USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 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 5 THR OG1 : rot -64:sc= 0.831 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 90:sc= -1.3 USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00237 USER MOD Single : A 41 SER OG : rot 45:sc= 1.2 USER MOD Single : A 46 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.66) USER MOD Single : A 47 THR OG1 : rot 79:sc= 0.733 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00994 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00487 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 97:sc= 1.15 USER MOD Single : A 78 ASN : amide:sc= -9.91! C(o=-9.9!,f=-21!) USER MOD Single : A 80 SER OG : rot -71:sc= -4.06! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.052 11.237 0.712 1.00 0.00 N ATOM 35 CA LEU A 3 65.334 9.985 0.015 1.00 0.00 C ATOM 36 C LEU A 3 66.809 9.619 0.164 1.00 0.00 C ATOM 37 O LEU A 3 67.537 10.237 0.941 1.00 0.00 O ATOM 38 CB LEU A 3 64.961 10.097 -1.469 1.00 0.00 C ATOM 39 CG LEU A 3 65.879 10.967 -2.328 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.770 10.522 -3.788 1.00 0.00 C ATOM 41 CD2 LEU A 3 65.448 12.430 -2.210 1.00 0.00 C ATOM 0 HA LEU A 3 64.729 9.197 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.941 9.094 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 3 63.948 10.493 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 3 66.909 10.863 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.422 11.139 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.070 9.478 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.740 10.632 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.101 13.052 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 3 64.419 12.535 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 3 65.516 12.746 -1.169 1.00 0.00 H new ATOM 53 N LEU A 4 67.243 8.603 -0.577 1.00 0.00 N ATOM 54 CA LEU A 4 68.634 8.161 -0.500 1.00 0.00 C ATOM 55 C LEU A 4 69.244 8.031 -1.900 1.00 0.00 C ATOM 56 O LEU A 4 68.739 8.603 -2.867 1.00 0.00 O ATOM 57 CB LEU A 4 68.727 6.824 0.265 1.00 0.00 C ATOM 58 CG LEU A 4 68.414 5.543 -0.538 1.00 0.00 C ATOM 59 CD1 LEU A 4 69.392 4.431 -0.141 1.00 0.00 C ATOM 60 CD2 LEU A 4 66.977 5.089 -0.248 1.00 0.00 C ATOM 0 H LEU A 4 66.662 8.076 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 4 69.206 8.912 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 4 69.735 6.734 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.044 6.869 1.114 1.00 0.00 H new ATOM 0 HG LEU A 4 68.519 5.753 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.168 3.529 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 4 70.412 4.750 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.293 4.222 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 4 66.759 4.185 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 4 66.868 4.883 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 4 66.281 5.876 -0.538 1.00 0.00 H new ATOM 72 N THR A 5 70.336 7.272 -1.995 1.00 0.00 N ATOM 73 CA THR A 5 71.007 7.074 -3.274 1.00 0.00 C ATOM 74 C THR A 5 71.776 5.758 -3.290 1.00 0.00 C ATOM 75 O THR A 5 71.857 5.047 -2.286 1.00 0.00 O ATOM 76 CB THR A 5 71.984 8.217 -3.538 1.00 0.00 C ATOM 77 OG1 THR A 5 72.746 8.467 -2.365 1.00 0.00 O ATOM 78 CG2 THR A 5 71.199 9.467 -3.915 1.00 0.00 C ATOM 0 H THR A 5 70.769 6.789 -1.208 1.00 0.00 H new ATOM 0 HA THR A 5 70.242 7.050 -4.050 1.00 0.00 H new ATOM 0 HB THR A 5 72.656 7.948 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 5 72.152 8.775 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.891 10.288 -4.105 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.613 9.271 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.531 9.738 -3.097 1.00 0.00 H new ATOM 86 N LEU A 6 72.345 5.452 -4.450 1.00 0.00 N ATOM 87 CA LEU A 6 73.120 4.224 -4.616 1.00 0.00 C ATOM 88 C LEU A 6 74.332 4.233 -3.696 1.00 0.00 C ATOM 89 O LEU A 6 74.640 3.243 -3.035 1.00 0.00 O ATOM 90 CB LEU A 6 73.591 4.084 -6.064 1.00 0.00 C ATOM 91 CG LEU A 6 74.301 2.769 -6.394 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.367 1.594 -6.096 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.679 2.754 -7.877 1.00 0.00 C ATOM 0 H LEU A 6 72.286 6.032 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 6 72.478 3.381 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.728 4.187 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.265 4.910 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 6 75.201 2.680 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 6 73.873 0.658 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.095 1.604 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.466 1.682 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.185 1.818 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 6 73.777 2.843 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.344 3.590 -8.091 1.00 0.00 H new ATOM 105 N SER A 7 75.016 5.370 -3.662 1.00 0.00 N ATOM 106 CA SER A 7 76.204 5.516 -2.820 1.00 0.00 C ATOM 107 C SER A 7 75.867 5.260 -1.352 1.00 0.00 C ATOM 108 O SER A 7 76.706 4.796 -0.579 1.00 0.00 O ATOM 109 CB SER A 7 76.785 6.925 -2.960 1.00 0.00 C ATOM 110 OG SER A 7 77.753 6.931 -4.001 1.00 0.00 O ATOM 0 H SER A 7 74.774 6.201 -4.202 1.00 0.00 H new ATOM 0 HA SER A 7 76.938 4.781 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.991 7.638 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.242 7.238 -2.021 1.00 0.00 H new ATOM 0 HG SER A 7 78.126 7.832 -4.095 1.00 0.00 H new ATOM 116 N ASP A 8 74.629 5.570 -0.977 1.00 0.00 N ATOM 117 CA ASP A 8 74.192 5.373 0.397 1.00 0.00 C ATOM 118 C ASP A 8 74.093 3.887 0.717 1.00 0.00 C ATOM 119 O ASP A 8 74.838 3.364 1.543 1.00 0.00 O ATOM 120 CB ASP A 8 72.825 6.022 0.616 1.00 0.00 C ATOM 121 CG ASP A 8 72.973 7.539 0.599 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.941 8.027 1.156 1.00 0.00 O ATOM 123 OD2 ASP A 8 72.113 8.191 0.029 1.00 0.00 O ATOM 0 H ASP A 8 73.919 5.955 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 8 74.926 5.836 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.131 5.705 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.405 5.698 1.568 1.00 0.00 H new ATOM 128 N LEU A 9 73.160 3.211 0.052 1.00 0.00 N ATOM 129 CA LEU A 9 72.961 1.775 0.275 1.00 0.00 C ATOM 130 C LEU A 9 74.261 0.996 0.070 1.00 0.00 C ATOM 131 O LEU A 9 74.482 -0.044 0.689 1.00 0.00 O ATOM 132 CB LEU A 9 71.903 1.228 -0.687 1.00 0.00 C ATOM 133 CG LEU A 9 71.634 -0.276 -0.572 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.561 -0.525 0.488 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.151 -0.812 -1.922 1.00 0.00 C ATOM 0 H LEU A 9 72.534 3.625 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 9 72.629 1.648 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 9 70.968 1.762 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.214 1.448 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 9 72.553 -0.787 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.371 -1.595 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.904 -0.144 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.642 -0.014 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 9 70.959 -1.882 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.233 -0.300 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.916 -0.637 -2.678 1.00 0.00 H new ATOM 147 N LEU A 10 75.108 1.507 -0.814 1.00 0.00 N ATOM 148 CA LEU A 10 76.380 0.853 -1.115 1.00 0.00 C ATOM 149 C LEU A 10 77.282 0.792 0.119 1.00 0.00 C ATOM 150 O LEU A 10 77.653 -0.288 0.579 1.00 0.00 O ATOM 151 CB LEU A 10 77.098 1.604 -2.244 1.00 0.00 C ATOM 152 CG LEU A 10 77.041 0.935 -3.625 1.00 0.00 C ATOM 153 CD1 LEU A 10 75.599 0.542 -3.971 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.557 1.917 -4.679 1.00 0.00 C ATOM 0 H LEU A 10 74.941 2.368 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 10 76.167 -0.168 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.666 2.602 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.144 1.731 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 10 77.659 0.037 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.576 0.069 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.223 -0.156 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 10 74.972 1.433 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.519 1.448 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.934 2.811 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.586 2.192 -4.447 1.00 0.00 H new ATOM 166 N THR A 11 77.648 1.963 0.634 1.00 0.00 N ATOM 167 CA THR A 11 78.530 2.041 1.803 1.00 0.00 C ATOM 168 C THR A 11 77.988 1.210 2.970 1.00 0.00 C ATOM 169 O THR A 11 78.725 0.489 3.639 1.00 0.00 O ATOM 170 CB THR A 11 78.735 3.516 2.223 1.00 0.00 C ATOM 171 OG1 THR A 11 79.997 3.650 2.859 1.00 0.00 O ATOM 172 CG2 THR A 11 77.634 4.000 3.181 1.00 0.00 C ATOM 0 H THR A 11 77.352 2.867 0.266 1.00 0.00 H new ATOM 0 HA THR A 11 79.497 1.621 1.526 1.00 0.00 H new ATOM 0 HB THR A 11 78.689 4.129 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 11 80.132 4.583 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.817 5.040 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.664 3.917 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.640 3.386 4.082 1.00 0.00 H new ATOM 180 N LEU A 12 76.691 1.332 3.209 1.00 0.00 N ATOM 181 CA LEU A 12 76.063 0.590 4.299 1.00 0.00 C ATOM 182 C LEU A 12 76.210 -0.905 4.062 1.00 0.00 C ATOM 183 O LEU A 12 76.496 -1.674 4.980 1.00 0.00 O ATOM 184 CB LEU A 12 74.579 0.935 4.411 1.00 0.00 C ATOM 185 CG LEU A 12 74.278 2.424 4.554 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.764 2.636 4.623 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.928 2.951 5.835 1.00 0.00 C ATOM 0 H LEU A 12 76.059 1.927 2.674 1.00 0.00 H new ATOM 0 HA LEU A 12 76.561 0.869 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.065 0.558 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.162 0.410 5.270 1.00 0.00 H new ATOM 0 HG LEU A 12 74.678 2.961 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.550 3.700 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.302 2.259 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.360 2.101 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.715 4.015 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.527 2.414 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 12 76.006 2.800 5.784 1.00 0.00 H new ATOM 199 N LEU A 13 76.015 -1.305 2.811 1.00 0.00 N ATOM 200 CA LEU A 13 76.132 -2.713 2.450 1.00 0.00 C ATOM 201 C LEU A 13 77.563 -3.194 2.669 1.00 0.00 C ATOM 202 O LEU A 13 77.798 -4.166 3.387 1.00 0.00 O ATOM 203 CB LEU A 13 75.719 -2.944 0.989 1.00 0.00 C ATOM 204 CG LEU A 13 74.434 -3.760 0.807 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.203 -4.031 -0.680 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.565 -5.093 1.551 1.00 0.00 C ATOM 0 H LEU A 13 75.778 -0.683 2.038 1.00 0.00 H new ATOM 0 HA LEU A 13 75.459 -3.284 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.590 -1.976 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.533 -3.453 0.472 1.00 0.00 H new ATOM 0 HG LEU A 13 73.591 -3.198 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.289 -4.611 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.108 -3.084 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.047 -4.591 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 13 73.651 -5.673 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.410 -5.652 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 13 74.727 -4.903 2.612 1.00 0.00 H new ATOM 218 N ARG A 14 78.518 -2.502 2.053 1.00 0.00 N ATOM 219 CA ARG A 14 79.920 -2.883 2.211 1.00 0.00 C ATOM 220 C ARG A 14 80.338 -2.738 3.671 1.00 0.00 C ATOM 221 O ARG A 14 81.186 -3.483 4.162 1.00 0.00 O ATOM 222 CB ARG A 14 80.846 -2.044 1.320 1.00 0.00 C ATOM 223 CG ARG A 14 80.634 -0.552 1.582 1.00 0.00 C ATOM 224 CD ARG A 14 81.527 -0.085 2.735 1.00 0.00 C ATOM 225 NE ARG A 14 82.186 1.178 2.394 1.00 0.00 N ATOM 226 CZ ARG A 14 82.711 1.985 3.327 1.00 0.00 C ATOM 227 NH1 ARG A 14 82.672 1.669 4.601 1.00 0.00 N ATOM 228 NH2 ARG A 14 83.275 3.104 2.963 1.00 0.00 N ATOM 0 H ARG A 14 78.354 -1.693 1.453 1.00 0.00 H new ATOM 0 HA ARG A 14 80.015 -3.924 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.885 -2.309 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.651 -2.266 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.862 0.019 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.588 -0.363 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 14 80.929 0.042 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.276 -0.846 2.954 1.00 0.00 H new ATOM 0 HE ARG A 14 82.248 1.453 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 14 82.236 0.795 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 14 83.077 2.297 5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 14 83.314 3.358 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 14 83.677 3.725 3.666 1.00 0.00 H new ATOM 242 N GLU A 15 79.717 -1.783 4.373 1.00 0.00 N ATOM 243 CA GLU A 15 80.024 -1.576 5.787 1.00 0.00 C ATOM 244 C GLU A 15 79.684 -2.841 6.572 1.00 0.00 C ATOM 245 O GLU A 15 80.499 -3.358 7.337 1.00 0.00 O ATOM 246 CB GLU A 15 79.217 -0.398 6.348 1.00 0.00 C ATOM 247 CG GLU A 15 79.612 -0.138 7.809 1.00 0.00 C ATOM 248 CD GLU A 15 80.477 1.116 7.896 1.00 0.00 C ATOM 249 OE1 GLU A 15 79.977 2.181 7.573 1.00 0.00 O ATOM 250 OE2 GLU A 15 81.627 0.993 8.286 1.00 0.00 O ATOM 0 H GLU A 15 79.012 -1.153 3.991 1.00 0.00 H new ATOM 0 HA GLU A 15 81.086 -1.352 5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.398 0.495 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.151 -0.614 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.718 -0.017 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.157 -0.995 8.206 1.00 0.00 H new ATOM 257 N CYS A 16 78.471 -3.335 6.354 1.00 0.00 N ATOM 258 CA CYS A 16 78.016 -4.549 7.021 1.00 0.00 C ATOM 259 C CYS A 16 78.808 -5.740 6.507 1.00 0.00 C ATOM 260 O CYS A 16 79.155 -6.652 7.258 1.00 0.00 O ATOM 261 CB CYS A 16 76.537 -4.787 6.738 1.00 0.00 C ATOM 262 SG CYS A 16 75.817 -5.761 8.081 1.00 0.00 S ATOM 0 H CYS A 16 77.787 -2.916 5.723 1.00 0.00 H new ATOM 0 HA CYS A 16 78.166 -4.432 8.094 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.015 -3.834 6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.417 -5.310 5.789 1.00 0.00 H new ATOM 0 HG CYS A 16 75.365 -4.963 9.002 1.00 0.00 H new ATOM 268 N ALA A 17 79.090 -5.712 5.207 1.00 0.00 N ATOM 269 CA ALA A 17 79.849 -6.787 4.565 1.00 0.00 C ATOM 270 C ALA A 17 81.175 -7.030 5.288 1.00 0.00 C ATOM 271 O ALA A 17 81.710 -8.139 5.276 1.00 0.00 O ATOM 272 CB ALA A 17 80.144 -6.432 3.106 1.00 0.00 C ATOM 0 H ALA A 17 78.807 -4.961 4.578 1.00 0.00 H new ATOM 0 HA ALA A 17 79.243 -7.692 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.709 -7.241 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.206 -6.290 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.728 -5.512 3.066 1.00 0.00 H new ATOM 417 N VAL A 29 77.544 -3.528 -9.628 1.00 0.00 N ATOM 418 CA VAL A 29 76.607 -4.436 -8.969 1.00 0.00 C ATOM 419 C VAL A 29 75.330 -3.703 -8.568 1.00 0.00 C ATOM 420 O VAL A 29 74.715 -4.015 -7.546 1.00 0.00 O ATOM 421 CB VAL A 29 77.245 -5.047 -7.720 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.386 -5.979 -8.131 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.796 -3.932 -6.827 1.00 0.00 C ATOM 0 HA VAL A 29 76.358 -5.227 -9.677 1.00 0.00 H new ATOM 0 HB VAL A 29 76.492 -5.613 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.840 -6.414 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 29 77.995 -6.775 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 29 79.138 -5.413 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.250 -4.369 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.547 -3.364 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.984 -3.268 -6.531 1.00 0.00 H new ATOM 433 N GLU A 30 74.935 -2.728 -9.379 1.00 0.00 N ATOM 434 CA GLU A 30 73.730 -1.962 -9.096 1.00 0.00 C ATOM 435 C GLU A 30 72.482 -2.711 -9.575 1.00 0.00 C ATOM 436 O GLU A 30 71.391 -2.543 -9.030 1.00 0.00 O ATOM 437 CB GLU A 30 73.806 -0.592 -9.780 1.00 0.00 C ATOM 438 CG GLU A 30 73.829 -0.760 -11.306 1.00 0.00 C ATOM 439 CD GLU A 30 74.853 0.191 -11.917 1.00 0.00 C ATOM 440 OE1 GLU A 30 76.013 -0.183 -11.985 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.464 1.279 -12.309 1.00 0.00 O ATOM 0 H GLU A 30 75.427 -2.452 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 30 73.659 -1.825 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.950 0.017 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.701 -0.063 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 30 74.077 -1.790 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.840 -0.557 -11.718 1.00 0.00 H new ATOM 448 N ASP A 31 72.662 -3.536 -10.606 1.00 0.00 N ATOM 449 CA ASP A 31 71.555 -4.307 -11.160 1.00 0.00 C ATOM 450 C ASP A 31 71.825 -5.807 -11.040 1.00 0.00 C ATOM 451 O ASP A 31 71.298 -6.609 -11.811 1.00 0.00 O ATOM 452 CB ASP A 31 71.342 -3.951 -12.633 1.00 0.00 C ATOM 453 CG ASP A 31 70.558 -2.648 -12.734 1.00 0.00 C ATOM 454 OD1 ASP A 31 70.820 -1.758 -11.943 1.00 0.00 O ATOM 455 OD2 ASP A 31 69.705 -2.559 -13.602 1.00 0.00 O ATOM 0 H ASP A 31 73.558 -3.686 -11.070 1.00 0.00 H new ATOM 0 HA ASP A 31 70.658 -4.059 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.304 -3.849 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.802 -4.752 -13.137 1.00 0.00 H new ATOM 460 N VAL A 32 72.641 -6.177 -10.054 1.00 0.00 N ATOM 461 CA VAL A 32 72.963 -7.580 -9.826 1.00 0.00 C ATOM 462 C VAL A 32 72.433 -8.004 -8.457 1.00 0.00 C ATOM 463 O VAL A 32 72.553 -7.269 -7.477 1.00 0.00 O ATOM 464 CB VAL A 32 74.478 -7.797 -9.880 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.792 -9.288 -9.746 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.013 -7.286 -11.219 1.00 0.00 C ATOM 0 H VAL A 32 73.087 -5.528 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 32 72.496 -8.182 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 32 74.950 -7.254 -9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.871 -9.438 -9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.409 -9.656 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.320 -9.834 -10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.091 -7.438 -11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.537 -7.832 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.793 -6.223 -11.317 1.00 0.00 H new ATOM 476 N ALA A 33 71.834 -9.192 -8.401 1.00 0.00 N ATOM 477 CA ALA A 33 71.273 -9.694 -7.146 1.00 0.00 C ATOM 478 C ALA A 33 72.332 -9.750 -6.049 1.00 0.00 C ATOM 479 O ALA A 33 73.510 -9.991 -6.312 1.00 0.00 O ATOM 480 CB ALA A 33 70.689 -11.094 -7.338 1.00 0.00 C ATOM 0 H ALA A 33 71.725 -9.819 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 33 70.485 -9.003 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.277 -11.449 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.899 -11.059 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.474 -11.773 -7.670 1.00 0.00 H new ATOM 486 N PHE A 34 71.891 -9.527 -4.809 1.00 0.00 N ATOM 487 CA PHE A 34 72.798 -9.553 -3.656 1.00 0.00 C ATOM 488 C PHE A 34 73.562 -10.875 -3.592 1.00 0.00 C ATOM 489 O PHE A 34 74.740 -10.911 -3.237 1.00 0.00 O ATOM 490 CB PHE A 34 72.014 -9.379 -2.354 1.00 0.00 C ATOM 491 CG PHE A 34 71.269 -8.066 -2.374 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.975 -6.860 -2.465 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.872 -8.054 -2.291 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.283 -5.642 -2.476 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.182 -6.837 -2.301 1.00 0.00 C ATOM 496 CZ PHE A 34 69.886 -5.632 -2.393 1.00 0.00 C ATOM 0 H PHE A 34 70.918 -9.327 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 34 73.504 -8.732 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.312 -10.203 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.694 -9.408 -1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.053 -6.869 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.327 -8.984 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.827 -4.712 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.104 -6.828 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.351 -4.694 -2.400 1.00 0.00 H new ATOM 506 N ASP A 35 72.875 -11.961 -3.937 1.00 0.00 N ATOM 507 CA ASP A 35 73.495 -13.283 -3.912 1.00 0.00 C ATOM 508 C ASP A 35 74.665 -13.341 -4.891 1.00 0.00 C ATOM 509 O ASP A 35 75.701 -13.942 -4.607 1.00 0.00 O ATOM 510 CB ASP A 35 72.477 -14.365 -4.284 1.00 0.00 C ATOM 511 CG ASP A 35 73.089 -15.744 -4.058 1.00 0.00 C ATOM 512 OD1 ASP A 35 74.079 -16.044 -4.705 1.00 0.00 O ATOM 513 OD2 ASP A 35 72.559 -16.479 -3.241 1.00 0.00 O ATOM 0 H ASP A 35 71.899 -11.953 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 35 73.858 -13.463 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.576 -14.253 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.179 -14.255 -5.327 1.00 0.00 H new ATOM 518 N ALA A 36 74.483 -12.712 -6.046 1.00 0.00 N ATOM 519 CA ALA A 36 75.526 -12.695 -7.066 1.00 0.00 C ATOM 520 C ALA A 36 76.750 -11.933 -6.564 1.00 0.00 C ATOM 521 O ALA A 36 77.889 -12.300 -6.851 1.00 0.00 O ATOM 522 CB ALA A 36 75.009 -12.038 -8.349 1.00 0.00 C ATOM 0 H ALA A 36 73.631 -12.211 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 36 75.808 -13.726 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 36 75.799 -12.033 -9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.154 -12.599 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.705 -11.013 -8.136 1.00 0.00 H new ATOM 528 N LEU A 37 76.499 -10.867 -5.808 1.00 0.00 N ATOM 529 CA LEU A 37 77.590 -10.057 -5.267 1.00 0.00 C ATOM 530 C LEU A 37 78.369 -10.853 -4.228 1.00 0.00 C ATOM 531 O LEU A 37 79.590 -10.736 -4.120 1.00 0.00 O ATOM 532 CB LEU A 37 77.057 -8.778 -4.610 1.00 0.00 C ATOM 533 CG LEU A 37 75.806 -8.170 -5.255 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.531 -6.798 -4.637 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.025 -8.012 -6.761 1.00 0.00 C ATOM 0 H LEU A 37 75.564 -10.546 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 37 78.242 -9.785 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.836 -8.994 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.849 -8.029 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 37 74.955 -8.829 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.642 -6.364 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 75.370 -6.908 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 76.385 -6.143 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.133 -7.580 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.877 -7.356 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.221 -8.988 -7.205 1.00 0.00 H new ATOM 547 N GLY A 38 77.647 -11.665 -3.464 1.00 0.00 N ATOM 548 CA GLY A 38 78.278 -12.483 -2.434 1.00 0.00 C ATOM 549 C GLY A 38 77.607 -12.307 -1.068 1.00 0.00 C ATOM 550 O GLY A 38 78.027 -12.919 -0.085 1.00 0.00 O ATOM 0 H GLY A 38 76.635 -11.774 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.234 -13.532 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.332 -12.218 -2.356 1.00 0.00 H new ATOM 554 N TYR A 39 76.560 -11.477 -0.999 1.00 0.00 N ATOM 555 CA TYR A 39 75.870 -11.265 0.269 1.00 0.00 C ATOM 556 C TYR A 39 75.032 -12.488 0.620 1.00 0.00 C ATOM 557 O TYR A 39 74.547 -13.197 -0.263 1.00 0.00 O ATOM 558 CB TYR A 39 74.951 -10.046 0.185 1.00 0.00 C ATOM 559 CG TYR A 39 75.781 -8.793 0.040 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.721 -8.458 1.020 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.607 -7.966 -1.075 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.488 -7.295 0.886 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.373 -6.803 -1.210 1.00 0.00 C ATOM 564 CZ TYR A 39 77.314 -6.467 -0.229 1.00 0.00 C ATOM 565 OH TYR A 39 78.073 -5.320 -0.362 1.00 0.00 O ATOM 0 H TYR A 39 76.182 -10.954 -1.789 1.00 0.00 H new ATOM 0 HA TYR A 39 76.623 -11.098 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.275 -10.146 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.332 -9.983 1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.855 -9.097 1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.881 -8.225 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.214 -7.037 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.239 -6.165 -2.071 1.00 0.00 H new ATOM 0 HH TYR A 39 77.828 -4.860 -1.192 1.00 0.00 H new ATOM 575 N ASP A 40 74.859 -12.728 1.915 1.00 0.00 N ATOM 576 CA ASP A 40 74.069 -13.867 2.363 1.00 0.00 C ATOM 577 C ASP A 40 72.625 -13.438 2.570 1.00 0.00 C ATOM 578 O ASP A 40 71.721 -13.855 1.848 1.00 0.00 O ATOM 579 CB ASP A 40 74.620 -14.423 3.677 1.00 0.00 C ATOM 580 CG ASP A 40 75.725 -15.430 3.380 1.00 0.00 C ATOM 581 OD1 ASP A 40 75.504 -16.293 2.546 1.00 0.00 O ATOM 582 OD2 ASP A 40 76.777 -15.323 3.989 1.00 0.00 O ATOM 0 H ASP A 40 75.250 -12.157 2.664 1.00 0.00 H new ATOM 0 HA ASP A 40 74.121 -14.644 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.009 -13.612 4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.822 -14.900 4.245 1.00 0.00 H new ATOM 587 N SER A 41 72.431 -12.587 3.570 1.00 0.00 N ATOM 588 CA SER A 41 71.106 -12.068 3.904 1.00 0.00 C ATOM 589 C SER A 41 71.177 -11.354 5.240 1.00 0.00 C ATOM 590 O SER A 41 70.646 -10.258 5.402 1.00 0.00 O ATOM 591 CB SER A 41 70.066 -13.191 3.997 1.00 0.00 C ATOM 592 OG SER A 41 69.446 -13.361 2.729 1.00 0.00 O ATOM 0 H SER A 41 73.179 -12.238 4.169 1.00 0.00 H new ATOM 0 HA SER A 41 70.801 -11.384 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.543 -14.120 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.318 -12.948 4.751 1.00 0.00 H new ATOM 0 HG SER A 41 70.129 -13.350 2.027 1.00 0.00 H new ATOM 598 N LEU A 42 71.859 -11.994 6.191 1.00 0.00 N ATOM 599 CA LEU A 42 72.021 -11.433 7.534 1.00 0.00 C ATOM 600 C LEU A 42 72.579 -10.014 7.471 1.00 0.00 C ATOM 601 O LEU A 42 72.100 -9.109 8.157 1.00 0.00 O ATOM 602 CB LEU A 42 72.970 -12.301 8.362 1.00 0.00 C ATOM 603 CG LEU A 42 72.326 -13.523 9.021 1.00 0.00 C ATOM 604 CD1 LEU A 42 73.357 -14.235 9.897 1.00 0.00 C ATOM 605 CD2 LEU A 42 71.147 -13.073 9.887 1.00 0.00 C ATOM 0 H LEU A 42 72.308 -12.900 6.057 1.00 0.00 H new ATOM 0 HA LEU A 42 71.037 -11.410 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.781 -12.640 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.418 -11.682 9.140 1.00 0.00 H new ATOM 0 HG LEU A 42 71.972 -14.206 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 72.897 -15.105 10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.198 -14.556 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 42 73.712 -13.552 10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.688 -13.943 10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 42 71.502 -12.389 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.410 -12.566 9.264 1.00 0.00 H new ATOM 617 N ALA A 43 73.594 -9.829 6.631 1.00 0.00 N ATOM 618 CA ALA A 43 74.207 -8.513 6.481 1.00 0.00 C ATOM 619 C ALA A 43 73.195 -7.524 5.928 1.00 0.00 C ATOM 620 O ALA A 43 73.100 -6.390 6.390 1.00 0.00 O ATOM 621 CB ALA A 43 75.409 -8.582 5.538 1.00 0.00 C ATOM 0 H ALA A 43 74.004 -10.562 6.052 1.00 0.00 H new ATOM 0 HA ALA A 43 74.543 -8.182 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.852 -7.591 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.150 -9.272 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.083 -8.933 4.559 1.00 0.00 H new ATOM 627 N LEU A 44 72.437 -7.969 4.933 1.00 0.00 N ATOM 628 CA LEU A 44 71.431 -7.112 4.318 1.00 0.00 C ATOM 629 C LEU A 44 70.393 -6.666 5.347 1.00 0.00 C ATOM 630 O LEU A 44 70.075 -5.481 5.444 1.00 0.00 O ATOM 631 CB LEU A 44 70.739 -7.838 3.165 1.00 0.00 C ATOM 632 CG LEU A 44 71.428 -7.671 1.809 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.667 -8.453 0.741 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.449 -6.188 1.436 1.00 0.00 C ATOM 0 H LEU A 44 72.498 -8.908 4.538 1.00 0.00 H new ATOM 0 HA LEU A 44 71.937 -6.229 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.683 -8.900 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.714 -7.475 3.086 1.00 0.00 H new ATOM 0 HG LEU A 44 72.448 -8.051 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.162 -8.330 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.649 -9.510 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.646 -8.078 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 44 71.939 -6.063 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 44 70.427 -5.813 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 71.996 -5.629 2.196 1.00 0.00 H new ATOM 646 N LEU A 45 69.870 -7.620 6.126 1.00 0.00 N ATOM 647 CA LEU A 45 68.862 -7.279 7.154 1.00 0.00 C ATOM 648 C LEU A 45 69.361 -6.129 8.028 1.00 0.00 C ATOM 649 O LEU A 45 68.642 -5.165 8.289 1.00 0.00 O ATOM 650 CB LEU A 45 68.526 -8.468 8.077 1.00 0.00 C ATOM 651 CG LEU A 45 68.738 -9.868 7.501 1.00 0.00 C ATOM 652 CD1 LEU A 45 68.168 -10.905 8.471 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.025 -9.994 6.151 1.00 0.00 C ATOM 0 H LEU A 45 70.114 -8.609 6.073 1.00 0.00 H new ATOM 0 HA LEU A 45 67.960 -6.995 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.129 -8.378 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 45 67.483 -8.379 8.379 1.00 0.00 H new ATOM 0 HG LEU A 45 69.805 -10.038 7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 45 68.317 -11.905 8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 45 68.678 -10.824 9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.102 -10.725 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.182 -10.995 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.957 -9.820 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.428 -9.257 5.457 1.00 0.00 H new ATOM 665 N ASN A 46 70.611 -6.247 8.466 1.00 0.00 N ATOM 666 CA ASN A 46 71.215 -5.216 9.304 1.00 0.00 C ATOM 667 C ASN A 46 71.287 -3.899 8.541 1.00 0.00 C ATOM 668 O ASN A 46 70.827 -2.862 9.018 1.00 0.00 O ATOM 669 CB ASN A 46 72.628 -5.624 9.724 1.00 0.00 C ATOM 670 CG ASN A 46 72.592 -7.009 10.359 1.00 0.00 C ATOM 671 OD1 ASN A 46 71.745 -7.289 11.208 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.472 -7.900 9.996 1.00 0.00 N ATOM 0 H ASN A 46 71.220 -7.038 8.257 1.00 0.00 H new ATOM 0 HA ASN A 46 70.596 -5.095 10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.289 -5.627 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.032 -4.899 10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.459 -8.830 10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.173 -7.667 9.293 1.00 0.00 H new ATOM 679 N THR A 47 71.869 -3.952 7.343 1.00 0.00 N ATOM 680 CA THR A 47 71.996 -2.753 6.510 1.00 0.00 C ATOM 681 C THR A 47 70.625 -2.130 6.250 1.00 0.00 C ATOM 682 O THR A 47 70.374 -0.974 6.595 1.00 0.00 O ATOM 683 CB THR A 47 72.647 -3.092 5.167 1.00 0.00 C ATOM 684 OG1 THR A 47 73.499 -4.215 5.322 1.00 0.00 O ATOM 685 CG2 THR A 47 73.468 -1.898 4.682 1.00 0.00 C ATOM 0 H THR A 47 72.256 -4.801 6.930 1.00 0.00 H new ATOM 0 HA THR A 47 72.624 -2.043 7.048 1.00 0.00 H new ATOM 0 HB THR A 47 71.870 -3.322 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.961 -5.034 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.932 -2.140 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.816 -1.033 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.243 -1.668 5.413 1.00 0.00 H new ATOM 693 N VAL A 48 69.740 -2.919 5.642 1.00 0.00 N ATOM 694 CA VAL A 48 68.383 -2.458 5.332 1.00 0.00 C ATOM 695 C VAL A 48 67.691 -1.932 6.588 1.00 0.00 C ATOM 696 O VAL A 48 66.865 -1.024 6.522 1.00 0.00 O ATOM 697 CB VAL A 48 67.551 -3.604 4.739 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.187 -3.067 4.284 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.290 -4.213 3.536 1.00 0.00 C ATOM 0 H VAL A 48 69.935 -3.878 5.354 1.00 0.00 H new ATOM 0 HA VAL A 48 68.461 -1.651 4.603 1.00 0.00 H new ATOM 0 HB VAL A 48 67.404 -4.372 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.597 -3.881 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.660 -2.641 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.333 -2.296 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.696 -5.026 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.442 -3.446 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.257 -4.599 3.860 1.00 0.00 H new ATOM 709 N GLY A 49 68.045 -2.513 7.732 1.00 0.00 N ATOM 710 CA GLY A 49 67.459 -2.094 9.001 1.00 0.00 C ATOM 711 C GLY A 49 67.902 -0.678 9.355 1.00 0.00 C ATOM 712 O GLY A 49 67.149 0.099 9.946 1.00 0.00 O ATOM 0 H GLY A 49 68.728 -3.267 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.372 -2.135 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.758 -2.783 9.791 1.00 0.00 H new ATOM 716 N ARG A 50 69.136 -0.351 8.988 1.00 0.00 N ATOM 717 CA ARG A 50 69.682 0.970 9.271 1.00 0.00 C ATOM 718 C ARG A 50 68.968 2.044 8.457 1.00 0.00 C ATOM 719 O ARG A 50 68.575 3.081 8.990 1.00 0.00 O ATOM 720 CB ARG A 50 71.177 1.013 8.950 1.00 0.00 C ATOM 721 CG ARG A 50 71.818 2.205 9.660 1.00 0.00 C ATOM 722 CD ARG A 50 72.138 1.827 11.107 1.00 0.00 C ATOM 723 NE ARG A 50 72.290 3.029 11.932 1.00 0.00 N ATOM 724 CZ ARG A 50 73.408 3.769 11.915 1.00 0.00 C ATOM 725 NH1 ARG A 50 74.424 3.450 11.151 1.00 0.00 N ATOM 726 NH2 ARG A 50 73.486 4.829 12.674 1.00 0.00 N ATOM 0 H ARG A 50 69.773 -0.978 8.497 1.00 0.00 H new ATOM 0 HA ARG A 50 69.530 1.167 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.655 0.087 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.326 1.094 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 50 72.729 2.504 9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.143 3.061 9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 50 71.342 1.201 11.510 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.054 1.238 11.141 1.00 0.00 H new ATOM 0 HE ARG A 50 71.520 3.312 12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 50 74.374 2.625 10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 50 75.265 4.027 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 50 72.701 5.087 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 50 74.332 5.399 12.669 1.00 0.00 H new ATOM 740 N ILE A 51 68.808 1.794 7.160 1.00 0.00 N ATOM 741 CA ILE A 51 68.140 2.768 6.295 1.00 0.00 C ATOM 742 C ILE A 51 66.695 2.976 6.741 1.00 0.00 C ATOM 743 O ILE A 51 66.241 4.109 6.883 1.00 0.00 O ATOM 744 CB ILE A 51 68.172 2.313 4.829 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.629 2.086 4.394 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.541 3.391 3.936 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.931 0.589 4.362 1.00 0.00 C ATOM 0 H ILE A 51 69.123 0.945 6.691 1.00 0.00 H new ATOM 0 HA ILE A 51 68.677 3.713 6.377 1.00 0.00 H new ATOM 0 HB ILE A 51 67.609 1.385 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.796 2.521 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 51 70.307 2.589 5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.566 3.063 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.507 3.556 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.101 4.321 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.965 0.433 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.781 0.166 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.263 0.098 3.654 1.00 0.00 H new ATOM 759 N GLU A 52 65.972 1.882 6.959 1.00 0.00 N ATOM 760 CA GLU A 52 64.576 1.994 7.386 1.00 0.00 C ATOM 761 C GLU A 52 64.472 2.778 8.696 1.00 0.00 C ATOM 762 O GLU A 52 63.464 3.433 8.963 1.00 0.00 O ATOM 763 CB GLU A 52 63.939 0.609 7.569 1.00 0.00 C ATOM 764 CG GLU A 52 64.696 -0.177 8.642 1.00 0.00 C ATOM 765 CD GLU A 52 63.968 -1.487 8.923 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.688 -2.202 7.974 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.703 -1.757 10.083 1.00 0.00 O ATOM 0 H GLU A 52 66.316 0.928 6.851 1.00 0.00 H new ATOM 0 HA GLU A 52 64.037 2.528 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.893 0.716 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.958 0.063 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.714 -0.379 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.770 0.413 9.555 1.00 0.00 H new ATOM 774 N ARG A 53 65.525 2.706 9.510 1.00 0.00 N ATOM 775 CA ARG A 53 65.533 3.416 10.785 1.00 0.00 C ATOM 776 C ARG A 53 65.992 4.858 10.597 1.00 0.00 C ATOM 777 O ARG A 53 65.331 5.799 11.034 1.00 0.00 O ATOM 778 CB ARG A 53 66.467 2.723 11.779 1.00 0.00 C ATOM 779 CG ARG A 53 66.139 3.186 13.200 1.00 0.00 C ATOM 780 CD ARG A 53 65.202 2.175 13.867 1.00 0.00 C ATOM 781 NE ARG A 53 63.806 2.601 13.736 1.00 0.00 N ATOM 782 CZ ARG A 53 62.827 2.074 14.485 1.00 0.00 C ATOM 783 NH1 ARG A 53 63.078 1.143 15.375 1.00 0.00 N ATOM 784 NH2 ARG A 53 61.602 2.494 14.325 1.00 0.00 N ATOM 0 H ARG A 53 66.371 2.171 9.312 1.00 0.00 H new ATOM 0 HA ARG A 53 64.515 3.409 11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.357 1.641 11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.505 2.955 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 53 67.056 3.286 13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.670 4.169 13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 53 65.333 1.194 13.411 1.00 0.00 H new ATOM 0 HD3 ARG A 53 65.459 2.073 14.921 1.00 0.00 H new ATOM 0 HE ARG A 53 63.572 3.322 13.053 1.00 0.00 H new ATOM 0 HH11 ARG A 53 64.032 0.807 15.507 1.00 0.00 H new ATOM 0 HH12 ARG A 53 62.319 0.755 15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 53 61.397 3.217 13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 53 60.850 2.100 14.890 1.00 0.00 H new ATOM 798 N ASP A 54 67.138 5.019 9.944 1.00 0.00 N ATOM 799 CA ASP A 54 67.689 6.347 9.703 1.00 0.00 C ATOM 800 C ASP A 54 66.756 7.169 8.820 1.00 0.00 C ATOM 801 O ASP A 54 66.515 8.348 9.078 1.00 0.00 O ATOM 802 CB ASP A 54 69.055 6.243 9.025 1.00 0.00 C ATOM 803 CG ASP A 54 70.127 5.944 10.070 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.975 6.391 11.196 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.087 5.274 9.729 1.00 0.00 O ATOM 0 H ASP A 54 67.700 4.252 9.575 1.00 0.00 H new ATOM 0 HA ASP A 54 67.797 6.842 10.668 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.039 5.456 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.287 7.174 8.508 1.00 0.00 H new ATOM 810 N TYR A 55 66.233 6.538 7.772 1.00 0.00 N ATOM 811 CA TYR A 55 65.327 7.229 6.860 1.00 0.00 C ATOM 812 C TYR A 55 63.887 7.135 7.364 1.00 0.00 C ATOM 813 O TYR A 55 63.076 8.031 7.129 1.00 0.00 O ATOM 814 CB TYR A 55 65.425 6.637 5.452 1.00 0.00 C ATOM 815 CG TYR A 55 66.795 6.932 4.880 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.917 6.244 5.359 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.944 7.892 3.869 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.185 6.516 4.830 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.213 8.163 3.340 1.00 0.00 C ATOM 820 CZ TYR A 55 69.332 7.474 3.821 1.00 0.00 C ATOM 821 OH TYR A 55 70.582 7.741 3.299 1.00 0.00 O ATOM 0 H TYR A 55 66.418 5.563 7.535 1.00 0.00 H new ATOM 0 HA TYR A 55 65.620 8.278 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.256 5.561 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.652 7.062 4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.804 5.503 6.137 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.080 8.423 3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.050 5.986 5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.327 8.903 2.562 1.00 0.00 H new ATOM 0 HH TYR A 55 70.507 8.431 2.607 1.00 0.00 H new ATOM 831 N GLY A 56 63.583 6.052 8.080 1.00 0.00 N ATOM 832 CA GLY A 56 62.240 5.873 8.632 1.00 0.00 C ATOM 833 C GLY A 56 61.313 5.167 7.647 1.00 0.00 C ATOM 834 O GLY A 56 60.113 5.438 7.601 1.00 0.00 O ATOM 0 H GLY A 56 64.236 5.297 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.300 5.294 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.821 6.845 8.893 1.00 0.00 H new ATOM 838 N VAL A 57 61.876 4.254 6.866 1.00 0.00 N ATOM 839 CA VAL A 57 61.084 3.507 5.888 1.00 0.00 C ATOM 840 C VAL A 57 60.372 2.337 6.565 1.00 0.00 C ATOM 841 O VAL A 57 60.925 1.685 7.449 1.00 0.00 O ATOM 842 CB VAL A 57 61.989 2.971 4.773 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.141 2.299 3.681 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.789 4.132 4.168 1.00 0.00 C ATOM 0 H VAL A 57 62.867 4.012 6.887 1.00 0.00 H new ATOM 0 HA VAL A 57 60.342 4.181 5.460 1.00 0.00 H new ATOM 0 HB VAL A 57 62.674 2.232 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.794 1.922 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.579 1.471 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.448 3.027 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.434 3.755 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.102 4.872 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.400 4.595 4.943 1.00 0.00 H new ATOM 854 N GLN A 58 59.136 2.080 6.140 1.00 0.00 N ATOM 855 CA GLN A 58 58.362 0.983 6.716 1.00 0.00 C ATOM 856 C GLN A 58 57.153 0.650 5.836 1.00 0.00 C ATOM 857 O GLN A 58 56.002 0.797 6.247 1.00 0.00 O ATOM 858 CB GLN A 58 57.880 1.354 8.123 1.00 0.00 C ATOM 859 CG GLN A 58 57.430 0.089 8.858 1.00 0.00 C ATOM 860 CD GLN A 58 57.684 0.252 10.353 1.00 0.00 C ATOM 861 OE1 GLN A 58 56.939 0.945 11.044 1.00 0.00 O ATOM 862 NE2 GLN A 58 58.703 -0.355 10.899 1.00 0.00 N ATOM 0 H GLN A 58 58.656 2.607 5.411 1.00 0.00 H new ATOM 0 HA GLN A 58 59.009 0.108 6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.682 1.843 8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.056 2.064 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.371 -0.093 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 58 57.972 -0.777 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 58 59.321 -0.930 10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.881 -0.254 11.898 1.00 0.00 H new ATOM 871 N LEU A 59 57.431 0.191 4.616 1.00 0.00 N ATOM 872 CA LEU A 59 56.359 -0.168 3.686 1.00 0.00 C ATOM 873 C LEU A 59 55.895 -1.597 3.942 1.00 0.00 C ATOM 874 O LEU A 59 54.698 -1.872 4.026 1.00 0.00 O ATOM 875 CB LEU A 59 56.830 -0.062 2.234 1.00 0.00 C ATOM 876 CG LEU A 59 57.850 1.055 1.950 1.00 0.00 C ATOM 877 CD1 LEU A 59 59.190 0.446 1.526 1.00 0.00 C ATOM 878 CD2 LEU A 59 57.330 1.961 0.828 1.00 0.00 C ATOM 0 H LEU A 59 58.375 0.060 4.252 1.00 0.00 H new ATOM 0 HA LEU A 59 55.537 0.529 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.270 -1.015 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.959 0.095 1.598 1.00 0.00 H new ATOM 0 HG LEU A 59 57.990 1.642 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.906 1.244 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.569 -0.191 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.050 -0.149 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.056 2.750 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.181 1.371 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.383 2.407 1.130 1.00 0.00 H new ATOM 890 N GLY A 60 56.860 -2.504 4.057 1.00 0.00 N ATOM 891 CA GLY A 60 56.550 -3.907 4.297 1.00 0.00 C ATOM 892 C GLY A 60 57.826 -4.710 4.520 1.00 0.00 C ATOM 893 O GLY A 60 58.798 -4.583 3.776 1.00 0.00 O ATOM 0 H GLY A 60 57.856 -2.294 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.901 -3.997 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.002 -4.314 3.447 1.00 0.00 H new ATOM 897 N ASP A 61 57.807 -5.538 5.560 1.00 0.00 N ATOM 898 CA ASP A 61 58.964 -6.369 5.896 1.00 0.00 C ATOM 899 C ASP A 61 59.379 -7.252 4.716 1.00 0.00 C ATOM 900 O ASP A 61 60.520 -7.712 4.645 1.00 0.00 O ATOM 901 CB ASP A 61 58.644 -7.264 7.094 1.00 0.00 C ATOM 902 CG ASP A 61 58.366 -6.396 8.317 1.00 0.00 C ATOM 903 OD1 ASP A 61 57.450 -5.593 8.253 1.00 0.00 O ATOM 904 OD2 ASP A 61 59.073 -6.548 9.300 1.00 0.00 O ATOM 0 H ASP A 61 57.008 -5.653 6.184 1.00 0.00 H new ATOM 0 HA ASP A 61 59.787 -5.698 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 61 57.778 -7.889 6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 61 59.479 -7.935 7.293 1.00 0.00 H new ATOM 909 N ASP A 62 58.449 -7.489 3.789 1.00 0.00 N ATOM 910 CA ASP A 62 58.750 -8.324 2.630 1.00 0.00 C ATOM 911 C ASP A 62 59.543 -7.557 1.568 1.00 0.00 C ATOM 912 O ASP A 62 59.908 -8.120 0.534 1.00 0.00 O ATOM 913 CB ASP A 62 57.461 -8.850 1.999 1.00 0.00 C ATOM 914 CG ASP A 62 56.532 -7.683 1.682 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.878 -6.897 0.816 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.490 -7.593 2.309 1.00 0.00 O ATOM 0 H ASP A 62 57.498 -7.121 3.818 1.00 0.00 H new ATOM 0 HA ASP A 62 59.357 -9.156 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.690 -9.403 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.969 -9.545 2.679 1.00 0.00 H new ATOM 921 N ALA A 63 59.832 -6.277 1.828 1.00 0.00 N ATOM 922 CA ALA A 63 60.607 -5.476 0.882 1.00 0.00 C ATOM 923 C ALA A 63 61.954 -6.139 0.625 1.00 0.00 C ATOM 924 O ALA A 63 62.501 -6.075 -0.476 1.00 0.00 O ATOM 925 CB ALA A 63 60.847 -4.077 1.444 1.00 0.00 C ATOM 0 H ALA A 63 59.545 -5.782 2.673 1.00 0.00 H new ATOM 0 HA ALA A 63 60.045 -5.403 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.425 -3.492 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.890 -3.588 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.398 -4.151 2.382 1.00 0.00 H new ATOM 931 N VAL A 64 62.473 -6.792 1.661 1.00 0.00 N ATOM 932 CA VAL A 64 63.750 -7.487 1.550 1.00 0.00 C ATOM 933 C VAL A 64 63.614 -8.677 0.604 1.00 0.00 C ATOM 934 O VAL A 64 64.570 -9.068 -0.066 1.00 0.00 O ATOM 935 CB VAL A 64 64.214 -7.986 2.921 1.00 0.00 C ATOM 936 CG1 VAL A 64 65.635 -8.544 2.808 1.00 0.00 C ATOM 937 CG2 VAL A 64 64.202 -6.826 3.918 1.00 0.00 C ATOM 0 H VAL A 64 62.033 -6.854 2.579 1.00 0.00 H new ATOM 0 HA VAL A 64 64.487 -6.786 1.158 1.00 0.00 H new ATOM 0 HB VAL A 64 63.541 -8.771 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.965 -8.899 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.646 -9.371 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 64 66.307 -7.759 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.532 -7.182 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.874 -6.041 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 64 63.191 -6.427 4.000 1.00 0.00 H new ATOM 947 N GLU A 65 62.410 -9.248 0.553 1.00 0.00 N ATOM 948 CA GLU A 65 62.159 -10.391 -0.319 1.00 0.00 C ATOM 949 C GLU A 65 62.272 -9.970 -1.778 1.00 0.00 C ATOM 950 O GLU A 65 63.089 -10.500 -2.532 1.00 0.00 O ATOM 951 CB GLU A 65 60.762 -10.961 -0.069 1.00 0.00 C ATOM 952 CG GLU A 65 60.658 -12.350 -0.700 1.00 0.00 C ATOM 953 CD GLU A 65 59.202 -12.802 -0.699 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.370 -12.056 -1.188 1.00 0.00 O ATOM 955 OE2 GLU A 65 58.940 -13.888 -0.209 1.00 0.00 O ATOM 0 H GLU A 65 61.604 -8.941 1.098 1.00 0.00 H new ATOM 0 HA GLU A 65 62.903 -11.157 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.568 -11.021 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.006 -10.300 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.042 -12.327 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.271 -13.060 -0.144 1.00 0.00 H new ATOM 962 N LYS A 66 61.442 -9.006 -2.168 1.00 0.00 N ATOM 963 CA LYS A 66 61.456 -8.513 -3.541 1.00 0.00 C ATOM 964 C LYS A 66 62.786 -7.829 -3.843 1.00 0.00 C ATOM 965 O LYS A 66 63.288 -7.879 -4.966 1.00 0.00 O ATOM 966 CB LYS A 66 60.318 -7.515 -3.765 1.00 0.00 C ATOM 967 CG LYS A 66 58.978 -8.194 -3.474 1.00 0.00 C ATOM 968 CD LYS A 66 57.839 -7.204 -3.725 1.00 0.00 C ATOM 969 CE LYS A 66 56.589 -7.662 -2.973 1.00 0.00 C ATOM 970 NZ LYS A 66 55.420 -6.847 -3.409 1.00 0.00 N ATOM 0 H LYS A 66 60.758 -8.555 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 66 61.324 -9.365 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.447 -6.649 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.337 -7.150 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 66 58.858 -9.072 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.951 -8.541 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 66 58.130 -6.207 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 66 57.630 -7.137 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.402 -8.718 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 66 56.739 -7.556 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 54.570 -7.158 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 55.600 -5.844 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.273 -6.969 -4.431 1.00 0.00 H new ATOM 984 N ALA A 67 63.349 -7.188 -2.822 1.00 0.00 N ATOM 985 CA ALA A 67 64.623 -6.492 -2.976 1.00 0.00 C ATOM 986 C ALA A 67 65.750 -7.485 -3.239 1.00 0.00 C ATOM 987 O ALA A 67 66.278 -8.106 -2.316 1.00 0.00 O ATOM 988 CB ALA A 67 64.954 -5.699 -1.711 1.00 0.00 C ATOM 0 H ALA A 67 62.947 -7.136 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 67 64.531 -5.813 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 67 65.907 -5.186 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.169 -4.965 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.022 -6.380 -0.862 1.00 0.00 H new ATOM 994 N THR A 68 66.120 -7.620 -4.509 1.00 0.00 N ATOM 995 CA THR A 68 67.199 -8.529 -4.888 1.00 0.00 C ATOM 996 C THR A 68 68.448 -7.726 -5.243 1.00 0.00 C ATOM 997 O THR A 68 69.575 -8.158 -5.003 1.00 0.00 O ATOM 998 CB THR A 68 66.790 -9.393 -6.086 1.00 0.00 C ATOM 999 OG1 THR A 68 67.876 -10.234 -6.451 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.416 -8.500 -7.271 1.00 0.00 C ATOM 0 H THR A 68 65.694 -7.117 -5.287 1.00 0.00 H new ATOM 0 HA THR A 68 67.409 -9.184 -4.042 1.00 0.00 H new ATOM 0 HB THR A 68 65.928 -10.002 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.617 -10.789 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 68 66.127 -9.122 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.582 -7.856 -6.992 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.273 -7.885 -7.548 1.00 0.00 H new ATOM 1008 N THR A 69 68.226 -6.545 -5.813 1.00 0.00 N ATOM 1009 CA THR A 69 69.324 -5.665 -6.198 1.00 0.00 C ATOM 1010 C THR A 69 69.348 -4.449 -5.269 1.00 0.00 C ATOM 1011 O THR A 69 68.403 -4.233 -4.509 1.00 0.00 O ATOM 1012 CB THR A 69 69.146 -5.182 -7.651 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.821 -5.456 -8.089 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.138 -5.899 -8.566 1.00 0.00 C ATOM 0 H THR A 69 67.297 -6.176 -6.018 1.00 0.00 H new ATOM 0 HA THR A 69 70.260 -6.219 -6.119 1.00 0.00 H new ATOM 0 HB THR A 69 69.330 -4.108 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.711 -5.146 -9.012 1.00 0.00 H new ATOM 0 HG21 THR A 69 70.005 -5.551 -9.590 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.155 -5.684 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.962 -6.974 -8.522 1.00 0.00 H new ATOM 1022 N PRO A 70 70.403 -3.623 -5.320 1.00 0.00 N ATOM 1023 CA PRO A 70 70.475 -2.428 -4.464 1.00 0.00 C ATOM 1024 C PRO A 70 69.446 -1.391 -4.884 1.00 0.00 C ATOM 1025 O PRO A 70 68.793 -0.768 -4.048 1.00 0.00 O ATOM 1026 CB PRO A 70 71.901 -1.938 -4.685 1.00 0.00 C ATOM 1027 CG PRO A 70 72.347 -2.503 -6.023 1.00 0.00 C ATOM 1028 CD PRO A 70 71.562 -3.800 -6.228 1.00 0.00 C ATOM 0 HA PRO A 70 70.256 -2.629 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.941 -0.849 -4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.557 -2.277 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.147 -1.797 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.420 -2.694 -6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.249 -3.925 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.153 -4.677 -5.965 1.00 0.00 H new ATOM 1036 N ARG A 71 69.282 -1.236 -6.197 1.00 0.00 N ATOM 1037 CA ARG A 71 68.297 -0.295 -6.721 1.00 0.00 C ATOM 1038 C ARG A 71 66.895 -0.637 -6.205 1.00 0.00 C ATOM 1039 O ARG A 71 66.012 0.219 -6.163 1.00 0.00 O ATOM 1040 CB ARG A 71 68.286 -0.328 -8.250 1.00 0.00 C ATOM 1041 CG ARG A 71 69.685 -0.007 -8.777 1.00 0.00 C ATOM 1042 CD ARG A 71 69.796 1.493 -9.050 1.00 0.00 C ATOM 1043 NE ARG A 71 70.838 1.758 -10.044 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.976 2.957 -10.630 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.179 3.956 -10.334 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.922 3.133 -11.512 1.00 0.00 N ATOM 0 H ARG A 71 69.811 -1.742 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 71 68.574 0.703 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.970 -1.310 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.566 0.394 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.438 -0.312 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.879 -0.569 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.840 1.875 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.025 2.021 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 71 71.479 1.007 -10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.437 3.830 -9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.302 4.859 -10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.547 2.363 -11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 71 72.036 4.040 -11.964 1.00 0.00 H new ATOM 1060 N ALA A 72 66.699 -1.899 -5.805 1.00 0.00 N ATOM 1061 CA ALA A 72 65.402 -2.329 -5.289 1.00 0.00 C ATOM 1062 C ALA A 72 65.149 -1.694 -3.928 1.00 0.00 C ATOM 1063 O ALA A 72 64.151 -1.005 -3.719 1.00 0.00 O ATOM 1064 CB ALA A 72 65.357 -3.852 -5.148 1.00 0.00 C ATOM 0 H ALA A 72 67.412 -2.628 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 72 64.632 -2.013 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.383 -4.153 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.520 -4.313 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.136 -4.177 -4.459 1.00 0.00 H new ATOM 1070 N LEU A 73 66.077 -1.931 -3.005 1.00 0.00 N ATOM 1071 CA LEU A 73 65.970 -1.378 -1.652 1.00 0.00 C ATOM 1072 C LEU A 73 65.866 0.141 -1.707 1.00 0.00 C ATOM 1073 O LEU A 73 65.012 0.745 -1.058 1.00 0.00 O ATOM 1074 CB LEU A 73 67.196 -1.750 -0.819 1.00 0.00 C ATOM 1075 CG LEU A 73 67.508 -3.243 -0.759 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.941 -3.447 -0.262 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.532 -3.924 0.202 1.00 0.00 C ATOM 0 H LEU A 73 66.909 -2.499 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 73 65.074 -1.796 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.063 -1.229 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.051 -1.384 0.197 1.00 0.00 H new ATOM 0 HG LEU A 73 67.406 -3.678 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.163 -4.513 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.636 -2.959 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.046 -3.015 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.751 -4.991 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.637 -3.489 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.511 -3.778 -0.152 1.00 0.00 H new ATOM 1089 N ILE A 74 66.748 0.751 -2.497 1.00 0.00 N ATOM 1090 CA ILE A 74 66.752 2.208 -2.644 1.00 0.00 C ATOM 1091 C ILE A 74 65.384 2.691 -3.131 1.00 0.00 C ATOM 1092 O ILE A 74 64.915 3.764 -2.749 1.00 0.00 O ATOM 1093 CB ILE A 74 67.830 2.649 -3.648 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.204 2.180 -3.166 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.843 4.177 -3.769 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.239 2.444 -4.262 1.00 0.00 C ATOM 0 H ILE A 74 67.462 0.267 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 74 66.971 2.647 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 74 67.605 2.208 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.481 2.706 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.175 1.117 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.610 4.479 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.869 4.523 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.059 4.617 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.220 2.111 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.962 1.898 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.273 3.511 -4.481 1.00 0.00 H new ATOM 1108 N GLU A 75 64.759 1.886 -3.981 1.00 0.00 N ATOM 1109 CA GLU A 75 63.452 2.239 -4.520 1.00 0.00 C ATOM 1110 C GLU A 75 62.373 2.085 -3.458 1.00 0.00 C ATOM 1111 O GLU A 75 61.547 2.971 -3.263 1.00 0.00 O ATOM 1112 CB GLU A 75 63.107 1.355 -5.718 1.00 0.00 C ATOM 1113 CG GLU A 75 63.608 2.018 -7.003 1.00 0.00 C ATOM 1114 CD GLU A 75 62.692 1.642 -8.162 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.539 2.038 -8.131 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.157 0.964 -9.063 1.00 0.00 O ATOM 0 H GLU A 75 65.131 0.994 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 75 63.495 3.280 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.564 0.372 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.029 1.202 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.631 3.101 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.629 1.700 -7.215 1.00 0.00 H new ATOM 1123 N MET A 76 62.393 0.953 -2.768 1.00 0.00 N ATOM 1124 CA MET A 76 61.411 0.702 -1.720 1.00 0.00 C ATOM 1125 C MET A 76 61.601 1.704 -0.588 1.00 0.00 C ATOM 1126 O MET A 76 60.640 2.218 -0.015 1.00 0.00 O ATOM 1127 CB MET A 76 61.565 -0.716 -1.168 1.00 0.00 C ATOM 1128 CG MET A 76 60.730 -1.684 -2.008 1.00 0.00 C ATOM 1129 SD MET A 76 59.035 -1.728 -1.373 1.00 0.00 S ATOM 1130 CE MET A 76 58.203 -1.937 -2.966 1.00 0.00 C ATOM 0 H MET A 76 63.068 0.202 -2.911 1.00 0.00 H new ATOM 0 HA MET A 76 60.414 0.810 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.614 -1.013 -1.187 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.243 -0.750 -0.127 1.00 0.00 H new ATOM 0 HG2 MET A 76 60.730 -1.370 -3.052 1.00 0.00 H new ATOM 0 HG3 MET A 76 61.168 -2.682 -1.975 1.00 0.00 H new ATOM 0 HE1 MET A 76 57.126 -1.989 -2.810 1.00 0.00 H new ATOM 0 HE2 MET A 76 58.435 -1.090 -3.612 1.00 0.00 H new ATOM 0 HE3 MET A 76 58.546 -2.858 -3.438 1.00 0.00 H new ATOM 1140 N THR A 77 62.865 1.978 -0.281 1.00 0.00 N ATOM 1141 CA THR A 77 63.201 2.924 0.778 1.00 0.00 C ATOM 1142 C THR A 77 62.702 4.320 0.418 1.00 0.00 C ATOM 1143 O THR A 77 62.016 4.974 1.203 1.00 0.00 O ATOM 1144 CB THR A 77 64.722 2.967 0.984 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.196 1.655 1.252 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.073 3.880 2.164 1.00 0.00 C ATOM 0 H THR A 77 63.670 1.561 -0.748 1.00 0.00 H new ATOM 0 HA THR A 77 62.719 2.596 1.699 1.00 0.00 H new ATOM 0 HB THR A 77 65.191 3.357 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.538 1.255 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.154 3.901 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.713 4.889 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.602 3.500 3.071 1.00 0.00 H new ATOM 1154 N ASN A 78 63.061 4.773 -0.779 1.00 0.00 N ATOM 1155 CA ASN A 78 62.658 6.095 -1.237 1.00 0.00 C ATOM 1156 C ASN A 78 61.166 6.144 -1.513 1.00 0.00 C ATOM 1157 O ASN A 78 60.502 7.147 -1.264 1.00 0.00 O ATOM 1158 CB ASN A 78 63.421 6.443 -2.505 1.00 0.00 C ATOM 1159 CG ASN A 78 64.885 6.638 -2.144 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.204 7.075 -1.037 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.808 6.328 -3.006 1.00 0.00 N ATOM 0 H ASN A 78 63.627 4.247 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 78 62.886 6.818 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.315 5.647 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.017 7.350 -2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.792 6.447 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.548 5.966 -3.923 1.00 0.00 H new ATOM 1168 N ALA A 79 60.649 5.038 -2.025 1.00 0.00 N ATOM 1169 CA ALA A 79 59.224 4.927 -2.335 1.00 0.00 C ATOM 1170 C ALA A 79 58.390 5.219 -1.093 1.00 0.00 C ATOM 1171 O ALA A 79 57.300 5.785 -1.171 1.00 0.00 O ATOM 1172 CB ALA A 79 58.895 3.517 -2.822 1.00 0.00 C ATOM 0 H ALA A 79 61.192 4.201 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 79 58.990 5.650 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.831 3.449 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.472 3.298 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.147 2.796 -2.045 1.00 0.00 H new ATOM 1178 N SER A 80 58.931 4.829 0.056 1.00 0.00 N ATOM 1179 CA SER A 80 58.249 5.052 1.319 1.00 0.00 C ATOM 1180 C SER A 80 58.397 6.514 1.731 1.00 0.00 C ATOM 1181 O SER A 80 57.454 7.141 2.212 1.00 0.00 O ATOM 1182 CB SER A 80 58.818 4.129 2.407 1.00 0.00 C ATOM 1183 OG SER A 80 59.896 4.764 3.082 1.00 0.00 O ATOM 0 H SER A 80 59.833 4.360 0.136 1.00 0.00 H new ATOM 0 HA SER A 80 57.191 4.822 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.035 3.872 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.160 3.196 1.959 1.00 0.00 H new ATOM 0 HG SER A 80 60.672 4.814 2.485 1.00 0.00 H new ATOM 1189 N LEU A 81 59.598 7.048 1.522 1.00 0.00 N ATOM 1190 CA LEU A 81 59.874 8.436 1.858 1.00 0.00 C ATOM 1191 C LEU A 81 59.062 9.365 0.967 1.00 0.00 C ATOM 1192 O LEU A 81 58.361 10.256 1.447 1.00 0.00 O ATOM 1193 CB LEU A 81 61.366 8.731 1.666 1.00 0.00 C ATOM 1194 CG LEU A 81 62.333 8.268 2.791 1.00 0.00 C ATOM 1195 CD1 LEU A 81 61.633 7.377 3.829 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.504 7.490 2.178 1.00 0.00 C ATOM 0 H LEU A 81 60.389 6.542 1.124 1.00 0.00 H new ATOM 0 HA LEU A 81 59.598 8.603 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 81 61.685 8.265 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.484 9.807 1.541 1.00 0.00 H new ATOM 0 HG LEU A 81 62.690 9.164 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 81 62.349 7.079 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 81 60.816 7.931 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.236 6.489 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 81 64.180 7.167 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 81 63.123 6.617 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 81 64.042 8.132 1.481 1.00 0.00 H new ATOM 1208 N THR A 82 59.163 9.145 -0.341 1.00 0.00 N ATOM 1209 CA THR A 82 58.432 9.968 -1.300 1.00 0.00 C ATOM 1210 C THR A 82 56.927 9.833 -1.082 1.00 0.00 C ATOM 1211 O THR A 82 56.165 10.775 -1.304 1.00 0.00 O ATOM 1212 CB THR A 82 58.771 9.552 -2.736 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.006 10.331 -3.645 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.452 8.068 -2.940 1.00 0.00 C ATOM 0 H THR A 82 59.737 8.412 -0.758 1.00 0.00 H new ATOM 0 HA THR A 82 58.729 11.006 -1.146 1.00 0.00 H new ATOM 0 HB THR A 82 59.834 9.716 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.222 10.068 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.696 7.781 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.042 7.470 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.391 7.895 -2.758 1.00 0.00 H new ATOM 1222 N GLY A 83 56.508 8.648 -0.644 1.00 0.00 N ATOM 1223 CA GLY A 83 55.090 8.396 -0.399 1.00 0.00 C ATOM 1224 C GLY A 83 54.760 8.533 1.085 1.00 0.00 C ATOM 1225 O GLY A 83 53.844 7.887 1.593 1.00 0.00 O ATOM 0 H GLY A 83 57.122 7.856 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.487 9.097 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.830 7.395 -0.742 1.00 0.00 H new