USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 526 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 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 61:sc= 0.222 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 141:sc= 2.09 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 29 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 150:sc= -0.482 (180deg=-3.17!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.142) USER MOD Single : A 53 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.6!) USER MOD Single : A 56 HIS : no HE2:sc= -4.55 K(o=-4.6,f=-7.1!) USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.119) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 67 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 -11.105 17.196 -4.357 1.00 0.00 N ATOM 2 CA PRO A 5 -12.224 16.233 -4.544 1.00 0.00 C ATOM 3 C PRO A 5 -11.737 14.978 -5.277 1.00 0.00 C ATOM 4 O PRO A 5 -12.222 14.640 -6.340 1.00 0.00 O ATOM 5 CB PRO A 5 -13.237 17.004 -5.389 1.00 0.00 C ATOM 6 CG PRO A 5 -12.431 18.032 -6.107 1.00 0.00 C ATOM 7 CD PRO A 5 -11.279 18.386 -5.206 1.00 0.00 C ATOM 0 HA PRO A 5 -12.647 15.886 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.751 16.345 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -14.002 17.466 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.072 17.645 -7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.035 18.912 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.377 18.602 -5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.497 19.272 -4.610 1.00 0.00 H new ATOM 15 N THR A 6 -10.781 14.286 -4.710 1.00 0.00 N ATOM 16 CA THR A 6 -10.252 13.046 -5.356 1.00 0.00 C ATOM 17 C THR A 6 -9.979 11.967 -4.300 1.00 0.00 C ATOM 18 O THR A 6 -9.705 12.270 -3.154 1.00 0.00 O ATOM 19 CB THR A 6 -8.955 13.475 -6.053 1.00 0.00 C ATOM 20 OG1 THR A 6 -8.374 12.350 -6.698 1.00 0.00 O ATOM 21 CG2 THR A 6 -7.970 14.054 -5.031 1.00 0.00 C ATOM 0 H THR A 6 -10.342 14.528 -3.822 1.00 0.00 H new ATOM 0 HA THR A 6 -10.962 12.616 -6.062 1.00 0.00 H new ATOM 0 HB THR A 6 -9.183 14.243 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.546 12.621 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.054 14.355 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.417 14.922 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.738 13.298 -4.281 1.00 0.00 H new ATOM 29 N ASP A 7 -10.054 10.715 -4.679 1.00 0.00 N ATOM 30 CA ASP A 7 -9.799 9.614 -3.699 1.00 0.00 C ATOM 31 C ASP A 7 -8.426 8.975 -3.948 1.00 0.00 C ATOM 32 O ASP A 7 -8.043 8.720 -5.074 1.00 0.00 O ATOM 33 CB ASP A 7 -10.928 8.599 -3.932 1.00 0.00 C ATOM 34 CG ASP A 7 -10.876 8.042 -5.363 1.00 0.00 C ATOM 35 OD1 ASP A 7 -10.276 8.679 -6.216 1.00 0.00 O ATOM 36 OD2 ASP A 7 -11.444 6.986 -5.583 1.00 0.00 O ATOM 0 H ASP A 7 -10.281 10.408 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.787 9.976 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.842 7.782 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.893 9.075 -3.757 1.00 0.00 H new ATOM 41 N CYS A 8 -7.686 8.723 -2.896 1.00 0.00 N ATOM 42 CA CYS A 8 -6.335 8.109 -3.044 1.00 0.00 C ATOM 43 C CYS A 8 -6.308 6.702 -2.434 1.00 0.00 C ATOM 44 O CYS A 8 -5.278 6.238 -1.982 1.00 0.00 O ATOM 45 CB CYS A 8 -5.409 9.041 -2.268 1.00 0.00 C ATOM 46 SG CYS A 8 -4.788 10.337 -3.368 1.00 0.00 S ATOM 0 H CYS A 8 -7.965 8.919 -1.935 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.043 8.000 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.945 9.487 -1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.576 8.476 -1.849 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.001 11.130 -2.703 1.00 0.00 H new ATOM 52 N SER A 9 -7.435 6.036 -2.389 1.00 0.00 N ATOM 53 CA SER A 9 -7.484 4.669 -1.772 1.00 0.00 C ATOM 54 C SER A 9 -6.483 3.721 -2.443 1.00 0.00 C ATOM 55 O SER A 9 -5.759 4.098 -3.345 1.00 0.00 O ATOM 56 CB SER A 9 -8.913 4.176 -2.002 1.00 0.00 C ATOM 57 OG SER A 9 -9.160 4.086 -3.399 1.00 0.00 O ATOM 0 H SER A 9 -8.325 6.378 -2.752 1.00 0.00 H new ATOM 0 HA SER A 9 -7.220 4.700 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.054 3.202 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.625 4.859 -1.539 1.00 0.00 H new ATOM 0 HG SER A 9 -10.075 3.769 -3.550 1.00 0.00 H new ATOM 63 N ILE A 10 -6.430 2.496 -1.984 1.00 0.00 N ATOM 64 CA ILE A 10 -5.468 1.503 -2.559 1.00 0.00 C ATOM 65 C ILE A 10 -5.870 1.123 -3.988 1.00 0.00 C ATOM 66 O ILE A 10 -5.028 0.945 -4.837 1.00 0.00 O ATOM 67 CB ILE A 10 -5.547 0.284 -1.626 1.00 0.00 C ATOM 68 CG1 ILE A 10 -5.097 0.693 -0.222 1.00 0.00 C ATOM 69 CG2 ILE A 10 -4.633 -0.833 -2.142 1.00 0.00 C ATOM 70 CD1 ILE A 10 -5.404 -0.437 0.764 1.00 0.00 C ATOM 0 H ILE A 10 -7.016 2.137 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.456 1.903 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.575 -0.078 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.029 0.911 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.609 1.605 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.696 -1.692 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.948 -1.128 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.604 -0.475 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.083 -0.145 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.476 -0.633 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.872 -1.339 0.461 1.00 0.00 H new ATOM 82 N VAL A 11 -7.143 0.969 -4.249 1.00 0.00 N ATOM 83 CA VAL A 11 -7.595 0.568 -5.627 1.00 0.00 C ATOM 84 C VAL A 11 -6.983 1.480 -6.709 1.00 0.00 C ATOM 85 O VAL A 11 -6.356 1.008 -7.640 1.00 0.00 O ATOM 86 CB VAL A 11 -9.123 0.718 -5.586 1.00 0.00 C ATOM 87 CG1 VAL A 11 -9.724 0.413 -6.962 1.00 0.00 C ATOM 88 CG2 VAL A 11 -9.695 -0.260 -4.558 1.00 0.00 C ATOM 0 H VAL A 11 -7.893 1.102 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.280 -0.444 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.373 1.742 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.808 0.523 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.318 1.107 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.474 -0.608 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.780 -0.159 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.435 -1.280 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.279 -0.039 -3.575 1.00 0.00 H new ATOM 98 N SER A 12 -7.171 2.768 -6.600 1.00 0.00 N ATOM 99 CA SER A 12 -6.613 3.708 -7.629 1.00 0.00 C ATOM 100 C SER A 12 -5.085 3.595 -7.709 1.00 0.00 C ATOM 101 O SER A 12 -4.504 3.652 -8.776 1.00 0.00 O ATOM 102 CB SER A 12 -7.021 5.105 -7.161 1.00 0.00 C ATOM 103 OG SER A 12 -8.430 5.250 -7.282 1.00 0.00 O ATOM 0 H SER A 12 -7.687 3.215 -5.843 1.00 0.00 H new ATOM 0 HA SER A 12 -6.992 3.481 -8.625 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.716 5.257 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.514 5.863 -7.758 1.00 0.00 H new ATOM 0 HG SER A 12 -8.694 6.144 -6.981 1.00 0.00 H new ATOM 109 N PHE A 13 -4.434 3.459 -6.584 1.00 0.00 N ATOM 110 CA PHE A 13 -2.934 3.370 -6.571 1.00 0.00 C ATOM 111 C PHE A 13 -2.425 2.164 -7.385 1.00 0.00 C ATOM 112 O PHE A 13 -1.479 2.281 -8.140 1.00 0.00 O ATOM 113 CB PHE A 13 -2.577 3.221 -5.083 1.00 0.00 C ATOM 114 CG PHE A 13 -1.086 3.041 -4.906 1.00 0.00 C ATOM 115 CD1 PHE A 13 -0.206 4.094 -5.184 1.00 0.00 C ATOM 116 CD2 PHE A 13 -0.587 1.813 -4.453 1.00 0.00 C ATOM 117 CE1 PHE A 13 1.172 3.918 -5.012 1.00 0.00 C ATOM 118 CE2 PHE A 13 0.791 1.638 -4.281 1.00 0.00 C ATOM 119 CZ PHE A 13 1.670 2.691 -4.560 1.00 0.00 C ATOM 0 H PHE A 13 -4.875 3.405 -5.666 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.470 4.243 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.910 4.102 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.104 2.365 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.590 5.042 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.266 1.001 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.851 4.730 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.176 0.691 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.733 2.556 -4.426 1.00 0.00 H new ATOM 129 N LEU A 14 -3.029 1.014 -7.228 1.00 0.00 N ATOM 130 CA LEU A 14 -2.562 -0.193 -7.982 1.00 0.00 C ATOM 131 C LEU A 14 -2.675 0.032 -9.492 1.00 0.00 C ATOM 132 O LEU A 14 -1.802 -0.351 -10.248 1.00 0.00 O ATOM 133 CB LEU A 14 -3.481 -1.332 -7.535 1.00 0.00 C ATOM 134 CG LEU A 14 -3.192 -1.674 -6.070 1.00 0.00 C ATOM 135 CD1 LEU A 14 -4.203 -2.712 -5.576 1.00 0.00 C ATOM 136 CD2 LEU A 14 -1.775 -2.242 -5.946 1.00 0.00 C ATOM 0 H LEU A 14 -3.826 0.857 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.514 -0.415 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.524 -1.040 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.323 -2.209 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.275 -0.771 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.996 -2.954 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.211 -2.307 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.123 -3.615 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.570 -2.485 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.690 -3.144 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.055 -1.502 -6.294 1.00 0.00 H new ATOM 148 N ALA A 15 -3.735 0.663 -9.933 1.00 0.00 N ATOM 149 CA ALA A 15 -3.896 0.926 -11.398 1.00 0.00 C ATOM 150 C ALA A 15 -2.732 1.792 -11.892 1.00 0.00 C ATOM 151 O ALA A 15 -2.174 1.562 -12.948 1.00 0.00 O ATOM 152 CB ALA A 15 -5.224 1.672 -11.535 1.00 0.00 C ATOM 0 H ALA A 15 -4.494 1.007 -9.345 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.895 0.010 -11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.408 1.898 -12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.032 1.050 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.180 2.601 -10.966 1.00 0.00 H new ATOM 158 N ARG A 16 -2.371 2.784 -11.123 1.00 0.00 N ATOM 159 CA ARG A 16 -1.245 3.683 -11.517 1.00 0.00 C ATOM 160 C ARG A 16 0.053 2.882 -11.640 1.00 0.00 C ATOM 161 O ARG A 16 0.929 3.220 -12.413 1.00 0.00 O ATOM 162 CB ARG A 16 -1.140 4.712 -10.389 1.00 0.00 C ATOM 163 CG ARG A 16 -2.355 5.639 -10.437 1.00 0.00 C ATOM 164 CD ARG A 16 -2.261 6.675 -9.314 1.00 0.00 C ATOM 165 NE ARG A 16 -3.486 7.513 -9.458 1.00 0.00 N ATOM 166 CZ ARG A 16 -3.864 8.290 -8.480 1.00 0.00 C ATOM 167 NH1 ARG A 16 -4.321 7.770 -7.374 1.00 0.00 N ATOM 168 NH2 ARG A 16 -3.788 9.586 -8.610 1.00 0.00 N ATOM 0 H ARG A 16 -2.811 3.013 -10.232 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.416 4.158 -12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.091 4.207 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.222 5.291 -10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.404 6.140 -11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.271 5.058 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.224 6.195 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.357 7.277 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.029 7.479 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.383 6.757 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.617 8.377 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.433 9.992 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.083 10.193 -7.846 1.00 0.00 H new ATOM 182 N LEU A 17 0.180 1.821 -10.884 1.00 0.00 N ATOM 183 CA LEU A 17 1.418 0.988 -10.951 1.00 0.00 C ATOM 184 C LEU A 17 1.192 -0.232 -11.865 1.00 0.00 C ATOM 185 O LEU A 17 1.975 -1.161 -11.878 1.00 0.00 O ATOM 186 CB LEU A 17 1.659 0.558 -9.499 1.00 0.00 C ATOM 187 CG LEU A 17 3.033 -0.104 -9.346 1.00 0.00 C ATOM 188 CD1 LEU A 17 4.141 0.934 -9.539 1.00 0.00 C ATOM 189 CD2 LEU A 17 3.141 -0.698 -7.941 1.00 0.00 C ATOM 0 H LEU A 17 -0.523 1.495 -10.221 1.00 0.00 H new ATOM 0 HA LEU A 17 2.271 1.524 -11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.594 1.426 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.879 -0.137 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 17 3.143 -0.886 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.113 0.453 -9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.063 1.369 -10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.038 1.720 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.115 -1.172 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.029 0.095 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.356 -1.441 -7.799 1.00 0.00 H new ATOM 201 N GLY A 18 0.132 -0.232 -12.641 1.00 0.00 N ATOM 202 CA GLY A 18 -0.132 -1.383 -13.555 1.00 0.00 C ATOM 203 C GLY A 18 -0.478 -2.628 -12.732 1.00 0.00 C ATOM 204 O GLY A 18 -0.252 -3.744 -13.158 1.00 0.00 O ATOM 0 H GLY A 18 -0.560 0.517 -12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.953 -1.142 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.744 -1.576 -14.174 1.00 0.00 H new ATOM 208 N CYS A 19 -1.024 -2.442 -11.557 1.00 0.00 N ATOM 209 CA CYS A 19 -1.389 -3.608 -10.697 1.00 0.00 C ATOM 210 C CYS A 19 -2.908 -3.675 -10.527 1.00 0.00 C ATOM 211 O CYS A 19 -3.588 -2.668 -10.590 1.00 0.00 O ATOM 212 CB CYS A 19 -0.708 -3.337 -9.356 1.00 0.00 C ATOM 213 SG CYS A 19 1.084 -3.512 -9.542 1.00 0.00 S ATOM 0 H CYS A 19 -1.234 -1.528 -11.155 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.074 -4.559 -11.127 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.952 -2.333 -9.009 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.076 -4.033 -8.602 1.00 0.00 H new ATOM 0 HG CYS A 19 1.515 -2.654 -10.418 1.00 0.00 H new ATOM 219 N SER A 20 -3.449 -4.852 -10.316 1.00 0.00 N ATOM 220 CA SER A 20 -4.932 -4.987 -10.144 1.00 0.00 C ATOM 221 C SER A 20 -5.296 -6.424 -9.743 1.00 0.00 C ATOM 222 O SER A 20 -6.208 -6.651 -8.971 1.00 0.00 O ATOM 223 CB SER A 20 -5.528 -4.656 -11.515 1.00 0.00 C ATOM 224 OG SER A 20 -5.065 -5.604 -12.468 1.00 0.00 O ATOM 0 H SER A 20 -2.927 -5.726 -10.255 1.00 0.00 H new ATOM 0 HA SER A 20 -5.311 -4.329 -9.362 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.617 -4.674 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.240 -3.649 -11.817 1.00 0.00 H new ATOM 0 HG SER A 20 -5.446 -5.397 -13.347 1.00 0.00 H new ATOM 230 N SER A 21 -4.594 -7.393 -10.276 1.00 0.00 N ATOM 231 CA SER A 21 -4.892 -8.826 -9.954 1.00 0.00 C ATOM 232 C SER A 21 -4.744 -9.111 -8.452 1.00 0.00 C ATOM 233 O SER A 21 -5.357 -10.025 -7.933 1.00 0.00 O ATOM 234 CB SER A 21 -3.867 -9.636 -10.748 1.00 0.00 C ATOM 235 OG SER A 21 -4.214 -9.609 -12.127 1.00 0.00 O ATOM 0 H SER A 21 -3.820 -7.253 -10.926 1.00 0.00 H new ATOM 0 HA SER A 21 -5.919 -9.082 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.869 -9.222 -10.604 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.841 -10.664 -10.388 1.00 0.00 H new ATOM 0 HG SER A 21 -3.558 -10.126 -12.640 1.00 0.00 H new ATOM 241 N CYS A 22 -3.939 -8.349 -7.752 1.00 0.00 N ATOM 242 CA CYS A 22 -3.757 -8.595 -6.285 1.00 0.00 C ATOM 243 C CYS A 22 -4.786 -7.808 -5.456 1.00 0.00 C ATOM 244 O CYS A 22 -4.701 -7.755 -4.243 1.00 0.00 O ATOM 245 CB CYS A 22 -2.343 -8.108 -5.976 1.00 0.00 C ATOM 246 SG CYS A 22 -1.142 -9.213 -6.758 1.00 0.00 S ATOM 0 H CYS A 22 -3.401 -7.569 -8.131 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.900 -9.646 -6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.209 -7.090 -6.342 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.183 -8.083 -4.898 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.155 -8.514 -7.234 1.00 0.00 H new ATOM 252 N LEU A 23 -5.742 -7.182 -6.100 1.00 0.00 N ATOM 253 CA LEU A 23 -6.758 -6.381 -5.348 1.00 0.00 C ATOM 254 C LEU A 23 -7.512 -7.277 -4.354 1.00 0.00 C ATOM 255 O LEU A 23 -7.817 -6.871 -3.250 1.00 0.00 O ATOM 256 CB LEU A 23 -7.714 -5.844 -6.422 1.00 0.00 C ATOM 257 CG LEU A 23 -8.793 -4.980 -5.767 1.00 0.00 C ATOM 258 CD1 LEU A 23 -8.153 -3.706 -5.218 1.00 0.00 C ATOM 259 CD2 LEU A 23 -9.853 -4.608 -6.806 1.00 0.00 C ATOM 0 H LEU A 23 -5.862 -7.191 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.304 -5.578 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.160 -5.257 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.175 -6.673 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.262 -5.536 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.918 -3.087 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.396 -3.968 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.687 -3.153 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.621 -3.992 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.386 -4.051 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.308 -5.516 -7.203 1.00 0.00 H new ATOM 271 N ASP A 24 -7.834 -8.481 -4.750 1.00 0.00 N ATOM 272 CA ASP A 24 -8.597 -9.408 -3.850 1.00 0.00 C ATOM 273 C ASP A 24 -7.933 -9.561 -2.467 1.00 0.00 C ATOM 274 O ASP A 24 -8.618 -9.681 -1.467 1.00 0.00 O ATOM 275 CB ASP A 24 -8.603 -10.753 -4.585 1.00 0.00 C ATOM 276 CG ASP A 24 -9.617 -11.699 -3.934 1.00 0.00 C ATOM 277 OD1 ASP A 24 -9.840 -11.570 -2.741 1.00 0.00 O ATOM 278 OD2 ASP A 24 -10.154 -12.534 -4.642 1.00 0.00 O ATOM 0 H ASP A 24 -7.601 -8.868 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.598 -9.024 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.855 -10.602 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.608 -11.197 -4.557 1.00 0.00 H new ATOM 283 N TYR A 25 -6.622 -9.587 -2.391 1.00 0.00 N ATOM 284 CA TYR A 25 -5.957 -9.761 -1.054 1.00 0.00 C ATOM 285 C TYR A 25 -6.267 -8.575 -0.124 1.00 0.00 C ATOM 286 O TYR A 25 -6.490 -8.753 1.059 1.00 0.00 O ATOM 287 CB TYR A 25 -4.453 -9.824 -1.341 1.00 0.00 C ATOM 288 CG TYR A 25 -4.136 -11.031 -2.192 1.00 0.00 C ATOM 289 CD1 TYR A 25 -4.399 -12.318 -1.708 1.00 0.00 C ATOM 290 CD2 TYR A 25 -3.576 -10.864 -3.464 1.00 0.00 C ATOM 291 CE1 TYR A 25 -4.102 -13.437 -2.496 1.00 0.00 C ATOM 292 CE2 TYR A 25 -3.279 -11.982 -4.252 1.00 0.00 C ATOM 293 CZ TYR A 25 -3.542 -13.269 -3.769 1.00 0.00 C ATOM 294 OH TYR A 25 -3.248 -14.372 -4.545 1.00 0.00 O ATOM 0 H TYR A 25 -5.989 -9.497 -3.185 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.316 -10.660 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.134 -8.915 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.898 -9.874 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.831 -12.448 -0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.373 -9.871 -3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.305 -14.430 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.847 -11.851 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.867 -14.079 -5.399 1.00 0.00 H new ATOM 304 N PHE A 26 -6.267 -7.373 -0.645 1.00 0.00 N ATOM 305 CA PHE A 26 -6.544 -6.172 0.218 1.00 0.00 C ATOM 306 C PHE A 26 -8.008 -6.120 0.668 1.00 0.00 C ATOM 307 O PHE A 26 -8.304 -5.798 1.803 1.00 0.00 O ATOM 308 CB PHE A 26 -6.237 -4.967 -0.675 1.00 0.00 C ATOM 309 CG PHE A 26 -4.749 -4.866 -0.902 1.00 0.00 C ATOM 310 CD1 PHE A 26 -4.157 -5.523 -1.987 1.00 0.00 C ATOM 311 CD2 PHE A 26 -3.961 -4.112 -0.025 1.00 0.00 C ATOM 312 CE1 PHE A 26 -2.775 -5.426 -2.194 1.00 0.00 C ATOM 313 CE2 PHE A 26 -2.581 -4.014 -0.232 1.00 0.00 C ATOM 314 CZ PHE A 26 -1.988 -4.670 -1.316 1.00 0.00 C ATOM 0 H PHE A 26 -6.088 -7.167 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.943 -6.196 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.754 -5.069 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.606 -4.054 -0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.765 -6.104 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.419 -3.606 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.317 -5.934 -3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.973 -3.432 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.923 -4.593 -1.476 1.00 0.00 H new ATOM 324 N THR A 27 -8.919 -6.424 -0.215 1.00 0.00 N ATOM 325 CA THR A 27 -10.367 -6.379 0.160 1.00 0.00 C ATOM 326 C THR A 27 -10.675 -7.456 1.207 1.00 0.00 C ATOM 327 O THR A 27 -11.432 -7.233 2.134 1.00 0.00 O ATOM 328 CB THR A 27 -11.160 -6.594 -1.139 1.00 0.00 C ATOM 329 OG1 THR A 27 -12.550 -6.574 -0.848 1.00 0.00 O ATOM 330 CG2 THR A 27 -10.799 -7.932 -1.785 1.00 0.00 C ATOM 0 H THR A 27 -8.728 -6.701 -1.178 1.00 0.00 H new ATOM 0 HA THR A 27 -10.641 -5.425 0.611 1.00 0.00 H new ATOM 0 HB THR A 27 -10.909 -5.794 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.059 -6.709 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.374 -8.060 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.734 -7.948 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.031 -8.743 -1.095 1.00 0.00 H new ATOM 338 N THR A 28 -10.092 -8.615 1.065 1.00 0.00 N ATOM 339 CA THR A 28 -10.336 -9.719 2.047 1.00 0.00 C ATOM 340 C THR A 28 -9.739 -9.387 3.427 1.00 0.00 C ATOM 341 O THR A 28 -10.075 -10.015 4.414 1.00 0.00 O ATOM 342 CB THR A 28 -9.637 -10.943 1.448 1.00 0.00 C ATOM 343 OG1 THR A 28 -10.073 -11.124 0.107 1.00 0.00 O ATOM 344 CG2 THR A 28 -9.980 -12.189 2.267 1.00 0.00 C ATOM 0 H THR A 28 -9.452 -8.850 0.306 1.00 0.00 H new ATOM 0 HA THR A 28 -11.402 -9.882 2.206 1.00 0.00 H new ATOM 0 HB THR A 28 -8.558 -10.787 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.431 -10.707 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.480 -13.057 1.836 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.646 -12.052 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.058 -12.348 2.253 1.00 0.00 H new ATOM 352 N GLN A 29 -8.838 -8.434 3.504 1.00 0.00 N ATOM 353 CA GLN A 29 -8.204 -8.103 4.822 1.00 0.00 C ATOM 354 C GLN A 29 -8.848 -6.884 5.498 1.00 0.00 C ATOM 355 O GLN A 29 -8.555 -6.588 6.642 1.00 0.00 O ATOM 356 CB GLN A 29 -6.754 -7.793 4.465 1.00 0.00 C ATOM 357 CG GLN A 29 -6.084 -9.051 3.908 1.00 0.00 C ATOM 358 CD GLN A 29 -5.359 -9.802 5.033 1.00 0.00 C ATOM 359 OE1 GLN A 29 -5.245 -9.310 6.140 1.00 0.00 O ATOM 360 NE2 GLN A 29 -4.855 -10.982 4.794 1.00 0.00 N ATOM 0 H GLN A 29 -8.516 -7.874 2.715 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.319 -8.922 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.714 -6.990 3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.218 -7.443 5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.832 -9.699 3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.375 -8.779 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.948 -11.398 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.368 -11.488 5.534 1.00 0.00 H new ATOM 369 N GLY A 30 -9.706 -6.170 4.814 1.00 0.00 N ATOM 370 CA GLY A 30 -10.340 -4.965 5.437 1.00 0.00 C ATOM 371 C GLY A 30 -9.470 -3.721 5.187 1.00 0.00 C ATOM 372 O GLY A 30 -9.636 -2.702 5.829 1.00 0.00 O ATOM 0 H GLY A 30 -9.995 -6.367 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.335 -4.812 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.464 -5.123 6.508 1.00 0.00 H new ATOM 376 N LEU A 31 -8.560 -3.794 4.244 1.00 0.00 N ATOM 377 CA LEU A 31 -7.697 -2.616 3.932 1.00 0.00 C ATOM 378 C LEU A 31 -8.228 -1.916 2.684 1.00 0.00 C ATOM 379 O LEU A 31 -8.205 -2.459 1.596 1.00 0.00 O ATOM 380 CB LEU A 31 -6.303 -3.188 3.689 1.00 0.00 C ATOM 381 CG LEU A 31 -5.616 -3.391 5.037 1.00 0.00 C ATOM 382 CD1 LEU A 31 -4.594 -4.526 4.930 1.00 0.00 C ATOM 383 CD2 LEU A 31 -4.897 -2.101 5.440 1.00 0.00 C ATOM 0 H LEU A 31 -8.379 -4.622 3.677 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.684 -1.879 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.371 -4.135 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.720 -2.510 3.066 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.364 -3.646 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.106 -4.668 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.101 -5.446 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.846 -4.273 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.406 -2.244 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.151 -1.849 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.621 -1.290 5.519 1.00 0.00 H new ATOM 395 N THR A 32 -8.719 -0.717 2.845 1.00 0.00 N ATOM 396 CA THR A 32 -9.273 0.032 1.676 1.00 0.00 C ATOM 397 C THR A 32 -8.783 1.483 1.665 1.00 0.00 C ATOM 398 O THR A 32 -9.458 2.359 1.158 1.00 0.00 O ATOM 399 CB THR A 32 -10.792 -0.013 1.860 1.00 0.00 C ATOM 400 OG1 THR A 32 -11.133 0.586 3.102 1.00 0.00 O ATOM 401 CG2 THR A 32 -11.277 -1.466 1.842 1.00 0.00 C ATOM 0 H THR A 32 -8.761 -0.222 3.736 1.00 0.00 H new ATOM 0 HA THR A 32 -8.954 -0.408 0.731 1.00 0.00 H new ATOM 0 HB THR A 32 -11.270 0.532 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.105 0.560 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.359 -1.490 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.017 -1.925 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.801 -2.019 2.652 1.00 0.00 H new ATOM 409 N THR A 33 -7.621 1.750 2.209 1.00 0.00 N ATOM 410 CA THR A 33 -7.105 3.156 2.213 1.00 0.00 C ATOM 411 C THR A 33 -5.577 3.164 2.154 1.00 0.00 C ATOM 412 O THR A 33 -4.914 2.375 2.803 1.00 0.00 O ATOM 413 CB THR A 33 -7.588 3.794 3.533 1.00 0.00 C ATOM 414 OG1 THR A 33 -8.058 2.794 4.433 1.00 0.00 O ATOM 415 CG2 THR A 33 -8.714 4.788 3.245 1.00 0.00 C ATOM 0 H THR A 33 -7.010 1.061 2.648 1.00 0.00 H new ATOM 0 HA THR A 33 -7.469 3.709 1.347 1.00 0.00 H new ATOM 0 HB THR A 33 -6.747 4.313 3.993 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.358 3.217 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.052 5.236 4.180 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.348 5.570 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.546 4.268 2.770 1.00 0.00 H new ATOM 423 N ILE A 34 -5.016 4.065 1.389 1.00 0.00 N ATOM 424 CA ILE A 34 -3.535 4.153 1.289 1.00 0.00 C ATOM 425 C ILE A 34 -2.956 4.562 2.652 1.00 0.00 C ATOM 426 O ILE A 34 -1.853 4.197 3.009 1.00 0.00 O ATOM 427 CB ILE A 34 -3.272 5.215 0.206 1.00 0.00 C ATOM 428 CG1 ILE A 34 -1.792 5.199 -0.146 1.00 0.00 C ATOM 429 CG2 ILE A 34 -3.672 6.614 0.696 1.00 0.00 C ATOM 430 CD1 ILE A 34 -1.553 6.029 -1.410 1.00 0.00 C ATOM 0 H ILE A 34 -5.527 4.746 0.827 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.062 3.207 1.024 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.873 4.981 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.207 5.602 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.457 4.174 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.475 7.344 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.734 6.623 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.091 6.869 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.492 6.015 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.125 5.607 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.872 7.057 -1.236 1.00 0.00 H new ATOM 442 N TYR A 35 -3.713 5.316 3.412 1.00 0.00 N ATOM 443 CA TYR A 35 -3.239 5.758 4.757 1.00 0.00 C ATOM 444 C TYR A 35 -2.953 4.554 5.653 1.00 0.00 C ATOM 445 O TYR A 35 -2.155 4.631 6.569 1.00 0.00 O ATOM 446 CB TYR A 35 -4.371 6.609 5.331 1.00 0.00 C ATOM 447 CG TYR A 35 -4.226 8.017 4.812 1.00 0.00 C ATOM 448 CD1 TYR A 35 -3.448 8.940 5.517 1.00 0.00 C ATOM 449 CD2 TYR A 35 -4.858 8.397 3.622 1.00 0.00 C ATOM 450 CE1 TYR A 35 -3.299 10.244 5.036 1.00 0.00 C ATOM 451 CE2 TYR A 35 -4.713 9.703 3.140 1.00 0.00 C ATOM 452 CZ TYR A 35 -3.933 10.627 3.847 1.00 0.00 C ATOM 453 OH TYR A 35 -3.786 11.913 3.371 1.00 0.00 O ATOM 0 H TYR A 35 -4.644 5.645 3.155 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.308 6.321 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.338 6.197 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.334 6.602 6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.961 8.645 6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.457 7.683 3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.696 10.955 5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.202 9.998 2.224 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.290 12.012 2.536 1.00 0.00 H new ATOM 463 N GLN A 36 -3.592 3.445 5.394 1.00 0.00 N ATOM 464 CA GLN A 36 -3.357 2.229 6.228 1.00 0.00 C ATOM 465 C GLN A 36 -1.954 1.672 5.962 1.00 0.00 C ATOM 466 O GLN A 36 -1.347 1.066 6.825 1.00 0.00 O ATOM 467 CB GLN A 36 -4.419 1.224 5.779 1.00 0.00 C ATOM 468 CG GLN A 36 -5.813 1.775 6.087 1.00 0.00 C ATOM 469 CD GLN A 36 -6.280 1.257 7.448 1.00 0.00 C ATOM 470 OE1 GLN A 36 -6.670 0.015 7.558 1.00 0.00 O flip ATOM 471 NE2 GLN A 36 -6.294 1.987 8.419 1.00 0.00 N flip ATOM 0 H GLN A 36 -4.268 3.328 4.639 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.423 2.443 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.322 1.030 4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.272 0.272 6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.792 2.865 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.515 1.471 5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.989 2.957 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.610 1.630 9.321 1.00 0.00 H new ATOM 480 N ILE A 37 -1.444 1.858 4.767 1.00 0.00 N ATOM 481 CA ILE A 37 -0.087 1.319 4.439 1.00 0.00 C ATOM 482 C ILE A 37 0.959 2.431 4.248 1.00 0.00 C ATOM 483 O ILE A 37 2.043 2.172 3.757 1.00 0.00 O ATOM 484 CB ILE A 37 -0.269 0.516 3.145 1.00 0.00 C ATOM 485 CG1 ILE A 37 -0.804 1.428 2.031 1.00 0.00 C ATOM 486 CG2 ILE A 37 -1.254 -0.633 3.386 1.00 0.00 C ATOM 487 CD1 ILE A 37 -0.739 0.696 0.686 1.00 0.00 C ATOM 0 H ILE A 37 -1.907 2.358 4.008 1.00 0.00 H new ATOM 0 HA ILE A 37 0.291 0.707 5.258 1.00 0.00 H new ATOM 0 HB ILE A 37 0.695 0.110 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.832 1.718 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.217 2.345 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.382 -1.202 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.866 -1.288 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.216 -0.228 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.120 1.347 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.295 0.428 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.346 -0.208 0.734 1.00 0.00 H new ATOM 499 N GLU A 38 0.669 3.654 4.637 1.00 0.00 N ATOM 500 CA GLU A 38 1.687 4.747 4.476 1.00 0.00 C ATOM 501 C GLU A 38 2.962 4.420 5.257 1.00 0.00 C ATOM 502 O GLU A 38 4.058 4.699 4.809 1.00 0.00 O ATOM 503 CB GLU A 38 1.053 6.027 5.029 1.00 0.00 C ATOM 504 CG GLU A 38 0.120 6.646 3.984 1.00 0.00 C ATOM 505 CD GLU A 38 -0.505 7.941 4.533 1.00 0.00 C ATOM 506 OE1 GLU A 38 -0.362 8.202 5.719 1.00 0.00 O ATOM 507 OE2 GLU A 38 -1.124 8.647 3.755 1.00 0.00 O ATOM 0 H GLU A 38 -0.217 3.940 5.054 1.00 0.00 H new ATOM 0 HA GLU A 38 1.964 4.860 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.495 5.802 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.832 6.740 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.675 6.860 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.665 5.937 3.721 1.00 0.00 H new ATOM 514 N HIS A 39 2.828 3.843 6.424 1.00 0.00 N ATOM 515 CA HIS A 39 4.036 3.511 7.241 1.00 0.00 C ATOM 516 C HIS A 39 4.428 2.034 7.079 1.00 0.00 C ATOM 517 O HIS A 39 5.507 1.633 7.471 1.00 0.00 O ATOM 518 CB HIS A 39 3.622 3.805 8.683 1.00 0.00 C ATOM 519 CG HIS A 39 3.324 5.272 8.828 1.00 0.00 C ATOM 520 ND1 HIS A 39 2.070 5.740 9.194 1.00 0.00 N ATOM 521 CD2 HIS A 39 4.103 6.386 8.650 1.00 0.00 C ATOM 522 CE1 HIS A 39 2.134 7.084 9.225 1.00 0.00 C ATOM 523 NE2 HIS A 39 3.351 7.531 8.902 1.00 0.00 N ATOM 0 H HIS A 39 1.936 3.587 6.847 1.00 0.00 H new ATOM 0 HA HIS A 39 4.907 4.089 6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.744 3.216 8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.419 3.515 9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.143 6.377 8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.302 7.724 9.480 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.662 8.501 8.851 1.00 0.00 H new ATOM 531 N TYR A 40 3.566 1.224 6.512 1.00 0.00 N ATOM 532 CA TYR A 40 3.900 -0.225 6.333 1.00 0.00 C ATOM 533 C TYR A 40 5.155 -0.385 5.467 1.00 0.00 C ATOM 534 O TYR A 40 5.345 0.319 4.494 1.00 0.00 O ATOM 535 CB TYR A 40 2.682 -0.839 5.640 1.00 0.00 C ATOM 536 CG TYR A 40 1.674 -1.264 6.681 1.00 0.00 C ATOM 537 CD1 TYR A 40 1.044 -0.303 7.482 1.00 0.00 C ATOM 538 CD2 TYR A 40 1.375 -2.621 6.849 1.00 0.00 C ATOM 539 CE1 TYR A 40 0.114 -0.701 8.450 1.00 0.00 C ATOM 540 CE2 TYR A 40 0.446 -3.018 7.819 1.00 0.00 C ATOM 541 CZ TYR A 40 -0.184 -2.059 8.618 1.00 0.00 C ATOM 542 OH TYR A 40 -1.100 -2.451 9.574 1.00 0.00 O ATOM 0 H TYR A 40 2.648 1.503 6.166 1.00 0.00 H new ATOM 0 HA TYR A 40 4.112 -0.714 7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.234 -0.116 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.985 -1.697 5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.275 0.744 7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.860 -3.362 6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.374 0.039 9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.216 -4.065 7.950 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.191 -3.427 9.559 1.00 0.00 H new ATOM 552 N SER A 41 6.011 -1.312 5.821 1.00 0.00 N ATOM 553 CA SER A 41 7.261 -1.540 5.034 1.00 0.00 C ATOM 554 C SER A 41 7.093 -2.765 4.134 1.00 0.00 C ATOM 555 O SER A 41 6.043 -3.375 4.104 1.00 0.00 O ATOM 556 CB SER A 41 8.350 -1.785 6.077 1.00 0.00 C ATOM 557 OG SER A 41 8.861 -0.537 6.525 1.00 0.00 O ATOM 0 H SER A 41 5.895 -1.925 6.628 1.00 0.00 H new ATOM 0 HA SER A 41 7.504 -0.697 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.944 -2.348 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.152 -2.386 5.648 1.00 0.00 H new ATOM 0 HG SER A 41 9.559 -0.691 7.196 1.00 0.00 H new ATOM 563 N MET A 42 8.114 -3.123 3.397 1.00 0.00 N ATOM 564 CA MET A 42 8.008 -4.312 2.491 1.00 0.00 C ATOM 565 C MET A 42 7.774 -5.591 3.305 1.00 0.00 C ATOM 566 O MET A 42 7.003 -6.449 2.918 1.00 0.00 O ATOM 567 CB MET A 42 9.353 -4.381 1.764 1.00 0.00 C ATOM 568 CG MET A 42 9.467 -3.201 0.797 1.00 0.00 C ATOM 569 SD MET A 42 11.056 -3.277 -0.065 1.00 0.00 S ATOM 570 CE MET A 42 10.689 -4.728 -1.080 1.00 0.00 C ATOM 0 H MET A 42 9.015 -2.646 3.382 1.00 0.00 H new ATOM 0 HA MET A 42 7.171 -4.222 1.798 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.170 -4.356 2.485 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.437 -5.322 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.649 -3.227 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.382 -2.261 1.342 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.239 -4.664 -2.019 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.986 -5.630 -0.546 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.620 -4.765 -1.288 1.00 0.00 H new ATOM 580 N ASP A 43 8.435 -5.721 4.428 1.00 0.00 N ATOM 581 CA ASP A 43 8.260 -6.944 5.276 1.00 0.00 C ATOM 582 C ASP A 43 6.843 -6.983 5.858 1.00 0.00 C ATOM 583 O ASP A 43 6.217 -8.022 5.935 1.00 0.00 O ATOM 584 CB ASP A 43 9.297 -6.810 6.398 1.00 0.00 C ATOM 585 CG ASP A 43 10.714 -6.992 5.835 1.00 0.00 C ATOM 586 OD1 ASP A 43 10.843 -7.547 4.753 1.00 0.00 O ATOM 587 OD2 ASP A 43 11.649 -6.579 6.501 1.00 0.00 O ATOM 0 H ASP A 43 9.090 -5.032 4.796 1.00 0.00 H new ATOM 0 HA ASP A 43 8.398 -7.862 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.208 -5.832 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.106 -7.555 7.170 1.00 0.00 H new ATOM 592 N ASP A 44 6.346 -5.849 6.266 1.00 0.00 N ATOM 593 CA ASP A 44 4.970 -5.781 6.851 1.00 0.00 C ATOM 594 C ASP A 44 3.920 -6.166 5.804 1.00 0.00 C ATOM 595 O ASP A 44 2.899 -6.748 6.118 1.00 0.00 O ATOM 596 CB ASP A 44 4.783 -4.320 7.271 1.00 0.00 C ATOM 597 CG ASP A 44 5.676 -3.996 8.475 1.00 0.00 C ATOM 598 OD1 ASP A 44 6.075 -4.920 9.166 1.00 0.00 O ATOM 599 OD2 ASP A 44 5.939 -2.824 8.688 1.00 0.00 O ATOM 0 H ASP A 44 6.836 -4.956 6.220 1.00 0.00 H new ATOM 0 HA ASP A 44 4.853 -6.469 7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.029 -3.661 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.739 -4.138 7.524 1.00 0.00 H new ATOM 604 N LEU A 45 4.161 -5.827 4.565 1.00 0.00 N ATOM 605 CA LEU A 45 3.178 -6.147 3.482 1.00 0.00 C ATOM 606 C LEU A 45 3.102 -7.658 3.227 1.00 0.00 C ATOM 607 O LEU A 45 2.113 -8.149 2.716 1.00 0.00 O ATOM 608 CB LEU A 45 3.695 -5.414 2.242 1.00 0.00 C ATOM 609 CG LEU A 45 2.676 -5.545 1.110 1.00 0.00 C ATOM 610 CD1 LEU A 45 1.396 -4.794 1.485 1.00 0.00 C ATOM 611 CD2 LEU A 45 3.260 -4.947 -0.169 1.00 0.00 C ATOM 0 H LEU A 45 5.001 -5.339 4.253 1.00 0.00 H new ATOM 0 HA LEU A 45 2.169 -5.835 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.865 -4.362 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.653 -5.831 1.933 1.00 0.00 H new ATOM 0 HG LEU A 45 2.445 -6.598 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.670 -4.887 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.980 -5.218 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.626 -3.741 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.535 -5.039 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.490 -3.894 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.172 -5.481 -0.437 1.00 0.00 H new ATOM 623 N ALA A 46 4.129 -8.403 3.573 1.00 0.00 N ATOM 624 CA ALA A 46 4.094 -9.887 3.338 1.00 0.00 C ATOM 625 C ALA A 46 2.884 -10.499 4.054 1.00 0.00 C ATOM 626 O ALA A 46 2.159 -11.294 3.489 1.00 0.00 O ATOM 627 CB ALA A 46 5.396 -10.426 3.932 1.00 0.00 C ATOM 0 H ALA A 46 4.984 -8.052 4.005 1.00 0.00 H new ATOM 0 HA ALA A 46 4.004 -10.134 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.438 -11.507 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.245 -9.963 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.435 -10.193 4.996 1.00 0.00 H new ATOM 633 N SER A 47 2.657 -10.128 5.294 1.00 0.00 N ATOM 634 CA SER A 47 1.485 -10.678 6.059 1.00 0.00 C ATOM 635 C SER A 47 0.192 -10.537 5.237 1.00 0.00 C ATOM 636 O SER A 47 -0.759 -11.269 5.425 1.00 0.00 O ATOM 637 CB SER A 47 1.403 -9.827 7.327 1.00 0.00 C ATOM 638 OG SER A 47 0.420 -10.373 8.197 1.00 0.00 O ATOM 0 H SER A 47 3.234 -9.466 5.812 1.00 0.00 H new ATOM 0 HA SER A 47 1.605 -11.738 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.372 -9.802 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.149 -8.798 7.072 1.00 0.00 H new ATOM 0 HG SER A 47 0.366 -9.830 9.011 1.00 0.00 H new ATOM 644 N LEU A 48 0.162 -9.592 4.327 1.00 0.00 N ATOM 645 CA LEU A 48 -1.052 -9.377 3.476 1.00 0.00 C ATOM 646 C LEU A 48 -1.186 -10.449 2.372 1.00 0.00 C ATOM 647 O LEU A 48 -2.029 -10.333 1.510 1.00 0.00 O ATOM 648 CB LEU A 48 -0.839 -8.002 2.847 1.00 0.00 C ATOM 649 CG LEU A 48 -2.158 -7.225 2.838 1.00 0.00 C ATOM 650 CD1 LEU A 48 -1.867 -5.728 2.711 1.00 0.00 C ATOM 651 CD2 LEU A 48 -3.018 -7.685 1.652 1.00 0.00 C ATOM 0 H LEU A 48 0.935 -8.954 4.136 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.965 -9.444 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.085 -7.449 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.464 -8.112 1.829 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.696 -7.412 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.806 -5.174 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.259 -5.403 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.328 -5.540 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.957 -7.131 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.482 -7.500 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.226 -8.751 1.745 1.00 0.00 H new ATOM 663 N LYS A 49 -0.361 -11.482 2.395 1.00 0.00 N ATOM 664 CA LYS A 49 -0.410 -12.596 1.373 1.00 0.00 C ATOM 665 C LYS A 49 0.060 -12.142 -0.011 1.00 0.00 C ATOM 666 O LYS A 49 -0.030 -12.892 -0.966 1.00 0.00 O ATOM 667 CB LYS A 49 -1.866 -13.093 1.313 1.00 0.00 C ATOM 668 CG LYS A 49 -2.273 -13.641 2.680 1.00 0.00 C ATOM 669 CD LYS A 49 -3.734 -14.091 2.634 1.00 0.00 C ATOM 670 CE LYS A 49 -4.136 -14.660 3.996 1.00 0.00 C ATOM 671 NZ LYS A 49 -3.606 -16.052 3.995 1.00 0.00 N ATOM 0 H LYS A 49 0.366 -11.602 3.101 1.00 0.00 H new ATOM 0 HA LYS A 49 0.270 -13.393 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.529 -12.277 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.966 -13.869 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.632 -14.479 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.141 -12.876 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.377 -13.249 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.869 -14.845 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.710 -14.075 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.218 -14.648 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.397 -16.725 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.984 -16.186 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.066 -16.219 4.868 1.00 0.00 H new ATOM 685 N ILE A 50 0.604 -10.957 -0.133 1.00 0.00 N ATOM 686 CA ILE A 50 1.125 -10.510 -1.462 1.00 0.00 C ATOM 687 C ILE A 50 2.496 -11.165 -1.712 1.00 0.00 C ATOM 688 O ILE A 50 3.316 -11.221 -0.814 1.00 0.00 O ATOM 689 CB ILE A 50 1.243 -8.983 -1.354 1.00 0.00 C ATOM 690 CG1 ILE A 50 -0.157 -8.379 -1.215 1.00 0.00 C ATOM 691 CG2 ILE A 50 1.910 -8.415 -2.611 1.00 0.00 C ATOM 692 CD1 ILE A 50 -0.075 -7.066 -0.435 1.00 0.00 C ATOM 0 H ILE A 50 0.710 -10.283 0.625 1.00 0.00 H new ATOM 0 HA ILE A 50 0.479 -10.792 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 50 1.848 -8.733 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.587 -8.202 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.816 -9.078 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.988 -7.331 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.906 -8.843 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.310 -8.666 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.073 -6.638 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.337 -7.257 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.570 -6.366 -0.967 1.00 0.00 H new ATOM 704 N PRO A 51 2.709 -11.630 -2.922 1.00 0.00 N ATOM 705 CA PRO A 51 4.029 -12.261 -3.218 1.00 0.00 C ATOM 706 C PRO A 51 5.116 -11.179 -3.266 1.00 0.00 C ATOM 707 O PRO A 51 4.813 -10.002 -3.230 1.00 0.00 O ATOM 708 CB PRO A 51 3.836 -12.910 -4.583 1.00 0.00 C ATOM 709 CG PRO A 51 2.733 -12.138 -5.224 1.00 0.00 C ATOM 710 CD PRO A 51 1.850 -11.624 -4.118 1.00 0.00 C ATOM 0 HA PRO A 51 4.341 -12.985 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.749 -12.861 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.576 -13.964 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.133 -11.312 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.166 -12.771 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.483 -10.621 -4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.976 -12.260 -3.981 1.00 0.00 H new ATOM 718 N GLU A 52 6.375 -11.553 -3.345 1.00 0.00 N ATOM 719 CA GLU A 52 7.466 -10.524 -3.388 1.00 0.00 C ATOM 720 C GLU A 52 7.394 -9.703 -4.677 1.00 0.00 C ATOM 721 O GLU A 52 7.788 -8.551 -4.710 1.00 0.00 O ATOM 722 CB GLU A 52 8.780 -11.310 -3.334 1.00 0.00 C ATOM 723 CG GLU A 52 8.957 -11.925 -1.941 1.00 0.00 C ATOM 724 CD GLU A 52 10.142 -12.905 -1.936 1.00 0.00 C ATOM 725 OE1 GLU A 52 10.768 -13.073 -2.972 1.00 0.00 O ATOM 726 OE2 GLU A 52 10.405 -13.471 -0.887 1.00 0.00 O ATOM 0 H GLU A 52 6.692 -12.522 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 52 7.377 -9.820 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.777 -12.094 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.619 -10.651 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.125 -11.137 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.045 -12.445 -1.647 1.00 0.00 H new ATOM 733 N GLN A 53 6.894 -10.283 -5.733 1.00 0.00 N ATOM 734 CA GLN A 53 6.791 -9.539 -7.029 1.00 0.00 C ATOM 735 C GLN A 53 5.900 -8.299 -6.843 1.00 0.00 C ATOM 736 O GLN A 53 6.077 -7.286 -7.499 1.00 0.00 O ATOM 737 CB GLN A 53 6.159 -10.552 -8.007 1.00 0.00 C ATOM 738 CG GLN A 53 5.627 -9.839 -9.257 1.00 0.00 C ATOM 739 CD GLN A 53 5.743 -10.762 -10.470 1.00 0.00 C ATOM 740 OE1 GLN A 53 6.684 -11.523 -10.583 1.00 0.00 O ATOM 741 NE2 GLN A 53 4.815 -10.731 -11.386 1.00 0.00 N ATOM 0 H GLN A 53 6.550 -11.243 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 53 7.751 -9.177 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.900 -11.298 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.347 -11.084 -7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.587 -9.550 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.190 -8.922 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.026 -10.092 -11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.879 -11.346 -12.198 1.00 0.00 H new ATOM 750 N PHE A 54 4.974 -8.369 -5.931 1.00 0.00 N ATOM 751 CA PHE A 54 4.087 -7.204 -5.665 1.00 0.00 C ATOM 752 C PHE A 54 4.516 -6.460 -4.390 1.00 0.00 C ATOM 753 O PHE A 54 4.057 -5.366 -4.136 1.00 0.00 O ATOM 754 CB PHE A 54 2.688 -7.800 -5.528 1.00 0.00 C ATOM 755 CG PHE A 54 2.109 -7.994 -6.911 1.00 0.00 C ATOM 756 CD1 PHE A 54 2.370 -9.170 -7.624 1.00 0.00 C ATOM 757 CD2 PHE A 54 1.322 -6.988 -7.485 1.00 0.00 C ATOM 758 CE1 PHE A 54 1.843 -9.342 -8.909 1.00 0.00 C ATOM 759 CE2 PHE A 54 0.795 -7.160 -8.771 1.00 0.00 C ATOM 760 CZ PHE A 54 1.056 -8.337 -9.483 1.00 0.00 C ATOM 0 H PHE A 54 4.792 -9.190 -5.353 1.00 0.00 H new ATOM 0 HA PHE A 54 4.131 -6.462 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.733 -8.752 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.051 -7.139 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.979 -9.945 -7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.122 -6.080 -6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.044 -10.250 -9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.187 -6.385 -9.214 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.650 -8.469 -10.475 1.00 0.00 H new ATOM 770 N ARG A 55 5.392 -7.032 -3.586 1.00 0.00 N ATOM 771 CA ARG A 55 5.833 -6.317 -2.344 1.00 0.00 C ATOM 772 C ARG A 55 6.739 -5.131 -2.690 1.00 0.00 C ATOM 773 O ARG A 55 6.578 -4.049 -2.157 1.00 0.00 O ATOM 774 CB ARG A 55 6.606 -7.336 -1.499 1.00 0.00 C ATOM 775 CG ARG A 55 5.630 -8.194 -0.689 1.00 0.00 C ATOM 776 CD ARG A 55 6.359 -8.802 0.512 1.00 0.00 C ATOM 777 NE ARG A 55 7.232 -9.867 -0.052 1.00 0.00 N ATOM 778 CZ ARG A 55 7.016 -11.116 0.257 1.00 0.00 C ATOM 779 NH1 ARG A 55 5.902 -11.694 -0.102 1.00 0.00 N ATOM 780 NH2 ARG A 55 7.911 -11.784 0.931 1.00 0.00 N ATOM 0 H ARG A 55 5.813 -7.949 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 55 4.972 -5.922 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.212 -7.972 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.291 -6.819 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.791 -7.587 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.218 -8.985 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.947 -8.049 1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.653 -9.214 1.233 1.00 0.00 H new ATOM 0 HE ARG A 55 7.998 -9.621 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.200 -11.169 -0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.733 -12.670 0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.779 -11.330 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.743 -12.761 1.173 1.00 0.00 H new ATOM 794 N HIS A 56 7.698 -5.325 -3.565 1.00 0.00 N ATOM 795 CA HIS A 56 8.616 -4.201 -3.923 1.00 0.00 C ATOM 796 C HIS A 56 7.947 -3.249 -4.919 1.00 0.00 C ATOM 797 O HIS A 56 8.258 -2.073 -4.964 1.00 0.00 O ATOM 798 CB HIS A 56 9.868 -4.854 -4.530 1.00 0.00 C ATOM 799 CG HIS A 56 9.521 -5.626 -5.777 1.00 0.00 C ATOM 800 ND1 HIS A 56 9.084 -5.005 -6.938 1.00 0.00 N ATOM 801 CD2 HIS A 56 9.572 -6.968 -6.069 1.00 0.00 C ATOM 802 CE1 HIS A 56 8.893 -5.962 -7.864 1.00 0.00 C ATOM 803 NE2 HIS A 56 9.175 -7.177 -7.387 1.00 0.00 N ATOM 0 H HIS A 56 7.882 -6.207 -4.043 1.00 0.00 H new ATOM 0 HA HIS A 56 8.872 -3.600 -3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.605 -4.087 -4.766 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.325 -5.522 -3.800 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.935 -4.004 -7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.874 -7.743 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.553 -5.771 -8.871 1.00 0.00 H new ATOM 811 N ALA A 57 7.033 -3.745 -5.717 1.00 0.00 N ATOM 812 CA ALA A 57 6.350 -2.859 -6.710 1.00 0.00 C ATOM 813 C ALA A 57 5.367 -1.907 -6.013 1.00 0.00 C ATOM 814 O ALA A 57 5.331 -0.726 -6.303 1.00 0.00 O ATOM 815 CB ALA A 57 5.603 -3.808 -7.648 1.00 0.00 C ATOM 0 H ALA A 57 6.732 -4.719 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 57 7.062 -2.230 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.076 -3.229 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.315 -4.477 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.885 -4.395 -7.075 1.00 0.00 H new ATOM 821 N ILE A 58 4.581 -2.409 -5.091 1.00 0.00 N ATOM 822 CA ILE A 58 3.602 -1.530 -4.373 1.00 0.00 C ATOM 823 C ILE A 58 4.333 -0.593 -3.406 1.00 0.00 C ATOM 824 O ILE A 58 4.027 0.581 -3.317 1.00 0.00 O ATOM 825 CB ILE A 58 2.672 -2.480 -3.605 1.00 0.00 C ATOM 826 CG1 ILE A 58 1.959 -3.410 -4.592 1.00 0.00 C ATOM 827 CG2 ILE A 58 1.626 -1.668 -2.832 1.00 0.00 C ATOM 828 CD1 ILE A 58 1.125 -4.437 -3.820 1.00 0.00 C ATOM 0 H ILE A 58 4.574 -3.388 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 58 3.045 -0.899 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 58 3.264 -3.071 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.317 -2.830 -5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.690 -3.919 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.968 -2.346 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.128 -1.006 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.037 -1.074 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.619 -5.098 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.778 -5.026 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.384 -3.920 -3.210 1.00 0.00 H new ATOM 840 N TRP A 59 5.288 -1.110 -2.677 1.00 0.00 N ATOM 841 CA TRP A 59 6.039 -0.261 -1.702 1.00 0.00 C ATOM 842 C TRP A 59 6.739 0.893 -2.422 1.00 0.00 C ATOM 843 O TRP A 59 6.805 1.996 -1.922 1.00 0.00 O ATOM 844 CB TRP A 59 7.066 -1.191 -1.052 1.00 0.00 C ATOM 845 CG TRP A 59 7.667 -0.502 0.131 1.00 0.00 C ATOM 846 CD1 TRP A 59 6.998 -0.187 1.264 1.00 0.00 C ATOM 847 CD2 TRP A 59 9.036 -0.037 0.320 1.00 0.00 C ATOM 848 NE1 TRP A 59 7.867 0.440 2.136 1.00 0.00 N ATOM 849 CE2 TRP A 59 9.134 0.556 1.602 1.00 0.00 C ATOM 850 CE3 TRP A 59 10.189 -0.071 -0.483 1.00 0.00 C ATOM 851 CZ2 TRP A 59 10.332 1.096 2.069 1.00 0.00 C ATOM 852 CZ3 TRP A 59 11.397 0.471 -0.016 1.00 0.00 C ATOM 853 CH2 TRP A 59 11.468 1.053 1.258 1.00 0.00 C ATOM 0 H TRP A 59 5.581 -2.086 -2.714 1.00 0.00 H new ATOM 0 HA TRP A 59 5.375 0.186 -0.962 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.589 -2.121 -0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.843 -1.454 -1.770 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.955 -0.392 1.455 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.604 0.776 3.062 1.00 0.00 H new ATOM 0 HE3 TRP A 59 10.145 -0.517 -1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.381 1.544 3.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 12.277 0.440 -0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 59 12.400 1.468 1.612 1.00 0.00 H new ATOM 864 N LYS A 60 7.282 0.633 -3.582 1.00 0.00 N ATOM 865 CA LYS A 60 8.006 1.703 -4.339 1.00 0.00 C ATOM 866 C LYS A 60 7.077 2.885 -4.661 1.00 0.00 C ATOM 867 O LYS A 60 7.482 4.030 -4.593 1.00 0.00 O ATOM 868 CB LYS A 60 8.477 1.025 -5.631 1.00 0.00 C ATOM 869 CG LYS A 60 9.287 2.017 -6.469 1.00 0.00 C ATOM 870 CD LYS A 60 9.756 1.337 -7.758 1.00 0.00 C ATOM 871 CE LYS A 60 10.398 2.377 -8.682 1.00 0.00 C ATOM 872 NZ LYS A 60 11.752 2.631 -8.112 1.00 0.00 N ATOM 0 H LYS A 60 7.256 -0.277 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 60 8.833 2.114 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.086 0.152 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.618 0.669 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.679 2.890 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.146 2.373 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.473 0.550 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.912 0.862 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.466 2.006 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.807 3.292 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.875 3.651 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.849 2.125 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.477 2.295 -8.777 1.00 0.00 H new ATOM 886 N GLY A 61 5.847 2.620 -5.023 1.00 0.00 N ATOM 887 CA GLY A 61 4.901 3.729 -5.364 1.00 0.00 C ATOM 888 C GLY A 61 4.448 4.466 -4.099 1.00 0.00 C ATOM 889 O GLY A 61 4.181 5.654 -4.131 1.00 0.00 O ATOM 0 H GLY A 61 5.455 1.681 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.385 4.429 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.033 3.325 -5.886 1.00 0.00 H new ATOM 893 N ILE A 62 4.346 3.774 -2.994 1.00 0.00 N ATOM 894 CA ILE A 62 3.891 4.436 -1.729 1.00 0.00 C ATOM 895 C ILE A 62 4.951 5.421 -1.218 1.00 0.00 C ATOM 896 O ILE A 62 4.624 6.495 -0.745 1.00 0.00 O ATOM 897 CB ILE A 62 3.674 3.287 -0.733 1.00 0.00 C ATOM 898 CG1 ILE A 62 2.544 2.390 -1.246 1.00 0.00 C ATOM 899 CG2 ILE A 62 3.286 3.850 0.640 1.00 0.00 C ATOM 900 CD1 ILE A 62 2.554 1.065 -0.481 1.00 0.00 C ATOM 0 H ILE A 62 4.557 2.780 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 62 2.982 5.020 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 62 4.596 2.713 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.583 2.889 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.668 2.206 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.134 3.029 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.083 4.497 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.365 4.425 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.749 0.427 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.511 0.565 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.409 1.258 0.582 1.00 0.00 H new ATOM 912 N LEU A 63 6.212 5.071 -1.303 1.00 0.00 N ATOM 913 CA LEU A 63 7.282 5.995 -0.816 1.00 0.00 C ATOM 914 C LEU A 63 7.221 7.315 -1.610 1.00 0.00 C ATOM 915 O LEU A 63 7.309 8.390 -1.049 1.00 0.00 O ATOM 916 CB LEU A 63 8.611 5.191 -0.974 1.00 0.00 C ATOM 917 CG LEU A 63 9.543 5.754 -2.063 1.00 0.00 C ATOM 918 CD1 LEU A 63 10.179 7.063 -1.578 1.00 0.00 C ATOM 919 CD2 LEU A 63 10.645 4.731 -2.356 1.00 0.00 C ATOM 0 H LEU A 63 6.545 4.187 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 63 7.176 6.301 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.140 5.187 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.373 4.154 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 63 8.968 5.950 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.837 7.457 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.396 7.790 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.756 6.874 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.309 5.122 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.216 4.541 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.195 3.801 -2.703 1.00 0.00 H new ATOM 931 N ASP A 64 7.081 7.232 -2.909 1.00 0.00 N ATOM 932 CA ASP A 64 7.024 8.468 -3.752 1.00 0.00 C ATOM 933 C ASP A 64 5.859 9.356 -3.309 1.00 0.00 C ATOM 934 O ASP A 64 5.964 10.568 -3.289 1.00 0.00 O ATOM 935 CB ASP A 64 6.800 7.964 -5.181 1.00 0.00 C ATOM 936 CG ASP A 64 8.065 7.261 -5.684 1.00 0.00 C ATOM 937 OD1 ASP A 64 9.144 7.648 -5.264 1.00 0.00 O ATOM 938 OD2 ASP A 64 7.932 6.343 -6.477 1.00 0.00 O ATOM 0 H ASP A 64 7.003 6.356 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 64 7.931 9.067 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.955 7.276 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.551 8.798 -5.837 1.00 0.00 H new ATOM 943 N HIS A 65 4.752 8.757 -2.951 1.00 0.00 N ATOM 944 CA HIS A 65 3.560 9.550 -2.497 1.00 0.00 C ATOM 945 C HIS A 65 3.962 10.567 -1.415 1.00 0.00 C ATOM 946 O HIS A 65 3.351 11.607 -1.271 1.00 0.00 O ATOM 947 CB HIS A 65 2.592 8.510 -1.925 1.00 0.00 C ATOM 948 CG HIS A 65 1.297 9.173 -1.546 1.00 0.00 C ATOM 949 ND1 HIS A 65 0.446 9.728 -2.489 1.00 0.00 N ATOM 950 CD2 HIS A 65 0.689 9.369 -0.331 1.00 0.00 C ATOM 951 CE1 HIS A 65 -0.618 10.227 -1.831 1.00 0.00 C ATOM 952 NE2 HIS A 65 -0.521 10.034 -0.513 1.00 0.00 N ATOM 0 H HIS A 65 4.618 7.746 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 65 3.116 10.123 -3.311 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.408 7.727 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.034 8.030 -1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.089 9.055 0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.449 10.723 -2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.189 10.313 0.205 1.00 0.00 H new ATOM 960 N ARG A 66 4.987 10.264 -0.656 1.00 0.00 N ATOM 961 CA ARG A 66 5.439 11.206 0.419 1.00 0.00 C ATOM 962 C ARG A 66 6.070 12.461 -0.171 1.00 0.00 C ATOM 963 O ARG A 66 5.890 13.555 0.332 1.00 0.00 O ATOM 964 CB ARG A 66 6.529 10.456 1.182 1.00 0.00 C ATOM 965 CG ARG A 66 5.930 9.312 1.981 1.00 0.00 C ATOM 966 CD ARG A 66 7.056 8.592 2.727 1.00 0.00 C ATOM 967 NE ARG A 66 6.421 7.405 3.361 1.00 0.00 N ATOM 968 CZ ARG A 66 7.164 6.402 3.745 1.00 0.00 C ATOM 969 NH1 ARG A 66 8.180 6.610 4.539 1.00 0.00 N ATOM 970 NH2 ARG A 66 6.897 5.195 3.331 1.00 0.00 N ATOM 0 H ARG A 66 5.531 9.405 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 66 4.594 11.508 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.270 10.069 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.049 11.141 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.191 9.691 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.412 8.619 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.851 8.293 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.508 9.242 3.476 1.00 0.00 H new ATOM 0 HE ARG A 66 5.410 7.375 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.392 7.555 4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.761 5.827 4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.107 5.033 2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.478 4.412 3.632 1.00 0.00 H new ATOM 984 N GLN A 67 6.853 12.299 -1.201 1.00 0.00 N ATOM 985 CA GLN A 67 7.561 13.466 -1.798 1.00 0.00 C ATOM 986 C GLN A 67 6.602 14.491 -2.417 1.00 0.00 C ATOM 987 O GLN A 67 6.817 15.683 -2.291 1.00 0.00 O ATOM 988 CB GLN A 67 8.490 12.877 -2.862 1.00 0.00 C ATOM 989 CG GLN A 67 9.623 12.109 -2.178 1.00 0.00 C ATOM 990 CD GLN A 67 10.556 11.518 -3.236 1.00 0.00 C ATOM 991 OE1 GLN A 67 11.759 11.672 -3.156 1.00 0.00 O ATOM 992 NE2 GLN A 67 10.050 10.837 -4.227 1.00 0.00 N ATOM 0 H GLN A 67 7.034 11.405 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 67 8.104 14.016 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.931 12.212 -3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.899 13.673 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.180 12.774 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.213 11.314 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.040 10.708 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.664 10.434 -4.935 1.00 0.00 H new ATOM 1001 N LEU A 68 5.561 14.058 -3.085 1.00 0.00 N ATOM 1002 CA LEU A 68 4.619 15.045 -3.705 1.00 0.00 C ATOM 1003 C LEU A 68 3.745 15.721 -2.636 1.00 0.00 C ATOM 1004 O LEU A 68 3.196 16.783 -2.861 1.00 0.00 O ATOM 1005 CB LEU A 68 3.768 14.251 -4.705 1.00 0.00 C ATOM 1006 CG LEU A 68 2.923 13.200 -3.980 1.00 0.00 C ATOM 1007 CD1 LEU A 68 1.587 13.819 -3.568 1.00 0.00 C ATOM 1008 CD2 LEU A 68 2.668 12.023 -4.924 1.00 0.00 C ATOM 0 H LEU A 68 5.323 13.076 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 68 5.159 15.849 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.118 14.930 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.415 13.765 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 68 3.451 12.852 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.984 13.072 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.767 14.663 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.056 14.163 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.067 11.271 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.136 12.374 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.620 11.584 -5.224 1.00 0.00 H new ATOM 1020 N HIS A 69 3.615 15.117 -1.480 1.00 0.00 N ATOM 1021 CA HIS A 69 2.780 15.727 -0.399 1.00 0.00 C ATOM 1022 C HIS A 69 3.606 16.755 0.381 1.00 0.00 C ATOM 1023 O HIS A 69 4.521 16.405 1.103 1.00 0.00 O ATOM 1024 CB HIS A 69 2.385 14.553 0.500 1.00 0.00 C ATOM 1025 CG HIS A 69 1.390 15.012 1.529 1.00 0.00 C ATOM 1026 ND1 HIS A 69 1.753 15.287 2.838 1.00 0.00 N ATOM 1027 CD2 HIS A 69 0.038 15.242 1.458 1.00 0.00 C ATOM 1028 CE1 HIS A 69 0.641 15.663 3.496 1.00 0.00 C ATOM 1029 NE2 HIS A 69 -0.432 15.653 2.702 1.00 0.00 N ATOM 0 H HIS A 69 4.051 14.227 -1.238 1.00 0.00 H new ATOM 0 HA HIS A 69 1.907 16.251 -0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.957 13.751 -0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.269 14.146 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.568 15.122 0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.619 15.939 4.540 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.391 15.895 2.953 1.00 0.00 H new ATOM 1037 N GLU A 70 3.298 18.020 0.231 1.00 0.00 N ATOM 1038 CA GLU A 70 4.075 19.075 0.954 1.00 0.00 C ATOM 1039 C GLU A 70 3.822 18.994 2.462 1.00 0.00 C ATOM 1040 O GLU A 70 2.710 18.778 2.906 1.00 0.00 O ATOM 1041 CB GLU A 70 3.571 20.409 0.397 1.00 0.00 C ATOM 1042 CG GLU A 70 4.462 21.543 0.918 1.00 0.00 C ATOM 1043 CD GLU A 70 4.099 22.870 0.235 1.00 0.00 C ATOM 1044 OE1 GLU A 70 3.318 22.850 -0.706 1.00 0.00 O ATOM 1045 OE2 GLU A 70 4.612 23.889 0.665 1.00 0.00 O ATOM 0 H GLU A 70 2.543 18.368 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 70 5.148 18.955 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.586 20.390 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.537 20.575 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.345 21.639 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.509 21.306 0.731 1.00 0.00 H new ATOM 1052 N PHE A 71 4.854 19.166 3.245 1.00 0.00 N ATOM 1053 CA PHE A 71 4.700 19.104 4.730 1.00 0.00 C ATOM 1054 C PHE A 71 3.846 20.276 5.232 1.00 0.00 C ATOM 1055 O PHE A 71 3.616 21.236 4.524 1.00 0.00 O ATOM 1056 CB PHE A 71 6.132 19.173 5.294 1.00 0.00 C ATOM 1057 CG PHE A 71 6.775 20.513 4.985 1.00 0.00 C ATOM 1058 CD1 PHE A 71 6.627 21.579 5.882 1.00 0.00 C ATOM 1059 CD2 PHE A 71 7.527 20.683 3.816 1.00 0.00 C ATOM 1060 CE1 PHE A 71 7.229 22.813 5.606 1.00 0.00 C ATOM 1061 CE2 PHE A 71 8.126 21.918 3.540 1.00 0.00 C ATOM 1062 CZ PHE A 71 7.977 22.984 4.435 1.00 0.00 C ATOM 0 H PHE A 71 5.803 19.348 2.919 1.00 0.00 H new ATOM 0 HA PHE A 71 4.191 18.195 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.110 19.017 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.734 18.370 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.049 21.449 6.785 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.645 19.860 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.116 23.634 6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.703 22.048 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.438 23.937 4.222 1.00 0.00 H new TER 1072 PHE A 71