USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 815 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 64 HIS : no HE2:sc= -0.195 X(o=-0.41,f=-0.55) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.214 K(o=-0.41,f=-1.2!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -164:sc= -0.111 (180deg=-0.64) USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.0194 X(o=-0.13,f=-0.46) USER MOD Set 3.1: A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -162:sc= -0.012 (180deg=-0.297) USER MOD Single : A 4 SER OG : rot 180:sc= -0.685 USER MOD Single : A 7 SER OG : rot 152:sc= -2.22! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.158 (180deg=-0.928) USER MOD Single : A 17 SER OG : rot -54:sc= 1.08 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 17:sc= 0.0271 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 0.981 (180deg=0.751) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -150:sc= 0.0291 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.662 (180deg=-0.884) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.87) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -133:sc= -3.81! (180deg=-4.95!) USER MOD Single : A 54 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.33) USER MOD Single : A 56 ASN : amide:sc= -0.426 K(o=-0.43,f=-1.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -127:sc= -0.427 (180deg=-6.22!) USER MOD Single : A 71 TYR OH : rot -149:sc= -1.42! USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 79 ASN : amide:sc= -1.63! C(o=-1.6!,f=-9.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 153:sc= -1.86! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.019 USER MOD Single : A 93 MET CE :methyl -166:sc= -0.709 (180deg=-1.02) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.015) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.847 21.517 -8.317 1.00 0.00 N ATOM 2 CA ARG A 1 2.911 20.223 -7.582 1.00 0.00 C ATOM 3 C ARG A 1 4.270 20.088 -6.893 1.00 0.00 C ATOM 4 O ARG A 1 5.302 20.433 -7.465 1.00 0.00 O ATOM 5 CB ARG A 1 2.704 19.073 -8.570 1.00 0.00 C ATOM 6 CG ARG A 1 1.241 19.047 -9.017 1.00 0.00 C ATOM 7 CD ARG A 1 1.033 17.937 -10.048 1.00 0.00 C ATOM 8 NE ARG A 1 -0.374 17.863 -10.425 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.778 17.113 -11.445 1.00 0.00 C ATOM 10 NH1 ARG A 1 0.093 16.444 -12.150 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.047 17.049 -11.742 1.00 0.00 N ATOM 0 H1 ARG A 1 1.855 21.751 -8.522 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.266 22.269 -7.733 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.375 21.436 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 1 2.129 20.191 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.358 19.198 -9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.970 18.125 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.592 18.883 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.965 20.010 -9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.644 18.129 -10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.358 16.982 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.062 18.398 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.085 16.496 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.218 15.869 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.727 17.574 -11.192 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.359 16.474 -12.524 1.00 0.00 H new ATOM 25 N GLU A 2 4.254 19.584 -5.657 1.00 0.00 N ATOM 26 CA GLU A 2 5.481 19.397 -4.872 1.00 0.00 C ATOM 27 C GLU A 2 5.500 17.994 -4.264 1.00 0.00 C ATOM 28 O GLU A 2 5.121 17.810 -3.108 1.00 0.00 O ATOM 29 CB GLU A 2 5.530 20.433 -3.745 1.00 0.00 C ATOM 30 CG GLU A 2 5.717 21.829 -4.344 1.00 0.00 C ATOM 31 CD GLU A 2 5.859 22.859 -3.228 1.00 0.00 C ATOM 32 OE1 GLU A 2 6.789 22.735 -2.449 1.00 0.00 O ATOM 33 OE2 GLU A 2 5.034 23.755 -3.170 1.00 0.00 O ATOM 0 H GLU A 2 3.402 19.296 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 2 6.344 19.521 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.610 20.396 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.349 20.206 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.602 21.845 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.865 22.080 -4.976 1.00 0.00 H new ATOM 40 N PRO A 3 5.912 17.002 -5.018 1.00 0.00 N ATOM 41 CA PRO A 3 5.967 15.598 -4.577 1.00 0.00 C ATOM 42 C PRO A 3 7.397 15.158 -4.295 1.00 0.00 C ATOM 43 O PRO A 3 8.294 15.988 -4.153 1.00 0.00 O ATOM 44 CB PRO A 3 5.415 14.899 -5.807 1.00 0.00 C ATOM 45 CG PRO A 3 5.993 15.679 -6.962 1.00 0.00 C ATOM 46 CD PRO A 3 6.386 17.067 -6.402 1.00 0.00 C ATOM 0 HA PRO A 3 5.428 15.394 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.718 13.853 -5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.325 14.916 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.861 15.169 -7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.265 15.777 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.462 17.235 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.910 17.876 -6.955 1.00 0.00 H new ATOM 54 N SER A 4 7.606 13.850 -4.216 1.00 0.00 N ATOM 55 CA SER A 4 8.940 13.325 -3.953 1.00 0.00 C ATOM 56 C SER A 4 8.945 11.792 -4.089 1.00 0.00 C ATOM 57 O SER A 4 7.888 11.162 -4.082 1.00 0.00 O ATOM 58 CB SER A 4 9.381 13.773 -2.548 1.00 0.00 C ATOM 59 OG SER A 4 10.656 14.396 -2.630 1.00 0.00 O ATOM 0 H SER A 4 6.881 13.142 -4.328 1.00 0.00 H new ATOM 0 HA SER A 4 9.649 13.716 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.651 14.466 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.426 12.915 -1.878 1.00 0.00 H new ATOM 0 HG SER A 4 10.938 14.683 -1.736 1.00 0.00 H new ATOM 65 N PRO A 5 10.105 11.184 -4.221 1.00 0.00 N ATOM 66 CA PRO A 5 10.232 9.699 -4.369 1.00 0.00 C ATOM 67 C PRO A 5 9.234 8.936 -3.489 1.00 0.00 C ATOM 68 O PRO A 5 8.707 9.493 -2.527 1.00 0.00 O ATOM 69 CB PRO A 5 11.671 9.439 -3.924 1.00 0.00 C ATOM 70 CG PRO A 5 12.423 10.669 -4.328 1.00 0.00 C ATOM 71 CD PRO A 5 11.427 11.839 -4.242 1.00 0.00 C ATOM 0 HA PRO A 5 10.016 9.359 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.729 9.275 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.079 8.550 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.275 10.836 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.817 10.568 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.590 12.437 -3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.526 12.510 -5.095 1.00 0.00 H new ATOM 79 N PRO A 6 8.971 7.679 -3.786 1.00 0.00 N ATOM 80 CA PRO A 6 8.030 6.842 -2.989 1.00 0.00 C ATOM 81 C PRO A 6 8.095 7.105 -1.482 1.00 0.00 C ATOM 82 O PRO A 6 9.010 7.758 -0.980 1.00 0.00 O ATOM 83 CB PRO A 6 8.470 5.421 -3.338 1.00 0.00 C ATOM 84 CG PRO A 6 8.851 5.521 -4.769 1.00 0.00 C ATOM 85 CD PRO A 6 9.518 6.903 -4.924 1.00 0.00 C ATOM 0 HA PRO A 6 6.988 7.055 -3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.308 5.097 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.665 4.702 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.536 4.721 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.977 5.433 -5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.605 6.832 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.270 7.364 -5.880 1.00 0.00 H new ATOM 93 N SER A 7 7.079 6.609 -0.784 1.00 0.00 N ATOM 94 CA SER A 7 6.945 6.792 0.654 1.00 0.00 C ATOM 95 C SER A 7 6.247 5.581 1.261 1.00 0.00 C ATOM 96 O SER A 7 5.277 5.712 2.005 1.00 0.00 O ATOM 97 CB SER A 7 6.091 8.035 0.872 1.00 0.00 C ATOM 98 OG SER A 7 5.416 7.962 2.115 1.00 0.00 O ATOM 0 H SER A 7 6.323 6.067 -1.203 1.00 0.00 H new ATOM 0 HA SER A 7 7.922 6.902 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.720 8.925 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.367 8.132 0.063 1.00 0.00 H new ATOM 0 HG SER A 7 5.250 8.868 2.451 1.00 0.00 H new ATOM 104 N ILE A 8 6.708 4.390 0.896 1.00 0.00 N ATOM 105 CA ILE A 8 6.078 3.166 1.373 1.00 0.00 C ATOM 106 C ILE A 8 7.095 2.181 1.920 1.00 0.00 C ATOM 107 O ILE A 8 8.095 1.863 1.278 1.00 0.00 O ATOM 108 CB ILE A 8 5.322 2.491 0.224 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.478 3.519 -0.556 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.429 1.377 0.783 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.201 3.888 0.184 1.00 0.00 C ATOM 0 H ILE A 8 7.507 4.247 0.278 1.00 0.00 H new ATOM 0 HA ILE A 8 5.396 3.445 2.176 1.00 0.00 H new ATOM 0 HB ILE A 8 6.045 2.058 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.070 4.418 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.225 3.112 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.891 0.897 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.046 0.638 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.714 1.803 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.638 4.614 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.595 2.994 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.454 4.320 1.152 1.00 0.00 H new ATOM 123 N HIS A 9 6.784 1.672 3.099 1.00 0.00 N ATOM 124 CA HIS A 9 7.602 0.670 3.765 1.00 0.00 C ATOM 125 C HIS A 9 6.841 -0.646 3.707 1.00 0.00 C ATOM 126 O HIS A 9 5.805 -0.724 3.050 1.00 0.00 O ATOM 127 CB HIS A 9 7.844 1.072 5.221 1.00 0.00 C ATOM 128 CG HIS A 9 8.889 2.155 5.278 1.00 0.00 C ATOM 129 ND1 HIS A 9 8.559 3.495 5.391 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.261 2.110 5.228 1.00 0.00 C ATOM 131 CE1 HIS A 9 9.707 4.197 5.405 1.00 0.00 C ATOM 132 NE2 HIS A 9 10.774 3.400 5.307 1.00 0.00 N ATOM 0 H HIS A 9 5.953 1.943 3.625 1.00 0.00 H new ATOM 0 HA HIS A 9 8.572 0.577 3.276 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.916 1.424 5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.170 0.207 5.798 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.851 1.210 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.759 5.273 5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.755 3.678 5.293 1.00 0.00 H new ATOM 140 N GLY A 10 7.334 -1.674 4.375 1.00 0.00 N ATOM 141 CA GLY A 10 6.633 -2.952 4.363 1.00 0.00 C ATOM 142 C GLY A 10 7.309 -3.961 5.270 1.00 0.00 C ATOM 143 O GLY A 10 8.460 -4.345 5.058 1.00 0.00 O ATOM 0 H GLY A 10 8.195 -1.655 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.601 -2.806 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.599 -3.341 3.345 1.00 0.00 H new ATOM 147 N GLN A 11 6.563 -4.397 6.276 1.00 0.00 N ATOM 148 CA GLN A 11 7.053 -5.384 7.234 1.00 0.00 C ATOM 149 C GLN A 11 5.966 -6.430 7.471 1.00 0.00 C ATOM 150 O GLN A 11 4.783 -6.091 7.486 1.00 0.00 O ATOM 151 CB GLN A 11 7.392 -4.706 8.564 1.00 0.00 C ATOM 152 CG GLN A 11 8.457 -3.629 8.344 1.00 0.00 C ATOM 153 CD GLN A 11 8.955 -3.118 9.691 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.942 -3.628 10.223 1.00 0.00 O ATOM 155 NE2 GLN A 11 8.322 -2.143 10.283 1.00 0.00 N ATOM 0 H GLN A 11 5.609 -4.081 6.452 1.00 0.00 H new ATOM 0 HA GLN A 11 7.951 -5.856 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.495 -4.260 8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.753 -5.446 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.288 -4.037 7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.041 -2.806 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.505 -1.722 9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.644 -1.801 11.188 1.00 0.00 H new ATOM 164 N PRO A 12 6.316 -7.677 7.659 1.00 0.00 N ATOM 165 CA PRO A 12 5.301 -8.740 7.898 1.00 0.00 C ATOM 166 C PRO A 12 4.748 -8.666 9.322 1.00 0.00 C ATOM 167 O PRO A 12 5.238 -9.349 10.220 1.00 0.00 O ATOM 168 CB PRO A 12 6.096 -10.033 7.681 1.00 0.00 C ATOM 169 CG PRO A 12 7.487 -9.683 8.091 1.00 0.00 C ATOM 170 CD PRO A 12 7.688 -8.224 7.670 1.00 0.00 C ATOM 0 HA PRO A 12 4.432 -8.656 7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.698 -10.850 8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.057 -10.354 6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.620 -9.802 9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.214 -10.334 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.328 -7.688 8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.158 -8.150 6.689 1.00 0.00 H new ATOM 178 N SER A 13 3.734 -7.829 9.523 1.00 0.00 N ATOM 179 CA SER A 13 3.143 -7.681 10.848 1.00 0.00 C ATOM 180 C SER A 13 2.766 -9.046 11.412 1.00 0.00 C ATOM 181 O SER A 13 3.488 -9.609 12.233 1.00 0.00 O ATOM 182 CB SER A 13 1.900 -6.794 10.775 1.00 0.00 C ATOM 183 OG SER A 13 1.328 -6.688 12.072 1.00 0.00 O ATOM 0 H SER A 13 3.310 -7.251 8.797 1.00 0.00 H new ATOM 0 HA SER A 13 3.877 -7.214 11.505 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.165 -5.806 10.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.176 -7.217 10.078 1.00 0.00 H new ATOM 0 HG SER A 13 0.531 -6.119 12.033 1.00 0.00 H new ATOM 189 N SER A 14 1.634 -9.578 10.955 1.00 0.00 N ATOM 190 CA SER A 14 1.166 -10.888 11.407 1.00 0.00 C ATOM 191 C SER A 14 0.528 -11.644 10.249 1.00 0.00 C ATOM 192 O SER A 14 -0.236 -11.075 9.471 1.00 0.00 O ATOM 193 CB SER A 14 0.147 -10.722 12.535 1.00 0.00 C ATOM 194 OG SER A 14 -0.318 -12.004 12.935 1.00 0.00 O ATOM 0 H SER A 14 1.025 -9.124 10.274 1.00 0.00 H new ATOM 0 HA SER A 14 2.020 -11.455 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.603 -10.207 13.381 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.688 -10.107 12.200 1.00 0.00 H new ATOM 0 HG SER A 14 -0.970 -11.904 13.659 1.00 0.00 H new ATOM 200 N GLY A 15 0.846 -12.928 10.142 1.00 0.00 N ATOM 201 CA GLY A 15 0.297 -13.752 9.073 1.00 0.00 C ATOM 202 C GLY A 15 0.815 -13.297 7.713 1.00 0.00 C ATOM 203 O GLY A 15 2.009 -13.049 7.543 1.00 0.00 O ATOM 0 H GLY A 15 1.476 -13.418 10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.566 -14.795 9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.791 -13.697 9.089 1.00 0.00 H new ATOM 207 N LYS A 16 -0.092 -13.197 6.744 1.00 0.00 N ATOM 208 CA LYS A 16 0.270 -12.780 5.389 1.00 0.00 C ATOM 209 C LYS A 16 0.089 -11.277 5.216 1.00 0.00 C ATOM 210 O LYS A 16 0.353 -10.733 4.145 1.00 0.00 O ATOM 211 CB LYS A 16 -0.603 -13.537 4.378 1.00 0.00 C ATOM 212 CG LYS A 16 -0.840 -14.972 4.881 1.00 0.00 C ATOM 213 CD LYS A 16 -1.237 -15.891 3.719 1.00 0.00 C ATOM 214 CE LYS A 16 -2.631 -15.516 3.209 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.615 -15.629 4.321 1.00 0.00 N ATOM 0 H LYS A 16 -1.084 -13.399 6.871 1.00 0.00 H new ATOM 0 HA LYS A 16 1.320 -13.014 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.556 -13.024 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.116 -13.557 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.064 -15.350 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.625 -14.973 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.510 -15.805 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.228 -16.930 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.625 -14.499 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.918 -16.172 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.499 -16.042 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.226 -16.240 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.808 -14.685 4.711 1.00 0.00 H new ATOM 229 N SER A 17 -0.366 -10.613 6.269 1.00 0.00 N ATOM 230 CA SER A 17 -0.582 -9.172 6.217 1.00 0.00 C ATOM 231 C SER A 17 0.750 -8.431 6.121 1.00 0.00 C ATOM 232 O SER A 17 1.777 -8.927 6.584 1.00 0.00 O ATOM 233 CB SER A 17 -1.331 -8.713 7.467 1.00 0.00 C ATOM 234 OG SER A 17 -0.474 -8.825 8.597 1.00 0.00 O ATOM 0 H SER A 17 -0.592 -11.045 7.165 1.00 0.00 H new ATOM 0 HA SER A 17 -1.175 -8.945 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.662 -7.681 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.225 -9.320 7.613 1.00 0.00 H new ATOM 0 HG SER A 17 -0.115 -9.736 8.646 1.00 0.00 H new ATOM 240 N PHE A 18 0.728 -7.234 5.528 1.00 0.00 N ATOM 241 CA PHE A 18 1.943 -6.422 5.388 1.00 0.00 C ATOM 242 C PHE A 18 1.644 -4.976 5.776 1.00 0.00 C ATOM 243 O PHE A 18 0.764 -4.338 5.196 1.00 0.00 O ATOM 244 CB PHE A 18 2.461 -6.492 3.923 1.00 0.00 C ATOM 245 CG PHE A 18 3.929 -6.888 3.892 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.312 -8.198 4.206 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.903 -5.946 3.545 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.666 -8.557 4.176 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.254 -6.307 3.514 1.00 0.00 C ATOM 250 CZ PHE A 18 6.633 -7.606 3.829 1.00 0.00 C ATOM 0 H PHE A 18 -0.112 -6.806 5.139 1.00 0.00 H new ATOM 0 HA PHE A 18 2.715 -6.812 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.872 -7.214 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.330 -5.524 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.564 -8.931 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.611 -4.936 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.963 -9.566 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.002 -5.576 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.677 -7.883 3.806 1.00 0.00 H new ATOM 260 N LYS A 19 2.384 -4.462 6.750 1.00 0.00 N ATOM 261 CA LYS A 19 2.191 -3.088 7.196 1.00 0.00 C ATOM 262 C LYS A 19 2.954 -2.131 6.292 1.00 0.00 C ATOM 263 O LYS A 19 4.154 -1.927 6.471 1.00 0.00 O ATOM 264 CB LYS A 19 2.705 -2.916 8.630 1.00 0.00 C ATOM 265 CG LYS A 19 2.354 -1.497 9.164 1.00 0.00 C ATOM 266 CD LYS A 19 3.573 -0.874 9.857 1.00 0.00 C ATOM 267 CE LYS A 19 3.252 0.563 10.270 1.00 0.00 C ATOM 268 NZ LYS A 19 4.462 1.182 10.882 1.00 0.00 N ATOM 0 H LYS A 19 3.118 -4.971 7.243 1.00 0.00 H new ATOM 0 HA LYS A 19 1.125 -2.866 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.262 -3.675 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.784 -3.065 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.030 -0.861 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.521 -1.560 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.845 -1.462 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.431 -0.887 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.934 1.140 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.425 0.573 10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.247 2.160 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.746 0.635 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.238 1.184 10.190 1.00 0.00 H new ATOM 282 N LEU A 20 2.260 -1.531 5.326 1.00 0.00 N ATOM 283 CA LEU A 20 2.906 -0.583 4.419 1.00 0.00 C ATOM 284 C LEU A 20 2.674 0.830 4.940 1.00 0.00 C ATOM 285 O LEU A 20 1.657 1.459 4.644 1.00 0.00 O ATOM 286 CB LEU A 20 2.368 -0.710 2.981 1.00 0.00 C ATOM 287 CG LEU A 20 2.196 -2.193 2.581 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.150 -2.317 1.469 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.525 -2.748 2.067 1.00 0.00 C ATOM 0 H LEU A 20 1.266 -1.681 5.152 1.00 0.00 H new ATOM 0 HA LEU A 20 3.973 -0.805 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.411 -0.195 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.053 -0.220 2.289 1.00 0.00 H new ATOM 0 HG LEU A 20 1.872 -2.755 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.035 -3.365 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.195 -1.928 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.475 -1.746 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.398 -3.794 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.846 -2.175 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.279 -2.671 2.851 1.00 0.00 H new ATOM 301 N SER A 21 3.615 1.305 5.740 1.00 0.00 N ATOM 302 CA SER A 21 3.511 2.628 6.335 1.00 0.00 C ATOM 303 C SER A 21 3.603 3.716 5.275 1.00 0.00 C ATOM 304 O SER A 21 4.551 3.751 4.491 1.00 0.00 O ATOM 305 CB SER A 21 4.634 2.821 7.354 1.00 0.00 C ATOM 306 OG SER A 21 4.371 3.987 8.125 1.00 0.00 O ATOM 0 H SER A 21 4.461 0.794 5.993 1.00 0.00 H new ATOM 0 HA SER A 21 2.541 2.705 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.705 1.949 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.592 2.917 6.843 1.00 0.00 H new ATOM 0 HG SER A 21 3.429 4.240 8.025 1.00 0.00 H new ATOM 312 N ILE A 22 2.635 4.631 5.282 1.00 0.00 N ATOM 313 CA ILE A 22 2.653 5.738 4.340 1.00 0.00 C ATOM 314 C ILE A 22 3.463 6.854 4.999 1.00 0.00 C ATOM 315 O ILE A 22 3.035 7.411 6.007 1.00 0.00 O ATOM 316 CB ILE A 22 1.213 6.236 4.051 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.186 5.096 4.179 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.136 6.785 2.625 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.413 4.005 3.124 1.00 0.00 C ATOM 0 H ILE A 22 1.841 4.625 5.922 1.00 0.00 H new ATOM 0 HA ILE A 22 3.090 5.430 3.390 1.00 0.00 H new ATOM 0 HB ILE A 22 0.980 7.011 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.251 4.658 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.821 5.500 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.123 7.134 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.834 7.615 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.395 5.997 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.332 3.219 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.322 4.438 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.410 3.583 3.246 1.00 0.00 H new ATOM 331 N THR A 23 4.640 7.167 4.461 1.00 0.00 N ATOM 332 CA THR A 23 5.472 8.208 5.071 1.00 0.00 C ATOM 333 C THR A 23 5.020 9.582 4.598 1.00 0.00 C ATOM 334 O THR A 23 4.862 9.812 3.405 1.00 0.00 O ATOM 335 CB THR A 23 6.957 7.980 4.734 1.00 0.00 C ATOM 336 OG1 THR A 23 7.425 6.837 5.435 1.00 0.00 O ATOM 337 CG2 THR A 23 7.785 9.201 5.155 1.00 0.00 C ATOM 0 H THR A 23 5.033 6.730 3.627 1.00 0.00 H new ATOM 0 HA THR A 23 5.358 8.157 6.154 1.00 0.00 H new ATOM 0 HB THR A 23 7.061 7.829 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.370 6.687 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.834 9.030 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.429 10.083 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.682 9.358 6.229 1.00 0.00 H new ATOM 345 N LYS A 24 4.789 10.498 5.536 1.00 0.00 N ATOM 346 CA LYS A 24 4.338 11.826 5.152 1.00 0.00 C ATOM 347 C LYS A 24 5.287 12.385 4.096 1.00 0.00 C ATOM 348 O LYS A 24 6.384 12.845 4.412 1.00 0.00 O ATOM 349 CB LYS A 24 4.289 12.775 6.377 1.00 0.00 C ATOM 350 CG LYS A 24 5.202 12.243 7.492 1.00 0.00 C ATOM 351 CD LYS A 24 4.468 11.165 8.323 1.00 0.00 C ATOM 352 CE LYS A 24 5.466 10.105 8.787 1.00 0.00 C ATOM 353 NZ LYS A 24 4.791 9.150 9.710 1.00 0.00 N ATOM 0 H LYS A 24 4.903 10.349 6.539 1.00 0.00 H new ATOM 0 HA LYS A 24 3.329 11.753 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.605 13.776 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.265 12.858 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.109 11.822 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.510 13.063 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.983 11.624 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.683 10.702 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.870 9.571 7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.308 10.580 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.505 8.665 10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.136 9.669 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.261 8.448 9.156 1.00 0.00 H new ATOM 367 N GLN A 25 4.846 12.355 2.845 1.00 0.00 N ATOM 368 CA GLN A 25 5.646 12.871 1.737 1.00 0.00 C ATOM 369 C GLN A 25 5.137 14.259 1.370 1.00 0.00 C ATOM 370 O GLN A 25 3.951 14.550 1.519 1.00 0.00 O ATOM 371 CB GLN A 25 5.556 11.922 0.518 1.00 0.00 C ATOM 372 CG GLN A 25 4.225 11.147 0.542 1.00 0.00 C ATOM 373 CD GLN A 25 3.866 10.670 -0.864 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.753 10.420 -1.680 1.00 0.00 O ATOM 375 NE2 GLN A 25 2.613 10.526 -1.197 1.00 0.00 N ATOM 0 H GLN A 25 3.939 11.979 2.570 1.00 0.00 H new ATOM 0 HA GLN A 25 6.692 12.933 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.634 12.496 -0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.392 11.223 0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.305 10.293 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.431 11.785 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.878 10.733 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.368 10.206 -2.134 1.00 0.00 H new ATOM 384 N ASP A 26 6.033 15.118 0.902 1.00 0.00 N ATOM 385 CA ASP A 26 5.628 16.468 0.539 1.00 0.00 C ATOM 386 C ASP A 26 4.416 16.409 -0.377 1.00 0.00 C ATOM 387 O ASP A 26 4.534 16.114 -1.566 1.00 0.00 O ATOM 388 CB ASP A 26 6.776 17.200 -0.160 1.00 0.00 C ATOM 389 CG ASP A 26 6.432 18.679 -0.305 1.00 0.00 C ATOM 390 OD1 ASP A 26 5.252 18.992 -0.334 1.00 0.00 O ATOM 391 OD2 ASP A 26 7.352 19.476 -0.380 1.00 0.00 O ATOM 0 H ASP A 26 7.023 14.911 0.767 1.00 0.00 H new ATOM 0 HA ASP A 26 5.369 17.015 1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.696 17.085 0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.956 16.761 -1.141 1.00 0.00 H new ATOM 396 N ASP A 27 3.247 16.684 0.191 1.00 0.00 N ATOM 397 CA ASP A 27 2.013 16.652 -0.575 1.00 0.00 C ATOM 398 C ASP A 27 2.118 17.616 -1.746 1.00 0.00 C ATOM 399 O ASP A 27 2.719 18.682 -1.616 1.00 0.00 O ATOM 400 CB ASP A 27 0.836 17.051 0.325 1.00 0.00 C ATOM 401 CG ASP A 27 0.916 16.294 1.645 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.609 15.292 1.689 1.00 0.00 O ATOM 403 OD2 ASP A 27 0.282 16.727 2.591 1.00 0.00 O ATOM 0 H ASP A 27 3.131 16.930 1.174 1.00 0.00 H new ATOM 0 HA ASP A 27 1.846 15.643 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.855 18.125 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.107 16.830 -0.175 1.00 0.00 H new ATOM 408 N GLY A 28 1.557 17.223 -2.895 1.00 0.00 N ATOM 409 CA GLY A 28 1.605 18.049 -4.101 1.00 0.00 C ATOM 410 C GLY A 28 1.588 19.544 -3.773 1.00 0.00 C ATOM 411 O GLY A 28 2.137 20.352 -4.519 1.00 0.00 O ATOM 0 H GLY A 28 1.065 16.337 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.506 17.812 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.755 17.808 -4.739 1.00 0.00 H new ATOM 415 N GLY A 29 0.975 19.906 -2.648 1.00 0.00 N ATOM 416 CA GLY A 29 0.928 21.311 -2.246 1.00 0.00 C ATOM 417 C GLY A 29 -0.191 21.606 -1.244 1.00 0.00 C ATOM 418 O GLY A 29 -0.519 22.772 -1.016 1.00 0.00 O ATOM 0 H GLY A 29 0.512 19.260 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.886 21.590 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.790 21.933 -3.131 1.00 0.00 H new ATOM 422 N ALA A 30 -0.780 20.575 -0.636 1.00 0.00 N ATOM 423 CA ALA A 30 -1.851 20.808 0.332 1.00 0.00 C ATOM 424 C ALA A 30 -2.025 19.597 1.252 1.00 0.00 C ATOM 425 O ALA A 30 -1.693 18.473 0.874 1.00 0.00 O ATOM 426 CB ALA A 30 -3.162 21.095 -0.417 1.00 0.00 C ATOM 0 H ALA A 30 -0.542 19.595 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.587 21.667 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.962 21.269 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.038 21.979 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.418 20.241 -1.044 1.00 0.00 H new ATOM 432 N PRO A 31 -2.551 19.796 2.437 1.00 0.00 N ATOM 433 CA PRO A 31 -2.780 18.678 3.397 1.00 0.00 C ATOM 434 C PRO A 31 -3.786 17.671 2.838 1.00 0.00 C ATOM 435 O PRO A 31 -4.786 18.048 2.227 1.00 0.00 O ATOM 436 CB PRO A 31 -3.314 19.379 4.663 1.00 0.00 C ATOM 437 CG PRO A 31 -3.854 20.690 4.182 1.00 0.00 C ATOM 438 CD PRO A 31 -2.980 21.090 2.995 1.00 0.00 C ATOM 0 HA PRO A 31 -1.878 18.099 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.091 18.785 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.522 19.524 5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.899 20.597 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.812 21.443 4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.537 21.677 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.129 21.695 3.308 1.00 0.00 H new ATOM 446 N ILE A 32 -3.496 16.394 3.039 1.00 0.00 N ATOM 447 CA ILE A 32 -4.350 15.318 2.540 1.00 0.00 C ATOM 448 C ILE A 32 -5.473 14.984 3.506 1.00 0.00 C ATOM 449 O ILE A 32 -5.258 14.855 4.709 1.00 0.00 O ATOM 450 CB ILE A 32 -3.494 14.067 2.331 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.400 14.371 1.272 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.373 12.890 1.872 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.035 13.958 1.807 1.00 0.00 C ATOM 0 H ILE A 32 -2.672 16.073 3.547 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.799 15.653 1.605 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.019 13.790 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.616 13.834 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.400 15.434 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.751 12.006 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.128 12.682 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.863 13.147 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.271 14.173 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.818 14.514 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.038 12.890 2.026 1.00 0.00 H new ATOM 465 N LEU A 33 -6.667 14.817 2.952 1.00 0.00 N ATOM 466 CA LEU A 33 -7.829 14.456 3.746 1.00 0.00 C ATOM 467 C LEU A 33 -7.885 12.935 3.904 1.00 0.00 C ATOM 468 O LEU A 33 -8.150 12.422 4.991 1.00 0.00 O ATOM 469 CB LEU A 33 -9.102 14.952 3.055 1.00 0.00 C ATOM 470 CG LEU A 33 -9.097 16.487 2.989 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.214 16.954 2.051 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.317 17.091 4.390 1.00 0.00 C ATOM 0 H LEU A 33 -6.854 14.926 1.955 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.754 14.920 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.166 14.536 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.980 14.606 3.600 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.130 16.821 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.215 18.043 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.047 16.545 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.176 16.607 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.310 18.179 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.278 16.758 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.519 16.764 5.057 1.00 0.00 H new ATOM 484 N GLU A 34 -7.634 12.220 2.800 1.00 0.00 N ATOM 485 CA GLU A 34 -7.660 10.750 2.803 1.00 0.00 C ATOM 486 C GLU A 34 -6.631 10.168 1.842 1.00 0.00 C ATOM 487 O GLU A 34 -6.159 10.844 0.928 1.00 0.00 O ATOM 488 CB GLU A 34 -9.040 10.244 2.375 1.00 0.00 C ATOM 489 CG GLU A 34 -10.036 10.486 3.493 1.00 0.00 C ATOM 490 CD GLU A 34 -11.434 10.071 3.045 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.552 9.555 1.947 1.00 0.00 O ATOM 492 OE2 GLU A 34 -12.365 10.280 3.805 1.00 0.00 O ATOM 0 H GLU A 34 -7.411 12.634 1.895 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.428 10.430 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.362 10.757 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.992 9.181 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.746 9.920 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.033 11.540 3.773 1.00 0.00 H new ATOM 499 N TYR A 35 -6.322 8.884 2.040 1.00 0.00 N ATOM 500 CA TYR A 35 -5.384 8.173 1.172 1.00 0.00 C ATOM 501 C TYR A 35 -6.124 7.085 0.400 1.00 0.00 C ATOM 502 O TYR A 35 -6.711 6.183 0.991 1.00 0.00 O ATOM 503 CB TYR A 35 -4.264 7.511 1.999 1.00 0.00 C ATOM 504 CG TYR A 35 -3.198 8.519 2.384 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.488 9.518 3.309 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.915 8.441 1.825 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.500 10.440 3.684 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.929 9.359 2.199 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.221 10.357 3.130 1.00 0.00 C ATOM 510 OH TYR A 35 -0.242 11.256 3.508 1.00 0.00 O ATOM 0 H TYR A 35 -6.709 8.317 2.794 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.944 8.896 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.688 7.064 2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.813 6.702 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.477 9.583 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.688 7.670 1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.728 11.214 4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.059 9.296 1.767 1.00 0.00 H new ATOM 0 HH TYR A 35 0.589 11.056 3.028 1.00 0.00 H new ATOM 520 N ILE A 36 -6.063 7.153 -0.923 1.00 0.00 N ATOM 521 CA ILE A 36 -6.697 6.147 -1.763 1.00 0.00 C ATOM 522 C ILE A 36 -5.639 5.167 -2.217 1.00 0.00 C ATOM 523 O ILE A 36 -4.730 5.510 -2.970 1.00 0.00 O ATOM 524 CB ILE A 36 -7.350 6.809 -2.969 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.389 7.811 -2.469 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.022 5.736 -3.831 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.929 8.626 -3.644 1.00 0.00 C ATOM 0 H ILE A 36 -5.582 7.892 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.470 5.625 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.604 7.327 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.205 7.286 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.941 8.475 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.491 6.205 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.274 5.019 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.780 5.219 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.670 9.339 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.110 9.164 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.393 7.957 -4.368 1.00 0.00 H new ATOM 539 N VAL A 37 -5.757 3.947 -1.717 1.00 0.00 N ATOM 540 CA VAL A 37 -4.806 2.893 -2.020 1.00 0.00 C ATOM 541 C VAL A 37 -5.458 1.814 -2.864 1.00 0.00 C ATOM 542 O VAL A 37 -6.500 1.269 -2.494 1.00 0.00 O ATOM 543 CB VAL A 37 -4.326 2.285 -0.702 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.302 1.173 -0.988 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.710 3.390 0.191 1.00 0.00 C ATOM 0 H VAL A 37 -6.512 3.662 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.968 3.309 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.171 1.847 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.961 0.741 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.768 0.397 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.450 1.592 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.369 2.952 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.865 3.845 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.462 4.152 0.398 1.00 0.00 H new ATOM 555 N LYS A 38 -4.834 1.497 -3.995 1.00 0.00 N ATOM 556 CA LYS A 38 -5.351 0.464 -4.885 1.00 0.00 C ATOM 557 C LYS A 38 -4.270 -0.580 -5.118 1.00 0.00 C ATOM 558 O LYS A 38 -3.104 -0.241 -5.261 1.00 0.00 O ATOM 559 CB LYS A 38 -5.779 1.082 -6.218 1.00 0.00 C ATOM 560 CG LYS A 38 -6.928 2.069 -5.972 1.00 0.00 C ATOM 561 CD LYS A 38 -7.355 2.730 -7.297 1.00 0.00 C ATOM 562 CE LYS A 38 -8.386 1.852 -8.017 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.625 2.385 -9.388 1.00 0.00 N ATOM 0 H LYS A 38 -3.973 1.939 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.221 -0.007 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.936 1.595 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.096 0.301 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.776 1.548 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.615 2.833 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.779 3.715 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.484 2.879 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.028 0.824 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.320 1.834 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.324 1.789 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.985 3.359 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.733 2.380 -9.923 1.00 0.00 H new ATOM 577 N TYR A 39 -4.649 -1.852 -5.136 1.00 0.00 N ATOM 578 CA TYR A 39 -3.671 -2.924 -5.329 1.00 0.00 C ATOM 579 C TYR A 39 -4.273 -4.081 -6.123 1.00 0.00 C ATOM 580 O TYR A 39 -5.491 -4.251 -6.159 1.00 0.00 O ATOM 581 CB TYR A 39 -3.213 -3.428 -3.961 1.00 0.00 C ATOM 582 CG TYR A 39 -4.410 -3.864 -3.151 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.222 -2.905 -2.541 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.705 -5.226 -3.005 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.330 -3.301 -1.786 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.815 -5.622 -2.247 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.627 -4.658 -1.639 1.00 0.00 C ATOM 588 OH TYR A 39 -7.720 -5.046 -0.891 1.00 0.00 O ATOM 0 H TYR A 39 -5.612 -2.167 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.825 -2.530 -5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.521 -4.262 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.673 -2.641 -3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.993 -1.855 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.078 -5.969 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.957 -2.557 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.044 -6.671 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.786 -6.024 -0.890 1.00 0.00 H new ATOM 598 N ARG A 40 -3.410 -4.882 -6.752 1.00 0.00 N ATOM 599 CA ARG A 40 -3.871 -6.033 -7.535 1.00 0.00 C ATOM 600 C ARG A 40 -2.847 -7.165 -7.513 1.00 0.00 C ATOM 601 O ARG A 40 -1.822 -7.072 -6.847 1.00 0.00 O ATOM 602 CB ARG A 40 -4.150 -5.631 -8.982 1.00 0.00 C ATOM 603 CG ARG A 40 -2.876 -5.055 -9.647 1.00 0.00 C ATOM 604 CD ARG A 40 -2.898 -5.300 -11.172 1.00 0.00 C ATOM 605 NE ARG A 40 -2.053 -6.447 -11.512 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.799 -6.297 -11.946 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.267 -5.107 -12.046 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.097 -7.348 -12.263 1.00 0.00 N ATOM 0 H ARG A 40 -2.398 -4.758 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.795 -6.386 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.499 -6.497 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.948 -4.889 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.807 -3.986 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.991 -5.519 -9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.920 -5.481 -11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.546 -4.411 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.434 -7.388 -11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.811 -4.282 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.692 -5.003 -12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.506 -8.279 -12.179 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.861 -7.240 -12.595 1.00 0.00 H new ATOM 622 N SER A 41 -3.137 -8.235 -8.253 1.00 0.00 N ATOM 623 CA SER A 41 -2.242 -9.399 -8.307 1.00 0.00 C ATOM 624 C SER A 41 -1.240 -9.303 -9.458 1.00 0.00 C ATOM 625 O SER A 41 -1.591 -8.926 -10.575 1.00 0.00 O ATOM 626 CB SER A 41 -3.080 -10.674 -8.465 1.00 0.00 C ATOM 627 OG SER A 41 -4.106 -10.448 -9.423 1.00 0.00 O ATOM 0 H SER A 41 -3.979 -8.323 -8.822 1.00 0.00 H new ATOM 0 HA SER A 41 -1.674 -9.426 -7.377 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.446 -11.502 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.517 -10.956 -7.507 1.00 0.00 H new ATOM 0 HG SER A 41 -4.884 -11.003 -9.206 1.00 0.00 H new ATOM 633 N LYS A 42 0.010 -9.679 -9.177 1.00 0.00 N ATOM 634 CA LYS A 42 1.055 -9.666 -10.198 1.00 0.00 C ATOM 635 C LYS A 42 0.768 -10.706 -11.275 1.00 0.00 C ATOM 636 O LYS A 42 1.089 -10.512 -12.448 1.00 0.00 O ATOM 637 CB LYS A 42 2.427 -9.945 -9.576 1.00 0.00 C ATOM 638 CG LYS A 42 2.907 -8.715 -8.802 1.00 0.00 C ATOM 639 CD LYS A 42 4.371 -8.904 -8.410 1.00 0.00 C ATOM 640 CE LYS A 42 4.852 -7.682 -7.629 1.00 0.00 C ATOM 641 NZ LYS A 42 6.280 -7.871 -7.249 1.00 0.00 N ATOM 0 H LYS A 42 0.320 -9.994 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 42 1.064 -8.674 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.366 -10.805 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.145 -10.198 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.795 -7.820 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.296 -8.571 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.483 -9.803 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.982 -9.042 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.741 -6.782 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.242 -7.543 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.557 -7.138 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.404 -8.810 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.878 -7.797 -8.097 1.00 0.00 H new ATOM 655 N ASP A 43 0.185 -11.820 -10.856 1.00 0.00 N ATOM 656 CA ASP A 43 -0.125 -12.909 -11.776 1.00 0.00 C ATOM 657 C ASP A 43 -1.069 -12.439 -12.869 1.00 0.00 C ATOM 658 O ASP A 43 -0.997 -12.904 -14.006 1.00 0.00 O ATOM 659 CB ASP A 43 -0.785 -14.054 -11.012 1.00 0.00 C ATOM 660 CG ASP A 43 -1.019 -15.240 -11.943 1.00 0.00 C ATOM 661 OD1 ASP A 43 -0.786 -15.094 -13.131 1.00 0.00 O ATOM 662 OD2 ASP A 43 -1.424 -16.280 -11.449 1.00 0.00 O ATOM 0 H ASP A 43 -0.083 -11.995 -9.888 1.00 0.00 H new ATOM 0 HA ASP A 43 0.806 -13.247 -12.231 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.153 -14.356 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.733 -13.721 -10.590 1.00 0.00 H new ATOM 667 N LYS A 44 -1.971 -11.533 -12.510 1.00 0.00 N ATOM 668 CA LYS A 44 -2.956 -11.016 -13.448 1.00 0.00 C ATOM 669 C LYS A 44 -2.913 -9.495 -13.482 1.00 0.00 C ATOM 670 O LYS A 44 -2.031 -8.873 -12.891 1.00 0.00 O ATOM 671 CB LYS A 44 -4.331 -11.496 -12.997 1.00 0.00 C ATOM 672 CG LYS A 44 -4.364 -13.023 -13.101 1.00 0.00 C ATOM 673 CD LYS A 44 -5.625 -13.579 -12.423 1.00 0.00 C ATOM 674 CE LYS A 44 -5.423 -13.658 -10.903 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.474 -14.531 -10.308 1.00 0.00 N ATOM 0 H LYS A 44 -2.039 -11.141 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.741 -11.377 -14.454 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.526 -11.181 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.110 -11.056 -13.620 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.345 -13.323 -14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.475 -13.445 -12.632 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.479 -12.941 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.852 -14.569 -12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.434 -14.056 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.473 -12.661 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.338 -14.585 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.413 -14.133 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.406 -15.485 -10.717 1.00 0.00 H new ATOM 689 N GLU A 45 -3.875 -8.909 -14.176 1.00 0.00 N ATOM 690 CA GLU A 45 -3.959 -7.460 -14.289 1.00 0.00 C ATOM 691 C GLU A 45 -5.245 -7.075 -15.012 1.00 0.00 C ATOM 692 O GLU A 45 -5.214 -6.512 -16.106 1.00 0.00 O ATOM 693 CB GLU A 45 -2.750 -6.921 -15.061 1.00 0.00 C ATOM 694 CG GLU A 45 -2.722 -5.395 -14.969 1.00 0.00 C ATOM 695 CD GLU A 45 -1.465 -4.853 -15.639 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.841 -5.594 -16.380 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.146 -3.699 -15.404 1.00 0.00 O ATOM 0 H GLU A 45 -4.610 -9.414 -14.671 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.963 -7.026 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.829 -7.337 -14.652 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.804 -7.232 -16.104 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.608 -4.978 -15.448 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.749 -5.085 -13.924 1.00 0.00 H new ATOM 704 N ASP A 46 -6.381 -7.396 -14.395 1.00 0.00 N ATOM 705 CA ASP A 46 -7.688 -7.086 -14.981 1.00 0.00 C ATOM 706 C ASP A 46 -8.583 -6.407 -13.949 1.00 0.00 C ATOM 707 O ASP A 46 -9.675 -5.940 -14.273 1.00 0.00 O ATOM 708 CB ASP A 46 -8.358 -8.370 -15.469 1.00 0.00 C ATOM 709 CG ASP A 46 -7.458 -9.085 -16.471 1.00 0.00 C ATOM 710 OD1 ASP A 46 -6.974 -8.428 -17.378 1.00 0.00 O ATOM 711 OD2 ASP A 46 -7.263 -10.278 -16.315 1.00 0.00 O ATOM 0 H ASP A 46 -6.425 -7.869 -13.492 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.540 -6.411 -15.824 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.565 -9.025 -14.623 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.316 -8.135 -15.932 1.00 0.00 H new ATOM 716 N GLN A 47 -8.118 -6.361 -12.699 1.00 0.00 N ATOM 717 CA GLN A 47 -8.884 -5.745 -11.616 1.00 0.00 C ATOM 718 C GLN A 47 -7.965 -4.970 -10.678 1.00 0.00 C ATOM 719 O GLN A 47 -6.775 -5.267 -10.567 1.00 0.00 O ATOM 720 CB GLN A 47 -9.615 -6.828 -10.811 1.00 0.00 C ATOM 721 CG GLN A 47 -10.655 -7.532 -11.690 1.00 0.00 C ATOM 722 CD GLN A 47 -11.743 -6.547 -12.110 1.00 0.00 C ATOM 723 OE1 GLN A 47 -12.338 -5.882 -11.264 1.00 0.00 O ATOM 724 NE2 GLN A 47 -12.040 -6.419 -13.375 1.00 0.00 N ATOM 0 H GLN A 47 -7.216 -6.742 -12.413 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.605 -5.059 -12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.897 -7.555 -10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.103 -6.380 -9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.172 -7.950 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.099 -8.365 -11.145 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.544 -6.972 -14.074 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.768 -5.766 -13.664 1.00 0.00 H new ATOM 733 N TRP A 48 -8.534 -3.981 -9.994 1.00 0.00 N ATOM 734 CA TRP A 48 -7.781 -3.162 -9.043 1.00 0.00 C ATOM 735 C TRP A 48 -8.617 -2.936 -7.784 1.00 0.00 C ATOM 736 O TRP A 48 -9.600 -2.194 -7.800 1.00 0.00 O ATOM 737 CB TRP A 48 -7.402 -1.818 -9.688 1.00 0.00 C ATOM 738 CG TRP A 48 -6.144 -1.959 -10.495 1.00 0.00 C ATOM 739 CD1 TRP A 48 -6.084 -2.268 -11.812 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.768 -1.787 -10.052 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.754 -2.298 -12.201 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.906 -2.005 -11.151 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.192 -1.464 -8.814 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.518 -1.904 -11.023 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.801 -1.363 -8.679 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.964 -1.583 -9.781 1.00 0.00 C ATOM 0 H TRP A 48 -9.518 -3.725 -10.080 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.864 -3.682 -8.767 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.214 -1.473 -10.327 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.262 -1.063 -8.914 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.932 -2.459 -12.453 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.440 -2.511 -13.148 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.827 -1.292 -7.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.879 -2.073 -11.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.371 -1.114 -7.720 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.893 -1.505 -9.671 1.00 0.00 H new ATOM 757 N LEU A 49 -8.216 -3.593 -6.698 1.00 0.00 N ATOM 758 CA LEU A 49 -8.931 -3.474 -5.425 1.00 0.00 C ATOM 759 C LEU A 49 -8.724 -2.082 -4.832 1.00 0.00 C ATOM 760 O LEU A 49 -7.794 -1.386 -5.214 1.00 0.00 O ATOM 761 CB LEU A 49 -8.432 -4.537 -4.443 1.00 0.00 C ATOM 762 CG LEU A 49 -8.768 -5.940 -4.971 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.080 -6.984 -4.087 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.292 -6.173 -4.952 1.00 0.00 C ATOM 0 H LEU A 49 -7.405 -4.211 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.995 -3.626 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.355 -4.440 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.893 -4.387 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.415 -6.028 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.313 -7.983 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.001 -6.830 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.435 -6.883 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.512 -7.172 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.661 -6.081 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.781 -5.431 -5.583 1.00 0.00 H new ATOM 776 N GLU A 50 -9.616 -1.674 -3.919 1.00 0.00 N ATOM 777 CA GLU A 50 -9.531 -0.342 -3.297 1.00 0.00 C ATOM 778 C GLU A 50 -9.317 -0.432 -1.783 1.00 0.00 C ATOM 779 O GLU A 50 -9.833 -1.331 -1.119 1.00 0.00 O ATOM 780 CB GLU A 50 -10.823 0.430 -3.562 1.00 0.00 C ATOM 781 CG GLU A 50 -10.942 0.744 -5.051 1.00 0.00 C ATOM 782 CD GLU A 50 -12.265 1.450 -5.326 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.980 1.716 -4.374 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.547 1.711 -6.485 1.00 0.00 O ATOM 0 H GLU A 50 -10.400 -2.241 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.676 0.171 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.681 -0.157 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.830 1.354 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.111 1.374 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.883 -0.176 -5.632 1.00 0.00 H new ATOM 791 N LYS A 51 -8.571 0.537 -1.245 1.00 0.00 N ATOM 792 CA LYS A 51 -8.297 0.613 0.191 1.00 0.00 C ATOM 793 C LYS A 51 -8.203 2.094 0.576 1.00 0.00 C ATOM 794 O LYS A 51 -7.301 2.798 0.138 1.00 0.00 O ATOM 795 CB LYS A 51 -7.002 -0.187 0.498 1.00 0.00 C ATOM 796 CG LYS A 51 -6.297 0.258 1.810 1.00 0.00 C ATOM 797 CD LYS A 51 -6.849 -0.504 3.031 1.00 0.00 C ATOM 798 CE LYS A 51 -8.280 -0.049 3.371 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.485 -0.159 4.841 1.00 0.00 N ATOM 0 H LYS A 51 -8.143 1.286 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.092 0.165 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.247 -1.247 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.308 -0.074 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.224 0.084 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.436 1.329 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.844 -1.575 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.199 -0.340 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.436 0.979 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.007 -0.665 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.450 0.146 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.351 -1.147 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.798 0.446 5.334 1.00 0.00 H new ATOM 813 N LYS A 52 -9.164 2.569 1.371 1.00 0.00 N ATOM 814 CA LYS A 52 -9.203 3.984 1.777 1.00 0.00 C ATOM 815 C LYS A 52 -8.651 4.182 3.188 1.00 0.00 C ATOM 816 O LYS A 52 -8.888 3.361 4.075 1.00 0.00 O ATOM 817 CB LYS A 52 -10.658 4.474 1.755 1.00 0.00 C ATOM 818 CG LYS A 52 -11.314 4.205 0.390 1.00 0.00 C ATOM 819 CD LYS A 52 -10.755 5.140 -0.688 1.00 0.00 C ATOM 820 CE LYS A 52 -11.532 4.919 -1.990 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.101 5.917 -3.007 1.00 0.00 N ATOM 0 H LYS A 52 -9.924 2.002 1.747 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.586 4.549 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.225 3.973 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.688 5.542 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.144 3.168 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.393 4.341 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.843 6.178 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.694 4.943 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.359 3.909 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.602 5.012 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.939 6.338 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.543 6.664 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.519 5.447 -3.730 1.00 0.00 H new ATOM 835 N VAL A 53 -7.930 5.293 3.400 1.00 0.00 N ATOM 836 CA VAL A 53 -7.371 5.606 4.720 1.00 0.00 C ATOM 837 C VAL A 53 -7.546 7.095 5.032 1.00 0.00 C ATOM 838 O VAL A 53 -7.758 7.913 4.138 1.00 0.00 O ATOM 839 CB VAL A 53 -5.866 5.216 4.809 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.620 4.384 6.068 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.457 4.399 3.579 1.00 0.00 C ATOM 0 H VAL A 53 -7.722 5.984 2.679 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.916 5.018 5.459 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.272 6.129 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.566 4.114 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.894 4.966 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.225 3.478 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.403 4.133 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.058 3.491 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.619 4.991 2.678 1.00 0.00 H new ATOM 851 N GLN A 54 -7.451 7.422 6.314 1.00 0.00 N ATOM 852 CA GLN A 54 -7.590 8.802 6.774 1.00 0.00 C ATOM 853 C GLN A 54 -6.355 9.619 6.395 1.00 0.00 C ATOM 854 O GLN A 54 -5.253 9.079 6.287 1.00 0.00 O ATOM 855 CB GLN A 54 -7.766 8.806 8.298 1.00 0.00 C ATOM 856 CG GLN A 54 -8.129 10.210 8.784 1.00 0.00 C ATOM 857 CD GLN A 54 -9.524 10.589 8.299 1.00 0.00 C ATOM 858 OE1 GLN A 54 -10.481 9.847 8.525 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.699 11.701 7.638 1.00 0.00 N ATOM 0 H GLN A 54 -7.277 6.748 7.059 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.461 9.252 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.547 8.101 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.846 8.473 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.092 10.247 9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.399 10.931 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.905 12.314 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.629 11.957 7.308 1.00 0.00 H new ATOM 868 N GLY A 55 -6.541 10.923 6.193 1.00 0.00 N ATOM 869 CA GLY A 55 -5.434 11.802 5.828 1.00 0.00 C ATOM 870 C GLY A 55 -4.417 11.916 6.960 1.00 0.00 C ATOM 871 O GLY A 55 -3.550 12.791 6.934 1.00 0.00 O ATOM 0 H GLY A 55 -7.444 11.391 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.943 11.419 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.819 12.792 5.582 1.00 0.00 H new ATOM 875 N ASN A 56 -4.521 11.037 7.959 1.00 0.00 N ATOM 876 CA ASN A 56 -3.592 11.069 9.091 1.00 0.00 C ATOM 877 C ASN A 56 -3.288 9.665 9.610 1.00 0.00 C ATOM 878 O ASN A 56 -2.564 9.509 10.594 1.00 0.00 O ATOM 879 CB ASN A 56 -4.191 11.905 10.224 1.00 0.00 C ATOM 880 CG ASN A 56 -3.142 12.152 11.301 1.00 0.00 C ATOM 881 OD1 ASN A 56 -1.958 12.299 10.994 1.00 0.00 O ATOM 882 ND2 ASN A 56 -3.504 12.208 12.553 1.00 0.00 N ATOM 0 H ASN A 56 -5.229 10.304 8.008 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.659 11.514 8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.553 12.856 9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.050 11.389 10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.807 12.374 13.279 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.485 12.086 12.806 1.00 0.00 H new ATOM 889 N LYS A 57 -3.839 8.642 8.959 1.00 0.00 N ATOM 890 CA LYS A 57 -3.593 7.271 9.399 1.00 0.00 C ATOM 891 C LYS A 57 -2.109 6.947 9.258 1.00 0.00 C ATOM 892 O LYS A 57 -1.478 6.428 10.179 1.00 0.00 O ATOM 893 CB LYS A 57 -4.418 6.282 8.559 1.00 0.00 C ATOM 894 CG LYS A 57 -4.602 4.952 9.331 1.00 0.00 C ATOM 895 CD LYS A 57 -5.904 5.006 10.142 1.00 0.00 C ATOM 896 CE LYS A 57 -6.051 3.727 10.967 1.00 0.00 C ATOM 897 NZ LYS A 57 -5.978 2.544 10.063 1.00 0.00 N ATOM 0 H LYS A 57 -4.445 8.732 8.144 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.891 7.179 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.391 6.714 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.918 6.094 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.630 4.115 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.754 4.785 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.898 5.876 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.757 5.118 9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.263 3.673 11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.001 3.733 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.341 1.705 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.552 2.720 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.989 2.380 9.785 1.00 0.00 H new ATOM 911 N ASP A 58 -1.562 7.284 8.095 1.00 0.00 N ATOM 912 CA ASP A 58 -0.148 7.060 7.817 1.00 0.00 C ATOM 913 C ASP A 58 0.230 5.577 7.923 1.00 0.00 C ATOM 914 O ASP A 58 1.366 5.255 8.274 1.00 0.00 O ATOM 915 CB ASP A 58 0.692 7.895 8.810 1.00 0.00 C ATOM 916 CG ASP A 58 1.959 8.424 8.139 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.839 9.329 7.330 1.00 0.00 O ATOM 918 OD2 ASP A 58 3.025 7.917 8.444 1.00 0.00 O ATOM 0 H ASP A 58 -2.078 7.714 7.328 1.00 0.00 H new ATOM 0 HA ASP A 58 0.056 7.370 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.098 8.729 9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.960 7.283 9.671 1.00 0.00 H new ATOM 923 N HIS A 59 -0.711 4.677 7.609 1.00 0.00 N ATOM 924 CA HIS A 59 -0.434 3.233 7.677 1.00 0.00 C ATOM 925 C HIS A 59 -1.674 2.415 7.288 1.00 0.00 C ATOM 926 O HIS A 59 -2.808 2.846 7.494 1.00 0.00 O ATOM 927 CB HIS A 59 0.062 2.838 9.104 1.00 0.00 C ATOM 928 CG HIS A 59 -0.994 2.079 9.876 1.00 0.00 C ATOM 929 ND1 HIS A 59 -2.021 2.718 10.553 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.189 0.736 10.079 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.782 1.766 11.126 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.318 0.540 10.868 1.00 0.00 N ATOM 0 H HIS A 59 -1.656 4.916 7.310 1.00 0.00 H new ATOM 0 HA HIS A 59 0.356 3.005 6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.961 2.227 9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.339 3.737 9.654 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.561 -0.050 9.686 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.660 1.969 11.721 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.708 -0.349 11.182 1.00 0.00 H new ATOM 940 N ILE A 60 -1.436 1.219 6.746 1.00 0.00 N ATOM 941 CA ILE A 60 -2.524 0.322 6.352 1.00 0.00 C ATOM 942 C ILE A 60 -2.096 -1.135 6.471 1.00 0.00 C ATOM 943 O ILE A 60 -0.933 -1.470 6.249 1.00 0.00 O ATOM 944 CB ILE A 60 -2.971 0.594 4.906 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.739 0.685 3.981 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.776 1.892 4.848 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.115 1.350 2.650 1.00 0.00 C ATOM 0 H ILE A 60 -0.502 0.850 6.570 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.359 0.512 7.027 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.602 -0.227 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.951 1.257 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.341 -0.313 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.090 2.080 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.655 1.804 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.157 2.720 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.235 1.406 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.887 0.761 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.491 2.356 2.839 1.00 0.00 H new ATOM 959 N ILE A 61 -3.054 -2.004 6.801 1.00 0.00 N ATOM 960 CA ILE A 61 -2.784 -3.437 6.926 1.00 0.00 C ATOM 961 C ILE A 61 -3.624 -4.208 5.911 1.00 0.00 C ATOM 962 O ILE A 61 -4.840 -4.322 6.066 1.00 0.00 O ATOM 963 CB ILE A 61 -3.144 -3.925 8.334 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.455 -3.045 9.389 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.696 -5.380 8.500 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.935 -2.998 9.160 1.00 0.00 C ATOM 0 H ILE A 61 -4.022 -1.741 6.986 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.723 -3.607 6.742 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.223 -3.860 8.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.864 -2.035 9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.664 -3.434 10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.952 -5.727 9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.199 -6.002 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.617 -5.447 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.472 -2.369 9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.526 -4.006 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.728 -2.586 8.172 1.00 0.00 H new ATOM 978 N LEU A 62 -2.973 -4.745 4.881 1.00 0.00 N ATOM 979 CA LEU A 62 -3.681 -5.513 3.856 1.00 0.00 C ATOM 980 C LEU A 62 -3.628 -6.999 4.198 1.00 0.00 C ATOM 981 O LEU A 62 -2.585 -7.634 4.070 1.00 0.00 O ATOM 982 CB LEU A 62 -3.022 -5.273 2.491 1.00 0.00 C ATOM 983 CG LEU A 62 -3.499 -3.946 1.894 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.261 -2.803 2.878 1.00 0.00 C ATOM 985 CD2 LEU A 62 -2.718 -3.669 0.609 1.00 0.00 C ATOM 0 H LEU A 62 -1.967 -4.665 4.733 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.722 -5.192 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.938 -5.261 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.265 -6.092 1.814 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.566 -4.015 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.605 -1.867 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.811 -2.995 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.196 -2.730 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.051 -2.725 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.654 -3.608 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.891 -4.476 -0.103 1.00 0.00 H new ATOM 997 N GLU A 63 -4.757 -7.539 4.643 1.00 0.00 N ATOM 998 CA GLU A 63 -4.835 -8.948 5.025 1.00 0.00 C ATOM 999 C GLU A 63 -5.113 -9.851 3.825 1.00 0.00 C ATOM 1000 O GLU A 63 -5.809 -9.460 2.887 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.944 -9.134 6.062 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.545 -8.448 7.369 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.698 -8.516 8.365 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.738 -9.040 8.000 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.527 -8.040 9.474 1.00 0.00 O ATOM 0 H GLU A 63 -5.631 -7.025 4.749 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.869 -9.232 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.878 -8.714 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.119 -10.196 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.662 -8.931 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.279 -7.408 7.178 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.568 -11.065 3.880 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.750 -12.056 2.818 1.00 0.00 C ATOM 1014 C HIS A 64 -3.980 -11.659 1.565 1.00 0.00 C ATOM 1015 O HIS A 64 -4.559 -11.153 0.603 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.242 -12.219 2.485 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.453 -13.500 1.725 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.230 -13.598 0.361 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -6.865 -14.747 2.127 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -6.504 -14.863 -0.005 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -6.895 -15.606 1.034 1.00 0.00 N ATOM 0 H HIS A 64 -3.991 -11.389 4.656 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.360 -13.008 3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.831 -12.227 3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.587 -11.372 1.892 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.915 -12.847 -0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.126 -15.019 3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.418 -15.233 -1.016 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.664 -11.886 1.587 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.804 -11.546 0.449 1.00 0.00 C ATOM 1031 C LEU A 65 -1.189 -12.804 -0.185 1.00 0.00 C ATOM 1032 O LEU A 65 -0.525 -12.721 -1.216 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.720 -10.573 0.917 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.384 -9.284 1.425 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.324 -8.369 2.048 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.094 -8.555 0.263 1.00 0.00 C ATOM 0 H LEU A 65 -2.171 -12.302 2.377 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.406 -11.068 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.125 -11.027 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.039 -10.347 0.097 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.126 -9.541 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.798 -7.455 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.155 -8.882 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.426 -8.118 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.560 -7.643 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.365 -8.301 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.858 -9.206 -0.162 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.451 -13.962 0.423 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.957 -15.250 -0.087 1.00 0.00 C ATOM 1050 C GLN A 66 0.549 -15.236 -0.377 1.00 0.00 C ATOM 1051 O GLN A 66 1.050 -14.435 -1.163 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.741 -15.647 -1.346 1.00 0.00 C ATOM 1053 CG GLN A 66 -3.117 -16.189 -0.944 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.918 -16.561 -2.187 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.413 -16.463 -3.306 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -5.144 -16.988 -2.057 1.00 0.00 N ATOM 0 H GLN A 66 -2.006 -14.038 1.275 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.117 -15.991 0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.856 -14.784 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.191 -16.403 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.999 -17.063 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.657 -15.439 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.560 -17.068 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.686 -17.241 -2.883 1.00 0.00 H new ATOM 1065 N TRP A 67 1.247 -16.155 0.286 1.00 0.00 N ATOM 1066 CA TRP A 67 2.698 -16.298 0.163 1.00 0.00 C ATOM 1067 C TRP A 67 3.165 -16.635 -1.254 1.00 0.00 C ATOM 1068 O TRP A 67 4.313 -16.368 -1.605 1.00 0.00 O ATOM 1069 CB TRP A 67 3.166 -17.417 1.092 1.00 0.00 C ATOM 1070 CG TRP A 67 2.636 -17.191 2.469 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.543 -17.794 2.981 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.156 -16.320 3.516 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.358 -17.356 4.281 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.328 -16.445 4.655 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.255 -15.444 3.587 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.578 -15.725 5.825 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.510 -14.718 4.762 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.675 -14.860 5.879 1.00 0.00 C ATOM 0 H TRP A 67 0.821 -16.825 0.927 1.00 0.00 H new ATOM 0 HA TRP A 67 3.127 -15.332 0.428 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.824 -18.381 0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.255 -17.452 1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.915 -18.503 2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.600 -17.667 4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.906 -15.329 2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.929 -15.835 6.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.355 -14.046 4.805 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.879 -14.302 6.781 1.00 0.00 H new ATOM 1089 N THR A 68 2.306 -17.267 -2.051 1.00 0.00 N ATOM 1090 CA THR A 68 2.690 -17.681 -3.406 1.00 0.00 C ATOM 1091 C THR A 68 2.104 -16.761 -4.464 1.00 0.00 C ATOM 1092 O THR A 68 1.950 -17.154 -5.620 1.00 0.00 O ATOM 1093 CB THR A 68 2.212 -19.111 -3.654 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.794 -19.155 -3.589 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.805 -20.032 -2.586 1.00 0.00 C ATOM 0 H THR A 68 1.349 -17.503 -1.789 1.00 0.00 H new ATOM 0 HA THR A 68 3.776 -17.626 -3.479 1.00 0.00 H new ATOM 0 HB THR A 68 2.537 -19.441 -4.641 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.487 -20.072 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.467 -21.054 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.893 -19.996 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.478 -19.703 -1.600 1.00 0.00 H new ATOM 1103 N MET A 69 1.770 -15.540 -4.069 1.00 0.00 N ATOM 1104 CA MET A 69 1.188 -14.582 -5.003 1.00 0.00 C ATOM 1105 C MET A 69 1.613 -13.159 -4.666 1.00 0.00 C ATOM 1106 O MET A 69 1.297 -12.646 -3.592 1.00 0.00 O ATOM 1107 CB MET A 69 -0.339 -14.674 -4.929 1.00 0.00 C ATOM 1108 CG MET A 69 -0.852 -15.933 -5.641 1.00 0.00 C ATOM 1109 SD MET A 69 -0.484 -15.842 -7.415 1.00 0.00 S ATOM 1110 CE MET A 69 -1.657 -14.537 -7.877 1.00 0.00 C ATOM 0 H MET A 69 1.890 -15.190 -3.118 1.00 0.00 H new ATOM 0 HA MET A 69 1.540 -14.822 -6.006 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.655 -14.688 -3.886 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.782 -13.789 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.386 -16.819 -5.210 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.927 -16.033 -5.490 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.277 -14.881 -8.705 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.292 -14.299 -7.023 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.108 -13.645 -8.180 1.00 0.00 H new ATOM 1120 N GLY A 70 2.306 -12.514 -5.598 1.00 0.00 N ATOM 1121 CA GLY A 70 2.735 -11.143 -5.392 1.00 0.00 C ATOM 1122 C GLY A 70 1.589 -10.190 -5.687 1.00 0.00 C ATOM 1123 O GLY A 70 0.605 -10.568 -6.322 1.00 0.00 O ATOM 0 H GLY A 70 2.579 -12.917 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.074 -11.010 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.582 -10.917 -6.039 1.00 0.00 H new ATOM 1127 N TYR A 71 1.703 -8.955 -5.213 1.00 0.00 N ATOM 1128 CA TYR A 71 0.645 -7.978 -5.433 1.00 0.00 C ATOM 1129 C TYR A 71 1.197 -6.552 -5.363 1.00 0.00 C ATOM 1130 O TYR A 71 1.945 -6.207 -4.448 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.466 -8.215 -4.397 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.090 -7.643 -3.048 1.00 0.00 C ATOM 1133 CD1 TYR A 71 0.909 -8.244 -2.274 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -0.773 -6.525 -2.558 1.00 0.00 C ATOM 1135 CE1 TYR A 71 1.221 -7.724 -1.010 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -0.459 -6.004 -1.305 1.00 0.00 C ATOM 1137 CZ TYR A 71 0.534 -6.600 -0.528 1.00 0.00 C ATOM 1138 OH TYR A 71 0.821 -6.088 0.719 1.00 0.00 O ATOM 0 H TYR A 71 2.503 -8.611 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 71 0.227 -8.101 -6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.393 -7.757 -4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.655 -9.284 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.439 -9.107 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.547 -6.064 -3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.989 -8.188 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.985 -5.137 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 71 0.014 -5.684 1.101 1.00 0.00 H new ATOM 1148 N GLU A 72 0.836 -5.732 -6.359 1.00 0.00 N ATOM 1149 CA GLU A 72 1.316 -4.346 -6.429 1.00 0.00 C ATOM 1150 C GLU A 72 0.405 -3.414 -5.633 1.00 0.00 C ATOM 1151 O GLU A 72 -0.785 -3.676 -5.485 1.00 0.00 O ATOM 1152 CB GLU A 72 1.385 -3.869 -7.903 1.00 0.00 C ATOM 1153 CG GLU A 72 1.450 -5.072 -8.852 1.00 0.00 C ATOM 1154 CD GLU A 72 1.952 -4.628 -10.224 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.709 -3.488 -10.582 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.570 -5.438 -10.894 1.00 0.00 O ATOM 0 H GLU A 72 0.217 -6.002 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 72 2.315 -4.316 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.511 -3.261 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.261 -3.237 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.113 -5.834 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.463 -5.525 -8.946 1.00 0.00 H new ATOM 1163 N VAL A 73 0.977 -2.317 -5.133 1.00 0.00 N ATOM 1164 CA VAL A 73 0.213 -1.331 -4.359 1.00 0.00 C ATOM 1165 C VAL A 73 0.411 0.065 -4.936 1.00 0.00 C ATOM 1166 O VAL A 73 1.530 0.474 -5.226 1.00 0.00 O ATOM 1167 CB VAL A 73 0.675 -1.326 -2.895 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.430 -0.747 -2.002 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.998 -2.755 -2.455 1.00 0.00 C ATOM 0 H VAL A 73 1.964 -2.087 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.841 -1.606 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 73 1.568 -0.708 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.096 -0.746 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.651 0.274 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.329 -1.357 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.326 -2.750 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.107 -3.376 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.791 -3.159 -3.084 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.684 0.798 -5.082 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.641 2.159 -5.604 1.00 0.00 C ATOM 1181 C GLN A 74 -1.296 3.110 -4.613 1.00 0.00 C ATOM 1182 O GLN A 74 -2.516 3.123 -4.448 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.347 2.210 -6.954 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.408 3.653 -7.461 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.959 3.685 -8.882 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -1.952 2.668 -9.576 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.441 4.800 -9.359 1.00 0.00 N ATOM 0 H GLN A 74 -1.620 0.471 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 74 0.395 2.468 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.818 1.585 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.355 1.806 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.039 4.251 -6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.413 4.097 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.446 5.641 -8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.813 4.830 -10.308 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.455 3.890 -3.951 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.905 4.855 -2.949 1.00 0.00 C ATOM 1198 C ILE A 75 -1.154 6.214 -3.592 1.00 0.00 C ATOM 1199 O ILE A 75 -0.317 6.713 -4.327 1.00 0.00 O ATOM 1200 CB ILE A 75 0.183 4.946 -1.842 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.133 3.979 -0.696 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.347 6.370 -1.294 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.049 2.547 -1.192 1.00 0.00 C ATOM 0 H ILE A 75 0.555 3.875 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.847 4.531 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 75 1.128 4.664 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.525 4.171 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.154 4.130 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.119 6.377 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.636 7.040 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.597 6.705 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.174 1.851 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.627 2.362 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.078 2.404 -1.521 1.00 0.00 H new ATOM 1215 N THR A 76 -2.298 6.823 -3.290 1.00 0.00 N ATOM 1216 CA THR A 76 -2.617 8.144 -3.827 1.00 0.00 C ATOM 1217 C THR A 76 -3.151 9.010 -2.699 1.00 0.00 C ATOM 1218 O THR A 76 -4.133 8.661 -2.050 1.00 0.00 O ATOM 1219 CB THR A 76 -3.649 8.038 -4.951 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.272 6.997 -5.841 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.706 9.358 -5.720 1.00 0.00 C ATOM 0 H THR A 76 -3.015 6.427 -2.681 1.00 0.00 H new ATOM 0 HA THR A 76 -1.716 8.594 -4.245 1.00 0.00 H new ATOM 0 HB THR A 76 -4.628 7.821 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.933 6.927 -6.561 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.442 9.281 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.991 10.162 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.726 9.573 -6.147 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.484 10.128 -2.451 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.888 11.027 -1.376 1.00 0.00 C ATOM 1231 C ALA A 77 -3.795 12.120 -1.946 1.00 0.00 C ATOM 1232 O ALA A 77 -3.422 12.802 -2.896 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.622 11.623 -0.741 1.00 0.00 C ATOM 0 H ALA A 77 -1.665 10.435 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.448 10.492 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.904 12.299 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.002 10.820 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.061 12.173 -1.496 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.003 12.265 -1.393 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.959 13.257 -1.904 1.00 0.00 C ATOM 1241 C ALA A 78 -6.001 14.530 -1.068 1.00 0.00 C ATOM 1242 O ALA A 78 -6.535 14.549 0.041 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.359 12.645 -1.953 1.00 0.00 C ATOM 0 H ALA A 78 -5.341 11.717 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.621 13.534 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.066 13.383 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.353 11.776 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.657 12.339 -0.950 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.469 15.608 -1.641 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.466 16.917 -0.988 1.00 0.00 C ATOM 1251 C ASN A 79 -6.315 17.889 -1.805 1.00 0.00 C ATOM 1252 O ASN A 79 -7.084 17.470 -2.669 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.030 17.449 -0.874 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.263 17.200 -2.167 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.766 16.538 -3.074 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.059 17.684 -2.301 1.00 0.00 N ATOM 0 H ASN A 79 -5.032 15.601 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.883 16.820 0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.048 18.517 -0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.521 16.962 -0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.533 17.514 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.643 18.233 -1.548 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.176 19.179 -1.535 1.00 0.00 N ATOM 1264 CA ARG A 80 -6.950 20.178 -2.272 1.00 0.00 C ATOM 1265 C ARG A 80 -6.751 19.971 -3.777 1.00 0.00 C ATOM 1266 O ARG A 80 -7.651 20.238 -4.575 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.529 21.610 -1.851 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.739 22.400 -1.329 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.310 23.824 -0.976 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.462 24.595 -0.513 1.00 0.00 N ATOM 1271 CZ ARG A 80 -8.829 24.597 0.767 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -8.161 23.895 1.642 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -9.860 25.301 1.148 1.00 0.00 N ATOM 0 H ARG A 80 -5.548 19.558 -0.826 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.008 20.058 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.762 21.557 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.088 22.130 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.524 22.423 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.156 21.907 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.544 23.800 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.867 24.305 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.997 25.144 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.356 23.343 1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.444 23.898 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.384 25.849 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.142 25.303 2.128 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.580 19.466 -4.152 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.288 19.194 -5.556 1.00 0.00 C ATOM 1289 C LEU A 81 -6.268 18.138 -6.056 1.00 0.00 C ATOM 1290 O LEU A 81 -6.749 18.194 -7.187 1.00 0.00 O ATOM 1291 CB LEU A 81 -3.848 18.670 -5.702 1.00 0.00 C ATOM 1292 CG LEU A 81 -2.833 19.828 -5.677 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.155 20.792 -4.530 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -1.431 19.252 -5.459 1.00 0.00 C ATOM 0 H LEU A 81 -4.822 19.238 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.388 20.109 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.628 17.972 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.751 18.117 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.883 20.368 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.430 21.606 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.157 21.200 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.108 20.257 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.703 20.063 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.402 18.715 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.189 18.567 -6.271 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.538 17.165 -5.186 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.446 16.060 -5.494 1.00 0.00 C ATOM 1308 C GLY A 82 -6.703 14.743 -5.372 1.00 0.00 C ATOM 1309 O GLY A 82 -7.169 13.802 -4.731 1.00 0.00 O ATOM 0 H GLY A 82 -6.135 17.120 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.297 16.074 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.844 16.173 -6.503 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.530 14.700 -5.981 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.686 13.518 -5.939 1.00 0.00 C ATOM 1315 C TYR A 83 -3.240 13.921 -6.177 1.00 0.00 C ATOM 1316 O TYR A 83 -2.914 14.503 -7.211 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.112 12.514 -7.006 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.615 12.390 -7.020 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.379 13.298 -7.759 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.239 11.365 -6.297 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.771 13.187 -7.776 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.635 11.254 -6.316 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.401 12.164 -7.054 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.777 12.056 -7.071 1.00 0.00 O ATOM 0 H TYR A 83 -5.138 15.476 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.787 13.052 -4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.755 12.836 -7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.660 11.543 -6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.893 14.085 -8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.647 10.664 -5.728 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.362 13.889 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.121 10.465 -5.761 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.052 11.293 -6.520 1.00 0.00 H new ATOM 1334 N SER A 84 -2.372 13.592 -5.233 1.00 0.00 N ATOM 1335 CA SER A 84 -0.965 13.912 -5.375 1.00 0.00 C ATOM 1336 C SER A 84 -0.280 12.793 -6.120 1.00 0.00 C ATOM 1337 O SER A 84 -0.811 11.687 -6.217 1.00 0.00 O ATOM 1338 CB SER A 84 -0.306 14.076 -4.006 1.00 0.00 C ATOM 1339 OG SER A 84 -0.302 12.820 -3.339 1.00 0.00 O ATOM 0 H SER A 84 -2.616 13.108 -4.369 1.00 0.00 H new ATOM 0 HA SER A 84 -0.872 14.849 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.713 14.444 -4.121 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.847 14.815 -3.414 1.00 0.00 H new ATOM 0 HG SER A 84 0.448 12.787 -2.709 1.00 0.00 H new ATOM 1345 N GLU A 85 0.908 13.071 -6.626 1.00 0.00 N ATOM 1346 CA GLU A 85 1.664 12.055 -7.341 1.00 0.00 C ATOM 1347 C GLU A 85 1.590 10.738 -6.548 1.00 0.00 C ATOM 1348 O GLU A 85 2.111 10.672 -5.434 1.00 0.00 O ATOM 1349 CB GLU A 85 3.124 12.511 -7.468 1.00 0.00 C ATOM 1350 CG GLU A 85 3.298 13.473 -8.666 1.00 0.00 C ATOM 1351 CD GLU A 85 4.748 13.477 -9.152 1.00 0.00 C ATOM 1352 OE1 GLU A 85 5.418 12.470 -8.990 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.164 14.491 -9.689 1.00 0.00 O ATOM 0 H GLU A 85 1.367 13.979 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 85 1.250 11.904 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.436 13.008 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.771 11.643 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.638 13.172 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.005 14.481 -8.374 1.00 0.00 H new ATOM 1360 N PRO A 86 0.923 9.712 -7.040 1.00 0.00 N ATOM 1361 CA PRO A 86 0.780 8.443 -6.274 1.00 0.00 C ATOM 1362 C PRO A 86 2.078 7.653 -6.193 1.00 0.00 C ATOM 1363 O PRO A 86 2.980 7.832 -7.010 1.00 0.00 O ATOM 1364 CB PRO A 86 -0.289 7.667 -7.050 1.00 0.00 C ATOM 1365 CG PRO A 86 -0.145 8.140 -8.455 1.00 0.00 C ATOM 1366 CD PRO A 86 0.250 9.618 -8.359 1.00 0.00 C ATOM 0 HA PRO A 86 0.510 8.629 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.131 6.591 -6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.287 7.871 -6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.615 7.566 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.078 8.019 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.916 9.909 -9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.621 10.271 -8.412 1.00 0.00 H new ATOM 1374 N THR A 87 2.146 6.746 -5.214 1.00 0.00 N ATOM 1375 CA THR A 87 3.308 5.898 -5.047 1.00 0.00 C ATOM 1376 C THR A 87 2.976 4.493 -5.475 1.00 0.00 C ATOM 1377 O THR A 87 2.135 3.818 -4.880 1.00 0.00 O ATOM 1378 CB THR A 87 3.780 5.852 -3.604 1.00 0.00 C ATOM 1379 OG1 THR A 87 3.942 7.172 -3.105 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.109 5.105 -3.536 1.00 0.00 C ATOM 0 H THR A 87 1.406 6.588 -4.531 1.00 0.00 H new ATOM 0 HA THR A 87 4.103 6.320 -5.662 1.00 0.00 H new ATOM 0 HB THR A 87 3.039 5.335 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.245 7.135 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.453 5.068 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.975 4.090 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.849 5.622 -4.147 1.00 0.00 H new ATOM 1388 N VAL A 88 3.663 4.060 -6.499 1.00 0.00 N ATOM 1389 CA VAL A 88 3.484 2.718 -7.025 1.00 0.00 C ATOM 1390 C VAL A 88 4.530 1.814 -6.399 1.00 0.00 C ATOM 1391 O VAL A 88 5.671 1.751 -6.856 1.00 0.00 O ATOM 1392 CB VAL A 88 3.638 2.718 -8.546 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.349 1.316 -9.085 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.649 3.714 -9.157 1.00 0.00 C ATOM 0 H VAL A 88 4.359 4.617 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 88 2.484 2.358 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 88 4.655 3.007 -8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.458 1.313 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.051 0.606 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.331 1.028 -8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.757 3.715 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.632 3.424 -8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.853 4.713 -8.771 1.00 0.00 H new ATOM 1404 N TYR A 89 4.133 1.121 -5.337 1.00 0.00 N ATOM 1405 CA TYR A 89 5.040 0.218 -4.631 1.00 0.00 C ATOM 1406 C TYR A 89 4.765 -1.218 -5.062 1.00 0.00 C ATOM 1407 O TYR A 89 3.642 -1.703 -4.929 1.00 0.00 O ATOM 1408 CB TYR A 89 4.835 0.360 -3.120 1.00 0.00 C ATOM 1409 CG TYR A 89 5.736 -0.604 -2.369 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.131 -0.552 -2.538 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.178 -1.541 -1.483 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.954 -1.432 -1.830 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.007 -2.421 -0.779 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.395 -2.366 -0.949 1.00 0.00 C ATOM 1415 OH TYR A 89 8.210 -3.229 -0.246 1.00 0.00 O ATOM 0 H TYR A 89 3.192 1.166 -4.946 1.00 0.00 H new ATOM 0 HA TYR A 89 6.071 0.473 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.050 1.383 -2.812 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.793 0.164 -2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.566 0.168 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.108 -1.582 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.025 -1.392 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.575 -3.144 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 89 7.660 -3.810 0.320 1.00 0.00 H new ATOM 1425 N GLU A 90 5.782 -1.893 -5.596 1.00 0.00 N ATOM 1426 CA GLU A 90 5.626 -3.271 -6.066 1.00 0.00 C ATOM 1427 C GLU A 90 6.602 -4.210 -5.364 1.00 0.00 C ATOM 1428 O GLU A 90 7.802 -3.950 -5.299 1.00 0.00 O ATOM 1429 CB GLU A 90 5.862 -3.320 -7.578 1.00 0.00 C ATOM 1430 CG GLU A 90 7.048 -2.422 -7.934 1.00 0.00 C ATOM 1431 CD GLU A 90 7.507 -2.705 -9.359 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.402 -3.847 -9.776 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.956 -1.779 -10.012 1.00 0.00 O ATOM 0 H GLU A 90 6.720 -1.511 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 90 4.613 -3.601 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.059 -4.344 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.969 -2.989 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.764 -1.374 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.868 -2.596 -7.238 1.00 0.00 H new ATOM 1440 N PHE A 91 6.062 -5.307 -4.847 1.00 0.00 N ATOM 1441 CA PHE A 91 6.868 -6.304 -4.154 1.00 0.00 C ATOM 1442 C PHE A 91 6.087 -7.605 -3.999 1.00 0.00 C ATOM 1443 O PHE A 91 4.954 -7.606 -3.519 1.00 0.00 O ATOM 1444 CB PHE A 91 7.289 -5.769 -2.779 1.00 0.00 C ATOM 1445 CG PHE A 91 6.099 -5.759 -1.840 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.046 -4.860 -2.048 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.048 -6.655 -0.762 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.945 -4.853 -1.180 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.949 -6.646 0.104 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.901 -5.745 -0.105 1.00 0.00 C ATOM 0 H PHE A 91 5.068 -5.529 -4.895 1.00 0.00 H new ATOM 0 HA PHE A 91 7.762 -6.507 -4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.084 -6.390 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.692 -4.761 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.082 -4.171 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.857 -7.352 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.133 -4.160 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.910 -7.336 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.055 -5.738 0.566 1.00 0.00 H new ATOM 1460 N SER A 92 6.701 -8.708 -4.414 1.00 0.00 N ATOM 1461 CA SER A 92 6.059 -10.010 -4.318 1.00 0.00 C ATOM 1462 C SER A 92 6.181 -10.563 -2.903 1.00 0.00 C ATOM 1463 O SER A 92 6.932 -10.033 -2.084 1.00 0.00 O ATOM 1464 CB SER A 92 6.680 -10.984 -5.320 1.00 0.00 C ATOM 1465 OG SER A 92 8.097 -10.900 -5.250 1.00 0.00 O ATOM 0 H SER A 92 7.638 -8.725 -4.818 1.00 0.00 H new ATOM 0 HA SER A 92 5.002 -9.890 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.355 -12.001 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.341 -10.749 -6.329 1.00 0.00 H new ATOM 0 HG SER A 92 8.494 -11.526 -5.891 1.00 0.00 H new ATOM 1471 N MET A 93 5.421 -11.618 -2.611 1.00 0.00 N ATOM 1472 CA MET A 93 5.440 -12.215 -1.277 1.00 0.00 C ATOM 1473 C MET A 93 6.434 -13.377 -1.177 1.00 0.00 C ATOM 1474 O MET A 93 6.614 -14.127 -2.136 1.00 0.00 O ATOM 1475 CB MET A 93 4.059 -12.772 -0.940 1.00 0.00 C ATOM 1476 CG MET A 93 3.045 -11.646 -0.750 1.00 0.00 C ATOM 1477 SD MET A 93 1.690 -12.283 0.261 1.00 0.00 S ATOM 1478 CE MET A 93 2.333 -11.769 1.870 1.00 0.00 C ATOM 0 H MET A 93 4.791 -12.072 -3.272 1.00 0.00 H new ATOM 0 HA MET A 93 5.737 -11.426 -0.585 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.726 -13.435 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.117 -13.371 -0.031 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.513 -10.789 -0.265 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.672 -11.302 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.780 -12.275 2.661 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.389 -12.031 1.940 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.219 -10.691 1.980 1.00 0.00 H new ATOM 1488 N PRO A 94 7.031 -13.578 -0.021 1.00 0.00 N ATOM 1489 CA PRO A 94 7.963 -14.718 0.211 1.00 0.00 C ATOM 1490 C PRO A 94 7.179 -16.018 0.395 1.00 0.00 C ATOM 1491 O PRO A 94 5.984 -15.982 0.679 1.00 0.00 O ATOM 1492 CB PRO A 94 8.680 -14.325 1.508 1.00 0.00 C ATOM 1493 CG PRO A 94 7.675 -13.509 2.254 1.00 0.00 C ATOM 1494 CD PRO A 94 6.895 -12.740 1.189 1.00 0.00 C ATOM 0 HA PRO A 94 8.649 -14.893 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.981 -15.204 2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.585 -13.752 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.013 -14.145 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.163 -12.827 2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.850 -12.613 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.307 -11.743 1.033 1.00 0.00 H new ATOM 1502 N PRO A 95 7.816 -17.149 0.255 1.00 0.00 N ATOM 1503 CA PRO A 95 7.140 -18.472 0.431 1.00 0.00 C ATOM 1504 C PRO A 95 6.656 -18.670 1.869 1.00 0.00 C ATOM 1505 O PRO A 95 7.203 -18.078 2.800 1.00 0.00 O ATOM 1506 CB PRO A 95 8.232 -19.491 0.053 1.00 0.00 C ATOM 1507 CG PRO A 95 9.522 -18.764 0.267 1.00 0.00 C ATOM 1508 CD PRO A 95 9.238 -17.307 -0.090 1.00 0.00 C ATOM 0 HA PRO A 95 6.244 -18.571 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.173 -20.384 0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.128 -19.817 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.857 -18.856 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.312 -19.175 -0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.869 -16.623 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.421 -17.108 -1.146 1.00 0.00 H new ATOM 1516 N LYS A 96 5.623 -19.502 2.034 1.00 0.00 N ATOM 1517 CA LYS A 96 5.053 -19.776 3.358 1.00 0.00 C ATOM 1518 C LYS A 96 6.158 -19.808 4.432 1.00 0.00 C ATOM 1519 O LYS A 96 7.181 -20.463 4.238 1.00 0.00 O ATOM 1520 CB LYS A 96 4.321 -21.131 3.326 1.00 0.00 C ATOM 1521 CG LYS A 96 3.705 -21.474 4.703 1.00 0.00 C ATOM 1522 CD LYS A 96 2.310 -20.833 4.844 1.00 0.00 C ATOM 1523 CE LYS A 96 1.239 -21.682 4.139 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.090 -21.394 4.749 1.00 0.00 N ATOM 0 H LYS A 96 5.165 -19.997 1.269 1.00 0.00 H new ATOM 0 HA LYS A 96 4.351 -18.981 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.535 -21.104 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.018 -21.916 3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.628 -22.556 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.358 -21.117 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.059 -20.728 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.322 -19.830 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.221 -21.455 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.475 -22.742 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.820 -21.965 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.066 -21.631 5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.313 -20.385 4.635 1.00 0.00 H new ATOM 1538 N PRO A 97 5.984 -19.131 5.552 1.00 0.00 N ATOM 1539 CA PRO A 97 7.013 -19.129 6.632 1.00 0.00 C ATOM 1540 C PRO A 97 7.148 -20.489 7.312 1.00 0.00 C ATOM 1541 O PRO A 97 6.160 -21.180 7.561 1.00 0.00 O ATOM 1542 CB PRO A 97 6.518 -18.057 7.616 1.00 0.00 C ATOM 1543 CG PRO A 97 5.045 -17.955 7.391 1.00 0.00 C ATOM 1544 CD PRO A 97 4.810 -18.304 5.920 1.00 0.00 C ATOM 0 HA PRO A 97 8.009 -18.919 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.739 -18.338 8.646 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.009 -17.101 7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.504 -18.639 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.686 -16.950 7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.878 -18.853 5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.745 -17.408 5.303 1.00 0.00 H new ATOM 1552 N ASN A 98 8.389 -20.845 7.629 1.00 0.00 N ATOM 1553 CA ASN A 98 8.692 -22.102 8.311 1.00 0.00 C ATOM 1554 C ASN A 98 9.460 -21.786 9.587 1.00 0.00 C ATOM 1555 O ASN A 98 9.281 -22.432 10.619 1.00 0.00 O ATOM 1556 CB ASN A 98 9.544 -23.000 7.410 1.00 0.00 C ATOM 1557 CG ASN A 98 8.752 -23.406 6.172 1.00 0.00 C ATOM 1558 OD1 ASN A 98 9.335 -23.632 5.112 1.00 0.00 O ATOM 1559 ND2 ASN A 98 7.455 -23.519 6.241 1.00 0.00 N ATOM 0 H ASN A 98 9.210 -20.275 7.423 1.00 0.00 H new ATOM 0 HA ASN A 98 7.765 -22.624 8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.452 -22.474 7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.855 -23.889 7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.923 -23.795 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.973 -23.331 7.120 1.00 0.00 H new ATOM 1566 N ILE A 99 10.308 -20.761 9.491 1.00 0.00 N ATOM 1567 CA ILE A 99 11.119 -20.301 10.614 1.00 0.00 C ATOM 1568 C ILE A 99 10.968 -18.791 10.766 1.00 0.00 C ATOM 1569 O ILE A 99 11.781 -18.146 11.425 1.00 0.00 O ATOM 1570 CB ILE A 99 12.586 -20.658 10.378 1.00 0.00 C ATOM 1571 CG1 ILE A 99 13.039 -20.091 9.032 1.00 0.00 C ATOM 1572 CG2 ILE A 99 12.750 -22.180 10.375 1.00 0.00 C ATOM 1573 CD1 ILE A 99 14.533 -20.359 8.839 1.00 0.00 C ATOM 0 H ILE A 99 10.450 -20.228 8.633 1.00 0.00 H new ATOM 0 HA ILE A 99 10.781 -20.790 11.527 1.00 0.00 H new ATOM 0 HB ILE A 99 13.195 -20.231 11.175 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.470 -20.549 8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.843 -19.019 8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.797 -22.433 10.207 1.00 0.00 H new ATOM 0 HG22 ILE A 99 12.430 -22.582 11.336 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.140 -22.610 9.580 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.854 -19.954 7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 99 15.095 -19.881 9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.715 -21.433 8.859 1.00 0.00 H new ATOM 1585 N ILE A 100 9.900 -18.264 10.149 1.00 0.00 N ATOM 1586 CA ILE A 100 9.548 -16.839 10.170 1.00 0.00 C ATOM 1587 C ILE A 100 10.662 -15.958 10.748 1.00 0.00 C ATOM 1588 O ILE A 100 10.990 -16.028 11.932 1.00 0.00 O ATOM 1589 CB ILE A 100 8.228 -16.690 10.955 1.00 0.00 C ATOM 1590 CG1 ILE A 100 8.058 -15.291 11.556 1.00 0.00 C ATOM 1591 CG2 ILE A 100 8.202 -17.720 12.078 1.00 0.00 C ATOM 1592 CD1 ILE A 100 8.033 -14.239 10.443 1.00 0.00 C ATOM 0 H ILE A 100 9.244 -18.830 9.611 1.00 0.00 H new ATOM 0 HA ILE A 100 9.418 -16.487 9.147 1.00 0.00 H new ATOM 0 HB ILE A 100 7.407 -16.849 10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.134 -15.244 12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.875 -15.082 12.247 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.273 -17.623 12.639 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.267 -18.722 11.654 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.048 -17.553 12.745 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.912 -13.248 10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.969 -14.277 9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.201 -14.442 9.769 1.00 0.00 H new ATOM 1604 N LYS A 101 11.212 -15.110 9.887 1.00 0.00 N ATOM 1605 CA LYS A 101 12.275 -14.182 10.276 1.00 0.00 C ATOM 1606 C LYS A 101 11.921 -12.769 9.825 1.00 0.00 C ATOM 1607 O LYS A 101 11.904 -11.837 10.628 1.00 0.00 O ATOM 1608 CB LYS A 101 13.595 -14.612 9.643 1.00 0.00 C ATOM 1609 CG LYS A 101 14.039 -15.932 10.276 1.00 0.00 C ATOM 1610 CD LYS A 101 15.419 -16.331 9.743 1.00 0.00 C ATOM 1611 CE LYS A 101 15.316 -16.823 8.293 1.00 0.00 C ATOM 1612 NZ LYS A 101 16.578 -17.525 7.924 1.00 0.00 N ATOM 0 H LYS A 101 10.939 -15.044 8.907 1.00 0.00 H new ATOM 0 HA LYS A 101 12.379 -14.194 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.476 -14.731 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.355 -13.845 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.074 -15.831 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.314 -16.714 10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.096 -15.478 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.844 -17.115 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.466 -17.496 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.144 -15.981 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.514 -17.861 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.380 -16.868 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.722 -18.336 8.559 1.00 0.00 H new ATOM 1626 N ASP A 102 11.622 -12.633 8.533 1.00 0.00 N ATOM 1627 CA ASP A 102 11.249 -11.344 7.953 1.00 0.00 C ATOM 1628 C ASP A 102 10.943 -11.505 6.468 1.00 0.00 C ATOM 1629 O ASP A 102 9.775 -11.492 6.117 1.00 0.00 O ATOM 1630 CB ASP A 102 12.381 -10.325 8.121 1.00 0.00 C ATOM 1631 CG ASP A 102 11.949 -8.978 7.552 1.00 0.00 C ATOM 1632 OD1 ASP A 102 10.889 -8.925 6.951 1.00 0.00 O ATOM 1633 OD2 ASP A 102 12.682 -8.019 7.727 1.00 0.00 O ATOM 0 H ASP A 102 11.631 -13.404 7.866 1.00 0.00 H new ATOM 0 HA ASP A 102 10.363 -10.984 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.635 -10.220 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.278 -10.676 7.610 1.00 0.00 H new TER 1638 ASP A 102