USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0387 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.00756 (180deg=-0.101) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 61:sc= 1.19 USER MOD Single : A 16 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.089) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= -0.556 (180deg=-0.603) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -21:sc= -0.153 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-2.3) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 55 SER OG : rot -66:sc= 0.744 USER MOD Single : A 60 SER OG : rot 86:sc= -0.218 USER MOD Single : A 63 THR OG1 : rot -89:sc= 0.541 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0413 (180deg=-0.24) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 70 GLN : amide:sc= -1.04 K(o=-1,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.0564 (180deg=-0.329) USER MOD Single : A 73 ASN : amide:sc= -2.49 X(o=-2.5,f=-2.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 153:sc= -0.152 (180deg=-1.25) USER MOD Single : A 76 HIS : no HD1:sc=-0.00491 X(o=-0.0049,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0685 (180deg=-0.349) USER MOD Single : A 85 LYS NZ :NH3+ 136:sc= -1.51 (180deg=-4.54!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0402 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.359 -2.057 14.315 1.00 0.00 N ATOM 2 CA MET A 1 -7.720 -0.720 14.214 1.00 0.00 C ATOM 3 C MET A 1 -7.326 -0.411 12.774 1.00 0.00 C ATOM 4 O MET A 1 -7.062 -1.318 11.984 1.00 0.00 O ATOM 5 CB MET A 1 -6.484 -0.656 15.114 1.00 0.00 C ATOM 6 CG MET A 1 -6.791 -0.871 16.588 1.00 0.00 C ATOM 7 SD MET A 1 -5.356 -0.599 17.646 1.00 0.00 S ATOM 8 CE MET A 1 -4.255 -1.891 17.073 1.00 0.00 C ATOM 0 H1 MET A 1 -9.243 -1.979 14.857 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.568 -2.415 13.361 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.714 -2.715 14.798 1.00 0.00 H new ATOM 0 HA MET A 1 -8.444 0.026 14.542 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.768 -1.410 14.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.004 0.315 14.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.593 -0.197 16.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.157 -1.887 16.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.438 -2.015 17.784 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.806 -2.827 16.987 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.850 -1.618 16.099 1.00 0.00 H new ATOM 20 N GLU A 2 -7.288 0.875 12.442 1.00 0.00 N ATOM 21 CA GLU A 2 -6.923 1.308 11.097 1.00 0.00 C ATOM 22 C GLU A 2 -5.484 0.922 10.780 1.00 0.00 C ATOM 23 O GLU A 2 -5.142 0.649 9.629 1.00 0.00 O ATOM 24 CB GLU A 2 -7.101 2.821 10.959 1.00 0.00 C ATOM 25 CG GLU A 2 -6.278 3.624 11.952 1.00 0.00 C ATOM 26 CD GLU A 2 -6.543 5.113 11.859 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.856 5.789 11.065 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.438 5.602 12.578 1.00 0.00 O ATOM 0 H GLU A 2 -7.505 1.636 13.085 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.582 0.808 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.827 3.120 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.155 3.068 11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.500 3.282 12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.219 3.436 11.777 1.00 0.00 H new ATOM 35 N SER A 3 -4.644 0.901 11.810 1.00 0.00 N ATOM 36 CA SER A 3 -3.239 0.545 11.649 1.00 0.00 C ATOM 37 C SER A 3 -3.096 -0.860 11.071 1.00 0.00 C ATOM 38 O SER A 3 -2.193 -1.127 10.281 1.00 0.00 O ATOM 39 CB SER A 3 -2.514 0.633 12.992 1.00 0.00 C ATOM 40 OG SER A 3 -2.579 1.945 13.524 1.00 0.00 O ATOM 0 H SER A 3 -4.913 1.127 12.768 1.00 0.00 H new ATOM 0 HA SER A 3 -2.788 1.252 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.960 -0.070 13.696 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.472 0.340 12.866 1.00 0.00 H new ATOM 0 HG SER A 3 -2.109 1.973 14.384 1.00 0.00 H new ATOM 46 N GLU A 4 -3.997 -1.752 11.471 1.00 0.00 N ATOM 47 CA GLU A 4 -3.973 -3.133 10.998 1.00 0.00 C ATOM 48 C GLU A 4 -4.441 -3.225 9.547 1.00 0.00 C ATOM 49 O GLU A 4 -4.009 -4.103 8.800 1.00 0.00 O ATOM 50 CB GLU A 4 -4.859 -4.010 11.888 1.00 0.00 C ATOM 51 CG GLU A 4 -4.906 -5.468 11.456 1.00 0.00 C ATOM 52 CD GLU A 4 -3.555 -6.148 11.545 1.00 0.00 C ATOM 53 OE1 GLU A 4 -2.788 -6.079 10.561 1.00 0.00 O ATOM 54 OE2 GLU A 4 -3.262 -6.750 12.601 1.00 0.00 O ATOM 0 H GLU A 4 -4.754 -1.543 12.122 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.945 -3.490 11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.495 -3.956 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.872 -3.607 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.620 -6.005 12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.271 -5.527 10.431 1.00 0.00 H new ATOM 61 N TYR A 5 -5.325 -2.312 9.157 1.00 0.00 N ATOM 62 CA TYR A 5 -5.862 -2.294 7.801 1.00 0.00 C ATOM 63 C TYR A 5 -4.835 -1.783 6.794 1.00 0.00 C ATOM 64 O TYR A 5 -4.730 -2.310 5.687 1.00 0.00 O ATOM 65 CB TYR A 5 -7.124 -1.430 7.743 1.00 0.00 C ATOM 66 CG TYR A 5 -7.764 -1.385 6.374 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.304 -2.530 5.800 1.00 0.00 C ATOM 68 CD2 TYR A 5 -7.830 -0.198 5.654 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.888 -2.494 4.549 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.415 -0.154 4.404 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.941 -1.304 3.855 1.00 0.00 C ATOM 72 OH TYR A 5 -9.523 -1.264 2.610 1.00 0.00 O ATOM 0 H TYR A 5 -5.685 -1.574 9.762 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.112 -3.320 7.532 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.849 -1.812 8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.874 -0.415 8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.266 -3.464 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.417 0.705 6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.301 -3.393 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.460 0.777 3.859 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.479 -0.351 2.258 1.00 0.00 H new ATOM 82 N ARG A 6 -4.077 -0.762 7.180 1.00 0.00 N ATOM 83 CA ARG A 6 -3.072 -0.183 6.292 1.00 0.00 C ATOM 84 C ARG A 6 -1.779 -0.994 6.300 1.00 0.00 C ATOM 85 O ARG A 6 -1.108 -1.112 5.276 1.00 0.00 O ATOM 86 CB ARG A 6 -2.782 1.266 6.688 1.00 0.00 C ATOM 87 CG ARG A 6 -2.265 1.428 8.107 1.00 0.00 C ATOM 88 CD ARG A 6 -2.035 2.894 8.443 1.00 0.00 C ATOM 89 NE ARG A 6 -1.551 3.079 9.810 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.586 4.244 10.452 1.00 0.00 C ATOM 91 NH1 ARG A 6 -2.087 5.320 9.857 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.121 4.335 11.690 1.00 0.00 N ATOM 0 H ARG A 6 -4.138 -0.319 8.097 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.477 -0.206 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.049 1.681 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.694 1.852 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.980 0.999 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.333 0.875 8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.313 3.316 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.966 3.445 8.312 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.165 2.271 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.447 5.255 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.112 6.211 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.736 3.511 12.152 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.149 5.229 12.181 1.00 0.00 H new ATOM 106 N GLU A 7 -1.435 -1.554 7.453 1.00 0.00 N ATOM 107 CA GLU A 7 -0.216 -2.345 7.585 1.00 0.00 C ATOM 108 C GLU A 7 -0.318 -3.656 6.808 1.00 0.00 C ATOM 109 O GLU A 7 0.606 -4.034 6.087 1.00 0.00 O ATOM 110 CB GLU A 7 0.066 -2.638 9.059 1.00 0.00 C ATOM 111 CG GLU A 7 1.356 -3.407 9.291 1.00 0.00 C ATOM 112 CD GLU A 7 1.619 -3.671 10.761 1.00 0.00 C ATOM 113 OE1 GLU A 7 2.258 -2.818 11.413 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.186 -4.731 11.260 1.00 0.00 O ATOM 0 H GLU A 7 -1.982 -1.476 8.310 1.00 0.00 H new ATOM 0 HA GLU A 7 0.606 -1.763 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.111 -1.696 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.766 -3.207 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.310 -4.356 8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.190 -2.845 8.871 1.00 0.00 H new ATOM 121 N MET A 8 -1.444 -4.344 6.960 1.00 0.00 N ATOM 122 CA MET A 8 -1.660 -5.621 6.286 1.00 0.00 C ATOM 123 C MET A 8 -1.846 -5.435 4.783 1.00 0.00 C ATOM 124 O MET A 8 -1.242 -6.147 3.983 1.00 0.00 O ATOM 125 CB MET A 8 -2.883 -6.326 6.879 1.00 0.00 C ATOM 126 CG MET A 8 -3.077 -7.747 6.372 1.00 0.00 C ATOM 127 SD MET A 8 -1.757 -8.857 6.901 1.00 0.00 S ATOM 128 CE MET A 8 -2.290 -10.397 6.158 1.00 0.00 C ATOM 0 H MET A 8 -2.223 -4.039 7.544 1.00 0.00 H new ATOM 0 HA MET A 8 -0.774 -6.236 6.442 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.788 -6.347 7.965 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.775 -5.743 6.648 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.033 -8.129 6.729 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.124 -7.737 5.283 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.573 -11.183 6.396 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.271 -10.669 6.549 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.351 -10.277 5.076 1.00 0.00 H new ATOM 138 N LEU A 9 -2.680 -4.470 4.408 1.00 0.00 N ATOM 139 CA LEU A 9 -2.960 -4.197 3.000 1.00 0.00 C ATOM 140 C LEU A 9 -1.683 -3.908 2.216 1.00 0.00 C ATOM 141 O LEU A 9 -1.588 -4.228 1.030 1.00 0.00 O ATOM 142 CB LEU A 9 -3.926 -3.016 2.878 1.00 0.00 C ATOM 143 CG LEU A 9 -4.361 -2.673 1.452 1.00 0.00 C ATOM 144 CD1 LEU A 9 -5.827 -2.268 1.428 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.492 -1.563 0.882 1.00 0.00 C ATOM 0 H LEU A 9 -3.175 -3.862 5.060 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.418 -5.089 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.815 -3.233 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.456 -2.137 3.319 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.237 -3.560 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.121 -2.027 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.438 -3.092 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.974 -1.395 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.816 -1.332 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.585 -0.673 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.452 -1.887 0.866 1.00 0.00 H new ATOM 157 N LEU A 10 -0.704 -3.306 2.880 1.00 0.00 N ATOM 158 CA LEU A 10 0.559 -2.962 2.234 1.00 0.00 C ATOM 159 C LEU A 10 1.508 -4.156 2.157 1.00 0.00 C ATOM 160 O LEU A 10 1.927 -4.553 1.072 1.00 0.00 O ATOM 161 CB LEU A 10 1.238 -1.815 2.984 1.00 0.00 C ATOM 162 CG LEU A 10 0.550 -0.456 2.858 1.00 0.00 C ATOM 163 CD1 LEU A 10 1.195 0.556 3.791 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.600 0.037 1.419 1.00 0.00 C ATOM 0 H LEU A 10 -0.759 -3.046 3.865 1.00 0.00 H new ATOM 0 HA LEU A 10 0.328 -2.653 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.297 -2.078 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.262 -1.721 2.621 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.495 -0.572 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.693 1.518 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.107 0.209 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.248 0.668 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.105 1.006 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.639 0.136 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.092 -0.678 0.772 1.00 0.00 H new ATOM 176 N LEU A 11 1.840 -4.724 3.313 1.00 0.00 N ATOM 177 CA LEU A 11 2.761 -5.857 3.375 1.00 0.00 C ATOM 178 C LEU A 11 2.289 -7.026 2.510 1.00 0.00 C ATOM 179 O LEU A 11 3.097 -7.856 2.088 1.00 0.00 O ATOM 180 CB LEU A 11 2.969 -6.291 4.835 1.00 0.00 C ATOM 181 CG LEU A 11 2.542 -7.721 5.187 1.00 0.00 C ATOM 182 CD1 LEU A 11 3.222 -8.175 6.470 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.031 -7.813 5.329 1.00 0.00 C ATOM 0 H LEU A 11 1.486 -4.419 4.220 1.00 0.00 H new ATOM 0 HA LEU A 11 3.719 -5.533 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.026 -6.180 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.421 -5.602 5.478 1.00 0.00 H new ATOM 0 HG LEU A 11 2.850 -8.380 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.909 -9.192 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.304 -8.150 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.941 -7.509 7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.751 -8.836 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.698 -7.142 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.559 -7.527 4.389 1.00 0.00 H new ATOM 195 N THR A 12 0.987 -7.094 2.246 1.00 0.00 N ATOM 196 CA THR A 12 0.438 -8.167 1.425 1.00 0.00 C ATOM 197 C THR A 12 1.041 -8.138 0.023 1.00 0.00 C ATOM 198 O THR A 12 1.127 -9.165 -0.650 1.00 0.00 O ATOM 199 CB THR A 12 -1.099 -8.072 1.320 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.689 -8.242 2.613 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.651 -9.126 0.369 1.00 0.00 C ATOM 0 H THR A 12 0.297 -6.424 2.586 1.00 0.00 H new ATOM 0 HA THR A 12 0.696 -9.107 1.913 1.00 0.00 H new ATOM 0 HB THR A 12 -1.349 -7.086 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.380 -7.529 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.736 -9.035 0.315 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.225 -8.980 -0.623 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.388 -10.119 0.734 1.00 0.00 H new ATOM 209 N GLY A 13 1.464 -6.955 -0.407 1.00 0.00 N ATOM 210 CA GLY A 13 2.054 -6.812 -1.725 1.00 0.00 C ATOM 211 C GLY A 13 3.564 -6.677 -1.680 1.00 0.00 C ATOM 212 O GLY A 13 4.267 -7.281 -2.488 1.00 0.00 O ATOM 0 H GLY A 13 1.409 -6.092 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.789 -7.677 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.630 -5.936 -2.215 1.00 0.00 H new ATOM 216 N LEU A 14 4.066 -5.889 -0.732 1.00 0.00 N ATOM 217 CA LEU A 14 5.506 -5.678 -0.594 1.00 0.00 C ATOM 218 C LEU A 14 6.252 -7.002 -0.436 1.00 0.00 C ATOM 219 O LEU A 14 7.289 -7.216 -1.061 1.00 0.00 O ATOM 220 CB LEU A 14 5.808 -4.773 0.608 1.00 0.00 C ATOM 221 CG LEU A 14 5.688 -3.263 0.362 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.572 -2.831 -0.797 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.241 -2.871 0.104 1.00 0.00 C ATOM 0 H LEU A 14 3.499 -5.387 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 14 5.852 -5.193 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.132 -5.043 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.820 -4.985 0.952 1.00 0.00 H new ATOM 0 HG LEU A 14 6.028 -2.748 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.470 -1.757 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.611 -3.067 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.269 -3.358 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.180 -1.796 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.872 -3.400 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.633 -3.135 0.969 1.00 0.00 H new ATOM 235 N ASP A 15 5.720 -7.886 0.404 1.00 0.00 N ATOM 236 CA ASP A 15 6.349 -9.182 0.647 1.00 0.00 C ATOM 237 C ASP A 15 6.012 -10.184 -0.454 1.00 0.00 C ATOM 238 O ASP A 15 6.506 -11.312 -0.448 1.00 0.00 O ATOM 239 CB ASP A 15 5.914 -9.734 2.007 1.00 0.00 C ATOM 240 CG ASP A 15 6.706 -10.961 2.415 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.799 -10.796 2.997 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.232 -12.087 2.155 1.00 0.00 O ATOM 0 H ASP A 15 4.858 -7.730 0.926 1.00 0.00 H new ATOM 0 HA ASP A 15 7.429 -9.032 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.033 -8.960 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.854 -9.985 1.972 1.00 0.00 H new ATOM 247 N HIS A 16 5.174 -9.769 -1.399 1.00 0.00 N ATOM 248 CA HIS A 16 4.775 -10.642 -2.500 1.00 0.00 C ATOM 249 C HIS A 16 5.300 -10.127 -3.836 1.00 0.00 C ATOM 250 O HIS A 16 4.797 -10.505 -4.895 1.00 0.00 O ATOM 251 CB HIS A 16 3.252 -10.764 -2.552 1.00 0.00 C ATOM 252 CG HIS A 16 2.682 -11.616 -1.460 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.722 -12.582 -1.662 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.955 -11.633 -0.130 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.446 -13.142 -0.476 1.00 0.00 C ATOM 256 NE2 HIS A 16 2.168 -12.602 0.486 1.00 0.00 N ATOM 0 H HIS A 16 4.759 -8.838 -1.426 1.00 0.00 H new ATOM 0 HA HIS A 16 5.210 -11.625 -2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.814 -9.768 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.962 -11.181 -3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.669 -10.996 0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.726 -13.933 -0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.153 -12.844 1.477 1.00 0.00 H new ATOM 264 N ILE A 17 6.314 -9.269 -3.785 1.00 0.00 N ATOM 265 CA ILE A 17 6.899 -8.712 -5.000 1.00 0.00 C ATOM 266 C ILE A 17 8.423 -8.779 -4.964 1.00 0.00 C ATOM 267 O ILE A 17 9.011 -9.215 -3.973 1.00 0.00 O ATOM 268 CB ILE A 17 6.453 -7.254 -5.221 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.836 -6.389 -4.017 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.952 -7.196 -5.471 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.463 -4.930 -4.172 1.00 0.00 C ATOM 0 H ILE A 17 6.746 -8.945 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 17 6.540 -9.319 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 17 6.965 -6.860 -6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.350 -6.786 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.911 -6.465 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.649 -6.161 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.708 -7.782 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.424 -7.604 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.765 -4.380 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.970 -4.515 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.385 -4.842 -4.304 1.00 0.00 H new ATOM 283 N THR A 18 9.055 -8.343 -6.050 1.00 0.00 N ATOM 284 CA THR A 18 10.510 -8.363 -6.151 1.00 0.00 C ATOM 285 C THR A 18 11.114 -7.018 -5.756 1.00 0.00 C ATOM 286 O THR A 18 10.395 -6.043 -5.542 1.00 0.00 O ATOM 287 CB THR A 18 10.963 -8.729 -7.578 1.00 0.00 C ATOM 288 OG1 THR A 18 12.390 -8.647 -7.681 1.00 0.00 O ATOM 289 CG2 THR A 18 10.321 -7.806 -8.601 1.00 0.00 C ATOM 0 H THR A 18 8.581 -7.971 -6.873 1.00 0.00 H new ATOM 0 HA THR A 18 10.867 -9.125 -5.458 1.00 0.00 H new ATOM 0 HB THR A 18 10.646 -9.752 -7.783 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.666 -8.883 -8.591 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.655 -8.083 -9.601 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.236 -7.897 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.611 -6.776 -8.394 1.00 0.00 H new ATOM 297 N GLU A 19 12.441 -6.977 -5.665 1.00 0.00 N ATOM 298 CA GLU A 19 13.155 -5.762 -5.285 1.00 0.00 C ATOM 299 C GLU A 19 13.054 -4.685 -6.364 1.00 0.00 C ATOM 300 O GLU A 19 12.760 -3.527 -6.068 1.00 0.00 O ATOM 301 CB GLU A 19 14.627 -6.080 -5.017 1.00 0.00 C ATOM 302 CG GLU A 19 14.836 -7.147 -3.955 1.00 0.00 C ATOM 303 CD GLU A 19 16.290 -7.558 -3.825 1.00 0.00 C ATOM 304 OE1 GLU A 19 17.014 -6.937 -3.019 1.00 0.00 O ATOM 305 OE2 GLU A 19 16.705 -8.503 -4.530 1.00 0.00 O ATOM 0 H GLU A 19 13.046 -7.777 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 19 12.688 -5.378 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.094 -6.407 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.137 -5.167 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.480 -6.774 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.235 -8.022 -4.200 1.00 0.00 H new ATOM 312 N GLU A 20 13.298 -5.071 -7.614 1.00 0.00 N ATOM 313 CA GLU A 20 13.249 -4.129 -8.730 1.00 0.00 C ATOM 314 C GLU A 20 11.897 -3.424 -8.807 1.00 0.00 C ATOM 315 O GLU A 20 11.815 -2.269 -9.227 1.00 0.00 O ATOM 316 CB GLU A 20 13.538 -4.849 -10.050 1.00 0.00 C ATOM 317 CG GLU A 20 12.508 -5.907 -10.406 1.00 0.00 C ATOM 318 CD GLU A 20 12.757 -6.530 -11.766 1.00 0.00 C ATOM 319 OE1 GLU A 20 12.232 -5.999 -12.768 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.476 -7.549 -11.829 1.00 0.00 O ATOM 0 H GLU A 20 13.531 -6.028 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 20 14.016 -3.374 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.583 -4.113 -10.853 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.521 -5.317 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.517 -6.688 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.514 -5.460 -10.392 1.00 0.00 H new ATOM 327 N GLU A 21 10.841 -4.121 -8.401 1.00 0.00 N ATOM 328 CA GLU A 21 9.495 -3.554 -8.428 1.00 0.00 C ATOM 329 C GLU A 21 9.300 -2.539 -7.307 1.00 0.00 C ATOM 330 O GLU A 21 8.506 -1.608 -7.434 1.00 0.00 O ATOM 331 CB GLU A 21 8.448 -4.664 -8.315 1.00 0.00 C ATOM 332 CG GLU A 21 7.770 -4.999 -9.636 1.00 0.00 C ATOM 333 CD GLU A 21 8.745 -5.481 -10.693 1.00 0.00 C ATOM 334 OE1 GLU A 21 9.468 -4.637 -11.264 1.00 0.00 O ATOM 335 OE2 GLU A 21 8.783 -6.702 -10.953 1.00 0.00 O ATOM 0 H GLU A 21 10.889 -5.077 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 21 9.369 -3.039 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.924 -5.563 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.689 -4.364 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.016 -5.767 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.248 -4.116 -10.005 1.00 0.00 H new ATOM 342 N LEU A 22 10.026 -2.725 -6.209 1.00 0.00 N ATOM 343 CA LEU A 22 9.929 -1.824 -5.063 1.00 0.00 C ATOM 344 C LEU A 22 10.200 -0.377 -5.467 1.00 0.00 C ATOM 345 O LEU A 22 9.436 0.524 -5.127 1.00 0.00 O ATOM 346 CB LEU A 22 10.909 -2.246 -3.964 1.00 0.00 C ATOM 347 CG LEU A 22 10.650 -3.623 -3.348 1.00 0.00 C ATOM 348 CD1 LEU A 22 11.743 -3.976 -2.352 1.00 0.00 C ATOM 349 CD2 LEU A 22 9.288 -3.661 -2.675 1.00 0.00 C ATOM 0 H LEU A 22 10.688 -3.491 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 22 8.910 -1.888 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.918 -2.235 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.881 -1.500 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 22 10.659 -4.363 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.542 -4.958 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.707 -3.992 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.765 -3.231 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.123 -4.648 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.251 -2.909 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.512 -3.453 -3.412 1.00 0.00 H new ATOM 361 N LYS A 23 11.292 -0.161 -6.194 1.00 0.00 N ATOM 362 CA LYS A 23 11.667 1.181 -6.632 1.00 0.00 C ATOM 363 C LYS A 23 10.684 1.739 -7.659 1.00 0.00 C ATOM 364 O LYS A 23 10.490 2.951 -7.742 1.00 0.00 O ATOM 365 CB LYS A 23 13.079 1.174 -7.218 1.00 0.00 C ATOM 366 CG LYS A 23 14.157 0.817 -6.207 1.00 0.00 C ATOM 367 CD LYS A 23 15.549 0.916 -6.813 1.00 0.00 C ATOM 368 CE LYS A 23 15.788 -0.160 -7.863 1.00 0.00 C ATOM 369 NZ LYS A 23 17.141 -0.046 -8.474 1.00 0.00 N ATOM 0 H LYS A 23 11.933 -0.896 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 23 11.640 1.828 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.117 0.463 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.295 2.158 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.086 1.484 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.991 -0.196 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.679 1.899 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.296 0.826 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.677 -1.144 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.030 -0.082 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.266 -0.796 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.238 0.883 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.865 -0.146 -7.734 1.00 0.00 H new ATOM 383 N ARG A 24 10.066 0.856 -8.437 1.00 0.00 N ATOM 384 CA ARG A 24 9.117 1.279 -9.464 1.00 0.00 C ATOM 385 C ARG A 24 7.820 1.809 -8.856 1.00 0.00 C ATOM 386 O ARG A 24 7.375 2.907 -9.189 1.00 0.00 O ATOM 387 CB ARG A 24 8.812 0.117 -10.410 1.00 0.00 C ATOM 388 CG ARG A 24 10.005 -0.308 -11.251 1.00 0.00 C ATOM 389 CD ARG A 24 9.648 -1.450 -12.187 1.00 0.00 C ATOM 390 NE ARG A 24 10.771 -1.828 -13.040 1.00 0.00 N ATOM 391 CZ ARG A 24 10.669 -2.668 -14.065 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.501 -3.221 -14.361 1.00 0.00 N ATOM 393 NH2 ARG A 24 11.738 -2.956 -14.796 1.00 0.00 N ATOM 0 H ARG A 24 10.204 -0.153 -8.377 1.00 0.00 H new ATOM 0 HA ARG A 24 9.579 2.093 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.467 -0.736 -9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.994 0.402 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.363 0.542 -11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.822 -0.614 -10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.330 -2.313 -11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.802 -1.158 -12.809 1.00 0.00 H new ATOM 0 HE ARG A 24 11.686 -1.425 -12.838 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.677 -3.002 -13.801 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.427 -3.865 -15.148 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.638 -2.533 -14.571 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.659 -3.601 -15.583 1.00 0.00 H new ATOM 407 N PHE A 25 7.218 1.025 -7.968 1.00 0.00 N ATOM 408 CA PHE A 25 5.967 1.414 -7.325 1.00 0.00 C ATOM 409 C PHE A 25 6.108 2.746 -6.589 1.00 0.00 C ATOM 410 O PHE A 25 5.340 3.679 -6.825 1.00 0.00 O ATOM 411 CB PHE A 25 5.507 0.322 -6.354 1.00 0.00 C ATOM 412 CG PHE A 25 4.279 0.687 -5.566 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.149 1.179 -6.201 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.255 0.538 -4.189 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.021 1.515 -5.477 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.130 0.871 -3.460 1.00 0.00 C ATOM 417 CZ PHE A 25 2.012 1.361 -4.104 1.00 0.00 C ATOM 0 H PHE A 25 7.576 0.115 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 25 5.216 1.539 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.308 -0.591 -6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.319 0.100 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.150 1.301 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.127 0.157 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.147 1.898 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.125 0.748 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.132 1.624 -3.536 1.00 0.00 H new ATOM 427 N LYS A 26 7.093 2.826 -5.701 1.00 0.00 N ATOM 428 CA LYS A 26 7.327 4.040 -4.925 1.00 0.00 C ATOM 429 C LYS A 26 7.701 5.221 -5.820 1.00 0.00 C ATOM 430 O LYS A 26 7.505 6.376 -5.445 1.00 0.00 O ATOM 431 CB LYS A 26 8.426 3.805 -3.887 1.00 0.00 C ATOM 432 CG LYS A 26 7.901 3.352 -2.532 1.00 0.00 C ATOM 433 CD LYS A 26 8.351 1.939 -2.197 1.00 0.00 C ATOM 434 CE LYS A 26 7.480 0.897 -2.878 1.00 0.00 C ATOM 435 NZ LYS A 26 7.961 -0.487 -2.613 1.00 0.00 N ATOM 0 H LYS A 26 7.742 2.065 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 26 6.395 4.287 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.119 3.054 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.994 4.726 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.249 4.037 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.812 3.397 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.388 1.804 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.317 1.792 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.453 0.998 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.470 1.078 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.312 -1.170 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.913 -0.607 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.995 -0.652 -1.587 1.00 0.00 H new ATOM 449 N TYR A 27 8.240 4.933 -7.001 1.00 0.00 N ATOM 450 CA TYR A 27 8.642 5.986 -7.931 1.00 0.00 C ATOM 451 C TYR A 27 7.438 6.801 -8.397 1.00 0.00 C ATOM 452 O TYR A 27 7.498 8.029 -8.463 1.00 0.00 O ATOM 453 CB TYR A 27 9.364 5.384 -9.141 1.00 0.00 C ATOM 454 CG TYR A 27 9.900 6.415 -10.112 1.00 0.00 C ATOM 455 CD1 TYR A 27 9.097 6.933 -11.121 1.00 0.00 C ATOM 456 CD2 TYR A 27 11.209 6.870 -10.019 1.00 0.00 C ATOM 457 CE1 TYR A 27 9.584 7.872 -12.009 1.00 0.00 C ATOM 458 CE2 TYR A 27 11.704 7.809 -10.905 1.00 0.00 C ATOM 459 CZ TYR A 27 10.887 8.307 -11.897 1.00 0.00 C ATOM 460 OH TYR A 27 11.375 9.242 -12.780 1.00 0.00 O ATOM 0 H TYR A 27 8.408 3.985 -7.337 1.00 0.00 H new ATOM 0 HA TYR A 27 9.324 6.653 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.191 4.767 -8.788 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.677 4.724 -9.670 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.075 6.596 -11.212 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.851 6.484 -9.241 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.947 8.264 -12.788 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.725 8.150 -10.820 1.00 0.00 H new ATOM 0 HH TYR A 27 12.310 9.441 -12.562 1.00 0.00 H new ATOM 470 N PHE A 28 6.348 6.113 -8.719 1.00 0.00 N ATOM 471 CA PHE A 28 5.138 6.776 -9.190 1.00 0.00 C ATOM 472 C PHE A 28 4.375 7.442 -8.048 1.00 0.00 C ATOM 473 O PHE A 28 4.100 8.641 -8.096 1.00 0.00 O ATOM 474 CB PHE A 28 4.234 5.780 -9.915 1.00 0.00 C ATOM 475 CG PHE A 28 4.685 5.472 -11.316 1.00 0.00 C ATOM 476 CD1 PHE A 28 5.703 4.562 -11.547 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.089 6.097 -12.401 1.00 0.00 C ATOM 478 CE1 PHE A 28 6.121 4.280 -12.836 1.00 0.00 C ATOM 479 CE2 PHE A 28 4.503 5.819 -13.690 1.00 0.00 C ATOM 480 CZ PHE A 28 5.520 4.910 -13.908 1.00 0.00 C ATOM 0 H PHE A 28 6.278 5.097 -8.662 1.00 0.00 H new ATOM 0 HA PHE A 28 5.443 7.558 -9.886 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.194 4.853 -9.342 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.220 6.178 -9.947 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.176 4.067 -10.712 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.293 6.808 -12.237 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.916 3.568 -13.003 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.031 6.313 -14.527 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.845 4.692 -14.915 1.00 0.00 H new ATOM 490 N ALA A 29 4.035 6.667 -7.023 1.00 0.00 N ATOM 491 CA ALA A 29 3.294 7.204 -5.886 1.00 0.00 C ATOM 492 C ALA A 29 4.108 8.252 -5.138 1.00 0.00 C ATOM 493 O ALA A 29 3.643 9.371 -4.921 1.00 0.00 O ATOM 494 CB ALA A 29 2.891 6.083 -4.941 1.00 0.00 C ATOM 0 H ALA A 29 4.258 5.674 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 29 2.396 7.686 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.339 6.499 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.260 5.369 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.784 5.576 -4.576 1.00 0.00 H new ATOM 500 N LEU A 30 5.323 7.887 -4.746 1.00 0.00 N ATOM 501 CA LEU A 30 6.197 8.804 -4.026 1.00 0.00 C ATOM 502 C LEU A 30 7.206 9.456 -4.964 1.00 0.00 C ATOM 503 O LEU A 30 8.293 8.921 -5.187 1.00 0.00 O ATOM 504 CB LEU A 30 6.926 8.078 -2.893 1.00 0.00 C ATOM 505 CG LEU A 30 6.021 7.497 -1.804 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.419 6.175 -2.254 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.794 7.319 -0.507 1.00 0.00 C ATOM 0 H LEU A 30 5.724 6.964 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 30 5.572 9.588 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.517 7.269 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.626 8.773 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 30 5.207 8.199 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.779 5.779 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.828 6.333 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.218 5.464 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.135 6.905 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.630 6.639 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.173 8.285 -0.174 1.00 0.00 H new ATOM 519 N THR A 31 6.842 10.605 -5.522 1.00 0.00 N ATOM 520 CA THR A 31 7.729 11.323 -6.428 1.00 0.00 C ATOM 521 C THR A 31 8.592 12.332 -5.676 1.00 0.00 C ATOM 522 O THR A 31 9.812 12.360 -5.833 1.00 0.00 O ATOM 523 CB THR A 31 6.939 12.059 -7.524 1.00 0.00 C ATOM 524 OG1 THR A 31 6.047 13.009 -6.930 1.00 0.00 O ATOM 525 CG2 THR A 31 6.148 11.077 -8.374 1.00 0.00 C ATOM 0 H THR A 31 5.942 11.058 -5.363 1.00 0.00 H new ATOM 0 HA THR A 31 8.372 10.576 -6.893 1.00 0.00 H new ATOM 0 HB THR A 31 7.650 12.579 -8.166 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.549 13.475 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.598 11.621 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.832 10.373 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.446 10.532 -7.742 1.00 0.00 H new ATOM 533 N GLU A 32 7.945 13.158 -4.860 1.00 0.00 N ATOM 534 CA GLU A 32 8.647 14.174 -4.085 1.00 0.00 C ATOM 535 C GLU A 32 8.936 13.694 -2.665 1.00 0.00 C ATOM 536 O GLU A 32 9.657 14.353 -1.915 1.00 0.00 O ATOM 537 CB GLU A 32 7.827 15.464 -4.042 1.00 0.00 C ATOM 538 CG GLU A 32 6.425 15.278 -3.485 1.00 0.00 C ATOM 539 CD GLU A 32 5.625 16.566 -3.479 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.972 16.865 -4.501 1.00 0.00 O ATOM 541 OE2 GLU A 32 5.652 17.276 -2.451 1.00 0.00 O ATOM 0 H GLU A 32 6.935 13.143 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 32 9.601 14.367 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.355 16.200 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.757 15.873 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.899 14.530 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.490 14.890 -2.468 1.00 0.00 H new ATOM 548 N PHE A 33 8.375 12.544 -2.301 1.00 0.00 N ATOM 549 CA PHE A 33 8.569 11.993 -0.964 1.00 0.00 C ATOM 550 C PHE A 33 9.927 11.306 -0.833 1.00 0.00 C ATOM 551 O PHE A 33 10.456 11.173 0.271 1.00 0.00 O ATOM 552 CB PHE A 33 7.446 11.009 -0.629 1.00 0.00 C ATOM 553 CG PHE A 33 6.084 11.645 -0.583 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.676 12.354 0.534 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.215 11.535 -1.656 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.426 12.942 0.582 1.00 0.00 C ATOM 557 CE2 PHE A 33 3.964 12.119 -1.616 1.00 0.00 C ATOM 558 CZ PHE A 33 3.569 12.825 -0.495 1.00 0.00 C ATOM 0 H PHE A 33 7.785 11.978 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 33 8.543 12.821 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.440 10.210 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.655 10.546 0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.343 12.449 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.519 10.986 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.120 13.492 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.296 12.024 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.592 13.284 -0.461 1.00 0.00 H new ATOM 568 N GLN A 34 10.488 10.880 -1.964 1.00 0.00 N ATOM 569 CA GLN A 34 11.788 10.209 -1.980 1.00 0.00 C ATOM 570 C GLN A 34 11.898 9.165 -0.869 1.00 0.00 C ATOM 571 O GLN A 34 12.655 9.341 0.086 1.00 0.00 O ATOM 572 CB GLN A 34 12.921 11.230 -1.846 1.00 0.00 C ATOM 573 CG GLN A 34 13.046 12.164 -3.039 1.00 0.00 C ATOM 574 CD GLN A 34 14.296 13.022 -2.977 1.00 0.00 C ATOM 575 OE1 GLN A 34 15.351 12.636 -3.480 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.183 14.190 -2.356 1.00 0.00 N ATOM 0 H GLN A 34 10.061 10.988 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 34 11.877 9.696 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.759 11.824 -0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.863 10.699 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.058 11.576 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.168 12.809 -3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.288 14.469 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.991 14.808 -2.281 1.00 0.00 H new ATOM 585 N ILE A 35 11.129 8.086 -0.993 1.00 0.00 N ATOM 586 CA ILE A 35 11.141 7.016 0.000 1.00 0.00 C ATOM 587 C ILE A 35 12.556 6.474 0.208 1.00 0.00 C ATOM 588 O ILE A 35 13.420 6.621 -0.656 1.00 0.00 O ATOM 589 CB ILE A 35 10.208 5.860 -0.421 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.874 4.969 0.780 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.841 5.039 -1.538 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.942 5.621 1.784 1.00 0.00 C ATOM 0 H ILE A 35 10.489 7.930 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 35 10.782 7.441 0.938 1.00 0.00 H new ATOM 0 HB ILE A 35 9.279 6.290 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.418 4.046 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.800 4.692 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.168 4.229 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.022 5.679 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.786 4.621 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.751 4.930 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.404 6.529 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.000 5.873 1.296 1.00 0.00 H new ATOM 604 N ALA A 36 12.786 5.846 1.360 1.00 0.00 N ATOM 605 CA ALA A 36 14.095 5.281 1.676 1.00 0.00 C ATOM 606 C ALA A 36 14.237 3.870 1.109 1.00 0.00 C ATOM 607 O ALA A 36 13.474 2.969 1.458 1.00 0.00 O ATOM 608 CB ALA A 36 14.316 5.277 3.182 1.00 0.00 C ATOM 0 H ALA A 36 12.084 5.716 2.088 1.00 0.00 H new ATOM 0 HA ALA A 36 14.857 5.906 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.295 4.853 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.268 6.298 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.543 4.676 3.662 1.00 0.00 H new ATOM 614 N ARG A 37 15.219 3.687 0.230 1.00 0.00 N ATOM 615 CA ARG A 37 15.462 2.392 -0.400 1.00 0.00 C ATOM 616 C ARG A 37 15.943 1.347 0.607 1.00 0.00 C ATOM 617 O ARG A 37 15.624 0.164 0.483 1.00 0.00 O ATOM 618 CB ARG A 37 16.482 2.539 -1.529 1.00 0.00 C ATOM 619 CG ARG A 37 17.810 3.131 -1.083 1.00 0.00 C ATOM 620 CD ARG A 37 18.793 3.225 -2.239 1.00 0.00 C ATOM 621 NE ARG A 37 18.264 4.018 -3.346 1.00 0.00 N ATOM 622 CZ ARG A 37 18.876 4.150 -4.520 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.037 3.546 -4.739 1.00 0.00 N ATOM 624 NH2 ARG A 37 18.329 4.888 -5.476 1.00 0.00 N ATOM 0 H ARG A 37 15.862 4.423 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 37 14.513 2.044 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.662 1.560 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.057 3.170 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.645 4.123 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.236 2.516 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.724 3.670 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.032 2.222 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 37 17.374 4.498 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.463 2.978 -4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.504 3.649 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.438 5.356 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.800 4.988 -6.375 1.00 0.00 H new ATOM 638 N SER A 38 16.715 1.782 1.597 1.00 0.00 N ATOM 639 CA SER A 38 17.244 0.871 2.612 1.00 0.00 C ATOM 640 C SER A 38 16.138 0.342 3.521 1.00 0.00 C ATOM 641 O SER A 38 16.187 -0.802 3.970 1.00 0.00 O ATOM 642 CB SER A 38 18.313 1.575 3.452 1.00 0.00 C ATOM 643 OG SER A 38 19.391 2.013 2.644 1.00 0.00 O ATOM 0 H SER A 38 16.989 2.757 1.720 1.00 0.00 H new ATOM 0 HA SER A 38 17.691 0.023 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.871 2.428 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.683 0.895 4.219 1.00 0.00 H new ATOM 0 HG SER A 38 20.059 2.461 3.204 1.00 0.00 H new ATOM 649 N THR A 39 15.142 1.180 3.787 1.00 0.00 N ATOM 650 CA THR A 39 14.031 0.796 4.650 1.00 0.00 C ATOM 651 C THR A 39 13.089 -0.186 3.960 1.00 0.00 C ATOM 652 O THR A 39 12.295 -0.853 4.621 1.00 0.00 O ATOM 653 CB THR A 39 13.222 2.023 5.110 1.00 0.00 C ATOM 654 OG1 THR A 39 12.658 2.693 3.979 1.00 0.00 O ATOM 655 CG2 THR A 39 14.098 2.988 5.894 1.00 0.00 C ATOM 0 H THR A 39 15.081 2.129 3.418 1.00 0.00 H new ATOM 0 HA THR A 39 14.475 0.310 5.519 1.00 0.00 H new ATOM 0 HB THR A 39 12.420 1.676 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.158 2.450 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.504 3.846 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.499 2.483 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.920 3.327 5.264 1.00 0.00 H new ATOM 663 N LEU A 40 13.178 -0.262 2.629 1.00 0.00 N ATOM 664 CA LEU A 40 12.325 -1.155 1.837 1.00 0.00 C ATOM 665 C LEU A 40 12.163 -2.526 2.495 1.00 0.00 C ATOM 666 O LEU A 40 11.152 -3.200 2.295 1.00 0.00 O ATOM 667 CB LEU A 40 12.895 -1.323 0.427 1.00 0.00 C ATOM 668 CG LEU A 40 12.744 -0.104 -0.486 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.517 -0.308 -1.780 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.275 0.165 -0.782 1.00 0.00 C ATOM 0 H LEU A 40 13.835 0.287 2.075 1.00 0.00 H new ATOM 0 HA LEU A 40 11.339 -0.693 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.954 -1.568 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.406 -2.174 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 40 13.156 0.763 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.398 0.569 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.574 -0.452 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.134 -1.187 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.188 1.035 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.839 -0.703 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.745 0.355 0.151 1.00 0.00 H new ATOM 682 N ASP A 41 13.160 -2.933 3.272 1.00 0.00 N ATOM 683 CA ASP A 41 13.120 -4.221 3.957 1.00 0.00 C ATOM 684 C ASP A 41 11.871 -4.334 4.834 1.00 0.00 C ATOM 685 O ASP A 41 11.007 -5.177 4.592 1.00 0.00 O ATOM 686 CB ASP A 41 14.377 -4.406 4.807 1.00 0.00 C ATOM 687 CG ASP A 41 14.449 -5.782 5.439 1.00 0.00 C ATOM 688 OD1 ASP A 41 14.995 -6.704 4.796 1.00 0.00 O ATOM 689 OD2 ASP A 41 13.954 -5.940 6.575 1.00 0.00 O ATOM 0 H ASP A 41 14.006 -2.390 3.444 1.00 0.00 H new ATOM 0 HA ASP A 41 13.082 -5.007 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.259 -4.248 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.398 -3.648 5.590 1.00 0.00 H new ATOM 694 N VAL A 42 11.787 -3.482 5.853 1.00 0.00 N ATOM 695 CA VAL A 42 10.643 -3.480 6.765 1.00 0.00 C ATOM 696 C VAL A 42 9.662 -2.370 6.414 1.00 0.00 C ATOM 697 O VAL A 42 8.714 -2.107 7.155 1.00 0.00 O ATOM 698 CB VAL A 42 11.084 -3.282 8.223 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.840 -4.500 8.731 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.931 -2.027 8.349 1.00 0.00 C ATOM 0 H VAL A 42 12.498 -2.783 6.069 1.00 0.00 H new ATOM 0 HA VAL A 42 10.161 -4.452 6.657 1.00 0.00 H new ATOM 0 HB VAL A 42 10.194 -3.162 8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.142 -4.336 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.195 -5.377 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.725 -4.661 8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 42 12.237 -1.898 9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.815 -2.120 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.349 -1.162 8.032 1.00 0.00 H new ATOM 710 N ALA A 43 9.898 -1.724 5.283 1.00 0.00 N ATOM 711 CA ALA A 43 9.053 -0.629 4.834 1.00 0.00 C ATOM 712 C ALA A 43 7.595 -1.033 4.728 1.00 0.00 C ATOM 713 O ALA A 43 6.703 -0.216 4.911 1.00 0.00 O ATOM 714 CB ALA A 43 9.539 -0.088 3.502 1.00 0.00 C ATOM 0 H ALA A 43 10.673 -1.941 4.656 1.00 0.00 H new ATOM 0 HA ALA A 43 9.124 0.154 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.893 0.730 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.561 0.276 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.513 -0.882 2.755 1.00 0.00 H new ATOM 720 N ASP A 44 7.350 -2.294 4.458 1.00 0.00 N ATOM 721 CA ASP A 44 5.982 -2.753 4.285 1.00 0.00 C ATOM 722 C ASP A 44 5.115 -2.468 5.511 1.00 0.00 C ATOM 723 O ASP A 44 4.061 -1.846 5.388 1.00 0.00 O ATOM 724 CB ASP A 44 5.973 -4.252 3.988 1.00 0.00 C ATOM 725 CG ASP A 44 6.678 -5.061 5.060 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.913 -5.220 4.966 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.995 -5.534 5.992 1.00 0.00 O ATOM 0 H ASP A 44 8.064 -3.015 4.354 1.00 0.00 H new ATOM 0 HA ASP A 44 5.557 -2.201 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.942 -4.595 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.454 -4.431 3.027 1.00 0.00 H new ATOM 732 N ARG A 45 5.545 -2.913 6.689 1.00 0.00 N ATOM 733 CA ARG A 45 4.749 -2.694 7.894 1.00 0.00 C ATOM 734 C ARG A 45 4.897 -1.299 8.525 1.00 0.00 C ATOM 735 O ARG A 45 3.927 -0.548 8.619 1.00 0.00 O ATOM 736 CB ARG A 45 5.055 -3.778 8.935 1.00 0.00 C ATOM 737 CG ARG A 45 6.536 -3.966 9.228 1.00 0.00 C ATOM 738 CD ARG A 45 6.777 -5.196 10.091 1.00 0.00 C ATOM 739 NE ARG A 45 6.082 -5.110 11.374 1.00 0.00 N ATOM 740 CZ ARG A 45 6.038 -6.102 12.259 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.642 -7.254 12.002 1.00 0.00 N ATOM 742 NH2 ARG A 45 5.388 -5.942 13.403 1.00 0.00 N ATOM 0 H ARG A 45 6.420 -3.416 6.835 1.00 0.00 H new ATOM 0 HA ARG A 45 3.711 -2.756 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.542 -3.528 9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.642 -4.725 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.085 -4.063 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.924 -3.082 9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.442 -6.085 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.847 -5.313 10.265 1.00 0.00 H new ATOM 0 HE ARG A 45 5.603 -4.239 11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.143 -7.382 11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.606 -8.012 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.921 -5.058 13.605 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.355 -6.703 14.081 1.00 0.00 H new ATOM 756 N THR A 46 6.114 -0.964 8.954 1.00 0.00 N ATOM 757 CA THR A 46 6.375 0.301 9.654 1.00 0.00 C ATOM 758 C THR A 46 6.594 1.553 8.793 1.00 0.00 C ATOM 759 O THR A 46 5.886 2.548 8.951 1.00 0.00 O ATOM 760 CB THR A 46 7.583 0.156 10.600 1.00 0.00 C ATOM 761 OG1 THR A 46 7.943 1.436 11.132 1.00 0.00 O ATOM 762 CG2 THR A 46 8.775 -0.454 9.878 1.00 0.00 C ATOM 0 H THR A 46 6.939 -1.551 8.830 1.00 0.00 H new ATOM 0 HA THR A 46 5.438 0.476 10.184 1.00 0.00 H new ATOM 0 HB THR A 46 7.298 -0.510 11.414 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.710 1.336 11.733 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.612 -0.544 10.570 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.507 -1.441 9.502 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.061 0.186 9.043 1.00 0.00 H new ATOM 770 N GLU A 47 7.569 1.504 7.889 1.00 0.00 N ATOM 771 CA GLU A 47 7.949 2.685 7.105 1.00 0.00 C ATOM 772 C GLU A 47 6.911 3.166 6.090 1.00 0.00 C ATOM 773 O GLU A 47 6.439 4.297 6.187 1.00 0.00 O ATOM 774 CB GLU A 47 9.273 2.412 6.396 1.00 0.00 C ATOM 775 CG GLU A 47 10.374 3.388 6.778 1.00 0.00 C ATOM 776 CD GLU A 47 10.004 4.829 6.485 1.00 0.00 C ATOM 777 OE1 GLU A 47 10.165 5.259 5.323 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.554 5.528 7.417 1.00 0.00 O ATOM 0 H GLU A 47 8.110 0.665 7.679 1.00 0.00 H new ATOM 0 HA GLU A 47 8.034 3.498 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.599 1.398 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.116 2.457 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.595 3.282 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.285 3.133 6.236 1.00 0.00 H new ATOM 785 N LEU A 48 6.557 2.330 5.126 1.00 0.00 N ATOM 786 CA LEU A 48 5.590 2.727 4.100 1.00 0.00 C ATOM 787 C LEU A 48 4.274 3.182 4.711 1.00 0.00 C ATOM 788 O LEU A 48 3.710 4.193 4.298 1.00 0.00 O ATOM 789 CB LEU A 48 5.332 1.586 3.111 1.00 0.00 C ATOM 790 CG LEU A 48 6.455 1.321 2.107 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.126 0.108 1.250 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.693 2.543 1.231 1.00 0.00 C ATOM 0 H LEU A 48 6.917 1.381 5.028 1.00 0.00 H new ATOM 0 HA LEU A 48 6.029 3.568 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.150 0.672 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.418 1.806 2.559 1.00 0.00 H new ATOM 0 HG LEU A 48 7.370 1.115 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.935 -0.067 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.008 -0.767 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.199 0.288 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.496 2.333 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.781 2.782 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.973 3.390 1.857 1.00 0.00 H new ATOM 804 N ALA A 49 3.787 2.440 5.695 1.00 0.00 N ATOM 805 CA ALA A 49 2.519 2.774 6.338 1.00 0.00 C ATOM 806 C ALA A 49 2.511 4.204 6.878 1.00 0.00 C ATOM 807 O ALA A 49 1.654 5.006 6.518 1.00 0.00 O ATOM 808 CB ALA A 49 2.227 1.792 7.461 1.00 0.00 C ATOM 0 H ALA A 49 4.245 1.607 6.066 1.00 0.00 H new ATOM 0 HA ALA A 49 1.739 2.703 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.279 2.051 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.166 0.782 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.026 1.838 8.201 1.00 0.00 H new ATOM 814 N ASP A 50 3.474 4.518 7.731 1.00 0.00 N ATOM 815 CA ASP A 50 3.569 5.848 8.330 1.00 0.00 C ATOM 816 C ASP A 50 3.947 6.920 7.306 1.00 0.00 C ATOM 817 O ASP A 50 3.506 8.065 7.402 1.00 0.00 O ATOM 818 CB ASP A 50 4.590 5.834 9.468 1.00 0.00 C ATOM 819 CG ASP A 50 4.712 7.182 10.153 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.960 7.429 11.120 1.00 0.00 O ATOM 821 OD2 ASP A 50 5.562 7.991 9.724 1.00 0.00 O ATOM 0 H ASP A 50 4.204 3.871 8.027 1.00 0.00 H new ATOM 0 HA ASP A 50 2.583 6.101 8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.301 5.082 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.563 5.540 9.075 1.00 0.00 H new ATOM 826 N HIS A 51 4.764 6.540 6.331 1.00 0.00 N ATOM 827 CA HIS A 51 5.249 7.474 5.317 1.00 0.00 C ATOM 828 C HIS A 51 4.172 7.903 4.315 1.00 0.00 C ATOM 829 O HIS A 51 3.910 9.093 4.158 1.00 0.00 O ATOM 830 CB HIS A 51 6.429 6.853 4.569 1.00 0.00 C ATOM 831 CG HIS A 51 7.346 7.862 3.952 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.338 8.191 2.616 1.00 0.00 N ATOM 833 CD2 HIS A 51 8.321 8.618 4.519 1.00 0.00 C ATOM 834 CE1 HIS A 51 8.287 9.116 2.416 1.00 0.00 C ATOM 835 NE2 HIS A 51 8.912 9.410 3.540 1.00 0.00 N ATOM 0 H HIS A 51 5.107 5.586 6.219 1.00 0.00 H new ATOM 0 HA HIS A 51 5.559 8.375 5.846 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.999 6.231 5.259 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.048 6.196 3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.594 8.606 5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.511 9.563 1.459 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.671 10.079 3.665 1.00 0.00 H new ATOM 843 N LEU A 52 3.562 6.942 3.628 1.00 0.00 N ATOM 844 CA LEU A 52 2.551 7.257 2.618 1.00 0.00 C ATOM 845 C LEU A 52 1.252 7.801 3.218 1.00 0.00 C ATOM 846 O LEU A 52 0.583 8.627 2.601 1.00 0.00 O ATOM 847 CB LEU A 52 2.259 6.030 1.743 1.00 0.00 C ATOM 848 CG LEU A 52 1.526 4.876 2.431 1.00 0.00 C ATOM 849 CD1 LEU A 52 0.021 5.022 2.274 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.993 3.543 1.864 1.00 0.00 C ATOM 0 H LEU A 52 3.746 5.946 3.749 1.00 0.00 H new ATOM 0 HA LEU A 52 2.970 8.052 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.666 6.352 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.204 5.653 1.353 1.00 0.00 H new ATOM 0 HG LEU A 52 1.761 4.906 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.479 4.191 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.302 5.961 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.236 5.019 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.464 2.730 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.785 3.510 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.065 3.433 2.029 1.00 0.00 H new ATOM 862 N ILE A 53 0.889 7.343 4.413 1.00 0.00 N ATOM 863 CA ILE A 53 -0.352 7.787 5.052 1.00 0.00 C ATOM 864 C ILE A 53 -0.339 9.281 5.387 1.00 0.00 C ATOM 865 O ILE A 53 -1.294 9.994 5.080 1.00 0.00 O ATOM 866 CB ILE A 53 -0.658 6.981 6.339 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.132 5.558 6.004 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.698 7.692 7.194 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.192 5.489 4.925 1.00 0.00 C ATOM 0 H ILE A 53 1.429 6.670 4.957 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.138 7.605 4.319 1.00 0.00 H new ATOM 0 HB ILE A 53 0.269 6.909 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.272 4.966 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.523 5.096 6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.894 7.105 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.324 8.676 7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.621 7.805 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.468 4.449 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.071 6.050 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.801 5.919 4.003 1.00 0.00 H new ATOM 881 N GLN A 54 0.734 9.750 6.014 1.00 0.00 N ATOM 882 CA GLN A 54 0.838 11.159 6.404 1.00 0.00 C ATOM 883 C GLN A 54 0.583 12.100 5.226 1.00 0.00 C ATOM 884 O GLN A 54 0.149 13.236 5.415 1.00 0.00 O ATOM 885 CB GLN A 54 2.214 11.451 7.008 1.00 0.00 C ATOM 886 CG GLN A 54 3.334 11.516 5.983 1.00 0.00 C ATOM 887 CD GLN A 54 4.679 11.837 6.605 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.758 12.525 7.622 1.00 0.00 O ATOM 889 NE2 GLN A 54 5.747 11.338 5.993 1.00 0.00 N ATOM 0 H GLN A 54 1.543 9.181 6.264 1.00 0.00 H new ATOM 0 HA GLN A 54 0.067 11.340 7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.171 12.398 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.450 10.679 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.399 10.562 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.094 12.273 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.635 10.772 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.679 11.520 6.364 1.00 0.00 H new ATOM 898 N SER A 55 0.854 11.623 4.015 1.00 0.00 N ATOM 899 CA SER A 55 0.676 12.432 2.812 1.00 0.00 C ATOM 900 C SER A 55 -0.752 12.967 2.683 1.00 0.00 C ATOM 901 O SER A 55 -0.957 14.178 2.591 1.00 0.00 O ATOM 902 CB SER A 55 1.042 11.621 1.569 1.00 0.00 C ATOM 903 OG SER A 55 0.015 10.705 1.233 1.00 0.00 O ATOM 0 H SER A 55 1.198 10.679 3.840 1.00 0.00 H new ATOM 0 HA SER A 55 1.343 13.290 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.220 12.295 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.972 11.080 1.745 1.00 0.00 H new ATOM 0 HG SER A 55 -0.065 10.030 1.939 1.00 0.00 H new ATOM 909 N ALA A 56 -1.734 12.070 2.672 1.00 0.00 N ATOM 910 CA ALA A 56 -3.131 12.476 2.536 1.00 0.00 C ATOM 911 C ALA A 56 -3.985 11.986 3.701 1.00 0.00 C ATOM 912 O ALA A 56 -4.911 12.673 4.133 1.00 0.00 O ATOM 913 CB ALA A 56 -3.698 11.965 1.219 1.00 0.00 C ATOM 0 H ALA A 56 -1.591 11.064 2.755 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.159 13.566 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.740 12.273 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.123 12.379 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.638 10.877 1.195 1.00 0.00 H new ATOM 919 N GLY A 57 -3.671 10.800 4.210 1.00 0.00 N ATOM 920 CA GLY A 57 -4.429 10.249 5.320 1.00 0.00 C ATOM 921 C GLY A 57 -4.418 8.734 5.339 1.00 0.00 C ATOM 922 O GLY A 57 -3.907 8.099 4.417 1.00 0.00 O ATOM 0 H GLY A 57 -2.908 10.211 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.017 10.623 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.459 10.600 5.261 1.00 0.00 H new ATOM 926 N ALA A 58 -4.985 8.154 6.394 1.00 0.00 N ATOM 927 CA ALA A 58 -5.033 6.705 6.540 1.00 0.00 C ATOM 928 C ALA A 58 -5.925 6.054 5.485 1.00 0.00 C ATOM 929 O ALA A 58 -5.438 5.373 4.584 1.00 0.00 O ATOM 930 CB ALA A 58 -5.509 6.333 7.935 1.00 0.00 C ATOM 0 H ALA A 58 -5.418 8.668 7.161 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.022 6.326 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.541 5.248 8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.822 6.743 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.506 6.741 8.100 1.00 0.00 H new ATOM 936 N ALA A 59 -7.230 6.275 5.595 1.00 0.00 N ATOM 937 CA ALA A 59 -8.188 5.690 4.660 1.00 0.00 C ATOM 938 C ALA A 59 -8.020 6.242 3.247 1.00 0.00 C ATOM 939 O ALA A 59 -8.220 5.528 2.266 1.00 0.00 O ATOM 940 CB ALA A 59 -9.607 5.929 5.152 1.00 0.00 C ATOM 0 H ALA A 59 -7.650 6.855 6.322 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.993 4.618 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.315 5.490 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.735 5.468 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.790 7.001 5.229 1.00 0.00 H new ATOM 946 N SER A 60 -7.651 7.513 3.147 1.00 0.00 N ATOM 947 CA SER A 60 -7.477 8.159 1.849 1.00 0.00 C ATOM 948 C SER A 60 -6.353 7.517 1.034 1.00 0.00 C ATOM 949 O SER A 60 -6.538 7.183 -0.135 1.00 0.00 O ATOM 950 CB SER A 60 -7.187 9.649 2.036 1.00 0.00 C ATOM 951 OG SER A 60 -5.991 9.848 2.767 1.00 0.00 O ATOM 0 H SER A 60 -7.466 8.118 3.947 1.00 0.00 H new ATOM 0 HA SER A 60 -8.407 8.029 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.106 10.132 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.019 10.122 2.558 1.00 0.00 H new ATOM 0 HG SER A 60 -5.227 9.834 2.154 1.00 0.00 H new ATOM 957 N ALA A 61 -5.190 7.354 1.658 1.00 0.00 N ATOM 958 CA ALA A 61 -4.028 6.778 0.981 1.00 0.00 C ATOM 959 C ALA A 61 -4.166 5.274 0.729 1.00 0.00 C ATOM 960 O ALA A 61 -3.861 4.799 -0.363 1.00 0.00 O ATOM 961 CB ALA A 61 -2.767 7.064 1.781 1.00 0.00 C ATOM 0 H ALA A 61 -5.025 7.612 2.631 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.963 7.253 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.906 6.632 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.631 8.142 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.858 6.624 2.774 1.00 0.00 H new ATOM 967 N VAL A 62 -4.613 4.529 1.737 1.00 0.00 N ATOM 968 CA VAL A 62 -4.759 3.077 1.608 1.00 0.00 C ATOM 969 C VAL A 62 -5.694 2.688 0.462 1.00 0.00 C ATOM 970 O VAL A 62 -5.521 1.637 -0.156 1.00 0.00 O ATOM 971 CB VAL A 62 -5.268 2.442 2.920 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.494 0.945 2.752 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.286 2.705 4.049 1.00 0.00 C ATOM 0 H VAL A 62 -4.880 4.902 2.648 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.764 2.692 1.385 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.224 2.902 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.852 0.523 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.235 0.774 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.556 0.465 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.658 2.252 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.318 2.273 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.177 3.780 4.193 1.00 0.00 H new ATOM 983 N THR A 63 -6.677 3.534 0.177 1.00 0.00 N ATOM 984 CA THR A 63 -7.633 3.254 -0.891 1.00 0.00 C ATOM 985 C THR A 63 -7.036 3.524 -2.270 1.00 0.00 C ATOM 986 O THR A 63 -7.089 2.669 -3.155 1.00 0.00 O ATOM 987 CB THR A 63 -8.921 4.084 -0.730 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.599 5.475 -0.621 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.701 3.640 0.500 1.00 0.00 C ATOM 0 H THR A 63 -6.834 4.415 0.667 1.00 0.00 H new ATOM 0 HA THR A 63 -7.878 2.195 -0.812 1.00 0.00 H new ATOM 0 HB THR A 63 -9.542 3.924 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.447 5.703 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.606 4.240 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.971 2.589 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.085 3.773 1.389 1.00 0.00 H new ATOM 997 N LYS A 64 -6.470 4.714 -2.449 1.00 0.00 N ATOM 998 CA LYS A 64 -5.873 5.093 -3.728 1.00 0.00 C ATOM 999 C LYS A 64 -4.639 4.249 -4.040 1.00 0.00 C ATOM 1000 O LYS A 64 -4.345 3.972 -5.204 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.493 6.573 -3.720 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.482 6.937 -2.646 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.685 8.170 -3.035 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.684 8.552 -1.957 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.709 7.459 -1.692 1.00 0.00 N ATOM 0 H LYS A 64 -6.412 5.432 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.617 4.913 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.086 6.840 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.394 7.170 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.999 7.117 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.804 6.099 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.159 7.983 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.365 9.003 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.148 9.451 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.216 8.795 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.921 7.828 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.181 6.691 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.343 7.094 -2.594 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.921 3.849 -2.997 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.718 3.040 -3.154 1.00 0.00 C ATOM 1021 C ALA A 65 -3.003 1.792 -3.978 1.00 0.00 C ATOM 1022 O ALA A 65 -2.133 1.289 -4.688 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.158 2.657 -1.792 1.00 0.00 C ATOM 0 H ALA A 65 -4.152 4.073 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.976 3.635 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.260 2.053 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.909 3.560 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.903 2.083 -1.241 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.230 1.297 -3.874 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.640 0.100 -4.599 1.00 0.00 C ATOM 1031 C ILE A 66 -4.611 0.319 -6.111 1.00 0.00 C ATOM 1032 O ILE A 66 -4.085 -0.509 -6.852 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.059 -0.345 -4.184 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.102 -0.672 -2.687 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.509 -1.542 -5.009 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.215 -1.833 -2.286 1.00 0.00 C ATOM 0 H ILE A 66 -4.961 1.707 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.925 -0.681 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.747 0.478 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.804 0.212 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.130 -0.898 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.511 -1.840 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.519 -1.273 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.820 -2.372 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.300 -2.002 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.526 -2.730 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.179 -1.603 -2.536 1.00 0.00 H new ATOM 1048 N ASN A 67 -5.176 1.439 -6.555 1.00 0.00 N ATOM 1049 CA ASN A 67 -5.234 1.763 -7.980 1.00 0.00 C ATOM 1050 C ASN A 67 -3.845 1.843 -8.608 1.00 0.00 C ATOM 1051 O ASN A 67 -3.646 1.417 -9.747 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.968 3.090 -8.186 1.00 0.00 C ATOM 1053 CG ASN A 67 -6.040 3.492 -9.647 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -5.148 4.167 -10.161 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.108 3.083 -10.322 1.00 0.00 N ATOM 0 H ASN A 67 -5.601 2.140 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.777 0.957 -8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.978 3.009 -7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.462 3.873 -7.621 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.213 3.327 -11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.823 2.525 -9.856 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.888 2.393 -7.870 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.526 2.537 -8.374 1.00 0.00 C ATOM 1064 C ILE A 68 -0.768 1.210 -8.371 1.00 0.00 C ATOM 1065 O ILE A 68 -0.208 0.806 -9.388 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.731 3.564 -7.542 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.460 4.911 -7.519 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.676 3.726 -8.103 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.863 5.907 -6.548 1.00 0.00 C ATOM 0 H ILE A 68 -3.028 2.746 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.617 2.886 -9.403 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.653 3.197 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.445 5.340 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.505 4.744 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.224 4.454 -7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.193 2.767 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.619 4.073 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.430 6.837 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.902 5.499 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.174 6.103 -6.820 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.761 0.538 -7.224 1.00 0.00 N ATOM 1082 CA PHE A 69 -0.053 -0.731 -7.078 1.00 0.00 C ATOM 1083 C PHE A 69 -0.564 -1.792 -8.050 1.00 0.00 C ATOM 1084 O PHE A 69 0.206 -2.623 -8.530 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.184 -1.244 -5.643 1.00 0.00 C ATOM 1086 CG PHE A 69 0.681 -2.436 -5.348 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.038 -2.283 -5.120 1.00 0.00 C ATOM 1088 CD2 PHE A 69 0.134 -3.708 -5.295 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.837 -3.377 -4.845 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.928 -4.807 -5.021 1.00 0.00 C ATOM 1091 CZ PHE A 69 2.280 -4.641 -4.796 1.00 0.00 C ATOM 0 H PHE A 69 -1.239 0.852 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 69 0.995 -0.544 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.073 -0.440 -4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.225 -1.505 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.478 -1.297 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.923 -3.843 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.894 -3.244 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.491 -5.794 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.902 -5.498 -4.582 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.861 -1.761 -8.338 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.459 -2.741 -9.239 1.00 0.00 C ATOM 1103 C GLN A 70 -2.051 -2.490 -10.693 1.00 0.00 C ATOM 1104 O GLN A 70 -1.475 -3.359 -11.344 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.991 -2.735 -9.095 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.666 -1.462 -9.582 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.160 -1.454 -9.316 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.633 -2.045 -8.345 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.911 -0.784 -10.183 1.00 0.00 N ATOM 0 H GLN A 70 -2.515 -1.073 -7.964 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.084 -3.726 -8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.398 -3.581 -9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.245 -2.887 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.209 -0.603 -9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.491 -1.349 -10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.476 -0.309 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.923 -0.745 -10.058 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.321 -1.290 -11.181 1.00 0.00 N ATOM 1119 CA LYS A 71 -2.013 -0.927 -12.558 1.00 0.00 C ATOM 1120 C LYS A 71 -0.512 -0.897 -12.835 1.00 0.00 C ATOM 1121 O LYS A 71 -0.100 -0.747 -13.985 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.620 0.438 -12.885 1.00 0.00 C ATOM 1123 CG LYS A 71 -4.141 0.444 -12.889 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.697 1.850 -13.068 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.354 2.422 -14.435 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.871 1.569 -15.541 1.00 0.00 N ATOM 0 H LYS A 71 -2.757 -0.544 -10.639 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.448 -1.696 -13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.264 1.168 -12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.261 0.761 -13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.506 -0.197 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.509 0.023 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.780 1.832 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.297 2.501 -12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.772 3.425 -14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.272 2.519 -14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.846 2.104 -16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.278 0.719 -15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.850 1.287 -15.334 1.00 0.00 H new ATOM 1140 N LEU A 72 0.309 -1.037 -11.797 1.00 0.00 N ATOM 1141 CA LEU A 72 1.755 -0.963 -11.991 1.00 0.00 C ATOM 1142 C LEU A 72 2.474 -2.309 -11.963 1.00 0.00 C ATOM 1143 O LEU A 72 3.372 -2.543 -12.773 1.00 0.00 O ATOM 1144 CB LEU A 72 2.353 -0.109 -10.881 1.00 0.00 C ATOM 1145 CG LEU A 72 2.806 1.291 -11.288 1.00 0.00 C ATOM 1146 CD1 LEU A 72 3.935 1.218 -12.306 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.636 2.096 -11.838 1.00 0.00 C ATOM 0 H LEU A 72 0.008 -1.198 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 72 1.898 -0.542 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.615 -0.014 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.208 -0.639 -10.462 1.00 0.00 H new ATOM 0 HG LEU A 72 3.182 1.799 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.242 2.227 -12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.782 0.687 -11.872 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.590 0.688 -13.194 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.980 3.090 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.226 1.591 -12.712 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.864 2.184 -11.074 1.00 0.00 H new ATOM 1159 N ASN A 73 2.095 -3.194 -11.051 1.00 0.00 N ATOM 1160 CA ASN A 73 2.783 -4.481 -10.956 1.00 0.00 C ATOM 1161 C ASN A 73 1.872 -5.702 -11.061 1.00 0.00 C ATOM 1162 O ASN A 73 2.134 -6.608 -11.853 1.00 0.00 O ATOM 1163 CB ASN A 73 3.570 -4.545 -9.648 1.00 0.00 C ATOM 1164 CG ASN A 73 4.472 -5.762 -9.577 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.900 -6.292 -10.601 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.769 -6.209 -8.363 1.00 0.00 N ATOM 0 H ASN A 73 1.337 -3.055 -10.382 1.00 0.00 H new ATOM 0 HA ASN A 73 3.444 -4.527 -11.821 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.173 -3.643 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.875 -4.562 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.374 -7.023 -8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.392 -5.739 -7.540 1.00 0.00 H new ATOM 1173 N TYR A 74 0.808 -5.727 -10.268 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.084 -6.892 -10.240 1.00 0.00 C ATOM 1175 C TYR A 74 -1.565 -6.527 -10.213 1.00 0.00 C ATOM 1176 O TYR A 74 -2.265 -6.838 -9.248 1.00 0.00 O ATOM 1177 CB TYR A 74 0.250 -7.783 -9.042 1.00 0.00 C ATOM 1178 CG TYR A 74 1.536 -8.566 -9.201 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.734 -9.397 -10.297 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.550 -8.478 -8.254 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.905 -10.118 -10.445 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.722 -9.193 -8.396 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.895 -10.012 -9.492 1.00 0.00 C ATOM 1184 OH TYR A 74 5.063 -10.725 -9.634 1.00 0.00 O ATOM 0 H TYR A 74 0.539 -4.968 -9.642 1.00 0.00 H new ATOM 0 HA TYR A 74 0.089 -7.430 -11.172 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.322 -7.163 -8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.571 -8.481 -8.880 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.960 -9.481 -11.046 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.418 -7.840 -7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.043 -10.760 -11.302 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.500 -9.111 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 74 5.656 -10.536 -8.877 1.00 0.00 H new ATOM 1194 N MET A 75 -2.042 -5.864 -11.260 1.00 0.00 N ATOM 1195 CA MET A 75 -3.450 -5.476 -11.335 1.00 0.00 C ATOM 1196 C MET A 75 -4.370 -6.671 -11.085 1.00 0.00 C ATOM 1197 O MET A 75 -5.545 -6.502 -10.763 1.00 0.00 O ATOM 1198 CB MET A 75 -3.760 -4.857 -12.701 1.00 0.00 C ATOM 1199 CG MET A 75 -3.473 -5.782 -13.872 1.00 0.00 C ATOM 1200 SD MET A 75 -3.955 -5.068 -15.456 1.00 0.00 S ATOM 1201 CE MET A 75 -2.947 -3.588 -15.488 1.00 0.00 C ATOM 0 H MET A 75 -1.481 -5.584 -12.065 1.00 0.00 H new ATOM 0 HA MET A 75 -3.632 -4.736 -10.556 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.810 -4.567 -12.728 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.174 -3.945 -12.818 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.409 -6.016 -13.892 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.004 -6.723 -13.725 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.751 -3.304 -16.522 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.473 -2.778 -14.982 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.002 -3.780 -14.979 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.828 -7.877 -11.236 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.600 -9.096 -11.017 1.00 0.00 C ATOM 1213 C HIS A 76 -4.689 -9.435 -9.529 1.00 0.00 C ATOM 1214 O HIS A 76 -5.776 -9.664 -8.999 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.970 -10.263 -11.776 1.00 0.00 C ATOM 1216 CG HIS A 76 -3.960 -10.078 -13.262 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.907 -10.612 -14.107 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -3.090 -9.401 -14.054 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -4.588 -10.254 -15.358 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -3.494 -9.519 -15.380 1.00 0.00 N ATOM 0 H HIS A 76 -2.858 -8.036 -11.509 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.610 -8.924 -11.390 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.946 -10.400 -11.429 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.513 -11.177 -11.536 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.223 -8.857 -13.710 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.154 -10.532 -16.235 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.038 -9.119 -16.200 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.536 -9.466 -8.863 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.477 -9.787 -7.439 1.00 0.00 C ATOM 1230 C ILE A 77 -4.198 -8.742 -6.592 1.00 0.00 C ATOM 1231 O ILE A 77 -5.022 -9.082 -5.741 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.015 -9.903 -6.951 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.332 -11.112 -7.596 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.962 -10.001 -5.431 1.00 0.00 C ATOM 1235 CD1 ILE A 77 0.129 -11.258 -7.222 1.00 0.00 C ATOM 0 H ILE A 77 -2.629 -9.272 -9.288 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.978 -10.747 -7.319 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.478 -9.003 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.865 -12.017 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.414 -11.029 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.924 -10.082 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.410 -9.109 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.514 -10.882 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.545 -12.136 -7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.676 -10.370 -7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.218 -11.374 -6.142 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.881 -7.472 -6.826 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.490 -6.379 -6.076 1.00 0.00 C ATOM 1249 C ALA A 78 -6.013 -6.419 -6.160 1.00 0.00 C ATOM 1250 O ALA A 78 -6.704 -6.005 -5.229 1.00 0.00 O ATOM 1251 CB ALA A 78 -3.969 -5.042 -6.575 1.00 0.00 C ATOM 0 H ALA A 78 -3.205 -7.174 -7.530 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.213 -6.501 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.432 -4.236 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.887 -5.002 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.213 -4.928 -7.631 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.531 -6.916 -7.281 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.974 -7.009 -7.484 1.00 0.00 C ATOM 1259 C ASN A 79 -8.643 -7.744 -6.325 1.00 0.00 C ATOM 1260 O ASN A 79 -9.761 -7.416 -5.929 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.281 -7.726 -8.800 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.757 -7.689 -9.146 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.225 -6.775 -9.824 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.499 -8.686 -8.679 1.00 0.00 N ATOM 0 H ASN A 79 -5.973 -7.260 -8.062 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.373 -5.996 -7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.710 -7.263 -9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.952 -8.763 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.499 -8.715 -8.879 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.069 -9.423 -8.121 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.959 -8.752 -5.798 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.480 -9.530 -4.680 1.00 0.00 C ATOM 1273 C ALA A 80 -8.434 -8.734 -3.377 1.00 0.00 C ATOM 1274 O ALA A 80 -9.288 -8.902 -2.506 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.700 -10.829 -4.534 1.00 0.00 C ATOM 0 H ALA A 80 -7.041 -9.051 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.524 -9.763 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.099 -11.401 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.793 -11.414 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.649 -10.604 -4.352 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.431 -7.868 -3.254 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.251 -7.057 -2.051 1.00 0.00 C ATOM 1283 C LEU A 81 -8.316 -5.966 -1.927 1.00 0.00 C ATOM 1284 O LEU A 81 -8.894 -5.777 -0.858 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.858 -6.422 -2.054 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.708 -7.380 -2.373 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -3.384 -6.632 -2.400 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.659 -8.516 -1.361 1.00 0.00 C ATOM 0 H LEU A 81 -6.728 -7.709 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.356 -7.719 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.847 -5.611 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.677 -5.975 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.882 -7.809 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.577 -7.328 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.420 -5.856 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.204 -6.175 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.835 -9.186 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.510 -8.107 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.597 -9.070 -1.390 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.563 -5.247 -3.019 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.548 -4.165 -3.021 1.00 0.00 C ATOM 1302 C GLU A 82 -10.919 -4.651 -2.550 1.00 0.00 C ATOM 1303 O GLU A 82 -11.722 -3.867 -2.047 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.663 -3.546 -4.414 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.173 -4.507 -5.472 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.292 -3.860 -6.839 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.281 -3.830 -7.571 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.396 -3.384 -7.175 1.00 0.00 O ATOM 0 H GLU A 82 -8.096 -5.393 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.200 -3.406 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.331 -2.686 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.685 -3.173 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.500 -5.362 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.147 -4.891 -5.170 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.184 -5.943 -2.723 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.460 -6.524 -2.313 1.00 0.00 C ATOM 1317 C GLU A 83 -12.697 -6.319 -0.818 1.00 0.00 C ATOM 1318 O GLU A 83 -13.832 -6.142 -0.376 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.494 -8.017 -2.647 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.824 -8.683 -2.331 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.846 -10.151 -2.712 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.171 -10.456 -3.879 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.538 -10.995 -1.844 1.00 0.00 O ATOM 0 H GLU A 83 -10.534 -6.607 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.255 -6.017 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.274 -8.149 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.703 -8.523 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.031 -8.585 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.622 -8.162 -2.860 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.615 -6.344 -0.048 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.690 -6.164 1.398 1.00 0.00 C ATOM 1332 C LYS A 84 -12.176 -4.760 1.754 1.00 0.00 C ATOM 1333 O LYS A 84 -12.781 -4.553 2.805 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.325 -6.423 2.040 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.367 -6.467 3.561 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.988 -6.716 4.158 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.434 -8.073 3.750 1.00 0.00 C ATOM 1338 NZ LYS A 84 -9.344 -9.185 4.142 1.00 0.00 N ATOM 0 H LYS A 84 -10.670 -6.488 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.409 -6.885 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.931 -7.369 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.631 -5.643 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.763 -5.525 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.050 -7.253 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.304 -5.932 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.046 -6.659 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.280 -8.093 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.459 -8.221 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.838 -10.091 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.660 -9.045 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.170 -9.197 3.510 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.895 -3.801 0.875 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.288 -2.410 1.094 1.00 0.00 C ATOM 1354 C LYS A 85 -13.772 -2.294 1.438 1.00 0.00 C ATOM 1355 O LYS A 85 -14.159 -1.474 2.271 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.978 -1.574 -0.150 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.269 -0.092 0.019 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.054 0.676 -1.278 1.00 0.00 C ATOM 1359 CE LYS A 85 -10.577 0.869 -1.587 1.00 0.00 C ATOM 1360 NZ LYS A 85 -9.929 -0.388 -2.055 1.00 0.00 N ATOM 0 H LYS A 85 -11.395 -3.962 0.001 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.714 -2.032 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.927 -1.701 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.561 -1.956 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.298 0.041 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.625 0.319 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.529 0.140 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.540 1.649 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.465 1.639 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.065 1.229 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.319 -0.181 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.354 -0.789 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.660 -1.073 -2.334 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.596 -3.113 0.793 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.035 -3.098 1.040 1.00 0.00 C ATOM 1376 C LYS A 86 -16.336 -3.334 2.518 1.00 0.00 C ATOM 1377 O LYS A 86 -17.272 -2.757 3.072 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.731 -4.160 0.188 1.00 0.00 C ATOM 1379 CG LYS A 86 -18.249 -4.132 0.293 1.00 0.00 C ATOM 1380 CD LYS A 86 -18.823 -2.814 -0.207 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.601 -2.640 -1.701 1.00 0.00 C ATOM 1382 NZ LYS A 86 -18.996 -1.283 -2.167 1.00 0.00 N ATOM 0 H LYS A 86 -14.294 -3.794 0.097 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.416 -2.115 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.445 -4.021 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.373 -5.145 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.669 -4.955 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.545 -4.288 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.890 -2.775 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.358 -1.987 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.550 -2.812 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.175 -3.391 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.829 -1.205 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.005 -1.128 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.430 -0.567 -1.669 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.536 -4.189 3.146 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.706 -4.507 4.559 1.00 0.00 C ATOM 1398 C GLU A 87 -15.160 -3.382 5.435 1.00 0.00 C ATOM 1399 O GLU A 87 -15.628 -3.165 6.551 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.000 -5.822 4.893 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.188 -6.268 6.334 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.482 -7.576 6.633 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -13.298 -7.535 7.029 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -15.112 -8.642 6.469 1.00 0.00 O ATOM 0 H GLU A 87 -14.761 -4.676 2.697 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.772 -4.615 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.372 -6.602 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.934 -5.713 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.811 -5.494 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.252 -6.378 6.541 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.161 -2.675 4.918 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.543 -1.572 5.643 1.00 0.00 C ATOM 1413 C ALA A 88 -14.529 -0.428 5.853 1.00 0.00 C ATOM 1414 O ALA A 88 -14.425 0.323 6.822 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.313 -1.079 4.896 1.00 0.00 C ATOM 0 H ALA A 88 -13.761 -2.848 3.996 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.241 -1.938 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.859 -0.255 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.594 -1.893 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.604 -0.736 3.903 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.483 -0.305 4.935 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.490 0.749 5.008 1.00 0.00 C ATOM 1423 C GLU A 89 -17.166 0.781 6.377 1.00 0.00 C ATOM 1424 O GLU A 89 -17.230 1.828 7.021 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.541 0.549 3.915 1.00 0.00 C ATOM 1426 CG GLU A 89 -16.972 0.586 2.506 1.00 0.00 C ATOM 1427 CD GLU A 89 -16.354 1.927 2.162 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -15.144 2.106 2.416 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -17.080 2.799 1.640 1.00 0.00 O ATOM 0 H GLU A 89 -15.580 -0.924 4.130 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.985 1.703 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.038 -0.409 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.303 1.323 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.218 -0.195 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.764 0.361 1.792 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.670 -0.369 6.815 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.347 -0.463 8.104 1.00 0.00 C ATOM 1438 C ARG A 90 -17.359 -0.336 9.263 1.00 0.00 C ATOM 1439 O ARG A 90 -17.740 0.033 10.374 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.110 -1.785 8.212 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.223 -3.012 8.088 1.00 0.00 C ATOM 1442 CD ARG A 90 -19.007 -4.291 8.327 1.00 0.00 C ATOM 1443 NE ARG A 90 -20.109 -4.444 7.380 1.00 0.00 N ATOM 1444 CZ ARG A 90 -21.055 -5.373 7.489 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -21.029 -6.235 8.497 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -22.026 -5.442 6.588 1.00 0.00 N ATOM 0 H ARG A 90 -17.623 -1.247 6.298 1.00 0.00 H new ATOM 0 HA ARG A 90 -19.054 0.364 8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.629 -1.818 9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.873 -1.819 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.774 -3.039 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.405 -2.945 8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.337 -5.147 8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.400 -4.290 9.344 1.00 0.00 H new ATOM 0 HE ARG A 90 -20.156 -3.801 6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.283 -6.186 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -21.755 -6.946 8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -22.048 -4.782 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -22.751 -6.155 6.673 1.00 0.00 H new ATOM 1460 N LYS A 91 -16.091 -0.644 9.000 1.00 0.00 N ATOM 1461 CA LYS A 91 -15.059 -0.563 10.031 1.00 0.00 C ATOM 1462 C LYS A 91 -14.825 0.881 10.464 1.00 0.00 C ATOM 1463 O LYS A 91 -14.435 1.140 11.603 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.746 -1.168 9.527 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.787 -2.681 9.370 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.457 -3.229 8.868 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.332 -2.981 9.863 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.608 -3.610 11.183 1.00 0.00 N ATOM 0 H LYS A 91 -15.755 -0.950 8.087 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.408 -1.132 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.495 -0.719 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.946 -0.906 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.032 -3.140 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.580 -2.954 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.551 -4.299 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.208 -2.763 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.399 -3.376 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.194 -1.908 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.744 -3.596 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.360 -3.081 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.914 -4.594 11.042 1.00 0.00 H new ATOM 1482 N LEU A 92 -15.064 1.817 9.551 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.873 3.233 9.840 1.00 0.00 C ATOM 1484 C LEU A 92 -16.212 3.938 10.043 1.00 0.00 C ATOM 1485 O LEU A 92 -16.255 5.107 10.428 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.094 3.911 8.707 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.590 3.609 8.662 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -11.920 4.009 9.967 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.344 2.136 8.364 1.00 0.00 C ATOM 0 H LEU A 92 -15.390 1.620 8.605 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.299 3.310 10.763 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.535 3.610 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.227 4.989 8.793 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.151 4.199 7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.854 3.786 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.059 5.077 10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.366 3.451 10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.271 1.945 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.802 1.526 9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.783 1.882 7.399 1.00 0.00 H new