USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 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 68 SER OG : rot 180:sc= -0.115 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.821 K(o=-0.94,f=-0.43) USER MOD Set 2.1: A 42 MET CE :methyl -174:sc= -10.2! (180deg=-3.59!) USER MOD Set 2.2: A 61 MET CE :methyl 149:sc= -13.9! (180deg=-5.22!) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.04 K(o=-1.8,f=-2.9!) USER MOD Set 3.2: A 60 GLN : amide:sc= -0.71 X(o=-1.8,f=-2.1) USER MOD Set 4.1: A 17 THR OG1 : rot 139:sc= -0.35 USER MOD Set 4.2: A 64 THR OG1 : rot -77:sc= 0.0148 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0459 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00109 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 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.1!) USER MOD Single : A 23 GLN : amide:sc= -1.94 K(o=-1.9,f=-3!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.821 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.086) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.995 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -17:sc= -5.34! USER MOD Single : A 50 THR OG1 : rot 44:sc= 0.0592 USER MOD Single : A 57 ASN : amide:sc=-0.000228 X(o=-0.00023,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= -0.0892 K(o=-0.089,f=-2.8!) USER MOD Single : A 70 SER OG : rot 140:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 134:sc= -2.5! (180deg=-4.48!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.0361 (180deg=-0.254) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.058 -5.234 -8.904 1.00 0.00 N ATOM 2 CA GLY A 1 -9.781 -4.034 -9.674 1.00 0.00 C ATOM 3 C GLY A 1 -10.989 -3.095 -9.679 1.00 0.00 C ATOM 4 O GLY A 1 -12.128 -3.542 -9.554 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.537 -5.197 -8.005 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.078 -5.295 -8.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.758 -6.070 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.917 -3.519 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.523 -4.306 -10.698 1.00 0.00 H new ATOM 8 N SER A 2 -10.699 -1.810 -9.825 1.00 0.00 N ATOM 9 CA SER A 2 -11.747 -0.804 -9.848 1.00 0.00 C ATOM 10 C SER A 2 -11.830 -0.166 -11.236 1.00 0.00 C ATOM 11 O SER A 2 -11.122 0.797 -11.523 1.00 0.00 O ATOM 12 CB SER A 2 -11.505 0.268 -8.784 1.00 0.00 C ATOM 13 OG SER A 2 -11.182 -0.299 -7.518 1.00 0.00 O ATOM 0 H SER A 2 -9.753 -1.443 -9.929 1.00 0.00 H new ATOM 0 HA SER A 2 -12.695 -1.293 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.694 0.921 -9.106 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.395 0.889 -8.686 1.00 0.00 H new ATOM 0 HG SER A 2 -11.033 0.418 -6.867 1.00 0.00 H new ATOM 19 N SER A 3 -12.701 -0.730 -12.060 1.00 0.00 N ATOM 20 CA SER A 3 -12.886 -0.228 -13.411 1.00 0.00 C ATOM 21 C SER A 3 -14.099 0.703 -13.463 1.00 0.00 C ATOM 22 O SER A 3 -13.976 1.869 -13.835 1.00 0.00 O ATOM 23 CB SER A 3 -13.056 -1.377 -14.407 1.00 0.00 C ATOM 24 OG SER A 3 -14.023 -2.326 -13.967 1.00 0.00 O ATOM 0 H SER A 3 -13.286 -1.530 -11.818 1.00 0.00 H new ATOM 0 HA SER A 3 -11.994 0.332 -13.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.356 -0.976 -15.375 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.098 -1.876 -14.552 1.00 0.00 H new ATOM 0 HG SER A 3 -14.104 -3.043 -14.631 1.00 0.00 H new ATOM 30 N GLY A 4 -15.243 0.153 -13.083 1.00 0.00 N ATOM 31 CA GLY A 4 -16.478 0.919 -13.082 1.00 0.00 C ATOM 32 C GLY A 4 -16.336 2.185 -12.234 1.00 0.00 C ATOM 33 O GLY A 4 -16.302 3.293 -12.766 1.00 0.00 O ATOM 0 H GLY A 4 -15.341 -0.814 -12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.744 1.189 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.291 0.305 -12.693 1.00 0.00 H new ATOM 37 N SER A 5 -16.257 1.977 -10.927 1.00 0.00 N ATOM 38 CA SER A 5 -16.120 3.088 -10.000 1.00 0.00 C ATOM 39 C SER A 5 -15.070 4.074 -10.516 1.00 0.00 C ATOM 40 O SER A 5 -15.369 5.248 -10.731 1.00 0.00 O ATOM 41 CB SER A 5 -15.743 2.595 -8.602 1.00 0.00 C ATOM 42 OG SER A 5 -15.630 3.667 -7.670 1.00 0.00 O ATOM 0 H SER A 5 -16.285 1.056 -10.489 1.00 0.00 H new ATOM 0 HA SER A 5 -17.082 3.595 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.495 1.888 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.797 2.056 -8.651 1.00 0.00 H new ATOM 0 HG SER A 5 -15.390 3.311 -6.789 1.00 0.00 H new ATOM 48 N SER A 6 -13.863 3.561 -10.700 1.00 0.00 N ATOM 49 CA SER A 6 -12.767 4.382 -11.187 1.00 0.00 C ATOM 50 C SER A 6 -13.223 5.199 -12.397 1.00 0.00 C ATOM 51 O SER A 6 -13.133 6.426 -12.392 1.00 0.00 O ATOM 52 CB SER A 6 -11.555 3.522 -11.554 1.00 0.00 C ATOM 53 OG SER A 6 -10.512 4.293 -12.142 1.00 0.00 O ATOM 0 H SER A 6 -13.619 2.587 -10.521 1.00 0.00 H new ATOM 0 HA SER A 6 -12.468 5.062 -10.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.179 3.025 -10.660 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.862 2.739 -12.248 1.00 0.00 H new ATOM 0 HG SER A 6 -9.756 3.708 -12.360 1.00 0.00 H new ATOM 59 N GLY A 7 -13.704 4.486 -13.406 1.00 0.00 N ATOM 60 CA GLY A 7 -14.174 5.130 -14.620 1.00 0.00 C ATOM 61 C GLY A 7 -14.898 6.440 -14.301 1.00 0.00 C ATOM 62 O GLY A 7 -14.385 7.522 -14.583 1.00 0.00 O ATOM 0 H GLY A 7 -13.778 3.469 -13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.330 5.328 -15.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.847 4.459 -15.155 1.00 0.00 H new ATOM 66 N SER A 8 -16.079 6.299 -13.717 1.00 0.00 N ATOM 67 CA SER A 8 -16.879 7.457 -13.357 1.00 0.00 C ATOM 68 C SER A 8 -16.675 7.794 -11.878 1.00 0.00 C ATOM 69 O SER A 8 -17.614 7.727 -11.087 1.00 0.00 O ATOM 70 CB SER A 8 -18.361 7.215 -13.646 1.00 0.00 C ATOM 71 OG SER A 8 -18.789 7.877 -14.834 1.00 0.00 O ATOM 0 H SER A 8 -16.501 5.400 -13.484 1.00 0.00 H new ATOM 0 HA SER A 8 -16.552 8.301 -13.965 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.541 6.144 -13.743 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.956 7.564 -12.802 1.00 0.00 H new ATOM 0 HG SER A 8 -19.740 7.696 -14.985 1.00 0.00 H new ATOM 77 N SER A 9 -15.442 8.150 -11.550 1.00 0.00 N ATOM 78 CA SER A 9 -15.102 8.498 -10.181 1.00 0.00 C ATOM 79 C SER A 9 -15.143 10.017 -10.001 1.00 0.00 C ATOM 80 O SER A 9 -15.936 10.531 -9.214 1.00 0.00 O ATOM 81 CB SER A 9 -13.724 7.955 -9.800 1.00 0.00 C ATOM 82 OG SER A 9 -13.577 7.813 -8.389 1.00 0.00 O ATOM 0 H SER A 9 -14.666 8.205 -12.209 1.00 0.00 H new ATOM 0 HA SER A 9 -15.838 8.040 -9.520 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.570 6.988 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.953 8.625 -10.179 1.00 0.00 H new ATOM 0 HG SER A 9 -12.685 7.462 -8.187 1.00 0.00 H new ATOM 88 N PHE A 10 -14.278 10.692 -10.744 1.00 0.00 N ATOM 89 CA PHE A 10 -14.205 12.141 -10.676 1.00 0.00 C ATOM 90 C PHE A 10 -14.343 12.631 -9.233 1.00 0.00 C ATOM 91 O PHE A 10 -15.388 13.153 -8.848 1.00 0.00 O ATOM 92 CB PHE A 10 -15.373 12.687 -11.501 1.00 0.00 C ATOM 93 CG PHE A 10 -14.987 13.114 -12.919 1.00 0.00 C ATOM 94 CD1 PHE A 10 -14.432 12.213 -13.773 1.00 0.00 C ATOM 95 CD2 PHE A 10 -15.199 14.395 -13.324 1.00 0.00 C ATOM 96 CE1 PHE A 10 -14.074 12.610 -15.089 1.00 0.00 C ATOM 97 CE2 PHE A 10 -14.841 14.791 -14.640 1.00 0.00 C ATOM 98 CZ PHE A 10 -14.286 13.891 -15.494 1.00 0.00 C ATOM 0 H PHE A 10 -13.622 10.262 -11.396 1.00 0.00 H new ATOM 0 HA PHE A 10 -13.242 12.483 -11.057 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -16.150 11.925 -11.561 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.804 13.542 -10.980 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.263 11.196 -13.451 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -15.639 15.110 -12.645 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.634 11.895 -15.768 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -15.010 15.808 -14.962 1.00 0.00 H new ATOM 0 HZ PHE A 10 -14.013 14.193 -16.494 1.00 0.00 H new ATOM 108 N GLN A 11 -13.273 12.445 -8.474 1.00 0.00 N ATOM 109 CA GLN A 11 -13.262 12.861 -7.082 1.00 0.00 C ATOM 110 C GLN A 11 -11.866 12.673 -6.483 1.00 0.00 C ATOM 111 O GLN A 11 -11.208 11.667 -6.739 1.00 0.00 O ATOM 112 CB GLN A 11 -14.313 12.098 -6.273 1.00 0.00 C ATOM 113 CG GLN A 11 -13.977 10.607 -6.206 1.00 0.00 C ATOM 114 CD GLN A 11 -13.516 10.211 -4.802 1.00 0.00 C ATOM 115 OE1 GLN A 11 -13.818 10.862 -3.815 1.00 0.00 O ATOM 116 NE2 GLN A 11 -12.770 9.111 -4.767 1.00 0.00 N ATOM 0 H GLN A 11 -12.408 12.012 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.516 13.920 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.369 12.508 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.295 12.233 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.853 10.020 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.195 10.374 -6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.554 8.613 -5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.413 8.765 -3.876 1.00 0.00 H new ATOM 125 N GLY A 12 -11.457 13.658 -5.697 1.00 0.00 N ATOM 126 CA GLY A 12 -10.152 13.614 -5.060 1.00 0.00 C ATOM 127 C GLY A 12 -10.235 14.087 -3.607 1.00 0.00 C ATOM 128 O GLY A 12 -10.660 15.210 -3.340 1.00 0.00 O ATOM 0 H GLY A 12 -12.006 14.491 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.761 12.597 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.453 14.243 -5.611 1.00 0.00 H new ATOM 132 N PRO A 13 -9.810 13.184 -2.683 1.00 0.00 N ATOM 133 CA PRO A 13 -9.832 13.498 -1.265 1.00 0.00 C ATOM 134 C PRO A 13 -8.699 14.458 -0.898 1.00 0.00 C ATOM 135 O PRO A 13 -7.664 14.485 -1.563 1.00 0.00 O ATOM 136 CB PRO A 13 -9.723 12.154 -0.563 1.00 0.00 C ATOM 137 CG PRO A 13 -9.179 11.186 -1.600 1.00 0.00 C ATOM 138 CD PRO A 13 -9.300 11.845 -2.964 1.00 0.00 C ATOM 0 HA PRO A 13 -10.741 14.018 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.059 12.216 0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.695 11.826 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.139 10.942 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.737 10.250 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.336 11.886 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.978 11.291 -3.613 1.00 0.00 H new ATOM 146 N LEU A 14 -8.932 15.223 0.158 1.00 0.00 N ATOM 147 CA LEU A 14 -7.944 16.182 0.621 1.00 0.00 C ATOM 148 C LEU A 14 -6.985 15.490 1.594 1.00 0.00 C ATOM 149 O LEU A 14 -5.929 16.031 1.919 1.00 0.00 O ATOM 150 CB LEU A 14 -8.629 17.417 1.208 1.00 0.00 C ATOM 151 CG LEU A 14 -9.755 17.148 2.209 1.00 0.00 C ATOM 152 CD1 LEU A 14 -9.554 17.959 3.491 1.00 0.00 C ATOM 153 CD2 LEU A 14 -11.124 17.405 1.577 1.00 0.00 C ATOM 0 H LEU A 14 -9.792 15.198 0.707 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.345 16.545 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.872 18.029 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.034 18.008 0.387 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.721 16.094 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.368 17.750 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.605 17.684 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.546 19.022 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.906 17.206 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.186 18.444 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.257 16.748 0.717 1.00 0.00 H new ATOM 165 N ASP A 15 -7.388 14.306 2.030 1.00 0.00 N ATOM 166 CA ASP A 15 -6.578 13.535 2.958 1.00 0.00 C ATOM 167 C ASP A 15 -5.380 12.943 2.213 1.00 0.00 C ATOM 168 O ASP A 15 -4.234 13.166 2.598 1.00 0.00 O ATOM 169 CB ASP A 15 -7.380 12.379 3.559 1.00 0.00 C ATOM 170 CG ASP A 15 -6.853 11.854 4.896 1.00 0.00 C ATOM 171 OD1 ASP A 15 -5.612 11.814 5.042 1.00 0.00 O ATOM 172 OD2 ASP A 15 -7.703 11.504 5.743 1.00 0.00 O ATOM 0 H ASP A 15 -8.265 13.861 1.758 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.253 14.202 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.412 12.704 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.396 11.557 2.844 1.00 0.00 H new ATOM 177 N ALA A 16 -5.687 12.200 1.160 1.00 0.00 N ATOM 178 CA ALA A 16 -4.650 11.574 0.358 1.00 0.00 C ATOM 179 C ALA A 16 -4.161 10.307 1.063 1.00 0.00 C ATOM 180 O ALA A 16 -2.970 9.999 1.037 1.00 0.00 O ATOM 181 CB ALA A 16 -3.521 12.576 0.110 1.00 0.00 C ATOM 0 H ALA A 16 -6.639 12.017 0.844 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.043 11.279 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.743 12.106 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.914 13.444 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.100 12.893 1.064 1.00 0.00 H new ATOM 187 N THR A 17 -5.104 9.608 1.676 1.00 0.00 N ATOM 188 CA THR A 17 -4.784 8.382 2.387 1.00 0.00 C ATOM 189 C THR A 17 -5.332 7.169 1.632 1.00 0.00 C ATOM 190 O THR A 17 -6.415 7.231 1.053 1.00 0.00 O ATOM 191 CB THR A 17 -5.327 8.506 3.812 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.616 9.614 4.359 1.00 0.00 O ATOM 193 CG2 THR A 17 -4.918 7.327 4.699 1.00 0.00 C ATOM 0 H THR A 17 -6.090 9.867 1.695 1.00 0.00 H new ATOM 0 HA THR A 17 -3.706 8.229 2.446 1.00 0.00 H new ATOM 0 HB THR A 17 -6.414 8.578 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.228 10.165 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.329 7.464 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.303 6.400 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.831 7.276 4.757 1.00 0.00 H new ATOM 201 N VAL A 18 -4.557 6.094 1.662 1.00 0.00 N ATOM 202 CA VAL A 18 -4.951 4.869 0.988 1.00 0.00 C ATOM 203 C VAL A 18 -4.738 3.682 1.929 1.00 0.00 C ATOM 204 O VAL A 18 -3.844 3.708 2.774 1.00 0.00 O ATOM 205 CB VAL A 18 -4.189 4.730 -0.332 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.598 5.824 -1.319 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.678 4.741 -0.096 1.00 0.00 C ATOM 0 H VAL A 18 -3.659 6.047 2.143 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.011 4.896 0.735 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.452 3.768 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.042 5.702 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.666 5.749 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.378 6.802 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.160 4.641 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.390 5.680 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.405 3.910 0.554 1.00 0.00 H new ATOM 217 N VAL A 19 -5.574 2.669 1.753 1.00 0.00 N ATOM 218 CA VAL A 19 -5.488 1.475 2.576 1.00 0.00 C ATOM 219 C VAL A 19 -4.784 0.368 1.789 1.00 0.00 C ATOM 220 O VAL A 19 -5.052 0.177 0.604 1.00 0.00 O ATOM 221 CB VAL A 19 -6.882 1.072 3.059 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.818 -0.187 3.927 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.557 2.222 3.810 1.00 0.00 C ATOM 0 H VAL A 19 -6.315 2.651 1.052 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.893 1.668 3.468 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.488 0.845 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.822 -0.452 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.398 -1.008 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.188 0.002 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.547 1.908 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.953 2.495 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.652 3.083 3.148 1.00 0.00 H new ATOM 233 N VAL A 20 -3.897 -0.333 2.481 1.00 0.00 N ATOM 234 CA VAL A 20 -3.152 -1.416 1.861 1.00 0.00 C ATOM 235 C VAL A 20 -3.469 -2.726 2.586 1.00 0.00 C ATOM 236 O VAL A 20 -3.535 -2.760 3.814 1.00 0.00 O ATOM 237 CB VAL A 20 -1.659 -1.085 1.850 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.834 -2.288 1.388 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.375 0.141 0.980 1.00 0.00 C ATOM 0 H VAL A 20 -3.678 -0.172 3.464 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.451 -1.539 0.820 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.362 -0.847 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.224 -2.026 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.001 -3.125 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.136 -2.571 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.306 0.354 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.696 -0.056 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.920 1.000 1.372 1.00 0.00 H new ATOM 249 N ASN A 21 -3.656 -3.772 1.795 1.00 0.00 N ATOM 250 CA ASN A 21 -3.964 -5.081 2.345 1.00 0.00 C ATOM 251 C ASN A 21 -3.349 -6.162 1.454 1.00 0.00 C ATOM 252 O ASN A 21 -3.020 -5.905 0.297 1.00 0.00 O ATOM 253 CB ASN A 21 -5.475 -5.315 2.397 1.00 0.00 C ATOM 254 CG ASN A 21 -6.130 -4.432 3.462 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.465 -3.282 3.231 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.294 -5.033 4.637 1.00 0.00 N ATOM 0 H ASN A 21 -3.600 -3.740 0.777 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.557 -5.126 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.914 -5.101 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.677 -6.364 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.723 -4.528 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.991 -5.999 4.763 1.00 0.00 H new ATOM 263 N LEU A 22 -3.212 -7.349 2.027 1.00 0.00 N ATOM 264 CA LEU A 22 -2.642 -8.470 1.299 1.00 0.00 C ATOM 265 C LEU A 22 -3.769 -9.385 0.817 1.00 0.00 C ATOM 266 O LEU A 22 -4.817 -9.475 1.455 1.00 0.00 O ATOM 267 CB LEU A 22 -1.592 -9.184 2.152 1.00 0.00 C ATOM 268 CG LEU A 22 -0.304 -8.404 2.423 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.862 -9.352 2.711 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.008 -7.444 1.273 1.00 0.00 C ATOM 0 H LEU A 22 -3.486 -7.559 2.987 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.114 -8.120 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.045 -9.442 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.329 -10.121 1.660 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.454 -7.798 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.765 -8.771 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.630 -9.958 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.023 -10.003 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.928 -6.902 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.130 -8.010 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.812 -6.735 1.158 1.00 0.00 H new ATOM 282 N GLN A 23 -3.515 -10.042 -0.305 1.00 0.00 N ATOM 283 CA GLN A 23 -4.495 -10.948 -0.880 1.00 0.00 C ATOM 284 C GLN A 23 -4.403 -12.322 -0.214 1.00 0.00 C ATOM 285 O GLN A 23 -5.399 -12.840 0.289 1.00 0.00 O ATOM 286 CB GLN A 23 -4.316 -11.060 -2.395 1.00 0.00 C ATOM 287 CG GLN A 23 -4.916 -9.847 -3.110 1.00 0.00 C ATOM 288 CD GLN A 23 -6.444 -9.862 -3.026 1.00 0.00 C ATOM 289 OE1 GLN A 23 -7.044 -9.386 -2.076 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.037 -10.434 -4.069 1.00 0.00 N ATOM 0 H GLN A 23 -2.645 -9.965 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.489 -10.542 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.256 -11.140 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.794 -11.971 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.533 -8.930 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.606 -9.846 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.475 -10.813 -4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.054 -10.494 -4.107 1.00 0.00 H new ATOM 299 N SER A 24 -3.199 -12.874 -0.232 1.00 0.00 N ATOM 300 CA SER A 24 -2.964 -14.178 0.364 1.00 0.00 C ATOM 301 C SER A 24 -1.783 -14.105 1.333 1.00 0.00 C ATOM 302 O SER A 24 -0.709 -14.633 1.049 1.00 0.00 O ATOM 303 CB SER A 24 -2.704 -15.236 -0.711 1.00 0.00 C ATOM 304 OG SER A 24 -2.303 -16.481 -0.147 1.00 0.00 O ATOM 0 H SER A 24 -2.375 -12.442 -0.650 1.00 0.00 H new ATOM 0 HA SER A 24 -3.859 -14.469 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.607 -15.380 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.930 -14.880 -1.391 1.00 0.00 H new ATOM 0 HG SER A 24 -2.148 -17.130 -0.864 1.00 0.00 H new ATOM 310 N PRO A 25 -2.028 -13.429 2.488 1.00 0.00 N ATOM 311 CA PRO A 25 -0.997 -13.281 3.501 1.00 0.00 C ATOM 312 C PRO A 25 -0.790 -14.588 4.269 1.00 0.00 C ATOM 313 O PRO A 25 -1.461 -15.583 4.000 1.00 0.00 O ATOM 314 CB PRO A 25 -1.476 -12.142 4.386 1.00 0.00 C ATOM 315 CG PRO A 25 -2.966 -12.004 4.118 1.00 0.00 C ATOM 316 CD PRO A 25 -3.288 -12.792 2.858 1.00 0.00 C ATOM 0 HA PRO A 25 -0.019 -13.054 3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.287 -12.358 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.950 -11.217 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.542 -12.382 4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.236 -10.955 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.067 -13.532 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.650 -12.139 2.064 1.00 0.00 H new ATOM 324 N THR A 26 0.141 -14.543 5.210 1.00 0.00 N ATOM 325 CA THR A 26 0.445 -15.712 6.019 1.00 0.00 C ATOM 326 C THR A 26 0.185 -15.419 7.498 1.00 0.00 C ATOM 327 O THR A 26 -0.392 -14.387 7.838 1.00 0.00 O ATOM 328 CB THR A 26 1.888 -16.128 5.726 1.00 0.00 C ATOM 329 OG1 THR A 26 2.620 -14.906 5.784 1.00 0.00 O ATOM 330 CG2 THR A 26 2.078 -16.608 4.286 1.00 0.00 C ATOM 0 H THR A 26 0.695 -13.716 5.431 1.00 0.00 H new ATOM 0 HA THR A 26 -0.207 -16.548 5.766 1.00 0.00 H new ATOM 0 HB THR A 26 2.184 -16.919 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.531 -15.054 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.119 -16.891 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.437 -17.470 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.814 -15.806 3.597 1.00 0.00 H new ATOM 338 N LEU A 27 0.624 -16.345 8.338 1.00 0.00 N ATOM 339 CA LEU A 27 0.446 -16.199 9.773 1.00 0.00 C ATOM 340 C LEU A 27 1.167 -14.935 10.245 1.00 0.00 C ATOM 341 O LEU A 27 0.565 -14.076 10.888 1.00 0.00 O ATOM 342 CB LEU A 27 0.891 -17.469 10.500 1.00 0.00 C ATOM 343 CG LEU A 27 -0.070 -18.657 10.425 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.677 -19.979 10.608 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.214 -18.500 11.429 1.00 0.00 C ATOM 0 H LEU A 27 1.103 -17.199 8.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.609 -16.074 10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.853 -17.779 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.054 -17.225 11.550 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.515 -18.675 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.029 -20.807 10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.426 -20.085 9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.168 -19.988 11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.883 -19.357 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.807 -18.443 12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.768 -17.588 11.209 1.00 0.00 H new ATOM 357 N GLU A 28 2.447 -14.861 9.909 1.00 0.00 N ATOM 358 CA GLU A 28 3.256 -13.716 10.291 1.00 0.00 C ATOM 359 C GLU A 28 2.480 -12.417 10.062 1.00 0.00 C ATOM 360 O GLU A 28 2.379 -11.584 10.961 1.00 0.00 O ATOM 361 CB GLU A 28 4.583 -13.704 9.530 1.00 0.00 C ATOM 362 CG GLU A 28 4.348 -13.751 8.019 1.00 0.00 C ATOM 363 CD GLU A 28 5.527 -14.411 7.301 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.544 -15.660 7.268 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.385 -13.651 6.802 1.00 0.00 O ATOM 0 H GLU A 28 2.943 -15.575 9.377 1.00 0.00 H new ATOM 0 HA GLU A 28 3.485 -13.796 11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.145 -12.806 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.189 -14.558 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.433 -14.304 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.205 -12.740 7.638 1.00 0.00 H new ATOM 372 N GLU A 29 1.953 -12.286 8.854 1.00 0.00 N ATOM 373 CA GLU A 29 1.189 -11.103 8.495 1.00 0.00 C ATOM 374 C GLU A 29 -0.112 -11.047 9.298 1.00 0.00 C ATOM 375 O GLU A 29 -0.409 -10.038 9.936 1.00 0.00 O ATOM 376 CB GLU A 29 0.908 -11.067 6.992 1.00 0.00 C ATOM 377 CG GLU A 29 0.585 -9.645 6.528 1.00 0.00 C ATOM 378 CD GLU A 29 -0.870 -9.535 6.070 1.00 0.00 C ATOM 379 OE1 GLU A 29 -1.679 -10.360 6.546 1.00 0.00 O ATOM 380 OE2 GLU A 29 -1.141 -8.627 5.254 1.00 0.00 O ATOM 0 H GLU A 29 2.040 -12.979 8.111 1.00 0.00 H new ATOM 0 HA GLU A 29 1.783 -10.223 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.774 -11.443 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.073 -11.728 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.768 -8.943 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.249 -9.366 5.710 1.00 0.00 H new ATOM 387 N LYS A 30 -0.853 -12.144 9.240 1.00 0.00 N ATOM 388 CA LYS A 30 -2.115 -12.232 9.954 1.00 0.00 C ATOM 389 C LYS A 30 -1.943 -11.653 11.360 1.00 0.00 C ATOM 390 O LYS A 30 -2.873 -11.065 11.911 1.00 0.00 O ATOM 391 CB LYS A 30 -2.638 -13.670 9.942 1.00 0.00 C ATOM 392 CG LYS A 30 -3.767 -13.835 8.923 1.00 0.00 C ATOM 393 CD LYS A 30 -3.476 -14.990 7.963 1.00 0.00 C ATOM 394 CE LYS A 30 -3.462 -16.328 8.703 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.141 -17.371 7.902 1.00 0.00 N ATOM 0 H LYS A 30 -0.603 -12.979 8.710 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.877 -11.635 9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.824 -14.355 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.998 -13.938 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.707 -14.018 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.890 -12.911 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.231 -15.013 7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.514 -14.829 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.434 -16.628 8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.958 -16.222 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.122 -18.273 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.128 -17.090 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.651 -17.484 6.992 1.00 0.00 H new ATOM 409 N ASN A 31 -0.748 -11.838 11.899 1.00 0.00 N ATOM 410 CA ASN A 31 -0.442 -11.340 13.230 1.00 0.00 C ATOM 411 C ASN A 31 -0.072 -9.858 13.143 1.00 0.00 C ATOM 412 O ASN A 31 -0.484 -9.062 13.985 1.00 0.00 O ATOM 413 CB ASN A 31 0.746 -12.089 13.838 1.00 0.00 C ATOM 414 CG ASN A 31 0.354 -12.758 15.158 1.00 0.00 C ATOM 415 OD1 ASN A 31 0.340 -12.146 16.213 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.039 -14.044 15.039 1.00 0.00 N ATOM 0 H ASN A 31 0.021 -12.326 11.439 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.322 -11.489 13.856 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.103 -12.843 13.136 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.570 -11.396 14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.236 -14.580 15.862 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.072 -14.495 14.125 1.00 0.00 H new ATOM 423 N GLU A 32 0.701 -9.533 12.117 1.00 0.00 N ATOM 424 CA GLU A 32 1.131 -8.161 11.909 1.00 0.00 C ATOM 425 C GLU A 32 1.915 -8.042 10.601 1.00 0.00 C ATOM 426 O GLU A 32 2.715 -8.917 10.272 1.00 0.00 O ATOM 427 CB GLU A 32 1.961 -7.661 13.094 1.00 0.00 C ATOM 428 CG GLU A 32 1.237 -6.535 13.834 1.00 0.00 C ATOM 429 CD GLU A 32 2.109 -5.967 14.956 1.00 0.00 C ATOM 430 OE1 GLU A 32 3.183 -5.424 14.621 1.00 0.00 O ATOM 431 OE2 GLU A 32 1.681 -6.090 16.124 1.00 0.00 O ATOM 0 H GLU A 32 1.041 -10.197 11.421 1.00 0.00 H new ATOM 0 HA GLU A 32 0.245 -7.530 11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.156 -8.485 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.929 -7.305 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.978 -5.742 13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.302 -6.911 14.250 1.00 0.00 H new ATOM 438 N PHE A 33 1.659 -6.954 9.891 1.00 0.00 N ATOM 439 CA PHE A 33 2.331 -6.710 8.626 1.00 0.00 C ATOM 440 C PHE A 33 3.850 -6.797 8.787 1.00 0.00 C ATOM 441 O PHE A 33 4.407 -6.273 9.750 1.00 0.00 O ATOM 442 CB PHE A 33 1.957 -5.293 8.187 1.00 0.00 C ATOM 443 CG PHE A 33 2.068 -5.059 6.679 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.290 -5.027 6.084 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.944 -4.883 5.934 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.393 -4.810 4.684 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.046 -4.666 4.534 1.00 0.00 C ATOM 448 CZ PHE A 33 2.269 -4.634 3.939 1.00 0.00 C ATOM 0 H PHE A 33 0.995 -6.231 10.168 1.00 0.00 H new ATOM 0 HA PHE A 33 2.027 -7.457 7.893 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.935 -5.084 8.502 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.602 -4.582 8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.183 -5.167 6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.027 -4.908 6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.364 -4.785 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.153 -4.527 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.347 -4.469 2.875 1.00 0.00 H new ATOM 458 N PRO A 34 4.493 -7.481 7.803 1.00 0.00 N ATOM 459 CA PRO A 34 5.937 -7.644 7.826 1.00 0.00 C ATOM 460 C PRO A 34 6.642 -6.345 7.431 1.00 0.00 C ATOM 461 O PRO A 34 6.297 -5.729 6.424 1.00 0.00 O ATOM 462 CB PRO A 34 6.219 -8.789 6.866 1.00 0.00 C ATOM 463 CG PRO A 34 4.981 -8.916 5.994 1.00 0.00 C ATOM 464 CD PRO A 34 3.866 -8.116 6.647 1.00 0.00 C ATOM 0 HA PRO A 34 6.319 -7.873 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.103 -8.584 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.412 -9.715 7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.181 -8.542 4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.691 -9.962 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.457 -7.374 5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.040 -8.761 6.949 1.00 0.00 H new ATOM 472 N GLU A 35 7.617 -5.967 8.245 1.00 0.00 N ATOM 473 CA GLU A 35 8.373 -4.752 7.993 1.00 0.00 C ATOM 474 C GLU A 35 9.182 -4.889 6.701 1.00 0.00 C ATOM 475 O GLU A 35 9.689 -3.899 6.175 1.00 0.00 O ATOM 476 CB GLU A 35 9.282 -4.417 9.177 1.00 0.00 C ATOM 477 CG GLU A 35 10.005 -5.667 9.684 1.00 0.00 C ATOM 478 CD GLU A 35 9.497 -6.069 11.070 1.00 0.00 C ATOM 479 OE1 GLU A 35 9.946 -5.430 12.047 1.00 0.00 O ATOM 480 OE2 GLU A 35 8.671 -7.006 11.123 1.00 0.00 O ATOM 0 H GLU A 35 7.901 -6.481 9.079 1.00 0.00 H new ATOM 0 HA GLU A 35 7.670 -3.928 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.013 -3.666 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.690 -3.983 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.853 -6.489 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.078 -5.479 9.726 1.00 0.00 H new ATOM 487 N ASP A 36 9.277 -6.122 6.228 1.00 0.00 N ATOM 488 CA ASP A 36 10.015 -6.401 5.008 1.00 0.00 C ATOM 489 C ASP A 36 9.134 -6.081 3.799 1.00 0.00 C ATOM 490 O ASP A 36 9.641 -5.771 2.722 1.00 0.00 O ATOM 491 CB ASP A 36 10.410 -7.877 4.928 1.00 0.00 C ATOM 492 CG ASP A 36 11.393 -8.224 3.809 1.00 0.00 C ATOM 493 OD1 ASP A 36 11.304 -7.565 2.750 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.213 -9.140 4.037 1.00 0.00 O ATOM 0 H ASP A 36 8.855 -6.940 6.668 1.00 0.00 H new ATOM 0 HA ASP A 36 10.915 -5.787 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.849 -8.172 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.507 -8.472 4.795 1.00 0.00 H new ATOM 499 N LEU A 37 7.830 -6.167 4.018 1.00 0.00 N ATOM 500 CA LEU A 37 6.874 -5.890 2.960 1.00 0.00 C ATOM 501 C LEU A 37 6.457 -4.420 3.027 1.00 0.00 C ATOM 502 O LEU A 37 6.054 -3.839 2.021 1.00 0.00 O ATOM 503 CB LEU A 37 5.698 -6.867 3.031 1.00 0.00 C ATOM 504 CG LEU A 37 6.027 -8.334 2.748 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.752 -9.175 2.662 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.889 -8.470 1.492 1.00 0.00 C ATOM 0 H LEU A 37 7.413 -6.425 4.913 1.00 0.00 H new ATOM 0 HA LEU A 37 7.331 -6.048 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.255 -6.800 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.938 -6.542 2.320 1.00 0.00 H new ATOM 0 HG LEU A 37 6.612 -8.720 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.014 -10.214 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.212 -9.114 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.121 -8.797 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.108 -9.523 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.352 -8.061 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.822 -7.923 1.630 1.00 0.00 H new ATOM 518 N ARG A 38 6.567 -3.861 4.223 1.00 0.00 N ATOM 519 CA ARG A 38 6.206 -2.469 4.435 1.00 0.00 C ATOM 520 C ARG A 38 7.168 -1.551 3.678 1.00 0.00 C ATOM 521 O ARG A 38 6.814 -0.996 2.639 1.00 0.00 O ATOM 522 CB ARG A 38 6.235 -2.113 5.922 1.00 0.00 C ATOM 523 CG ARG A 38 4.835 -2.199 6.534 1.00 0.00 C ATOM 524 CD ARG A 38 4.873 -2.904 7.892 1.00 0.00 C ATOM 525 NE ARG A 38 5.588 -2.065 8.878 1.00 0.00 N ATOM 526 CZ ARG A 38 5.789 -2.413 10.156 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.329 -3.587 10.611 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.450 -1.588 10.980 1.00 0.00 N ATOM 0 H ARG A 38 6.901 -4.347 5.056 1.00 0.00 H new ATOM 0 HA ARG A 38 5.192 -2.328 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.908 -2.790 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.631 -1.106 6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.423 -1.197 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.171 -2.739 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.858 -3.100 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.369 -3.870 7.796 1.00 0.00 H new ATOM 0 HE ARG A 38 5.951 -1.165 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.826 -4.215 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.482 -3.852 11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.800 -0.695 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.603 -1.854 11.953 1.00 0.00 H new ATOM 542 N THR A 39 8.365 -1.418 4.230 1.00 0.00 N ATOM 543 CA THR A 39 9.381 -0.576 3.620 1.00 0.00 C ATOM 544 C THR A 39 9.332 -0.700 2.096 1.00 0.00 C ATOM 545 O THR A 39 9.432 0.298 1.385 1.00 0.00 O ATOM 546 CB THR A 39 10.735 -0.960 4.219 1.00 0.00 C ATOM 547 OG1 THR A 39 11.502 0.238 4.141 1.00 0.00 O ATOM 548 CG2 THR A 39 11.503 -1.951 3.341 1.00 0.00 C ATOM 0 H THR A 39 8.654 -1.879 5.093 1.00 0.00 H new ATOM 0 HA THR A 39 9.203 0.478 3.834 1.00 0.00 H new ATOM 0 HB THR A 39 10.585 -1.391 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.396 0.079 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.457 -2.191 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.917 -2.863 3.223 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.683 -1.506 2.362 1.00 0.00 H new ATOM 556 N GLU A 40 9.179 -1.935 1.640 1.00 0.00 N ATOM 557 CA GLU A 40 9.116 -2.203 0.213 1.00 0.00 C ATOM 558 C GLU A 40 7.979 -1.404 -0.427 1.00 0.00 C ATOM 559 O GLU A 40 8.173 -0.754 -1.453 1.00 0.00 O ATOM 560 CB GLU A 40 8.954 -3.700 -0.057 1.00 0.00 C ATOM 561 CG GLU A 40 9.538 -4.077 -1.420 1.00 0.00 C ATOM 562 CD GLU A 40 11.064 -4.176 -1.354 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.689 -3.130 -1.076 1.00 0.00 O ATOM 564 OE2 GLU A 40 11.571 -5.295 -1.584 1.00 0.00 O ATOM 0 H GLU A 40 9.097 -2.761 2.233 1.00 0.00 H new ATOM 0 HA GLU A 40 10.056 -1.886 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.452 -4.271 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.898 -3.967 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.122 -5.030 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.250 -3.332 -2.162 1.00 0.00 H new ATOM 571 N LEU A 41 6.817 -1.479 0.205 1.00 0.00 N ATOM 572 CA LEU A 41 5.648 -0.772 -0.291 1.00 0.00 C ATOM 573 C LEU A 41 5.830 0.730 -0.059 1.00 0.00 C ATOM 574 O LEU A 41 5.585 1.534 -0.956 1.00 0.00 O ATOM 575 CB LEU A 41 4.373 -1.340 0.335 1.00 0.00 C ATOM 576 CG LEU A 41 3.067 -0.641 -0.051 1.00 0.00 C ATOM 577 CD1 LEU A 41 1.891 -1.618 -0.016 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.821 0.585 0.831 1.00 0.00 C ATOM 0 H LEU A 41 6.660 -2.019 1.056 1.00 0.00 H new ATOM 0 HA LEU A 41 5.541 -0.919 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.294 -2.392 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.476 -1.301 1.419 1.00 0.00 H new ATOM 0 HG LEU A 41 3.159 -0.286 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.976 -1.096 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.073 -2.431 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.785 -2.024 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.887 1.064 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.757 0.276 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.644 1.290 0.711 1.00 0.00 H new ATOM 590 N MET A 42 6.259 1.061 1.150 1.00 0.00 N ATOM 591 CA MET A 42 6.477 2.452 1.512 1.00 0.00 C ATOM 592 C MET A 42 7.485 3.112 0.569 1.00 0.00 C ATOM 593 O MET A 42 7.269 4.231 0.108 1.00 0.00 O ATOM 594 CB MET A 42 6.994 2.531 2.949 1.00 0.00 C ATOM 595 CG MET A 42 6.048 1.811 3.912 1.00 0.00 C ATOM 596 SD MET A 42 4.376 2.389 3.674 1.00 0.00 S ATOM 597 CE MET A 42 3.470 0.955 4.228 1.00 0.00 C ATOM 0 H MET A 42 6.462 0.390 1.891 1.00 0.00 H new ATOM 0 HA MET A 42 5.529 2.983 1.429 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.987 2.085 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.096 3.575 3.246 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.096 0.735 3.745 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.360 1.989 4.941 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.406 1.105 4.046 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.811 0.076 3.682 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.639 0.808 5.295 1.00 0.00 H new ATOM 607 N GLN A 43 8.566 2.390 0.311 1.00 0.00 N ATOM 608 CA GLN A 43 9.608 2.891 -0.568 1.00 0.00 C ATOM 609 C GLN A 43 9.145 2.838 -2.025 1.00 0.00 C ATOM 610 O GLN A 43 9.498 3.703 -2.825 1.00 0.00 O ATOM 611 CB GLN A 43 10.909 2.108 -0.378 1.00 0.00 C ATOM 612 CG GLN A 43 10.914 0.837 -1.229 1.00 0.00 C ATOM 613 CD GLN A 43 12.221 0.062 -1.050 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.604 -0.315 0.045 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.883 -0.152 -2.184 1.00 0.00 N ATOM 0 H GLN A 43 8.742 1.462 0.696 1.00 0.00 H new ATOM 0 HA GLN A 43 9.806 3.931 -0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.758 2.735 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.030 1.846 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.071 0.205 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.783 1.098 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.506 0.191 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.768 -0.659 -2.170 1.00 0.00 H new ATOM 624 N THR A 44 8.361 1.813 -2.327 1.00 0.00 N ATOM 625 CA THR A 44 7.846 1.635 -3.674 1.00 0.00 C ATOM 626 C THR A 44 6.859 2.753 -4.018 1.00 0.00 C ATOM 627 O THR A 44 7.165 3.628 -4.826 1.00 0.00 O ATOM 628 CB THR A 44 7.235 0.236 -3.766 1.00 0.00 C ATOM 629 OG1 THR A 44 8.364 -0.631 -3.841 1.00 0.00 O ATOM 630 CG2 THR A 44 6.499 0.004 -5.087 1.00 0.00 C ATOM 0 H THR A 44 8.070 1.097 -1.661 1.00 0.00 H new ATOM 0 HA THR A 44 8.642 1.706 -4.415 1.00 0.00 H new ATOM 0 HB THR A 44 6.545 0.086 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.758 -0.732 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.084 -1.004 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.692 0.730 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.196 0.121 -5.917 1.00 0.00 H new ATOM 638 N LEU A 45 5.695 2.686 -3.389 1.00 0.00 N ATOM 639 CA LEU A 45 4.662 3.681 -3.619 1.00 0.00 C ATOM 640 C LEU A 45 5.233 5.074 -3.352 1.00 0.00 C ATOM 641 O LEU A 45 4.697 6.072 -3.833 1.00 0.00 O ATOM 642 CB LEU A 45 3.415 3.359 -2.793 1.00 0.00 C ATOM 643 CG LEU A 45 2.822 1.962 -2.990 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.764 1.661 -1.927 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.273 1.795 -4.408 1.00 0.00 C ATOM 0 H LEU A 45 5.444 1.958 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 45 4.340 3.662 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.660 3.482 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.647 4.095 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 45 3.621 1.231 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.359 0.662 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.218 1.711 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.961 2.394 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.857 0.794 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.492 2.534 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.078 1.938 -5.129 1.00 0.00 H new ATOM 657 N GLY A 46 6.314 5.099 -2.585 1.00 0.00 N ATOM 658 CA GLY A 46 6.964 6.355 -2.249 1.00 0.00 C ATOM 659 C GLY A 46 7.511 7.042 -3.501 1.00 0.00 C ATOM 660 O GLY A 46 7.854 8.223 -3.466 1.00 0.00 O ATOM 0 H GLY A 46 6.756 4.270 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.254 7.014 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.777 6.171 -1.546 1.00 0.00 H new ATOM 664 N SER A 47 7.575 6.273 -4.579 1.00 0.00 N ATOM 665 CA SER A 47 8.075 6.793 -5.840 1.00 0.00 C ATOM 666 C SER A 47 6.946 7.487 -6.605 1.00 0.00 C ATOM 667 O SER A 47 7.096 8.627 -7.041 1.00 0.00 O ATOM 668 CB SER A 47 8.687 5.679 -6.692 1.00 0.00 C ATOM 669 OG SER A 47 9.788 5.053 -6.040 1.00 0.00 O ATOM 0 H SER A 47 7.289 5.294 -4.605 1.00 0.00 H new ATOM 0 HA SER A 47 8.858 7.519 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.925 4.932 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.017 6.091 -7.646 1.00 0.00 H new ATOM 0 HG SER A 47 10.150 4.347 -6.615 1.00 0.00 H new ATOM 675 N TYR A 48 5.841 6.769 -6.743 1.00 0.00 N ATOM 676 CA TYR A 48 4.686 7.301 -7.447 1.00 0.00 C ATOM 677 C TYR A 48 4.400 8.742 -7.021 1.00 0.00 C ATOM 678 O TYR A 48 4.206 9.616 -7.865 1.00 0.00 O ATOM 679 CB TYR A 48 3.503 6.419 -7.045 1.00 0.00 C ATOM 680 CG TYR A 48 3.294 5.205 -7.953 1.00 0.00 C ATOM 681 CD1 TYR A 48 4.232 4.193 -7.979 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.168 5.123 -8.747 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.035 3.051 -8.834 1.00 0.00 C ATOM 684 CE2 TYR A 48 1.971 3.982 -9.602 1.00 0.00 C ATOM 685 CZ TYR A 48 2.915 3.002 -9.604 1.00 0.00 C ATOM 686 OH TYR A 48 2.729 1.924 -10.411 1.00 0.00 O ATOM 0 H TYR A 48 5.721 5.824 -6.379 1.00 0.00 H new ATOM 0 HA TYR A 48 4.860 7.302 -8.523 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.652 6.073 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.595 7.023 -7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.113 4.257 -7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.434 5.915 -8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.760 2.251 -8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.094 3.905 -10.228 1.00 0.00 H new ATOM 0 HH TYR A 48 3.578 1.447 -10.521 1.00 0.00 H new ATOM 696 N GLY A 49 4.384 8.946 -5.712 1.00 0.00 N ATOM 697 CA GLY A 49 4.125 10.267 -5.164 1.00 0.00 C ATOM 698 C GLY A 49 5.142 10.618 -4.077 1.00 0.00 C ATOM 699 O GLY A 49 6.349 10.540 -4.302 1.00 0.00 O ATOM 0 H GLY A 49 4.546 8.219 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.168 11.010 -5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.118 10.302 -4.749 1.00 0.00 H new ATOM 703 N THR A 50 4.618 10.997 -2.920 1.00 0.00 N ATOM 704 CA THR A 50 5.465 11.361 -1.798 1.00 0.00 C ATOM 705 C THR A 50 4.785 10.998 -0.476 1.00 0.00 C ATOM 706 O THR A 50 3.732 11.542 -0.146 1.00 0.00 O ATOM 707 CB THR A 50 5.800 12.849 -1.920 1.00 0.00 C ATOM 708 OG1 THR A 50 7.157 12.865 -2.354 1.00 0.00 O ATOM 709 CG2 THR A 50 5.835 13.555 -0.563 1.00 0.00 C ATOM 0 H THR A 50 3.617 11.060 -2.736 1.00 0.00 H new ATOM 0 HA THR A 50 6.400 10.801 -1.811 1.00 0.00 H new ATOM 0 HB THR A 50 5.066 13.334 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.284 12.193 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.077 14.608 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.860 13.469 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.593 13.092 0.069 1.00 0.00 H new ATOM 717 N ILE A 51 5.414 10.082 0.245 1.00 0.00 N ATOM 718 CA ILE A 51 4.883 9.640 1.523 1.00 0.00 C ATOM 719 C ILE A 51 4.862 10.820 2.497 1.00 0.00 C ATOM 720 O ILE A 51 5.860 11.100 3.159 1.00 0.00 O ATOM 721 CB ILE A 51 5.664 8.430 2.039 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.422 7.204 1.156 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.338 8.153 3.507 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.025 6.626 1.391 1.00 0.00 C ATOM 0 H ILE A 51 6.287 9.633 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 51 3.853 9.300 1.411 1.00 0.00 H new ATOM 0 HB ILE A 51 6.728 8.661 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.534 7.479 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.174 6.444 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.906 7.288 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.603 9.022 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.272 7.951 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.879 5.756 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.925 6.330 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.275 7.380 1.154 1.00 0.00 H new ATOM 736 N VAL A 52 3.714 11.480 2.553 1.00 0.00 N ATOM 737 CA VAL A 52 3.550 12.623 3.435 1.00 0.00 C ATOM 738 C VAL A 52 3.444 12.134 4.881 1.00 0.00 C ATOM 739 O VAL A 52 3.781 12.864 5.812 1.00 0.00 O ATOM 740 CB VAL A 52 2.344 13.454 2.994 1.00 0.00 C ATOM 741 CG1 VAL A 52 1.853 14.352 4.132 1.00 0.00 C ATOM 742 CG2 VAL A 52 2.672 14.279 1.748 1.00 0.00 C ATOM 0 H VAL A 52 2.889 11.245 2.002 1.00 0.00 H new ATOM 0 HA VAL A 52 4.418 13.279 3.377 1.00 0.00 H new ATOM 0 HB VAL A 52 1.539 12.766 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.995 14.933 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.561 13.735 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.653 15.029 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.797 14.860 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.500 14.954 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.953 13.612 0.933 1.00 0.00 H new ATOM 752 N LEU A 53 2.975 10.903 5.023 1.00 0.00 N ATOM 753 CA LEU A 53 2.821 10.309 6.340 1.00 0.00 C ATOM 754 C LEU A 53 2.269 8.890 6.193 1.00 0.00 C ATOM 755 O LEU A 53 1.667 8.556 5.173 1.00 0.00 O ATOM 756 CB LEU A 53 1.970 11.210 7.238 1.00 0.00 C ATOM 757 CG LEU A 53 2.430 11.335 8.691 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.174 10.039 9.462 1.00 0.00 C ATOM 759 CD2 LEU A 53 3.896 11.767 8.767 1.00 0.00 C ATOM 0 H LEU A 53 2.697 10.301 4.248 1.00 0.00 H new ATOM 0 HA LEU A 53 3.788 10.226 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.944 12.207 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.947 10.833 7.233 1.00 0.00 H new ATOM 0 HG LEU A 53 1.839 12.116 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.511 10.156 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.107 9.814 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.721 9.222 8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.198 11.848 9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.520 11.027 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.016 12.734 8.278 1.00 0.00 H new ATOM 771 N VAL A 54 2.495 8.091 7.226 1.00 0.00 N ATOM 772 CA VAL A 54 2.028 6.715 7.224 1.00 0.00 C ATOM 773 C VAL A 54 1.320 6.420 8.548 1.00 0.00 C ATOM 774 O VAL A 54 1.650 7.008 9.577 1.00 0.00 O ATOM 775 CB VAL A 54 3.195 5.767 6.946 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.694 5.117 8.238 1.00 0.00 C ATOM 777 CG2 VAL A 54 2.806 4.707 5.913 1.00 0.00 C ATOM 0 H VAL A 54 2.995 8.370 8.070 1.00 0.00 H new ATOM 0 HA VAL A 54 1.303 6.559 6.425 1.00 0.00 H new ATOM 0 HB VAL A 54 4.013 6.356 6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.524 4.448 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.030 5.891 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.884 4.549 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.654 4.046 5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.965 4.125 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.522 5.195 4.980 1.00 0.00 H new ATOM 787 N ARG A 55 0.360 5.509 8.479 1.00 0.00 N ATOM 788 CA ARG A 55 -0.396 5.128 9.660 1.00 0.00 C ATOM 789 C ARG A 55 -0.892 3.687 9.531 1.00 0.00 C ATOM 790 O ARG A 55 -1.815 3.410 8.766 1.00 0.00 O ATOM 791 CB ARG A 55 -1.595 6.056 9.868 1.00 0.00 C ATOM 792 CG ARG A 55 -2.050 6.044 11.329 1.00 0.00 C ATOM 793 CD ARG A 55 -3.576 5.984 11.427 1.00 0.00 C ATOM 794 NE ARG A 55 -3.984 5.770 12.834 1.00 0.00 N ATOM 795 CZ ARG A 55 -5.238 5.918 13.283 1.00 0.00 C ATOM 796 NH1 ARG A 55 -6.214 6.281 12.439 1.00 0.00 N ATOM 797 NH2 ARG A 55 -5.516 5.703 14.576 1.00 0.00 N ATOM 0 H ARG A 55 0.089 5.024 7.624 1.00 0.00 H new ATOM 0 HA ARG A 55 0.268 5.211 10.520 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.329 7.071 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.417 5.743 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.615 5.186 11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.684 6.937 11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.010 6.910 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.958 5.177 10.802 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.266 5.493 13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.002 6.445 11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.168 6.394 12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.773 5.427 15.218 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.470 5.816 14.918 1.00 0.00 H new ATOM 811 N ILE A 56 -0.257 2.806 10.290 1.00 0.00 N ATOM 812 CA ILE A 56 -0.622 1.400 10.270 1.00 0.00 C ATOM 813 C ILE A 56 -1.709 1.144 11.316 1.00 0.00 C ATOM 814 O ILE A 56 -1.627 1.645 12.437 1.00 0.00 O ATOM 815 CB ILE A 56 0.619 0.522 10.446 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.374 0.369 9.124 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.251 -0.832 11.056 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.394 -0.769 9.204 1.00 0.00 C ATOM 0 H ILE A 56 0.508 3.039 10.923 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.042 1.130 9.301 1.00 0.00 H new ATOM 0 HB ILE A 56 1.292 1.018 11.146 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.667 0.173 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.883 1.302 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.151 -1.436 11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.209 -0.678 12.032 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.451 -1.347 10.401 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.917 -0.857 8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.114 -0.558 9.995 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.879 -1.704 9.423 1.00 0.00 H new ATOM 830 N ASN A 57 -2.702 0.366 10.913 1.00 0.00 N ATOM 831 CA ASN A 57 -3.804 0.038 11.801 1.00 0.00 C ATOM 832 C ASN A 57 -3.604 -1.373 12.356 1.00 0.00 C ATOM 833 O ASN A 57 -3.012 -2.225 11.696 1.00 0.00 O ATOM 834 CB ASN A 57 -5.140 0.068 11.055 1.00 0.00 C ATOM 835 CG ASN A 57 -6.113 1.049 11.712 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.796 2.198 11.972 1.00 0.00 O ATOM 837 ND2 ASN A 57 -7.313 0.533 11.965 1.00 0.00 N ATOM 0 H ASN A 57 -2.767 -0.047 9.983 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.822 0.776 12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.974 0.355 10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.577 -0.931 11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.033 1.108 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.513 -0.437 11.722 1.00 0.00 H new ATOM 844 N GLN A 58 -4.109 -1.577 13.564 1.00 0.00 N ATOM 845 CA GLN A 58 -3.993 -2.871 14.215 1.00 0.00 C ATOM 846 C GLN A 58 -3.864 -3.981 13.170 1.00 0.00 C ATOM 847 O GLN A 58 -2.952 -4.804 13.243 1.00 0.00 O ATOM 848 CB GLN A 58 -5.182 -3.126 15.143 1.00 0.00 C ATOM 849 CG GLN A 58 -4.914 -2.569 16.543 1.00 0.00 C ATOM 850 CD GLN A 58 -5.366 -1.110 16.648 1.00 0.00 C ATOM 851 OE1 GLN A 58 -6.084 -0.594 15.808 1.00 0.00 O ATOM 852 NE2 GLN A 58 -4.905 -0.478 17.723 1.00 0.00 N ATOM 0 H GLN A 58 -4.599 -0.868 14.109 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.091 -2.869 14.827 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.077 -2.663 14.729 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.377 -4.197 15.205 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.440 -3.171 17.285 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.850 -2.641 16.770 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.308 -0.970 18.387 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.149 0.499 17.884 1.00 0.00 H new ATOM 861 N GLY A 59 -4.791 -3.969 12.223 1.00 0.00 N ATOM 862 CA GLY A 59 -4.793 -4.965 11.165 1.00 0.00 C ATOM 863 C GLY A 59 -5.024 -4.314 9.800 1.00 0.00 C ATOM 864 O GLY A 59 -5.912 -4.726 9.055 1.00 0.00 O ATOM 0 H GLY A 59 -5.546 -3.285 12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.843 -5.499 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.572 -5.703 11.357 1.00 0.00 H new ATOM 868 N GLN A 60 -4.210 -3.309 9.514 1.00 0.00 N ATOM 869 CA GLN A 60 -4.315 -2.597 8.251 1.00 0.00 C ATOM 870 C GLN A 60 -3.134 -1.640 8.082 1.00 0.00 C ATOM 871 O GLN A 60 -2.330 -1.473 8.997 1.00 0.00 O ATOM 872 CB GLN A 60 -5.646 -1.849 8.153 1.00 0.00 C ATOM 873 CG GLN A 60 -6.165 -1.840 6.713 1.00 0.00 C ATOM 874 CD GLN A 60 -7.685 -1.674 6.680 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.216 -0.575 6.681 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.354 -2.823 6.649 1.00 0.00 N ATOM 0 H GLN A 60 -3.475 -2.970 10.135 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.285 -3.326 7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.381 -2.320 8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.519 -0.825 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.695 -1.028 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.886 -2.769 6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.847 -3.708 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.374 -2.819 6.624 1.00 0.00 H new ATOM 885 N MET A 61 -3.067 -1.036 6.904 1.00 0.00 N ATOM 886 CA MET A 61 -1.997 -0.100 6.603 1.00 0.00 C ATOM 887 C MET A 61 -2.520 1.087 5.791 1.00 0.00 C ATOM 888 O MET A 61 -2.898 0.932 4.631 1.00 0.00 O ATOM 889 CB MET A 61 -0.900 -0.816 5.813 1.00 0.00 C ATOM 890 CG MET A 61 0.332 0.078 5.653 1.00 0.00 C ATOM 891 SD MET A 61 1.809 -0.840 6.059 1.00 0.00 S ATOM 892 CE MET A 61 2.209 -1.508 4.453 1.00 0.00 C ATOM 0 H MET A 61 -3.736 -1.177 6.147 1.00 0.00 H new ATOM 0 HA MET A 61 -1.593 0.277 7.543 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.621 -1.738 6.324 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.279 -1.098 4.831 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.393 0.447 4.629 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.246 0.950 6.302 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.290 -1.619 4.364 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.734 -2.482 4.335 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.848 -0.832 3.678 1.00 0.00 H new ATOM 902 N LEU A 62 -2.525 2.246 6.433 1.00 0.00 N ATOM 903 CA LEU A 62 -2.995 3.458 5.785 1.00 0.00 C ATOM 904 C LEU A 62 -1.794 4.330 5.412 1.00 0.00 C ATOM 905 O LEU A 62 -1.064 4.796 6.286 1.00 0.00 O ATOM 906 CB LEU A 62 -4.023 4.172 6.666 1.00 0.00 C ATOM 907 CG LEU A 62 -5.403 3.517 6.751 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.575 2.772 8.076 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.513 4.546 6.522 1.00 0.00 C ATOM 0 H LEU A 62 -2.211 2.371 7.395 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.515 3.217 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.617 4.249 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.148 5.189 6.294 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.481 2.777 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.564 2.316 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.814 1.996 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.469 3.473 8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.484 4.055 6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.449 5.326 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.398 4.992 5.534 1.00 0.00 H new ATOM 921 N VAL A 63 -1.626 4.524 4.112 1.00 0.00 N ATOM 922 CA VAL A 63 -0.527 5.332 3.612 1.00 0.00 C ATOM 923 C VAL A 63 -1.061 6.696 3.171 1.00 0.00 C ATOM 924 O VAL A 63 -2.068 6.775 2.468 1.00 0.00 O ATOM 925 CB VAL A 63 0.204 4.586 2.493 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.250 5.483 1.828 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.840 3.297 3.018 1.00 0.00 C ATOM 0 H VAL A 63 -2.233 4.135 3.390 1.00 0.00 H new ATOM 0 HA VAL A 63 0.205 5.509 4.400 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.531 4.312 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.755 4.929 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.760 6.359 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.981 5.802 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.353 2.786 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.557 3.538 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.064 2.647 3.422 1.00 0.00 H new ATOM 937 N THR A 64 -0.363 7.737 3.601 1.00 0.00 N ATOM 938 CA THR A 64 -0.754 9.094 3.260 1.00 0.00 C ATOM 939 C THR A 64 0.217 9.688 2.238 1.00 0.00 C ATOM 940 O THR A 64 1.417 9.424 2.291 1.00 0.00 O ATOM 941 CB THR A 64 -0.841 9.901 4.557 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.559 9.051 5.447 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.734 11.136 4.419 1.00 0.00 C ATOM 0 H THR A 64 0.472 7.668 4.183 1.00 0.00 H new ATOM 0 HA THR A 64 -1.733 9.115 2.781 1.00 0.00 H new ATOM 0 HB THR A 64 0.159 10.209 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.514 9.081 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.761 11.673 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.334 11.789 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.743 10.827 4.148 1.00 0.00 H new ATOM 951 N PHE A 65 -0.338 10.479 1.332 1.00 0.00 N ATOM 952 CA PHE A 65 0.464 11.113 0.300 1.00 0.00 C ATOM 953 C PHE A 65 0.176 12.614 0.225 1.00 0.00 C ATOM 954 O PHE A 65 -0.636 13.132 0.990 1.00 0.00 O ATOM 955 CB PHE A 65 0.075 10.464 -1.030 1.00 0.00 C ATOM 956 CG PHE A 65 0.588 9.033 -1.197 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.922 8.776 -1.131 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.289 8.016 -1.413 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.399 7.448 -1.287 1.00 0.00 C ATOM 960 CE2 PHE A 65 0.187 6.688 -1.568 1.00 0.00 C ATOM 961 CZ PHE A 65 1.521 6.431 -1.502 1.00 0.00 C ATOM 0 H PHE A 65 -1.334 10.695 1.291 1.00 0.00 H new ATOM 0 HA PHE A 65 1.524 10.985 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.011 10.462 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.460 11.075 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.619 9.583 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.348 8.219 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.458 7.245 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.510 5.881 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.883 5.420 -1.620 1.00 0.00 H new ATOM 971 N ALA A 66 0.856 13.269 -0.703 1.00 0.00 N ATOM 972 CA ALA A 66 0.683 14.700 -0.888 1.00 0.00 C ATOM 973 C ALA A 66 -0.318 14.947 -2.018 1.00 0.00 C ATOM 974 O ALA A 66 -1.218 15.776 -1.886 1.00 0.00 O ATOM 975 CB ALA A 66 2.042 15.348 -1.161 1.00 0.00 C ATOM 0 H ALA A 66 1.528 12.835 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 66 0.279 15.157 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.912 16.421 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.707 15.169 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.477 14.916 -2.062 1.00 0.00 H new ATOM 981 N ASP A 67 -0.129 14.212 -3.105 1.00 0.00 N ATOM 982 CA ASP A 67 -1.004 14.341 -4.257 1.00 0.00 C ATOM 983 C ASP A 67 -2.093 13.268 -4.188 1.00 0.00 C ATOM 984 O ASP A 67 -1.916 12.240 -3.535 1.00 0.00 O ATOM 985 CB ASP A 67 -0.229 14.144 -5.562 1.00 0.00 C ATOM 986 CG ASP A 67 0.787 15.241 -5.882 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.914 15.144 -5.349 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.415 16.153 -6.652 1.00 0.00 O ATOM 0 H ASP A 67 0.618 13.525 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.437 15.341 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.293 13.188 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.942 14.079 -6.384 1.00 0.00 H new ATOM 993 N SER A 68 -3.195 13.544 -4.869 1.00 0.00 N ATOM 994 CA SER A 68 -4.313 12.615 -4.892 1.00 0.00 C ATOM 995 C SER A 68 -4.199 11.691 -6.106 1.00 0.00 C ATOM 996 O SER A 68 -4.351 10.476 -5.982 1.00 0.00 O ATOM 997 CB SER A 68 -5.648 13.361 -4.917 1.00 0.00 C ATOM 998 OG SER A 68 -5.858 14.039 -6.153 1.00 0.00 O ATOM 0 H SER A 68 -3.338 14.397 -5.409 1.00 0.00 H new ATOM 0 HA SER A 68 -4.279 12.016 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.461 12.655 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.676 14.081 -4.099 1.00 0.00 H new ATOM 0 HG SER A 68 -6.722 14.502 -6.130 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.933 12.300 -7.252 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.797 11.547 -8.486 1.00 0.00 C ATOM 1006 C HIS A 69 -2.957 10.293 -8.233 1.00 0.00 C ATOM 1007 O HIS A 69 -3.286 9.212 -8.720 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.227 12.427 -9.600 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.782 13.831 -9.618 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.052 14.920 -10.063 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -5.002 14.312 -9.243 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.809 16.002 -9.955 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -5.016 15.624 -9.446 1.00 0.00 N ATOM 0 H HIS A 69 -3.808 13.307 -7.351 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.780 11.221 -8.827 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.144 12.477 -9.491 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.429 11.955 -10.561 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.818 13.725 -8.848 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.520 17.008 -10.223 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.801 16.247 -9.253 1.00 0.00 H new ATOM 1021 N SER A 70 -1.889 10.479 -7.472 1.00 0.00 N ATOM 1022 CA SER A 70 -0.999 9.377 -7.147 1.00 0.00 C ATOM 1023 C SER A 70 -1.806 8.197 -6.602 1.00 0.00 C ATOM 1024 O SER A 70 -1.835 7.127 -7.208 1.00 0.00 O ATOM 1025 CB SER A 70 0.064 9.807 -6.135 1.00 0.00 C ATOM 1026 OG SER A 70 1.331 10.024 -6.750 1.00 0.00 O ATOM 0 H SER A 70 -1.619 11.377 -7.071 1.00 0.00 H new ATOM 0 HA SER A 70 -0.488 9.069 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.259 10.721 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.161 9.042 -5.365 1.00 0.00 H new ATOM 0 HG SER A 70 1.755 10.815 -6.356 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.441 8.431 -5.463 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.245 7.401 -4.829 1.00 0.00 C ATOM 1034 C ALA A 71 -4.092 6.696 -5.890 1.00 0.00 C ATOM 1035 O ALA A 71 -4.228 5.474 -5.870 1.00 0.00 O ATOM 1036 CB ALA A 71 -4.098 8.027 -3.723 1.00 0.00 C ATOM 0 H ALA A 71 -2.415 9.320 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.608 6.649 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.701 7.254 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.448 8.489 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.753 8.785 -4.153 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.641 7.498 -6.792 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.471 6.966 -7.859 1.00 0.00 C ATOM 1044 C LEU A 72 -4.680 5.913 -8.638 1.00 0.00 C ATOM 1045 O LEU A 72 -5.129 4.777 -8.785 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.012 8.100 -8.732 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.468 7.963 -9.182 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.820 9.023 -10.228 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -7.757 6.547 -9.683 1.00 0.00 C ATOM 0 H LEU A 72 -4.527 8.512 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.348 6.466 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.909 9.036 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.384 8.180 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.110 8.136 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.860 8.904 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.678 10.016 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.173 8.905 -11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.799 6.477 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.108 6.321 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.571 5.832 -8.881 1.00 0.00 H new ATOM 1061 N SER A 73 -3.516 6.328 -9.117 1.00 0.00 N ATOM 1062 CA SER A 73 -2.659 5.435 -9.877 1.00 0.00 C ATOM 1063 C SER A 73 -2.190 4.279 -8.991 1.00 0.00 C ATOM 1064 O SER A 73 -2.103 3.139 -9.446 1.00 0.00 O ATOM 1065 CB SER A 73 -1.455 6.184 -10.453 1.00 0.00 C ATOM 1066 OG SER A 73 -1.580 6.397 -11.856 1.00 0.00 O ATOM 0 H SER A 73 -3.147 7.271 -8.993 1.00 0.00 H new ATOM 0 HA SER A 73 -3.237 5.035 -10.710 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.350 7.145 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.546 5.618 -10.252 1.00 0.00 H new ATOM 0 HG SER A 73 -0.793 6.879 -12.185 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.901 4.613 -7.742 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.443 3.617 -6.788 1.00 0.00 C ATOM 1074 C VAL A 74 -2.593 2.661 -6.464 1.00 0.00 C ATOM 1075 O VAL A 74 -2.365 1.536 -6.023 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.870 4.305 -5.548 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.449 3.276 -4.496 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.298 5.220 -5.919 1.00 0.00 C ATOM 0 H VAL A 74 -1.975 5.559 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.636 3.022 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.655 4.925 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.045 3.791 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.315 2.684 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.313 2.619 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.687 5.697 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.087 4.631 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.046 5.985 -6.615 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.805 3.144 -6.697 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.991 2.347 -6.435 1.00 0.00 C ATOM 1090 C LEU A 75 -5.246 1.415 -7.622 1.00 0.00 C ATOM 1091 O LEU A 75 -5.918 0.394 -7.481 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.179 3.249 -6.096 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.221 3.794 -4.667 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.174 4.986 -4.562 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.574 2.689 -3.669 1.00 0.00 C ATOM 0 H LEU A 75 -3.991 4.077 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.840 1.716 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.177 4.093 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.097 2.691 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.225 4.155 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.185 5.354 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.838 5.780 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.179 4.674 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.597 3.103 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.553 2.276 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.824 1.900 -3.720 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.696 1.799 -8.764 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.855 1.011 -9.974 1.00 0.00 C ATOM 1109 C ASP A 76 -3.712 -0.001 -10.072 1.00 0.00 C ATOM 1110 O ASP A 76 -3.949 -1.196 -10.241 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.810 1.898 -11.219 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.132 2.014 -11.980 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.902 2.938 -11.643 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.343 1.174 -12.882 1.00 0.00 O ATOM 0 H ASP A 76 -4.139 2.646 -8.877 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.821 0.509 -9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.490 2.897 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.051 1.508 -11.897 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.497 0.515 -9.962 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.316 -0.329 -10.037 1.00 0.00 C ATOM 1121 C VAL A 77 -1.304 -1.289 -8.845 1.00 0.00 C ATOM 1122 O VAL A 77 -0.578 -2.281 -8.850 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.058 0.538 -10.119 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.156 1.318 -8.820 1.00 0.00 C ATOM 1125 CG2 VAL A 77 1.170 -0.310 -10.458 1.00 0.00 C ATOM 0 H VAL A 77 -2.304 1.507 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.336 -0.935 -10.943 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.200 1.260 -10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.057 1.926 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.703 1.965 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.267 0.620 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.051 0.330 -10.510 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.315 -1.065 -9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.020 -0.800 -11.420 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.117 -0.958 -7.852 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.210 -1.779 -6.657 1.00 0.00 C ATOM 1137 C ASP A 78 -2.253 -3.254 -7.058 1.00 0.00 C ATOM 1138 O ASP A 78 -1.677 -4.103 -6.379 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.484 -1.465 -5.871 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.742 -2.184 -6.363 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -5.099 -1.961 -7.540 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.317 -2.942 -5.552 1.00 0.00 O ATOM 0 H ASP A 78 -2.717 -0.133 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.341 -1.567 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.321 -1.725 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.660 -0.390 -5.908 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.942 -3.516 -8.159 1.00 0.00 N ATOM 1148 CA GLY A 79 -3.068 -4.874 -8.658 1.00 0.00 C ATOM 1149 C GLY A 79 -1.715 -5.588 -8.652 1.00 0.00 C ATOM 1150 O GLY A 79 -1.656 -6.813 -8.556 1.00 0.00 O ATOM 0 H GLY A 79 -3.419 -2.810 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.778 -5.427 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.470 -4.857 -9.671 1.00 0.00 H new ATOM 1154 N MET A 80 -0.661 -4.792 -8.755 1.00 0.00 N ATOM 1155 CA MET A 80 0.688 -5.333 -8.762 1.00 0.00 C ATOM 1156 C MET A 80 0.897 -6.300 -7.596 1.00 0.00 C ATOM 1157 O MET A 80 0.029 -6.436 -6.734 1.00 0.00 O ATOM 1158 CB MET A 80 1.698 -4.188 -8.664 1.00 0.00 C ATOM 1159 CG MET A 80 1.504 -3.396 -7.369 1.00 0.00 C ATOM 1160 SD MET A 80 2.075 -1.719 -7.588 1.00 0.00 S ATOM 1161 CE MET A 80 1.997 -1.142 -5.901 1.00 0.00 C ATOM 0 H MET A 80 -0.714 -3.776 -8.834 1.00 0.00 H new ATOM 0 HA MET A 80 0.835 -5.880 -9.693 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.711 -4.588 -8.702 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.585 -3.524 -9.521 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.451 -3.397 -7.087 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.052 -3.872 -6.556 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.915 -0.607 -5.657 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.145 -0.473 -5.784 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.884 -1.994 -5.230 1.00 0.00 H new ATOM 1171 N LYS A 81 2.052 -6.948 -7.606 1.00 0.00 N ATOM 1172 CA LYS A 81 2.386 -7.899 -6.559 1.00 0.00 C ATOM 1173 C LYS A 81 3.718 -7.500 -5.919 1.00 0.00 C ATOM 1174 O LYS A 81 4.614 -7.005 -6.601 1.00 0.00 O ATOM 1175 CB LYS A 81 2.371 -9.327 -7.107 1.00 0.00 C ATOM 1176 CG LYS A 81 0.938 -9.814 -7.331 1.00 0.00 C ATOM 1177 CD LYS A 81 0.711 -10.197 -8.795 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.489 -11.135 -8.936 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.201 -12.199 -9.925 1.00 0.00 N ATOM 0 H LYS A 81 2.769 -6.833 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 81 1.634 -7.877 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.923 -9.366 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.880 -9.993 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.738 -10.674 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.235 -9.032 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.546 -9.298 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.604 -10.681 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.724 -11.582 -7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.367 -10.568 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.026 -12.827 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.001 -11.768 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.624 -12.750 -9.612 1.00 0.00 H new ATOM 1193 N VAL A 82 3.805 -7.730 -4.617 1.00 0.00 N ATOM 1194 CA VAL A 82 5.011 -7.401 -3.878 1.00 0.00 C ATOM 1195 C VAL A 82 5.643 -8.687 -3.342 1.00 0.00 C ATOM 1196 O VAL A 82 4.995 -9.450 -2.627 1.00 0.00 O ATOM 1197 CB VAL A 82 4.691 -6.388 -2.777 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.932 -6.078 -1.938 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.093 -5.108 -3.365 1.00 0.00 C ATOM 0 H VAL A 82 3.059 -8.140 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 82 5.743 -6.928 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 82 3.945 -6.834 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.676 -5.355 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.296 -6.995 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.710 -5.663 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.875 -4.405 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.805 -4.658 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.172 -5.348 -3.897 1.00 0.00 H new ATOM 1209 N LYS A 83 6.900 -8.888 -3.708 1.00 0.00 N ATOM 1210 CA LYS A 83 7.627 -10.069 -3.273 1.00 0.00 C ATOM 1211 C LYS A 83 6.913 -11.320 -3.789 1.00 0.00 C ATOM 1212 O LYS A 83 7.153 -12.422 -3.299 1.00 0.00 O ATOM 1213 CB LYS A 83 7.817 -10.052 -1.755 1.00 0.00 C ATOM 1214 CG LYS A 83 9.263 -10.383 -1.380 1.00 0.00 C ATOM 1215 CD LYS A 83 9.641 -9.748 -0.040 1.00 0.00 C ATOM 1216 CE LYS A 83 9.791 -10.812 1.048 1.00 0.00 C ATOM 1217 NZ LYS A 83 10.959 -11.678 0.769 1.00 0.00 N ATOM 0 H LYS A 83 7.434 -8.253 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 83 8.631 -10.076 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.551 -9.070 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.143 -10.773 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.389 -11.464 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.936 -10.024 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.575 -9.197 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.877 -9.028 0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.910 -10.333 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.886 -11.417 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.306 -12.090 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.678 -12.441 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.714 -11.112 0.332 1.00 0.00 H new ATOM 1231 N GLY A 84 6.051 -11.107 -4.772 1.00 0.00 N ATOM 1232 CA GLY A 84 5.301 -12.204 -5.360 1.00 0.00 C ATOM 1233 C GLY A 84 3.905 -12.307 -4.742 1.00 0.00 C ATOM 1234 O GLY A 84 3.032 -12.987 -5.281 1.00 0.00 O ATOM 0 H GLY A 84 5.855 -10.191 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.216 -12.055 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.839 -13.140 -5.209 1.00 0.00 H new ATOM 1238 N ARG A 85 3.737 -11.622 -3.621 1.00 0.00 N ATOM 1239 CA ARG A 85 2.461 -11.628 -2.924 1.00 0.00 C ATOM 1240 C ARG A 85 1.511 -10.605 -3.549 1.00 0.00 C ATOM 1241 O ARG A 85 1.897 -9.464 -3.797 1.00 0.00 O ATOM 1242 CB ARG A 85 2.643 -11.305 -1.440 1.00 0.00 C ATOM 1243 CG ARG A 85 2.976 -12.567 -0.641 1.00 0.00 C ATOM 1244 CD ARG A 85 1.732 -13.117 0.059 1.00 0.00 C ATOM 1245 NE ARG A 85 1.704 -14.593 -0.043 1.00 0.00 N ATOM 1246 CZ ARG A 85 1.194 -15.264 -1.084 1.00 0.00 C ATOM 1247 NH1 ARG A 85 0.667 -14.596 -2.119 1.00 0.00 N ATOM 1248 NH2 ARG A 85 1.212 -16.604 -1.091 1.00 0.00 N ATOM 0 H ARG A 85 4.463 -11.059 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 85 2.036 -12.628 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.441 -10.572 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.732 -10.852 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.388 -13.325 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.744 -12.341 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.732 -12.817 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.834 -12.696 -0.393 1.00 0.00 H new ATOM 0 HE ARG A 85 2.098 -15.133 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.654 -13.576 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.279 -15.107 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.614 -17.113 -0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.824 -17.115 -1.884 1.00 0.00 H new ATOM 1262 N ALA A 86 0.285 -11.050 -3.785 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.723 -10.187 -4.376 1.00 0.00 C ATOM 1264 C ALA A 86 -1.190 -9.168 -3.335 1.00 0.00 C ATOM 1265 O ALA A 86 -1.764 -9.539 -2.312 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.874 -11.040 -4.913 1.00 0.00 C ATOM 0 H ALA A 86 -0.033 -11.997 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.308 -9.632 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.631 -10.393 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.495 -11.727 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.317 -11.609 -4.096 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.926 -7.904 -3.631 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.312 -6.829 -2.733 1.00 0.00 C ATOM 1274 C VAL A 87 -2.604 -6.185 -3.241 1.00 0.00 C ATOM 1275 O VAL A 87 -2.974 -6.359 -4.401 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.162 -5.829 -2.589 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.500 -5.557 -3.941 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.644 -4.529 -1.943 1.00 0.00 C ATOM 0 H VAL A 87 -0.449 -7.600 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.513 -7.219 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 87 0.587 -6.272 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.314 -4.843 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.896 -6.488 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.237 -5.145 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.192 -3.836 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.421 -4.081 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.047 -4.742 -0.953 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.254 -5.454 -2.347 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.497 -4.783 -2.690 1.00 0.00 C ATOM 1290 C LYS A 88 -4.558 -3.434 -1.972 1.00 0.00 C ATOM 1291 O LYS A 88 -4.464 -3.374 -0.747 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.693 -5.690 -2.397 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.880 -5.339 -3.297 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.540 -6.603 -3.852 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.060 -6.546 -3.687 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.695 -7.722 -4.323 1.00 0.00 N ATOM 0 H LYS A 88 -2.943 -5.312 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.537 -4.577 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.411 -6.731 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.983 -5.590 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.611 -4.761 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.543 -4.709 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.289 -6.715 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.147 -7.479 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.316 -6.516 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.446 -5.630 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.726 -7.668 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.466 -7.734 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.340 -8.592 -3.877 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.715 -2.384 -2.765 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.789 -1.039 -2.220 1.00 0.00 C ATOM 1312 C ILE A 89 -6.184 -0.465 -2.480 1.00 0.00 C ATOM 1313 O ILE A 89 -6.626 -0.396 -3.626 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.655 -0.174 -2.772 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.307 -0.884 -2.636 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.645 1.206 -2.110 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.338 -0.436 -3.732 1.00 0.00 C ATOM 0 H ILE A 89 -4.793 -2.438 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.647 -1.057 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.832 -0.019 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.877 -0.672 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.453 -1.963 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.829 1.801 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.593 1.709 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.506 1.093 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.388 -0.956 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.760 -0.672 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.175 0.639 -3.657 1.00 0.00 H new ATOM 1329 N SER A 90 -6.837 -0.068 -1.398 1.00 0.00 N ATOM 1330 CA SER A 90 -8.171 0.498 -1.495 1.00 0.00 C ATOM 1331 C SER A 90 -8.260 1.775 -0.657 1.00 0.00 C ATOM 1332 O SER A 90 -7.239 2.330 -0.253 1.00 0.00 O ATOM 1333 CB SER A 90 -9.231 -0.509 -1.042 1.00 0.00 C ATOM 1334 OG SER A 90 -10.366 -0.512 -1.904 1.00 0.00 O ATOM 0 H SER A 90 -6.467 -0.127 -0.449 1.00 0.00 H new ATOM 0 HA SER A 90 -8.364 0.742 -2.540 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.794 -1.507 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.547 -0.271 -0.027 1.00 0.00 H new ATOM 0 HG SER A 90 -11.019 -1.168 -1.583 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.491 2.205 -0.419 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.727 3.406 0.364 1.00 0.00 C ATOM 1342 C GLY A 91 -10.098 3.056 1.806 1.00 0.00 C ATOM 1343 O GLY A 91 -9.779 1.970 2.287 1.00 0.00 O ATOM 0 H GLY A 91 -10.336 1.743 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.834 4.031 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.528 3.989 -0.090 1.00 0.00 H new ATOM 1347 N PRO A 92 -10.784 4.022 2.474 1.00 0.00 N ATOM 1348 CA PRO A 92 -11.202 3.827 3.852 1.00 0.00 C ATOM 1349 C PRO A 92 -12.396 2.874 3.933 1.00 0.00 C ATOM 1350 O PRO A 92 -12.711 2.184 2.964 1.00 0.00 O ATOM 1351 CB PRO A 92 -11.518 5.221 4.368 1.00 0.00 C ATOM 1352 CG PRO A 92 -11.713 6.088 3.134 1.00 0.00 C ATOM 1353 CD PRO A 92 -11.178 5.321 1.936 1.00 0.00 C ATOM 0 HA PRO A 92 -10.432 3.356 4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.416 5.214 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.706 5.601 4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.768 6.324 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.187 7.036 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.938 5.215 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.331 5.835 1.483 1.00 0.00 H new ATOM 1361 N SER A 93 -13.028 2.867 5.097 1.00 0.00 N ATOM 1362 CA SER A 93 -14.181 2.011 5.317 1.00 0.00 C ATOM 1363 C SER A 93 -15.301 2.380 4.342 1.00 0.00 C ATOM 1364 O SER A 93 -15.322 3.486 3.806 1.00 0.00 O ATOM 1365 CB SER A 93 -14.678 2.115 6.760 1.00 0.00 C ATOM 1366 OG SER A 93 -14.826 0.835 7.368 1.00 0.00 O ATOM 0 H SER A 93 -12.763 3.441 5.898 1.00 0.00 H new ATOM 0 HA SER A 93 -13.879 0.979 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.978 2.714 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.635 2.637 6.777 1.00 0.00 H new ATOM 0 HG SER A 93 -15.143 0.945 8.289 1.00 0.00 H new ATOM 1372 N SER A 94 -16.205 1.432 4.143 1.00 0.00 N ATOM 1373 CA SER A 94 -17.326 1.643 3.242 1.00 0.00 C ATOM 1374 C SER A 94 -16.814 2.009 1.848 1.00 0.00 C ATOM 1375 O SER A 94 -15.657 2.396 1.689 1.00 0.00 O ATOM 1376 CB SER A 94 -18.257 2.736 3.770 1.00 0.00 C ATOM 1377 OG SER A 94 -19.624 2.459 3.479 1.00 0.00 O ATOM 0 H SER A 94 -16.184 0.516 4.590 1.00 0.00 H new ATOM 0 HA SER A 94 -17.896 0.716 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.128 2.832 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.979 3.693 3.329 1.00 0.00 H new ATOM 0 HG SER A 94 -20.186 3.179 3.834 1.00 0.00 H new ATOM 1383 N GLY A 95 -17.701 1.874 0.873 1.00 0.00 N ATOM 1384 CA GLY A 95 -17.353 2.185 -0.503 1.00 0.00 C ATOM 1385 C GLY A 95 -17.196 3.694 -0.701 1.00 0.00 C ATOM 1386 O GLY A 95 -16.536 4.362 0.093 1.00 0.00 O ATOM 0 H GLY A 95 -18.660 1.554 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -16.424 1.681 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.125 1.805 -1.172 1.00 0.00 H new TER 1390 GLY A 95