USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -89:sc= 0.893 USER MOD Set 1.2: A 71 TYR OH : rot 15:sc= 0.144 USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.13 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= -1.81 (180deg=-2.02) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.47) USER MOD Single : A 14 GLN : amide:sc= -8.19! C(o=-8.2!,f=-16!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0166 X(o=-0.017,f=0.062) USER MOD Single : A 23 THR OG1 : rot 144:sc= -4.35! USER MOD Single : A 24 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.2!) USER MOD Single : A 27 SER OG : rot 85:sc= 0.318 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 140:sc= -1.81! USER MOD Single : A 44 MET CE :methyl -174:sc= 0 (180deg=-0.0807) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00777) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 66 GLN : amide:sc= -1.1! C(o=-1.1!,f=-3.7!) USER MOD Single : A 73 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.672 -8.597 -10.763 1.00 0.00 N ATOM 2 CA SER A 1 -1.847 -9.904 -10.152 1.00 0.00 C ATOM 3 C SER A 1 -3.005 -9.863 -9.153 1.00 0.00 C ATOM 4 O SER A 1 -3.683 -8.845 -9.023 1.00 0.00 O ATOM 5 CB SER A 1 -0.563 -10.364 -9.458 1.00 0.00 C ATOM 6 OG SER A 1 0.392 -10.872 -10.386 1.00 0.00 O ATOM 0 H1 SER A 1 -1.781 -8.678 -11.794 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.387 -7.941 -10.390 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.722 -8.235 -10.543 1.00 0.00 H new ATOM 0 HA SER A 1 -2.079 -10.622 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.127 -9.528 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.803 -11.135 -8.726 1.00 0.00 H new ATOM 0 HG SER A 1 1.198 -11.154 -9.905 1.00 0.00 H new ATOM 12 N THR A 2 -3.196 -10.984 -8.472 1.00 0.00 N ATOM 13 CA THR A 2 -4.260 -11.089 -7.488 1.00 0.00 C ATOM 14 C THR A 2 -3.832 -10.446 -6.167 1.00 0.00 C ATOM 15 O THR A 2 -4.552 -10.523 -5.173 1.00 0.00 O ATOM 16 CB THR A 2 -4.633 -12.567 -7.352 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.394 -13.253 -7.502 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.481 -13.067 -8.523 1.00 0.00 C ATOM 0 H THR A 2 -2.632 -11.827 -8.582 1.00 0.00 H new ATOM 0 HA THR A 2 -5.148 -10.542 -7.806 1.00 0.00 H new ATOM 0 HB THR A 2 -5.177 -12.720 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.543 -14.219 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.718 -14.121 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.405 -12.491 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.925 -12.946 -9.453 1.00 0.00 H new ATOM 26 N ILE A 3 -2.661 -9.827 -6.200 1.00 0.00 N ATOM 27 CA ILE A 3 -2.127 -9.172 -5.018 1.00 0.00 C ATOM 28 C ILE A 3 -2.572 -7.708 -5.008 1.00 0.00 C ATOM 29 O ILE A 3 -3.110 -7.225 -4.013 1.00 0.00 O ATOM 30 CB ILE A 3 -0.610 -9.354 -4.943 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.160 -9.613 -3.503 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.117 -8.161 -5.565 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.254 -8.311 -2.816 1.00 0.00 C ATOM 0 H ILE A 3 -2.067 -9.765 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.525 -9.634 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.342 -10.234 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.970 -10.082 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.676 -10.312 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.194 -8.316 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.172 -8.064 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.152 -7.251 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.569 -8.523 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.080 -7.857 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.592 -7.623 -2.799 1.00 0.00 H new ATOM 45 N GLU A 4 -2.329 -7.041 -6.127 1.00 0.00 N ATOM 46 CA GLU A 4 -2.698 -5.642 -6.260 1.00 0.00 C ATOM 47 C GLU A 4 -4.185 -5.453 -5.953 1.00 0.00 C ATOM 48 O GLU A 4 -4.546 -4.684 -5.064 1.00 0.00 O ATOM 49 CB GLU A 4 -2.354 -5.114 -7.655 1.00 0.00 C ATOM 50 CG GLU A 4 -3.274 -3.956 -8.044 1.00 0.00 C ATOM 51 CD GLU A 4 -4.462 -4.453 -8.871 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.613 -4.095 -8.581 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.155 -5.238 -9.848 1.00 0.00 O ATOM 0 H GLU A 4 -1.881 -7.444 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.122 -5.065 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.316 -4.782 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.446 -5.918 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.636 -3.457 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.712 -3.217 -8.615 1.00 0.00 H new ATOM 61 N GLU A 5 -5.007 -6.168 -6.706 1.00 0.00 N ATOM 62 CA GLU A 5 -6.447 -6.089 -6.526 1.00 0.00 C ATOM 63 C GLU A 5 -6.797 -6.106 -5.037 1.00 0.00 C ATOM 64 O GLU A 5 -7.793 -5.514 -4.623 1.00 0.00 O ATOM 65 CB GLU A 5 -7.155 -7.224 -7.268 1.00 0.00 C ATOM 66 CG GLU A 5 -6.411 -8.548 -7.085 1.00 0.00 C ATOM 67 CD GLU A 5 -7.326 -9.737 -7.387 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.787 -9.890 -8.528 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.551 -10.520 -6.387 1.00 0.00 O ATOM 0 H GLU A 5 -4.704 -6.805 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.796 -5.148 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.176 -7.323 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.221 -6.984 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.543 -8.576 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.038 -8.622 -6.063 1.00 0.00 H new ATOM 77 N ARG A 6 -5.958 -6.790 -4.272 1.00 0.00 N ATOM 78 CA ARG A 6 -6.167 -6.891 -2.838 1.00 0.00 C ATOM 79 C ARG A 6 -5.441 -5.755 -2.114 1.00 0.00 C ATOM 80 O ARG A 6 -5.916 -5.261 -1.093 1.00 0.00 O ATOM 81 CB ARG A 6 -5.663 -8.232 -2.301 1.00 0.00 C ATOM 82 CG ARG A 6 -6.603 -9.371 -2.700 1.00 0.00 C ATOM 83 CD ARG A 6 -5.904 -10.727 -2.584 1.00 0.00 C ATOM 84 NE ARG A 6 -5.836 -11.141 -1.165 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.885 -11.628 -0.468 1.00 0.00 C ATOM 86 NH1 ARG A 6 -8.093 -11.766 -1.055 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.711 -11.968 0.796 1.00 0.00 N ATOM 0 H ARG A 6 -5.133 -7.279 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.239 -6.818 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.663 -8.429 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.583 -8.186 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.487 -9.358 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.947 -9.222 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.444 -11.475 -3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.899 -10.664 -3.002 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.941 -11.053 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.218 -11.502 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.880 -12.135 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.795 -11.861 1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.493 -12.337 1.337 1.00 0.00 H new ATOM 100 N VAL A 7 -4.301 -5.374 -2.672 1.00 0.00 N ATOM 101 CA VAL A 7 -3.505 -4.305 -2.093 1.00 0.00 C ATOM 102 C VAL A 7 -4.364 -3.045 -1.969 1.00 0.00 C ATOM 103 O VAL A 7 -4.302 -2.345 -0.959 1.00 0.00 O ATOM 104 CB VAL A 7 -2.239 -4.086 -2.924 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.507 -2.817 -2.484 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.317 -5.305 -2.850 1.00 0.00 C ATOM 0 H VAL A 7 -3.910 -5.787 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.176 -4.574 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.539 -3.956 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.611 -2.685 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.163 -1.956 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.225 -2.905 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.425 -5.123 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.029 -5.481 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.840 -6.181 -3.234 1.00 0.00 H new ATOM 116 N LYS A 8 -5.145 -2.795 -3.009 1.00 0.00 N ATOM 117 CA LYS A 8 -6.015 -1.631 -3.029 1.00 0.00 C ATOM 118 C LYS A 8 -6.886 -1.630 -1.772 1.00 0.00 C ATOM 119 O LYS A 8 -7.219 -0.570 -1.244 1.00 0.00 O ATOM 120 CB LYS A 8 -6.815 -1.584 -4.332 1.00 0.00 C ATOM 121 CG LYS A 8 -5.888 -1.637 -5.548 1.00 0.00 C ATOM 122 CD LYS A 8 -4.831 -0.533 -5.480 1.00 0.00 C ATOM 123 CE LYS A 8 -4.624 0.113 -6.851 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.983 1.548 -6.807 1.00 0.00 N ATOM 0 H LYS A 8 -5.194 -3.378 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.426 -0.714 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.512 -2.421 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.411 -0.672 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.400 -2.610 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.473 -1.529 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.138 0.225 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.888 -0.949 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.584 0.001 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.234 -0.398 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.967 1.939 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.936 1.655 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.298 2.059 -6.215 1.00 0.00 H new ATOM 137 N LYS A 9 -7.231 -2.830 -1.328 1.00 0.00 N ATOM 138 CA LYS A 9 -8.057 -2.980 -0.143 1.00 0.00 C ATOM 139 C LYS A 9 -7.322 -2.394 1.064 1.00 0.00 C ATOM 140 O LYS A 9 -7.887 -1.598 1.813 1.00 0.00 O ATOM 141 CB LYS A 9 -8.471 -4.442 0.040 1.00 0.00 C ATOM 142 CG LYS A 9 -9.993 -4.573 0.138 1.00 0.00 C ATOM 143 CD LYS A 9 -10.390 -5.938 0.702 1.00 0.00 C ATOM 144 CE LYS A 9 -11.885 -5.983 1.027 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.111 -6.639 2.334 1.00 0.00 N ATOM 0 H LYS A 9 -6.953 -3.707 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.986 -2.421 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.105 -5.035 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.009 -4.844 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.389 -3.783 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.437 -4.440 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.147 -6.718 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.812 -6.146 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.290 -4.971 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.417 -6.524 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.130 -6.661 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.743 -7.611 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.619 -6.106 3.080 1.00 0.00 H new ATOM 158 N ILE A 10 -6.073 -2.809 1.215 1.00 0.00 N ATOM 159 CA ILE A 10 -5.254 -2.335 2.317 1.00 0.00 C ATOM 160 C ILE A 10 -5.247 -0.805 2.321 1.00 0.00 C ATOM 161 O ILE A 10 -5.695 -0.181 3.282 1.00 0.00 O ATOM 162 CB ILE A 10 -3.857 -2.956 2.254 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.904 -4.447 2.596 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.877 -2.193 3.146 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.622 -5.152 2.150 1.00 0.00 C ATOM 0 H ILE A 10 -5.608 -3.469 0.592 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.677 -2.655 3.269 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.491 -2.872 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.038 -4.573 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.764 -4.908 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.892 -2.655 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.814 -1.157 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.226 -2.222 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.681 -6.210 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.504 -5.044 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.766 -4.705 2.655 1.00 0.00 H new ATOM 177 N ILE A 11 -4.735 -0.245 1.235 1.00 0.00 N ATOM 178 CA ILE A 11 -4.664 1.200 1.101 1.00 0.00 C ATOM 179 C ILE A 11 -6.081 1.777 1.096 1.00 0.00 C ATOM 180 O ILE A 11 -6.279 2.947 1.422 1.00 0.00 O ATOM 181 CB ILE A 11 -3.839 1.584 -0.129 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.508 0.830 -0.154 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.641 3.099 -0.205 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.766 0.983 1.175 1.00 0.00 C ATOM 0 H ILE A 11 -4.365 -0.766 0.440 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.144 1.637 1.954 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.394 1.287 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.688 -0.226 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.887 1.207 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.052 3.345 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.612 3.590 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.118 3.443 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.823 0.437 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.566 2.038 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.379 0.582 1.982 1.00 0.00 H new ATOM 196 N GLY A 12 -7.029 0.931 0.722 1.00 0.00 N ATOM 197 CA GLY A 12 -8.422 1.343 0.671 1.00 0.00 C ATOM 198 C GLY A 12 -9.063 1.284 2.059 1.00 0.00 C ATOM 199 O GLY A 12 -10.111 1.886 2.288 1.00 0.00 O ATOM 0 H GLY A 12 -6.860 -0.038 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.491 2.357 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.971 0.697 -0.015 1.00 0.00 H new ATOM 203 N GLN A 13 -8.406 0.555 2.949 1.00 0.00 N ATOM 204 CA GLN A 13 -8.898 0.410 4.308 1.00 0.00 C ATOM 205 C GLN A 13 -7.952 1.101 5.292 1.00 0.00 C ATOM 206 O GLN A 13 -8.330 2.073 5.944 1.00 0.00 O ATOM 207 CB GLN A 13 -9.084 -1.065 4.670 1.00 0.00 C ATOM 208 CG GLN A 13 -10.560 -1.461 4.614 1.00 0.00 C ATOM 209 CD GLN A 13 -11.393 -0.611 5.575 1.00 0.00 C ATOM 210 OE1 GLN A 13 -12.266 0.145 5.179 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.077 -0.776 6.856 1.00 0.00 N ATOM 0 H GLN A 13 -7.537 0.058 2.755 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.874 0.892 4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.511 -1.687 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.692 -1.250 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.934 -1.339 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.667 -2.515 4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.335 -1.425 7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.576 -0.253 7.576 1.00 0.00 H new ATOM 220 N GLN A 14 -6.739 0.573 5.367 1.00 0.00 N ATOM 221 CA GLN A 14 -5.736 1.127 6.260 1.00 0.00 C ATOM 222 C GLN A 14 -5.850 2.652 6.306 1.00 0.00 C ATOM 223 O GLN A 14 -6.161 3.224 7.349 1.00 0.00 O ATOM 224 CB GLN A 14 -4.330 0.694 5.841 1.00 0.00 C ATOM 225 CG GLN A 14 -3.930 -0.613 6.529 1.00 0.00 C ATOM 226 CD GLN A 14 -3.761 -0.409 8.036 1.00 0.00 C ATOM 227 OE1 GLN A 14 -4.290 0.518 8.627 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.996 -1.325 8.623 1.00 0.00 N ATOM 0 H GLN A 14 -6.428 -0.233 4.824 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.916 0.739 7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.293 0.566 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.614 1.476 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.689 -1.373 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.998 -0.983 6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.583 -2.076 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.822 -1.277 9.627 1.00 0.00 H new ATOM 237 N LEU A 15 -5.590 3.267 5.161 1.00 0.00 N ATOM 238 CA LEU A 15 -5.660 4.715 5.058 1.00 0.00 C ATOM 239 C LEU A 15 -7.043 5.188 5.509 1.00 0.00 C ATOM 240 O LEU A 15 -7.178 5.805 6.565 1.00 0.00 O ATOM 241 CB LEU A 15 -5.285 5.169 3.646 1.00 0.00 C ATOM 242 CG LEU A 15 -3.944 4.660 3.111 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.259 5.722 2.248 1.00 0.00 C ATOM 244 CD2 LEU A 15 -3.045 4.182 4.252 1.00 0.00 C ATOM 0 H LEU A 15 -5.331 2.790 4.298 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.932 5.180 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.071 4.849 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.271 6.259 3.628 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.136 3.800 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.309 5.335 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.900 5.973 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.080 6.616 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.099 3.826 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.857 5.008 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.538 3.371 4.788 1.00 0.00 H new ATOM 256 N GLY A 16 -8.035 4.883 4.686 1.00 0.00 N ATOM 257 CA GLY A 16 -9.403 5.270 4.988 1.00 0.00 C ATOM 258 C GLY A 16 -10.064 5.935 3.779 1.00 0.00 C ATOM 259 O GLY A 16 -10.445 7.103 3.840 1.00 0.00 O ATOM 0 H GLY A 16 -7.919 4.373 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.977 4.391 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.412 5.956 5.835 1.00 0.00 H new ATOM 263 N VAL A 17 -10.179 5.163 2.708 1.00 0.00 N ATOM 264 CA VAL A 17 -10.787 5.663 1.487 1.00 0.00 C ATOM 265 C VAL A 17 -11.592 4.541 0.827 1.00 0.00 C ATOM 266 O VAL A 17 -11.710 3.449 1.379 1.00 0.00 O ATOM 267 CB VAL A 17 -9.712 6.248 0.569 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.222 7.599 1.091 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.548 5.271 0.396 1.00 0.00 C ATOM 0 H VAL A 17 -9.861 4.195 2.661 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.481 6.473 1.710 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.160 6.411 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.458 7.993 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.059 8.296 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.799 7.472 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.798 5.711 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.101 5.062 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.914 4.343 -0.042 1.00 0.00 H new ATOM 279 N LYS A 18 -12.125 4.850 -0.346 1.00 0.00 N ATOM 280 CA LYS A 18 -12.916 3.882 -1.087 1.00 0.00 C ATOM 281 C LYS A 18 -11.987 3.025 -1.949 1.00 0.00 C ATOM 282 O LYS A 18 -10.773 3.226 -1.949 1.00 0.00 O ATOM 283 CB LYS A 18 -14.017 4.586 -1.882 1.00 0.00 C ATOM 284 CG LYS A 18 -15.152 5.041 -0.962 1.00 0.00 C ATOM 285 CD LYS A 18 -14.829 6.391 -0.319 1.00 0.00 C ATOM 286 CE LYS A 18 -15.314 7.547 -1.197 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.494 8.756 -0.961 1.00 0.00 N ATOM 0 H LYS A 18 -12.025 5.757 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.431 3.207 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.600 5.447 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.409 3.911 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.078 5.118 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.317 4.294 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.300 6.452 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.754 6.475 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.258 7.262 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.360 7.762 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.836 9.531 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.568 9.036 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.500 8.552 -1.190 1.00 0.00 H new ATOM 300 N GLN A 19 -12.592 2.088 -2.664 1.00 0.00 N ATOM 301 CA GLN A 19 -11.835 1.200 -3.529 1.00 0.00 C ATOM 302 C GLN A 19 -12.012 1.606 -4.993 1.00 0.00 C ATOM 303 O GLN A 19 -12.196 0.754 -5.860 1.00 0.00 O ATOM 304 CB GLN A 19 -12.244 -0.258 -3.311 1.00 0.00 C ATOM 305 CG GLN A 19 -13.703 -0.484 -3.712 1.00 0.00 C ATOM 306 CD GLN A 19 -13.886 -1.852 -4.371 1.00 0.00 C ATOM 307 OE1 GLN A 19 -13.395 -2.118 -5.456 1.00 0.00 O ATOM 308 NE2 GLN A 19 -14.616 -2.704 -3.657 1.00 0.00 N ATOM 0 H GLN A 19 -13.599 1.925 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.779 1.289 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.597 -0.912 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.105 -0.526 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.341 -0.413 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.020 0.300 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.998 -2.417 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.794 -3.644 -4.011 1.00 0.00 H new ATOM 317 N GLU A 20 -11.949 2.910 -5.224 1.00 0.00 N ATOM 318 CA GLU A 20 -12.100 3.440 -6.568 1.00 0.00 C ATOM 319 C GLU A 20 -11.164 4.632 -6.777 1.00 0.00 C ATOM 320 O GLU A 20 -10.422 4.679 -7.757 1.00 0.00 O ATOM 321 CB GLU A 20 -13.554 3.829 -6.844 1.00 0.00 C ATOM 322 CG GLU A 20 -14.396 2.598 -7.183 1.00 0.00 C ATOM 323 CD GLU A 20 -14.250 2.223 -8.660 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.447 3.076 -9.538 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.917 0.997 -8.881 1.00 0.00 O ATOM 0 H GLU A 20 -11.795 3.614 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.826 2.660 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.972 4.331 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.594 4.540 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.088 1.759 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.444 2.796 -6.956 1.00 0.00 H new ATOM 333 N GLU A 21 -11.229 5.566 -5.839 1.00 0.00 N ATOM 334 CA GLU A 21 -10.397 6.755 -5.908 1.00 0.00 C ATOM 335 C GLU A 21 -8.917 6.367 -5.919 1.00 0.00 C ATOM 336 O GLU A 21 -8.116 6.983 -6.621 1.00 0.00 O ATOM 337 CB GLU A 21 -10.705 7.708 -4.752 1.00 0.00 C ATOM 338 CG GLU A 21 -12.034 8.432 -4.977 1.00 0.00 C ATOM 339 CD GLU A 21 -11.858 9.616 -5.931 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.836 9.426 -7.157 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.742 10.765 -5.358 1.00 0.00 O ATOM 0 H GLU A 21 -11.845 5.523 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.622 7.279 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.745 7.150 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.901 8.438 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.767 7.736 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.427 8.784 -4.023 1.00 0.00 H new ATOM 349 N VAL A 22 -8.599 5.348 -5.134 1.00 0.00 N ATOM 350 CA VAL A 22 -7.230 4.870 -5.045 1.00 0.00 C ATOM 351 C VAL A 22 -6.809 4.287 -6.395 1.00 0.00 C ATOM 352 O VAL A 22 -7.403 3.321 -6.871 1.00 0.00 O ATOM 353 CB VAL A 22 -7.098 3.870 -3.895 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.694 3.265 -3.853 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.455 4.523 -2.558 1.00 0.00 C ATOM 0 H VAL A 22 -9.266 4.840 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.552 5.694 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.806 3.060 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.627 2.558 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.493 2.747 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.960 4.058 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.353 3.791 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.783 5.361 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.483 4.883 -2.592 1.00 0.00 H new ATOM 365 N THR A 23 -5.786 4.899 -6.975 1.00 0.00 N ATOM 366 CA THR A 23 -5.279 4.452 -8.261 1.00 0.00 C ATOM 367 C THR A 23 -3.787 4.127 -8.162 1.00 0.00 C ATOM 368 O THR A 23 -3.173 4.326 -7.115 1.00 0.00 O ATOM 369 CB THR A 23 -5.597 5.533 -9.296 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.027 6.718 -8.748 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.093 5.843 -9.378 1.00 0.00 C ATOM 0 H THR A 23 -5.295 5.700 -6.578 1.00 0.00 H new ATOM 0 HA THR A 23 -5.762 3.527 -8.576 1.00 0.00 H new ATOM 0 HB THR A 23 -5.238 5.215 -10.275 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.663 7.270 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.264 6.616 -10.127 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.637 4.941 -9.658 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.446 6.193 -8.408 1.00 0.00 H new ATOM 379 N ASN A 24 -3.247 3.631 -9.266 1.00 0.00 N ATOM 380 CA ASN A 24 -1.839 3.277 -9.317 1.00 0.00 C ATOM 381 C ASN A 24 -0.997 4.553 -9.353 1.00 0.00 C ATOM 382 O ASN A 24 0.063 4.621 -8.732 1.00 0.00 O ATOM 383 CB ASN A 24 -1.521 2.464 -10.573 1.00 0.00 C ATOM 384 CG ASN A 24 -2.166 3.091 -11.810 1.00 0.00 C ATOM 385 OD1 ASN A 24 -1.626 3.988 -12.437 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.349 2.571 -12.126 1.00 0.00 N ATOM 0 H ASN A 24 -3.760 3.466 -10.132 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.609 2.681 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.441 2.408 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.880 1.442 -10.450 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.860 2.922 -12.936 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.745 1.821 -11.559 1.00 0.00 H new ATOM 393 N ASN A 25 -1.499 5.535 -10.088 1.00 0.00 N ATOM 394 CA ASN A 25 -0.806 6.805 -10.214 1.00 0.00 C ATOM 395 C ASN A 25 -1.446 7.826 -9.271 1.00 0.00 C ATOM 396 O ASN A 25 -1.798 8.928 -9.689 1.00 0.00 O ATOM 397 CB ASN A 25 -0.910 7.350 -11.640 1.00 0.00 C ATOM 398 CG ASN A 25 0.220 6.808 -12.518 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.186 6.232 -12.045 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.047 7.026 -13.818 1.00 0.00 N ATOM 0 H ASN A 25 -2.378 5.476 -10.602 1.00 0.00 H new ATOM 0 HA ASN A 25 0.243 6.643 -9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.873 7.074 -12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.870 8.439 -11.621 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.747 6.704 -14.487 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.786 7.515 -14.147 1.00 0.00 H new ATOM 407 N ALA A 26 -1.578 7.423 -8.016 1.00 0.00 N ATOM 408 CA ALA A 26 -2.169 8.288 -7.009 1.00 0.00 C ATOM 409 C ALA A 26 -1.404 8.130 -5.694 1.00 0.00 C ATOM 410 O ALA A 26 -1.522 7.105 -5.023 1.00 0.00 O ATOM 411 CB ALA A 26 -3.656 7.960 -6.863 1.00 0.00 C ATOM 0 H ALA A 26 -1.285 6.508 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.094 9.333 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.099 8.609 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.159 8.118 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.771 6.919 -6.560 1.00 0.00 H new ATOM 417 N SER A 27 -0.638 9.159 -5.364 1.00 0.00 N ATOM 418 CA SER A 27 0.146 9.146 -4.140 1.00 0.00 C ATOM 419 C SER A 27 -0.743 9.501 -2.946 1.00 0.00 C ATOM 420 O SER A 27 -0.659 10.605 -2.412 1.00 0.00 O ATOM 421 CB SER A 27 1.325 10.117 -4.231 1.00 0.00 C ATOM 422 OG SER A 27 1.641 10.448 -5.581 1.00 0.00 O ATOM 0 H SER A 27 -0.543 10.007 -5.922 1.00 0.00 H new ATOM 0 HA SER A 27 0.547 8.142 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.088 11.027 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.198 9.673 -3.753 1.00 0.00 H new ATOM 0 HG SER A 27 1.067 11.184 -5.880 1.00 0.00 H new ATOM 428 N PHE A 28 -1.574 8.543 -2.563 1.00 0.00 N ATOM 429 CA PHE A 28 -2.477 8.740 -1.442 1.00 0.00 C ATOM 430 C PHE A 28 -1.846 9.645 -0.382 1.00 0.00 C ATOM 431 O PHE A 28 -2.529 10.475 0.217 1.00 0.00 O ATOM 432 CB PHE A 28 -2.737 7.362 -0.829 1.00 0.00 C ATOM 433 CG PHE A 28 -1.468 6.549 -0.566 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.924 5.796 -1.560 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.884 6.578 0.662 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.253 5.041 -1.316 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.294 5.822 0.906 1.00 0.00 C ATOM 438 CZ PHE A 28 0.837 5.070 -0.088 1.00 0.00 C ATOM 0 H PHE A 28 -1.641 7.628 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.397 9.213 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.276 7.489 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.387 6.796 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.388 5.773 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.316 7.175 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.685 4.444 -2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.758 5.845 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.732 4.495 0.098 1.00 0.00 H new ATOM 448 N VAL A 29 -0.550 9.455 -0.183 1.00 0.00 N ATOM 449 CA VAL A 29 0.181 10.244 0.794 1.00 0.00 C ATOM 450 C VAL A 29 -0.310 11.693 0.744 1.00 0.00 C ATOM 451 O VAL A 29 -0.863 12.199 1.719 1.00 0.00 O ATOM 452 CB VAL A 29 1.686 10.115 0.552 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.482 10.760 1.688 1.00 0.00 C ATOM 454 CG2 VAL A 29 2.087 8.650 0.364 1.00 0.00 C ATOM 0 H VAL A 29 0.013 8.766 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.006 9.871 1.801 1.00 0.00 H new ATOM 0 HB VAL A 29 1.924 10.649 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.549 10.654 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.229 11.818 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.237 10.268 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.162 8.586 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.827 8.084 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.558 8.235 -0.494 1.00 0.00 H new ATOM 464 N GLU A 30 -0.091 12.319 -0.403 1.00 0.00 N ATOM 465 CA GLU A 30 -0.504 13.698 -0.594 1.00 0.00 C ATOM 466 C GLU A 30 -1.752 13.762 -1.477 1.00 0.00 C ATOM 467 O GLU A 30 -2.739 14.401 -1.117 1.00 0.00 O ATOM 468 CB GLU A 30 0.632 14.534 -1.188 1.00 0.00 C ATOM 469 CG GLU A 30 0.470 16.013 -0.830 1.00 0.00 C ATOM 470 CD GLU A 30 -0.254 16.771 -1.944 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.368 17.272 -1.730 1.00 0.00 O ATOM 472 OE2 GLU A 30 0.381 16.831 -3.065 1.00 0.00 O ATOM 0 H GLU A 30 0.368 11.896 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.751 14.120 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.590 14.169 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.645 14.418 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.089 16.106 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.450 16.459 -0.659 1.00 0.00 H new ATOM 480 N ASP A 31 -1.666 13.090 -2.616 1.00 0.00 N ATOM 481 CA ASP A 31 -2.776 13.062 -3.553 1.00 0.00 C ATOM 482 C ASP A 31 -4.093 13.012 -2.777 1.00 0.00 C ATOM 483 O ASP A 31 -4.852 13.979 -2.771 1.00 0.00 O ATOM 484 CB ASP A 31 -2.708 11.825 -4.451 1.00 0.00 C ATOM 485 CG ASP A 31 -1.789 11.957 -5.666 1.00 0.00 C ATOM 486 OD1 ASP A 31 -0.630 12.382 -5.548 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.314 11.597 -6.789 1.00 0.00 O ATOM 0 H ASP A 31 -0.845 12.561 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.719 13.959 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.374 10.978 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.714 11.592 -4.799 1.00 0.00 H new ATOM 493 N LEU A 32 -4.323 11.873 -2.139 1.00 0.00 N ATOM 494 CA LEU A 32 -5.536 11.683 -1.361 1.00 0.00 C ATOM 495 C LEU A 32 -5.365 12.342 0.009 1.00 0.00 C ATOM 496 O LEU A 32 -5.372 13.567 0.118 1.00 0.00 O ATOM 497 CB LEU A 32 -5.899 10.199 -1.288 1.00 0.00 C ATOM 498 CG LEU A 32 -6.281 9.537 -2.614 1.00 0.00 C ATOM 499 CD1 LEU A 32 -7.772 9.718 -2.908 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.405 10.052 -3.757 1.00 0.00 C ATOM 0 H LEU A 32 -3.690 11.073 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.381 12.170 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.052 9.658 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.731 10.082 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.098 8.466 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.017 9.238 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.358 9.264 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.004 10.781 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.698 9.565 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.532 11.130 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.360 9.828 -3.544 1.00 0.00 H new ATOM 512 N GLY A 33 -5.216 11.500 1.021 1.00 0.00 N ATOM 513 CA GLY A 33 -5.044 11.985 2.380 1.00 0.00 C ATOM 514 C GLY A 33 -4.482 10.888 3.287 1.00 0.00 C ATOM 515 O GLY A 33 -5.233 10.207 3.982 1.00 0.00 O ATOM 0 H GLY A 33 -5.211 10.484 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.372 12.843 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.001 12.330 2.771 1.00 0.00 H new ATOM 519 N ALA A 34 -3.164 10.752 3.250 1.00 0.00 N ATOM 520 CA ALA A 34 -2.493 9.750 4.060 1.00 0.00 C ATOM 521 C ALA A 34 -1.183 10.329 4.598 1.00 0.00 C ATOM 522 O ALA A 34 -0.116 10.091 4.034 1.00 0.00 O ATOM 523 CB ALA A 34 -2.272 8.485 3.228 1.00 0.00 C ATOM 0 H ALA A 34 -2.544 11.319 2.672 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.108 9.474 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.769 7.733 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.234 8.097 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.656 8.723 2.361 1.00 0.00 H new ATOM 529 N ASP A 35 -1.307 11.079 5.684 1.00 0.00 N ATOM 530 CA ASP A 35 -0.146 11.694 6.305 1.00 0.00 C ATOM 531 C ASP A 35 -0.028 11.206 7.750 1.00 0.00 C ATOM 532 O ASP A 35 0.285 11.986 8.648 1.00 0.00 O ATOM 533 CB ASP A 35 -0.278 13.218 6.330 1.00 0.00 C ATOM 534 CG ASP A 35 0.978 13.983 5.908 1.00 0.00 C ATOM 535 OD1 ASP A 35 1.329 14.029 4.720 1.00 0.00 O ATOM 536 OD2 ASP A 35 1.617 14.555 6.872 1.00 0.00 O ATOM 0 H ASP A 35 -2.193 11.274 6.149 1.00 0.00 H new ATOM 0 HA ASP A 35 0.734 11.418 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.099 13.507 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.552 13.527 7.339 1.00 0.00 H new ATOM 542 N SER A 36 -0.283 9.918 7.929 1.00 0.00 N ATOM 543 CA SER A 36 -0.209 9.317 9.249 1.00 0.00 C ATOM 544 C SER A 36 -0.148 7.793 9.128 1.00 0.00 C ATOM 545 O SER A 36 0.924 7.200 9.244 1.00 0.00 O ATOM 546 CB SER A 36 -1.402 9.733 10.112 1.00 0.00 C ATOM 547 OG SER A 36 -1.014 10.586 11.185 1.00 0.00 O ATOM 0 H SER A 36 -0.541 9.274 7.181 1.00 0.00 H new ATOM 0 HA SER A 36 0.699 9.673 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.138 10.244 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.887 8.843 10.514 1.00 0.00 H new ATOM 0 HG SER A 36 -1.804 10.830 11.711 1.00 0.00 H new ATOM 553 N LEU A 37 -1.311 7.203 8.895 1.00 0.00 N ATOM 554 CA LEU A 37 -1.402 5.759 8.756 1.00 0.00 C ATOM 555 C LEU A 37 -1.270 5.384 7.279 1.00 0.00 C ATOM 556 O LEU A 37 -1.876 4.414 6.824 1.00 0.00 O ATOM 557 CB LEU A 37 -2.684 5.238 9.411 1.00 0.00 C ATOM 558 CG LEU A 37 -3.154 5.992 10.656 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.635 6.362 10.546 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.856 5.192 11.926 1.00 0.00 C ATOM 0 H LEU A 37 -2.198 7.698 8.799 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.581 5.273 9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.484 5.265 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.533 4.192 9.679 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.593 6.924 10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.944 6.897 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.787 6.998 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.230 5.455 10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.200 5.750 12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.373 4.233 11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.782 5.022 12.005 1.00 0.00 H new ATOM 572 N ASP A 38 -0.475 6.171 6.570 1.00 0.00 N ATOM 573 CA ASP A 38 -0.255 5.933 5.153 1.00 0.00 C ATOM 574 C ASP A 38 0.742 4.786 4.982 1.00 0.00 C ATOM 575 O ASP A 38 0.483 3.839 4.241 1.00 0.00 O ATOM 576 CB ASP A 38 0.327 7.172 4.470 1.00 0.00 C ATOM 577 CG ASP A 38 1.789 7.470 4.808 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.152 7.635 5.982 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.582 7.531 3.792 1.00 0.00 O ATOM 0 H ASP A 38 0.025 6.975 6.950 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.215 5.689 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.237 7.049 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.277 8.037 4.744 1.00 0.00 H new ATOM 585 N THR A 39 1.863 4.909 5.678 1.00 0.00 N ATOM 586 CA THR A 39 2.900 3.895 5.612 1.00 0.00 C ATOM 587 C THR A 39 2.851 3.000 6.853 1.00 0.00 C ATOM 588 O THR A 39 2.680 1.787 6.741 1.00 0.00 O ATOM 589 CB THR A 39 4.244 4.603 5.427 1.00 0.00 C ATOM 590 OG1 THR A 39 4.459 4.576 4.019 1.00 0.00 O ATOM 591 CG2 THR A 39 5.413 3.800 5.999 1.00 0.00 C ATOM 0 H THR A 39 2.075 5.696 6.291 1.00 0.00 H new ATOM 0 HA THR A 39 2.748 3.229 4.763 1.00 0.00 H new ATOM 0 HB THR A 39 4.208 5.581 5.906 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.839 5.432 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.342 4.347 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.260 3.645 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.471 2.834 5.497 1.00 0.00 H new ATOM 599 N VAL A 40 3.004 3.633 8.006 1.00 0.00 N ATOM 600 CA VAL A 40 2.980 2.910 9.266 1.00 0.00 C ATOM 601 C VAL A 40 1.949 1.782 9.182 1.00 0.00 C ATOM 602 O VAL A 40 2.292 0.611 9.337 1.00 0.00 O ATOM 603 CB VAL A 40 2.713 3.878 10.420 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.226 3.129 11.663 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.956 4.712 10.735 1.00 0.00 C ATOM 0 H VAL A 40 3.145 4.639 8.094 1.00 0.00 H new ATOM 0 HA VAL A 40 3.949 2.451 9.461 1.00 0.00 H new ATOM 0 HB VAL A 40 1.922 4.560 10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.044 3.840 12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.302 2.600 11.430 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.985 2.413 11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.739 5.392 11.559 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.776 4.051 11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.240 5.288 9.855 1.00 0.00 H new ATOM 615 N GLU A 41 0.708 2.175 8.936 1.00 0.00 N ATOM 616 CA GLU A 41 -0.375 1.212 8.829 1.00 0.00 C ATOM 617 C GLU A 41 -0.131 0.268 7.649 1.00 0.00 C ATOM 618 O GLU A 41 -0.057 -0.947 7.827 1.00 0.00 O ATOM 619 CB GLU A 41 -1.726 1.918 8.696 1.00 0.00 C ATOM 620 CG GLU A 41 -2.525 1.820 9.997 1.00 0.00 C ATOM 621 CD GLU A 41 -1.734 2.399 11.172 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.712 3.069 10.961 1.00 0.00 O ATOM 623 OE2 GLU A 41 -2.216 2.132 12.338 1.00 0.00 O ATOM 0 H GLU A 41 0.428 3.147 8.808 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.400 0.620 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.569 2.966 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.295 1.471 7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.468 2.356 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.772 0.778 10.199 1.00 0.00 H new ATOM 631 N LEU A 42 -0.013 0.863 6.472 1.00 0.00 N ATOM 632 CA LEU A 42 0.221 0.091 5.263 1.00 0.00 C ATOM 633 C LEU A 42 1.207 -1.039 5.568 1.00 0.00 C ATOM 634 O LEU A 42 1.009 -2.173 5.136 1.00 0.00 O ATOM 635 CB LEU A 42 0.668 1.006 4.121 1.00 0.00 C ATOM 636 CG LEU A 42 1.283 0.309 2.905 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.504 1.299 1.760 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.571 -0.423 3.287 1.00 0.00 C ATOM 0 H LEU A 42 -0.075 1.871 6.329 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.704 -0.375 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.193 1.584 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.395 1.716 4.514 1.00 0.00 H new ATOM 0 HG LEU A 42 0.579 -0.443 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.942 0.778 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.549 1.735 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.179 2.090 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.988 -0.910 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.293 0.292 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.351 -1.174 4.046 1.00 0.00 H new ATOM 650 N VAL A 43 2.248 -0.688 6.309 1.00 0.00 N ATOM 651 CA VAL A 43 3.266 -1.659 6.676 1.00 0.00 C ATOM 652 C VAL A 43 2.592 -2.898 7.267 1.00 0.00 C ATOM 653 O VAL A 43 2.637 -3.976 6.676 1.00 0.00 O ATOM 654 CB VAL A 43 4.280 -1.019 7.626 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.441 -1.974 7.912 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.789 0.312 7.069 1.00 0.00 C ATOM 0 H VAL A 43 2.409 0.254 6.665 1.00 0.00 H new ATOM 0 HA VAL A 43 3.823 -1.981 5.796 1.00 0.00 H new ATOM 0 HB VAL A 43 3.773 -0.815 8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.148 -1.495 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.058 -2.885 8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.946 -2.223 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.508 0.746 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.271 0.143 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.951 0.997 6.940 1.00 0.00 H new ATOM 666 N MET A 44 1.982 -2.705 8.428 1.00 0.00 N ATOM 667 CA MET A 44 1.300 -3.794 9.106 1.00 0.00 C ATOM 668 C MET A 44 0.474 -4.622 8.119 1.00 0.00 C ATOM 669 O MET A 44 0.627 -5.840 8.046 1.00 0.00 O ATOM 670 CB MET A 44 0.382 -3.225 10.189 1.00 0.00 C ATOM 671 CG MET A 44 1.192 -2.524 11.282 1.00 0.00 C ATOM 672 SD MET A 44 0.455 -0.945 11.669 1.00 0.00 S ATOM 673 CE MET A 44 1.771 -0.215 12.629 1.00 0.00 C ATOM 0 H MET A 44 1.946 -1.810 8.916 1.00 0.00 H new ATOM 0 HA MET A 44 2.050 -4.443 9.557 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.319 -2.520 9.743 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.209 -4.028 10.628 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.228 -3.147 12.176 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.221 -2.383 10.950 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.435 0.736 13.042 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.044 -0.888 13.442 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.638 -0.047 11.990 1.00 0.00 H new ATOM 683 N ALA A 45 -0.383 -3.928 7.385 1.00 0.00 N ATOM 684 CA ALA A 45 -1.233 -4.584 6.406 1.00 0.00 C ATOM 685 C ALA A 45 -0.361 -5.370 5.425 1.00 0.00 C ATOM 686 O ALA A 45 -0.336 -6.599 5.459 1.00 0.00 O ATOM 687 CB ALA A 45 -2.103 -3.540 5.705 1.00 0.00 C ATOM 0 H ALA A 45 -0.507 -2.918 7.449 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.903 -5.293 6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.741 -4.032 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.724 -3.030 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.465 -2.813 5.203 1.00 0.00 H new ATOM 693 N LEU A 46 0.333 -4.629 4.575 1.00 0.00 N ATOM 694 CA LEU A 46 1.204 -5.241 3.586 1.00 0.00 C ATOM 695 C LEU A 46 2.070 -6.305 4.264 1.00 0.00 C ATOM 696 O LEU A 46 2.531 -7.242 3.614 1.00 0.00 O ATOM 697 CB LEU A 46 2.011 -4.172 2.847 1.00 0.00 C ATOM 698 CG LEU A 46 1.243 -3.349 1.811 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.150 -2.302 1.161 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.579 -4.256 0.773 1.00 0.00 C ATOM 0 H LEU A 46 0.310 -3.610 4.550 1.00 0.00 H new ATOM 0 HA LEU A 46 0.615 -5.748 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.433 -3.489 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.849 -4.658 2.347 1.00 0.00 H new ATOM 0 HG LEU A 46 0.446 -2.811 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.580 -1.731 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.535 -1.628 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.983 -2.800 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.040 -3.646 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.342 -4.840 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.119 -4.929 1.271 1.00 0.00 H new ATOM 712 N GLU A 47 2.264 -6.125 5.562 1.00 0.00 N ATOM 713 CA GLU A 47 3.066 -7.057 6.336 1.00 0.00 C ATOM 714 C GLU A 47 2.274 -8.337 6.610 1.00 0.00 C ATOM 715 O GLU A 47 2.751 -9.438 6.336 1.00 0.00 O ATOM 716 CB GLU A 47 3.544 -6.418 7.641 1.00 0.00 C ATOM 717 CG GLU A 47 4.872 -5.686 7.438 1.00 0.00 C ATOM 718 CD GLU A 47 5.974 -6.297 8.305 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.227 -5.813 9.418 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.576 -7.313 7.785 1.00 0.00 O ATOM 0 H GLU A 47 1.879 -5.347 6.098 1.00 0.00 H new ATOM 0 HA GLU A 47 3.950 -7.317 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.791 -5.719 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.661 -7.187 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.161 -5.735 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.752 -4.632 7.687 1.00 0.00 H new ATOM 728 N GLU A 48 1.077 -8.151 7.148 1.00 0.00 N ATOM 729 CA GLU A 48 0.215 -9.277 7.463 1.00 0.00 C ATOM 730 C GLU A 48 -0.166 -10.028 6.185 1.00 0.00 C ATOM 731 O GLU A 48 -0.286 -11.252 6.192 1.00 0.00 O ATOM 732 CB GLU A 48 -1.033 -8.817 8.220 1.00 0.00 C ATOM 733 CG GLU A 48 -1.048 -9.380 9.643 1.00 0.00 C ATOM 734 CD GLU A 48 -2.097 -10.484 9.785 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.554 -11.039 8.774 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.436 -10.762 10.998 1.00 0.00 O ATOM 0 H GLU A 48 0.684 -7.237 7.374 1.00 0.00 H new ATOM 0 HA GLU A 48 0.764 -9.959 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.061 -7.728 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.927 -9.142 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.063 -9.775 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.259 -8.580 10.352 1.00 0.00 H new ATOM 744 N GLU A 49 -0.344 -9.262 5.118 1.00 0.00 N ATOM 745 CA GLU A 49 -0.709 -9.840 3.835 1.00 0.00 C ATOM 746 C GLU A 49 0.305 -10.911 3.429 1.00 0.00 C ATOM 747 O GLU A 49 -0.037 -11.857 2.721 1.00 0.00 O ATOM 748 CB GLU A 49 -0.824 -8.758 2.760 1.00 0.00 C ATOM 749 CG GLU A 49 -1.330 -9.347 1.441 1.00 0.00 C ATOM 750 CD GLU A 49 -2.828 -9.091 1.266 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.638 -9.576 2.070 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.141 -8.359 0.251 1.00 0.00 O ATOM 0 H GLU A 49 -0.242 -8.247 5.116 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.687 -10.312 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.504 -7.976 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.148 -8.290 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.782 -8.906 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.136 -10.419 1.419 1.00 0.00 H new ATOM 760 N PHE A 50 1.532 -10.727 3.894 1.00 0.00 N ATOM 761 CA PHE A 50 2.597 -11.666 3.587 1.00 0.00 C ATOM 762 C PHE A 50 3.702 -11.605 4.643 1.00 0.00 C ATOM 763 O PHE A 50 3.736 -12.425 5.560 1.00 0.00 O ATOM 764 CB PHE A 50 3.179 -11.256 2.233 1.00 0.00 C ATOM 765 CG PHE A 50 2.526 -11.953 1.038 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.659 -13.298 0.879 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.812 -11.229 0.135 1.00 0.00 C ATOM 768 CE1 PHE A 50 2.053 -13.945 -0.230 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.205 -11.876 -0.974 1.00 0.00 C ATOM 770 CZ PHE A 50 1.339 -13.221 -1.133 1.00 0.00 C ATOM 0 H PHE A 50 1.812 -9.941 4.481 1.00 0.00 H new ATOM 0 HA PHE A 50 2.203 -12.682 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.072 -10.178 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.247 -11.473 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.225 -13.873 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.707 -10.162 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.159 -15.012 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.637 -11.301 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.878 -13.713 -1.977 1.00 0.00 H new ATOM 780 N ASP A 51 4.580 -10.626 4.480 1.00 0.00 N ATOM 781 CA ASP A 51 5.684 -10.448 5.408 1.00 0.00 C ATOM 782 C ASP A 51 6.738 -9.540 4.771 1.00 0.00 C ATOM 783 O ASP A 51 7.628 -10.015 4.067 1.00 0.00 O ATOM 784 CB ASP A 51 6.349 -11.786 5.737 1.00 0.00 C ATOM 785 CG ASP A 51 6.278 -12.198 7.208 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.241 -12.681 7.687 1.00 0.00 O ATOM 787 OD2 ASP A 51 7.361 -12.004 7.882 1.00 0.00 O ATOM 0 H ASP A 51 4.549 -9.948 3.719 1.00 0.00 H new ATOM 0 HA ASP A 51 5.288 -10.008 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.882 -12.565 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.396 -11.737 5.439 1.00 0.00 H new ATOM 793 N THR A 52 6.603 -8.250 5.041 1.00 0.00 N ATOM 794 CA THR A 52 7.532 -7.271 4.503 1.00 0.00 C ATOM 795 C THR A 52 7.397 -5.941 5.248 1.00 0.00 C ATOM 796 O THR A 52 6.598 -5.089 4.863 1.00 0.00 O ATOM 797 CB THR A 52 7.278 -7.154 2.999 1.00 0.00 C ATOM 798 OG1 THR A 52 8.342 -6.331 2.530 1.00 0.00 O ATOM 799 CG2 THR A 52 6.016 -6.350 2.679 1.00 0.00 C ATOM 0 H THR A 52 5.864 -7.860 5.626 1.00 0.00 H new ATOM 0 HA THR A 52 8.565 -7.585 4.649 1.00 0.00 H new ATOM 0 HB THR A 52 7.192 -8.151 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.076 -5.389 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.882 -6.297 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.151 -6.837 3.128 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.115 -5.342 3.082 1.00 0.00 H new ATOM 807 N GLU A 53 8.189 -5.806 6.301 1.00 0.00 N ATOM 808 CA GLU A 53 8.168 -4.594 7.103 1.00 0.00 C ATOM 809 C GLU A 53 8.657 -3.402 6.277 1.00 0.00 C ATOM 810 O GLU A 53 9.770 -2.919 6.478 1.00 0.00 O ATOM 811 CB GLU A 53 9.005 -4.762 8.372 1.00 0.00 C ATOM 812 CG GLU A 53 10.450 -5.133 8.031 1.00 0.00 C ATOM 813 CD GLU A 53 11.018 -6.121 9.052 1.00 0.00 C ATOM 814 OE1 GLU A 53 12.069 -5.856 9.653 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.325 -7.198 9.212 1.00 0.00 O ATOM 0 H GLU A 53 8.850 -6.516 6.618 1.00 0.00 H new ATOM 0 HA GLU A 53 7.140 -4.402 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.990 -3.836 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.566 -5.536 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.491 -5.571 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.065 -4.233 8.009 1.00 0.00 H new ATOM 823 N ILE A 54 7.801 -2.964 5.366 1.00 0.00 N ATOM 824 CA ILE A 54 8.132 -1.838 4.509 1.00 0.00 C ATOM 825 C ILE A 54 8.630 -0.676 5.371 1.00 0.00 C ATOM 826 O ILE A 54 7.842 -0.024 6.055 1.00 0.00 O ATOM 827 CB ILE A 54 6.943 -1.476 3.616 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.130 -0.095 2.986 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.626 -1.580 4.389 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.548 0.068 2.434 1.00 0.00 C ATOM 0 H ILE A 54 6.879 -3.368 5.202 1.00 0.00 H new ATOM 0 HA ILE A 54 8.942 -2.102 3.829 1.00 0.00 H new ATOM 0 HB ILE A 54 6.896 -2.198 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.405 0.044 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.934 0.678 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.797 -1.318 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.495 -2.600 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.647 -0.896 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.655 1.058 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.269 -0.047 3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.732 -0.691 1.673 1.00 0.00 H new ATOM 842 N PRO A 55 9.969 -0.446 5.308 1.00 0.00 N ATOM 843 CA PRO A 55 10.581 0.626 6.074 1.00 0.00 C ATOM 844 C PRO A 55 10.283 1.989 5.445 1.00 0.00 C ATOM 845 O PRO A 55 9.908 2.069 4.276 1.00 0.00 O ATOM 846 CB PRO A 55 12.064 0.295 6.098 1.00 0.00 C ATOM 847 CG PRO A 55 12.290 -0.689 4.961 1.00 0.00 C ATOM 848 CD PRO A 55 10.931 -1.198 4.509 1.00 0.00 C ATOM 0 HA PRO A 55 10.186 0.698 7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.667 1.193 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.351 -0.141 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.811 -0.205 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.917 -1.517 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.779 -1.028 3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.834 -2.270 4.678 1.00 0.00 H new ATOM 856 N ASP A 56 10.460 3.027 6.249 1.00 0.00 N ATOM 857 CA ASP A 56 10.214 4.382 5.787 1.00 0.00 C ATOM 858 C ASP A 56 11.075 4.659 4.552 1.00 0.00 C ATOM 859 O ASP A 56 10.563 5.077 3.515 1.00 0.00 O ATOM 860 CB ASP A 56 10.585 5.407 6.861 1.00 0.00 C ATOM 861 CG ASP A 56 9.452 6.349 7.274 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.408 7.515 6.857 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.578 5.833 8.071 1.00 0.00 O ATOM 0 H ASP A 56 10.771 2.957 7.218 1.00 0.00 H new ATOM 0 HA ASP A 56 9.153 4.471 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.935 4.874 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.421 6.005 6.498 1.00 0.00 H new ATOM 869 N GLU A 57 12.368 4.414 4.705 1.00 0.00 N ATOM 870 CA GLU A 57 13.304 4.631 3.615 1.00 0.00 C ATOM 871 C GLU A 57 12.733 4.082 2.307 1.00 0.00 C ATOM 872 O GLU A 57 12.955 4.653 1.240 1.00 0.00 O ATOM 873 CB GLU A 57 14.663 4.001 3.927 1.00 0.00 C ATOM 874 CG GLU A 57 14.523 2.504 4.207 1.00 0.00 C ATOM 875 CD GLU A 57 15.878 1.799 4.116 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.416 1.356 5.142 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.373 1.719 2.928 1.00 0.00 O ATOM 0 H GLU A 57 12.789 4.067 5.567 1.00 0.00 H new ATOM 0 HA GLU A 57 13.455 5.704 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.341 4.156 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.107 4.496 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.097 2.354 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.830 2.060 3.493 1.00 0.00 H new ATOM 885 N GLU A 58 12.007 2.981 2.431 1.00 0.00 N ATOM 886 CA GLU A 58 11.402 2.348 1.271 1.00 0.00 C ATOM 887 C GLU A 58 9.951 2.807 1.113 1.00 0.00 C ATOM 888 O GLU A 58 9.389 2.735 0.021 1.00 0.00 O ATOM 889 CB GLU A 58 11.488 0.824 1.371 1.00 0.00 C ATOM 890 CG GLU A 58 12.543 0.270 0.411 1.00 0.00 C ATOM 891 CD GLU A 58 12.053 -1.014 -0.261 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.008 -1.005 -0.928 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.800 -2.048 -0.071 1.00 0.00 O ATOM 0 H GLU A 58 11.824 2.511 3.317 1.00 0.00 H new ATOM 0 HA GLU A 58 11.957 2.652 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.734 0.536 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.517 0.386 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.776 1.016 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.466 0.070 0.955 1.00 0.00 H new ATOM 901 N ALA A 59 9.386 3.268 2.219 1.00 0.00 N ATOM 902 CA ALA A 59 8.011 3.739 2.217 1.00 0.00 C ATOM 903 C ALA A 59 7.914 5.011 1.373 1.00 0.00 C ATOM 904 O ALA A 59 6.816 5.475 1.068 1.00 0.00 O ATOM 905 CB ALA A 59 7.544 3.957 3.657 1.00 0.00 C ATOM 0 H ALA A 59 9.855 3.326 3.123 1.00 0.00 H new ATOM 0 HA ALA A 59 7.351 2.996 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.513 4.310 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.605 3.017 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.181 4.699 4.138 1.00 0.00 H new ATOM 911 N GLU A 60 9.076 5.539 1.018 1.00 0.00 N ATOM 912 CA GLU A 60 9.135 6.748 0.216 1.00 0.00 C ATOM 913 C GLU A 60 9.051 6.402 -1.272 1.00 0.00 C ATOM 914 O GLU A 60 8.450 7.140 -2.052 1.00 0.00 O ATOM 915 CB GLU A 60 10.403 7.548 0.521 1.00 0.00 C ATOM 916 CG GLU A 60 10.131 9.052 0.459 1.00 0.00 C ATOM 917 CD GLU A 60 11.436 9.849 0.527 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.362 9.460 1.253 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.468 10.907 -0.210 1.00 0.00 O ATOM 0 H GLU A 60 9.985 5.151 1.272 1.00 0.00 H new ATOM 0 HA GLU A 60 8.280 7.373 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.775 7.283 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.183 7.286 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.602 9.292 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.480 9.342 1.284 1.00 0.00 H new ATOM 927 N LYS A 61 9.662 5.280 -1.622 1.00 0.00 N ATOM 928 CA LYS A 61 9.663 4.827 -3.003 1.00 0.00 C ATOM 929 C LYS A 61 8.273 4.301 -3.364 1.00 0.00 C ATOM 930 O LYS A 61 7.968 4.095 -4.538 1.00 0.00 O ATOM 931 CB LYS A 61 10.784 3.811 -3.232 1.00 0.00 C ATOM 932 CG LYS A 61 10.268 2.380 -3.072 1.00 0.00 C ATOM 933 CD LYS A 61 11.392 1.364 -3.284 1.00 0.00 C ATOM 934 CE LYS A 61 11.490 0.953 -4.754 1.00 0.00 C ATOM 935 NZ LYS A 61 12.632 1.631 -5.407 1.00 0.00 N ATOM 0 H LYS A 61 10.160 4.671 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 61 9.874 5.658 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.200 3.942 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.593 3.991 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.841 2.253 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.467 2.196 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.340 1.792 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.212 0.483 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.610 -0.128 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.565 1.207 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.514 1.594 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.669 2.624 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.517 1.153 -5.142 1.00 0.00 H new ATOM 948 N ILE A 62 7.466 4.098 -2.333 1.00 0.00 N ATOM 949 CA ILE A 62 6.115 3.600 -2.527 1.00 0.00 C ATOM 950 C ILE A 62 5.127 4.763 -2.421 1.00 0.00 C ATOM 951 O ILE A 62 3.943 4.555 -2.160 1.00 0.00 O ATOM 952 CB ILE A 62 5.821 2.454 -1.555 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.435 2.991 -0.175 1.00 0.00 C ATOM 954 CG2 ILE A 62 7.000 1.482 -1.483 1.00 0.00 C ATOM 955 CD1 ILE A 62 5.047 1.850 0.767 1.00 0.00 C ATOM 0 H ILE A 62 7.722 4.269 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 62 6.005 3.177 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 62 4.965 1.895 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.270 3.549 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.602 3.687 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.766 0.677 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.187 1.063 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.888 2.012 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.777 2.258 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.197 1.309 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.890 1.169 0.880 1.00 0.00 H new ATOM 967 N THR A 63 5.649 5.963 -2.630 1.00 0.00 N ATOM 968 CA THR A 63 4.828 7.159 -2.562 1.00 0.00 C ATOM 969 C THR A 63 3.412 6.864 -3.060 1.00 0.00 C ATOM 970 O THR A 63 2.440 7.407 -2.538 1.00 0.00 O ATOM 971 CB THR A 63 5.533 8.262 -3.353 1.00 0.00 C ATOM 972 OG1 THR A 63 4.496 9.191 -3.655 1.00 0.00 O ATOM 973 CG2 THR A 63 6.015 7.783 -4.724 1.00 0.00 C ATOM 0 H THR A 63 6.631 6.132 -2.847 1.00 0.00 H new ATOM 0 HA THR A 63 4.712 7.500 -1.533 1.00 0.00 H new ATOM 0 HB THR A 63 6.382 8.633 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.867 9.940 -4.166 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.508 8.604 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.719 6.961 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.162 7.442 -5.311 1.00 0.00 H new ATOM 981 N THR A 64 3.341 6.003 -4.066 1.00 0.00 N ATOM 982 CA THR A 64 2.061 5.629 -4.641 1.00 0.00 C ATOM 983 C THR A 64 1.701 4.193 -4.252 1.00 0.00 C ATOM 984 O THR A 64 2.550 3.446 -3.768 1.00 0.00 O ATOM 985 CB THR A 64 2.140 5.847 -6.153 1.00 0.00 C ATOM 986 OG1 THR A 64 3.382 5.256 -6.525 1.00 0.00 O ATOM 987 CG2 THR A 64 2.304 7.323 -6.524 1.00 0.00 C ATOM 0 H THR A 64 4.150 5.554 -4.497 1.00 0.00 H new ATOM 0 HA THR A 64 1.255 6.250 -4.250 1.00 0.00 H new ATOM 0 HB THR A 64 1.240 5.452 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.513 5.351 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.355 7.422 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.452 7.890 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.222 7.710 -6.081 1.00 0.00 H new ATOM 995 N VAL A 65 0.441 3.851 -4.480 1.00 0.00 N ATOM 996 CA VAL A 65 -0.041 2.518 -4.160 1.00 0.00 C ATOM 997 C VAL A 65 0.587 1.508 -5.122 1.00 0.00 C ATOM 998 O VAL A 65 1.056 0.452 -4.700 1.00 0.00 O ATOM 999 CB VAL A 65 -1.571 2.496 -4.184 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.106 1.130 -3.748 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.150 3.614 -3.316 1.00 0.00 C ATOM 0 H VAL A 65 -0.260 4.473 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 65 0.259 2.235 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.892 2.670 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.196 1.141 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.735 0.361 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.769 0.914 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.239 3.575 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.815 3.486 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.809 4.579 -3.691 1.00 0.00 H new ATOM 1011 N GLN A 66 0.576 1.868 -6.397 1.00 0.00 N ATOM 1012 CA GLN A 66 1.139 1.006 -7.422 1.00 0.00 C ATOM 1013 C GLN A 66 2.409 0.326 -6.906 1.00 0.00 C ATOM 1014 O GLN A 66 2.522 -0.899 -6.947 1.00 0.00 O ATOM 1015 CB GLN A 66 1.421 1.791 -8.705 1.00 0.00 C ATOM 1016 CG GLN A 66 1.791 0.851 -9.853 1.00 0.00 C ATOM 1017 CD GLN A 66 0.993 -0.452 -9.774 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.216 -0.461 -9.614 1.00 0.00 O ATOM 1019 NE2 GLN A 66 1.736 -1.549 -9.895 1.00 0.00 N ATOM 0 H GLN A 66 0.186 2.745 -6.743 1.00 0.00 H new ATOM 0 HA GLN A 66 0.408 0.234 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.543 2.376 -8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.233 2.497 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.598 1.342 -10.807 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.858 0.631 -9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.744 -1.470 -10.027 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.297 -2.469 -9.856 1.00 0.00 H new ATOM 1028 N ALA A 67 3.332 1.149 -6.432 1.00 0.00 N ATOM 1029 CA ALA A 67 4.589 0.642 -5.908 1.00 0.00 C ATOM 1030 C ALA A 67 4.302 -0.421 -4.846 1.00 0.00 C ATOM 1031 O ALA A 67 4.840 -1.526 -4.908 1.00 0.00 O ATOM 1032 CB ALA A 67 5.419 1.804 -5.360 1.00 0.00 C ATOM 0 H ALA A 67 3.235 2.164 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 67 5.172 0.169 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.362 1.424 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.620 2.516 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.867 2.301 -4.562 1.00 0.00 H new ATOM 1038 N ALA A 68 3.455 -0.051 -3.897 1.00 0.00 N ATOM 1039 CA ALA A 68 3.090 -0.959 -2.823 1.00 0.00 C ATOM 1040 C ALA A 68 2.910 -2.368 -3.392 1.00 0.00 C ATOM 1041 O ALA A 68 3.134 -3.356 -2.695 1.00 0.00 O ATOM 1042 CB ALA A 68 1.828 -0.446 -2.127 1.00 0.00 C ATOM 0 H ALA A 68 3.011 0.866 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 68 3.880 -1.004 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.554 -1.127 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.017 0.545 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.012 -0.390 -2.848 1.00 0.00 H new ATOM 1048 N ILE A 69 2.508 -2.416 -4.654 1.00 0.00 N ATOM 1049 CA ILE A 69 2.296 -3.687 -5.324 1.00 0.00 C ATOM 1050 C ILE A 69 3.632 -4.205 -5.861 1.00 0.00 C ATOM 1051 O ILE A 69 4.146 -5.216 -5.385 1.00 0.00 O ATOM 1052 CB ILE A 69 1.213 -3.553 -6.396 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.079 -2.987 -5.803 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.979 -4.886 -7.110 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.950 -2.354 -6.890 1.00 0.00 C ATOM 0 H ILE A 69 2.324 -1.594 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 69 1.925 -4.432 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 69 1.562 -2.843 -7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.634 -3.782 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.161 -2.242 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.204 -4.762 -7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.904 -5.211 -7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.662 -5.636 -6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.862 -1.960 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.401 -1.543 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.208 -3.108 -7.634 1.00 0.00 H new ATOM 1067 N ASP A 70 4.155 -3.489 -6.845 1.00 0.00 N ATOM 1068 CA ASP A 70 5.421 -3.863 -7.452 1.00 0.00 C ATOM 1069 C ASP A 70 6.436 -4.177 -6.351 1.00 0.00 C ATOM 1070 O ASP A 70 7.385 -4.928 -6.573 1.00 0.00 O ATOM 1071 CB ASP A 70 5.984 -2.722 -8.302 1.00 0.00 C ATOM 1072 CG ASP A 70 6.068 -3.014 -9.801 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.076 -3.545 -10.293 1.00 0.00 O ATOM 1074 OD2 ASP A 70 5.030 -2.668 -10.484 1.00 0.00 O ATOM 0 H ASP A 70 3.725 -2.651 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 70 5.247 -4.732 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.364 -1.838 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.982 -2.476 -7.938 1.00 0.00 H new ATOM 1080 N TYR A 71 6.202 -3.587 -5.188 1.00 0.00 N ATOM 1081 CA TYR A 71 7.084 -3.795 -4.052 1.00 0.00 C ATOM 1082 C TYR A 71 6.828 -5.156 -3.401 1.00 0.00 C ATOM 1083 O TYR A 71 7.768 -5.880 -3.078 1.00 0.00 O ATOM 1084 CB TYR A 71 6.745 -2.691 -3.049 1.00 0.00 C ATOM 1085 CG TYR A 71 7.108 -3.033 -1.602 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.417 -3.316 -1.267 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.127 -3.058 -0.632 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.758 -3.637 0.094 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.468 -3.379 0.730 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.767 -3.653 1.026 1.00 0.00 C ATOM 1091 OH TYR A 71 8.089 -3.957 2.311 1.00 0.00 O ATOM 0 H TYR A 71 5.414 -2.965 -5.008 1.00 0.00 H new ATOM 0 HA TYR A 71 8.128 -3.769 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.267 -1.779 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.677 -2.479 -3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.185 -3.297 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.103 -2.837 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.778 -3.860 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.710 -3.402 1.499 1.00 0.00 H new ATOM 0 HH TYR A 71 9.060 -3.895 2.428 1.00 0.00 H new ATOM 1101 N ILE A 72 5.551 -5.462 -3.228 1.00 0.00 N ATOM 1102 CA ILE A 72 5.160 -6.723 -2.621 1.00 0.00 C ATOM 1103 C ILE A 72 5.523 -7.872 -3.563 1.00 0.00 C ATOM 1104 O ILE A 72 5.748 -8.997 -3.118 1.00 0.00 O ATOM 1105 CB ILE A 72 3.681 -6.694 -2.229 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.425 -5.660 -1.130 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.191 -8.087 -1.831 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.711 -6.249 0.253 1.00 0.00 C ATOM 0 H ILE A 72 4.774 -4.859 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 72 5.709 -6.885 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 72 3.103 -6.387 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.055 -4.786 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.390 -5.321 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.137 -8.038 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.316 -8.770 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.770 -8.447 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.521 -5.494 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.063 -7.108 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.753 -6.565 0.306 1.00 0.00 H new ATOM 1120 N ASN A 73 5.570 -7.550 -4.847 1.00 0.00 N ATOM 1121 CA ASN A 73 5.903 -8.541 -5.856 1.00 0.00 C ATOM 1122 C ASN A 73 7.421 -8.724 -5.905 1.00 0.00 C ATOM 1123 O ASN A 73 7.910 -9.836 -6.098 1.00 0.00 O ATOM 1124 CB ASN A 73 5.436 -8.094 -7.243 1.00 0.00 C ATOM 1125 CG ASN A 73 4.069 -8.694 -7.581 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.933 -9.872 -7.867 1.00 0.00 O ATOM 1127 ND2 ASN A 73 3.068 -7.819 -7.533 1.00 0.00 N ATOM 0 H ASN A 73 5.383 -6.616 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 73 5.404 -9.473 -5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.378 -7.006 -7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.166 -8.399 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.116 -8.121 -7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.252 -6.847 -7.286 1.00 0.00 H new ATOM 1134 N GLY A 74 8.124 -7.615 -5.725 1.00 0.00 N ATOM 1135 CA GLY A 74 9.577 -7.639 -5.746 1.00 0.00 C ATOM 1136 C GLY A 74 10.124 -8.636 -4.722 1.00 0.00 C ATOM 1137 O GLY A 74 11.270 -9.071 -4.825 1.00 0.00 O ATOM 0 H GLY A 74 7.715 -6.695 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.925 -7.908 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.964 -6.643 -5.531 1.00 0.00 H new ATOM 1141 N HIS A 75 9.278 -8.969 -3.759 1.00 0.00 N ATOM 1142 CA HIS A 75 9.662 -9.907 -2.717 1.00 0.00 C ATOM 1143 C HIS A 75 9.206 -11.316 -3.102 1.00 0.00 C ATOM 1144 O HIS A 75 10.030 -12.214 -3.273 1.00 0.00 O ATOM 1145 CB HIS A 75 9.122 -9.460 -1.357 1.00 0.00 C ATOM 1146 CG HIS A 75 10.104 -9.623 -0.222 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.142 -8.736 0.004 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.196 -10.578 0.747 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.821 -9.149 1.064 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.234 -10.291 1.523 1.00 0.00 N ATOM 0 H HIS A 75 8.328 -8.606 -3.678 1.00 0.00 H new ATOM 0 HA HIS A 75 10.748 -9.927 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.827 -8.413 -1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.222 -10.031 -1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.536 -11.425 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.688 -8.666 1.490 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.542 -10.835 2.329 1.00 0.00 H new ATOM 1158 N GLN A 76 7.896 -11.466 -3.226 1.00 0.00 N ATOM 1159 CA GLN A 76 7.321 -12.751 -3.587 1.00 0.00 C ATOM 1160 C GLN A 76 6.992 -12.784 -5.081 1.00 0.00 C ATOM 1161 O GLN A 76 5.859 -12.515 -5.477 1.00 0.00 O ATOM 1162 CB GLN A 76 6.079 -13.052 -2.746 1.00 0.00 C ATOM 1163 CG GLN A 76 6.401 -14.051 -1.632 1.00 0.00 C ATOM 1164 CD GLN A 76 7.502 -13.515 -0.716 1.00 0.00 C ATOM 1165 OE1 GLN A 76 8.674 -13.821 -0.866 1.00 0.00 O ATOM 1166 NE2 GLN A 76 7.063 -12.700 0.239 1.00 0.00 N ATOM 0 H GLN A 76 7.216 -10.719 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 76 8.057 -13.528 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.697 -12.128 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.292 -13.454 -3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.503 -14.252 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.716 -14.999 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.068 -12.485 0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.721 -12.290 0.902 1.00 0.00 H new ATOM 1175 N ALA A 77 8.003 -13.116 -5.870 1.00 0.00 N ATOM 1176 CA ALA A 77 7.836 -13.188 -7.312 1.00 0.00 C ATOM 1177 C ALA A 77 8.453 -14.489 -7.828 1.00 0.00 C ATOM 1178 O ALA A 77 9.538 -14.879 -7.399 1.00 0.00 O ATOM 1179 CB ALA A 77 8.458 -11.949 -7.960 1.00 0.00 C ATOM 0 H ALA A 77 8.941 -13.338 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 77 6.779 -13.198 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.333 -12.003 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.964 -11.054 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.520 -11.907 -7.719 1.00 0.00 H new TER 1185 ALA A 77