4.111 1.00 0.73 C ATOM 322 O ARG A 24 2.424 -6.769 -3.186 1.00 1.05 O ATOM 323 CB ARG A 24 1.619 -9.971 -3.692 1.00 1.10 C ATOM 324 CG ARG A 24 0.493 -10.895 -3.204 1.00 2.18 C ATOM 325 CD ARG A 24 0.927 -12.231 -2.604 1.00 1.72 C ATOM 326 NE ARG A 24 1.818 -12.102 -1.443 1.00 2.03 N ATOM 327 CZ ARG A 24 1.468 -11.746 -0.194 1.00 3.30 C ATOM 328 NH1 ARG A 24 0.329 -11.100 0.081 1.00 3.79 N ATOM 329 NH2 ARG A 24 2.292 -12.059 0.810 1.00 5.04 N ATOM 0 H ARG A 24 0.702 -8.713 -5.986 1.00 0.86 H new ATOM 0 HA ARG A 24 0.504 -8.256 -3.074 1.00 0.89 H new ATOM 0 HB2 ARG A 24 2.059 -10.370 -4.606 1.00 1.10 H new ATOM 0 HB3 ARG A 24 2.415 -9.928 -2.948 1.00 1.10 H new ATOM 0 HG2 ARG A 24 -0.091 -10.358 -2.457 1.00 2.18 H new ATOM 0 HG3 ARG A 24 -0.172 -11.097 -4.044 1.00 2.18 H new ATOM 0 HD2 ARG A 24 0.040 -12.790 -2.308 1.00 1.72 H new ATOM 0 HD3 ARG A 24 1.431 -12.817 -3.373 1.00 1.72 H new ATOM 0 HE ARG A 24 2.805 -12.304 -1.601 1.00 2.03 H new ATOM 0 HH11 ARG A 24 -0.315 -10.858 -0.672 1.00 3.79 H new ATOM 0 HH12 ARG A 24 0.104 -10.850 1.044 1.00 3.79 H new ATOM 0 HH21 ARG A 24 3.162 -12.556 0.620 1.00 5.04 H new ATOM 0 HH22 ARG A 24 2.051 -11.801 1.767 1.00 5.04 H new ATOM 343 N TYR A 25 2.843 -7.504 -5.268 1.00 0.59 N ATOM 344 CA TYR A 25 3.652 -6.363 -5.694 1.00 0.74 C ATOM 345 C TYR A 25 2.774 -5.439 -6.543 1.00 0.97 C ATOM 346 O TYR A 25 1.603 -5.751 -6.747 1.00 1.68 O ATOM 347 CB TYR A 25 4.912 -6.860 -6.411 1.00 0.99 C ATOM 348 CG TYR A 25 5.896 -7.487 -5.443 1.00 1.53 C ATOM 349 CD1 TYR A 25 6.727 -6.654 -4.671 1.00 2.12 C ATOM 350 CD2 TYR A 25 5.815 -8.860 -5.142 1.00 1.87 C ATOM 351 CE1 TYR A 25 7.419 -7.178 -3.567 1.00 2.69 C ATOM 352 CE2 TYR A 25 6.520 -9.384 -4.045 1.00 2.43 C ATOM 353 CZ TYR A 25 7.327 -8.544 -3.260 1.00 2.73 C ATOM 354 OH TYR A 25 7.718 -8.957 -2.021 1.00 3.35 O ATOM 0 H TYR A 25 2.835 -8.272 -5.939 1.00 0.59 H new ATOM 0 HA TYR A 25 4.006 -5.780 -4.844 1.00 0.74 H new ATOM 0 HB2 TYR A 25 4.634 -7.590 -7.172 1.00 0.99 H new ATOM 0 HB3 TYR A 25 5.390 -6.027 -6.927 1.00 0.99 H new ATOM 0 HD1 TYR A 25 6.833 -5.610 -4.928 1.00 2.12 H new ATOM 0 HD2 TYR A 25 5.210 -9.512 -5.755 1.00 1.87 H new ATOM 0 HE1 TYR A 25 8.024 -6.528 -2.952 1.00 2.69 H new ATOM 0 HE2 TYR A 25 6.441 -10.434 -3.805 1.00 2.43 H new ATOM 0 HH TYR A 25 7.599 -9.927 -1.947 1.00 3.35 H new ATOM 364 N LEU A 26 3.301 -4.292 -6.979 1.00 0.99 N ATOM 365 CA LEU A 26 2.569 -3.227 -7.625 1.00 1.13 C ATOM 366 C LEU A 26 3.409 -2.697 -8.782 1.00 1.25 C ATOM 367 O LEU A 26 4.637 -2.752 -8.716 1.00 1.47 O ATOM 368 CB LEU A 26 2.342 -2.092 -6.618 1.00 1.19 C ATOM 369 CG LEU A 26 1.283 -2.391 -5.548 1.00 1.17 C ATOM 370 CD1 LEU A 26 1.322 -1.269 -4.505 1.00 1.37 C ATOM 371 CD2 LEU A 26 -0.130 -2.483 -6.123 1.00 1.28 C ATOM 0 H LEU A 26 4.294 -4.082 -6.882 1.00 0.99 H new ATOM 0 HA LEU A 26 1.610 -3.596 -7.988 1.00 1.13 H new ATOM 0 HB2 LEU A 26 3.287 -1.868 -6.123 1.00 1.19 H new ATOM 0 HB3 LEU A 26 2.047 -1.195 -7.162 1.00 1.19 H new ATOM 0 HG LEU A 26 1.517 -3.361 -5.109 1.00 1.17 H new ATOM 0 HD11 LEU A 26 0.576 -1.462 -3.734 1.00 1.37 H new ATOM 0 HD12 LEU A 26 2.312 -1.229 -4.050 1.00 1.37 H new ATOM 0 HD13 LEU A 26 1.106 -0.316 -4.988 1.00 1.37 H new ATOM 0 HD21 LEU A 26 -0.836 -2.696 -5.321 1.00 1.28 H new ATOM 0 HD22 LEU A 26 -0.393 -1.537 -6.596 1.00 1.28 H new ATOM 0 HD23 LEU A 26 -0.170 -3.282 -6.863 1.00 1.28 H new ATOM 383 N THR A 27 2.759 -2.159 -9.818 1.00 1.30 N ATOM 384 CA THR A 27 3.439 -1.438 -10.881 1.00 1.42 C ATOM 385 C THR A 27 3.772 -0.027 -10.390 1.00 1.09 C ATOM 386 O THR A 27 3.234 0.423 -9.377 1.00 1.79 O ATOM 387 CB THR A 27 2.535 -1.388 -12.124 1.00 1.93 C ATOM 388 OG1 THR A 27 1.344 -0.679 -11.836 1.00 3.50 O ATOM 389 CG2 THR A 27 2.179 -2.798 -12.608 1.00 1.41 C ATOM 0 H THR A 27 1.748 -2.215 -9.937 1.00 1.30 H new ATOM 0 HA THR A 27 4.366 -1.945 -11.151 1.00 1.42 H new ATOM 0 HB THR A 27 3.086 -0.876 -12.913 1.00 1.93 H new ATOM 0 HG1 THR A 27 1.107 -0.114 -12.601 1.00 3.50 H new ATOM 0 HG21 THR A 27 1.539 -2.730 -13.488 1.00 1.41 H new ATOM 0 HG22 THR A 27 3.092 -3.336 -12.864 1.00 1.41 H new ATOM 0 HG23 THR A 27 1.653 -3.332 -11.817 1.00 1.41 H new ATOM 397 N ARG A 28 4.620 0.695 -11.133 1.00 1.00 N ATOM 398 CA ARG A 28 4.852 2.116 -10.902 1.00 0.97 C ATOM 399 C ARG A 28 3.510 2.845 -10.823 1.00 0.78 C ATOM 400 O ARG A 28 3.222 3.524 -9.835 1.00 0.77 O ATOM 401 CB ARG A 28 5.730 2.685 -12.033 1.00 1.35 C ATOM 402 CG ARG A 28 5.853 4.221 -12.037 1.00 2.03 C ATOM 403 CD ARG A 28 6.565 4.784 -10.798 1.00 2.75 C ATOM 404 NE ARG A 28 7.981 4.379 -10.747 1.00 3.34 N ATOM 405 CZ ARG A 28 8.979 4.939 -11.455 1.00 3.95 C ATOM 406 NH1 ARG A 28 8.721 5.948 -12.294 1.00 4.12 N ATOM 407 NH2 ARG A 28 10.230 4.484 -11.325 1.00 5.22 N ATOM 0 H ARG A 28 5.160 0.308 -11.907 1.00 1.00 H new ATOM 0 HA ARG A 28 5.376 2.260 -9.957 1.00 0.97 H new ATOM 0 HB2 ARG A 28 6.728 2.254 -11.953 1.00 1.35 H new ATOM 0 HB3 ARG A 28 5.320 2.364 -12.990 1.00 1.35 H new ATOM 0 HG2 ARG A 28 6.396 4.531 -12.930 1.00 2.03 H new ATOM 0 HG3 ARG A 28 4.856 4.657 -12.102 1.00 2.03 H new ATOM 0 HD2 ARG A 28 6.498 5.872 -10.804 1.00 2.75 H new ATOM 0 HD3 ARG A 28 6.056 4.439 -9.898 1.00 2.75 H new ATOM 0 HE ARG A 28 8.225 3.610 -10.123 1.00 3.34 H new ATOM 0 HH11 ARG A 28 7.767 6.294 -12.398 1.00 4.12 H new ATOM 0 HH12 ARG A 28 9.478 6.372 -12.830 1.00 4.12 H new ATOM 0 HH21 ARG A 28 10.428 3.712 -10.689 1.00 5.22 H new ATOM 0 HH22 ARG A 28 10.986 4.909 -11.862 1.00 5.22 H new ATOM 421 N ARG A 29 2.698 2.710 -11.880 1.00 0.80 N ATOM 422 CA ARG A 29 1.466 3.472 -11.964 1.00 0.78 C ATOM 423 C ARG A 29 0.527 3.061 -10.841 1.00 0.66 C ATOM 424 O ARG A 29 -0.007 3.946 -10.178 1.00 0.66 O ATOM 425 CB ARG A 29 0.787 3.390 -13.343 1.00 1.08 C ATOM 426 CG ARG A 29 0.011 4.696 -13.593 1.00 1.45 C ATOM 427 CD ARG A 29 -0.933 4.639 -14.808 1.00 1.88 C ATOM 428 NE ARG A 29 -2.299 4.214 -14.444 1.00 2.19 N ATOM 429 CZ ARG A 29 -3.195 4.975 -13.786 1.00 2.63 C ATOM 430 NH1 ARG A 29 -2.905 6.228 -13.434 1.00 3.13 N ATOM 431 NH2 ARG A 29 -4.390 4.498 -13.432 1.00 3.73 N ATOM 0 H ARG A 29 2.875 2.090 -12.670 1.00 0.80 H new ATOM 0 HA ARG A 29 1.726 4.523 -11.841 1.00 0.78 H new ATOM 0 HB2 ARG A 29 1.534 3.240 -14.123 1.00 1.08 H new ATOM 0 HB3 ARG A 29 0.111 2.536 -13.380 1.00 1.08 H new ATOM 0 HG2 ARG A 29 -0.572 4.937 -12.704 1.00 1.45 H new ATOM 0 HG3 ARG A 29 0.723 5.508 -13.737 1.00 1.45 H new ATOM 0 HD2 ARG A 29 -0.975 5.622 -15.278 1.00 1.88 H new ATOM 0 HD3 ARG A 29 -0.526 3.949 -15.548 1.00 1.88 H new ATOM 0 HE ARG A 29 -2.586 3.272 -14.711 1.00 2.19 H new ATOM 0 HH11 ARG A 29 -1.993 6.624 -13.663 1.00 3.13 H new ATOM 0 HH12 ARG A 29 -3.595 6.791 -12.936 1.00 3.13 H new ATOM 0 HH21 ARG A 29 -4.643 3.536 -13.659 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -5.050 5.095 -12.934 1.00 3.73 H new ATOM 445 N ARG A 30 0.334 1.754 -10.594 1.00 0.66 N ATOM 446 CA ARG A 30 -0.529 1.378 -9.495 1.00 0.62 C ATOM 447 C ARG A 30 0.019 1.981 -8.202 1.00 0.47 C ATOM 448 O ARG A 30 -0.744 2.655 -7.540 1.00 0.49 O ATOM 449 CB ARG A 30 -0.796 -0.130 -9.392 1.00 0.78 C ATOM 450 CG ARG A 30 -2.206 -0.442 -8.838 1.00 1.16 C ATOM 451 CD ARG A 30 -2.609 0.399 -7.612 1.00 1.36 C ATOM 452 NE ARG A 30 -3.801 -0.090 -6.892 1.00 1.28 N ATOM 453 CZ ARG A 30 -4.746 0.672 -6.299 1.00 1.85 C ATOM 454 NH1 ARG A 30 -4.864 1.979 -6.560 1.00 2.95 N ATOM 455 NH2 ARG A 30 -5.574 0.133 -5.405 1.00 2.09 N ATOM 0 H ARG A 30 0.747 0.984 -11.119 1.00 0.66 H new ATOM 0 HA ARG A 30 -1.518 1.793 -9.690 1.00 0.62 H new ATOM 0 HB2 ARG A 30 -0.687 -0.584 -10.377 1.00 0.78 H new ATOM 0 HB3 ARG A 30 -0.046 -0.586 -8.746 1.00 0.78 H new ATOM 0 HG2 ARG A 30 -2.938 -0.281 -9.630 1.00 1.16 H new ATOM 0 HG3 ARG A 30 -2.252 -1.498 -8.570 1.00 1.16 H new ATOM 0 HD2 ARG A 30 -1.769 0.429 -6.918 1.00 1.36 H new ATOM 0 HD3 ARG A 30 -2.792 1.424 -7.936 1.00 1.36 H new ATOM 0 HE ARG A 30 -3.923 -1.101 -6.837 1.00 1.28 H new ATOM 0 HH11 ARG A 30 -4.230 2.426 -7.223 1.00 2.95 H new ATOM 0 HH12 ARG A 30 -5.588 2.528 -6.096 1.00 2.95 H new ATOM 0 HH21 ARG A 30 -5.495 -0.856 -5.168 1.00 2.09 H new ATOM 0 HH22 ARG A 30 -6.287 0.709 -4.958 1.00 2.09 H new ATOM 469 N ARG A 31 1.297 1.819 -7.839 1.00 0.47 N ATOM 470 CA ARG A 31 1.817 2.378 -6.582 1.00 0.53 C ATOM 471 C ARG A 31 1.506 3.871 -6.446 1.00 0.47 C ATOM 472 O ARG A 31 1.001 4.313 -5.415 1.00 0.53 O ATOM 473 CB ARG A 31 3.306 2.097 -6.407 1.00 0.77 C ATOM 474 CG ARG A 31 3.478 1.978 -4.893 1.00 1.19 C ATOM 475 CD ARG A 31 4.855 1.547 -4.467 1.00 1.22 C ATOM 476 NE ARG A 31 5.792 2.676 -4.531 1.00 1.86 N ATOM 477 CZ ARG A 31 7.117 2.648 -4.713 1.00 2.78 C ATOM 478 NH1 ARG A 31 7.746 1.482 -4.898 1.00 3.70 N ATOM 479 NH2 ARG A 31 7.812 3.788 -4.706 1.00 3.56 N ATOM 0 H ARG A 31 1.987 1.310 -8.392 1.00 0.47 H new ATOM 0 HA ARG A 31 1.296 1.867 -5.772 1.00 0.53 H new ATOM 0 HB2 ARG A 31 3.603 1.180 -6.917 1.00 0.77 H new ATOM 0 HB3 ARG A 31 3.916 2.902 -6.817 1.00 0.77 H new ATOM 0 HG2 ARG A 31 3.252 2.941 -4.435 1.00 1.19 H new ATOM 0 HG3 ARG A 31 2.750 1.263 -4.510 1.00 1.19 H new ATOM 0 HD2 ARG A 31 4.821 1.153 -3.451 1.00 1.22 H new ATOM 0 HD3 ARG A 31 5.205 0.740 -5.111 1.00 1.22 H new ATOM 0 HE ARG A 31 5.379 3.602 -4.423 1.00 1.86 H new ATOM 0 HH11 ARG A 31 7.215 0.611 -4.901 1.00 3.70 H new ATOM 0 HH12 ARG A 31 8.756 1.464 -5.037 1.00 3.70 H new ATOM 0 HH21 ARG A 31 7.333 4.677 -4.562 1.00 3.56 H new ATOM 0 HH22 ARG A 31 8.822 3.770 -4.844 1.00 3.56 H new ATOM 493 N ILE A 32 1.749 4.649 -7.500 1.00 0.48 N ATOM 494 CA ILE A 32 1.344 6.047 -7.485 1.00 0.56 C ATOM 495 C ILE A 32 -0.160 6.178 -7.240 1.00 0.57 C ATOM 496 O ILE A 32 -0.605 7.020 -6.463 1.00 0.64 O ATOM 497 CB ILE A 32 1.814 6.733 -8.782 1.00 0.64 C ATOM 498 CG1 ILE A 32 3.295 7.121 -8.656 1.00 0.76 C ATOM 499 CG2 ILE A 32 0.962 7.949 -9.170 1.00 0.79 C ATOM 500 CD1 ILE A 32 3.519 8.321 -7.727 1.00 0.86 C ATOM 0 H ILE A 32 2.213 4.342 -8.355 1.00 0.48 H new ATOM 0 HA ILE A 32 1.825 6.563 -6.654 1.00 0.56 H new ATOM 0 HB ILE A 32 1.689 6.011 -9.589 1.00 0.64 H new ATOM 0 HG12 ILE A 32 3.859 6.267 -8.281 1.00 0.76 H new ATOM 0 HG13 ILE A 32 3.690 7.354 -9.645 1.00 0.76 H new ATOM 0 HG21 ILE A 32 1.348 8.384 -10.092 1.00 0.79 H new ATOM 0 HG22 ILE A 32 -0.071 7.636 -9.321 1.00 0.79 H new ATOM 0 HG23 ILE A 32 1.004 8.692 -8.373 1.00 0.79 H new ATOM 0 HD11 ILE A 32 4.584 8.549 -7.677 1.00 0.86 H new ATOM 0 HD12 ILE A 32 2.981 9.186 -8.114 1.00 0.86 H new ATOM 0 HD13 ILE A 32 3.152 8.082 -6.729 1.00 0.86 H new ATOM 512 N GLU A 33 -0.954 5.339 -7.894 1.00 0.56 N ATOM 513 CA GLU A 33 -2.390 5.476 -7.904 1.00 0.63 C ATOM 514 C GLU A 33 -2.934 5.040 -6.534 1.00 0.51 C ATOM 515 O GLU A 33 -3.901 5.619 -6.050 1.00 0.49 O ATOM 516 CB GLU A 33 -2.913 4.568 -9.020 1.00 0.77 C ATOM 517 CG GLU A 33 -3.079 5.280 -10.366 1.00 1.12 C ATOM 518 CD GLU A 33 -4.141 6.363 -10.509 1.00 2.72 C ATOM 519 OE1 GLU A 33 -4.207 7.262 -9.646 1.00 4.25 O ATOM 520 OE2 GLU A 33 -4.775 6.327 -11.591 1.00 3.38 O ATOM 0 H GLU A 33 -0.610 4.544 -8.432 1.00 0.56 H new ATOM 0 HA GLU A 33 -2.707 6.503 -8.083 1.00 0.63 H new ATOM 0 HB2 GLU A 33 -2.228 3.729 -9.145 1.00 0.77 H new ATOM 0 HB3 GLU A 33 -3.874 4.152 -8.718 1.00 0.77 H new ATOM 0 HG2 GLU A 33 -2.118 5.727 -10.621 1.00 1.12 H new ATOM 0 HG3 GLU A 33 -3.285 4.517 -11.117 1.00 1.12 H new ATOM 527 N ILE A 34 -2.350 4.021 -5.880 1.00 0.47 N ATOM 528 CA ILE A 34 -2.743 3.675 -4.532 1.00 0.46 C ATOM 529 C ILE A 34 -2.309 4.841 -3.637 1.00 0.44 C ATOM 530 O ILE A 34 -3.062 5.226 -2.745 1.00 0.51 O ATOM 531 CB ILE A 34 -2.228 2.285 -4.070 1.00 0.52 C ATOM 532 CG1 ILE A 34 -2.183 2.260 -2.549 1.00 0.63 C ATOM 533 CG2 ILE A 34 -0.812 1.887 -4.448 1.00 0.57 C ATOM 534 CD1 ILE A 34 -2.209 0.893 -1.870 1.00 1.03 C ATOM 0 H ILE A 34 -1.612 3.436 -6.272 1.00 0.47 H new ATOM 0 HA ILE A 34 -3.824 3.547 -4.470 1.00 0.46 H new ATOM 0 HB ILE A 34 -2.921 1.607 -4.568 1.00 0.52 H new ATOM 0 HG12 ILE A 34 -1.279 2.778 -2.230 1.00 0.63 H new ATOM 0 HG13 ILE A 34 -3.029 2.838 -2.177 1.00 0.63 H new ATOM 0 HG21 ILE A 34 -0.597 0.893 -4.056 1.00 0.57 H new ATOM 0 HG22 ILE A 34 -0.714 1.878 -5.534 1.00 0.57 H new ATOM 0 HG23 ILE A 34 -0.108 2.604 -4.026 1.00 0.57 H new ATOM 0 HD11 ILE A 34 -2.172 1.023 -0.788 1.00 1.03 H new ATOM 0 HD12 ILE A 34 -3.126 0.369 -2.141 1.00 1.03 H new ATOM 0 HD13 ILE A 34 -1.348 0.309 -2.195 1.00 1.03 H new ATOM 546 N ALA A 35 -1.135 5.447 -3.869 1.00 0.43 N ATOM 547 CA ALA A 35 -0.755 6.597 -3.067 1.00 0.52 C ATOM 548 C ALA A 35 -1.785 7.715 -3.203 1.00 0.58 C ATOM 549 O ALA A 35 -2.189 8.261 -2.182 1.00 0.64 O ATOM 550 CB ALA A 35 0.671 7.054 -3.389 1.00 0.59 C ATOM 0 H ALA A 35 -0.460 5.166 -4.581 1.00 0.43 H new ATOM 0 HA ALA A 35 -0.748 6.302 -2.018 1.00 0.52 H new ATOM 0 HB1 ALA A 35 0.925 7.916 -2.772 1.00 0.59 H new ATOM 0 HB2 ALA A 35 1.369 6.242 -3.183 1.00 0.59 H new ATOM 0 HB3 ALA A 35 0.736 7.329 -4.442 1.00 0.59 H new ATOM 556 N HIS A 36 -2.274 8.005 -4.415 1.00 0.63 N ATOM 557 CA HIS A 36 -3.418 8.901 -4.592 1.00 0.69 C ATOM 558 C HIS A 36 -4.612 8.435 -3.762 1.00 0.72 C ATOM 559 O HIS A 36 -5.132 9.188 -2.942 1.00 0.82 O ATOM 560 CB HIS A 36 -3.855 8.995 -6.061 1.00 0.70 C ATOM 561 CG HIS A 36 -2.807 9.488 -7.011 1.00 0.66 C ATOM 562 ND1 HIS A 36 -2.731 9.169 -8.348 1.00 0.86 N ATOM 563 CD2 HIS A 36 -1.858 10.436 -6.742 1.00 0.74 C ATOM 564 CE1 HIS A 36 -1.739 9.909 -8.872 1.00 0.84 C ATOM 565 NE2 HIS A 36 -1.175 10.694 -7.935 1.00 0.75 N ATOM 0 H HIS A 36 -1.894 7.632 -5.285 1.00 0.63 H new ATOM 0 HA HIS A 36 -3.090 9.885 -4.256 1.00 0.69 H new ATOM 0 HB2 HIS A 36 -4.184 8.009 -6.389 1.00 0.70 H new ATOM 0 HB3 HIS A 36 -4.719 9.656 -6.124 1.00 0.70 H new ATOM 0 HD1 HIS A 36 -3.316 8.498 -8.846 1.00 0.86 H new ATOM 0 HD2 HIS A 36 -1.671 10.900 -5.785 1.00 0.74 H new ATOM 0 HE1 HIS A 36 -1.435 9.878 -9.908 1.00 0.84 H new ATOM 573 N ALA A 37 -5.054 7.197 -3.998 1.00 0.64 N ATOM 574 CA ALA A 37 -6.253 6.639 -3.392 1.00 0.64 C ATOM 575 C ALA A 37 -6.202 6.716 -1.867 1.00 0.60 C ATOM 576 O ALA A 37 -7.221 6.970 -1.229 1.00 0.65 O ATOM 577 CB ALA A 37 -6.457 5.200 -3.866 1.00 0.63 C ATOM 0 H ALA A 37 -4.578 6.549 -4.626 1.00 0.64 H new ATOM 0 HA ALA A 37 -7.106 7.237 -3.712 1.00 0.64 H new ATOM 0 HB1 ALA A 37 -7.357 4.790 -3.407 1.00 0.63 H new ATOM 0 HB2 ALA A 37 -6.564 5.186 -4.951 1.00 0.63 H new ATOM 0 HB3 ALA A 37 -5.596 4.597 -3.578 1.00 0.63 H new ATOM 583 N LEU A 38 -5.021 6.524 -1.270 1.00 0.54 N ATOM 584 CA LEU A 38 -4.878 6.679 0.165 1.00 0.52 C ATOM 585 C LEU A 38 -4.794 8.149 0.525 1.00 0.47 C ATOM 586 O LEU A 38 -5.384 8.601 1.501 1.00 0.48 O ATOM 587 CB LEU A 38 -3.623 5.979 0.668 1.00 0.58 C ATOM 588 CG LEU A 38 -3.872 4.533 1.097 1.00 1.09 C ATOM 589 CD1 LEU A 38 -3.791 3.587 -0.082 1.00 1.50 C ATOM 590 CD2 LEU A 38 -2.851 4.075 2.134 1.00 2.91 C ATOM 0 H LEU A 38 -4.165 6.264 -1.759 1.00 0.54 H new ATOM 0 HA LEU A 38 -5.751 6.228 0.636 1.00 0.52 H new ATOM 0 HB2 LEU A 38 -2.867 5.993 -0.117 1.00 0.58 H new ATOM 0 HB3 LEU A 38 -3.217 6.537 1.512 1.00 0.58 H new ATOM 0 HG LEU A 38 -4.874 4.510 1.526 1.00 1.09 H new ATOM 0 HD11 LEU A 38 -3.973 2.567 0.257 1.00 1.50 H new ATOM 0 HD12 LEU A 38 -4.542 3.863 -0.822 1.00 1.50 H new ATOM 0 HD13 LEU A 38 -2.800 3.649 -0.531 1.00 1.50 H new ATOM 0 HD21 LEU A 38 -3.058 3.043 2.417 1.00 2.91 H new ATOM 0 HD22 LEU A 38 -1.848 4.142 1.712 1.00 2.91 H new ATOM 0 HD23 LEU A 38 -2.917 4.713 3.016 1.00 2.91 H new ATOM 602 N SER A 39 -3.951 8.842 -0.224 1.00 0.54 N ATOM 603 CA SER A 39 -3.312 10.101 0.072 1.00 0.58 C ATOM 604 C SER A 39 -2.227 9.964 1.140 1.00 0.58 C ATOM 605 O SER A 39 -2.049 10.825 1.997 1.00 0.79 O ATOM 606 CB SER A 39 -4.270 11.295 0.129 1.00 0.68 C ATOM 607 OG SER A 39 -5.102 11.283 1.272 1.00 1.59 O ATOM 0 H SER A 39 -3.675 8.497 -1.143 1.00 0.54 H new ATOM 0 HA SER A 39 -2.725 10.400 -0.796 1.00 0.58 H new ATOM 0 HB2 SER A 39 -3.691 12.219 0.118 1.00 0.68 H new ATOM 0 HB3 SER A 39 -4.892 11.297 -0.766 1.00 0.68 H new ATOM 0 HG SER A 39 -5.382 10.364 1.463 1.00 1.59 H new ATOM 613 N LEU A 40 -1.443 8.883 1.020 1.00 0.69 N ATOM 614 CA LEU A 40 -0.124 8.776 1.620 1.00 0.68 C ATOM 615 C LEU A 40 0.947 9.150 0.596 1.00 0.62 C ATOM 616 O LEU A 40 0.707 9.167 -0.606 1.00 1.00 O ATOM 617 CB LEU A 40 0.109 7.352 2.133 1.00 0.75 C ATOM 618 CG LEU A 40 -0.528 7.071 3.500 1.00 0.95 C ATOM 619 CD1 LEU A 40 -0.142 5.662 3.966 1.00 1.38 C ATOM 620 CD2 LEU A 40 -0.059 8.081 4.553 1.00 1.06 C ATOM 0 H LEU A 40 -1.719 8.053 0.495 1.00 0.69 H new ATOM 0 HA LEU A 40 -0.062 9.465 2.463 1.00 0.68 H new ATOM 0 HB2 LEU A 40 -0.289 6.645 1.405 1.00 0.75 H new ATOM 0 HB3 LEU A 40 1.182 7.171 2.199 1.00 0.75 H new ATOM 0 HG LEU A 40 -1.609 7.156 3.389 1.00 0.95 H new ATOM 0 HD11 LEU A 40 -0.595 5.463 4.937 1.00 1.38 H new ATOM 0 HD12 LEU A 40 -0.499 4.929 3.242 1.00 1.38 H new ATOM 0 HD13 LEU A 40 0.942 5.591 4.050 1.00 1.38 H new ATOM 0 HD21 LEU A 40 -0.529 7.854 5.510 1.00 1.06 H new ATOM 0 HD22 LEU A 40 1.024 8.021 4.657 1.00 1.06 H new ATOM 0 HD23 LEU A 40 -0.338 9.088 4.242 1.00 1.06 H new ATOM 632 N THR A 41 2.155 9.439 1.087 1.00 0.54 N ATOM 633 CA THR A 41 3.200 10.126 0.334 1.00 0.57 C ATOM 634 C THR A 41 4.132 9.132 -0.384 1.00 0.60 C ATOM 635 O THR A 41 5.328 9.378 -0.513 1.00 0.92 O ATOM 636 CB THR A 41 3.910 11.126 1.275 1.00 0.89 C ATOM 637 OG1 THR A 41 4.840 11.929 0.580 1.00 1.86 O ATOM 638 CG2 THR A 41 4.633 10.447 2.448 1.00 1.29 C ATOM 0 H THR A 41 2.436 9.196 2.037 1.00 0.54 H new ATOM 0 HA THR A 41 2.768 10.707 -0.481 1.00 0.57 H new ATOM 0 HB THR A 41 3.110 11.747 1.678 1.00 0.89 H new ATOM 0 HG1 THR A 41 5.317 11.382 -0.078 1.00 1.86 H new ATOM 0 HG21 THR A 41 5.110 11.205 3.069 1.00 1.29 H new ATOM 0 HG22 THR A 41 3.912 9.889 3.046 1.00 1.29 H new ATOM 0 HG23 THR A 41 5.390 9.765 2.063 1.00 1.29 H new ATOM 646 N GLU A 42 3.582 8.010 -0.874 1.00 0.53 N ATOM 647 CA GLU A 42 4.185 7.123 -1.878 1.00 0.66 C ATOM 648 C GLU A 42 5.299 6.251 -1.283 1.00 0.68 C ATOM 649 O GLU A 42 5.179 5.029 -1.180 1.00 0.67 O ATOM 650 CB GLU A 42 4.648 7.968 -3.084 1.00 0.97 C ATOM 651 CG GLU A 42 4.525 7.258 -4.434 1.00 1.65 C ATOM 652 CD GLU A 42 5.400 6.028 -4.569 1.00 2.16 C ATOM 653 OE1 GLU A 42 6.524 6.019 -4.023 1.00 2.72 O ATOM 654 OE2 GLU A 42 4.951 5.067 -5.224 1.00 3.33 O ATOM 0 H GLU A 42 2.666 7.683 -0.567 1.00 0.53 H new ATOM 0 HA GLU A 42 3.436 6.414 -2.231 1.00 0.66 H new ATOM 0 HB2 GLU A 42 4.063 8.887 -3.115 1.00 0.97 H new ATOM 0 HB3 GLU A 42 5.688 8.258 -2.932 1.00 0.97 H new ATOM 0 HG2 GLU A 42 3.485 6.969 -4.587 1.00 1.65 H new ATOM 0 HG3 GLU A 42 4.781 7.961 -5.227 1.00 1.65 H new ATOM 661 N ARG A 43 6.348 6.907 -0.798 1.00 0.79 N ATOM 662 CA ARG A 43 7.417 6.323 -0.005 1.00 0.87 C ATOM 663 C ARG A 43 6.795 5.471 1.103 1.00 0.76 C ATOM 664 O ARG A 43 7.196 4.334 1.339 1.00 0.74 O ATOM 665 CB ARG A 43 8.288 7.436 0.585 1.00 0.97 C ATOM 666 CG ARG A 43 8.843 8.413 -0.465 1.00 2.69 C ATOM 667 CD ARG A 43 9.525 9.600 0.230 1.00 2.82 C ATOM 668 NE ARG A 43 9.767 10.714 -0.705 1.00 4.30 N ATOM 669 CZ ARG A 43 10.815 10.838 -1.535 1.00 5.16 C ATOM 670 NH1 ARG A 43 11.737 9.872 -1.595 1.00 5.16 N ATOM 671 NH2 ARG A 43 10.934 11.928 -2.303 1.00 6.70 N ATOM 0 H ARG A 43 6.479 7.906 -0.956 1.00 0.79 H new ATOM 0 HA ARG A 43 8.050 5.692 -0.628 1.00 0.87 H new ATOM 0 HB2 ARG A 43 7.702 7.995 1.314 1.00 0.97 H new ATOM 0 HB3 ARG A 43 9.121 6.985 1.124 1.00 0.97 H new ATOM 0 HG2 ARG A 43 9.556 7.900 -1.110 1.00 2.69 H new ATOM 0 HG3 ARG A 43 8.035 8.770 -1.104 1.00 2.69 H new ATOM 0 HD2 ARG A 43 8.902 9.946 1.055 1.00 2.82 H new ATOM 0 HD3 ARG A 43 10.472 9.274 0.661 1.00 2.82 H new ATOM 0 HE ARG A 43 9.073 11.461 -0.723 1.00 4.30 H new ATOM 0 HH11 ARG A 43 11.644 9.041 -1.010 1.00 5.16 H new ATOM 0 HH12 ARG A 43 12.533 9.966 -2.225 1.00 5.16 H new ATOM 0 HH21 ARG A 43 10.229 12.664 -2.257 1.00 6.70 H new ATOM 0 HH22 ARG A 43 11.730 12.023 -2.934 1.00 6.70 H new ATOM 685 N GLN A 44 5.770 6.030 1.750 1.00 0.70 N ATOM 686 CA GLN A 44 5.023 5.372 2.808 1.00 0.64 C ATOM 687 C GLN A 44 4.404 4.061 2.342 1.00 0.49 C ATOM 688 O GLN A 44 4.340 3.113 3.109 1.00 0.39 O ATOM 689 CB GLN A 44 3.919 6.304 3.316 1.00 0.63 C ATOM 690 CG GLN A 44 3.786 6.234 4.843 1.00 1.08 C ATOM 691 CD GLN A 44 5.026 6.756 5.564 1.00 1.28 C ATOM 692 OE1 GLN A 44 5.908 5.991 5.939 1.00 2.88 O ATOM 693 NE2 GLN A 44 5.119 8.069 5.748 1.00 1.89 N ATOM 0 H GLN A 44 5.435 6.971 1.544 1.00 0.70 H new ATOM 0 HA GLN A 44 5.724 5.143 3.611 1.00 0.64 H new ATOM 0 HB2 GLN A 44 4.138 7.328 3.015 1.00 0.63 H new ATOM 0 HB3 GLN A 44 2.970 6.032 2.854 1.00 0.63 H new ATOM 0 HG2 GLN A 44 2.917 6.814 5.155 1.00 1.08 H new ATOM 0 HG3 GLN A 44 3.604 5.202 5.141 1.00 1.08 H new ATOM 0 HE21 GLN A 44 4.371 8.683 5.426 1.00 1.89 H new ATOM 0 HE22 GLN A 44 5.938 8.462 6.211 1.00 1.89 H new ATOM 702 N ILE A 45 3.917 4.016 1.104 1.00 0.52 N ATOM 703 CA ILE A 45 3.331 2.806 0.530 1.00 0.46 C ATOM 704 C ILE A 45 4.421 1.749 0.381 1.00 0.46 C ATOM 705 O ILE A 45 4.242 0.618 0.825 1.00 0.42 O ATOM 706 CB ILE A 45 2.617 3.105 -0.800 1.00 0.53 C ATOM 707 CG1 ILE A 45 1.569 4.210 -0.617 1.00 0.66 C ATOM 708 CG2 ILE A 45 1.984 1.863 -1.447 1.00 0.52 C ATOM 709 CD1 ILE A 45 0.352 3.840 0.227 1.00 1.80 C ATOM 0 H ILE A 45 3.917 4.816 0.471 1.00 0.52 H new ATOM 0 HA ILE A 45 2.564 2.418 1.200 1.00 0.46 H new ATOM 0 HB ILE A 45 3.389 3.450 -1.488 1.00 0.53 H new ATOM 0 HG12 ILE A 45 2.055 5.073 -0.161 1.00 0.66 H new ATOM 0 HG13 ILE A 45 1.223 4.523 -1.602 1.00 0.66 H new ATOM 0 HG21 ILE A 45 1.498 2.147 -2.381 1.00 0.52 H new ATOM 0 HG22 ILE A 45 2.759 1.124 -1.651 1.00 0.52 H new ATOM 0 HG23 ILE A 45 1.245 1.436 -0.769 1.00 0.52 H new ATOM 0 HD11 ILE A 45 -0.321 4.695 0.289 1.00 1.80 H new ATOM 0 HD12 ILE A 45 -0.169 3.001 -0.234 1.00 1.80 H new ATOM 0 HD13 ILE A 45 0.676 3.560 1.229 1.00 1.80 H new ATOM 721 N LYS A 46 5.567 2.108 -0.210 1.00 0.54 N ATOM 722 CA LYS A 46 6.714 1.201 -0.264 1.00 0.57 C ATOM 723 C LYS A 46 7.081 0.689 1.144 1.00 0.49 C ATOM 724 O LYS A 46 7.229 -0.517 1.356 1.00 0.49 O ATOM 725 CB LYS A 46 7.902 1.892 -0.963 1.00 0.76 C ATOM 726 CG LYS A 46 9.270 1.214 -0.764 1.00 1.02 C ATOM 727 CD LYS A 46 9.328 -0.226 -1.304 1.00 2.09 C ATOM 728 CE LYS A 46 10.539 -1.005 -0.765 1.00 3.23 C ATOM 729 NZ LYS A 46 11.837 -0.382 -1.106 1.00 3.70 N ATOM 0 H LYS A 46 5.722 3.013 -0.654 1.00 0.54 H new ATOM 0 HA LYS A 46 6.447 0.325 -0.855 1.00 0.57 H new ATOM 0 HB2 LYS A 46 7.693 1.944 -2.032 1.00 0.76 H new ATOM 0 HB3 LYS A 46 7.968 2.918 -0.601 1.00 0.76 H new ATOM 0 HG2 LYS A 46 10.037 1.810 -1.259 1.00 1.02 H new ATOM 0 HG3 LYS A 46 9.510 1.204 0.299 1.00 1.02 H new ATOM 0 HD2 LYS A 46 8.412 -0.750 -1.032 1.00 2.09 H new ATOM 0 HD3 LYS A 46 9.370 -0.202 -2.393 1.00 2.09 H new ATOM 0 HE2 LYS A 46 10.457 -1.086 0.319 1.00 3.23 H new ATOM 0 HE3 LYS A 46 10.516 -2.020 -1.163 1.00 3.23 H new ATOM 0 HZ1 LYS A 46 12.611 -0.955 -0.714 1.00 3.70 H new ATOM 0 HZ2 LYS A 46 11.935 -0.328 -2.140 1.00 3.70 H new ATOM 0 HZ3 LYS A 46 11.878 0.576 -0.704 1.00 3.70 H new ATOM 743 N ILE A 47 7.259 1.603 2.101 1.00 0.49 N ATOM 744 CA ILE A 47 7.585 1.264 3.484 1.00 0.45 C ATOM 745 C ILE A 47 6.526 0.320 4.058 1.00 0.39 C ATOM 746 O ILE A 47 6.863 -0.746 4.571 1.00 0.40 O ATOM 747 CB ILE A 47 7.818 2.555 4.301 1.00 0.52 C ATOM 748 CG1 ILE A 47 9.314 2.913 4.358 1.00 0.57 C ATOM 749 CG2 ILE A 47 7.305 2.494 5.747 1.00 0.56 C ATOM 750 CD1 ILE A 47 9.984 3.011 2.985 1.00 1.19 C ATOM 0 H ILE A 47 7.180 2.606 1.934 1.00 0.49 H new ATOM 0 HA ILE A 47 8.523 0.711 3.537 1.00 0.45 H new ATOM 0 HB ILE A 47 7.243 3.313 3.770 1.00 0.52 H new ATOM 0 HG12 ILE A 47 9.430 3.865 4.876 1.00 0.57 H new ATOM 0 HG13 ILE A 47 9.834 2.162 4.952 1.00 0.57 H new ATOM 0 HG21 ILE A 47 7.510 3.441 6.246 1.00 0.56 H new ATOM 0 HG22 ILE A 47 6.231 2.310 5.744 1.00 0.56 H new ATOM 0 HG23 ILE A 47 7.810 1.687 6.278 1.00 0.56 H new ATOM 0 HD11 ILE A 47 11.036 3.267 3.111 1.00 1.19 H new ATOM 0 HD12 ILE A 47 9.902 2.053 2.471 1.00 1.19 H new ATOM 0 HD13 ILE A 47 9.491 3.783 2.394 1.00 1.19 H new ATOM 762 N TRP A 48 5.248 0.670 3.926 1.00 0.38 N ATOM 763 CA TRP A 48 4.149 -0.146 4.403 1.00 0.34 C ATOM 764 C TRP A 48 4.238 -1.540 3.790 1.00 0.31 C ATOM 765 O TRP A 48 4.131 -2.537 4.499 1.00 0.32 O ATOM 766 CB TRP A 48 2.791 0.529 4.157 1.00 0.39 C ATOM 767 CG TRP A 48 1.667 -0.231 4.809 1.00 0.38 C ATOM 768 CD1 TRP A 48 1.083 0.101 5.983 1.00 0.38 C ATOM 769 CD2 TRP A 48 1.035 -1.487 4.402 1.00 0.37 C ATOM 770 NE1 TRP A 48 0.164 -0.861 6.342 1.00 0.38 N ATOM 771 CE2 TRP A 48 0.097 -1.869 5.407 1.00 0.37 C ATOM 772 CE3 TRP A 48 1.147 -2.341 3.284 1.00 0.40 C ATOM 773 CZ2 TRP A 48 -0.669 -3.039 5.316 1.00 0.41 C ATOM 774 CZ3 TRP A 48 0.323 -3.469 3.138 1.00 0.42 C ATOM 775 CH2 TRP A 48 -0.588 -3.811 4.150 1.00 0.42 C ATOM 0 H TRP A 48 4.950 1.538 3.480 1.00 0.38 H new ATOM 0 HA TRP A 48 4.231 -0.253 5.485 1.00 0.34 H new ATOM 0 HB2 TRP A 48 2.815 1.547 4.545 1.00 0.39 H new ATOM 0 HB3 TRP A 48 2.609 0.600 3.085 1.00 0.39 H new ATOM 0 HD1 TRP A 48 1.305 0.990 6.555 1.00 0.38 H new ATOM 0 HE1 TRP A 48 -0.396 -0.830 7.194 1.00 0.38 H new ATOM 0 HE3 TRP A 48 1.883 -2.122 2.524 1.00 0.40 H new ATOM 0 HZ2 TRP A 48 -1.311 -3.340 6.131 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 0.390 -4.074 2.246 1.00 0.42 H new ATOM 0 HH2 TRP A 48 -1.228 -4.672 4.029 1.00 0.42 H new ATOM 786 N PHE A 49 4.472 -1.615 2.479 1.00 0.38 N ATOM 787 CA PHE A 49 4.662 -2.868 1.767 1.00 0.46 C ATOM 788 C PHE A 49 5.732 -3.725 2.440 1.00 0.54 C ATOM 789 O PHE A 49 5.516 -4.929 2.607 1.00 0.71 O ATOM 790 CB PHE A 49 4.977 -2.610 0.282 1.00 0.69 C ATOM 791 CG PHE A 49 3.768 -2.723 -0.625 1.00 0.80 C ATOM 792 CD1 PHE A 49 2.556 -2.106 -0.264 1.00 0.68 C ATOM 793 CD2 PHE A 49 3.821 -3.521 -1.782 1.00 1.45 C ATOM 794 CE1 PHE A 49 1.363 -2.468 -0.910 1.00 0.78 C ATOM 795 CE2 PHE A 49 2.637 -3.822 -2.472 1.00 1.58 C ATOM 796 CZ PHE A 49 1.400 -3.366 -1.988 1.00 1.07 C ATOM 0 H PHE A 49 4.535 -0.793 1.879 1.00 0.38 H new ATOM 0 HA PHE A 49 3.730 -3.432 1.808 1.00 0.46 H new ATOM 0 HB2 PHE A 49 5.406 -1.613 0.178 1.00 0.69 H new ATOM 0 HB3 PHE A 49 5.736 -3.320 -0.048 1.00 0.69 H new ATOM 0 HD1 PHE A 49 2.543 -1.353 0.511 1.00 0.68 H new ATOM 0 HD2 PHE A 49 4.768 -3.900 -2.137 1.00 1.45 H new ATOM 0 HE1 PHE A 49 0.421 -2.057 -0.579 1.00 0.78 H new ATOM 0 HE2 PHE A 49 2.677 -4.407 -3.379 1.00 1.58 H new ATOM 0 HZ PHE A 49 0.481 -3.705 -2.443 1.00 1.07 H new ATOM 806 N GLN A 50 6.870 -3.127 2.809 1.00 0.55 N ATOM 807 CA GLN A 50 7.904 -3.826 3.563 1.00 0.71 C ATOM 808 C GLN A 50 7.334 -4.294 4.906 1.00 0.70 C ATOM 809 O GLN A 50 7.363 -5.481 5.225 1.00 0.90 O ATOM 810 CB GLN A 50 9.129 -2.909 3.731 1.00 0.82 C ATOM 811 CG GLN A 50 10.401 -3.647 4.175 1.00 1.18 C ATOM 812 CD GLN A 50 10.383 -4.058 5.645 1.00 3.06 C ATOM 813 OE1 GLN A 50 10.421 -5.238 5.964 1.00 4.57 O ATOM 814 NE2 GLN A 50 10.336 -3.090 6.557 1.00 3.80 N ATOM 0 H GLN A 50 7.094 -2.155 2.594 1.00 0.55 H new ATOM 0 HA GLN A 50 8.233 -4.714 3.023 1.00 0.71 H new ATOM 0 HB2 GLN A 50 9.325 -2.404 2.785 1.00 0.82 H new ATOM 0 HB3 GLN A 50 8.895 -2.136 4.463 1.00 0.82 H new ATOM 0 HG2 GLN A 50 10.530 -4.537 3.558 1.00 1.18 H new ATOM 0 HG3 GLN A 50 11.265 -3.007 3.995 1.00 1.18 H new ATOM 0 HE21 GLN A 50 10.305 -2.114 6.263 1.00 3.80 H new ATOM 0 HE22 GLN A 50 10.331 -3.324 7.550 1.00 3.80 H new ATOM 823 N ASN A 51 6.809 -3.353 5.695 1.00 0.60 N ATOM 824 CA ASN A 51 6.343 -3.606 7.055 1.00 0.75 C ATOM 825 C ASN A 51 5.299 -4.726 7.109 1.00 0.76 C ATOM 826 O ASN A 51 5.267 -5.514 8.062 1.00 1.08 O ATOM 827 CB ASN A 51 5.774 -2.337 7.715 1.00 0.83 C ATOM 828 CG ASN A 51 6.609 -1.065 7.566 1.00 0.89 C ATOM 829 OD1 ASN A 51 6.057 0.029 7.545 1.00 2.07 O ATOM 830 ND2 ASN A 51 7.932 -1.178 7.485 1.00 0.82 N ATOM 0 H ASN A 51 6.696 -2.383 5.401 1.00 0.60 H new ATOM 0 HA ASN A 51 7.221 -3.926 7.616 1.00 0.75 H new ATOM 0 HB2 ASN A 51 4.785 -2.148 7.298 1.00 0.83 H new ATOM 0 HB3 ASN A 51 5.639 -2.535 8.778 1.00 0.83 H new ATOM 0 HD21 ASN A 51 8.511 -0.342 7.403 1.00 0.82 H new ATOM 0 HD22 ASN A 51 8.367 -2.100 7.505 1.00 0.82 H new ATOM 837 N ARG A 52 4.415 -4.762 6.111 1.00 0.53 N ATOM 838 CA ARG A 52 3.426 -5.806 5.911 1.00 0.52 C ATOM 839 C ARG A 52 4.138 -7.146 5.773 1.00 0.73 C ATOM 840 O ARG A 52 3.875 -8.056 6.556 1.00 1.54 O ATOM 841 CB ARG A 52 2.581 -5.491 4.679 1.00 0.50 C ATOM 842 CG ARG A 52 1.412 -6.474 4.548 1.00 0.65 C ATOM 843 CD ARG A 52 0.472 -6.420 5.762 1.00 0.66 C ATOM 844 NE ARG A 52 0.690 -7.531 6.701 1.00 1.62 N ATOM 845 CZ ARG A 52 -0.035 -8.661 6.811 1.00 1.98 C ATOM 846 NH1 ARG A 52 -1.038 -8.949 5.981 1.00 2.33 N ATOM 847 NH2 ARG A 52 0.240 -9.536 7.774 1.00 3.48 N ATOM 0 H ARG A 52 4.372 -4.035 5.397 1.00 0.53 H new ATOM 0 HA ARG A 52 2.755 -5.858 6.768 1.00 0.52 H new ATOM 0 HB2 ARG A 52 2.198 -4.473 4.747 1.00 0.50 H new ATOM 0 HB3 ARG A 52 3.203 -5.539 3.785 1.00 0.50 H new ATOM 0 HG2 ARG A 52 0.848 -6.247 3.643 1.00 0.65 H new ATOM 0 HG3 ARG A 52 1.801 -7.486 4.436 1.00 0.65 H new ATOM 0 HD2 ARG A 52 0.615 -5.475 6.285 1.00 0.66 H new ATOM 0 HD3 ARG A 52 -0.562 -6.440 5.417 1.00 0.66 H new ATOM 0 HE ARG A 52 1.479 -7.435 7.341 1.00 1.62 H new ATOM 0 HH11 ARG A 52 -1.280 -8.303 5.230 1.00 2.33 H new ATOM 0 HH12 ARG A 52 -1.563 -9.815 6.097 1.00 2.33 H new ATOM 0 HH21 ARG A 52 1.000 -9.351 8.429 1.00 3.48 H new ATOM 0 HH22 ARG A 52 -0.309 -10.392 7.858 1.00 3.48 H new ATOM 861 N ARG A 53 5.046 -7.256 4.797 1.00 0.59 N ATOM 862 CA ARG A 53 5.772 -8.491 4.529 1.00 0.75 C ATOM 863 C ARG A 53 6.514 -8.968 5.777 1.00 0.89 C ATOM 864 O ARG A 53 6.479 -10.152 6.116 1.00 1.08 O ATOM 865 CB ARG A 53 6.730 -8.321 3.345 1.00 0.93 C ATOM 866 CG ARG A 53 5.957 -8.136 2.050 1.00 1.04 C ATOM 867 CD ARG A 53 6.870 -7.374 1.089 1.00 1.58 C ATOM 868 NE ARG A 53 6.301 -7.339 -0.249 1.00 1.54 N ATOM 869 CZ ARG A 53 5.178 -6.703 -0.627 1.00 2.14 C ATOM 870 NH1 ARG A 53 4.532 -5.906 0.231 1.00 2.69 N ATOM 871 NH2 ARG A 53 4.704 -6.884 -1.862 1.00 3.20 N ATOM 0 H ARG A 53 5.294 -6.488 4.173 1.00 0.59 H new ATOM 0 HA ARG A 53 5.046 -9.257 4.259 1.00 0.75 H new ATOM 0 HB2 ARG A 53 7.376 -7.460 3.515 1.00 0.93 H new ATOM 0 HB3 ARG A 53 7.377 -9.195 3.266 1.00 0.93 H new ATOM 0 HG2 ARG A 53 5.673 -9.101 1.629 1.00 1.04 H new ATOM 0 HG3 ARG A 53 5.035 -7.582 2.227 1.00 1.04 H new ATOM 0 HD2 ARG A 53 7.019 -6.357 1.452 1.00 1.58 H new ATOM 0 HD3 ARG A 53 7.851 -7.849 1.059 1.00 1.58 H new ATOM 0 HE ARG A 53 6.805 -7.849 -0.975 1.00 1.54 H new ATOM 0 HH11 ARG A 53 4.891 -5.778 1.177 1.00 2.69 H new ATOM 0 HH12 ARG A 53 3.681 -5.426 -0.061 1.00 2.69 H new ATOM 0 HH21 ARG A 53 5.193 -7.501 -2.511 1.00 3.20 H new ATOM 0 HH22 ARG A 53 3.853 -6.405 -2.157 1.00 3.20 H new ATOM 885 N MET A 54 7.179 -8.045 6.474 1.00 0.87 N ATOM 886 CA MET A 54 7.957 -8.405 7.641 1.00 0.99 C ATOM 887 C MET A 54 7.084 -9.016 8.733 1.00 1.05 C ATOM 888 O MET A 54 7.530 -9.962 9.386 1.00 1.44 O ATOM 889 CB MET A 54 8.749 -7.199 8.170 1.00 1.00 C ATOM 890 CG MET A 54 10.260 -7.467 8.215 1.00 1.23 C ATOM 891 SD MET A 54 10.803 -8.998 9.025 1.00 2.32 S ATOM 892 CE MET A 54 12.589 -8.738 9.088 1.00 3.39 C ATOM 0 H MET A 54 7.189 -7.051 6.246 1.00 0.87 H new ATOM 0 HA MET A 54 8.673 -9.168 7.335 1.00 0.99 H new ATOM 0 HB2 MET A 54 8.555 -6.334 7.536 1.00 1.00 H new ATOM 0 HB3 MET A 54 8.397 -6.947 9.170 1.00 1.00 H new ATOM 0 HG2 MET A 54 10.633 -7.475 7.191 1.00 1.23 H new ATOM 0 HG3 MET A 54 10.738 -6.628 8.721 1.00 1.23 H new ATOM 0 HE1 MET A 54 13.065 -9.597 9.561 1.00 3.39 H new ATOM 0 HE2 MET A 54 12.975 -8.620 8.076 1.00 3.39 H new ATOM 0 HE3 MET A 54 12.806 -7.839 9.666 1.00 3.39 H new ATOM 902 N LYS A 55 5.882 -8.477 8.991 1.00 0.83 N ATOM 903 CA LYS A 55 5.061 -9.099 10.028 1.00 0.94 C ATOM 904 C LYS A 55 4.304 -10.317 9.487 1.00 1.02 C ATOM 905 O LYS A 55 4.197 -11.329 10.176 1.00 1.37 O ATOM 906 CB LYS A 55 4.134 -8.056 10.672 1.00 0.99 C ATOM 907 CG LYS A 55 3.023 -7.541 9.745 1.00 2.05 C ATOM 908 CD LYS A 55 2.144 -6.477 10.422 1.00 2.68 C ATOM 909 CE LYS A 55 2.572 -5.033 10.119 1.00 4.35 C ATOM 910 NZ LYS A 55 4.010 -4.798 10.348 1.00 5.54 N ATOM 0 H LYS A 55 5.480 -7.663 8.526 1.00 0.83 H new ATOM 0 HA LYS A 55 5.715 -9.477 10.814 1.00 0.94 H new ATOM 0 HB2 LYS A 55 3.677 -8.492 11.560 1.00 0.99 H new ATOM 0 HB3 LYS A 55 4.735 -7.210 11.005 1.00 0.99 H new ATOM 0 HG2 LYS A 55 3.470 -7.120 8.845 1.00 2.05 H new ATOM 0 HG3 LYS A 55 2.399 -8.377 9.430 1.00 2.05 H new ATOM 0 HD2 LYS A 55 1.111 -6.615 10.101 1.00 2.68 H new ATOM 0 HD3 LYS A 55 2.166 -6.634 11.500 1.00 2.68 H new ATOM 0 HE2 LYS A 55 2.332 -4.799 9.082 1.00 4.35 H new ATOM 0 HE3 LYS A 55 1.994 -4.350 10.742 1.00 4.35 H new ATOM 0 HZ1 LYS A 55 4.203 -3.776 10.326 1.00 5.54 H new ATOM 0 HZ2 LYS A 55 4.281 -5.182 11.276 1.00 5.54 H new ATOM 0 HZ3 LYS A 55 4.562 -5.270 9.603 1.00 5.54 H new ATOM 924 N TRP A 56 4.028 -10.316 8.183 1.00 0.88 N ATOM 925 CA TRP A 56 3.367 -11.401 7.470 1.00 0.97 C ATOM 926 C TRP A 56 4.166 -12.687 7.648 1.00 1.15 C ATOM 927 O TRP A 56 3.637 -13.733 8.031 1.00 1.30 O ATOM 928 CB TRP A 56 3.226 -11.013 5.995 1.00 0.87 C ATOM 929 CG TRP A 56 2.938 -12.122 5.040 1.00 1.01 C ATOM 930 CD1 TRP A 56 1.783 -12.808 4.987 1.00 1.22 C ATOM 931 CD2 TRP A 56 3.803 -12.717 4.028 1.00 1.11 C ATOM 932 NE1 TRP A 56 1.859 -13.782 4.015 1.00 1.40 N ATOM 933 CE2 TRP A 56 3.090 -13.777 3.393 1.00 1.35 C ATOM 934 CE3 TRP A 56 5.118 -12.468 3.582 1.00 1.15 C ATOM 935 CZ2 TRP A 56 3.652 -14.547 2.365 1.00 1.57 C ATOM 936 CZ3 TRP A 56 5.688 -13.228 2.544 1.00 1.39 C ATOM 937 CH2 TRP A 56 4.959 -14.266 1.936 1.00 1.56 C ATOM 0 H TRP A 56 4.268 -9.532 7.576 1.00 0.88 H new ATOM 0 HA TRP A 56 2.369 -11.575 7.872 1.00 0.97 H new ATOM 0 HB2 TRP A 56 2.428 -10.275 5.911 1.00 0.87 H new ATOM 0 HB3 TRP A 56 4.148 -10.523 5.681 1.00 0.87 H new ATOM 0 HD1 TRP A 56 0.923 -12.623 5.613 1.00 1.22 H new ATOM 0 HE1 TRP A 56 1.101 -14.425 3.785 1.00 1.40 H new ATOM 0 HE3 TRP A 56 5.696 -11.682 4.044 1.00 1.15 H new ATOM 0 HZ2 TRP A 56 3.087 -15.346 1.909 1.00 1.57 H new ATOM 0 HZ3 TRP A 56 6.693 -13.013 2.212 1.00 1.39 H new ATOM 0 HH2 TRP A 56 5.404 -14.846 1.141 1.00 1.56 H new ATOM 948 N LYS A 57 5.462 -12.579 7.377 1.00 1.23 N ATOM 949 CA LYS A 57 6.373 -13.708 7.393 1.00 1.53 C ATOM 950 C LYS A 57 6.724 -14.194 8.805 1.00 1.64 C ATOM 951 O LYS A 57 7.366 -15.236 8.918 1.00 1.93 O ATOM 952 CB LYS A 57 7.611 -13.352 6.549 1.00 1.68 C ATOM 953 CG LYS A 57 8.595 -14.522 6.395 1.00 2.22 C ATOM 954 CD LYS A 57 9.591 -14.249 5.259 1.00 3.05 C ATOM 955 CE LYS A 57 10.748 -15.261 5.243 1.00 4.07 C ATOM 956 NZ LYS A 57 10.286 -16.661 5.126 1.00 3.86 N ATOM 0 H LYS A 57 5.910 -11.694 7.138 1.00 1.23 H new ATOM 0 HA LYS A 57 5.872 -14.566 6.945 1.00 1.53 H new ATOM 0 HB2 LYS A 57 7.287 -13.025 5.561 1.00 1.68 H new ATOM 0 HB3 LYS A 57 8.127 -12.510 7.010 1.00 1.68 H new ATOM 0 HG2 LYS A 57 9.135 -14.675 7.330 1.00 2.22 H new ATOM 0 HG3 LYS A 57 8.046 -15.441 6.190 1.00 2.22 H new ATOM 0 HD2 LYS A 57 9.068 -14.284 4.304 1.00 3.05 H new ATOM 0 HD3 LYS A 57 9.994 -13.242 5.366 1.00 3.05 H new ATOM 0 HE2 LYS A 57 11.413 -15.032 4.410 1.00 4.07 H new ATOM 0 HE3 LYS A 57 11.332 -15.152 6.157 1.00 4.07 H new ATOM 0 HZ1 LYS A 57 11.109 -17.293 5.052 1.00 3.86 H new ATOM 0 HZ2 LYS A 57 9.729 -16.914 5.967 1.00 3.86 H new ATOM 0 HZ3 LYS A 57 9.695 -16.762 4.276 1.00 3.86 H new ATOM 970 N LYS A 58 6.293 -13.505 9.872 1.00 1.51 N ATOM 971 CA LYS A 58 6.462 -14.027 11.237 1.00 1.68 C ATOM 972 C LYS A 58 5.157 -14.205 12.016 1.00 1.91 C ATOM 973 O LYS A 58 5.175 -14.799 13.099 1.00 2.10 O ATOM 974 CB LYS A 58 7.501 -13.203 12.014 1.00 1.79 C ATOM 975 CG LYS A 58 7.011 -11.794 12.368 1.00 1.95 C ATOM 976 CD LYS A 58 8.005 -11.046 13.273 1.00 2.65 C ATOM 977 CE LYS A 58 9.325 -10.661 12.587 1.00 3.23 C ATOM 978 NZ LYS A 58 9.123 -9.679 11.503 1.00 4.48 N ATOM 0 H LYS A 58 5.831 -12.597 9.819 1.00 1.51 H new ATOM 0 HA LYS A 58 6.844 -15.042 11.123 1.00 1.68 H new ATOM 0 HB2 LYS A 58 7.762 -13.731 12.931 1.00 1.79 H new ATOM 0 HB3 LYS A 58 8.412 -13.126 11.420 1.00 1.79 H new ATOM 0 HG2 LYS A 58 6.856 -11.224 11.452 1.00 1.95 H new ATOM 0 HG3 LYS A 58 6.045 -11.862 12.869 1.00 1.95 H new ATOM 0 HD2 LYS A 58 7.527 -10.141 13.647 1.00 2.65 H new ATOM 0 HD3 LYS A 58 8.228 -11.669 14.139 1.00 2.65 H new ATOM 0 HE2 LYS A 58 10.010 -10.247 13.327 1.00 3.23 H new ATOM 0 HE3 LYS A 58 9.796 -11.556 12.181 1.00 3.23 H new ATOM 0 HZ1 LYS A 58 9.982 -9.625 10.919 1.00 4.48 H new ATOM 0 HZ2 LYS A 58 8.320 -9.975 10.912 1.00 4.48 H new ATOM 0 HZ3 LYS A 58 8.925 -8.744 11.914 1.00 4.48 H new ATOM 992 N GLU A 59 4.029 -13.760 11.462 1.00 1.97 N ATOM 993 CA GLU A 59 2.710 -14.027 12.020 1.00 2.17 C ATOM 994 C GLU A 59 2.202 -15.370 11.460 1.00 2.32 C ATOM 995 O GLU A 59 1.736 -16.216 12.221 1.00 2.82 O ATOM 996 CB GLU A 59 1.764 -12.826 11.784 1.00 2.02 C ATOM 997 CG GLU A 59 1.271 -12.835 10.342 1.00 2.45 C ATOM 998 CD GLU A 59 0.618 -11.586 9.787 1.00 3.29 C ATOM 999 OE1 GLU A 59 1.089 -10.456 10.061 1.00 3.86 O ATOM 1000 OE2 GLU A 59 -0.233 -11.789 8.886 1.00 4.28 O ATOM 0 H GLU A 59 4.008 -13.201 10.609 1.00 1.97 H new ATOM 0 HA GLU A 59 2.753 -14.133 13.104 1.00 2.17 H new ATOM 0 HB2 GLU A 59 0.917 -12.878 12.468 1.00 2.02 H new ATOM 0 HB3 GLU A 59 2.286 -11.893 11.994 1.00 2.02 H new ATOM 0 HG2 GLU A 59 2.122 -13.074 9.704 1.00 2.45 H new ATOM 0 HG3 GLU A 59 0.557 -13.653 10.242 1.00 2.45 H new ATOM 1007 N ASN A 60 2.332 -15.606 10.144 1.00 2.06 N ATOM 1008 CA ASN A 60 1.714 -16.727 9.455 1.00 2.24 C ATOM 1009 C ASN A 60 2.587 -17.972 9.586 1.00 2.61 C ATOM 1010 O ASN A 60 3.094 -18.502 8.599 1.00 2.74 O ATOM 1011 CB ASN A 60 1.482 -16.342 7.990 1.00 2.02 C ATOM 1012 CG ASN A 60 0.403 -15.273 7.853 1.00 2.45 C ATOM 1013 OD1 ASN A 60 -0.785 -15.569 7.897 1.00 3.33 O ATOM 1014 ND2 ASN A 60 0.822 -14.022 7.720 1.00 2.29 N ATOM 0 H ASN A 60 2.881 -15.007 9.528 1.00 2.06 H new ATOM 0 HA ASN A 60 0.750 -16.962 9.907 1.00 2.24 H new ATOM 0 HB2 ASN A 60 2.413 -15.977 7.558 1.00 2.02 H new ATOM 0 HB3 ASN A 60 1.192 -17.226 7.423 1.00 2.02 H new ATOM 0 HD21 ASN A 60 0.145 -13.262 7.650 1.00 2.29 H new ATOM 0 HD22 ASN A 60 1.821 -13.820 7.688 1.00 2.29 H new ATOM 1021 N LYS A 61 2.763 -18.431 10.822 1.00 3.12 N ATOM 1022 CA LYS A 61 3.538 -19.602 11.175 1.00 3.74 C ATOM 1023 C LYS A 61 2.634 -20.678 11.770 1.00 4.28 C ATOM 1024 O LYS A 61 1.996 -20.470 12.797 1.00 4.88 O ATOM 1025 CB LYS A 61 4.691 -19.214 12.104 1.00 4.44 C ATOM 1026 CG LYS A 61 4.545 -17.965 12.983 1.00 4.79 C ATOM 1027 CD LYS A 61 3.576 -18.163 14.158 1.00 5.35 C ATOM 1028 CE LYS A 61 3.453 -16.929 15.063 1.00 6.41 C ATOM 1029 NZ LYS A 61 4.754 -16.283 15.323 1.00 7.19 N ATOM 0 H LYS A 61 2.349 -17.973 11.634 1.00 3.12 H new ATOM 0 HA LYS A 61 3.985 -20.028 10.277 1.00 3.74 H new ATOM 0 HB2 LYS A 61 4.883 -20.061 12.763 1.00 4.44 H new ATOM 0 HB3 LYS A 61 5.581 -19.082 11.488 1.00 4.44 H new ATOM 0 HG2 LYS A 61 5.524 -17.685 13.371 1.00 4.79 H new ATOM 0 HG3 LYS A 61 4.196 -17.135 12.369 1.00 4.79 H new ATOM 0 HD2 LYS A 61 2.591 -18.417 13.767 1.00 5.35 H new ATOM 0 HD3 LYS A 61 3.910 -19.011 14.756 1.00 5.35 H new ATOM 0 HE2 LYS A 61 2.780 -16.208 14.598 1.00 6.41 H new ATOM 0 HE3 LYS A 61 3.001 -17.222 16.011 1.00 6.41 H new ATOM 0 HZ1 LYS A 61 4.719 -15.787 16.237 1.00 7.19 H new ATOM 0 HZ2 LYS A 61 5.501 -17.006 15.350 1.00 7.19 H new ATOM 0 HZ3 LYS A 61 4.960 -15.600 14.566 1.00 7.19 H new ATOM 1043 N THR A 62 2.607 -21.838 11.114 1.00 4.51 N ATOM 1044 CA THR A 62 2.188 -23.079 11.739 1.00 5.39 C ATOM 1045 C THR A 62 3.398 -23.503 12.580 1.00 6.35 C ATOM 1046 O THR A 62 3.633 -22.951 13.652 1.00 7.30 O ATOM 1047 CB THR A 62 1.709 -24.088 10.665 1.00 5.96 C ATOM 1048 OG1 THR A 62 1.885 -25.422 11.093 1.00 7.13 O ATOM 1049 CG2 THR A 62 2.389 -23.943 9.296 1.00 6.45 C ATOM 0 H THR A 62 2.876 -21.937 10.135 1.00 4.51 H new ATOM 0 HA THR A 62 1.318 -22.997 12.390 1.00 5.39 H new ATOM 0 HB THR A 62 0.653 -23.848 10.539 1.00 5.96 H new ATOM 0 HG1 THR A 62 1.572 -26.034 10.394 1.00 7.13 H new ATOM 0 HG21 THR A 62 1.990 -24.691 8.610 1.00 6.45 H new ATOM 0 HG22 THR A 62 2.197 -22.947 8.898 1.00 6.45 H new ATOM 0 HG23 THR A 62 3.464 -24.089 9.406 1.00 6.45 H new ATOM 1057 N LYS A 63 4.244 -24.382 12.043 1.00 6.96 N ATOM 1058 CA LYS A 63 5.413 -24.904 12.710 1.00 8.50 C ATOM 1059 C LYS A 63 6.505 -23.877 13.017 1.00 8.84 C ATOM 1060 O LYS A 63 7.484 -24.199 13.684 1.00 10.25 O ATOM 1061 CB LYS A 63 5.932 -26.050 11.858 1.00 9.58 C ATOM 1062 CG LYS A 63 6.652 -25.661 10.560 1.00 9.89 C ATOM 1063 CD LYS A 63 7.155 -26.948 9.892 1.00 11.23 C ATOM 1064 CE LYS A 63 7.962 -26.646 8.622 1.00 11.88 C ATOM 1065 NZ LYS A 63 8.496 -27.879 8.004 1.00 12.72 N ATOM 0 H LYS A 63 4.121 -24.755 11.102 1.00 6.96 H new ATOM 0 HA LYS A 63 5.116 -25.241 13.703 1.00 8.50 H new ATOM 0 HB2 LYS A 63 6.616 -26.644 12.464 1.00 9.58 H new ATOM 0 HB3 LYS A 63 5.091 -26.695 11.603 1.00 9.58 H new ATOM 0 HG2 LYS A 63 5.975 -25.126 9.894 1.00 9.89 H new ATOM 0 HG3 LYS A 63 7.485 -24.991 10.773 1.00 9.89 H new ATOM 0 HD2 LYS A 63 7.775 -27.505 10.594 1.00 11.23 H new ATOM 0 HD3 LYS A 63 6.306 -27.585 9.642 1.00 11.23 H new ATOM 0 HE2 LYS A 63 7.329 -26.125 7.904 1.00 11.88 H new ATOM 0 HE3 LYS A 63 8.786 -25.975 8.866 1.00 11.88 H new ATOM 0 HZ1 LYS A 63 9.035 -27.634 7.149 1.00 12.72 H new ATOM 0 HZ2 LYS A 63 9.121 -28.364 8.680 1.00 12.72 H new ATOM 0 HZ3 LYS A 63 7.708 -28.508 7.748 1.00 12.72 H new ATOM 1079 N GLY A 64 6.367 -22.634 12.551 1.00 7.78 N ATOM 1080 CA GLY A 64 7.196 -21.536 13.053 1.00 8.41 C ATOM 1081 C GLY A 64 6.750 -21.130 14.466 1.00 9.46 C ATOM 1082 O GLY A 64 6.443 -19.964 14.721 1.00 9.78 O ATOM 0 H GLY A 64 5.695 -22.364 11.833 1.00 7.78 H new ATOM 0 HA2 GLY A 64 8.243 -21.840 13.069 1.00 8.41 H new ATOM 0 HA3 GLY A 64 7.123 -20.680 12.382 1.00 8.41 H new ATOM 1086 N GLU A 65 6.678 -22.110 15.366 1.00 10.43 N ATOM 1087 CA GLU A 65 6.076 -22.007 16.683 1.00 11.82 C ATOM 1088 C GLU A 65 7.111 -21.497 17.698 1.00 13.07 C ATOM 1089 O GLU A 65 8.313 -21.635 17.465 1.00 13.29 O ATOM 1090 CB GLU A 65 5.450 -23.370 17.027 1.00 12.52 C ATOM 1091 CG GLU A 65 6.439 -24.544 17.095 1.00 13.27 C ATOM 1092 CD GLU A 65 5.689 -25.867 17.011 1.00 13.61 C ATOM 1093 OE1 GLU A 65 5.067 -26.231 18.031 1.00 14.74 O ATOM 1094 OE2 GLU A 65 5.720 -26.468 15.915 1.00 13.05 O ATOM 0 H GLU A 65 7.057 -23.039 15.182 1.00 10.43 H new ATOM 0 HA GLU A 65 5.273 -21.271 16.710 1.00 11.82 H new ATOM 0 HB2 GLU A 65 4.942 -23.287 17.988 1.00 12.52 H new ATOM 0 HB3 GLU A 65 4.688 -23.600 16.283 1.00 12.52 H new ATOM 0 HG2 GLU A 65 7.157 -24.472 16.278 1.00 13.27 H new ATOM 0 HG3 GLU A 65 7.007 -24.498 18.024 1.00 13.27 H new ATOM 1101 N PRO A 66 6.678 -20.835 18.784 1.00 14.15 N ATOM 1102 CA PRO A 66 7.590 -20.239 19.748 1.00 15.56 C ATOM 1103 C PRO A 66 8.282 -21.314 20.589 1.00 16.86 C ATOM 1104 O PRO A 66 7.768 -22.420 20.748 1.00 17.28 O ATOM 1105 CB PRO A 66 6.721 -19.320 20.611 1.00 16.52 C ATOM 1106 CG PRO A 66 5.355 -20.005 20.572 1.00 16.22 C ATOM 1107 CD PRO A 66 5.297 -20.564 19.150 1.00 14.39 C ATOM 0 HA PRO A 66 8.393 -19.685 19.261 1.00 15.56 H new ATOM 0 HB2 PRO A 66 7.104 -19.240 21.628 1.00 16.52 H new ATOM 0 HB3 PRO A 66 6.677 -18.309 20.207 1.00 16.52 H new ATOM 0 HG2 PRO A 66 5.277 -20.794 21.320 1.00 16.22 H new ATOM 0 HG3 PRO A 66 4.544 -19.302 20.764 1.00 16.22 H new ATOM 0 HD2 PRO A 66 4.695 -21.471 19.109 1.00 14.39 H new ATOM 0 HD3 PRO A 66 4.842 -19.848 18.465 1.00 14.39 H new ATOM 1115 N GLY A 67 9.438 -20.963 21.150 1.00 17.75 N ATOM 1116 CA GLY A 67 10.249 -21.786 22.020 1.00 19.33 C ATOM 1117 C GLY A 67 11.398 -20.897 22.489 1.00 20.18 C ATOM 1118 O GLY A 67 11.450 -19.750 22.034 1.00 19.79 O ATOM 0 H GLY A 67 9.849 -20.043 20.995 1.00 17.75 H new ATOM 0 HA2 GLY A 67 9.667 -22.150 22.867 1.00 19.33 H new ATOM 0 HA3 GLY A 67 10.624 -22.662 21.491 1.00 19.33 H new TER 1122 GLY A 67