USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 609 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 10 THR OG1 : rot 180:sc= 0.154 USER MOD Set 1.2: A 11 THR OG1 : rot 120:sc= 1.92 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0617 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.8!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.8!) USER MOD Single : A 16 GLN : amide:sc= -2.78 X(o=-2.8,f=-3.1!) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.643 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -165:sc= 1.7 USER MOD Single : A 28 GLN : amide:sc= -0.884 X(o=-0.88,f=-0.82) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00588 K(o=-0.0059,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.177) USER MOD Single : A 55 ASN : amide:sc= 0.0732 K(o=0.073,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.82) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.997 -1.156 -0.848 1.00 0.00 N ATOM 2 CA GLY A 1 2.500 -0.825 -2.168 1.00 0.00 C ATOM 3 C GLY A 1 2.838 0.646 -2.308 1.00 0.00 C ATOM 4 O GLY A 1 2.494 1.467 -1.458 1.00 0.00 O ATOM 0 H1 GLY A 1 2.746 -1.623 -0.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.701 -0.286 -0.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.183 -1.797 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.390 -1.420 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.755 -1.096 -2.916 1.00 0.00 H new ATOM 8 N PRO A 2 3.530 0.996 -3.402 1.00 0.00 N ATOM 9 CA PRO A 2 3.931 2.380 -3.675 1.00 0.00 C ATOM 10 C PRO A 2 2.743 3.270 -4.022 1.00 0.00 C ATOM 11 O PRO A 2 2.248 3.249 -5.149 1.00 0.00 O ATOM 12 CB PRO A 2 4.868 2.246 -4.878 1.00 0.00 C ATOM 13 CG PRO A 2 4.443 0.987 -5.552 1.00 0.00 C ATOM 14 CD PRO A 2 3.975 0.070 -4.456 1.00 0.00 C ATOM 0 HA PRO A 2 4.393 2.850 -2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.779 3.102 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.910 2.194 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.644 1.178 -6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.270 0.543 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.164 -0.576 -4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.777 -0.581 -4.107 1.00 0.00 H new ATOM 22 N ARG A 3 2.290 4.051 -3.047 1.00 0.00 N ATOM 23 CA ARG A 3 1.158 4.948 -3.250 1.00 0.00 C ATOM 24 C ARG A 3 0.873 5.757 -1.988 1.00 0.00 C ATOM 25 O ARG A 3 0.685 5.197 -0.908 1.00 0.00 O ATOM 26 CB ARG A 3 -0.085 4.152 -3.651 1.00 0.00 C ATOM 27 CG ARG A 3 -0.932 4.839 -4.709 1.00 0.00 C ATOM 28 CD ARG A 3 -2.319 4.220 -4.801 1.00 0.00 C ATOM 29 NE ARG A 3 -2.298 2.929 -5.484 1.00 0.00 N ATOM 30 CZ ARG A 3 -3.392 2.288 -5.876 1.00 0.00 C ATOM 31 NH1 ARG A 3 -4.589 2.815 -5.656 1.00 0.00 N ATOM 32 NH2 ARG A 3 -3.292 1.116 -6.492 1.00 0.00 N ATOM 0 H ARG A 3 2.689 4.081 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 3 1.413 5.639 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.224 3.175 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.696 3.978 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.021 5.900 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.436 4.768 -5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.726 4.093 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.985 4.900 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.393 2.497 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.671 3.716 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.428 2.320 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.374 0.707 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.134 0.624 -6.793 1.00 0.00 H new ATOM 46 N LYS A 4 0.842 7.077 -2.132 1.00 0.00 N ATOM 47 CA LYS A 4 0.579 7.965 -1.006 1.00 0.00 C ATOM 48 C LYS A 4 -0.919 8.186 -0.826 1.00 0.00 C ATOM 49 O LYS A 4 -1.412 8.275 0.298 1.00 0.00 O ATOM 50 CB LYS A 4 1.283 9.308 -1.213 1.00 0.00 C ATOM 51 CG LYS A 4 0.958 10.336 -0.143 1.00 0.00 C ATOM 52 CD LYS A 4 -0.166 11.261 -0.581 1.00 0.00 C ATOM 53 CE LYS A 4 -0.041 12.633 0.063 1.00 0.00 C ATOM 54 NZ LYS A 4 -1.290 13.430 -0.082 1.00 0.00 N ATOM 0 H LYS A 4 0.996 7.556 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 4 0.969 7.493 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.361 9.145 -1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.003 9.709 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.673 9.827 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.848 10.924 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.152 11.364 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.127 10.819 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.195 12.517 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.789 13.173 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.164 14.358 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.502 13.562 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.078 12.927 0.374 1.00 0.00 H new ATOM 68 N ASN A 5 -1.638 8.273 -1.940 1.00 0.00 N ATOM 69 CA ASN A 5 -3.081 8.483 -1.905 1.00 0.00 C ATOM 70 C ASN A 5 -3.774 7.684 -3.004 1.00 0.00 C ATOM 71 O ASN A 5 -4.352 6.627 -2.746 1.00 0.00 O ATOM 72 CB ASN A 5 -3.405 9.970 -2.059 1.00 0.00 C ATOM 73 CG ASN A 5 -4.894 10.228 -2.183 1.00 0.00 C ATOM 74 OD1 ASN A 5 -5.709 9.518 -1.594 1.00 0.00 O ATOM 75 ND2 ASN A 5 -5.256 11.248 -2.952 1.00 0.00 N ATOM 0 H ASN A 5 -1.245 8.201 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.450 8.136 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.015 10.515 -1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.897 10.360 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.244 11.470 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.546 11.810 -3.421 1.00 0.00 H new ATOM 82 N ARG A 6 -3.712 8.194 -4.229 1.00 0.00 N ATOM 83 CA ARG A 6 -4.334 7.529 -5.367 1.00 0.00 C ATOM 84 C ARG A 6 -3.391 7.508 -6.567 1.00 0.00 C ATOM 85 O ARG A 6 -2.997 6.443 -7.041 1.00 0.00 O ATOM 86 CB ARG A 6 -5.640 8.230 -5.743 1.00 0.00 C ATOM 87 CG ARG A 6 -6.566 8.467 -4.562 1.00 0.00 C ATOM 88 CD ARG A 6 -7.380 9.739 -4.739 1.00 0.00 C ATOM 89 NE ARG A 6 -8.299 9.961 -3.625 1.00 0.00 N ATOM 90 CZ ARG A 6 -9.135 10.991 -3.556 1.00 0.00 C ATOM 91 NH1 ARG A 6 -9.168 11.889 -4.530 1.00 0.00 N ATOM 92 NH2 ARG A 6 -9.941 11.124 -2.510 1.00 0.00 N ATOM 0 H ARG A 6 -3.237 9.067 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.552 6.500 -5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.407 9.187 -6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.162 7.631 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.238 7.616 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.979 8.534 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.706 10.591 -4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.945 9.681 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.299 9.288 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.550 11.790 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.811 12.679 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.919 10.435 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.583 11.915 -2.458 1.00 0.00 H new ATOM 106 N ARG A 7 -3.034 8.693 -7.052 1.00 0.00 N ATOM 107 CA ARG A 7 -2.139 8.811 -8.197 1.00 0.00 C ATOM 108 C ARG A 7 -0.858 8.014 -7.971 1.00 0.00 C ATOM 109 O ARG A 7 -0.629 7.486 -6.883 1.00 0.00 O ATOM 110 CB ARG A 7 -1.800 10.280 -8.457 1.00 0.00 C ATOM 111 CG ARG A 7 -2.811 10.991 -9.342 1.00 0.00 C ATOM 112 CD ARG A 7 -2.556 12.489 -9.386 1.00 0.00 C ATOM 113 NE ARG A 7 -1.567 12.847 -10.399 1.00 0.00 N ATOM 114 CZ ARG A 7 -0.979 14.037 -10.465 1.00 0.00 C ATOM 115 NH1 ARG A 7 -1.280 14.978 -9.581 1.00 0.00 N ATOM 116 NH2 ARG A 7 -0.089 14.286 -11.417 1.00 0.00 N ATOM 0 H ARG A 7 -3.351 9.584 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.650 8.403 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.734 10.803 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.816 10.340 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.763 10.583 -10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.818 10.803 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.491 13.010 -9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.212 12.827 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.314 12.145 -11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.964 14.789 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.827 15.891 -9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.144 13.564 -12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.362 15.200 -11.467 1.00 0.00 H new ATOM 130 N GLU A 8 -0.027 7.933 -9.005 1.00 0.00 N ATOM 131 CA GLU A 8 1.231 7.200 -8.918 1.00 0.00 C ATOM 132 C GLU A 8 2.005 7.290 -10.230 1.00 0.00 C ATOM 133 O GLU A 8 1.423 7.506 -11.293 1.00 0.00 O ATOM 134 CB GLU A 8 0.968 5.733 -8.568 1.00 0.00 C ATOM 135 CG GLU A 8 -0.030 5.056 -9.491 1.00 0.00 C ATOM 136 CD GLU A 8 -1.459 5.180 -8.997 1.00 0.00 C ATOM 137 OE1 GLU A 8 -1.853 4.383 -8.120 1.00 0.00 O ATOM 138 OE2 GLU A 8 -2.181 6.073 -9.487 1.00 0.00 O ATOM 0 H GLU A 8 -0.202 8.365 -9.912 1.00 0.00 H new ATOM 0 HA GLU A 8 1.832 7.653 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.910 5.186 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.601 5.673 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.046 5.494 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.227 4.001 -9.587 1.00 0.00 H new ATOM 145 N ARG A 9 3.321 7.124 -10.146 1.00 0.00 N ATOM 146 CA ARG A 9 4.176 7.189 -11.325 1.00 0.00 C ATOM 147 C ARG A 9 3.717 6.191 -12.385 1.00 0.00 C ATOM 148 O ARG A 9 3.877 6.424 -13.584 1.00 0.00 O ATOM 149 CB ARG A 9 5.630 6.909 -10.943 1.00 0.00 C ATOM 150 CG ARG A 9 6.638 7.452 -11.943 1.00 0.00 C ATOM 151 CD ARG A 9 6.944 6.436 -13.033 1.00 0.00 C ATOM 152 NE ARG A 9 8.299 6.586 -13.556 1.00 0.00 N ATOM 153 CZ ARG A 9 8.820 5.792 -14.485 1.00 0.00 C ATOM 154 NH1 ARG A 9 8.103 4.797 -14.989 1.00 0.00 N ATOM 155 NH2 ARG A 9 10.061 5.992 -14.910 1.00 0.00 N ATOM 0 H ARG A 9 3.818 6.944 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 9 4.103 8.194 -11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.830 7.346 -9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.771 5.832 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.249 8.365 -12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.559 7.720 -11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.818 5.429 -12.635 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.227 6.550 -13.846 1.00 0.00 H new ATOM 0 HE ARG A 9 8.877 7.342 -13.188 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.149 4.640 -14.664 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.505 4.189 -15.702 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.616 6.756 -14.523 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.460 5.382 -15.623 1.00 0.00 H new ATOM 169 N THR A 10 3.145 5.078 -11.935 1.00 0.00 N ATOM 170 CA THR A 10 2.665 4.045 -12.843 1.00 0.00 C ATOM 171 C THR A 10 1.980 2.917 -12.079 1.00 0.00 C ATOM 172 O THR A 10 1.801 2.995 -10.863 1.00 0.00 O ATOM 173 CB THR A 10 3.814 3.457 -13.683 1.00 0.00 C ATOM 174 OG1 THR A 10 3.283 2.720 -14.791 1.00 0.00 O ATOM 175 CG2 THR A 10 4.693 2.548 -12.838 1.00 0.00 C ATOM 0 H THR A 10 3.003 4.870 -10.947 1.00 0.00 H new ATOM 0 HA THR A 10 1.944 4.519 -13.509 1.00 0.00 H new ATOM 0 HB THR A 10 4.423 4.282 -14.053 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.020 2.351 -15.321 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.497 2.145 -13.453 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.119 3.118 -12.012 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.094 1.728 -12.442 1.00 0.00 H new ATOM 183 N THR A 11 1.600 1.866 -12.799 1.00 0.00 N ATOM 184 CA THR A 11 0.934 0.722 -12.190 1.00 0.00 C ATOM 185 C THR A 11 1.663 0.270 -10.929 1.00 0.00 C ATOM 186 O THR A 11 1.054 0.121 -9.869 1.00 0.00 O ATOM 187 CB THR A 11 0.844 -0.463 -13.169 1.00 0.00 C ATOM 188 OG1 THR A 11 2.151 -0.809 -13.641 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.053 -0.123 -14.350 1.00 0.00 C ATOM 0 H THR A 11 1.742 1.784 -13.806 1.00 0.00 H new ATOM 0 HA THR A 11 -0.074 1.045 -11.929 1.00 0.00 H new ATOM 0 HB THR A 11 0.413 -1.312 -12.638 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.354 -1.735 -13.392 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.101 -0.975 -15.028 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.055 0.111 -13.990 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.353 0.739 -14.879 1.00 0.00 H new ATOM 197 N TYR A 12 2.968 0.054 -11.051 1.00 0.00 N ATOM 198 CA TYR A 12 3.779 -0.383 -9.920 1.00 0.00 C ATOM 199 C TYR A 12 5.262 -0.157 -10.195 1.00 0.00 C ATOM 200 O TYR A 12 5.876 -0.877 -10.982 1.00 0.00 O ATOM 201 CB TYR A 12 3.522 -1.861 -9.623 1.00 0.00 C ATOM 202 CG TYR A 12 3.430 -2.721 -10.863 1.00 0.00 C ATOM 203 CD1 TYR A 12 2.234 -2.847 -11.558 1.00 0.00 C ATOM 204 CD2 TYR A 12 4.541 -3.406 -11.341 1.00 0.00 C ATOM 205 CE1 TYR A 12 2.145 -3.633 -12.691 1.00 0.00 C ATOM 206 CE2 TYR A 12 4.462 -4.193 -12.474 1.00 0.00 C ATOM 207 CZ TYR A 12 3.262 -4.303 -13.145 1.00 0.00 C ATOM 208 OH TYR A 12 3.178 -5.085 -14.274 1.00 0.00 O ATOM 0 H TYR A 12 3.487 0.174 -11.921 1.00 0.00 H new ATOM 0 HA TYR A 12 3.495 0.210 -9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.322 -2.240 -8.987 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.595 -1.953 -9.057 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.358 -2.321 -11.207 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.482 -3.322 -10.818 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.206 -3.722 -13.218 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.335 -4.719 -12.832 1.00 0.00 H new ATOM 0 HH TYR A 12 4.052 -5.487 -14.460 1.00 0.00 H new ATOM 218 N SER A 13 5.833 0.848 -9.539 1.00 0.00 N ATOM 219 CA SER A 13 7.244 1.172 -9.713 1.00 0.00 C ATOM 220 C SER A 13 7.894 1.507 -8.374 1.00 0.00 C ATOM 221 O SER A 13 7.215 1.890 -7.421 1.00 0.00 O ATOM 222 CB SER A 13 7.403 2.348 -10.679 1.00 0.00 C ATOM 223 OG SER A 13 7.630 1.895 -12.002 1.00 0.00 O ATOM 0 H SER A 13 5.340 1.452 -8.882 1.00 0.00 H new ATOM 0 HA SER A 13 7.744 0.298 -10.130 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.507 2.968 -10.652 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.235 2.976 -10.359 1.00 0.00 H new ATOM 0 HG SER A 13 7.726 2.666 -12.600 1.00 0.00 H new ATOM 229 N ARG A 14 9.213 1.360 -8.311 1.00 0.00 N ATOM 230 CA ARG A 14 9.956 1.646 -7.090 1.00 0.00 C ATOM 231 C ARG A 14 10.213 3.143 -6.947 1.00 0.00 C ATOM 232 O ARG A 14 10.530 3.627 -5.861 1.00 0.00 O ATOM 233 CB ARG A 14 11.284 0.887 -7.086 1.00 0.00 C ATOM 234 CG ARG A 14 12.143 1.156 -8.312 1.00 0.00 C ATOM 235 CD ARG A 14 12.082 0.000 -9.298 1.00 0.00 C ATOM 236 NE ARG A 14 13.338 -0.164 -10.027 1.00 0.00 N ATOM 237 CZ ARG A 14 13.470 -0.940 -11.097 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.430 -1.619 -11.561 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.646 -1.037 -11.705 1.00 0.00 N ATOM 0 H ARG A 14 9.789 1.044 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 14 9.354 1.316 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.846 1.159 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.082 -0.182 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.806 2.071 -8.800 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.176 1.320 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.850 -0.921 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.271 0.170 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 14 14.158 0.345 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.525 -1.546 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.535 -2.214 -12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.448 -0.516 -11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.748 -1.633 -12.527 1.00 0.00 H new ATOM 253 N GLN A 15 10.075 3.870 -8.051 1.00 0.00 N ATOM 254 CA GLN A 15 10.294 5.311 -8.049 1.00 0.00 C ATOM 255 C GLN A 15 9.547 5.973 -6.895 1.00 0.00 C ATOM 256 O GLN A 15 10.131 6.728 -6.118 1.00 0.00 O ATOM 257 CB GLN A 15 9.844 5.919 -9.378 1.00 0.00 C ATOM 258 CG GLN A 15 10.665 5.453 -10.570 1.00 0.00 C ATOM 259 CD GLN A 15 11.870 6.335 -10.829 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.600 6.696 -9.905 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.086 6.687 -12.091 1.00 0.00 N ATOM 0 H GLN A 15 9.813 3.484 -8.958 1.00 0.00 H new ATOM 0 HA GLN A 15 11.361 5.491 -7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.797 5.667 -9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.903 7.005 -9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.999 4.430 -10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.033 5.438 -11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.456 6.365 -12.825 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.882 7.279 -12.326 1.00 0.00 H new ATOM 270 N GLN A 16 8.254 5.685 -6.791 1.00 0.00 N ATOM 271 CA GLN A 16 7.428 6.253 -5.732 1.00 0.00 C ATOM 272 C GLN A 16 8.029 5.966 -4.360 1.00 0.00 C ATOM 273 O GLN A 16 7.894 6.765 -3.432 1.00 0.00 O ATOM 274 CB GLN A 16 6.007 5.692 -5.808 1.00 0.00 C ATOM 275 CG GLN A 16 5.304 5.991 -7.122 1.00 0.00 C ATOM 276 CD GLN A 16 4.090 5.111 -7.348 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.092 5.215 -6.634 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.169 4.238 -8.345 1.00 0.00 N ATOM 0 H GLN A 16 7.756 5.062 -7.427 1.00 0.00 H new ATOM 0 HA GLN A 16 7.392 7.333 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.043 4.612 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.418 6.104 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.997 7.037 -7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.006 5.854 -7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.016 4.186 -8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.383 3.619 -8.545 1.00 0.00 H new ATOM 287 N LEU A 17 8.691 4.821 -4.237 1.00 0.00 N ATOM 288 CA LEU A 17 9.313 4.428 -2.977 1.00 0.00 C ATOM 289 C LEU A 17 10.747 4.940 -2.894 1.00 0.00 C ATOM 290 O LEU A 17 11.371 4.895 -1.835 1.00 0.00 O ATOM 291 CB LEU A 17 9.293 2.906 -2.830 1.00 0.00 C ATOM 292 CG LEU A 17 7.913 2.261 -2.699 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.888 0.907 -3.390 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.526 2.122 -1.234 1.00 0.00 C ATOM 0 H LEU A 17 8.811 4.148 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 17 8.741 4.873 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.794 2.471 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.882 2.638 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 17 7.184 2.908 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.898 0.464 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.119 1.034 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.629 0.251 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.541 1.661 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.258 1.498 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.501 3.108 -0.769 1.00 0.00 H new ATOM 306 N GLU A 18 11.261 5.429 -4.019 1.00 0.00 N ATOM 307 CA GLU A 18 12.622 5.951 -4.072 1.00 0.00 C ATOM 308 C GLU A 18 12.718 7.293 -3.352 1.00 0.00 C ATOM 309 O GLU A 18 13.679 7.554 -2.628 1.00 0.00 O ATOM 310 CB GLU A 18 13.076 6.105 -5.525 1.00 0.00 C ATOM 311 CG GLU A 18 13.381 4.784 -6.211 1.00 0.00 C ATOM 312 CD GLU A 18 14.843 4.395 -6.106 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.667 4.982 -6.838 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.162 3.504 -5.292 1.00 0.00 O ATOM 0 H GLU A 18 10.756 5.474 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 18 13.277 5.240 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.300 6.625 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.966 6.734 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.768 3.999 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.102 4.852 -7.262 1.00 0.00 H new ATOM 321 N ILE A 19 11.716 8.141 -3.558 1.00 0.00 N ATOM 322 CA ILE A 19 11.687 9.456 -2.930 1.00 0.00 C ATOM 323 C ILE A 19 12.084 9.371 -1.460 1.00 0.00 C ATOM 324 O ILE A 19 12.781 10.245 -0.942 1.00 0.00 O ATOM 325 CB ILE A 19 10.292 10.101 -3.037 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.804 10.074 -4.487 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.327 11.528 -2.511 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.603 9.179 -4.704 1.00 0.00 C ATOM 0 H ILE A 19 10.914 7.941 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 19 12.407 10.077 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 19 9.594 9.527 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.552 11.088 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.618 9.738 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.334 11.971 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.637 11.523 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.035 12.114 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.312 9.209 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.857 8.156 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.774 9.527 -4.088 1.00 0.00 H new ATOM 340 N LEU A 20 11.636 8.314 -0.792 1.00 0.00 N ATOM 341 CA LEU A 20 11.946 8.113 0.619 1.00 0.00 C ATOM 342 C LEU A 20 13.180 7.232 0.786 1.00 0.00 C ATOM 343 O LEU A 20 14.195 7.666 1.330 1.00 0.00 O ATOM 344 CB LEU A 20 10.753 7.480 1.338 1.00 0.00 C ATOM 345 CG LEU A 20 9.386 7.694 0.687 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.191 9.158 0.324 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.239 6.813 -0.545 1.00 0.00 C ATOM 0 H LEU A 20 11.057 7.583 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 20 12.155 9.087 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.931 6.408 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.715 7.875 2.353 1.00 0.00 H new ATOM 0 HG LEU A 20 8.615 7.413 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.213 9.291 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.252 9.768 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.968 9.466 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.260 6.978 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.017 7.063 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.334 5.766 -0.257 1.00 0.00 H new ATOM 359 N GLU A 21 13.086 5.993 0.311 1.00 0.00 N ATOM 360 CA GLU A 21 14.196 5.053 0.407 1.00 0.00 C ATOM 361 C GLU A 21 15.514 5.728 0.042 1.00 0.00 C ATOM 362 O GLU A 21 16.579 5.341 0.526 1.00 0.00 O ATOM 363 CB GLU A 21 13.955 3.851 -0.509 1.00 0.00 C ATOM 364 CG GLU A 21 14.367 2.524 0.106 1.00 0.00 C ATOM 365 CD GLU A 21 15.840 2.481 0.466 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.679 2.628 -0.447 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.152 2.298 1.661 1.00 0.00 O ATOM 0 H GLU A 21 12.253 5.618 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 21 14.259 4.708 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.897 3.809 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.505 3.997 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.772 2.342 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.144 1.719 -0.594 1.00 0.00 H new ATOM 374 N THR A 22 15.437 6.741 -0.815 1.00 0.00 N ATOM 375 CA THR A 22 16.623 7.470 -1.247 1.00 0.00 C ATOM 376 C THR A 22 16.878 8.681 -0.357 1.00 0.00 C ATOM 377 O THR A 22 17.983 8.867 0.154 1.00 0.00 O ATOM 378 CB THR A 22 16.493 7.939 -2.708 1.00 0.00 C ATOM 379 OG1 THR A 22 16.135 6.835 -3.547 1.00 0.00 O ATOM 380 CG2 THR A 22 17.796 8.553 -3.197 1.00 0.00 C ATOM 0 H THR A 22 14.565 7.076 -1.224 1.00 0.00 H new ATOM 0 HA THR A 22 17.464 6.781 -1.168 1.00 0.00 H new ATOM 0 HB THR A 22 15.712 8.698 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.171 6.672 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.680 8.877 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.050 9.411 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.593 7.812 -3.136 1.00 0.00 H new ATOM 388 N LEU A 23 15.849 9.502 -0.174 1.00 0.00 N ATOM 389 CA LEU A 23 15.962 10.696 0.656 1.00 0.00 C ATOM 390 C LEU A 23 15.940 10.334 2.138 1.00 0.00 C ATOM 391 O LEU A 23 16.924 10.532 2.851 1.00 0.00 O ATOM 392 CB LEU A 23 14.825 11.670 0.340 1.00 0.00 C ATOM 393 CG LEU A 23 14.989 13.091 0.881 1.00 0.00 C ATOM 394 CD1 LEU A 23 14.045 14.046 0.166 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.745 13.122 2.383 1.00 0.00 C ATOM 0 H LEU A 23 14.928 9.362 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 23 16.915 11.175 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.711 11.726 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.898 11.256 0.737 1.00 0.00 H new ATOM 0 HG LEU A 23 16.013 13.415 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.175 15.052 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.267 14.046 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.015 13.725 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.866 14.141 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.733 12.778 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.461 12.469 2.882 1.00 0.00 H new ATOM 407 N PHE A 24 14.812 9.800 2.594 1.00 0.00 N ATOM 408 CA PHE A 24 14.661 9.408 3.990 1.00 0.00 C ATOM 409 C PHE A 24 15.896 8.657 4.480 1.00 0.00 C ATOM 410 O PHE A 24 16.294 8.783 5.637 1.00 0.00 O ATOM 411 CB PHE A 24 13.417 8.536 4.167 1.00 0.00 C ATOM 412 CG PHE A 24 13.303 7.923 5.533 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.360 8.714 6.669 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.139 6.555 5.681 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.255 8.153 7.928 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.033 5.988 6.937 1.00 0.00 C ATOM 417 CZ PHE A 24 13.092 6.788 8.062 1.00 0.00 C ATOM 0 H PHE A 24 13.989 9.629 2.017 1.00 0.00 H new ATOM 0 HA PHE A 24 14.547 10.314 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.530 9.139 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.431 7.741 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.488 9.782 6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.094 5.925 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.300 8.781 8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.904 4.921 7.039 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.011 6.347 9.044 1.00 0.00 H new ATOM 427 N ASN A 25 16.496 7.873 3.590 1.00 0.00 N ATOM 428 CA ASN A 25 17.685 7.100 3.931 1.00 0.00 C ATOM 429 C ASN A 25 18.939 7.966 3.851 1.00 0.00 C ATOM 430 O ASN A 25 19.814 7.889 4.713 1.00 0.00 O ATOM 431 CB ASN A 25 17.822 5.897 2.996 1.00 0.00 C ATOM 432 CG ASN A 25 18.848 4.895 3.489 1.00 0.00 C ATOM 433 OD1 ASN A 25 18.583 4.119 4.407 1.00 0.00 O ATOM 434 ND2 ASN A 25 20.028 4.908 2.879 1.00 0.00 N ATOM 0 H ASN A 25 16.179 7.756 2.628 1.00 0.00 H new ATOM 0 HA ASN A 25 17.575 6.745 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.855 5.404 2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.105 6.243 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.758 4.257 3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.204 5.569 2.122 1.00 0.00 H new ATOM 441 N GLU A 26 19.017 8.789 2.810 1.00 0.00 N ATOM 442 CA GLU A 26 20.164 9.669 2.618 1.00 0.00 C ATOM 443 C GLU A 26 20.423 10.507 3.867 1.00 0.00 C ATOM 444 O GLU A 26 21.556 10.606 4.339 1.00 0.00 O ATOM 445 CB GLU A 26 19.936 10.586 1.414 1.00 0.00 C ATOM 446 CG GLU A 26 20.977 11.684 1.279 1.00 0.00 C ATOM 447 CD GLU A 26 22.396 11.151 1.322 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.695 10.202 0.567 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.207 11.682 2.108 1.00 0.00 O ATOM 0 H GLU A 26 18.301 8.865 2.088 1.00 0.00 H new ATOM 0 HA GLU A 26 21.039 9.046 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.935 9.984 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.949 11.041 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.820 12.214 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.841 12.409 2.081 1.00 0.00 H new ATOM 456 N THR A 27 19.363 11.109 4.398 1.00 0.00 N ATOM 457 CA THR A 27 19.474 11.939 5.591 1.00 0.00 C ATOM 458 C THR A 27 18.106 12.429 6.050 1.00 0.00 C ATOM 459 O THR A 27 17.098 12.197 5.382 1.00 0.00 O ATOM 460 CB THR A 27 20.386 13.156 5.345 1.00 0.00 C ATOM 461 OG1 THR A 27 20.657 13.824 6.583 1.00 0.00 O ATOM 462 CG2 THR A 27 19.740 14.128 4.370 1.00 0.00 C ATOM 0 H THR A 27 18.418 11.037 4.021 1.00 0.00 H new ATOM 0 HA THR A 27 19.913 11.315 6.370 1.00 0.00 H new ATOM 0 HB THR A 27 21.321 12.800 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.026 14.713 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 27 20.402 14.979 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 27 19.562 13.625 3.419 1.00 0.00 H new ATOM 0 HG23 THR A 27 18.792 14.477 4.779 1.00 0.00 H new ATOM 470 N GLN A 28 18.077 13.106 7.193 1.00 0.00 N ATOM 471 CA GLN A 28 16.830 13.628 7.740 1.00 0.00 C ATOM 472 C GLN A 28 16.736 15.136 7.536 1.00 0.00 C ATOM 473 O GLN A 28 16.323 15.870 8.435 1.00 0.00 O ATOM 474 CB GLN A 28 16.724 13.295 9.229 1.00 0.00 C ATOM 475 CG GLN A 28 15.293 13.114 9.711 1.00 0.00 C ATOM 476 CD GLN A 28 14.675 14.408 10.203 1.00 0.00 C ATOM 477 OE1 GLN A 28 13.670 14.873 9.665 1.00 0.00 O ATOM 478 NE2 GLN A 28 15.273 14.997 11.232 1.00 0.00 N ATOM 0 H GLN A 28 18.902 13.306 7.758 1.00 0.00 H new ATOM 0 HA GLN A 28 16.003 13.156 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.285 12.382 9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 28 17.195 14.091 9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.688 12.713 8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.275 12.378 10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.104 14.577 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.901 15.870 11.607 1.00 0.00 H new ATOM 487 N TYR A 29 17.120 15.593 6.349 1.00 0.00 N ATOM 488 CA TYR A 29 17.081 17.014 6.028 1.00 0.00 C ATOM 489 C TYR A 29 16.026 17.304 4.965 1.00 0.00 C ATOM 490 O TYR A 29 16.328 17.479 3.785 1.00 0.00 O ATOM 491 CB TYR A 29 18.453 17.487 5.542 1.00 0.00 C ATOM 492 CG TYR A 29 19.573 17.193 6.514 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.403 17.387 7.880 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.802 16.723 6.067 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.424 17.121 8.771 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.828 16.453 6.952 1.00 0.00 C ATOM 497 CZ TYR A 29 21.634 16.654 8.303 1.00 0.00 C ATOM 498 OH TYR A 29 22.655 16.387 9.187 1.00 0.00 O ATOM 0 H TYR A 29 17.462 14.999 5.593 1.00 0.00 H new ATOM 0 HA TYR A 29 16.816 17.558 6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.676 17.009 4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.414 18.561 5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.457 17.752 8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.958 16.566 5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.275 17.278 9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.777 16.087 6.588 1.00 0.00 H new ATOM 0 HH TYR A 29 23.438 16.065 8.694 1.00 0.00 H new ATOM 508 N PRO A 30 14.756 17.356 5.393 1.00 0.00 N ATOM 509 CA PRO A 30 13.628 17.626 4.496 1.00 0.00 C ATOM 510 C PRO A 30 13.620 19.064 3.991 1.00 0.00 C ATOM 511 O PRO A 30 12.861 19.900 4.482 1.00 0.00 O ATOM 512 CB PRO A 30 12.404 17.361 5.375 1.00 0.00 C ATOM 513 CG PRO A 30 12.882 17.587 6.768 1.00 0.00 C ATOM 514 CD PRO A 30 14.322 17.157 6.786 1.00 0.00 C ATOM 0 HA PRO A 30 13.666 17.010 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.583 18.033 5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.035 16.344 5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.784 18.636 7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.293 17.010 7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.911 17.756 7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.427 16.117 7.095 1.00 0.00 H new ATOM 522 N ASP A 31 14.468 19.346 3.008 1.00 0.00 N ATOM 523 CA ASP A 31 14.557 20.684 2.435 1.00 0.00 C ATOM 524 C ASP A 31 14.425 20.635 0.916 1.00 0.00 C ATOM 525 O ASP A 31 14.375 19.559 0.321 1.00 0.00 O ATOM 526 CB ASP A 31 15.883 21.341 2.823 1.00 0.00 C ATOM 527 CG ASP A 31 15.878 21.859 4.248 1.00 0.00 C ATOM 528 OD1 ASP A 31 15.497 23.031 4.450 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.255 21.094 5.160 1.00 0.00 O ATOM 0 H ASP A 31 15.104 18.666 2.591 1.00 0.00 H new ATOM 0 HA ASP A 31 13.735 21.278 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.691 20.619 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.090 22.165 2.141 1.00 0.00 H new ATOM 534 N VAL A 32 14.368 21.808 0.294 1.00 0.00 N ATOM 535 CA VAL A 32 14.241 21.900 -1.156 1.00 0.00 C ATOM 536 C VAL A 32 15.313 21.072 -1.854 1.00 0.00 C ATOM 537 O VAL A 32 15.034 20.361 -2.820 1.00 0.00 O ATOM 538 CB VAL A 32 14.340 23.359 -1.637 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.090 24.135 -1.250 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.586 24.023 -1.071 1.00 0.00 C ATOM 0 H VAL A 32 14.408 22.708 0.772 1.00 0.00 H new ATOM 0 HA VAL A 32 13.257 21.507 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 32 14.417 23.360 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.178 25.164 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.217 23.670 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.978 24.127 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.640 25.054 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.542 24.012 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.471 23.480 -1.404 1.00 0.00 H new ATOM 550 N PHE A 33 16.543 21.168 -1.360 1.00 0.00 N ATOM 551 CA PHE A 33 17.659 20.428 -1.937 1.00 0.00 C ATOM 552 C PHE A 33 17.357 18.933 -1.980 1.00 0.00 C ATOM 553 O PHE A 33 17.926 18.197 -2.784 1.00 0.00 O ATOM 554 CB PHE A 33 18.936 20.679 -1.131 1.00 0.00 C ATOM 555 CG PHE A 33 19.887 21.633 -1.795 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.676 21.219 -2.856 1.00 0.00 C ATOM 557 CD2 PHE A 33 19.992 22.944 -1.359 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.552 22.095 -3.470 1.00 0.00 C ATOM 559 CE2 PHE A 33 20.865 23.824 -1.969 1.00 0.00 C ATOM 560 CZ PHE A 33 21.647 23.399 -3.025 1.00 0.00 C ATOM 0 H PHE A 33 16.792 21.751 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 33 17.806 20.780 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.666 21.071 -0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.444 19.729 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.606 20.200 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.384 23.282 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 33 22.161 21.760 -4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 33 20.936 24.844 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.331 24.085 -3.502 1.00 0.00 H new ATOM 570 N ALA A 34 16.456 18.493 -1.107 1.00 0.00 N ATOM 571 CA ALA A 34 16.076 17.087 -1.046 1.00 0.00 C ATOM 572 C ALA A 34 14.951 16.779 -2.028 1.00 0.00 C ATOM 573 O ALA A 34 15.133 16.011 -2.973 1.00 0.00 O ATOM 574 CB ALA A 34 15.660 16.714 0.369 1.00 0.00 C ATOM 0 H ALA A 34 15.976 19.090 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 34 16.943 16.490 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.379 15.661 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.493 16.887 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.810 17.326 0.672 1.00 0.00 H new ATOM 580 N ARG A 35 13.789 17.382 -1.798 1.00 0.00 N ATOM 581 CA ARG A 35 12.635 17.170 -2.662 1.00 0.00 C ATOM 582 C ARG A 35 12.974 17.496 -4.114 1.00 0.00 C ATOM 583 O ARG A 35 12.641 16.738 -5.024 1.00 0.00 O ATOM 584 CB ARG A 35 11.458 18.030 -2.197 1.00 0.00 C ATOM 585 CG ARG A 35 11.796 19.507 -2.072 1.00 0.00 C ATOM 586 CD ARG A 35 10.648 20.290 -1.453 1.00 0.00 C ATOM 587 NE ARG A 35 10.632 21.681 -1.898 1.00 0.00 N ATOM 588 CZ ARG A 35 9.556 22.458 -1.843 1.00 0.00 C ATOM 589 NH1 ARG A 35 8.415 21.982 -1.363 1.00 0.00 N ATOM 590 NH2 ARG A 35 9.620 23.713 -2.267 1.00 0.00 N ATOM 0 H ARG A 35 13.622 18.021 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 35 12.355 16.118 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.633 17.913 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.109 17.663 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.691 19.626 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.026 19.914 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.703 19.815 -1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.731 20.258 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 35 11.494 22.078 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.362 21.018 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.590 22.580 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.496 24.083 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.793 24.309 -2.224 1.00 0.00 H new ATOM 604 N GLU A 36 13.639 18.628 -4.321 1.00 0.00 N ATOM 605 CA GLU A 36 14.022 19.054 -5.662 1.00 0.00 C ATOM 606 C GLU A 36 14.958 18.037 -6.309 1.00 0.00 C ATOM 607 O GLU A 36 15.039 17.944 -7.534 1.00 0.00 O ATOM 608 CB GLU A 36 14.699 20.426 -5.611 1.00 0.00 C ATOM 609 CG GLU A 36 15.023 20.996 -6.982 1.00 0.00 C ATOM 610 CD GLU A 36 15.455 22.448 -6.923 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.862 23.211 -6.132 1.00 0.00 O ATOM 612 OE2 GLU A 36 16.385 22.822 -7.667 1.00 0.00 O ATOM 0 H GLU A 36 13.924 19.266 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 36 13.117 19.125 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.049 21.123 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.620 20.346 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.815 20.403 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.147 20.907 -7.624 1.00 0.00 H new ATOM 619 N ARG A 37 15.663 17.277 -5.477 1.00 0.00 N ATOM 620 CA ARG A 37 16.594 16.268 -5.968 1.00 0.00 C ATOM 621 C ARG A 37 15.850 15.013 -6.413 1.00 0.00 C ATOM 622 O ARG A 37 15.877 14.645 -7.588 1.00 0.00 O ATOM 623 CB ARG A 37 17.612 15.913 -4.883 1.00 0.00 C ATOM 624 CG ARG A 37 18.645 14.891 -5.328 1.00 0.00 C ATOM 625 CD ARG A 37 19.184 14.094 -4.150 1.00 0.00 C ATOM 626 NE ARG A 37 20.351 14.733 -3.546 1.00 0.00 N ATOM 627 CZ ARG A 37 21.571 14.677 -4.068 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.784 14.016 -5.197 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.582 15.284 -3.459 1.00 0.00 N ATOM 0 H ARG A 37 15.607 17.341 -4.461 1.00 0.00 H new ATOM 0 HA ARG A 37 17.120 16.682 -6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.125 16.821 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.082 15.526 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.197 14.212 -6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.467 15.399 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.402 13.983 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.451 13.091 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 37 20.222 15.250 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.010 13.548 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.722 13.975 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.422 15.794 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.519 15.241 -3.860 1.00 0.00 H new ATOM 643 N VAL A 38 15.185 14.357 -5.466 1.00 0.00 N ATOM 644 CA VAL A 38 14.433 13.144 -5.761 1.00 0.00 C ATOM 645 C VAL A 38 13.434 13.376 -6.889 1.00 0.00 C ATOM 646 O VAL A 38 13.032 12.439 -7.578 1.00 0.00 O ATOM 647 CB VAL A 38 13.678 12.636 -4.518 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.632 11.935 -3.563 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.963 13.785 -3.823 1.00 0.00 C ATOM 0 H VAL A 38 15.152 14.646 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 38 15.157 12.391 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 38 12.928 11.913 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.081 11.583 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.093 11.086 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.407 12.633 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.435 13.408 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.693 14.533 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.249 14.238 -4.510 1.00 0.00 H new ATOM 659 N ALA A 39 13.038 14.631 -7.072 1.00 0.00 N ATOM 660 CA ALA A 39 12.088 14.987 -8.118 1.00 0.00 C ATOM 661 C ALA A 39 12.586 14.539 -9.488 1.00 0.00 C ATOM 662 O ALA A 39 11.793 14.235 -10.379 1.00 0.00 O ATOM 663 CB ALA A 39 11.834 16.488 -8.112 1.00 0.00 C ATOM 0 H ALA A 39 13.361 15.418 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 39 11.151 14.470 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.123 16.740 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.426 16.784 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.771 17.016 -8.288 1.00 0.00 H new ATOM 669 N ASP A 40 13.904 14.501 -9.650 1.00 0.00 N ATOM 670 CA ASP A 40 14.508 14.089 -10.911 1.00 0.00 C ATOM 671 C ASP A 40 14.635 12.571 -10.983 1.00 0.00 C ATOM 672 O ASP A 40 14.846 12.007 -12.057 1.00 0.00 O ATOM 673 CB ASP A 40 15.884 14.737 -11.078 1.00 0.00 C ATOM 674 CG ASP A 40 16.337 14.770 -12.525 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.595 15.318 -13.367 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.434 14.248 -12.815 1.00 0.00 O ATOM 0 H ASP A 40 14.575 14.751 -8.923 1.00 0.00 H new ATOM 0 HA ASP A 40 13.858 14.420 -11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.853 15.754 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.615 14.189 -10.484 1.00 0.00 H new ATOM 681 N GLN A 41 14.507 11.916 -9.834 1.00 0.00 N ATOM 682 CA GLN A 41 14.610 10.463 -9.767 1.00 0.00 C ATOM 683 C GLN A 41 13.323 9.804 -10.253 1.00 0.00 C ATOM 684 O GLN A 41 13.352 8.923 -11.113 1.00 0.00 O ATOM 685 CB GLN A 41 14.917 10.018 -8.336 1.00 0.00 C ATOM 686 CG GLN A 41 16.280 10.470 -7.837 1.00 0.00 C ATOM 687 CD GLN A 41 17.404 9.577 -8.324 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.179 8.630 -9.077 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.625 9.876 -7.895 1.00 0.00 N ATOM 0 H GLN A 41 14.332 12.368 -8.937 1.00 0.00 H new ATOM 0 HA GLN A 41 15.425 10.150 -10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.148 10.409 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.862 8.931 -8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.463 11.492 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.278 10.484 -6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.766 10.671 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.422 9.311 -8.189 1.00 0.00 H new ATOM 698 N ILE A 42 12.196 10.235 -9.696 1.00 0.00 N ATOM 699 CA ILE A 42 10.900 9.687 -10.073 1.00 0.00 C ATOM 700 C ILE A 42 10.266 10.499 -11.198 1.00 0.00 C ATOM 701 O ILE A 42 9.208 10.140 -11.716 1.00 0.00 O ATOM 702 CB ILE A 42 9.934 9.650 -8.874 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.355 11.043 -8.615 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.646 9.128 -7.636 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.272 11.060 -7.559 1.00 0.00 C ATOM 0 H ILE A 42 12.155 10.962 -8.982 1.00 0.00 H new ATOM 0 HA ILE A 42 11.076 8.668 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 42 9.112 8.973 -9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.160 11.711 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.949 11.438 -9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.950 9.108 -6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.014 8.120 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.485 9.782 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.908 12.079 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.449 10.418 -7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.678 10.695 -6.615 1.00 0.00 H new ATOM 717 N ARG A 43 10.920 11.593 -11.572 1.00 0.00 N ATOM 718 CA ARG A 43 10.421 12.456 -12.636 1.00 0.00 C ATOM 719 C ARG A 43 9.135 13.156 -12.209 1.00 0.00 C ATOM 720 O ARG A 43 8.102 13.037 -12.870 1.00 0.00 O ATOM 721 CB ARG A 43 10.174 11.642 -13.907 1.00 0.00 C ATOM 722 CG ARG A 43 10.075 12.491 -15.164 1.00 0.00 C ATOM 723 CD ARG A 43 11.374 13.233 -15.439 1.00 0.00 C ATOM 724 NE ARG A 43 11.367 13.883 -16.747 1.00 0.00 N ATOM 725 CZ ARG A 43 11.603 13.243 -17.887 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.863 11.943 -17.880 1.00 0.00 N ATOM 727 NH2 ARG A 43 11.579 13.904 -19.037 1.00 0.00 N ATOM 0 H ARG A 43 11.797 11.903 -11.154 1.00 0.00 H new ATOM 0 HA ARG A 43 11.177 13.215 -12.840 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.982 10.920 -14.029 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.252 11.072 -13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.830 11.856 -16.015 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.261 13.208 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.535 13.981 -14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.209 12.534 -15.386 1.00 0.00 H new ATOM 0 HE ARG A 43 11.170 14.883 -16.787 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.882 11.431 -16.998 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.044 11.454 -18.757 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.379 14.904 -19.046 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.760 13.412 -19.912 1.00 0.00 H new ATOM 741 N LEU A 44 9.204 13.886 -11.102 1.00 0.00 N ATOM 742 CA LEU A 44 8.045 14.606 -10.586 1.00 0.00 C ATOM 743 C LEU A 44 8.437 16.002 -10.113 1.00 0.00 C ATOM 744 O LEU A 44 9.618 16.297 -9.933 1.00 0.00 O ATOM 745 CB LEU A 44 7.406 13.826 -9.435 1.00 0.00 C ATOM 746 CG LEU A 44 6.039 14.324 -8.964 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.060 14.376 -10.127 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.502 13.436 -7.851 1.00 0.00 C ATOM 0 H LEU A 44 10.051 13.995 -10.544 1.00 0.00 H new ATOM 0 HA LEU A 44 7.321 14.706 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.306 12.784 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.090 13.845 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 44 6.157 15.334 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.093 14.733 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.439 15.054 -10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.946 13.378 -10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.529 13.806 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.399 12.415 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.193 13.451 -7.008 1.00 0.00 H new ATOM 760 N GLN A 45 7.438 16.856 -9.913 1.00 0.00 N ATOM 761 CA GLN A 45 7.679 18.221 -9.459 1.00 0.00 C ATOM 762 C GLN A 45 8.481 18.229 -8.162 1.00 0.00 C ATOM 763 O GLN A 45 8.417 17.285 -7.376 1.00 0.00 O ATOM 764 CB GLN A 45 6.353 18.956 -9.258 1.00 0.00 C ATOM 765 CG GLN A 45 6.100 20.046 -10.287 1.00 0.00 C ATOM 766 CD GLN A 45 7.076 21.199 -10.168 1.00 0.00 C ATOM 767 OE1 GLN A 45 8.233 21.094 -10.575 1.00 0.00 O ATOM 768 NE2 GLN A 45 6.614 22.311 -9.606 1.00 0.00 N ATOM 0 H GLN A 45 6.455 16.627 -10.058 1.00 0.00 H new ATOM 0 HA GLN A 45 8.258 18.736 -10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.537 18.234 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.339 19.398 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.169 19.619 -11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.084 20.422 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.648 22.355 -9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.226 23.120 -9.498 1.00 0.00 H new ATOM 777 N GLU A 46 9.235 19.303 -7.945 1.00 0.00 N ATOM 778 CA GLU A 46 10.050 19.432 -6.743 1.00 0.00 C ATOM 779 C GLU A 46 9.175 19.666 -5.515 1.00 0.00 C ATOM 780 O GLU A 46 9.416 19.097 -4.451 1.00 0.00 O ATOM 781 CB GLU A 46 11.048 20.582 -6.899 1.00 0.00 C ATOM 782 CG GLU A 46 10.392 21.923 -7.182 1.00 0.00 C ATOM 783 CD GLU A 46 11.402 23.020 -7.459 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.806 23.173 -8.631 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.789 23.725 -6.503 1.00 0.00 O ATOM 0 H GLU A 46 9.298 20.095 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 46 10.598 18.500 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.642 20.663 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.738 20.346 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.725 21.823 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.776 22.209 -6.330 1.00 0.00 H new ATOM 792 N SER A 47 8.159 20.508 -5.672 1.00 0.00 N ATOM 793 CA SER A 47 7.250 20.822 -4.576 1.00 0.00 C ATOM 794 C SER A 47 6.155 19.766 -4.459 1.00 0.00 C ATOM 795 O SER A 47 5.532 19.614 -3.408 1.00 0.00 O ATOM 796 CB SER A 47 6.623 22.202 -4.783 1.00 0.00 C ATOM 797 OG SER A 47 5.772 22.210 -5.916 1.00 0.00 O ATOM 0 H SER A 47 7.944 20.985 -6.548 1.00 0.00 H new ATOM 0 HA SER A 47 7.826 20.828 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.056 22.484 -3.896 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.409 22.947 -4.909 1.00 0.00 H new ATOM 0 HG SER A 47 5.382 23.102 -6.026 1.00 0.00 H new ATOM 803 N ARG A 48 5.926 19.037 -5.547 1.00 0.00 N ATOM 804 CA ARG A 48 4.905 17.996 -5.569 1.00 0.00 C ATOM 805 C ARG A 48 5.411 16.726 -4.891 1.00 0.00 C ATOM 806 O ARG A 48 4.701 16.112 -4.093 1.00 0.00 O ATOM 807 CB ARG A 48 4.491 17.689 -7.009 1.00 0.00 C ATOM 808 CG ARG A 48 3.356 16.683 -7.114 1.00 0.00 C ATOM 809 CD ARG A 48 2.110 17.170 -6.391 1.00 0.00 C ATOM 810 NE ARG A 48 1.659 18.466 -6.890 1.00 0.00 N ATOM 811 CZ ARG A 48 0.520 19.040 -6.520 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.279 18.436 -5.652 1.00 0.00 N ATOM 813 NH2 ARG A 48 0.178 20.221 -7.019 1.00 0.00 N ATOM 0 H ARG A 48 6.434 19.148 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 48 4.037 18.360 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.190 18.616 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.355 17.308 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.122 16.505 -8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.673 15.730 -6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.312 16.438 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.316 17.244 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 48 2.251 18.957 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.020 17.528 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.153 18.879 -5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.790 20.689 -7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.697 20.661 -6.734 1.00 0.00 H new ATOM 827 N ILE A 49 6.639 16.337 -5.215 1.00 0.00 N ATOM 828 CA ILE A 49 7.239 15.141 -4.638 1.00 0.00 C ATOM 829 C ILE A 49 7.186 15.180 -3.114 1.00 0.00 C ATOM 830 O ILE A 49 7.229 14.141 -2.456 1.00 0.00 O ATOM 831 CB ILE A 49 8.703 14.972 -5.085 1.00 0.00 C ATOM 832 CG1 ILE A 49 9.042 13.489 -5.249 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.641 15.629 -4.084 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.428 13.244 -5.802 1.00 0.00 C ATOM 0 H ILE A 49 7.238 16.833 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 49 6.658 14.292 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 49 8.832 15.462 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.953 12.995 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.309 13.028 -5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.672 15.501 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.412 16.692 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.512 15.165 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.600 12.171 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.515 13.709 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.170 13.675 -5.129 1.00 0.00 H new ATOM 846 N GLN A 50 7.090 16.385 -2.562 1.00 0.00 N ATOM 847 CA GLN A 50 7.030 16.558 -1.115 1.00 0.00 C ATOM 848 C GLN A 50 5.869 15.769 -0.520 1.00 0.00 C ATOM 849 O GLN A 50 6.014 15.117 0.514 1.00 0.00 O ATOM 850 CB GLN A 50 6.888 18.040 -0.764 1.00 0.00 C ATOM 851 CG GLN A 50 7.934 18.535 0.222 1.00 0.00 C ATOM 852 CD GLN A 50 7.525 19.822 0.910 1.00 0.00 C ATOM 853 OE1 GLN A 50 6.337 20.106 1.067 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.510 20.610 1.326 1.00 0.00 N ATOM 0 H GLN A 50 7.052 17.255 -3.093 1.00 0.00 H new ATOM 0 HA GLN A 50 7.959 16.178 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.955 18.629 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.896 18.212 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.111 17.766 0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.877 18.692 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.481 20.336 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.296 21.489 1.796 1.00 0.00 H new ATOM 863 N VAL A 51 4.717 15.833 -1.179 1.00 0.00 N ATOM 864 CA VAL A 51 3.530 15.123 -0.716 1.00 0.00 C ATOM 865 C VAL A 51 3.733 13.614 -0.778 1.00 0.00 C ATOM 866 O VAL A 51 3.166 12.868 0.020 1.00 0.00 O ATOM 867 CB VAL A 51 2.290 15.499 -1.549 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.210 17.006 -1.738 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.316 14.785 -2.892 1.00 0.00 C ATOM 0 H VAL A 51 4.580 16.369 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 51 3.366 15.422 0.319 1.00 0.00 H new ATOM 0 HB VAL A 51 1.399 15.178 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.328 17.252 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.142 17.492 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.103 17.356 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.433 15.061 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.212 15.074 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.321 13.707 -2.731 1.00 0.00 H new ATOM 879 N TRP A 52 4.545 13.171 -1.731 1.00 0.00 N ATOM 880 CA TRP A 52 4.823 11.749 -1.898 1.00 0.00 C ATOM 881 C TRP A 52 5.933 11.297 -0.956 1.00 0.00 C ATOM 882 O TRP A 52 6.078 10.107 -0.677 1.00 0.00 O ATOM 883 CB TRP A 52 5.214 11.451 -3.347 1.00 0.00 C ATOM 884 CG TRP A 52 4.039 11.181 -4.236 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.287 12.105 -4.904 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.479 9.901 -4.552 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.294 11.476 -5.616 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.391 10.125 -5.418 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.793 8.589 -4.189 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.617 9.084 -5.923 1.00 0.00 C ATOM 891 CZ3 TRP A 52 3.024 7.557 -4.692 1.00 0.00 C ATOM 892 CH2 TRP A 52 1.946 7.809 -5.552 1.00 0.00 C ATOM 0 H TRP A 52 5.022 13.776 -2.400 1.00 0.00 H new ATOM 0 HA TRP A 52 3.916 11.196 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.775 12.296 -3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.880 10.589 -3.366 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.449 13.172 -4.877 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.597 11.941 -6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.622 8.385 -3.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.785 9.276 -6.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.257 6.539 -4.418 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.364 6.981 -5.929 1.00 0.00 H new ATOM 903 N PHE A 53 6.715 12.254 -0.468 1.00 0.00 N ATOM 904 CA PHE A 53 7.813 11.954 0.444 1.00 0.00 C ATOM 905 C PHE A 53 7.303 11.246 1.695 1.00 0.00 C ATOM 906 O PHE A 53 8.071 10.614 2.422 1.00 0.00 O ATOM 907 CB PHE A 53 8.547 13.239 0.834 1.00 0.00 C ATOM 908 CG PHE A 53 9.633 13.025 1.848 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.701 12.187 1.572 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.587 13.663 3.077 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.702 11.987 2.504 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.585 13.468 4.013 1.00 0.00 C ATOM 913 CZ PHE A 53 11.645 12.629 3.726 1.00 0.00 C ATOM 0 H PHE A 53 6.609 13.244 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 53 8.508 11.290 -0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.980 13.687 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.826 13.953 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.752 11.684 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.761 14.321 3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.528 11.329 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.537 13.971 4.968 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.427 12.476 4.455 1.00 0.00 H new ATOM 923 N LYS A 54 6.003 11.358 1.942 1.00 0.00 N ATOM 924 CA LYS A 54 5.387 10.729 3.105 1.00 0.00 C ATOM 925 C LYS A 54 4.975 9.294 2.793 1.00 0.00 C ATOM 926 O LYS A 54 4.709 8.504 3.698 1.00 0.00 O ATOM 927 CB LYS A 54 4.168 11.534 3.560 1.00 0.00 C ATOM 928 CG LYS A 54 3.747 11.245 4.991 1.00 0.00 C ATOM 929 CD LYS A 54 2.239 11.327 5.156 1.00 0.00 C ATOM 930 CE LYS A 54 1.772 10.578 6.395 1.00 0.00 C ATOM 931 NZ LYS A 54 2.564 10.951 7.600 1.00 0.00 N ATOM 0 H LYS A 54 5.354 11.879 1.352 1.00 0.00 H new ATOM 0 HA LYS A 54 6.123 10.710 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.388 12.597 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.332 11.319 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.092 10.252 5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.227 11.957 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.936 12.372 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.752 10.912 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.718 10.792 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.855 9.505 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.095 10.583 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.519 10.545 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.633 11.987 7.663 1.00 0.00 H new ATOM 945 N ASN A 55 4.924 8.964 1.507 1.00 0.00 N ATOM 946 CA ASN A 55 4.544 7.624 1.076 1.00 0.00 C ATOM 947 C ASN A 55 5.173 6.565 1.976 1.00 0.00 C ATOM 948 O ASN A 55 4.487 5.927 2.775 1.00 0.00 O ATOM 949 CB ASN A 55 4.968 7.393 -0.376 1.00 0.00 C ATOM 950 CG ASN A 55 4.781 5.952 -0.810 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.775 5.320 -0.488 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.753 5.425 -1.546 1.00 0.00 N ATOM 0 H ASN A 55 5.141 9.606 0.745 1.00 0.00 H new ATOM 0 HA ASN A 55 3.460 7.540 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.388 8.045 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.015 7.673 -0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.683 4.460 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.570 5.986 -1.790 1.00 0.00 H new ATOM 959 N ARG A 56 6.483 6.383 1.840 1.00 0.00 N ATOM 960 CA ARG A 56 7.205 5.401 2.640 1.00 0.00 C ATOM 961 C ARG A 56 7.607 5.989 3.990 1.00 0.00 C ATOM 962 O ARG A 56 7.574 5.303 5.012 1.00 0.00 O ATOM 963 CB ARG A 56 8.448 4.917 1.892 1.00 0.00 C ATOM 964 CG ARG A 56 8.884 3.513 2.279 1.00 0.00 C ATOM 965 CD ARG A 56 10.292 3.504 2.852 1.00 0.00 C ATOM 966 NE ARG A 56 10.531 2.339 3.700 1.00 0.00 N ATOM 967 CZ ARG A 56 10.084 2.234 4.947 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.379 3.218 5.487 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.342 1.142 5.655 1.00 0.00 N ATOM 0 H ARG A 56 7.065 6.903 1.183 1.00 0.00 H new ATOM 0 HA ARG A 56 6.542 4.554 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.250 4.944 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.269 5.609 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.189 3.105 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.842 2.864 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.015 3.513 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.453 4.413 3.431 1.00 0.00 H new ATOM 0 HE ARG A 56 11.070 1.564 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.178 4.059 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.037 3.135 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.884 0.383 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.999 1.062 6.612 1.00 0.00 H new ATOM 983 N ARG A 57 7.987 7.262 3.985 1.00 0.00 N ATOM 984 CA ARG A 57 8.397 7.942 5.208 1.00 0.00 C ATOM 985 C ARG A 57 7.391 7.697 6.329 1.00 0.00 C ATOM 986 O ARG A 57 7.744 7.720 7.508 1.00 0.00 O ATOM 987 CB ARG A 57 8.541 9.444 4.958 1.00 0.00 C ATOM 988 CG ARG A 57 8.744 10.256 6.227 1.00 0.00 C ATOM 989 CD ARG A 57 7.437 10.860 6.717 1.00 0.00 C ATOM 990 NE ARG A 57 7.652 12.097 7.463 1.00 0.00 N ATOM 991 CZ ARG A 57 8.140 12.135 8.698 1.00 0.00 C ATOM 992 NH1 ARG A 57 8.463 11.010 9.321 1.00 0.00 N ATOM 993 NH2 ARG A 57 8.306 13.300 9.311 1.00 0.00 N ATOM 0 H ARG A 57 8.020 7.844 3.148 1.00 0.00 H new ATOM 0 HA ARG A 57 9.362 7.537 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.385 9.613 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.650 9.805 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.166 9.619 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.466 11.051 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.787 11.059 5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.920 10.140 7.351 1.00 0.00 H new ATOM 0 HE ARG A 57 7.414 12.980 7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.337 10.113 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.838 11.042 10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.059 14.167 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.681 13.329 10.259 1.00 0.00 H new ATOM 1007 N ALA A 58 6.138 7.462 5.953 1.00 0.00 N ATOM 1008 CA ALA A 58 5.083 7.211 6.926 1.00 0.00 C ATOM 1009 C ALA A 58 4.982 5.726 7.256 1.00 0.00 C ATOM 1010 O ALA A 58 4.717 5.349 8.398 1.00 0.00 O ATOM 1011 CB ALA A 58 3.750 7.730 6.406 1.00 0.00 C ATOM 0 H ALA A 58 5.829 7.440 4.981 1.00 0.00 H new ATOM 0 HA ALA A 58 5.335 7.744 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.971 7.536 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.822 8.803 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.501 7.224 5.473 1.00 0.00 H new ATOM 1017 N LYS A 59 5.195 4.885 6.250 1.00 0.00 N ATOM 1018 CA LYS A 59 5.129 3.440 6.432 1.00 0.00 C ATOM 1019 C LYS A 59 6.081 2.987 7.534 1.00 0.00 C ATOM 1020 O LYS A 59 5.905 1.917 8.119 1.00 0.00 O ATOM 1021 CB LYS A 59 5.469 2.724 5.123 1.00 0.00 C ATOM 1022 CG LYS A 59 4.250 2.214 4.374 1.00 0.00 C ATOM 1023 CD LYS A 59 3.385 3.357 3.872 1.00 0.00 C ATOM 1024 CE LYS A 59 1.930 2.937 3.736 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.209 3.005 5.037 1.00 0.00 N ATOM 0 H LYS A 59 5.415 5.180 5.299 1.00 0.00 H new ATOM 0 HA LYS A 59 4.112 3.182 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.022 3.407 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.130 1.884 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.570 1.601 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.662 1.572 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.459 4.200 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.758 3.700 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.432 3.581 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.880 1.920 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.221 2.711 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.668 2.371 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.234 3.980 5.397 1.00 0.00 H new ATOM 1039 N TYR A 60 7.088 3.807 7.814 1.00 0.00 N ATOM 1040 CA TYR A 60 8.068 3.489 8.846 1.00 0.00 C ATOM 1041 C TYR A 60 7.379 3.071 10.141 1.00 0.00 C ATOM 1042 O TYR A 60 7.918 2.280 10.916 1.00 0.00 O ATOM 1043 CB TYR A 60 8.976 4.693 9.103 1.00 0.00 C ATOM 1044 CG TYR A 60 8.469 5.612 10.192 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.326 6.379 10.004 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.133 5.713 11.408 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.860 7.221 10.995 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.673 6.551 12.405 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.536 7.303 12.194 1.00 0.00 C ATOM 1050 OH TYR A 60 7.075 8.139 13.185 1.00 0.00 O ATOM 0 H TYR A 60 7.247 4.697 7.341 1.00 0.00 H new ATOM 0 HA TYR A 60 8.673 2.654 8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.970 4.337 9.373 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.082 5.262 8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.793 6.316 9.067 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.024 5.126 11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.971 7.812 10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.201 6.617 13.345 1.00 0.00 H new ATOM 0 HH TYR A 60 7.665 8.078 13.965 1.00 0.00 H new ATOM 1060 N ARG A 61 6.185 3.607 10.369 1.00 0.00 N ATOM 1061 CA ARG A 61 5.422 3.291 11.570 1.00 0.00 C ATOM 1062 C ARG A 61 4.676 1.969 11.408 1.00 0.00 C ATOM 1063 O ARG A 61 4.588 1.175 12.345 1.00 0.00 O ATOM 1064 CB ARG A 61 4.430 4.413 11.880 1.00 0.00 C ATOM 1065 CG ARG A 61 4.120 4.560 13.360 1.00 0.00 C ATOM 1066 CD ARG A 61 2.701 5.059 13.586 1.00 0.00 C ATOM 1067 NE ARG A 61 2.670 6.274 14.395 1.00 0.00 N ATOM 1068 CZ ARG A 61 2.985 7.477 13.927 1.00 0.00 C ATOM 1069 NH1 ARG A 61 3.352 7.624 12.662 1.00 0.00 N ATOM 1070 NH2 ARG A 61 2.932 8.535 14.726 1.00 0.00 N ATOM 0 H ARG A 61 5.725 4.263 9.737 1.00 0.00 H new ATOM 0 HA ARG A 61 6.122 3.195 12.400 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.831 5.355 11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.502 4.225 11.340 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.252 3.599 13.858 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.827 5.254 13.814 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.227 5.252 12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.117 4.281 14.078 1.00 0.00 H new ATOM 0 HE ARG A 61 2.391 6.195 15.373 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.393 6.813 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.593 8.549 12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.649 8.425 15.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.174 9.458 14.366 1.00 0.00 H new ATOM 1084 N LEU A 62 4.141 1.740 10.213 1.00 0.00 N ATOM 1085 CA LEU A 62 3.402 0.515 9.928 1.00 0.00 C ATOM 1086 C LEU A 62 4.253 -0.715 10.223 1.00 0.00 C ATOM 1087 O LEU A 62 3.771 -1.692 10.796 1.00 0.00 O ATOM 1088 CB LEU A 62 2.949 0.498 8.467 1.00 0.00 C ATOM 1089 CG LEU A 62 1.981 -0.619 8.078 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.043 -0.153 6.976 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.746 -1.859 7.639 1.00 0.00 C ATOM 0 H LEU A 62 4.205 2.386 9.427 1.00 0.00 H new ATOM 0 HA LEU A 62 2.525 0.490 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.477 1.455 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.833 0.422 7.834 1.00 0.00 H new ATOM 0 HG LEU A 62 1.383 -0.875 8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.361 -0.962 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.470 0.706 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.625 0.132 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.041 -2.644 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.370 -1.616 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.376 -2.206 8.458 1.00 0.00 H new ATOM 1103 N GLN A 63 5.522 -0.659 9.830 1.00 0.00 N ATOM 1104 CA GLN A 63 6.440 -1.769 10.054 1.00 0.00 C ATOM 1105 C GLN A 63 6.936 -1.783 11.496 1.00 0.00 C ATOM 1106 O GLN A 63 7.311 -2.829 12.023 1.00 0.00 O ATOM 1107 CB GLN A 63 7.628 -1.678 9.094 1.00 0.00 C ATOM 1108 CG GLN A 63 8.438 -0.401 9.249 1.00 0.00 C ATOM 1109 CD GLN A 63 9.816 -0.505 8.625 1.00 0.00 C ATOM 1110 OE1 GLN A 63 10.066 -1.370 7.786 1.00 0.00 O ATOM 1111 NE2 GLN A 63 10.719 0.379 9.033 1.00 0.00 N ATOM 0 H GLN A 63 5.937 0.143 9.355 1.00 0.00 H new ATOM 0 HA GLN A 63 5.900 -2.697 9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.282 -2.535 9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.263 -1.745 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.897 0.426 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.540 -0.166 10.309 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.468 1.079 9.731 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.663 0.358 8.648 1.00 0.00 H new ATOM 1120 N GLU A 64 6.936 -0.613 12.128 1.00 0.00 N ATOM 1121 CA GLU A 64 7.388 -0.491 13.509 1.00 0.00 C ATOM 1122 C GLU A 64 6.585 -1.408 14.427 1.00 0.00 C ATOM 1123 O GLU A 64 7.150 -2.192 15.190 1.00 0.00 O ATOM 1124 CB GLU A 64 7.265 0.958 13.983 1.00 0.00 C ATOM 1125 CG GLU A 64 8.094 1.267 15.219 1.00 0.00 C ATOM 1126 CD GLU A 64 7.882 2.680 15.725 1.00 0.00 C ATOM 1127 OE1 GLU A 64 7.443 3.537 14.930 1.00 0.00 O ATOM 1128 OE2 GLU A 64 8.157 2.930 16.918 1.00 0.00 O ATOM 0 H GLU A 64 6.628 0.263 11.706 1.00 0.00 H new ATOM 0 HA GLU A 64 8.435 -0.791 13.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.571 1.623 13.175 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.218 1.174 14.195 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.839 0.560 16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.150 1.122 14.990 1.00 0.00 H new ATOM 1135 N LYS A 65 5.263 -1.305 14.347 1.00 0.00 N ATOM 1136 CA LYS A 65 4.380 -2.124 15.168 1.00 0.00 C ATOM 1137 C LYS A 65 4.408 -3.580 14.713 1.00 0.00 C ATOM 1138 O LYS A 65 4.186 -4.492 15.509 1.00 0.00 O ATOM 1139 CB LYS A 65 2.948 -1.587 15.106 1.00 0.00 C ATOM 1140 CG LYS A 65 2.293 -1.759 13.747 1.00 0.00 C ATOM 1141 CD LYS A 65 1.540 -3.075 13.652 1.00 0.00 C ATOM 1142 CE LYS A 65 0.417 -3.003 12.629 1.00 0.00 C ATOM 1143 NZ LYS A 65 -0.631 -4.030 12.883 1.00 0.00 N ATOM 0 H LYS A 65 4.779 -0.661 13.721 1.00 0.00 H new ATOM 0 HA LYS A 65 4.735 -2.077 16.197 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.345 -2.096 15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.954 -0.528 15.366 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.606 -0.932 13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.054 -1.717 12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.232 -3.872 13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.128 -3.331 14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.033 -2.011 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.827 -3.142 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.379 -3.948 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.207 -4.978 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.041 -3.882 13.827 1.00 0.00 H new ATOM 1157 N GLN A 66 4.685 -3.789 13.430 1.00 0.00 N ATOM 1158 CA GLN A 66 4.743 -5.134 12.871 1.00 0.00 C ATOM 1159 C GLN A 66 5.987 -5.872 13.356 1.00 0.00 C ATOM 1160 O GLN A 66 5.896 -6.810 14.147 1.00 0.00 O ATOM 1161 CB GLN A 66 4.735 -5.075 11.342 1.00 0.00 C ATOM 1162 CG GLN A 66 3.338 -5.049 10.742 1.00 0.00 C ATOM 1163 CD GLN A 66 2.731 -6.433 10.619 1.00 0.00 C ATOM 1164 OE1 GLN A 66 1.858 -6.812 11.400 1.00 0.00 O ATOM 1165 NE2 GLN A 66 3.190 -7.195 9.633 1.00 0.00 N ATOM 0 H GLN A 66 4.873 -3.044 12.759 1.00 0.00 H new ATOM 0 HA GLN A 66 3.863 -5.680 13.211 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.277 -4.187 11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.274 -5.938 10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.692 -4.427 11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.378 -4.585 9.757 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.915 -6.840 9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.818 -8.135 9.500 1.00 0.00 H new ATOM 1174 N LYS A 67 7.149 -5.441 12.876 1.00 0.00 N ATOM 1175 CA LYS A 67 8.412 -6.059 13.261 1.00 0.00 C ATOM 1176 C LYS A 67 9.116 -5.236 14.334 1.00 0.00 C ATOM 1177 O LYS A 67 8.900 -4.031 14.468 1.00 0.00 O ATOM 1178 CB LYS A 67 9.322 -6.211 12.040 1.00 0.00 C ATOM 1179 CG LYS A 67 9.461 -4.937 11.223 1.00 0.00 C ATOM 1180 CD LYS A 67 10.430 -5.119 10.067 1.00 0.00 C ATOM 1181 CE LYS A 67 9.958 -6.203 9.109 1.00 0.00 C ATOM 1182 NZ LYS A 67 10.799 -6.264 7.882 1.00 0.00 N ATOM 0 H LYS A 67 7.242 -4.666 12.220 1.00 0.00 H new ATOM 0 HA LYS A 67 8.195 -7.046 13.670 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.310 -6.530 12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.929 -7.002 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.485 -4.642 10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.808 -4.128 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.537 -4.177 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.415 -5.378 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.982 -7.169 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.921 -6.014 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.445 -7.015 7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.757 -5.351 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.784 -6.469 8.146 1.00 0.00 H new ATOM 1196 N PRO A 68 9.981 -5.898 15.117 1.00 0.00 N ATOM 1197 CA PRO A 68 10.737 -5.245 16.191 1.00 0.00 C ATOM 1198 C PRO A 68 11.800 -4.292 15.655 1.00 0.00 C ATOM 1199 O PRO A 68 11.497 -3.164 15.267 1.00 0.00 O ATOM 1200 CB PRO A 68 11.391 -6.417 16.927 1.00 0.00 C ATOM 1201 CG PRO A 68 11.487 -7.499 15.907 1.00 0.00 C ATOM 1202 CD PRO A 68 10.289 -7.334 15.014 1.00 0.00 C ATOM 0 HA PRO A 68 10.098 -4.630 16.824 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.375 -6.145 17.309 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.792 -6.731 17.782 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.413 -7.417 15.337 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.489 -8.481 16.379 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.510 -7.625 13.987 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.453 -7.949 15.346 1.00 0.00 H new TER 1210 PRO A 68