USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 Single : A 1 GLY N :NH3+ 150:sc= 0.00968 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.129 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -108:sc= 0.0205 (180deg=-0.122) USER MOD Single : A 19 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 108:sc= 0.439 USER MOD Single : A 41 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.65) USER MOD Single : A 42 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.6) USER MOD Single : A 43 ASN : amide:sc= -3.96 K(o=-4,f=-3.1!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 53 TYR OH : rot 173:sc= -2.04! USER MOD Single : A 56 ASN : amide:sc=-0.00931 X(o=-0.0093,f=-0.27) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -52:sc= 0.599 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 65 GLN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.548 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.244 8.299 8.816 1.00 0.00 N ATOM 2 CA GLY A 1 4.250 7.315 9.176 1.00 0.00 C ATOM 3 C GLY A 1 5.598 7.648 8.534 1.00 0.00 C ATOM 4 O GLY A 1 5.653 8.064 7.377 1.00 0.00 O ATOM 0 H1 GLY A 1 2.307 7.848 8.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.246 9.069 9.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.458 8.686 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.358 7.280 10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.926 6.325 8.856 1.00 0.00 H new ATOM 8 N SER A 2 6.652 7.454 9.312 1.00 0.00 N ATOM 9 CA SER A 2 7.997 7.729 8.834 1.00 0.00 C ATOM 10 C SER A 2 9.027 7.150 9.807 1.00 0.00 C ATOM 11 O SER A 2 9.144 7.614 10.940 1.00 0.00 O ATOM 12 CB SER A 2 8.221 9.232 8.655 1.00 0.00 C ATOM 13 OG SER A 2 7.800 9.974 9.796 1.00 0.00 O ATOM 0 H SER A 2 6.602 7.109 10.271 1.00 0.00 H new ATOM 0 HA SER A 2 8.119 7.253 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.278 9.421 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.676 9.578 7.777 1.00 0.00 H new ATOM 0 HG SER A 2 8.082 9.509 10.611 1.00 0.00 H new ATOM 19 N SER A 3 9.746 6.146 9.328 1.00 0.00 N ATOM 20 CA SER A 3 10.762 5.499 10.141 1.00 0.00 C ATOM 21 C SER A 3 11.802 4.827 9.242 1.00 0.00 C ATOM 22 O SER A 3 11.465 4.306 8.180 1.00 0.00 O ATOM 23 CB SER A 3 10.138 4.474 11.090 1.00 0.00 C ATOM 24 OG SER A 3 9.575 3.370 10.387 1.00 0.00 O ATOM 0 H SER A 3 9.645 5.765 8.387 1.00 0.00 H new ATOM 0 HA SER A 3 11.253 6.261 10.746 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.897 4.113 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.364 4.957 11.687 1.00 0.00 H new ATOM 0 HG SER A 3 9.188 2.737 11.028 1.00 0.00 H new ATOM 30 N GLY A 4 13.044 4.860 9.701 1.00 0.00 N ATOM 31 CA GLY A 4 14.135 4.260 8.952 1.00 0.00 C ATOM 32 C GLY A 4 14.137 4.747 7.501 1.00 0.00 C ATOM 33 O GLY A 4 13.405 5.672 7.153 1.00 0.00 O ATOM 0 H GLY A 4 13.319 5.293 10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.085 4.509 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.043 3.174 8.975 1.00 0.00 H new ATOM 37 N SER A 5 14.967 4.102 6.695 1.00 0.00 N ATOM 38 CA SER A 5 15.074 4.458 5.291 1.00 0.00 C ATOM 39 C SER A 5 14.274 3.470 4.439 1.00 0.00 C ATOM 40 O SER A 5 13.366 3.867 3.710 1.00 0.00 O ATOM 41 CB SER A 5 16.535 4.486 4.839 1.00 0.00 C ATOM 42 OG SER A 5 17.145 5.751 5.083 1.00 0.00 O ATOM 0 H SER A 5 15.572 3.335 6.988 1.00 0.00 H new ATOM 0 HA SER A 5 14.662 5.459 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.091 3.708 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.590 4.256 3.775 1.00 0.00 H new ATOM 0 HG SER A 5 18.077 5.728 4.782 1.00 0.00 H new ATOM 48 N SER A 6 14.641 2.202 4.558 1.00 0.00 N ATOM 49 CA SER A 6 13.969 1.155 3.807 1.00 0.00 C ATOM 50 C SER A 6 14.573 -0.207 4.155 1.00 0.00 C ATOM 51 O SER A 6 13.851 -1.195 4.283 1.00 0.00 O ATOM 52 CB SER A 6 14.064 1.409 2.302 1.00 0.00 C ATOM 53 OG SER A 6 15.407 1.631 1.881 1.00 0.00 O ATOM 0 H SER A 6 15.395 1.876 5.163 1.00 0.00 H new ATOM 0 HA SER A 6 12.914 1.159 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.652 0.555 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.455 2.274 2.041 1.00 0.00 H new ATOM 0 HG SER A 6 15.425 1.788 0.914 1.00 0.00 H new ATOM 59 N GLY A 7 15.890 -0.216 4.299 1.00 0.00 N ATOM 60 CA GLY A 7 16.599 -1.441 4.629 1.00 0.00 C ATOM 61 C GLY A 7 16.334 -2.526 3.584 1.00 0.00 C ATOM 62 O GLY A 7 16.540 -2.308 2.391 1.00 0.00 O ATOM 0 H GLY A 7 16.485 0.606 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.669 -1.242 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.286 -1.793 5.612 1.00 0.00 H new ATOM 66 N LYS A 8 15.881 -3.673 4.070 1.00 0.00 N ATOM 67 CA LYS A 8 15.586 -4.793 3.193 1.00 0.00 C ATOM 68 C LYS A 8 14.090 -4.802 2.870 1.00 0.00 C ATOM 69 O LYS A 8 13.259 -4.936 3.767 1.00 0.00 O ATOM 70 CB LYS A 8 16.091 -6.101 3.805 1.00 0.00 C ATOM 71 CG LYS A 8 17.407 -6.537 3.158 1.00 0.00 C ATOM 72 CD LYS A 8 18.593 -5.787 3.769 1.00 0.00 C ATOM 73 CE LYS A 8 19.442 -5.125 2.681 1.00 0.00 C ATOM 74 NZ LYS A 8 20.877 -5.421 2.892 1.00 0.00 N ATOM 0 H LYS A 8 15.711 -3.850 5.060 1.00 0.00 H new ATOM 0 HA LYS A 8 16.116 -4.686 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.234 -5.973 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.341 -6.881 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.544 -7.610 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.368 -6.351 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.230 -5.029 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.208 -6.479 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.131 -5.484 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.281 -4.047 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.439 -4.965 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.174 -5.057 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.028 -6.449 2.859 1.00 0.00 H new ATOM 88 N VAL A 9 13.793 -4.658 1.587 1.00 0.00 N ATOM 89 CA VAL A 9 12.412 -4.648 1.136 1.00 0.00 C ATOM 90 C VAL A 9 12.276 -5.545 -0.096 1.00 0.00 C ATOM 91 O VAL A 9 12.551 -5.115 -1.215 1.00 0.00 O ATOM 92 CB VAL A 9 11.954 -3.211 0.881 1.00 0.00 C ATOM 93 CG1 VAL A 9 10.552 -3.181 0.271 1.00 0.00 C ATOM 94 CG2 VAL A 9 12.011 -2.382 2.166 1.00 0.00 C ATOM 0 H VAL A 9 14.485 -4.547 0.846 1.00 0.00 H new ATOM 0 HA VAL A 9 11.756 -5.052 1.907 1.00 0.00 H new ATOM 0 HB VAL A 9 12.640 -2.764 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.252 -2.147 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.556 -3.719 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.848 -3.655 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.680 -1.364 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.359 -2.829 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.034 -2.361 2.541 1.00 0.00 H new ATOM 104 N SER A 10 11.853 -6.776 0.151 1.00 0.00 N ATOM 105 CA SER A 10 11.678 -7.738 -0.924 1.00 0.00 C ATOM 106 C SER A 10 10.198 -7.838 -1.301 1.00 0.00 C ATOM 107 O SER A 10 9.333 -7.367 -0.564 1.00 0.00 O ATOM 108 CB SER A 10 12.219 -9.112 -0.528 1.00 0.00 C ATOM 109 OG SER A 10 12.983 -9.059 0.674 1.00 0.00 O ATOM 0 H SER A 10 11.626 -7.130 1.080 1.00 0.00 H new ATOM 0 HA SER A 10 12.244 -7.391 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.388 -9.805 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.839 -9.504 -1.335 1.00 0.00 H new ATOM 0 HG SER A 10 13.309 -9.956 0.894 1.00 0.00 H new ATOM 115 N PRO A 11 9.946 -8.472 -2.477 1.00 0.00 N ATOM 116 CA PRO A 11 8.586 -8.640 -2.960 1.00 0.00 C ATOM 117 C PRO A 11 7.857 -9.733 -2.176 1.00 0.00 C ATOM 118 O PRO A 11 8.488 -10.536 -1.491 1.00 0.00 O ATOM 119 CB PRO A 11 8.731 -8.966 -4.438 1.00 0.00 C ATOM 120 CG PRO A 11 10.168 -9.425 -4.625 1.00 0.00 C ATOM 121 CD PRO A 11 10.945 -9.043 -3.376 1.00 0.00 C ATOM 0 HA PRO A 11 7.977 -7.747 -2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.030 -9.746 -4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.517 -8.092 -5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.207 -10.503 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.607 -8.957 -5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.429 -9.912 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.731 -8.323 -3.603 1.00 0.00 H new ATOM 129 N PRO A 12 6.503 -9.727 -2.305 1.00 0.00 N ATOM 130 CA PRO A 12 5.681 -10.707 -1.617 1.00 0.00 C ATOM 131 C PRO A 12 5.775 -12.075 -2.296 1.00 0.00 C ATOM 132 O PRO A 12 6.492 -12.235 -3.282 1.00 0.00 O ATOM 133 CB PRO A 12 4.276 -10.128 -1.639 1.00 0.00 C ATOM 134 CG PRO A 12 4.276 -9.077 -2.736 1.00 0.00 C ATOM 135 CD PRO A 12 5.722 -8.790 -3.107 1.00 0.00 C ATOM 0 HA PRO A 12 6.008 -10.885 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.537 -10.903 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.020 -9.687 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.722 -9.432 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.782 -8.168 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.895 -8.941 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.991 -7.758 -2.884 1.00 0.00 H new ATOM 143 N GLU A 13 5.040 -13.028 -1.741 1.00 0.00 N ATOM 144 CA GLU A 13 5.031 -14.376 -2.280 1.00 0.00 C ATOM 145 C GLU A 13 3.668 -14.691 -2.900 1.00 0.00 C ATOM 146 O GLU A 13 3.046 -15.698 -2.562 1.00 0.00 O ATOM 147 CB GLU A 13 5.393 -15.401 -1.203 1.00 0.00 C ATOM 148 CG GLU A 13 6.810 -15.939 -1.413 1.00 0.00 C ATOM 149 CD GLU A 13 7.111 -17.082 -0.442 1.00 0.00 C ATOM 150 OE1 GLU A 13 6.154 -17.816 -0.114 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.292 -17.196 -0.049 1.00 0.00 O ATOM 0 H GLU A 13 4.446 -12.892 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 13 5.788 -14.438 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.317 -14.941 -0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.680 -16.225 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.922 -16.290 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.533 -15.136 -1.270 1.00 0.00 H new ATOM 158 N ASP A 14 3.243 -13.812 -3.795 1.00 0.00 N ATOM 159 CA ASP A 14 1.965 -13.984 -4.465 1.00 0.00 C ATOM 160 C ASP A 14 1.815 -12.916 -5.550 1.00 0.00 C ATOM 161 O ASP A 14 1.791 -11.722 -5.252 1.00 0.00 O ATOM 162 CB ASP A 14 0.803 -13.826 -3.482 1.00 0.00 C ATOM 163 CG ASP A 14 -0.238 -14.947 -3.526 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.184 -16.118 -3.409 1.00 0.00 O ATOM 165 OD2 ASP A 14 -1.431 -14.608 -3.676 1.00 0.00 O ATOM 0 H ASP A 14 3.761 -12.978 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 14 1.941 -14.986 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.207 -13.765 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.303 -12.878 -3.683 1.00 0.00 H new ATOM 170 N GLU A 15 1.717 -13.382 -6.786 1.00 0.00 N ATOM 171 CA GLU A 15 1.570 -12.482 -7.917 1.00 0.00 C ATOM 172 C GLU A 15 0.360 -11.568 -7.713 1.00 0.00 C ATOM 173 O GLU A 15 0.479 -10.346 -7.798 1.00 0.00 O ATOM 174 CB GLU A 15 1.453 -13.262 -9.227 1.00 0.00 C ATOM 175 CG GLU A 15 2.465 -12.757 -10.258 1.00 0.00 C ATOM 176 CD GLU A 15 2.145 -11.323 -10.684 1.00 0.00 C ATOM 177 OE1 GLU A 15 2.619 -10.403 -9.983 1.00 0.00 O ATOM 178 OE2 GLU A 15 1.432 -11.179 -11.701 1.00 0.00 O ATOM 0 H GLU A 15 1.737 -14.372 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 15 2.464 -11.861 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.619 -14.323 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.443 -13.163 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.470 -12.800 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.457 -13.410 -11.131 1.00 0.00 H new ATOM 185 N GLU A 16 -0.777 -12.194 -7.448 1.00 0.00 N ATOM 186 CA GLU A 16 -2.007 -11.452 -7.232 1.00 0.00 C ATOM 187 C GLU A 16 -1.752 -10.259 -6.309 1.00 0.00 C ATOM 188 O GLU A 16 -2.390 -9.216 -6.446 1.00 0.00 O ATOM 189 CB GLU A 16 -3.102 -12.359 -6.666 1.00 0.00 C ATOM 190 CG GLU A 16 -3.607 -13.338 -7.728 1.00 0.00 C ATOM 191 CD GLU A 16 -5.115 -13.563 -7.594 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.829 -12.548 -7.443 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.519 -14.744 -7.646 1.00 0.00 O ATOM 0 H GLU A 16 -0.872 -13.207 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.354 -11.075 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.714 -12.913 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.931 -11.751 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.380 -12.951 -8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.084 -14.289 -7.629 1.00 0.00 H new ATOM 200 N ALA A 17 -0.819 -10.452 -5.389 1.00 0.00 N ATOM 201 CA ALA A 17 -0.472 -9.405 -4.443 1.00 0.00 C ATOM 202 C ALA A 17 0.429 -8.379 -5.134 1.00 0.00 C ATOM 203 O ALA A 17 0.088 -7.200 -5.210 1.00 0.00 O ATOM 204 CB ALA A 17 0.190 -10.027 -3.212 1.00 0.00 C ATOM 0 H ALA A 17 -0.292 -11.318 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.366 -8.883 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.450 -9.241 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.501 -10.726 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.093 -10.557 -3.514 1.00 0.00 H new ATOM 210 N LYS A 18 1.562 -8.865 -5.619 1.00 0.00 N ATOM 211 CA LYS A 18 2.514 -8.005 -6.300 1.00 0.00 C ATOM 212 C LYS A 18 1.758 -7.018 -7.191 1.00 0.00 C ATOM 213 O LYS A 18 2.222 -5.903 -7.423 1.00 0.00 O ATOM 214 CB LYS A 18 3.551 -8.843 -7.052 1.00 0.00 C ATOM 215 CG LYS A 18 4.961 -8.289 -6.841 1.00 0.00 C ATOM 216 CD LYS A 18 6.019 -9.293 -7.303 1.00 0.00 C ATOM 217 CE LYS A 18 6.511 -8.961 -8.713 1.00 0.00 C ATOM 218 NZ LYS A 18 5.628 -9.576 -9.729 1.00 0.00 N ATOM 0 H LYS A 18 1.842 -9.844 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 18 3.078 -7.415 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.507 -9.876 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.315 -8.851 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.075 -7.356 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.110 -8.057 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.860 -9.286 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.602 -10.300 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.536 -7.880 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.531 -9.322 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.122 -10.370 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.761 -9.924 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.379 -8.867 -10.448 1.00 0.00 H new ATOM 232 N ASN A 19 0.604 -7.465 -7.667 1.00 0.00 N ATOM 233 CA ASN A 19 -0.222 -6.635 -8.527 1.00 0.00 C ATOM 234 C ASN A 19 -1.134 -5.761 -7.664 1.00 0.00 C ATOM 235 O ASN A 19 -1.174 -4.543 -7.833 1.00 0.00 O ATOM 236 CB ASN A 19 -1.107 -7.492 -9.434 1.00 0.00 C ATOM 237 CG ASN A 19 -1.064 -6.989 -10.878 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.667 -5.870 -11.161 1.00 0.00 O ATOM 239 ND2 ASN A 19 -1.493 -7.874 -11.772 1.00 0.00 N ATOM 0 H ASN A 19 0.222 -8.391 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 19 0.439 -6.024 -9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.775 -8.529 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.134 -7.473 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.503 -7.634 -12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.812 -8.794 -11.467 1.00 0.00 H new ATOM 246 N LEU A 20 -1.843 -6.417 -6.757 1.00 0.00 N ATOM 247 CA LEU A 20 -2.752 -5.716 -5.867 1.00 0.00 C ATOM 248 C LEU A 20 -2.005 -4.570 -5.182 1.00 0.00 C ATOM 249 O LEU A 20 -2.463 -3.428 -5.198 1.00 0.00 O ATOM 250 CB LEU A 20 -3.407 -6.694 -4.890 1.00 0.00 C ATOM 251 CG LEU A 20 -4.670 -7.398 -5.391 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.346 -8.180 -4.263 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.626 -6.404 -6.053 1.00 0.00 C ATOM 0 H LEU A 20 -1.806 -7.427 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.571 -5.271 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.674 -7.454 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.655 -6.153 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.379 -8.120 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.241 -8.671 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.657 -8.931 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.623 -7.496 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.515 -6.930 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.915 -5.641 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.130 -5.932 -6.901 1.00 0.00 H new ATOM 265 N ALA A 21 -0.868 -4.914 -4.596 1.00 0.00 N ATOM 266 CA ALA A 21 -0.053 -3.928 -3.907 1.00 0.00 C ATOM 267 C ALA A 21 0.165 -2.722 -4.822 1.00 0.00 C ATOM 268 O ALA A 21 -0.321 -1.628 -4.540 1.00 0.00 O ATOM 269 CB ALA A 21 1.264 -4.572 -3.467 1.00 0.00 C ATOM 0 H ALA A 21 -0.492 -5.862 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.559 -3.572 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.876 -3.833 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.055 -5.404 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.800 -4.938 -4.342 1.00 0.00 H new ATOM 275 N GLU A 22 0.895 -2.963 -5.901 1.00 0.00 N ATOM 276 CA GLU A 22 1.183 -1.910 -6.860 1.00 0.00 C ATOM 277 C GLU A 22 -0.092 -1.132 -7.193 1.00 0.00 C ATOM 278 O GLU A 22 -0.147 0.083 -7.013 1.00 0.00 O ATOM 279 CB GLU A 22 1.823 -2.481 -8.127 1.00 0.00 C ATOM 280 CG GLU A 22 3.055 -1.669 -8.533 1.00 0.00 C ATOM 281 CD GLU A 22 2.906 -1.120 -9.953 1.00 0.00 C ATOM 282 OE1 GLU A 22 1.876 -0.456 -10.199 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.825 -1.377 -10.760 1.00 0.00 O ATOM 0 H GLU A 22 1.296 -3.872 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 22 1.899 -1.222 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.107 -3.520 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.096 -2.477 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.199 -0.845 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.944 -2.296 -8.473 1.00 0.00 H new ATOM 290 N LYS A 23 -1.086 -1.865 -7.673 1.00 0.00 N ATOM 291 CA LYS A 23 -2.357 -1.260 -8.033 1.00 0.00 C ATOM 292 C LYS A 23 -2.855 -0.401 -6.869 1.00 0.00 C ATOM 293 O LYS A 23 -2.860 0.826 -6.956 1.00 0.00 O ATOM 294 CB LYS A 23 -3.354 -2.332 -8.477 1.00 0.00 C ATOM 295 CG LYS A 23 -4.121 -1.884 -9.723 1.00 0.00 C ATOM 296 CD LYS A 23 -5.607 -1.690 -9.412 1.00 0.00 C ATOM 297 CE LYS A 23 -5.817 -0.522 -8.446 1.00 0.00 C ATOM 298 NZ LYS A 23 -7.181 0.032 -8.592 1.00 0.00 N ATOM 0 H LYS A 23 -1.037 -2.873 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.235 -0.597 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.825 -3.262 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.055 -2.539 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.700 -0.951 -10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.005 -2.627 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.155 -1.505 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.014 -2.603 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.662 -0.858 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.079 0.256 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.307 0.824 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.316 0.371 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.881 -0.709 -8.383 1.00 0.00 H new ATOM 312 N LEU A 24 -3.263 -1.080 -5.807 1.00 0.00 N ATOM 313 CA LEU A 24 -3.762 -0.394 -4.627 1.00 0.00 C ATOM 314 C LEU A 24 -2.902 0.843 -4.359 1.00 0.00 C ATOM 315 O LEU A 24 -3.416 1.885 -3.956 1.00 0.00 O ATOM 316 CB LEU A 24 -3.840 -1.357 -3.441 1.00 0.00 C ATOM 317 CG LEU A 24 -5.063 -1.206 -2.534 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.963 0.063 -1.684 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.358 -1.249 -3.348 1.00 0.00 C ATOM 0 H LEU A 24 -3.258 -2.098 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.781 -0.044 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.821 -2.377 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.944 -1.228 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.085 -2.052 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.845 0.146 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.070 0.014 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.903 0.934 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.212 -1.140 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.359 -0.436 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.427 -2.202 -3.872 1.00 0.00 H new ATOM 331 N ALA A 25 -1.608 0.687 -4.594 1.00 0.00 N ATOM 332 CA ALA A 25 -0.672 1.778 -4.384 1.00 0.00 C ATOM 333 C ALA A 25 -0.947 2.885 -5.404 1.00 0.00 C ATOM 334 O ALA A 25 -1.435 3.956 -5.046 1.00 0.00 O ATOM 335 CB ALA A 25 0.760 1.247 -4.472 1.00 0.00 C ATOM 0 H ALA A 25 -1.185 -0.179 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.800 2.207 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.462 2.066 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.913 0.485 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.926 0.811 -5.457 1.00 0.00 H new ATOM 341 N ARG A 26 -0.623 2.588 -6.654 1.00 0.00 N ATOM 342 CA ARG A 26 -0.829 3.544 -7.728 1.00 0.00 C ATOM 343 C ARG A 26 -2.239 4.133 -7.650 1.00 0.00 C ATOM 344 O ARG A 26 -2.461 5.277 -8.044 1.00 0.00 O ATOM 345 CB ARG A 26 -0.633 2.887 -9.095 1.00 0.00 C ATOM 346 CG ARG A 26 -1.956 2.343 -9.637 1.00 0.00 C ATOM 347 CD ARG A 26 -2.770 3.450 -10.309 1.00 0.00 C ATOM 348 NE ARG A 26 -3.178 3.026 -11.667 1.00 0.00 N ATOM 349 CZ ARG A 26 -2.351 2.980 -12.720 1.00 0.00 C ATOM 350 NH1 ARG A 26 -1.066 3.331 -12.578 1.00 0.00 N ATOM 351 NH2 ARG A 26 -2.808 2.582 -13.915 1.00 0.00 N ATOM 0 H ARG A 26 -0.219 1.698 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.092 4.339 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.220 3.613 -9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.091 2.076 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.759 1.546 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.534 1.905 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.652 3.679 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.178 4.364 -10.367 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.150 2.752 -11.810 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.717 3.633 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.436 3.296 -13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.786 2.314 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.178 2.547 -14.716 1.00 0.00 H new ATOM 365 N PHE A 27 -3.157 3.324 -7.140 1.00 0.00 N ATOM 366 CA PHE A 27 -4.539 3.751 -7.006 1.00 0.00 C ATOM 367 C PHE A 27 -4.687 4.791 -5.894 1.00 0.00 C ATOM 368 O PHE A 27 -5.105 5.920 -6.146 1.00 0.00 O ATOM 369 CB PHE A 27 -5.356 2.510 -6.640 1.00 0.00 C ATOM 370 CG PHE A 27 -6.750 2.823 -6.092 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.614 3.580 -6.821 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.126 2.344 -4.875 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.907 3.870 -6.312 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.419 2.635 -4.367 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.283 3.391 -5.096 1.00 0.00 C ATOM 0 H PHE A 27 -2.970 2.375 -6.815 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.881 4.204 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.457 1.880 -7.524 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.806 1.931 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.316 3.960 -7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.441 1.743 -4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.592 4.471 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.717 2.256 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.267 3.611 -4.709 1.00 0.00 H new ATOM 385 N ILE A 28 -4.335 4.373 -4.687 1.00 0.00 N ATOM 386 CA ILE A 28 -4.423 5.255 -3.535 1.00 0.00 C ATOM 387 C ILE A 28 -3.593 6.513 -3.796 1.00 0.00 C ATOM 388 O ILE A 28 -4.033 7.623 -3.502 1.00 0.00 O ATOM 389 CB ILE A 28 -4.025 4.510 -2.259 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.115 3.522 -1.838 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.677 5.491 -1.137 1.00 0.00 C ATOM 392 CD1 ILE A 28 -4.666 2.688 -0.637 1.00 0.00 C ATOM 0 H ILE A 28 -3.988 3.436 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.452 5.578 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.127 3.929 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.026 4.065 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.356 2.864 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.398 4.936 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.843 6.120 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.542 6.118 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.459 1.994 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.769 2.127 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.449 3.348 0.203 1.00 0.00 H new ATOM 404 N ALA A 29 -2.406 6.297 -4.345 1.00 0.00 N ATOM 405 CA ALA A 29 -1.511 7.400 -4.650 1.00 0.00 C ATOM 406 C ALA A 29 -2.199 8.356 -5.626 1.00 0.00 C ATOM 407 O ALA A 29 -1.860 9.537 -5.688 1.00 0.00 O ATOM 408 CB ALA A 29 -0.194 6.851 -5.201 1.00 0.00 C ATOM 0 H ALA A 29 -2.044 5.375 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.277 7.965 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.478 7.678 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.269 6.203 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.389 6.280 -6.109 1.00 0.00 H new ATOM 414 N ASP A 30 -3.153 7.809 -6.366 1.00 0.00 N ATOM 415 CA ASP A 30 -3.892 8.598 -7.337 1.00 0.00 C ATOM 416 C ASP A 30 -4.964 9.415 -6.614 1.00 0.00 C ATOM 417 O ASP A 30 -5.511 10.363 -7.175 1.00 0.00 O ATOM 418 CB ASP A 30 -4.590 7.700 -8.360 1.00 0.00 C ATOM 419 CG ASP A 30 -4.400 8.114 -9.820 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.320 7.798 -10.364 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.340 8.737 -10.360 1.00 0.00 O ATOM 0 H ASP A 30 -3.431 6.829 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.185 9.248 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.223 6.681 -8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.657 7.684 -8.139 1.00 0.00 H new ATOM 426 N GLY A 31 -5.233 9.017 -5.379 1.00 0.00 N ATOM 427 CA GLY A 31 -6.231 9.700 -4.573 1.00 0.00 C ATOM 428 C GLY A 31 -5.570 10.543 -3.481 1.00 0.00 C ATOM 429 O GLY A 31 -4.792 11.449 -3.776 1.00 0.00 O ATOM 0 H GLY A 31 -4.777 8.230 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.843 10.339 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.899 8.969 -4.118 1.00 0.00 H new ATOM 433 N GLY A 32 -5.904 10.215 -2.241 1.00 0.00 N ATOM 434 CA GLY A 32 -5.353 10.931 -1.103 1.00 0.00 C ATOM 435 C GLY A 32 -5.854 10.335 0.214 1.00 0.00 C ATOM 436 O GLY A 32 -5.917 9.116 0.364 1.00 0.00 O ATOM 0 H GLY A 32 -6.549 9.463 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.264 10.889 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.633 11.983 -1.160 1.00 0.00 H new ATOM 440 N PRO A 33 -6.206 11.247 1.160 1.00 0.00 N ATOM 441 CA PRO A 33 -6.700 10.825 2.459 1.00 0.00 C ATOM 442 C PRO A 33 -8.140 10.318 2.361 1.00 0.00 C ATOM 443 O PRO A 33 -8.717 9.879 3.355 1.00 0.00 O ATOM 444 CB PRO A 33 -6.560 12.048 3.350 1.00 0.00 C ATOM 445 CG PRO A 33 -6.432 13.236 2.409 1.00 0.00 C ATOM 446 CD PRO A 33 -6.145 12.699 1.017 1.00 0.00 C ATOM 0 HA PRO A 33 -6.140 9.984 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.427 12.158 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.685 11.964 3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.350 13.824 2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.630 13.897 2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.879 13.057 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.166 13.021 0.662 1.00 0.00 H new ATOM 454 N GLU A 34 -8.680 10.396 1.153 1.00 0.00 N ATOM 455 CA GLU A 34 -10.042 9.951 0.912 1.00 0.00 C ATOM 456 C GLU A 34 -10.046 8.509 0.399 1.00 0.00 C ATOM 457 O GLU A 34 -10.818 7.679 0.876 1.00 0.00 O ATOM 458 CB GLU A 34 -10.758 10.883 -0.067 1.00 0.00 C ATOM 459 CG GLU A 34 -12.207 11.122 0.364 1.00 0.00 C ATOM 460 CD GLU A 34 -12.603 12.587 0.166 1.00 0.00 C ATOM 461 OE1 GLU A 34 -12.338 13.377 1.098 1.00 0.00 O ATOM 462 OE2 GLU A 34 -13.162 12.883 -0.912 1.00 0.00 O ATOM 0 H GLU A 34 -8.199 10.761 0.331 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.586 9.982 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.229 11.835 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.739 10.450 -1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.873 10.480 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.329 10.847 1.412 1.00 0.00 H new ATOM 469 N VAL A 35 -9.175 8.256 -0.566 1.00 0.00 N ATOM 470 CA VAL A 35 -9.069 6.929 -1.149 1.00 0.00 C ATOM 471 C VAL A 35 -8.561 5.950 -0.089 1.00 0.00 C ATOM 472 O VAL A 35 -9.043 4.822 0.001 1.00 0.00 O ATOM 473 CB VAL A 35 -8.181 6.974 -2.395 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.700 7.019 -2.011 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.473 5.791 -3.319 1.00 0.00 C ATOM 0 H VAL A 35 -8.536 8.947 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.047 6.576 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.413 7.889 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.091 7.050 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.506 7.909 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.447 6.130 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.829 5.847 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.282 4.859 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.516 5.823 -3.632 1.00 0.00 H new ATOM 485 N GLU A 36 -7.595 6.418 0.689 1.00 0.00 N ATOM 486 CA GLU A 36 -7.018 5.597 1.739 1.00 0.00 C ATOM 487 C GLU A 36 -8.100 5.162 2.729 1.00 0.00 C ATOM 488 O GLU A 36 -7.885 4.256 3.532 1.00 0.00 O ATOM 489 CB GLU A 36 -5.887 6.339 2.455 1.00 0.00 C ATOM 490 CG GLU A 36 -6.425 7.153 3.633 1.00 0.00 C ATOM 491 CD GLU A 36 -5.299 7.922 4.328 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.629 8.708 3.624 1.00 0.00 O ATOM 493 OE2 GLU A 36 -5.133 7.705 5.548 1.00 0.00 O ATOM 0 H GLU A 36 -7.198 7.355 0.613 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.592 4.704 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.146 5.623 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.380 7.000 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.184 7.852 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.911 6.488 4.347 1.00 0.00 H new ATOM 500 N THR A 37 -9.242 5.829 2.639 1.00 0.00 N ATOM 501 CA THR A 37 -10.358 5.523 3.517 1.00 0.00 C ATOM 502 C THR A 37 -11.289 4.502 2.859 1.00 0.00 C ATOM 503 O THR A 37 -11.472 3.400 3.376 1.00 0.00 O ATOM 504 CB THR A 37 -11.055 6.838 3.873 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.089 7.543 4.648 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.229 6.638 4.833 1.00 0.00 C ATOM 0 H THR A 37 -9.418 6.580 1.971 1.00 0.00 H new ATOM 0 HA THR A 37 -10.017 5.058 4.442 1.00 0.00 H new ATOM 0 HB THR A 37 -11.410 7.319 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.727 8.286 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.688 7.602 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.967 5.981 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.870 6.188 5.758 1.00 0.00 H new ATOM 514 N ILE A 38 -11.852 4.903 1.729 1.00 0.00 N ATOM 515 CA ILE A 38 -12.759 4.037 0.996 1.00 0.00 C ATOM 516 C ILE A 38 -12.005 2.786 0.541 1.00 0.00 C ATOM 517 O ILE A 38 -12.533 1.677 0.615 1.00 0.00 O ATOM 518 CB ILE A 38 -13.425 4.804 -0.148 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.519 5.735 0.380 1.00 0.00 C ATOM 520 CG2 ILE A 38 -13.955 3.845 -1.216 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.945 7.107 0.739 1.00 0.00 C ATOM 0 H ILE A 38 -11.697 5.817 1.303 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.572 3.703 1.641 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.671 5.431 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.299 5.849 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.986 5.291 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.424 4.416 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.130 3.260 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.690 3.175 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.743 7.749 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -13.182 6.992 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.500 7.559 -0.148 1.00 0.00 H new ATOM 533 N ALA A 39 -10.783 3.005 0.079 1.00 0.00 N ATOM 534 CA ALA A 39 -9.951 1.909 -0.389 1.00 0.00 C ATOM 535 C ALA A 39 -9.702 0.936 0.765 1.00 0.00 C ATOM 536 O ALA A 39 -9.817 -0.277 0.595 1.00 0.00 O ATOM 537 CB ALA A 39 -8.652 2.467 -0.972 1.00 0.00 C ATOM 0 H ALA A 39 -10.348 3.926 0.019 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.454 1.357 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.028 1.645 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.883 3.129 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.118 3.025 -0.203 1.00 0.00 H new ATOM 543 N LEU A 40 -9.364 1.504 1.914 1.00 0.00 N ATOM 544 CA LEU A 40 -9.098 0.701 3.095 1.00 0.00 C ATOM 545 C LEU A 40 -10.410 0.105 3.609 1.00 0.00 C ATOM 546 O LEU A 40 -10.578 -1.113 3.626 1.00 0.00 O ATOM 547 CB LEU A 40 -8.344 1.524 4.143 1.00 0.00 C ATOM 548 CG LEU A 40 -6.886 1.852 3.816 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.259 2.713 4.914 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.082 0.576 3.558 1.00 0.00 C ATOM 0 H LEU A 40 -9.268 2.510 2.052 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.444 -0.135 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.881 2.460 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.371 0.983 5.089 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.865 2.437 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.223 2.932 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.815 3.646 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.292 2.175 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.049 0.837 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.107 -0.056 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.516 0.036 2.716 1.00 0.00 H new ATOM 562 N GLN A 41 -11.307 0.992 4.014 1.00 0.00 N ATOM 563 CA GLN A 41 -12.599 0.569 4.526 1.00 0.00 C ATOM 564 C GLN A 41 -13.172 -0.554 3.660 1.00 0.00 C ATOM 565 O GLN A 41 -13.950 -1.378 4.139 1.00 0.00 O ATOM 566 CB GLN A 41 -13.570 1.749 4.607 1.00 0.00 C ATOM 567 CG GLN A 41 -14.566 1.562 5.753 1.00 0.00 C ATOM 568 CD GLN A 41 -15.714 2.568 5.651 1.00 0.00 C ATOM 569 OE1 GLN A 41 -16.218 2.868 4.582 1.00 0.00 O ATOM 570 NE2 GLN A 41 -16.098 3.071 6.821 1.00 0.00 N ATOM 0 H GLN A 41 -11.164 2.002 3.998 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.459 0.186 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.012 2.674 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.109 1.847 3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.964 0.547 5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.054 1.684 6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.633 2.777 7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.857 3.751 6.859 1.00 0.00 H new ATOM 579 N ASN A 42 -12.765 -0.551 2.399 1.00 0.00 N ATOM 580 CA ASN A 42 -13.228 -1.559 1.461 1.00 0.00 C ATOM 581 C ASN A 42 -12.400 -2.833 1.637 1.00 0.00 C ATOM 582 O ASN A 42 -12.942 -3.893 1.946 1.00 0.00 O ATOM 583 CB ASN A 42 -13.063 -1.085 0.016 1.00 0.00 C ATOM 584 CG ASN A 42 -14.337 -0.400 -0.486 1.00 0.00 C ATOM 585 OD1 ASN A 42 -14.884 0.489 0.145 1.00 0.00 O ATOM 586 ND2 ASN A 42 -14.776 -0.864 -1.652 1.00 0.00 N ATOM 0 H ASN A 42 -12.120 0.134 2.005 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.283 -1.745 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.224 -0.393 -0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.826 -1.935 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.620 -0.473 -2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.269 -1.611 -2.127 1.00 0.00 H new ATOM 593 N ASN A 43 -11.099 -2.687 1.434 1.00 0.00 N ATOM 594 CA ASN A 43 -10.189 -3.813 1.567 1.00 0.00 C ATOM 595 C ASN A 43 -10.547 -4.606 2.826 1.00 0.00 C ATOM 596 O ASN A 43 -10.365 -5.821 2.871 1.00 0.00 O ATOM 597 CB ASN A 43 -8.741 -3.338 1.702 1.00 0.00 C ATOM 598 CG ASN A 43 -8.226 -2.765 0.380 1.00 0.00 C ATOM 599 OD1 ASN A 43 -8.448 -3.307 -0.690 1.00 0.00 O ATOM 600 ND2 ASN A 43 -7.529 -1.640 0.514 1.00 0.00 N ATOM 0 H ASN A 43 -10.653 -1.806 1.178 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.283 -4.431 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.675 -2.579 2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.109 -4.170 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.143 -1.178 -0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.380 -1.239 1.440 1.00 0.00 H new ATOM 607 N ARG A 44 -11.049 -3.885 3.817 1.00 0.00 N ATOM 608 CA ARG A 44 -11.434 -4.505 5.074 1.00 0.00 C ATOM 609 C ARG A 44 -12.237 -5.781 4.811 1.00 0.00 C ATOM 610 O ARG A 44 -11.970 -6.821 5.412 1.00 0.00 O ATOM 611 CB ARG A 44 -12.271 -3.550 5.926 1.00 0.00 C ATOM 612 CG ARG A 44 -11.465 -3.028 7.117 1.00 0.00 C ATOM 613 CD ARG A 44 -12.289 -3.086 8.405 1.00 0.00 C ATOM 614 NE ARG A 44 -12.213 -1.789 9.113 1.00 0.00 N ATOM 615 CZ ARG A 44 -12.889 -1.504 10.235 1.00 0.00 C ATOM 616 NH1 ARG A 44 -13.695 -2.424 10.783 1.00 0.00 N ATOM 617 NH2 ARG A 44 -12.758 -0.301 10.809 1.00 0.00 N ATOM 0 H ARG A 44 -11.198 -2.877 3.775 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.521 -4.751 5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.608 -2.712 5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.164 -4.063 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.558 -3.621 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.152 -2.001 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.327 -3.322 8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.917 -3.883 9.049 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.608 -1.066 8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.794 -3.341 10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.210 -2.208 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.144 0.399 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.273 -0.085 11.663 1.00 0.00 H new ATOM 631 N GLU A 45 -13.204 -5.660 3.914 1.00 0.00 N ATOM 632 CA GLU A 45 -14.047 -6.790 3.565 1.00 0.00 C ATOM 633 C GLU A 45 -13.250 -7.818 2.759 1.00 0.00 C ATOM 634 O GLU A 45 -13.368 -9.020 2.992 1.00 0.00 O ATOM 635 CB GLU A 45 -15.287 -6.332 2.795 1.00 0.00 C ATOM 636 CG GLU A 45 -16.417 -5.950 3.753 1.00 0.00 C ATOM 637 CD GLU A 45 -17.525 -5.191 3.019 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.210 -5.840 2.199 1.00 0.00 O ATOM 639 OE2 GLU A 45 -17.662 -3.980 3.295 1.00 0.00 O ATOM 0 H GLU A 45 -13.423 -4.796 3.418 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.386 -7.263 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.034 -5.478 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.622 -7.129 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.829 -6.849 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.022 -5.333 4.560 1.00 0.00 H new ATOM 646 N ASN A 46 -12.457 -7.308 1.829 1.00 0.00 N ATOM 647 CA ASN A 46 -11.641 -8.166 0.988 1.00 0.00 C ATOM 648 C ASN A 46 -10.570 -8.844 1.845 1.00 0.00 C ATOM 649 O ASN A 46 -10.014 -8.227 2.752 1.00 0.00 O ATOM 650 CB ASN A 46 -10.933 -7.358 -0.102 1.00 0.00 C ATOM 651 CG ASN A 46 -11.913 -6.946 -1.202 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.139 -7.657 -2.167 1.00 0.00 O ATOM 653 ND2 ASN A 46 -12.480 -5.759 -1.004 1.00 0.00 N ATOM 0 H ASN A 46 -12.362 -6.310 1.639 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.296 -8.903 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.478 -6.470 0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.126 -7.950 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.149 -5.394 -1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.246 -5.214 -0.174 1.00 0.00 H new ATOM 660 N GLN A 47 -10.312 -10.104 1.526 1.00 0.00 N ATOM 661 CA GLN A 47 -9.318 -10.872 2.256 1.00 0.00 C ATOM 662 C GLN A 47 -7.961 -10.787 1.553 1.00 0.00 C ATOM 663 O GLN A 47 -6.947 -10.502 2.187 1.00 0.00 O ATOM 664 CB GLN A 47 -9.761 -12.327 2.419 1.00 0.00 C ATOM 665 CG GLN A 47 -9.869 -12.705 3.898 1.00 0.00 C ATOM 666 CD GLN A 47 -10.071 -14.212 4.066 1.00 0.00 C ATOM 667 OE1 GLN A 47 -9.199 -15.016 3.781 1.00 0.00 O ATOM 668 NE2 GLN A 47 -11.266 -14.548 4.543 1.00 0.00 N ATOM 0 H GLN A 47 -10.774 -10.612 0.772 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.216 -10.444 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.724 -12.474 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.048 -12.986 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.966 -12.395 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.702 -12.170 4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.950 -13.824 4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.498 -15.530 4.691 1.00 0.00 H new ATOM 677 N ALA A 48 -7.988 -11.040 0.253 1.00 0.00 N ATOM 678 CA ALA A 48 -6.773 -10.996 -0.543 1.00 0.00 C ATOM 679 C ALA A 48 -5.938 -9.783 -0.125 1.00 0.00 C ATOM 680 O ALA A 48 -4.714 -9.868 -0.036 1.00 0.00 O ATOM 681 CB ALA A 48 -7.136 -10.969 -2.029 1.00 0.00 C ATOM 0 H ALA A 48 -8.832 -11.276 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.170 -11.887 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.224 -10.936 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.703 -11.865 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.740 -10.086 -2.240 1.00 0.00 H new ATOM 687 N PHE A 49 -6.634 -8.683 0.121 1.00 0.00 N ATOM 688 CA PHE A 49 -5.972 -7.454 0.528 1.00 0.00 C ATOM 689 C PHE A 49 -5.540 -7.524 1.994 1.00 0.00 C ATOM 690 O PHE A 49 -5.899 -6.660 2.792 1.00 0.00 O ATOM 691 CB PHE A 49 -6.988 -6.323 0.361 1.00 0.00 C ATOM 692 CG PHE A 49 -7.080 -5.774 -1.064 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.000 -5.176 -1.633 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.243 -5.884 -1.762 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.085 -4.666 -2.956 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.328 -5.375 -3.084 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.247 -4.777 -3.654 1.00 0.00 C ATOM 0 H PHE A 49 -7.649 -8.616 0.047 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.080 -7.293 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.971 -6.684 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.725 -5.509 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.077 -5.089 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.101 -6.359 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.227 -4.190 -3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.251 -5.462 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.312 -4.391 -4.660 1.00 0.00 H new ATOM 707 N SER A 50 -4.776 -8.561 2.304 1.00 0.00 N ATOM 708 CA SER A 50 -4.291 -8.755 3.660 1.00 0.00 C ATOM 709 C SER A 50 -2.873 -8.196 3.793 1.00 0.00 C ATOM 710 O SER A 50 -2.392 -7.973 4.903 1.00 0.00 O ATOM 711 CB SER A 50 -4.318 -10.234 4.048 1.00 0.00 C ATOM 712 OG SER A 50 -3.764 -11.064 3.030 1.00 0.00 O ATOM 0 H SER A 50 -4.481 -9.276 1.639 1.00 0.00 H new ATOM 0 HA SER A 50 -4.952 -8.217 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.761 -10.376 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.346 -10.538 4.244 1.00 0.00 H new ATOM 0 HG SER A 50 -3.798 -12.000 3.317 1.00 0.00 H new ATOM 718 N PHE A 51 -2.243 -7.987 2.646 1.00 0.00 N ATOM 719 CA PHE A 51 -0.890 -7.460 2.621 1.00 0.00 C ATOM 720 C PHE A 51 -0.863 -5.999 3.075 1.00 0.00 C ATOM 721 O PHE A 51 0.208 -5.413 3.229 1.00 0.00 O ATOM 722 CB PHE A 51 -0.405 -7.540 1.172 1.00 0.00 C ATOM 723 CG PHE A 51 -1.115 -6.572 0.224 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.693 -5.283 0.127 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.169 -7.000 -0.522 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.352 -4.384 -0.753 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.828 -6.101 -1.402 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.405 -4.812 -1.499 1.00 0.00 C ATOM 0 H PHE A 51 -2.645 -8.173 1.727 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.254 -8.034 3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.666 -7.338 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.546 -8.558 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.144 -4.943 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.505 -8.024 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.017 -3.360 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.665 -6.441 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.906 -4.128 -2.169 1.00 0.00 H new ATOM 738 N LEU A 52 -2.053 -5.453 3.277 1.00 0.00 N ATOM 739 CA LEU A 52 -2.179 -4.072 3.710 1.00 0.00 C ATOM 740 C LEU A 52 -2.135 -4.015 5.239 1.00 0.00 C ATOM 741 O LEU A 52 -1.625 -3.055 5.814 1.00 0.00 O ATOM 742 CB LEU A 52 -3.431 -3.433 3.107 1.00 0.00 C ATOM 743 CG LEU A 52 -3.416 -3.228 1.591 1.00 0.00 C ATOM 744 CD1 LEU A 52 -4.789 -3.520 0.984 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.917 -1.827 1.232 1.00 0.00 C ATOM 0 H LEU A 52 -2.939 -5.942 3.149 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.340 -3.480 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.290 -4.054 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.586 -2.465 3.583 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.715 -3.941 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.750 -3.366 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.067 -4.553 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.529 -2.849 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.916 -1.708 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.574 -1.081 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.904 -1.693 1.613 1.00 0.00 H new ATOM 757 N TYR A 53 -2.677 -5.056 5.853 1.00 0.00 N ATOM 758 CA TYR A 53 -2.707 -5.137 7.304 1.00 0.00 C ATOM 759 C TYR A 53 -1.462 -5.847 7.838 1.00 0.00 C ATOM 760 O TYR A 53 -0.688 -5.264 8.596 1.00 0.00 O ATOM 761 CB TYR A 53 -3.943 -5.968 7.655 1.00 0.00 C ATOM 762 CG TYR A 53 -5.158 -5.680 6.770 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.556 -4.377 6.547 1.00 0.00 C ATOM 764 CD2 TYR A 53 -5.856 -6.723 6.196 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.699 -4.106 5.715 1.00 0.00 C ATOM 766 CE2 TYR A 53 -6.999 -6.452 5.363 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.364 -5.157 5.164 1.00 0.00 C ATOM 768 OH TYR A 53 -8.444 -4.901 4.378 1.00 0.00 O ATOM 0 H TYR A 53 -3.099 -5.851 5.373 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.735 -4.140 7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.691 -7.026 7.576 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.211 -5.781 8.695 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.010 -3.561 6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.545 -7.742 6.371 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.021 -3.091 5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.554 -7.259 4.907 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.751 -5.734 3.963 1.00 0.00 H new ATOM 778 N ASP A 54 -1.307 -7.096 7.423 1.00 0.00 N ATOM 779 CA ASP A 54 -0.169 -7.891 7.851 1.00 0.00 C ATOM 780 C ASP A 54 1.123 -7.215 7.389 1.00 0.00 C ATOM 781 O ASP A 54 1.409 -7.165 6.193 1.00 0.00 O ATOM 782 CB ASP A 54 -0.215 -9.292 7.238 1.00 0.00 C ATOM 783 CG ASP A 54 -1.477 -10.096 7.556 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.472 -10.768 8.610 1.00 0.00 O ATOM 785 OD2 ASP A 54 -2.419 -10.020 6.737 1.00 0.00 O ATOM 0 H ASP A 54 -1.951 -7.577 6.795 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.203 -7.971 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.123 -9.202 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.652 -9.853 7.586 1.00 0.00 H new ATOM 790 N PRO A 55 1.890 -6.698 8.386 1.00 0.00 N ATOM 791 CA PRO A 55 3.145 -6.027 8.093 1.00 0.00 C ATOM 792 C PRO A 55 4.236 -7.037 7.731 1.00 0.00 C ATOM 793 O PRO A 55 4.985 -6.833 6.777 1.00 0.00 O ATOM 794 CB PRO A 55 3.467 -5.230 9.347 1.00 0.00 C ATOM 795 CG PRO A 55 2.630 -5.845 10.458 1.00 0.00 C ATOM 796 CD PRO A 55 1.584 -6.739 9.813 1.00 0.00 C ATOM 0 HA PRO A 55 3.078 -5.371 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.530 -5.285 9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.224 -4.176 9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.260 -6.422 11.136 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.152 -5.066 11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.639 -7.756 10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.576 -6.376 10.012 1.00 0.00 H new ATOM 804 N ASN A 56 4.291 -8.106 8.512 1.00 0.00 N ATOM 805 CA ASN A 56 5.277 -9.149 8.286 1.00 0.00 C ATOM 806 C ASN A 56 5.274 -9.535 6.806 1.00 0.00 C ATOM 807 O ASN A 56 6.302 -9.938 6.264 1.00 0.00 O ATOM 808 CB ASN A 56 4.951 -10.401 9.102 1.00 0.00 C ATOM 809 CG ASN A 56 5.853 -10.503 10.334 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.197 -9.518 10.967 1.00 0.00 O ATOM 811 ND2 ASN A 56 6.216 -11.746 10.638 1.00 0.00 N ATOM 0 H ASN A 56 3.668 -8.272 9.303 1.00 0.00 H new ATOM 0 HA ASN A 56 6.251 -8.764 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.907 -10.375 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.077 -11.288 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.818 -11.919 11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.892 -12.526 10.066 1.00 0.00 H new ATOM 818 N SER A 57 4.107 -9.398 6.194 1.00 0.00 N ATOM 819 CA SER A 57 3.957 -9.728 4.786 1.00 0.00 C ATOM 820 C SER A 57 4.676 -8.687 3.926 1.00 0.00 C ATOM 821 O SER A 57 4.215 -7.554 3.800 1.00 0.00 O ATOM 822 CB SER A 57 2.480 -9.811 4.395 1.00 0.00 C ATOM 823 OG SER A 57 2.215 -10.923 3.544 1.00 0.00 O ATOM 0 H SER A 57 3.257 -9.063 6.647 1.00 0.00 H new ATOM 0 HA SER A 57 4.406 -10.706 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.871 -9.890 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.186 -8.890 3.891 1.00 0.00 H new ATOM 0 HG SER A 57 1.262 -10.942 3.318 1.00 0.00 H new ATOM 829 N GLN A 58 5.795 -9.110 3.355 1.00 0.00 N ATOM 830 CA GLN A 58 6.583 -8.229 2.510 1.00 0.00 C ATOM 831 C GLN A 58 5.667 -7.397 1.610 1.00 0.00 C ATOM 832 O GLN A 58 5.988 -6.259 1.274 1.00 0.00 O ATOM 833 CB GLN A 58 7.593 -9.024 1.680 1.00 0.00 C ATOM 834 CG GLN A 58 8.854 -9.325 2.492 1.00 0.00 C ATOM 835 CD GLN A 58 8.536 -10.232 3.682 1.00 0.00 C ATOM 836 OE1 GLN A 58 8.128 -11.372 3.535 1.00 0.00 O ATOM 837 NE2 GLN A 58 8.747 -9.664 4.866 1.00 0.00 N ATOM 0 H GLN A 58 6.174 -10.051 3.461 1.00 0.00 H new ATOM 0 HA GLN A 58 7.144 -7.549 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.140 -9.957 1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.858 -8.460 0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.596 -9.804 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.293 -8.393 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.090 -8.705 4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.566 -10.188 5.722 1.00 0.00 H new ATOM 846 N GLY A 59 4.544 -7.999 1.246 1.00 0.00 N ATOM 847 CA GLY A 59 3.579 -7.328 0.391 1.00 0.00 C ATOM 848 C GLY A 59 3.260 -5.928 0.918 1.00 0.00 C ATOM 849 O GLY A 59 3.134 -4.982 0.142 1.00 0.00 O ATOM 0 H GLY A 59 4.281 -8.943 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.973 -7.258 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.664 -7.917 0.337 1.00 0.00 H new ATOM 853 N TYR A 60 3.138 -5.839 2.235 1.00 0.00 N ATOM 854 CA TYR A 60 2.836 -4.570 2.874 1.00 0.00 C ATOM 855 C TYR A 60 3.928 -3.538 2.588 1.00 0.00 C ATOM 856 O TYR A 60 3.634 -2.411 2.192 1.00 0.00 O ATOM 857 CB TYR A 60 2.801 -4.854 4.378 1.00 0.00 C ATOM 858 CG TYR A 60 2.706 -3.597 5.246 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.507 -2.923 5.355 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.820 -3.139 5.920 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.418 -1.740 6.172 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.731 -1.957 6.737 1.00 0.00 C ATOM 863 CZ TYR A 60 2.535 -1.316 6.823 1.00 0.00 C ATOM 864 OH TYR A 60 2.451 -0.199 7.594 1.00 0.00 O ATOM 0 H TYR A 60 3.243 -6.625 2.876 1.00 0.00 H new ATOM 0 HA TYR A 60 1.894 -4.167 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.950 -5.499 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.699 -5.407 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.636 -3.282 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.758 -3.667 5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.486 -1.202 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.595 -1.588 7.270 1.00 0.00 H new ATOM 0 HH TYR A 60 3.324 -0.015 7.999 1.00 0.00 H new ATOM 874 N ARG A 61 5.166 -3.960 2.799 1.00 0.00 N ATOM 875 CA ARG A 61 6.304 -3.086 2.569 1.00 0.00 C ATOM 876 C ARG A 61 6.349 -2.648 1.103 1.00 0.00 C ATOM 877 O ARG A 61 6.272 -1.457 0.805 1.00 0.00 O ATOM 878 CB ARG A 61 7.617 -3.786 2.925 1.00 0.00 C ATOM 879 CG ARG A 61 7.932 -3.637 4.414 1.00 0.00 C ATOM 880 CD ARG A 61 8.872 -4.746 4.890 1.00 0.00 C ATOM 881 NE ARG A 61 9.074 -4.645 6.353 1.00 0.00 N ATOM 882 CZ ARG A 61 9.882 -5.450 7.056 1.00 0.00 C ATOM 883 NH1 ARG A 61 10.569 -6.419 6.436 1.00 0.00 N ATOM 884 NH2 ARG A 61 10.004 -5.286 8.381 1.00 0.00 N ATOM 0 H ARG A 61 5.406 -4.896 3.127 1.00 0.00 H new ATOM 0 HA ARG A 61 6.186 -2.212 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.551 -4.843 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.430 -3.364 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.389 -2.665 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.007 -3.668 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.454 -5.721 4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.830 -4.668 4.376 1.00 0.00 H new ATOM 0 HE ARG A 61 8.567 -3.918 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.477 -6.544 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.184 -7.031 6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.482 -4.548 8.854 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.619 -5.899 8.916 1.00 0.00 H new ATOM 898 N TYR A 62 6.473 -3.635 0.227 1.00 0.00 N ATOM 899 CA TYR A 62 6.529 -3.366 -1.199 1.00 0.00 C ATOM 900 C TYR A 62 5.389 -2.440 -1.628 1.00 0.00 C ATOM 901 O TYR A 62 5.556 -1.620 -2.529 1.00 0.00 O ATOM 902 CB TYR A 62 6.357 -4.720 -1.890 1.00 0.00 C ATOM 903 CG TYR A 62 5.911 -4.622 -3.351 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.626 -4.221 -3.655 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.795 -4.934 -4.364 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.208 -4.128 -5.029 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.376 -4.841 -5.739 1.00 0.00 C ATOM 908 CZ TYR A 62 5.103 -4.442 -6.004 1.00 0.00 C ATOM 909 OH TYR A 62 4.707 -4.355 -7.302 1.00 0.00 O ATOM 0 H TYR A 62 6.536 -4.622 0.478 1.00 0.00 H new ATOM 0 HA TYR A 62 7.468 -2.879 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.302 -5.262 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.625 -5.308 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.934 -3.977 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.801 -5.248 -4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.205 -3.816 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.057 -5.083 -6.541 1.00 0.00 H new ATOM 0 HH TYR A 62 3.873 -4.855 -7.424 1.00 0.00 H new ATOM 919 N TYR A 63 4.255 -2.602 -0.962 1.00 0.00 N ATOM 920 CA TYR A 63 3.088 -1.790 -1.262 1.00 0.00 C ATOM 921 C TYR A 63 3.294 -0.344 -0.809 1.00 0.00 C ATOM 922 O TYR A 63 3.088 0.589 -1.584 1.00 0.00 O ATOM 923 CB TYR A 63 1.933 -2.402 -0.466 1.00 0.00 C ATOM 924 CG TYR A 63 0.805 -1.417 -0.150 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.177 -1.170 -1.086 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.771 -0.777 1.072 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.239 -0.243 -0.788 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.290 0.150 1.370 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.242 0.371 0.425 1.00 0.00 C ATOM 930 OH TYR A 63 -2.245 1.246 0.706 1.00 0.00 O ATOM 0 H TYR A 63 4.120 -3.284 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 63 2.896 -1.776 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.522 -3.241 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.323 -2.805 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.150 -1.671 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.540 -0.971 1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.015 -0.041 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.329 0.658 2.322 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.120 1.608 1.608 1.00 0.00 H new ATOM 940 N ARG A 64 3.699 -0.202 0.445 1.00 0.00 N ATOM 941 CA ARG A 64 3.936 1.115 1.011 1.00 0.00 C ATOM 942 C ARG A 64 4.976 1.870 0.181 1.00 0.00 C ATOM 943 O ARG A 64 4.778 3.036 -0.156 1.00 0.00 O ATOM 944 CB ARG A 64 4.424 1.013 2.457 1.00 0.00 C ATOM 945 CG ARG A 64 3.258 1.141 3.440 1.00 0.00 C ATOM 946 CD ARG A 64 3.246 2.520 4.102 1.00 0.00 C ATOM 947 NE ARG A 64 4.442 2.680 4.959 1.00 0.00 N ATOM 948 CZ ARG A 64 4.880 3.857 5.426 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.224 4.985 5.120 1.00 0.00 N ATOM 950 NH2 ARG A 64 5.974 3.907 6.197 1.00 0.00 N ATOM 0 H ARG A 64 3.869 -0.978 1.085 1.00 0.00 H new ATOM 0 HA ARG A 64 2.991 1.658 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.928 0.059 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.157 1.795 2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.316 0.977 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.336 0.368 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.228 3.299 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.342 2.638 4.699 1.00 0.00 H new ATOM 0 HE ARG A 64 4.966 1.841 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.392 4.947 4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.557 5.881 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.474 3.049 6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.307 4.803 6.552 1.00 0.00 H new ATOM 964 N GLN A 65 6.061 1.174 -0.124 1.00 0.00 N ATOM 965 CA GLN A 65 7.133 1.765 -0.908 1.00 0.00 C ATOM 966 C GLN A 65 6.567 2.425 -2.168 1.00 0.00 C ATOM 967 O GLN A 65 6.742 3.624 -2.376 1.00 0.00 O ATOM 968 CB GLN A 65 8.191 0.719 -1.265 1.00 0.00 C ATOM 969 CG GLN A 65 9.483 1.387 -1.742 1.00 0.00 C ATOM 970 CD GLN A 65 10.581 0.349 -1.980 1.00 0.00 C ATOM 971 OE1 GLN A 65 10.463 -0.539 -2.809 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.653 0.508 -1.208 1.00 0.00 N ATOM 0 H GLN A 65 6.221 0.207 0.157 1.00 0.00 H new ATOM 0 HA GLN A 65 7.617 2.533 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.399 0.096 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.808 0.061 -2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.293 1.938 -2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.817 2.112 -1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.687 1.273 -0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.441 -0.135 -1.290 1.00 0.00 H new ATOM 981 N LYS A 66 5.901 1.612 -2.975 1.00 0.00 N ATOM 982 CA LYS A 66 5.309 2.102 -4.208 1.00 0.00 C ATOM 983 C LYS A 66 4.442 3.325 -3.902 1.00 0.00 C ATOM 984 O LYS A 66 4.363 4.251 -4.707 1.00 0.00 O ATOM 985 CB LYS A 66 4.558 0.979 -4.925 1.00 0.00 C ATOM 986 CG LYS A 66 5.525 -0.096 -5.425 1.00 0.00 C ATOM 987 CD LYS A 66 6.630 0.519 -6.286 1.00 0.00 C ATOM 988 CE LYS A 66 7.116 -0.472 -7.345 1.00 0.00 C ATOM 989 NZ LYS A 66 8.496 -0.915 -7.047 1.00 0.00 N ATOM 0 H LYS A 66 5.758 0.617 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 66 6.085 2.427 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.831 0.532 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.999 1.390 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.968 -0.616 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.979 -0.840 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.258 1.422 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.465 0.818 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.450 -1.334 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.082 -0.006 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.810 -1.587 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.131 -0.091 -7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.519 -1.378 -6.116 1.00 0.00 H new ATOM 1003 N LEU A 67 3.813 3.287 -2.736 1.00 0.00 N ATOM 1004 CA LEU A 67 2.955 4.381 -2.314 1.00 0.00 C ATOM 1005 C LEU A 67 3.808 5.626 -2.065 1.00 0.00 C ATOM 1006 O LEU A 67 3.581 6.670 -2.675 1.00 0.00 O ATOM 1007 CB LEU A 67 2.110 3.963 -1.108 1.00 0.00 C ATOM 1008 CG LEU A 67 0.684 4.516 -1.066 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.047 4.249 -2.383 1.00 0.00 C ATOM 1010 CD2 LEU A 67 -0.083 3.963 0.137 1.00 0.00 C ATOM 0 H LEU A 67 3.880 2.516 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 67 2.244 4.634 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.057 2.874 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.627 4.276 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 67 0.741 5.598 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.058 4.652 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.490 4.729 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.094 3.175 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.093 4.372 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.132 2.876 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.429 4.247 1.057 1.00 0.00 H new ATOM 1022 N ASP A 68 4.771 5.475 -1.168 1.00 0.00 N ATOM 1023 CA ASP A 68 5.659 6.575 -0.831 1.00 0.00 C ATOM 1024 C ASP A 68 6.429 7.005 -2.081 1.00 0.00 C ATOM 1025 O ASP A 68 6.875 8.147 -2.178 1.00 0.00 O ATOM 1026 CB ASP A 68 6.678 6.155 0.230 1.00 0.00 C ATOM 1027 CG ASP A 68 6.983 7.216 1.290 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.370 8.332 0.880 1.00 0.00 O ATOM 1029 OD2 ASP A 68 6.823 6.887 2.485 1.00 0.00 O ATOM 0 H ASP A 68 4.956 4.608 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 68 5.051 7.392 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.311 5.259 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.608 5.883 -0.269 1.00 0.00 H new ATOM 1034 N GLU A 69 6.561 6.067 -3.007 1.00 0.00 N ATOM 1035 CA GLU A 69 7.269 6.334 -4.248 1.00 0.00 C ATOM 1036 C GLU A 69 6.398 7.172 -5.186 1.00 0.00 C ATOM 1037 O GLU A 69 6.669 8.351 -5.403 1.00 0.00 O ATOM 1038 CB GLU A 69 7.706 5.032 -4.921 1.00 0.00 C ATOM 1039 CG GLU A 69 8.012 5.257 -6.403 1.00 0.00 C ATOM 1040 CD GLU A 69 9.247 6.144 -6.579 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.420 7.049 -5.735 1.00 0.00 O ATOM 1042 OE2 GLU A 69 9.990 5.895 -7.554 1.00 0.00 O ATOM 0 H GLU A 69 6.190 5.121 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 69 8.169 6.903 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.590 4.638 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.920 4.284 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.176 4.298 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.154 5.721 -6.889 1.00 0.00 H new ATOM 1049 N PHE A 70 5.368 6.528 -5.718 1.00 0.00 N ATOM 1050 CA PHE A 70 4.456 7.199 -6.628 1.00 0.00 C ATOM 1051 C PHE A 70 4.110 8.602 -6.123 1.00 0.00 C ATOM 1052 O PHE A 70 4.222 9.577 -6.864 1.00 0.00 O ATOM 1053 CB PHE A 70 3.178 6.360 -6.679 1.00 0.00 C ATOM 1054 CG PHE A 70 3.342 5.019 -7.399 1.00 0.00 C ATOM 1055 CD1 PHE A 70 4.031 4.957 -8.570 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.800 3.891 -6.867 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.183 3.713 -9.238 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.953 2.647 -7.535 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.641 2.585 -8.707 1.00 0.00 C ATOM 0 H PHE A 70 5.146 5.549 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 70 4.918 7.299 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.836 6.175 -5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.398 6.935 -7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.462 5.853 -8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.253 3.941 -5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.729 3.663 -10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.523 1.751 -7.113 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.757 1.639 -9.216 1.00 0.00 H new ATOM 1069 N ARG A 71 3.698 8.658 -4.865 1.00 0.00 N ATOM 1070 CA ARG A 71 3.335 9.925 -4.253 1.00 0.00 C ATOM 1071 C ARG A 71 4.420 10.972 -4.517 1.00 0.00 C ATOM 1072 O ARG A 71 4.128 12.065 -4.999 1.00 0.00 O ATOM 1073 CB ARG A 71 3.141 9.771 -2.743 1.00 0.00 C ATOM 1074 CG ARG A 71 1.685 9.442 -2.409 1.00 0.00 C ATOM 1075 CD ARG A 71 1.601 8.423 -1.270 1.00 0.00 C ATOM 1076 NE ARG A 71 0.901 9.018 -0.109 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.420 9.232 -0.057 1.00 0.00 C ATOM 1078 NH1 ARG A 71 -1.194 8.901 -1.099 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -0.968 9.777 1.038 1.00 0.00 N ATOM 0 H ARG A 71 3.608 7.847 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 71 2.395 10.251 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.792 8.981 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.434 10.692 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.158 10.353 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.186 9.046 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.072 7.532 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.603 8.108 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 71 1.460 9.282 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.777 8.486 -1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.200 9.064 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.379 10.029 1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.974 9.940 1.078 1.00 0.00 H new ATOM 1093 N LYS A 72 5.648 10.600 -4.188 1.00 0.00 N ATOM 1094 CA LYS A 72 6.778 11.493 -4.384 1.00 0.00 C ATOM 1095 C LYS A 72 6.858 11.891 -5.859 1.00 0.00 C ATOM 1096 O LYS A 72 6.639 13.051 -6.205 1.00 0.00 O ATOM 1097 CB LYS A 72 8.062 10.858 -3.847 1.00 0.00 C ATOM 1098 CG LYS A 72 8.436 11.445 -2.484 1.00 0.00 C ATOM 1099 CD LYS A 72 9.694 10.777 -1.926 1.00 0.00 C ATOM 1100 CE LYS A 72 9.890 11.124 -0.449 1.00 0.00 C ATOM 1101 NZ LYS A 72 10.730 10.103 0.216 1.00 0.00 N ATOM 0 H LYS A 72 5.886 9.693 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 72 6.642 12.411 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.929 9.780 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.876 11.022 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.602 12.518 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.609 11.311 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.618 9.696 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.565 11.099 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.359 12.104 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.922 11.187 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.853 10.354 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.268 9.174 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.660 10.063 -0.248 1.00 0.00 H new ATOM 1115 N SER A 73 7.174 10.907 -6.688 1.00 0.00 N ATOM 1116 CA SER A 73 7.286 11.140 -8.117 1.00 0.00 C ATOM 1117 C SER A 73 6.922 9.867 -8.885 1.00 0.00 C ATOM 1118 O SER A 73 5.993 9.868 -9.691 1.00 0.00 O ATOM 1119 CB SER A 73 8.696 11.600 -8.491 1.00 0.00 C ATOM 1120 OG SER A 73 8.696 12.444 -9.639 1.00 0.00 O ATOM 0 H SER A 73 7.356 9.947 -6.397 1.00 0.00 H new ATOM 0 HA SER A 73 6.590 11.933 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.138 12.133 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.323 10.729 -8.682 1.00 0.00 H new ATOM 0 HG SER A 73 9.614 12.717 -9.844 1.00 0.00 H new ATOM 1126 N GLY A 74 7.675 8.812 -8.609 1.00 0.00 N ATOM 1127 CA GLY A 74 7.443 7.536 -9.263 1.00 0.00 C ATOM 1128 C GLY A 74 7.171 7.727 -10.757 1.00 0.00 C ATOM 1129 O GLY A 74 6.022 7.880 -11.168 1.00 0.00 O ATOM 0 H GLY A 74 8.446 8.815 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.311 6.891 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.596 7.033 -8.797 1.00 0.00 H new ATOM 1133 N PRO A 75 8.277 7.711 -11.549 1.00 0.00 N ATOM 1134 CA PRO A 75 8.169 7.881 -12.988 1.00 0.00 C ATOM 1135 C PRO A 75 7.633 6.610 -13.651 1.00 0.00 C ATOM 1136 O PRO A 75 8.387 5.868 -14.279 1.00 0.00 O ATOM 1137 CB PRO A 75 9.572 8.244 -13.447 1.00 0.00 C ATOM 1138 CG PRO A 75 10.503 7.812 -12.326 1.00 0.00 C ATOM 1139 CD PRO A 75 9.654 7.532 -11.097 1.00 0.00 C ATOM 0 HA PRO A 75 7.459 8.659 -13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.821 7.737 -14.379 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.657 9.314 -13.634 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.061 6.922 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.234 8.592 -12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.820 6.522 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.896 8.217 -10.284 1.00 0.00 H new ATOM 1147 N SER A 76 6.336 6.399 -13.489 1.00 0.00 N ATOM 1148 CA SER A 76 5.690 5.231 -14.065 1.00 0.00 C ATOM 1149 C SER A 76 5.915 5.201 -15.578 1.00 0.00 C ATOM 1150 O SER A 76 6.556 4.288 -16.096 1.00 0.00 O ATOM 1151 CB SER A 76 4.193 5.218 -13.750 1.00 0.00 C ATOM 1152 OG SER A 76 3.696 3.894 -13.571 1.00 0.00 O ATOM 0 H SER A 76 5.714 7.017 -12.967 1.00 0.00 H new ATOM 0 HA SER A 76 6.135 4.340 -13.621 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.008 5.800 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.648 5.703 -14.560 1.00 0.00 H new ATOM 0 HG SER A 76 2.737 3.929 -13.370 1.00 0.00 H new ATOM 1158 N SER A 77 5.375 6.211 -16.244 1.00 0.00 N ATOM 1159 CA SER A 77 5.508 6.312 -17.687 1.00 0.00 C ATOM 1160 C SER A 77 6.964 6.600 -18.059 1.00 0.00 C ATOM 1161 O SER A 77 7.581 5.839 -18.804 1.00 0.00 O ATOM 1162 CB SER A 77 4.592 7.400 -18.251 1.00 0.00 C ATOM 1163 OG SER A 77 5.183 8.693 -18.166 1.00 0.00 O ATOM 0 H SER A 77 4.844 6.967 -15.811 1.00 0.00 H new ATOM 0 HA SER A 77 5.208 5.360 -18.125 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.361 7.175 -19.292 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.648 7.397 -17.707 1.00 0.00 H new ATOM 0 HG SER A 77 4.568 9.359 -18.538 1.00 0.00 H new ATOM 1169 N GLY A 78 7.472 7.700 -17.524 1.00 0.00 N ATOM 1170 CA GLY A 78 8.844 8.098 -17.790 1.00 0.00 C ATOM 1171 C GLY A 78 8.987 8.659 -19.206 1.00 0.00 C ATOM 1172 O GLY A 78 9.571 9.724 -19.400 1.00 0.00 O ATOM 0 H GLY A 78 6.958 8.329 -16.907 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.156 8.849 -17.064 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.506 7.241 -17.666 1.00 0.00 H new TER 1176 GLY A 78