USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 790 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 19 LYS NZ :NH3+ -167:sc= -1.32! (180deg=-0.434) USER MOD Set 1.2: A 25 HIS : no HE2:sc= -12.1! C(o=-13!,f=-19!) USER MOD Single : A 1 MET CE :methyl -140:sc= -0.0604 (180deg=-0.353) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 31:sc= 0.398 USER MOD Single : A 5 ASN : amide:sc= 0.308 K(o=0.31,f=-0.5) USER MOD Single : A 7 GLN :FLIP amide:sc= -1.97! C(o=-3.9!,f=-2!) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00524) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 168:sc= 0.793 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= -0.518 (180deg=-1.82!) USER MOD Single : A 23 TYR OH : rot -151:sc= -1.09 USER MOD Single : A 33 MET CE :methyl 180:sc=-0.00793 (180deg=-0.00793) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4.1!) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= -2 (180deg=-4.03!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.89! C(o=-3.9!,f=-11!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 53 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.025) USER MOD Single : A 55 THR OG1 : rot 62:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00351 USER MOD Single : A 69 SER OG : rot -50:sc= -0.441 USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= -0.0106 (180deg=-0.808) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.596 F(o=-5.1!,f=-0.6) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -6.77! C(o=-11!,f=-6.8!) USER MOD Single : A 92 ASN : amide:sc= -4.67 X(o=-4.7,f=-4.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.580 20.789 20.480 1.00 0.00 N ATOM 2 CA MET A 1 10.699 20.511 19.359 1.00 0.00 C ATOM 3 C MET A 1 10.017 19.152 19.520 1.00 0.00 C ATOM 4 O MET A 1 10.650 18.112 19.344 1.00 0.00 O ATOM 5 CB MET A 1 11.508 20.526 18.059 1.00 0.00 C ATOM 6 CG MET A 1 11.483 21.913 17.413 1.00 0.00 C ATOM 7 SD MET A 1 13.026 22.222 16.572 1.00 0.00 S ATOM 8 CE MET A 1 14.088 22.529 17.974 1.00 0.00 C ATOM 0 H1 MET A 1 12.030 21.717 20.346 1.00 0.00 H new ATOM 0 H2 MET A 1 11.028 20.796 21.362 1.00 0.00 H new ATOM 0 H3 MET A 1 12.313 20.053 20.536 1.00 0.00 H new ATOM 0 HA MET A 1 9.928 21.281 19.328 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.538 20.235 18.264 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.101 19.790 17.365 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.655 21.980 16.707 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.315 22.675 18.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.767 23.350 17.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.481 22.793 18.840 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.665 21.632 18.196 1.00 0.00 H new ATOM 18 N SER A 2 8.737 19.204 19.855 1.00 0.00 N ATOM 19 CA SER A 2 7.962 17.990 20.042 1.00 0.00 C ATOM 20 C SER A 2 6.700 18.035 19.179 1.00 0.00 C ATOM 21 O SER A 2 5.761 18.771 19.482 1.00 0.00 O ATOM 22 CB SER A 2 7.590 17.795 21.514 1.00 0.00 C ATOM 23 OG SER A 2 8.692 17.318 22.283 1.00 0.00 O ATOM 0 H SER A 2 8.217 20.069 20.002 1.00 0.00 H new ATOM 0 HA SER A 2 8.575 17.143 19.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.241 18.741 21.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.763 17.089 21.589 1.00 0.00 H new ATOM 0 HG SER A 2 8.416 17.208 23.217 1.00 0.00 H new ATOM 29 N ARG A 3 6.717 17.240 18.119 1.00 0.00 N ATOM 30 CA ARG A 3 5.585 17.180 17.210 1.00 0.00 C ATOM 31 C ARG A 3 4.662 16.019 17.584 1.00 0.00 C ATOM 32 O ARG A 3 5.122 14.995 18.091 1.00 0.00 O ATOM 33 CB ARG A 3 6.050 17.006 15.763 1.00 0.00 C ATOM 34 CG ARG A 3 6.610 15.599 15.532 1.00 0.00 C ATOM 35 CD ARG A 3 7.720 15.617 14.480 1.00 0.00 C ATOM 36 NE ARG A 3 8.988 15.141 15.075 1.00 0.00 N ATOM 37 CZ ARG A 3 9.202 13.881 15.479 1.00 0.00 C ATOM 38 NH1 ARG A 3 8.234 12.964 15.353 1.00 0.00 N ATOM 39 NH2 ARG A 3 10.385 13.537 16.007 1.00 0.00 N ATOM 0 H ARG A 3 7.497 16.632 17.869 1.00 0.00 H new ATOM 0 HA ARG A 3 5.042 18.121 17.296 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.215 17.185 15.085 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.814 17.748 15.531 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.998 15.200 16.469 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.809 14.933 15.210 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.444 14.984 13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.848 16.627 14.091 1.00 0.00 H new ATOM 0 HE ARG A 3 9.747 15.814 15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.334 13.225 14.950 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.397 12.005 15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.123 14.234 16.102 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.547 12.578 16.314 1.00 0.00 H new ATOM 53 N SER A 4 3.378 16.215 17.322 1.00 0.00 N ATOM 54 CA SER A 4 2.388 15.198 17.626 1.00 0.00 C ATOM 55 C SER A 4 2.104 14.354 16.381 1.00 0.00 C ATOM 56 O SER A 4 1.610 14.869 15.378 1.00 0.00 O ATOM 57 CB SER A 4 1.095 15.825 18.150 1.00 0.00 C ATOM 58 OG SER A 4 0.530 16.740 17.213 1.00 0.00 O ATOM 0 H SER A 4 3.001 17.065 16.902 1.00 0.00 H new ATOM 0 HA SER A 4 2.789 14.554 18.409 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.373 15.038 18.370 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.297 16.343 19.087 1.00 0.00 H new ATOM 0 HG SER A 4 0.744 16.449 16.302 1.00 0.00 H new ATOM 64 N ASN A 5 2.427 13.075 16.484 1.00 0.00 N ATOM 65 CA ASN A 5 2.212 12.157 15.380 1.00 0.00 C ATOM 66 C ASN A 5 1.132 11.144 15.764 1.00 0.00 C ATOM 67 O ASN A 5 0.789 11.015 16.939 1.00 0.00 O ATOM 68 CB ASN A 5 3.491 11.382 15.049 1.00 0.00 C ATOM 69 CG ASN A 5 4.051 10.694 16.297 1.00 0.00 C ATOM 70 OD1 ASN A 5 4.703 11.298 17.131 1.00 0.00 O ATOM 71 ND2 ASN A 5 3.760 9.398 16.375 1.00 0.00 N ATOM 0 H ASN A 5 2.837 12.652 17.317 1.00 0.00 H new ATOM 0 HA ASN A 5 1.909 12.742 14.512 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.281 10.637 14.281 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.237 12.062 14.638 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.088 8.849 17.169 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.209 8.954 15.641 1.00 0.00 H new ATOM 78 N ARG A 6 0.626 10.453 14.754 1.00 0.00 N ATOM 79 CA ARG A 6 -0.408 9.456 14.973 1.00 0.00 C ATOM 80 C ARG A 6 0.221 8.081 15.212 1.00 0.00 C ATOM 81 O ARG A 6 1.444 7.947 15.209 1.00 0.00 O ATOM 82 CB ARG A 6 -1.356 9.374 13.775 1.00 0.00 C ATOM 83 CG ARG A 6 -0.749 8.529 12.653 1.00 0.00 C ATOM 84 CD ARG A 6 -1.092 9.112 11.280 1.00 0.00 C ATOM 85 NE ARG A 6 -0.180 10.236 10.967 1.00 0.00 N ATOM 86 CZ ARG A 6 1.022 10.091 10.395 1.00 0.00 C ATOM 87 NH1 ARG A 6 1.466 8.869 10.069 1.00 0.00 N ATOM 88 NH2 ARG A 6 1.781 11.167 10.147 1.00 0.00 N ATOM 0 H ARG A 6 0.913 10.564 13.781 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.977 9.757 15.853 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.306 8.941 14.088 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.569 10.377 13.405 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.333 8.483 12.772 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.121 7.507 12.721 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.007 8.340 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.126 9.458 11.270 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.487 11.180 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.888 8.050 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.382 8.759 9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.443 12.097 10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.697 11.056 9.711 1.00 0.00 H new ATOM 102 N GLN A 7 -0.642 7.098 15.414 1.00 0.00 N ATOM 103 CA GLN A 7 -0.186 5.740 15.655 1.00 0.00 C ATOM 104 C GLN A 7 -0.491 4.855 14.444 1.00 0.00 C ATOM 105 O GLN A 7 0.121 5.010 13.388 1.00 0.00 O ATOM 106 CB GLN A 7 -0.817 5.166 16.925 1.00 0.00 C ATOM 107 CG GLN A 7 -2.304 5.517 17.005 1.00 0.00 C ATOM 108 CD GLN A 7 -2.502 6.966 17.452 1.00 0.00 C ATOM 109 OE1 GLN A 7 -3.168 7.717 16.578 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 -2.079 7.378 18.520 1.00 0.00 N flip ATOM 0 H GLN A 7 -1.655 7.214 15.416 1.00 0.00 H new ATOM 0 HA GLN A 7 0.894 5.762 15.803 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.694 4.083 16.939 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.300 5.557 17.801 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.770 5.366 16.031 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.803 4.846 17.704 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.575 6.749 19.146 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.229 8.351 18.787 1.00 0.00 H new ATOM 119 N LYS A 8 -1.437 3.949 14.637 1.00 0.00 N ATOM 120 CA LYS A 8 -1.831 3.039 13.573 1.00 0.00 C ATOM 121 C LYS A 8 -2.851 3.732 12.668 1.00 0.00 C ATOM 122 O LYS A 8 -3.481 3.089 11.829 1.00 0.00 O ATOM 123 CB LYS A 8 -2.327 1.715 14.156 1.00 0.00 C ATOM 124 CG LYS A 8 -3.184 1.951 15.403 1.00 0.00 C ATOM 125 CD LYS A 8 -4.216 3.054 15.157 1.00 0.00 C ATOM 126 CE LYS A 8 -5.259 2.611 14.129 1.00 0.00 C ATOM 127 NZ LYS A 8 -6.245 1.700 14.750 1.00 0.00 N ATOM 0 H LYS A 8 -1.943 3.825 15.514 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.972 2.785 12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.909 1.179 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.476 1.084 14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.692 1.027 15.680 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.545 2.226 16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.710 3.310 16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.713 3.955 14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.769 3.484 13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.767 2.110 13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.974 1.450 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.764 0.836 15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.691 2.173 15.562 1.00 0.00 H new ATOM 141 N GLU A 9 -2.981 5.036 12.866 1.00 0.00 N ATOM 142 CA GLU A 9 -3.913 5.823 12.077 1.00 0.00 C ATOM 143 C GLU A 9 -3.661 5.605 10.583 1.00 0.00 C ATOM 144 O GLU A 9 -2.556 5.840 10.097 1.00 0.00 O ATOM 145 CB GLU A 9 -3.821 7.307 12.438 1.00 0.00 C ATOM 146 CG GLU A 9 -5.116 7.794 13.093 1.00 0.00 C ATOM 147 CD GLU A 9 -5.243 9.316 12.988 1.00 0.00 C ATOM 148 OE1 GLU A 9 -5.190 9.813 11.843 1.00 0.00 O ATOM 149 OE2 GLU A 9 -5.390 9.947 14.058 1.00 0.00 O ATOM 0 H GLU A 9 -2.456 5.567 13.561 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.925 5.489 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.983 7.469 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.621 7.892 11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.972 7.320 12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.133 7.495 14.141 1.00 0.00 H new ATOM 156 N TYR A 10 -4.704 5.160 9.898 1.00 0.00 N ATOM 157 CA TYR A 10 -4.610 4.908 8.470 1.00 0.00 C ATOM 158 C TYR A 10 -5.942 5.188 7.775 1.00 0.00 C ATOM 159 O TYR A 10 -6.971 4.624 8.145 1.00 0.00 O ATOM 160 CB TYR A 10 -4.274 3.422 8.326 1.00 0.00 C ATOM 161 CG TYR A 10 -5.493 2.500 8.399 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.200 2.384 9.579 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.885 1.784 7.288 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.348 1.517 9.649 1.00 0.00 C ATOM 165 CE2 TYR A 10 -7.031 0.916 7.356 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.706 0.825 8.534 1.00 0.00 C ATOM 167 OH TYR A 10 -8.789 0.005 8.599 1.00 0.00 O ATOM 0 H TYR A 10 -5.619 4.967 10.306 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.858 5.553 8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.768 3.265 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.571 3.141 9.110 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.892 2.944 10.450 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.331 1.875 6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.911 1.419 10.565 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.348 0.350 6.492 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.927 -0.424 7.729 1.00 0.00 H new ATOM 177 N LYS A 11 -5.882 6.061 6.780 1.00 0.00 N ATOM 178 CA LYS A 11 -7.072 6.423 6.029 1.00 0.00 C ATOM 179 C LYS A 11 -6.693 6.669 4.567 1.00 0.00 C ATOM 180 O LYS A 11 -5.514 6.636 4.214 1.00 0.00 O ATOM 181 CB LYS A 11 -7.782 7.607 6.687 1.00 0.00 C ATOM 182 CG LYS A 11 -8.765 7.131 7.758 1.00 0.00 C ATOM 183 CD LYS A 11 -10.205 7.473 7.370 1.00 0.00 C ATOM 184 CE LYS A 11 -10.857 6.321 6.606 1.00 0.00 C ATOM 185 NZ LYS A 11 -12.059 6.792 5.883 1.00 0.00 N ATOM 0 H LYS A 11 -5.028 6.528 6.476 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.791 5.604 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.045 8.274 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.314 8.183 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.667 6.054 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.521 7.596 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.784 7.693 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.215 8.373 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.144 5.896 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.131 5.526 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.489 5.996 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.745 7.176 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.789 7.535 5.207 1.00 0.00 H new ATOM 199 N CYS A 12 -7.713 6.911 3.756 1.00 0.00 N ATOM 200 CA CYS A 12 -7.500 7.162 2.341 1.00 0.00 C ATOM 201 C CYS A 12 -6.332 8.139 2.197 1.00 0.00 C ATOM 202 O CYS A 12 -6.366 9.238 2.747 1.00 0.00 O ATOM 203 CB CYS A 12 -8.768 7.685 1.663 1.00 0.00 C ATOM 204 SG CYS A 12 -8.781 7.199 -0.101 1.00 0.00 S ATOM 0 H CYS A 12 -8.689 6.938 4.052 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.255 6.228 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.650 7.286 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.815 8.770 1.750 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.963 7.410 -0.601 1.00 0.00 H new ATOM 210 N GLY A 13 -5.326 7.704 1.453 1.00 0.00 N ATOM 211 CA GLY A 13 -4.149 8.527 1.229 1.00 0.00 C ATOM 212 C GLY A 13 -2.991 8.083 2.125 1.00 0.00 C ATOM 213 O GLY A 13 -1.962 8.753 2.194 1.00 0.00 O ATOM 0 H GLY A 13 -5.301 6.792 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.850 8.463 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.388 9.572 1.428 1.00 0.00 H new ATOM 217 N ASP A 14 -3.198 6.955 2.790 1.00 0.00 N ATOM 218 CA ASP A 14 -2.184 6.414 3.678 1.00 0.00 C ATOM 219 C ASP A 14 -1.449 5.273 2.971 1.00 0.00 C ATOM 220 O ASP A 14 -2.074 4.415 2.352 1.00 0.00 O ATOM 221 CB ASP A 14 -2.814 5.850 4.954 1.00 0.00 C ATOM 222 CG ASP A 14 -1.825 5.231 5.944 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.124 6.020 6.612 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.794 3.983 6.010 1.00 0.00 O ATOM 0 H ASP A 14 -4.053 6.402 2.731 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.499 7.221 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.357 6.650 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.548 5.094 4.675 1.00 0.00 H new ATOM 229 N LEU A 15 -0.128 5.301 3.088 1.00 0.00 N ATOM 230 CA LEU A 15 0.700 4.282 2.468 1.00 0.00 C ATOM 231 C LEU A 15 1.051 3.215 3.508 1.00 0.00 C ATOM 232 O LEU A 15 1.382 3.539 4.647 1.00 0.00 O ATOM 233 CB LEU A 15 1.921 4.915 1.801 1.00 0.00 C ATOM 234 CG LEU A 15 2.326 4.328 0.447 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.964 2.844 0.363 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.716 5.132 -0.704 1.00 0.00 C ATOM 0 H LEU A 15 0.388 6.014 3.603 1.00 0.00 H new ATOM 0 HA LEU A 15 0.154 3.782 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.727 5.980 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.768 4.827 2.481 1.00 0.00 H new ATOM 0 HG LEU A 15 3.409 4.402 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.262 2.451 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.484 2.298 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.888 2.724 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.019 4.694 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.629 5.112 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.065 6.163 -0.652 1.00 0.00 H new ATOM 248 N VAL A 16 0.970 1.964 3.076 1.00 0.00 N ATOM 249 CA VAL A 16 1.275 0.849 3.956 1.00 0.00 C ATOM 250 C VAL A 16 1.631 -0.378 3.112 1.00 0.00 C ATOM 251 O VAL A 16 1.592 -0.322 1.884 1.00 0.00 O ATOM 252 CB VAL A 16 0.107 0.600 4.911 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.280 1.394 6.207 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.229 0.926 4.241 1.00 0.00 C ATOM 0 H VAL A 16 0.698 1.699 2.129 1.00 0.00 H new ATOM 0 HA VAL A 16 2.140 1.079 4.578 1.00 0.00 H new ATOM 0 HB VAL A 16 0.103 -0.460 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.564 1.199 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.204 1.091 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.323 2.459 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.043 0.740 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.240 1.974 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.358 0.296 3.361 1.00 0.00 H new ATOM 264 N PHE A 17 1.968 -1.455 3.804 1.00 0.00 N ATOM 265 CA PHE A 17 2.329 -2.693 3.135 1.00 0.00 C ATOM 266 C PHE A 17 1.105 -3.593 2.949 1.00 0.00 C ATOM 267 O PHE A 17 0.337 -3.803 3.886 1.00 0.00 O ATOM 268 CB PHE A 17 3.342 -3.407 4.030 1.00 0.00 C ATOM 269 CG PHE A 17 4.691 -3.670 3.358 1.00 0.00 C ATOM 270 CD1 PHE A 17 4.735 -4.198 2.106 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.846 -3.375 4.012 1.00 0.00 C ATOM 272 CE1 PHE A 17 5.987 -4.442 1.481 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.099 -3.618 3.389 1.00 0.00 C ATOM 274 CZ PHE A 17 7.143 -4.146 2.137 1.00 0.00 C ATOM 0 H PHE A 17 1.999 -1.496 4.823 1.00 0.00 H new ATOM 0 HA PHE A 17 2.740 -2.477 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.505 -2.808 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.918 -4.357 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.818 -4.432 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.811 -2.955 5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.022 -4.862 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.016 -3.384 3.909 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.095 -4.331 1.662 1.00 0.00 H new ATOM 284 N ALA A 18 0.963 -4.102 1.734 1.00 0.00 N ATOM 285 CA ALA A 18 -0.153 -4.974 1.414 1.00 0.00 C ATOM 286 C ALA A 18 0.373 -6.238 0.731 1.00 0.00 C ATOM 287 O ALA A 18 1.159 -6.158 -0.211 1.00 0.00 O ATOM 288 CB ALA A 18 -1.159 -4.217 0.545 1.00 0.00 C ATOM 0 H ALA A 18 1.603 -3.927 0.959 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.673 -5.282 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.997 -4.871 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.524 -3.344 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.674 -3.895 -0.377 1.00 0.00 H new ATOM 294 N LYS A 19 -0.083 -7.376 1.233 1.00 0.00 N ATOM 295 CA LYS A 19 0.331 -8.657 0.684 1.00 0.00 C ATOM 296 C LYS A 19 -0.892 -9.385 0.124 1.00 0.00 C ATOM 297 O LYS A 19 -2.009 -9.180 0.591 1.00 0.00 O ATOM 298 CB LYS A 19 1.104 -9.463 1.730 1.00 0.00 C ATOM 299 CG LYS A 19 0.149 -10.243 2.637 1.00 0.00 C ATOM 300 CD LYS A 19 -0.473 -9.328 3.694 1.00 0.00 C ATOM 301 CE LYS A 19 -0.485 -10.004 5.066 1.00 0.00 C ATOM 302 NZ LYS A 19 0.897 -10.201 5.559 1.00 0.00 N ATOM 0 H LYS A 19 -0.736 -7.438 2.014 1.00 0.00 H new ATOM 0 HA LYS A 19 1.023 -8.512 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.784 -10.154 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.716 -8.792 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.638 -10.698 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.687 -11.055 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.089 -8.396 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.491 -9.070 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.046 -9.394 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.994 -10.965 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.886 -10.848 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.481 -10.608 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.296 -9.286 5.850 1.00 0.00 H new ATOM 316 N MET A 20 -0.636 -10.224 -0.870 1.00 0.00 N ATOM 317 CA MET A 20 -1.702 -10.986 -1.499 1.00 0.00 C ATOM 318 C MET A 20 -1.318 -12.461 -1.628 1.00 0.00 C ATOM 319 O MET A 20 -0.136 -12.800 -1.646 1.00 0.00 O ATOM 320 CB MET A 20 -1.991 -10.410 -2.886 1.00 0.00 C ATOM 321 CG MET A 20 -3.231 -11.060 -3.501 1.00 0.00 C ATOM 322 SD MET A 20 -4.144 -9.855 -4.452 1.00 0.00 S ATOM 323 CE MET A 20 -5.315 -10.926 -5.268 1.00 0.00 C ATOM 0 H MET A 20 0.293 -10.393 -1.255 1.00 0.00 H new ATOM 0 HA MET A 20 -2.592 -10.915 -0.874 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.139 -9.333 -2.813 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.131 -10.570 -3.537 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.936 -11.892 -4.140 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.864 -11.471 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.968 -10.331 -5.907 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.779 -11.655 -5.875 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.914 -11.446 -4.521 1.00 0.00 H new ATOM 333 N LYS A 21 -2.341 -13.301 -1.714 1.00 0.00 N ATOM 334 CA LYS A 21 -2.126 -14.732 -1.841 1.00 0.00 C ATOM 335 C LYS A 21 -1.257 -15.006 -3.070 1.00 0.00 C ATOM 336 O LYS A 21 -1.639 -14.673 -4.192 1.00 0.00 O ATOM 337 CB LYS A 21 -3.464 -15.475 -1.855 1.00 0.00 C ATOM 338 CG LYS A 21 -3.259 -16.976 -1.639 1.00 0.00 C ATOM 339 CD LYS A 21 -3.246 -17.319 -0.149 1.00 0.00 C ATOM 340 CE LYS A 21 -1.813 -17.394 0.384 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.512 -16.220 1.233 1.00 0.00 N ATOM 0 H LYS A 21 -3.320 -13.017 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.584 -15.114 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.113 -15.077 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.968 -15.306 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.055 -17.531 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.320 -17.288 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.805 -16.566 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.748 -18.273 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.681 -18.310 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.111 -17.437 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.549 -15.883 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.194 -15.461 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.581 -16.489 2.235 1.00 0.00 H new ATOM 355 N GLY A 22 -0.105 -15.609 -2.819 1.00 0.00 N ATOM 356 CA GLY A 22 0.821 -15.931 -3.891 1.00 0.00 C ATOM 357 C GLY A 22 1.852 -14.816 -4.079 1.00 0.00 C ATOM 358 O GLY A 22 2.918 -15.040 -4.650 1.00 0.00 O ATOM 0 H GLY A 22 0.209 -15.883 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.331 -16.868 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.270 -16.082 -4.819 1.00 0.00 H new ATOM 362 N TYR A 23 1.498 -13.637 -3.588 1.00 0.00 N ATOM 363 CA TYR A 23 2.379 -12.487 -3.694 1.00 0.00 C ATOM 364 C TYR A 23 2.863 -12.038 -2.314 1.00 0.00 C ATOM 365 O TYR A 23 2.078 -11.963 -1.371 1.00 0.00 O ATOM 366 CB TYR A 23 1.540 -11.370 -4.317 1.00 0.00 C ATOM 367 CG TYR A 23 2.349 -10.375 -5.153 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.963 -10.792 -6.317 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.464 -9.063 -4.744 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.725 -9.856 -7.102 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.225 -8.126 -5.530 1.00 0.00 C ATOM 372 CZ TYR A 23 3.818 -8.570 -6.671 1.00 0.00 C ATOM 373 OH TYR A 23 4.537 -7.687 -7.413 1.00 0.00 O ATOM 0 H TYR A 23 0.613 -13.454 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 23 3.259 -12.730 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.770 -11.816 -4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.027 -10.828 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.872 -11.819 -6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.983 -8.738 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.212 -10.169 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.322 -7.096 -5.221 1.00 0.00 H new ATOM 0 HH TYR A 23 4.909 -6.994 -6.828 1.00 0.00 H new ATOM 383 N PRO A 24 4.189 -11.742 -2.239 1.00 0.00 N ATOM 384 CA PRO A 24 4.788 -11.301 -0.990 1.00 0.00 C ATOM 385 C PRO A 24 4.411 -9.850 -0.684 1.00 0.00 C ATOM 386 O PRO A 24 4.102 -9.080 -1.592 1.00 0.00 O ATOM 387 CB PRO A 24 6.282 -11.501 -1.177 1.00 0.00 C ATOM 388 CG PRO A 24 6.503 -11.605 -2.678 1.00 0.00 C ATOM 389 CD PRO A 24 5.150 -11.820 -3.335 1.00 0.00 C ATOM 0 HA PRO A 24 4.430 -11.866 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.844 -10.667 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.622 -12.403 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.972 -10.698 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.175 -12.432 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.951 -11.060 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.102 -12.787 -3.836 1.00 0.00 H new ATOM 397 N HIS A 25 4.450 -9.521 0.599 1.00 0.00 N ATOM 398 CA HIS A 25 4.118 -8.176 1.037 1.00 0.00 C ATOM 399 C HIS A 25 4.723 -7.157 0.069 1.00 0.00 C ATOM 400 O HIS A 25 5.944 -7.064 -0.056 1.00 0.00 O ATOM 401 CB HIS A 25 4.555 -7.952 2.485 1.00 0.00 C ATOM 402 CG HIS A 25 3.419 -7.638 3.429 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.793 -6.404 3.466 1.00 0.00 N ATOM 404 CD2 HIS A 25 2.801 -8.411 4.367 1.00 0.00 C ATOM 405 CE1 HIS A 25 1.845 -6.443 4.390 1.00 0.00 C ATOM 406 NE2 HIS A 25 1.850 -7.688 4.948 1.00 0.00 N ATOM 0 H HIS A 25 4.706 -10.163 1.349 1.00 0.00 H new ATOM 0 HA HIS A 25 3.036 -8.041 1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.072 -8.844 2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.274 -7.134 2.514 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.023 -5.601 2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.044 -9.438 4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.184 -5.631 4.655 1.00 0.00 H new ATOM 414 N TRP A 26 3.842 -6.417 -0.589 1.00 0.00 N ATOM 415 CA TRP A 26 4.276 -5.409 -1.542 1.00 0.00 C ATOM 416 C TRP A 26 3.753 -4.052 -1.063 1.00 0.00 C ATOM 417 O TRP A 26 2.793 -3.988 -0.298 1.00 0.00 O ATOM 418 CB TRP A 26 3.819 -5.761 -2.959 1.00 0.00 C ATOM 419 CG TRP A 26 4.958 -5.848 -3.977 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.112 -5.142 -5.106 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.105 -6.721 -3.910 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.267 -5.496 -5.770 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.891 -6.488 -5.020 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.466 -7.678 -2.946 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.088 -7.171 -5.269 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.664 -8.353 -3.210 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.467 -8.129 -4.323 1.00 0.00 C ATOM 0 H TRP A 26 2.831 -6.495 -0.481 1.00 0.00 H new ATOM 0 HA TRP A 26 5.364 -5.366 -1.591 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.294 -6.716 -2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.102 -5.012 -3.295 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.418 -4.390 -5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.602 -5.103 -6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.866 -7.877 -2.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.687 -6.969 -6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.987 -9.100 -2.500 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.379 -8.692 -4.456 1.00 0.00 H new ATOM 438 N PRO A 27 4.425 -2.975 -1.548 1.00 0.00 N ATOM 439 CA PRO A 27 4.039 -1.623 -1.179 1.00 0.00 C ATOM 440 C PRO A 27 2.764 -1.199 -1.909 1.00 0.00 C ATOM 441 O PRO A 27 2.787 -0.942 -3.112 1.00 0.00 O ATOM 442 CB PRO A 27 5.240 -0.760 -1.533 1.00 0.00 C ATOM 443 CG PRO A 27 6.070 -1.579 -2.509 1.00 0.00 C ATOM 444 CD PRO A 27 5.568 -3.013 -2.458 1.00 0.00 C ATOM 0 HA PRO A 27 3.796 -1.529 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.925 0.182 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.818 -0.511 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.978 -1.178 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.126 -1.534 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.275 -3.365 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.341 -3.690 -2.095 1.00 0.00 H new ATOM 452 N ALA A 28 1.678 -1.141 -1.152 1.00 0.00 N ATOM 453 CA ALA A 28 0.394 -0.753 -1.712 1.00 0.00 C ATOM 454 C ALA A 28 -0.161 0.438 -0.927 1.00 0.00 C ATOM 455 O ALA A 28 0.202 0.646 0.230 1.00 0.00 O ATOM 456 CB ALA A 28 -0.555 -1.954 -1.698 1.00 0.00 C ATOM 0 H ALA A 28 1.661 -1.356 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 28 0.507 -0.440 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.518 -1.662 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.129 -2.761 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.695 -2.295 -0.672 1.00 0.00 H new ATOM 462 N ARG A 29 -1.030 1.188 -1.589 1.00 0.00 N ATOM 463 CA ARG A 29 -1.638 2.352 -0.968 1.00 0.00 C ATOM 464 C ARG A 29 -3.109 2.077 -0.650 1.00 0.00 C ATOM 465 O ARG A 29 -3.773 1.331 -1.367 1.00 0.00 O ATOM 466 CB ARG A 29 -1.541 3.577 -1.880 1.00 0.00 C ATOM 467 CG ARG A 29 -2.404 3.400 -3.129 1.00 0.00 C ATOM 468 CD ARG A 29 -2.758 4.753 -3.750 1.00 0.00 C ATOM 469 NE ARG A 29 -3.963 5.309 -3.096 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.931 6.186 -2.083 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.756 6.611 -1.601 1.00 0.00 N ATOM 472 NH2 ARG A 29 -5.077 6.638 -1.552 1.00 0.00 N ATOM 0 H ARG A 29 -1.327 1.012 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.095 2.556 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.860 4.466 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.503 3.737 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.872 2.789 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.318 2.865 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.922 5.444 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.935 4.637 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.875 5.006 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.885 6.267 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.732 7.278 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.972 6.314 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.054 7.305 -0.781 1.00 0.00 H new ATOM 486 N ILE A 30 -3.575 2.695 0.425 1.00 0.00 N ATOM 487 CA ILE A 30 -4.956 2.526 0.848 1.00 0.00 C ATOM 488 C ILE A 30 -5.876 3.249 -0.137 1.00 0.00 C ATOM 489 O ILE A 30 -5.526 4.306 -0.659 1.00 0.00 O ATOM 490 CB ILE A 30 -5.132 2.975 2.298 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.840 1.900 3.124 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.853 4.323 2.372 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.282 1.704 2.646 1.00 0.00 C ATOM 0 H ILE A 30 -3.021 3.314 1.017 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.234 1.472 0.831 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.143 3.115 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.296 0.959 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.837 2.184 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.965 4.619 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.271 5.077 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.837 4.235 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.764 0.935 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.830 2.641 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.280 1.397 1.600 1.00 0.00 H new ATOM 505 N ASP A 31 -7.038 2.651 -0.360 1.00 0.00 N ATOM 506 CA ASP A 31 -8.013 3.224 -1.272 1.00 0.00 C ATOM 507 C ASP A 31 -9.419 2.807 -0.838 1.00 0.00 C ATOM 508 O ASP A 31 -9.615 1.699 -0.341 1.00 0.00 O ATOM 509 CB ASP A 31 -7.791 2.726 -2.701 1.00 0.00 C ATOM 510 CG ASP A 31 -6.752 3.509 -3.505 1.00 0.00 C ATOM 511 OD1 ASP A 31 -7.072 4.657 -3.881 1.00 0.00 O ATOM 512 OD2 ASP A 31 -5.660 2.942 -3.726 1.00 0.00 O ATOM 0 H ASP A 31 -7.326 1.775 0.076 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.900 4.308 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.485 1.680 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.742 2.760 -3.233 1.00 0.00 H new ATOM 517 N GLU A 32 -10.362 3.715 -1.043 1.00 0.00 N ATOM 518 CA GLU A 32 -11.744 3.455 -0.678 1.00 0.00 C ATOM 519 C GLU A 32 -12.489 2.812 -1.850 1.00 0.00 C ATOM 520 O GLU A 32 -12.048 2.902 -2.995 1.00 0.00 O ATOM 521 CB GLU A 32 -12.443 4.737 -0.221 1.00 0.00 C ATOM 522 CG GLU A 32 -12.678 5.683 -1.400 1.00 0.00 C ATOM 523 CD GLU A 32 -12.843 7.127 -0.920 1.00 0.00 C ATOM 524 OE1 GLU A 32 -13.997 7.495 -0.614 1.00 0.00 O ATOM 525 OE2 GLU A 32 -11.810 7.830 -0.869 1.00 0.00 O ATOM 0 H GLU A 32 -10.196 4.632 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.753 2.759 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.396 4.489 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.837 5.236 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.840 5.620 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.569 5.374 -1.947 1.00 0.00 H new ATOM 532 N MET A 33 -13.606 2.178 -1.523 1.00 0.00 N ATOM 533 CA MET A 33 -14.417 1.521 -2.534 1.00 0.00 C ATOM 534 C MET A 33 -15.344 2.522 -3.229 1.00 0.00 C ATOM 535 O MET A 33 -16.163 3.168 -2.578 1.00 0.00 O ATOM 536 CB MET A 33 -15.252 0.419 -1.882 1.00 0.00 C ATOM 537 CG MET A 33 -15.959 0.936 -0.627 1.00 0.00 C ATOM 538 SD MET A 33 -17.463 0.017 -0.350 1.00 0.00 S ATOM 539 CE MET A 33 -18.130 0.923 1.035 1.00 0.00 C ATOM 0 H MET A 33 -13.968 2.105 -0.572 1.00 0.00 H new ATOM 0 HA MET A 33 -13.752 1.090 -3.283 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.990 0.049 -2.593 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.610 -0.423 -1.621 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.301 0.840 0.236 1.00 0.00 H new ATOM 0 HG3 MET A 33 -16.186 1.996 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 33 -19.078 0.478 1.338 1.00 0.00 H new ATOM 0 HE2 MET A 33 -17.428 0.884 1.868 1.00 0.00 H new ATOM 0 HE3 MET A 33 -18.293 1.961 0.746 1.00 0.00 H new ATOM 549 N PRO A 34 -15.179 2.620 -4.575 1.00 0.00 N ATOM 550 CA PRO A 34 -15.992 3.529 -5.364 1.00 0.00 C ATOM 551 C PRO A 34 -17.410 2.983 -5.542 1.00 0.00 C ATOM 552 O PRO A 34 -17.630 1.776 -5.455 1.00 0.00 O ATOM 553 CB PRO A 34 -15.245 3.683 -6.679 1.00 0.00 C ATOM 554 CG PRO A 34 -14.291 2.502 -6.758 1.00 0.00 C ATOM 555 CD PRO A 34 -14.218 1.869 -5.378 1.00 0.00 C ATOM 0 HA PRO A 34 -16.128 4.497 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.935 3.684 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.701 4.627 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.641 1.777 -7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.303 2.830 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.474 0.810 -5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.213 1.940 -4.962 1.00 0.00 H new ATOM 563 N GLU A 35 -18.335 3.900 -5.790 1.00 0.00 N ATOM 564 CA GLU A 35 -19.725 3.525 -5.982 1.00 0.00 C ATOM 565 C GLU A 35 -20.213 3.980 -7.359 1.00 0.00 C ATOM 566 O GLU A 35 -21.408 4.198 -7.559 1.00 0.00 O ATOM 567 CB GLU A 35 -20.607 4.101 -4.871 1.00 0.00 C ATOM 568 CG GLU A 35 -20.671 5.627 -4.959 1.00 0.00 C ATOM 569 CD GLU A 35 -21.767 6.183 -4.046 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.891 5.642 -4.115 1.00 0.00 O ATOM 571 OE2 GLU A 35 -21.454 7.136 -3.301 1.00 0.00 O ATOM 0 H GLU A 35 -18.149 4.900 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.797 2.439 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.612 3.686 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.213 3.805 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.708 6.052 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.863 5.928 -5.989 1.00 0.00 H new ATOM 578 N ALA A 36 -19.264 4.109 -8.274 1.00 0.00 N ATOM 579 CA ALA A 36 -19.580 4.534 -9.626 1.00 0.00 C ATOM 580 C ALA A 36 -19.410 3.350 -10.582 1.00 0.00 C ATOM 581 O ALA A 36 -20.391 2.731 -10.992 1.00 0.00 O ATOM 582 CB ALA A 36 -18.697 5.723 -10.009 1.00 0.00 C ATOM 0 H ALA A 36 -18.275 3.926 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.617 4.864 -9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.935 6.041 -11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.877 6.547 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.649 5.429 -9.957 1.00 0.00 H new ATOM 588 N ALA A 37 -18.156 3.070 -10.908 1.00 0.00 N ATOM 589 CA ALA A 37 -17.844 1.972 -11.806 1.00 0.00 C ATOM 590 C ALA A 37 -18.511 0.694 -11.294 1.00 0.00 C ATOM 591 O ALA A 37 -18.885 -0.174 -12.079 1.00 0.00 O ATOM 592 CB ALA A 37 -16.326 1.829 -11.930 1.00 0.00 C ATOM 0 H ALA A 37 -17.345 3.585 -10.566 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.235 2.170 -12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.092 1.005 -12.604 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.905 2.753 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.898 1.627 -10.948 1.00 0.00 H new ATOM 598 N VAL A 38 -18.639 0.619 -9.976 1.00 0.00 N ATOM 599 CA VAL A 38 -19.254 -0.540 -9.349 1.00 0.00 C ATOM 600 C VAL A 38 -20.073 -0.083 -8.140 1.00 0.00 C ATOM 601 O VAL A 38 -20.090 1.101 -7.807 1.00 0.00 O ATOM 602 CB VAL A 38 -18.182 -1.571 -8.991 1.00 0.00 C ATOM 603 CG1 VAL A 38 -17.423 -2.029 -10.238 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.220 -1.018 -7.936 1.00 0.00 C ATOM 0 H VAL A 38 -18.328 1.341 -9.326 1.00 0.00 H new ATOM 0 HA VAL A 38 -19.939 -1.031 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.683 -2.441 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.667 -2.762 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.121 -2.481 -10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.940 -1.171 -10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.468 -1.771 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.730 -0.125 -8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.776 -0.765 -7.034 1.00 0.00 H new ATOM 614 N LYS A 39 -20.734 -1.047 -7.517 1.00 0.00 N ATOM 615 CA LYS A 39 -21.553 -0.760 -6.350 1.00 0.00 C ATOM 616 C LYS A 39 -20.646 -0.511 -5.144 1.00 0.00 C ATOM 617 O LYS A 39 -19.532 -0.014 -5.292 1.00 0.00 O ATOM 618 CB LYS A 39 -22.579 -1.873 -6.129 1.00 0.00 C ATOM 619 CG LYS A 39 -21.945 -3.070 -5.417 1.00 0.00 C ATOM 620 CD LYS A 39 -22.258 -4.374 -6.152 1.00 0.00 C ATOM 621 CE LYS A 39 -20.974 -5.133 -6.491 1.00 0.00 C ATOM 622 NZ LYS A 39 -21.265 -6.568 -6.710 1.00 0.00 N ATOM 0 H LYS A 39 -20.720 -2.028 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.133 0.150 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.412 -1.493 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -22.988 -2.191 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.865 -2.932 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.316 -3.127 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -22.902 -4.999 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -22.809 -4.157 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.518 -4.707 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -20.253 -5.021 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.383 -7.070 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.680 -6.974 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.936 -6.670 -7.498 1.00 0.00 H new ATOM 636 N SER A 40 -21.160 -0.867 -3.976 1.00 0.00 N ATOM 637 CA SER A 40 -20.410 -0.689 -2.744 1.00 0.00 C ATOM 638 C SER A 40 -20.716 -1.832 -1.774 1.00 0.00 C ATOM 639 O SER A 40 -21.879 -2.155 -1.535 1.00 0.00 O ATOM 640 CB SER A 40 -20.732 0.658 -2.092 1.00 0.00 C ATOM 641 OG SER A 40 -22.133 0.843 -1.914 1.00 0.00 O ATOM 0 H SER A 40 -22.086 -1.278 -3.857 1.00 0.00 H new ATOM 0 HA SER A 40 -19.348 -0.701 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.232 0.722 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.335 1.464 -2.710 1.00 0.00 H new ATOM 0 HG SER A 40 -22.297 1.713 -1.494 1.00 0.00 H new ATOM 647 N THR A 41 -19.652 -2.416 -1.243 1.00 0.00 N ATOM 648 CA THR A 41 -19.792 -3.518 -0.306 1.00 0.00 C ATOM 649 C THR A 41 -19.223 -3.130 1.061 1.00 0.00 C ATOM 650 O THR A 41 -18.532 -2.120 1.186 1.00 0.00 O ATOM 651 CB THR A 41 -19.117 -4.748 -0.918 1.00 0.00 C ATOM 652 OG1 THR A 41 -19.711 -4.863 -2.207 1.00 0.00 O ATOM 653 CG2 THR A 41 -19.511 -6.045 -0.207 1.00 0.00 C ATOM 0 H THR A 41 -18.689 -2.147 -1.444 1.00 0.00 H new ATOM 0 HA THR A 41 -20.841 -3.758 -0.131 1.00 0.00 H new ATOM 0 HB THR A 41 -18.034 -4.627 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 41 -19.330 -5.635 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.005 -6.887 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.219 -5.988 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 41 -20.590 -6.185 -0.276 1.00 0.00 H new ATOM 661 N ALA A 42 -19.535 -3.953 2.051 1.00 0.00 N ATOM 662 CA ALA A 42 -19.066 -3.708 3.403 1.00 0.00 C ATOM 663 C ALA A 42 -17.924 -4.674 3.725 1.00 0.00 C ATOM 664 O ALA A 42 -17.565 -5.514 2.900 1.00 0.00 O ATOM 665 CB ALA A 42 -20.234 -3.843 4.383 1.00 0.00 C ATOM 0 H ALA A 42 -20.107 -4.790 1.943 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.678 -2.694 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.881 -3.659 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.007 -3.117 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.647 -4.850 4.320 1.00 0.00 H new ATOM 671 N ASN A 43 -17.382 -4.523 4.924 1.00 0.00 N ATOM 672 CA ASN A 43 -16.288 -5.372 5.363 1.00 0.00 C ATOM 673 C ASN A 43 -15.337 -5.621 4.191 1.00 0.00 C ATOM 674 O ASN A 43 -15.081 -6.768 3.826 1.00 0.00 O ATOM 675 CB ASN A 43 -16.803 -6.728 5.851 1.00 0.00 C ATOM 676 CG ASN A 43 -17.856 -7.290 4.892 1.00 0.00 C ATOM 677 OD1 ASN A 43 -19.050 -7.237 5.141 1.00 0.00 O ATOM 678 ND2 ASN A 43 -17.350 -7.831 3.788 1.00 0.00 N ATOM 0 H ASN A 43 -17.680 -3.825 5.605 1.00 0.00 H new ATOM 0 HA ASN A 43 -15.777 -4.865 6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.972 -7.428 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.233 -6.621 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -17.971 -8.235 3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -16.341 -7.842 3.642 1.00 0.00 H new ATOM 685 N LYS A 44 -14.842 -4.527 3.630 1.00 0.00 N ATOM 686 CA LYS A 44 -13.926 -4.613 2.505 1.00 0.00 C ATOM 687 C LYS A 44 -13.361 -3.223 2.207 1.00 0.00 C ATOM 688 O LYS A 44 -14.093 -2.233 2.228 1.00 0.00 O ATOM 689 CB LYS A 44 -14.611 -5.269 1.305 1.00 0.00 C ATOM 690 CG LYS A 44 -15.665 -4.340 0.699 1.00 0.00 C ATOM 691 CD LYS A 44 -15.378 -4.079 -0.782 1.00 0.00 C ATOM 692 CE LYS A 44 -14.104 -3.249 -0.955 1.00 0.00 C ATOM 693 NZ LYS A 44 -12.918 -4.132 -1.026 1.00 0.00 N ATOM 0 H LYS A 44 -15.058 -3.577 3.933 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.081 -5.256 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.866 -5.521 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.080 -6.203 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.654 -4.785 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.679 -3.395 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.273 -5.028 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.221 -3.556 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.174 -2.649 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.999 -2.555 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.157 -3.650 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.593 -4.355 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.170 -5.013 -1.519 1.00 0.00 H new ATOM 707 N TYR A 45 -12.065 -3.191 1.934 1.00 0.00 N ATOM 708 CA TYR A 45 -11.394 -1.938 1.631 1.00 0.00 C ATOM 709 C TYR A 45 -10.588 -2.048 0.335 1.00 0.00 C ATOM 710 O TYR A 45 -10.092 -3.121 -0.002 1.00 0.00 O ATOM 711 CB TYR A 45 -10.435 -1.681 2.795 1.00 0.00 C ATOM 712 CG TYR A 45 -10.708 -0.380 3.552 1.00 0.00 C ATOM 713 CD1 TYR A 45 -12.002 0.079 3.691 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.661 0.335 4.094 1.00 0.00 C ATOM 715 CE1 TYR A 45 -12.260 1.304 4.402 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.917 1.561 4.806 1.00 0.00 C ATOM 717 CZ TYR A 45 -11.205 1.984 4.925 1.00 0.00 C ATOM 718 OH TYR A 45 -11.448 3.141 5.597 1.00 0.00 O ATOM 0 H TYR A 45 -11.461 -4.013 1.916 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.119 -1.135 1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.497 -2.515 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.414 -1.660 2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.822 -0.481 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.648 -0.024 3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.268 1.674 4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.106 2.131 5.235 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.602 3.518 5.916 1.00 0.00 H new ATOM 728 N GLN A 46 -10.482 -0.921 -0.354 1.00 0.00 N ATOM 729 CA GLN A 46 -9.744 -0.877 -1.606 1.00 0.00 C ATOM 730 C GLN A 46 -8.248 -0.713 -1.334 1.00 0.00 C ATOM 731 O GLN A 46 -7.851 0.103 -0.504 1.00 0.00 O ATOM 732 CB GLN A 46 -10.264 0.243 -2.509 1.00 0.00 C ATOM 733 CG GLN A 46 -11.059 -0.327 -3.686 1.00 0.00 C ATOM 734 CD GLN A 46 -10.283 -0.176 -4.996 1.00 0.00 C ATOM 735 OE1 GLN A 46 -10.134 -1.106 -5.771 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.795 1.045 -5.198 1.00 0.00 N ATOM 0 H GLN A 46 -10.894 -0.032 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.896 -1.821 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.896 0.917 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.427 0.833 -2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.276 -1.380 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.017 0.187 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.956 1.779 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.260 1.247 -6.042 1.00 0.00 H new ATOM 745 N VAL A 47 -7.458 -1.501 -2.049 1.00 0.00 N ATOM 746 CA VAL A 47 -6.015 -1.452 -1.897 1.00 0.00 C ATOM 747 C VAL A 47 -5.357 -1.491 -3.277 1.00 0.00 C ATOM 748 O VAL A 47 -5.623 -2.393 -4.069 1.00 0.00 O ATOM 749 CB VAL A 47 -5.547 -2.585 -0.980 1.00 0.00 C ATOM 750 CG1 VAL A 47 -4.065 -2.894 -1.201 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.825 -2.254 0.487 1.00 0.00 C ATOM 0 H VAL A 47 -7.791 -2.178 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.714 -0.519 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.117 -3.478 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.759 -3.702 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.907 -3.195 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.472 -2.005 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.483 -3.075 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.295 -1.342 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.896 -2.109 0.631 1.00 0.00 H new ATOM 761 N PHE A 48 -4.512 -0.500 -3.523 1.00 0.00 N ATOM 762 CA PHE A 48 -3.816 -0.411 -4.795 1.00 0.00 C ATOM 763 C PHE A 48 -2.345 -0.805 -4.643 1.00 0.00 C ATOM 764 O PHE A 48 -1.672 -0.360 -3.715 1.00 0.00 O ATOM 765 CB PHE A 48 -3.895 1.050 -5.245 1.00 0.00 C ATOM 766 CG PHE A 48 -3.330 1.300 -6.645 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.422 0.336 -7.599 1.00 0.00 C ATOM 768 CD2 PHE A 48 -2.735 2.489 -6.935 1.00 0.00 C ATOM 769 CE1 PHE A 48 -2.899 0.569 -8.898 1.00 0.00 C ATOM 770 CE2 PHE A 48 -2.210 2.722 -8.234 1.00 0.00 C ATOM 771 CZ PHE A 48 -2.303 1.757 -9.188 1.00 0.00 C ATOM 0 H PHE A 48 -4.294 0.247 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.273 -1.086 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.936 1.371 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.354 1.670 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.893 -0.608 -7.368 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.662 3.255 -6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.974 -0.197 -9.656 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.737 3.665 -8.464 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.904 1.934 -10.176 1.00 0.00 H new ATOM 781 N PHE A 49 -1.890 -1.636 -5.570 1.00 0.00 N ATOM 782 CA PHE A 49 -0.512 -2.094 -5.551 1.00 0.00 C ATOM 783 C PHE A 49 0.354 -1.271 -6.508 1.00 0.00 C ATOM 784 O PHE A 49 0.025 -1.136 -7.685 1.00 0.00 O ATOM 785 CB PHE A 49 -0.520 -3.553 -6.015 1.00 0.00 C ATOM 786 CG PHE A 49 -0.760 -4.562 -4.890 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.750 -4.348 -3.984 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.019 -5.674 -4.798 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.973 -5.285 -2.940 1.00 0.00 C ATOM 790 CE2 PHE A 49 -0.204 -6.611 -3.753 1.00 0.00 C ATOM 791 CZ PHE A 49 -1.195 -6.397 -2.847 1.00 0.00 C ATOM 0 H PHE A 49 -2.451 -2.003 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.098 -1.988 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.293 -3.678 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.434 -3.777 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.368 -3.465 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.806 -5.844 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.760 -5.115 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.414 -7.494 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.364 -7.110 -2.054 1.00 0.00 H new ATOM 801 N PHE A 50 1.442 -0.746 -5.966 1.00 0.00 N ATOM 802 CA PHE A 50 2.357 0.060 -6.759 1.00 0.00 C ATOM 803 C PHE A 50 3.258 -0.825 -7.623 1.00 0.00 C ATOM 804 O PHE A 50 3.243 -0.721 -8.849 1.00 0.00 O ATOM 805 CB PHE A 50 3.226 0.846 -5.776 1.00 0.00 C ATOM 806 CG PHE A 50 2.653 2.212 -5.392 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.548 3.191 -6.329 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.247 2.446 -4.115 1.00 0.00 C ATOM 809 CE1 PHE A 50 2.016 4.460 -5.975 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.715 3.714 -3.761 1.00 0.00 C ATOM 811 CZ PHE A 50 1.610 4.694 -4.698 1.00 0.00 C ATOM 0 H PHE A 50 1.711 -0.862 -4.989 1.00 0.00 H new ATOM 0 HA PHE A 50 1.795 0.718 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.361 0.253 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.214 0.988 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.869 3.004 -7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.329 1.668 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.934 5.238 -6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.394 3.900 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.204 5.658 -4.428 1.00 0.00 H new ATOM 821 N GLY A 51 4.021 -1.674 -6.951 1.00 0.00 N ATOM 822 CA GLY A 51 4.926 -2.575 -7.642 1.00 0.00 C ATOM 823 C GLY A 51 4.279 -3.139 -8.908 1.00 0.00 C ATOM 824 O GLY A 51 4.831 -3.016 -10.001 1.00 0.00 O ATOM 0 H GLY A 51 4.031 -1.757 -5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.843 -2.046 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.208 -3.392 -6.978 1.00 0.00 H new ATOM 828 N THR A 52 3.117 -3.745 -8.721 1.00 0.00 N ATOM 829 CA THR A 52 2.387 -4.326 -9.835 1.00 0.00 C ATOM 830 C THR A 52 1.622 -3.242 -10.597 1.00 0.00 C ATOM 831 O THR A 52 1.434 -3.346 -11.809 1.00 0.00 O ATOM 832 CB THR A 52 1.485 -5.433 -9.283 1.00 0.00 C ATOM 833 OG1 THR A 52 0.551 -4.740 -8.459 1.00 0.00 O ATOM 834 CG2 THR A 52 2.220 -6.359 -8.314 1.00 0.00 C ATOM 0 H THR A 52 2.662 -3.847 -7.814 1.00 0.00 H new ATOM 0 HA THR A 52 3.066 -4.771 -10.563 1.00 0.00 H new ATOM 0 HB THR A 52 1.082 -6.019 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.074 -5.382 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.534 -7.125 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.056 -6.833 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.594 -5.780 -7.470 1.00 0.00 H new ATOM 842 N HIS A 53 1.203 -2.228 -9.856 1.00 0.00 N ATOM 843 CA HIS A 53 0.462 -1.125 -10.446 1.00 0.00 C ATOM 844 C HIS A 53 -0.958 -1.583 -10.784 1.00 0.00 C ATOM 845 O HIS A 53 -1.501 -1.216 -11.824 1.00 0.00 O ATOM 846 CB HIS A 53 1.207 -0.559 -11.658 1.00 0.00 C ATOM 847 CG HIS A 53 0.754 0.822 -12.066 1.00 0.00 C ATOM 848 ND1 HIS A 53 0.591 1.198 -13.387 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.430 1.913 -11.313 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.188 2.460 -13.418 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.090 2.901 -12.131 1.00 0.00 N ATOM 0 H HIS A 53 1.362 -2.146 -8.852 1.00 0.00 H new ATOM 0 HA HIS A 53 0.381 -0.310 -9.727 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.274 -0.529 -11.435 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.076 -1.237 -12.501 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.447 1.964 -10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.025 3.037 -14.305 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.197 3.837 -11.844 1.00 0.00 H new ATOM 859 N GLU A 54 -1.518 -2.378 -9.884 1.00 0.00 N ATOM 860 CA GLU A 54 -2.865 -2.891 -10.075 1.00 0.00 C ATOM 861 C GLU A 54 -3.682 -2.723 -8.792 1.00 0.00 C ATOM 862 O GLU A 54 -3.146 -2.839 -7.690 1.00 0.00 O ATOM 863 CB GLU A 54 -2.837 -4.354 -10.520 1.00 0.00 C ATOM 864 CG GLU A 54 -2.399 -4.474 -11.980 1.00 0.00 C ATOM 865 CD GLU A 54 -3.556 -4.946 -12.864 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.016 -6.085 -12.635 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.953 -4.158 -13.747 1.00 0.00 O ATOM 0 H GLU A 54 -1.065 -2.679 -9.021 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.344 -2.315 -10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.155 -4.918 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.826 -4.795 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.036 -3.509 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.568 -5.175 -12.057 1.00 0.00 H new ATOM 874 N THR A 55 -4.966 -2.454 -8.977 1.00 0.00 N ATOM 875 CA THR A 55 -5.862 -2.269 -7.848 1.00 0.00 C ATOM 876 C THR A 55 -6.557 -3.586 -7.498 1.00 0.00 C ATOM 877 O THR A 55 -7.243 -4.172 -8.335 1.00 0.00 O ATOM 878 CB THR A 55 -6.836 -1.142 -8.196 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.226 0.025 -7.649 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.162 -1.259 -7.441 1.00 0.00 C ATOM 0 H THR A 55 -5.407 -2.360 -9.892 1.00 0.00 H new ATOM 0 HA THR A 55 -5.314 -1.978 -6.952 1.00 0.00 H new ATOM 0 HB THR A 55 -7.028 -1.147 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.357 0.171 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.816 -0.435 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.641 -2.205 -7.692 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.974 -1.220 -6.368 1.00 0.00 H new ATOM 888 N ALA A 56 -6.357 -4.014 -6.260 1.00 0.00 N ATOM 889 CA ALA A 56 -6.956 -5.251 -5.789 1.00 0.00 C ATOM 890 C ALA A 56 -7.698 -4.987 -4.477 1.00 0.00 C ATOM 891 O ALA A 56 -7.348 -4.067 -3.737 1.00 0.00 O ATOM 892 CB ALA A 56 -5.872 -6.320 -5.641 1.00 0.00 C ATOM 0 H ALA A 56 -5.788 -3.526 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.684 -5.623 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.322 -7.248 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.396 -6.492 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.124 -5.983 -4.923 1.00 0.00 H new ATOM 898 N PHE A 57 -8.706 -5.808 -4.227 1.00 0.00 N ATOM 899 CA PHE A 57 -9.499 -5.675 -3.018 1.00 0.00 C ATOM 900 C PHE A 57 -8.868 -6.451 -1.859 1.00 0.00 C ATOM 901 O PHE A 57 -8.651 -7.658 -1.962 1.00 0.00 O ATOM 902 CB PHE A 57 -10.878 -6.265 -3.320 1.00 0.00 C ATOM 903 CG PHE A 57 -11.078 -7.685 -2.784 1.00 0.00 C ATOM 904 CD1 PHE A 57 -11.198 -7.896 -1.447 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.138 -8.735 -3.646 1.00 0.00 C ATOM 906 CE1 PHE A 57 -11.384 -9.212 -0.950 1.00 0.00 C ATOM 907 CE2 PHE A 57 -11.324 -10.051 -3.149 1.00 0.00 C ATOM 908 CZ PHE A 57 -11.443 -10.262 -1.811 1.00 0.00 C ATOM 0 H PHE A 57 -8.992 -6.569 -4.842 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.560 -4.626 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.642 -5.615 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.032 -6.270 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.152 -7.062 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.044 -8.567 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.479 -9.379 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.371 -10.885 -3.833 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.584 -11.264 -1.433 1.00 0.00 H new ATOM 918 N LEU A 58 -8.591 -5.726 -0.786 1.00 0.00 N ATOM 919 CA LEU A 58 -7.988 -6.332 0.390 1.00 0.00 C ATOM 920 C LEU A 58 -8.612 -5.726 1.647 1.00 0.00 C ATOM 921 O LEU A 58 -9.454 -4.832 1.558 1.00 0.00 O ATOM 922 CB LEU A 58 -6.465 -6.204 0.337 1.00 0.00 C ATOM 923 CG LEU A 58 -5.778 -6.862 -0.863 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.288 -6.517 -0.898 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.015 -8.373 -0.872 1.00 0.00 C ATOM 0 H LEU A 58 -8.772 -4.726 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.194 -7.402 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.209 -5.145 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.052 -6.636 1.249 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.224 -6.461 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.824 -6.997 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.166 -5.437 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.811 -6.872 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.516 -8.814 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.613 -8.810 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.085 -8.573 -0.930 1.00 0.00 H new ATOM 937 N GLY A 59 -8.176 -6.234 2.790 1.00 0.00 N ATOM 938 CA GLY A 59 -8.683 -5.752 4.064 1.00 0.00 C ATOM 939 C GLY A 59 -7.551 -5.187 4.926 1.00 0.00 C ATOM 940 O GLY A 59 -6.482 -4.856 4.415 1.00 0.00 O ATOM 0 H GLY A 59 -7.478 -6.974 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.434 -4.981 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.177 -6.566 4.594 1.00 0.00 H new ATOM 944 N PRO A 60 -7.831 -5.092 6.253 1.00 0.00 N ATOM 945 CA PRO A 60 -6.850 -4.573 7.190 1.00 0.00 C ATOM 946 C PRO A 60 -5.753 -5.604 7.462 1.00 0.00 C ATOM 947 O PRO A 60 -4.591 -5.244 7.653 1.00 0.00 O ATOM 948 CB PRO A 60 -7.647 -4.213 8.434 1.00 0.00 C ATOM 949 CG PRO A 60 -8.959 -4.969 8.323 1.00 0.00 C ATOM 950 CD PRO A 60 -9.087 -5.475 6.894 1.00 0.00 C ATOM 0 HA PRO A 60 -6.321 -3.701 6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.108 -4.497 9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.819 -3.138 8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.980 -5.802 9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.797 -4.318 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.232 -6.555 6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.943 -5.026 6.390 1.00 0.00 H new ATOM 958 N LYS A 61 -6.157 -6.865 7.469 1.00 0.00 N ATOM 959 CA LYS A 61 -5.224 -7.950 7.713 1.00 0.00 C ATOM 960 C LYS A 61 -4.188 -7.990 6.586 1.00 0.00 C ATOM 961 O LYS A 61 -2.999 -8.171 6.838 1.00 0.00 O ATOM 962 CB LYS A 61 -5.972 -9.270 7.907 1.00 0.00 C ATOM 963 CG LYS A 61 -4.995 -10.437 8.061 1.00 0.00 C ATOM 964 CD LYS A 61 -5.606 -11.735 7.529 1.00 0.00 C ATOM 965 CE LYS A 61 -6.490 -12.400 8.585 1.00 0.00 C ATOM 966 NZ LYS A 61 -7.823 -12.713 8.022 1.00 0.00 N ATOM 0 H LYS A 61 -7.120 -7.160 7.309 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.680 -7.781 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.608 -9.205 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.627 -9.450 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.073 -10.218 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.730 -10.559 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.196 -11.524 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.812 -12.420 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.016 -13.314 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.598 -11.740 9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.411 -13.164 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.280 -11.835 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.716 -13.360 7.215 1.00 0.00 H new ATOM 980 N ASP A 62 -4.681 -7.818 5.368 1.00 0.00 N ATOM 981 CA ASP A 62 -3.814 -7.832 4.202 1.00 0.00 C ATOM 982 C ASP A 62 -2.848 -6.649 4.275 1.00 0.00 C ATOM 983 O ASP A 62 -1.784 -6.672 3.658 1.00 0.00 O ATOM 984 CB ASP A 62 -4.626 -7.699 2.911 1.00 0.00 C ATOM 985 CG ASP A 62 -5.068 -9.025 2.287 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.171 -9.763 1.827 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.294 -9.269 2.284 1.00 0.00 O ATOM 0 H ASP A 62 -5.669 -7.668 5.164 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.275 -8.779 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.512 -7.098 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.032 -7.151 2.180 1.00 0.00 H new ATOM 992 N LEU A 63 -3.251 -5.643 5.037 1.00 0.00 N ATOM 993 CA LEU A 63 -2.434 -4.453 5.200 1.00 0.00 C ATOM 994 C LEU A 63 -1.695 -4.525 6.538 1.00 0.00 C ATOM 995 O LEU A 63 -2.227 -5.049 7.516 1.00 0.00 O ATOM 996 CB LEU A 63 -3.284 -3.191 5.034 1.00 0.00 C ATOM 997 CG LEU A 63 -2.832 -2.217 3.944 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.352 -2.968 2.701 1.00 0.00 C ATOM 999 CD2 LEU A 63 -3.939 -1.212 3.614 1.00 0.00 C ATOM 0 H LEU A 63 -4.133 -5.628 5.549 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.675 -4.403 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.310 -3.493 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.299 -2.659 5.985 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.983 -1.649 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.037 -2.252 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.512 -3.610 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.165 -3.578 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.592 -0.531 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.822 -1.746 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.192 -0.643 4.508 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.483 -3.991 6.538 1.00 0.00 N ATOM 1012 CA PHE A 64 0.333 -3.989 7.741 1.00 0.00 C ATOM 1013 C PHE A 64 1.095 -2.670 7.883 1.00 0.00 C ATOM 1014 O PHE A 64 1.495 -2.069 6.888 1.00 0.00 O ATOM 1015 CB PHE A 64 1.338 -5.135 7.602 1.00 0.00 C ATOM 1016 CG PHE A 64 1.193 -6.222 8.668 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.103 -7.035 8.665 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.156 -6.377 9.616 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.031 -8.046 9.654 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.020 -7.388 10.605 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.931 -8.201 10.603 1.00 0.00 C ATOM 0 H PHE A 64 -0.046 -3.557 5.725 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.299 -4.108 8.621 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.223 -5.588 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.348 -4.727 7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.661 -6.912 7.911 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.023 -5.733 9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.897 -8.692 9.652 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.783 -7.511 11.359 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.829 -8.970 11.355 1.00 0.00 H new ATOM 1031 N PRO A 65 1.279 -2.248 9.162 1.00 0.00 N ATOM 1032 CA PRO A 65 1.987 -1.011 9.449 1.00 0.00 C ATOM 1033 C PRO A 65 3.494 -1.184 9.254 1.00 0.00 C ATOM 1034 O PRO A 65 4.004 -2.303 9.292 1.00 0.00 O ATOM 1035 CB PRO A 65 1.609 -0.664 10.879 1.00 0.00 C ATOM 1036 CG PRO A 65 1.081 -1.948 11.496 1.00 0.00 C ATOM 1037 CD PRO A 65 0.820 -2.933 10.368 1.00 0.00 C ATOM 0 HA PRO A 65 1.713 -0.202 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.472 -0.292 11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.853 0.120 10.903 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.804 -2.358 12.202 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.165 -1.755 12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.362 -3.866 10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.238 -3.186 10.301 1.00 0.00 H new ATOM 1045 N TYR A 66 4.165 -0.061 9.050 1.00 0.00 N ATOM 1046 CA TYR A 66 5.605 -0.075 8.848 1.00 0.00 C ATOM 1047 C TYR A 66 6.343 -0.204 10.183 1.00 0.00 C ATOM 1048 O TYR A 66 7.362 -0.887 10.269 1.00 0.00 O ATOM 1049 CB TYR A 66 5.954 1.274 8.213 1.00 0.00 C ATOM 1050 CG TYR A 66 7.420 1.676 8.380 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.351 1.299 7.433 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.813 2.418 9.475 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.731 1.679 7.589 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.193 2.798 9.631 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.084 2.410 8.680 1.00 0.00 C ATOM 1056 OH TYR A 66 11.388 2.769 8.827 1.00 0.00 O ATOM 0 H TYR A 66 3.739 0.865 9.020 1.00 0.00 H new ATOM 0 HA TYR A 66 5.898 -0.919 8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.716 1.236 7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.323 2.046 8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.044 0.719 6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.085 2.714 10.216 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.469 1.390 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.513 3.378 10.484 1.00 0.00 H new ATOM 0 HH TYR A 66 11.493 3.289 9.651 1.00 0.00 H new ATOM 1066 N GLU A 67 5.800 0.464 11.190 1.00 0.00 N ATOM 1067 CA GLU A 67 6.395 0.433 12.515 1.00 0.00 C ATOM 1068 C GLU A 67 6.573 -1.012 12.984 1.00 0.00 C ATOM 1069 O GLU A 67 7.661 -1.403 13.405 1.00 0.00 O ATOM 1070 CB GLU A 67 5.555 1.234 13.513 1.00 0.00 C ATOM 1071 CG GLU A 67 5.910 2.721 13.461 1.00 0.00 C ATOM 1072 CD GLU A 67 5.889 3.339 14.860 1.00 0.00 C ATOM 1073 OE1 GLU A 67 6.906 3.177 15.568 1.00 0.00 O ATOM 1074 OE2 GLU A 67 4.855 3.958 15.191 1.00 0.00 O ATOM 0 H GLU A 67 4.955 1.030 11.115 1.00 0.00 H new ATOM 0 HA GLU A 67 7.378 0.900 12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.496 1.102 13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.720 0.852 14.521 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.898 2.847 13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.203 3.245 12.817 1.00 0.00 H new ATOM 1081 N GLU A 68 5.487 -1.767 12.894 1.00 0.00 N ATOM 1082 CA GLU A 68 5.509 -3.161 13.304 1.00 0.00 C ATOM 1083 C GLU A 68 6.369 -3.983 12.342 1.00 0.00 C ATOM 1084 O GLU A 68 7.103 -4.876 12.767 1.00 0.00 O ATOM 1085 CB GLU A 68 4.091 -3.729 13.392 1.00 0.00 C ATOM 1086 CG GLU A 68 3.335 -3.130 14.580 1.00 0.00 C ATOM 1087 CD GLU A 68 3.103 -4.181 15.668 1.00 0.00 C ATOM 1088 OE1 GLU A 68 2.481 -5.213 15.337 1.00 0.00 O ATOM 1089 OE2 GLU A 68 3.552 -3.928 16.807 1.00 0.00 O ATOM 0 H GLU A 68 4.587 -1.440 12.543 1.00 0.00 H new ATOM 0 HA GLU A 68 5.952 -3.220 14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.552 -3.517 12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.135 -4.813 13.493 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.901 -2.294 14.992 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.378 -2.732 14.243 1.00 0.00 H new ATOM 1096 N SER A 69 6.252 -3.653 11.064 1.00 0.00 N ATOM 1097 CA SER A 69 7.010 -4.349 10.038 1.00 0.00 C ATOM 1098 C SER A 69 8.510 -4.206 10.307 1.00 0.00 C ATOM 1099 O SER A 69 9.238 -5.196 10.328 1.00 0.00 O ATOM 1100 CB SER A 69 6.667 -3.820 8.645 1.00 0.00 C ATOM 1101 OG SER A 69 7.442 -2.673 8.303 1.00 0.00 O ATOM 0 H SER A 69 5.643 -2.912 10.716 1.00 0.00 H new ATOM 0 HA SER A 69 6.741 -5.405 10.072 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.836 -4.605 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.608 -3.567 8.604 1.00 0.00 H new ATOM 0 HG SER A 69 7.391 -2.015 9.028 1.00 0.00 H new ATOM 1107 N LYS A 70 8.926 -2.964 10.506 1.00 0.00 N ATOM 1108 CA LYS A 70 10.325 -2.677 10.772 1.00 0.00 C ATOM 1109 C LYS A 70 10.685 -3.173 12.173 1.00 0.00 C ATOM 1110 O LYS A 70 11.861 -3.271 12.519 1.00 0.00 O ATOM 1111 CB LYS A 70 10.618 -1.192 10.551 1.00 0.00 C ATOM 1112 CG LYS A 70 10.630 -0.431 11.878 1.00 0.00 C ATOM 1113 CD LYS A 70 10.168 1.014 11.687 1.00 0.00 C ATOM 1114 CE LYS A 70 10.446 1.848 12.939 1.00 0.00 C ATOM 1115 NZ LYS A 70 9.484 1.510 14.011 1.00 0.00 N ATOM 0 H LYS A 70 8.318 -2.145 10.488 1.00 0.00 H new ATOM 0 HA LYS A 70 10.964 -3.212 10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.581 -1.078 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.865 -0.764 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.979 -0.933 12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.636 -0.442 12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.681 1.454 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.101 1.032 11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.464 1.667 13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.375 2.909 12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.981 1.469 14.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.742 2.238 14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.051 0.586 13.810 1.00 0.00 H new ATOM 1129 N GLU A 71 9.651 -3.473 12.945 1.00 0.00 N ATOM 1130 CA GLU A 71 9.842 -3.957 14.301 1.00 0.00 C ATOM 1131 C GLU A 71 10.433 -5.368 14.282 1.00 0.00 C ATOM 1132 O GLU A 71 11.354 -5.670 15.040 1.00 0.00 O ATOM 1133 CB GLU A 71 8.530 -3.923 15.087 1.00 0.00 C ATOM 1134 CG GLU A 71 8.792 -3.961 16.594 1.00 0.00 C ATOM 1135 CD GLU A 71 9.032 -2.554 17.144 1.00 0.00 C ATOM 1136 OE1 GLU A 71 9.688 -1.767 16.427 1.00 0.00 O ATOM 1137 OE2 GLU A 71 8.554 -2.295 18.270 1.00 0.00 O ATOM 0 H GLU A 71 8.676 -3.390 12.656 1.00 0.00 H new ATOM 0 HA GLU A 71 10.546 -3.295 14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.974 -3.021 14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.909 -4.772 14.801 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.942 -4.414 17.103 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.659 -4.589 16.800 1.00 0.00 H new ATOM 1144 N LYS A 72 9.880 -6.197 13.409 1.00 0.00 N ATOM 1145 CA LYS A 72 10.340 -7.568 13.282 1.00 0.00 C ATOM 1146 C LYS A 72 11.141 -7.715 11.987 1.00 0.00 C ATOM 1147 O LYS A 72 12.353 -7.925 12.022 1.00 0.00 O ATOM 1148 CB LYS A 72 9.165 -8.540 13.391 1.00 0.00 C ATOM 1149 CG LYS A 72 7.879 -7.909 12.854 1.00 0.00 C ATOM 1150 CD LYS A 72 6.912 -8.980 12.342 1.00 0.00 C ATOM 1151 CE LYS A 72 7.321 -9.467 10.951 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.301 -10.390 10.405 1.00 0.00 N ATOM 0 H LYS A 72 9.116 -5.944 12.782 1.00 0.00 H new ATOM 0 HA LYS A 72 11.011 -7.822 14.103 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.388 -9.450 12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.024 -8.831 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.399 -7.328 13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.119 -7.216 12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.895 -9.821 13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.901 -8.575 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.444 -8.615 10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.285 -9.972 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.594 -10.711 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.203 -11.211 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.388 -9.897 10.335 1.00 0.00 H new ATOM 1166 N PHE A 73 10.433 -7.600 10.873 1.00 0.00 N ATOM 1167 CA PHE A 73 11.063 -7.716 9.569 1.00 0.00 C ATOM 1168 C PHE A 73 10.617 -6.584 8.642 1.00 0.00 C ATOM 1169 O PHE A 73 11.358 -5.626 8.424 1.00 0.00 O ATOM 1170 CB PHE A 73 10.614 -9.052 8.974 1.00 0.00 C ATOM 1171 CG PHE A 73 11.713 -10.118 8.943 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.386 -10.435 10.081 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.015 -10.747 7.775 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.404 -11.424 10.050 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.033 -11.737 7.746 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.706 -12.054 8.884 1.00 0.00 C ATOM 0 H PHE A 73 9.428 -7.428 10.847 1.00 0.00 H new ATOM 0 HA PHE A 73 12.147 -7.659 9.673 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.770 -9.431 9.551 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.255 -8.884 7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.146 -9.935 11.008 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.481 -10.494 6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.939 -11.676 10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.273 -12.238 6.820 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.481 -12.806 8.862 1.00 0.00 H new ATOM 1186 N GLY A 74 9.408 -6.730 8.121 1.00 0.00 N ATOM 1187 CA GLY A 74 8.854 -5.731 7.221 1.00 0.00 C ATOM 1188 C GLY A 74 9.706 -5.599 5.957 1.00 0.00 C ATOM 1189 O GLY A 74 9.723 -4.547 5.322 1.00 0.00 O ATOM 0 H GLY A 74 8.796 -7.525 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.835 -6.006 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.800 -4.768 7.729 1.00 0.00 H new ATOM 1193 N LYS A 75 10.394 -6.685 5.629 1.00 0.00 N ATOM 1194 CA LYS A 75 11.245 -6.704 4.452 1.00 0.00 C ATOM 1195 C LYS A 75 10.963 -7.973 3.646 1.00 0.00 C ATOM 1196 O LYS A 75 11.540 -9.026 3.915 1.00 0.00 O ATOM 1197 CB LYS A 75 12.714 -6.542 4.851 1.00 0.00 C ATOM 1198 CG LYS A 75 13.178 -7.712 5.720 1.00 0.00 C ATOM 1199 CD LYS A 75 14.062 -7.224 6.870 1.00 0.00 C ATOM 1200 CE LYS A 75 15.510 -7.047 6.410 1.00 0.00 C ATOM 1201 NZ LYS A 75 15.811 -5.613 6.191 1.00 0.00 N ATOM 0 H LYS A 75 10.378 -7.557 6.158 1.00 0.00 H new ATOM 0 HA LYS A 75 11.019 -5.857 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.333 -6.481 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.846 -5.606 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.312 -8.238 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.731 -8.426 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.679 -6.277 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.022 -7.938 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.189 -7.457 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.676 -7.605 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.798 -5.509 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.175 -5.232 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.672 -5.090 7.079 1.00 0.00 H new ATOM 1215 N PRO A 76 10.052 -7.828 2.647 1.00 0.00 N ATOM 1216 CA PRO A 76 9.686 -8.950 1.798 1.00 0.00 C ATOM 1217 C PRO A 76 10.796 -9.260 0.790 1.00 0.00 C ATOM 1218 O PRO A 76 11.789 -8.537 0.714 1.00 0.00 O ATOM 1219 CB PRO A 76 8.382 -8.536 1.139 1.00 0.00 C ATOM 1220 CG PRO A 76 8.305 -7.024 1.278 1.00 0.00 C ATOM 1221 CD PRO A 76 9.348 -6.598 2.299 1.00 0.00 C ATOM 0 HA PRO A 76 9.556 -9.876 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.363 -8.833 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.531 -9.016 1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.491 -6.542 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.309 -6.720 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.030 -5.856 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.883 -6.147 3.175 1.00 0.00 H new ATOM 1229 N ASN A 77 10.587 -10.332 0.040 1.00 0.00 N ATOM 1230 CA ASN A 77 11.556 -10.746 -0.959 1.00 0.00 C ATOM 1231 C ASN A 77 11.943 -9.539 -1.818 1.00 0.00 C ATOM 1232 O ASN A 77 11.095 -8.711 -2.148 1.00 0.00 O ATOM 1233 CB ASN A 77 10.972 -11.816 -1.883 1.00 0.00 C ATOM 1234 CG ASN A 77 10.202 -12.869 -1.084 1.00 0.00 C ATOM 1235 OD1 ASN A 77 8.946 -12.525 -0.806 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 10.711 -13.923 -0.744 1.00 0.00 N flip ATOM 0 H ASN A 77 9.760 -10.926 0.105 1.00 0.00 H new ATOM 0 HA ASN A 77 12.423 -11.153 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.308 -11.350 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.775 -12.295 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.680 -14.124 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.168 -14.604 -0.213 1.00 0.00 H new ATOM 1243 N LYS A 78 13.223 -9.479 -2.156 1.00 0.00 N ATOM 1244 CA LYS A 78 13.730 -8.387 -2.968 1.00 0.00 C ATOM 1245 C LYS A 78 13.694 -8.796 -4.442 1.00 0.00 C ATOM 1246 O LYS A 78 14.657 -9.360 -4.958 1.00 0.00 O ATOM 1247 CB LYS A 78 15.117 -7.960 -2.484 1.00 0.00 C ATOM 1248 CG LYS A 78 15.011 -6.912 -1.373 1.00 0.00 C ATOM 1249 CD LYS A 78 15.437 -5.532 -1.877 1.00 0.00 C ATOM 1250 CE LYS A 78 16.956 -5.454 -2.044 1.00 0.00 C ATOM 1251 NZ LYS A 78 17.336 -4.213 -2.755 1.00 0.00 N ATOM 0 H LYS A 78 13.923 -10.169 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 78 13.095 -7.507 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.662 -8.830 -2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.688 -7.554 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.985 -6.868 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.638 -7.205 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.952 -5.323 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.105 -4.766 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.437 -5.482 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.312 -6.322 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.370 -4.176 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.892 -4.202 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.013 -3.388 -2.210 1.00 0.00 H new ATOM 1265 N ARG A 79 12.571 -8.496 -5.079 1.00 0.00 N ATOM 1266 CA ARG A 79 12.395 -8.825 -6.482 1.00 0.00 C ATOM 1267 C ARG A 79 12.620 -7.584 -7.352 1.00 0.00 C ATOM 1268 O ARG A 79 12.976 -6.522 -6.842 1.00 0.00 O ATOM 1269 CB ARG A 79 10.995 -9.379 -6.748 1.00 0.00 C ATOM 1270 CG ARG A 79 10.831 -10.770 -6.133 1.00 0.00 C ATOM 1271 CD ARG A 79 11.300 -11.858 -7.102 1.00 0.00 C ATOM 1272 NE ARG A 79 11.446 -13.144 -6.387 1.00 0.00 N ATOM 1273 CZ ARG A 79 11.590 -14.330 -6.994 1.00 0.00 C ATOM 1274 NH1 ARG A 79 11.607 -14.399 -8.332 1.00 0.00 N ATOM 1275 NH2 ARG A 79 11.715 -15.446 -6.264 1.00 0.00 N ATOM 0 H ARG A 79 11.774 -8.028 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 79 13.129 -9.589 -6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.247 -8.703 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.818 -9.429 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.403 -10.832 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.785 -10.936 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.583 -11.965 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.251 -11.572 -7.550 1.00 0.00 H new ATOM 0 HE ARG A 79 11.437 -13.127 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.510 -13.549 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.717 -15.301 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.701 -15.393 -5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.825 -16.348 -6.727 1.00 0.00 H new ATOM 1289 N LYS A 80 12.401 -7.759 -8.646 1.00 0.00 N ATOM 1290 CA LYS A 80 12.574 -6.668 -9.589 1.00 0.00 C ATOM 1291 C LYS A 80 11.489 -5.616 -9.348 1.00 0.00 C ATOM 1292 O LYS A 80 11.775 -4.420 -9.321 1.00 0.00 O ATOM 1293 CB LYS A 80 12.606 -7.200 -11.023 1.00 0.00 C ATOM 1294 CG LYS A 80 13.841 -6.688 -11.769 1.00 0.00 C ATOM 1295 CD LYS A 80 14.152 -7.568 -12.980 1.00 0.00 C ATOM 1296 CE LYS A 80 13.314 -7.151 -14.192 1.00 0.00 C ATOM 1297 NZ LYS A 80 13.804 -7.820 -15.416 1.00 0.00 N ATOM 0 H LYS A 80 12.105 -8.641 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 80 13.535 -6.178 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.610 -8.290 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.704 -6.890 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.674 -5.661 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.698 -6.674 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.212 -7.495 -13.224 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.952 -8.611 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.268 -7.408 -14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.360 -6.069 -14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.225 -7.526 -16.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.795 -7.554 -15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.737 -8.851 -15.298 1.00 0.00 H new ATOM 1311 N GLY A 81 10.268 -6.098 -9.179 1.00 0.00 N ATOM 1312 CA GLY A 81 9.139 -5.214 -8.941 1.00 0.00 C ATOM 1313 C GLY A 81 9.181 -4.642 -7.521 1.00 0.00 C ATOM 1314 O GLY A 81 8.417 -3.736 -7.191 1.00 0.00 O ATOM 0 H GLY A 81 10.034 -7.091 -9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.151 -4.400 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.207 -5.760 -9.090 1.00 0.00 H new ATOM 1318 N PHE A 82 10.081 -5.194 -6.722 1.00 0.00 N ATOM 1319 CA PHE A 82 10.232 -4.750 -5.346 1.00 0.00 C ATOM 1320 C PHE A 82 11.092 -3.486 -5.270 1.00 0.00 C ATOM 1321 O PHE A 82 10.760 -2.547 -4.549 1.00 0.00 O ATOM 1322 CB PHE A 82 10.934 -5.876 -4.587 1.00 0.00 C ATOM 1323 CG PHE A 82 11.249 -5.542 -3.127 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.167 -4.583 -2.832 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.610 -6.203 -2.125 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.459 -4.272 -1.478 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.901 -5.892 -0.771 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.819 -4.933 -0.475 1.00 0.00 C ATOM 0 H PHE A 82 10.713 -5.945 -7.000 1.00 0.00 H new ATOM 0 HA PHE A 82 9.256 -4.520 -4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.307 -6.767 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.863 -6.122 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.674 -4.058 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.881 -6.965 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.189 -3.511 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.393 -6.417 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.040 -4.696 0.555 1.00 0.00 H new ATOM 1338 N SER A 83 12.182 -3.504 -6.025 1.00 0.00 N ATOM 1339 CA SER A 83 13.092 -2.371 -6.051 1.00 0.00 C ATOM 1340 C SER A 83 12.420 -1.177 -6.733 1.00 0.00 C ATOM 1341 O SER A 83 12.321 -0.099 -6.148 1.00 0.00 O ATOM 1342 CB SER A 83 14.395 -2.728 -6.770 1.00 0.00 C ATOM 1343 OG SER A 83 15.188 -1.576 -7.039 1.00 0.00 O ATOM 0 H SER A 83 12.455 -4.284 -6.622 1.00 0.00 H new ATOM 0 HA SER A 83 13.337 -2.104 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.966 -3.427 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.165 -3.237 -7.706 1.00 0.00 H new ATOM 0 HG SER A 83 16.011 -1.845 -7.497 1.00 0.00 H new ATOM 1349 N GLU A 84 11.977 -1.408 -7.959 1.00 0.00 N ATOM 1350 CA GLU A 84 11.318 -0.364 -8.726 1.00 0.00 C ATOM 1351 C GLU A 84 9.950 -0.044 -8.120 1.00 0.00 C ATOM 1352 O GLU A 84 9.403 1.034 -8.348 1.00 0.00 O ATOM 1353 CB GLU A 84 11.186 -0.765 -10.197 1.00 0.00 C ATOM 1354 CG GLU A 84 9.877 -1.517 -10.447 1.00 0.00 C ATOM 1355 CD GLU A 84 9.767 -1.957 -11.907 1.00 0.00 C ATOM 1356 OE1 GLU A 84 9.342 -1.112 -12.724 1.00 0.00 O ATOM 1357 OE2 GLU A 84 10.109 -3.128 -12.174 1.00 0.00 O ATOM 0 H GLU A 84 12.061 -2.303 -8.441 1.00 0.00 H new ATOM 0 HA GLU A 84 11.932 0.535 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.223 0.125 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.030 -1.392 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.825 -2.390 -9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.032 -0.878 -10.192 1.00 0.00 H new ATOM 1364 N GLY A 85 9.436 -1.001 -7.362 1.00 0.00 N ATOM 1365 CA GLY A 85 8.141 -0.834 -6.722 1.00 0.00 C ATOM 1366 C GLY A 85 8.242 0.106 -5.518 1.00 0.00 C ATOM 1367 O GLY A 85 7.563 1.131 -5.468 1.00 0.00 O ATOM 0 H GLY A 85 9.892 -1.894 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.425 -0.435 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.763 -1.804 -6.400 1.00 0.00 H new ATOM 1371 N LEU A 86 9.095 -0.276 -4.579 1.00 0.00 N ATOM 1372 CA LEU A 86 9.293 0.519 -3.380 1.00 0.00 C ATOM 1373 C LEU A 86 9.730 1.931 -3.776 1.00 0.00 C ATOM 1374 O LEU A 86 9.487 2.889 -3.042 1.00 0.00 O ATOM 1375 CB LEU A 86 10.264 -0.180 -2.427 1.00 0.00 C ATOM 1376 CG LEU A 86 11.099 0.735 -1.528 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.161 1.481 -2.338 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.202 1.693 -0.738 1.00 0.00 C ATOM 0 H LEU A 86 9.657 -1.126 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 86 8.357 0.616 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.694 -0.858 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.944 -0.794 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 86 11.626 0.114 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.740 2.124 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.825 0.762 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.676 2.090 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.819 2.332 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.630 2.310 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.518 1.119 -0.113 1.00 0.00 H new ATOM 1390 N TRP A 87 10.368 2.016 -4.934 1.00 0.00 N ATOM 1391 CA TRP A 87 10.841 3.295 -5.437 1.00 0.00 C ATOM 1392 C TRP A 87 9.700 3.947 -6.219 1.00 0.00 C ATOM 1393 O TRP A 87 9.668 5.166 -6.380 1.00 0.00 O ATOM 1394 CB TRP A 87 12.113 3.120 -6.267 1.00 0.00 C ATOM 1395 CG TRP A 87 13.311 3.915 -5.746 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.615 5.199 -5.980 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.362 3.422 -4.888 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.778 5.570 -5.339 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.247 4.455 -4.652 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.557 2.148 -4.329 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.389 4.319 -3.853 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.703 2.028 -3.531 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.604 3.056 -3.285 1.00 0.00 C ATOM 0 H TRP A 87 10.569 1.220 -5.539 1.00 0.00 H new ATOM 0 HA TRP A 87 11.119 3.954 -4.615 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.375 2.062 -6.292 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.909 3.422 -7.294 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.023 5.861 -6.594 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.214 6.492 -5.364 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.878 1.326 -4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.067 5.142 -3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.899 1.069 -3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.467 2.883 -2.659 1.00 0.00 H new ATOM 1414 N GLU A 88 8.789 3.105 -6.686 1.00 0.00 N ATOM 1415 CA GLU A 88 7.647 3.585 -7.449 1.00 0.00 C ATOM 1416 C GLU A 88 6.682 4.345 -6.537 1.00 0.00 C ATOM 1417 O GLU A 88 5.896 5.166 -7.008 1.00 0.00 O ATOM 1418 CB GLU A 88 6.938 2.430 -8.157 1.00 0.00 C ATOM 1419 CG GLU A 88 7.469 2.253 -9.582 1.00 0.00 C ATOM 1420 CD GLU A 88 6.502 2.850 -10.606 1.00 0.00 C ATOM 1421 OE1 GLU A 88 6.057 3.993 -10.368 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.229 2.149 -11.605 1.00 0.00 O ATOM 0 H GLU A 88 8.818 2.094 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 88 8.008 4.271 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.084 1.509 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.865 2.620 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.443 2.734 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.616 1.193 -9.790 1.00 0.00 H new ATOM 1429 N ILE A 89 6.774 4.045 -5.250 1.00 0.00 N ATOM 1430 CA ILE A 89 5.919 4.690 -4.269 1.00 0.00 C ATOM 1431 C ILE A 89 6.702 5.801 -3.565 1.00 0.00 C ATOM 1432 O ILE A 89 6.189 6.902 -3.373 1.00 0.00 O ATOM 1433 CB ILE A 89 5.325 3.655 -3.311 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.871 4.310 -2.006 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.310 2.510 -3.065 1.00 0.00 C ATOM 1436 CD1 ILE A 89 6.000 4.315 -0.972 1.00 0.00 C ATOM 0 H ILE A 89 7.428 3.364 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 89 5.068 5.162 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 89 4.439 3.225 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.548 5.332 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.010 3.774 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.865 1.788 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.541 2.020 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.227 2.906 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.650 4.786 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.304 3.290 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.851 4.872 -1.365 1.00 0.00 H new ATOM 1448 N GLU A 90 7.932 5.472 -3.201 1.00 0.00 N ATOM 1449 CA GLU A 90 8.793 6.427 -2.523 1.00 0.00 C ATOM 1450 C GLU A 90 9.265 7.503 -3.503 1.00 0.00 C ATOM 1451 O GLU A 90 9.503 8.644 -3.108 1.00 0.00 O ATOM 1452 CB GLU A 90 9.981 5.724 -1.864 1.00 0.00 C ATOM 1453 CG GLU A 90 9.645 5.303 -0.434 1.00 0.00 C ATOM 1454 CD GLU A 90 9.689 6.503 0.516 1.00 0.00 C ATOM 1455 OE1 GLU A 90 9.498 7.630 0.014 1.00 0.00 O ATOM 1456 OE2 GLU A 90 9.916 6.264 1.721 1.00 0.00 O ATOM 0 H GLU A 90 8.354 4.557 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 90 8.217 6.910 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.259 4.847 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.844 6.390 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.654 4.850 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.351 4.543 -0.099 1.00 0.00 H new ATOM 1463 N ASN A 91 9.388 7.103 -4.760 1.00 0.00 N ATOM 1464 CA ASN A 91 9.827 8.019 -5.798 1.00 0.00 C ATOM 1465 C ASN A 91 8.917 7.873 -7.019 1.00 0.00 C ATOM 1466 O ASN A 91 9.340 7.365 -8.057 1.00 0.00 O ATOM 1467 CB ASN A 91 11.259 7.707 -6.235 1.00 0.00 C ATOM 1468 CG ASN A 91 12.160 7.451 -5.025 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.805 6.394 -4.301 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.115 8.166 -4.766 1.00 0.00 N flip ATOM 0 H ASN A 91 9.191 6.156 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 91 9.784 9.031 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.262 6.833 -6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.654 8.539 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.333 8.963 -5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.695 7.966 -3.951 1.00 0.00 H new ATOM 1477 N ASN A 92 7.683 8.328 -6.855 1.00 0.00 N ATOM 1478 CA ASN A 92 6.709 8.254 -7.932 1.00 0.00 C ATOM 1479 C ASN A 92 7.124 9.209 -9.053 1.00 0.00 C ATOM 1480 O ASN A 92 7.738 10.243 -8.798 1.00 0.00 O ATOM 1481 CB ASN A 92 5.320 8.669 -7.446 1.00 0.00 C ATOM 1482 CG ASN A 92 5.383 9.974 -6.652 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.070 10.917 -7.012 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.632 9.977 -5.554 1.00 0.00 N ATOM 0 H ASN A 92 7.335 8.749 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 92 6.673 7.224 -8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.654 8.791 -8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.898 7.880 -6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.607 10.802 -4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.081 9.154 -5.311 1.00 0.00 H new ATOM 1491 N PRO A 93 6.760 8.818 -10.304 1.00 0.00 N ATOM 1492 CA PRO A 93 7.085 9.628 -11.466 1.00 0.00 C ATOM 1493 C PRO A 93 6.180 10.858 -11.548 1.00 0.00 C ATOM 1494 O PRO A 93 6.592 11.904 -12.045 1.00 0.00 O ATOM 1495 CB PRO A 93 6.928 8.693 -12.654 1.00 0.00 C ATOM 1496 CG PRO A 93 6.075 7.535 -12.163 1.00 0.00 C ATOM 1497 CD PRO A 93 6.029 7.601 -10.644 1.00 0.00 C ATOM 0 HA PRO A 93 8.096 10.033 -11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.451 9.202 -13.491 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.898 8.342 -13.006 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.069 7.599 -12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.496 6.585 -12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.002 7.641 -10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.492 6.722 -10.195 1.00 0.00 H new ATOM 1505 N THR A 94 4.961 10.691 -11.054 1.00 0.00 N ATOM 1506 CA THR A 94 3.994 11.775 -11.067 1.00 0.00 C ATOM 1507 C THR A 94 3.037 11.648 -9.878 1.00 0.00 C ATOM 1508 O THR A 94 1.894 11.226 -10.041 1.00 0.00 O ATOM 1509 CB THR A 94 3.284 11.760 -12.421 1.00 0.00 C ATOM 1510 OG1 THR A 94 2.449 12.915 -12.388 1.00 0.00 O ATOM 1511 CG2 THR A 94 2.303 10.594 -12.557 1.00 0.00 C ATOM 0 H THR A 94 4.622 9.821 -10.643 1.00 0.00 H new ATOM 0 HA THR A 94 4.482 12.743 -10.951 1.00 0.00 H new ATOM 0 HB THR A 94 4.025 11.704 -13.218 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.952 12.984 -13.230 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.827 10.631 -13.537 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.841 9.652 -12.451 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.541 10.667 -11.781 1.00 0.00 H new ATOM 1519 N VAL A 95 3.541 12.023 -8.712 1.00 0.00 N ATOM 1520 CA VAL A 95 2.745 11.958 -7.498 1.00 0.00 C ATOM 1521 C VAL A 95 1.351 12.524 -7.775 1.00 0.00 C ATOM 1522 O VAL A 95 1.187 13.734 -7.925 1.00 0.00 O ATOM 1523 CB VAL A 95 3.467 12.680 -6.359 1.00 0.00 C ATOM 1524 CG1 VAL A 95 3.634 14.169 -6.672 1.00 0.00 C ATOM 1525 CG2 VAL A 95 2.736 12.476 -5.030 1.00 0.00 C ATOM 0 H VAL A 95 4.490 12.373 -8.582 1.00 0.00 H new ATOM 0 HA VAL A 95 2.618 10.923 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 95 4.462 12.245 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.150 14.659 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.218 14.286 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.653 14.624 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.270 12.999 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.723 12.871 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.694 11.412 -4.798 1.00 0.00 H new ATOM 1535 N LYS A 96 0.382 11.622 -7.835 1.00 0.00 N ATOM 1536 CA LYS A 96 -0.993 12.017 -8.091 1.00 0.00 C ATOM 1537 C LYS A 96 -1.633 12.499 -6.788 1.00 0.00 C ATOM 1538 O LYS A 96 -2.482 13.389 -6.801 1.00 0.00 O ATOM 1539 CB LYS A 96 -1.760 10.878 -8.768 1.00 0.00 C ATOM 1540 CG LYS A 96 -1.710 9.604 -7.920 1.00 0.00 C ATOM 1541 CD LYS A 96 -3.078 8.921 -7.879 1.00 0.00 C ATOM 1542 CE LYS A 96 -3.145 7.768 -8.882 1.00 0.00 C ATOM 1543 NZ LYS A 96 -4.473 7.116 -8.835 1.00 0.00 N ATOM 0 H LYS A 96 0.522 10.619 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.025 12.853 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.797 11.175 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.333 10.682 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.969 8.918 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.391 9.849 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.271 8.545 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.858 9.648 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.952 8.142 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.367 7.038 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.501 6.336 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.643 6.742 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.210 7.811 -9.071 1.00 0.00 H new ATOM 1557 N ALA A 97 -1.199 11.891 -5.693 1.00 0.00 N ATOM 1558 CA ALA A 97 -1.720 12.248 -4.384 1.00 0.00 C ATOM 1559 C ALA A 97 -0.605 12.116 -3.346 1.00 0.00 C ATOM 1560 O ALA A 97 0.311 11.311 -3.508 1.00 0.00 O ATOM 1561 CB ALA A 97 -2.927 11.368 -4.057 1.00 0.00 C ATOM 0 H ALA A 97 -0.493 11.154 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.060 13.283 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.317 11.636 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.702 11.519 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.624 10.321 -4.053 1.00 0.00 H new ATOM 1567 N SER A 98 -0.718 12.921 -2.298 1.00 0.00 N ATOM 1568 CA SER A 98 0.270 12.904 -1.232 1.00 0.00 C ATOM 1569 C SER A 98 1.477 13.759 -1.623 1.00 0.00 C ATOM 1570 O SER A 98 1.529 14.297 -2.729 1.00 0.00 O ATOM 1571 CB SER A 98 0.713 11.475 -0.913 1.00 0.00 C ATOM 1572 OG SER A 98 0.856 11.261 0.488 1.00 0.00 O ATOM 0 H SER A 98 -1.478 13.588 -2.165 1.00 0.00 H new ATOM 0 HA SER A 98 -0.188 13.322 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.016 10.771 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.661 11.270 -1.410 1.00 0.00 H new ATOM 0 HG SER A 98 1.138 10.337 0.651 1.00 0.00 H new ATOM 1578 N GLY A 99 2.417 13.860 -0.694 1.00 0.00 N ATOM 1579 CA GLY A 99 3.619 14.642 -0.929 1.00 0.00 C ATOM 1580 C GLY A 99 4.316 14.983 0.390 1.00 0.00 C ATOM 1581 O GLY A 99 3.659 15.203 1.406 1.00 0.00 O ATOM 0 H GLY A 99 2.370 13.414 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.301 14.084 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.363 15.560 -1.457 1.00 0.00 H new ATOM 1585 N TYR A 100 5.640 15.016 0.331 1.00 0.00 N ATOM 1586 CA TYR A 100 6.434 15.325 1.508 1.00 0.00 C ATOM 1587 C TYR A 100 5.751 16.394 2.364 1.00 0.00 C ATOM 1588 O TYR A 100 5.716 16.284 3.589 1.00 0.00 O ATOM 1589 CB TYR A 100 7.762 15.880 0.986 1.00 0.00 C ATOM 1590 CG TYR A 100 8.083 17.291 1.481 1.00 0.00 C ATOM 1591 CD1 TYR A 100 8.185 17.542 2.834 1.00 0.00 C ATOM 1592 CD2 TYR A 100 8.272 18.315 0.573 1.00 0.00 C ATOM 1593 CE1 TYR A 100 8.488 18.871 3.300 1.00 0.00 C ATOM 1594 CE2 TYR A 100 8.576 19.643 1.039 1.00 0.00 C ATOM 1595 CZ TYR A 100 8.669 19.856 2.379 1.00 0.00 C ATOM 1596 OH TYR A 100 8.955 21.110 2.819 1.00 0.00 O ATOM 0 H TYR A 100 6.182 14.834 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 100 6.565 14.437 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.567 15.209 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.739 15.885 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.038 16.742 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.192 18.119 -0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.570 19.081 4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.727 20.452 0.340 1.00 0.00 H new ATOM 0 HH TYR A 100 9.059 21.710 2.051 1.00 0.00 H new TER 1606 TYR A 100