USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 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 -62:sc= 0.0404 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 102:sc= 1.11 USER MOD Single : A 16 CYS SG : rot 80:sc= -1.87 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 44:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 91:sc= 1.11 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+ -146:sc=-0.00442 (180deg=-0.136) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 78 ASN : amide:sc= -8.09! C(o=-8.1!,f=-11!) USER MOD Single : A 80 SER OG : rot -130:sc= -0.653 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.387 11.293 0.628 1.00 0.00 N ATOM 35 CA LEU A 3 65.313 10.016 -0.076 1.00 0.00 C ATOM 36 C LEU A 3 66.614 9.233 0.112 1.00 0.00 C ATOM 37 O LEU A 3 67.406 9.534 1.005 1.00 0.00 O ATOM 38 CB LEU A 3 65.041 10.246 -1.569 1.00 0.00 C ATOM 39 CG LEU A 3 66.210 10.813 -2.383 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.052 10.401 -3.847 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.206 12.339 -2.282 1.00 0.00 C ATOM 0 HA LEU A 3 64.491 9.434 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.740 9.298 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.194 10.926 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 3 67.151 10.425 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.881 10.802 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.049 9.313 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.112 10.793 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.037 12.744 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.267 12.727 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.312 12.635 -1.238 1.00 0.00 H new ATOM 53 N LEU A 4 66.827 8.223 -0.731 1.00 0.00 N ATOM 54 CA LEU A 4 68.040 7.411 -0.628 1.00 0.00 C ATOM 55 C LEU A 4 68.718 7.290 -1.990 1.00 0.00 C ATOM 56 O LEU A 4 68.105 7.548 -3.026 1.00 0.00 O ATOM 57 CB LEU A 4 67.700 6.015 -0.102 1.00 0.00 C ATOM 58 CG LEU A 4 68.878 5.237 0.500 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.393 4.414 1.696 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.461 4.295 -0.556 1.00 0.00 C ATOM 0 H LEU A 4 66.190 7.951 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 4 68.721 7.901 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.923 6.110 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.279 5.429 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 4 69.644 5.940 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.231 3.862 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.976 5.080 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.626 3.712 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.298 3.742 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.692 3.594 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.809 4.876 -1.410 1.00 0.00 H new ATOM 72 N THR A 5 69.989 6.900 -1.980 1.00 0.00 N ATOM 73 CA THR A 5 70.732 6.756 -3.229 1.00 0.00 C ATOM 74 C THR A 5 71.527 5.456 -3.247 1.00 0.00 C ATOM 75 O THR A 5 71.663 4.773 -2.232 1.00 0.00 O ATOM 76 CB THR A 5 71.698 7.925 -3.415 1.00 0.00 C ATOM 77 OG1 THR A 5 72.296 8.251 -2.168 1.00 0.00 O ATOM 78 CG2 THR A 5 70.933 9.135 -3.948 1.00 0.00 C ATOM 0 H THR A 5 70.519 6.681 -1.137 1.00 0.00 H new ATOM 0 HA THR A 5 70.006 6.744 -4.042 1.00 0.00 H new ATOM 0 HB THR A 5 72.476 7.645 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.603 8.542 -1.539 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.621 9.970 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.477 8.884 -4.906 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.155 9.415 -3.238 1.00 0.00 H new ATOM 86 N LEU A 6 72.058 5.129 -4.422 1.00 0.00 N ATOM 87 CA LEU A 6 72.851 3.911 -4.584 1.00 0.00 C ATOM 88 C LEU A 6 74.122 3.999 -3.753 1.00 0.00 C ATOM 89 O LEU A 6 74.597 3.005 -3.206 1.00 0.00 O ATOM 90 CB LEU A 6 73.226 3.709 -6.052 1.00 0.00 C ATOM 91 CG LEU A 6 73.965 2.406 -6.359 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.074 1.217 -5.995 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.300 2.351 -7.851 1.00 0.00 C ATOM 0 H LEU A 6 71.956 5.685 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 6 72.251 3.066 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.316 3.742 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.848 4.545 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 6 74.885 2.364 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 6 73.600 0.288 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 6 72.832 1.256 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.154 1.259 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 6 74.827 1.423 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 6 73.379 2.392 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 6 74.933 3.199 -8.113 1.00 0.00 H new ATOM 105 N SER A 7 74.664 5.205 -3.665 1.00 0.00 N ATOM 106 CA SER A 7 75.882 5.431 -2.895 1.00 0.00 C ATOM 107 C SER A 7 75.617 5.212 -1.407 1.00 0.00 C ATOM 108 O SER A 7 76.500 4.799 -0.659 1.00 0.00 O ATOM 109 CB SER A 7 76.395 6.856 -3.107 1.00 0.00 C ATOM 110 OG SER A 7 77.299 6.870 -4.204 1.00 0.00 O ATOM 0 H SER A 7 74.284 6.038 -4.114 1.00 0.00 H new ATOM 0 HA SER A 7 76.635 4.722 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.561 7.531 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.893 7.214 -2.206 1.00 0.00 H new ATOM 0 HG SER A 7 77.629 7.782 -4.344 1.00 0.00 H new ATOM 116 N ASP A 8 74.386 5.497 -0.988 1.00 0.00 N ATOM 117 CA ASP A 8 74.009 5.334 0.409 1.00 0.00 C ATOM 118 C ASP A 8 73.957 3.857 0.785 1.00 0.00 C ATOM 119 O ASP A 8 74.707 3.394 1.642 1.00 0.00 O ATOM 120 CB ASP A 8 72.631 5.950 0.660 1.00 0.00 C ATOM 121 CG ASP A 8 72.717 7.472 0.591 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.773 8.006 0.893 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.720 8.083 0.240 1.00 0.00 O ATOM 0 H ASP A 8 73.639 5.839 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 8 74.759 5.838 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.920 5.584 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.259 5.643 1.638 1.00 0.00 H new ATOM 128 N LEU A 9 73.051 3.127 0.137 1.00 0.00 N ATOM 129 CA LEU A 9 72.881 1.697 0.407 1.00 0.00 C ATOM 130 C LEU A 9 74.205 0.946 0.287 1.00 0.00 C ATOM 131 O LEU A 9 74.540 0.114 1.129 1.00 0.00 O ATOM 132 CB LEU A 9 71.876 1.091 -0.578 1.00 0.00 C ATOM 133 CG LEU A 9 71.664 -0.422 -0.453 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.678 -0.708 0.680 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.101 -0.964 -1.768 1.00 0.00 C ATOM 0 H LEU A 9 72.424 3.499 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 9 72.512 1.597 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 9 70.915 1.588 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.209 1.312 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 9 72.616 -0.907 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.528 -1.784 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 9 71.077 -0.319 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.725 -0.225 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 9 70.949 -2.040 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.149 -0.479 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.803 -0.760 -2.576 1.00 0.00 H new ATOM 147 N LEU A 10 74.947 1.242 -0.775 1.00 0.00 N ATOM 148 CA LEU A 10 76.231 0.578 -1.009 1.00 0.00 C ATOM 149 C LEU A 10 77.175 0.769 0.180 1.00 0.00 C ATOM 150 O LEU A 10 77.769 -0.187 0.675 1.00 0.00 O ATOM 151 CB LEU A 10 76.879 1.117 -2.289 1.00 0.00 C ATOM 152 CG LEU A 10 76.602 0.291 -3.557 1.00 0.00 C ATOM 153 CD1 LEU A 10 75.101 -0.007 -3.674 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.061 1.074 -4.794 1.00 0.00 C ATOM 0 H LEU A 10 74.688 1.930 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 10 76.044 -0.489 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.529 2.136 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.957 1.171 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 10 77.151 -0.648 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.915 -0.592 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 10 74.773 -0.571 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 10 74.547 0.930 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.864 0.486 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.517 2.017 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.130 1.276 -4.721 1.00 0.00 H new ATOM 166 N THR A 11 77.299 2.011 0.637 1.00 0.00 N ATOM 167 CA THR A 11 78.155 2.329 1.767 1.00 0.00 C ATOM 168 C THR A 11 77.751 1.513 2.997 1.00 0.00 C ATOM 169 O THR A 11 78.590 0.915 3.670 1.00 0.00 O ATOM 170 CB THR A 11 78.031 3.821 2.072 1.00 0.00 C ATOM 171 OG1 THR A 11 78.403 4.570 0.924 1.00 0.00 O ATOM 172 CG2 THR A 11 78.937 4.187 3.230 1.00 0.00 C ATOM 0 H THR A 11 76.814 2.815 0.238 1.00 0.00 H new ATOM 0 HA THR A 11 79.187 2.081 1.518 1.00 0.00 H new ATOM 0 HB THR A 11 76.999 4.049 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.597 4.888 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 11 78.844 5.252 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.649 3.615 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 11 79.970 3.958 2.970 1.00 0.00 H new ATOM 180 N LEU A 12 76.458 1.492 3.280 1.00 0.00 N ATOM 181 CA LEU A 12 75.965 0.733 4.421 1.00 0.00 C ATOM 182 C LEU A 12 76.191 -0.752 4.172 1.00 0.00 C ATOM 183 O LEU A 12 76.483 -1.516 5.093 1.00 0.00 O ATOM 184 CB LEU A 12 74.474 0.983 4.640 1.00 0.00 C ATOM 185 CG LEU A 12 74.068 2.454 4.703 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.557 2.560 4.923 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.800 3.136 5.860 1.00 0.00 C ATOM 0 H LEU A 12 75.740 1.983 2.746 1.00 0.00 H new ATOM 0 HA LEU A 12 76.506 1.055 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.918 0.503 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.172 0.498 5.569 1.00 0.00 H new ATOM 0 HG LEU A 12 74.333 2.943 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.269 3.610 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.034 2.075 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.290 2.070 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.511 4.186 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.536 2.646 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.876 3.063 5.703 1.00 0.00 H new ATOM 199 N LEU A 13 76.052 -1.151 2.908 1.00 0.00 N ATOM 200 CA LEU A 13 76.240 -2.549 2.539 1.00 0.00 C ATOM 201 C LEU A 13 77.702 -2.954 2.696 1.00 0.00 C ATOM 202 O LEU A 13 78.013 -3.926 3.385 1.00 0.00 O ATOM 203 CB LEU A 13 75.776 -2.809 1.099 1.00 0.00 C ATOM 204 CG LEU A 13 74.644 -3.835 0.967 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.346 -4.089 -0.511 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.065 -5.148 1.635 1.00 0.00 C ATOM 0 H LEU A 13 75.813 -0.533 2.133 1.00 0.00 H new ATOM 0 HA LEU A 13 75.631 -3.154 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.447 -1.866 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.629 -3.151 0.513 1.00 0.00 H new ATOM 0 HG LEU A 13 73.749 -3.448 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.541 -4.819 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.044 -3.156 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.240 -4.474 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.261 -5.878 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.962 -5.532 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.272 -4.969 2.690 1.00 0.00 H new ATOM 218 N ARG A 14 78.604 -2.198 2.068 1.00 0.00 N ATOM 219 CA ARG A 14 80.027 -2.512 2.184 1.00 0.00 C ATOM 220 C ARG A 14 80.472 -2.374 3.640 1.00 0.00 C ATOM 221 O ARG A 14 81.417 -3.030 4.078 1.00 0.00 O ATOM 222 CB ARG A 14 80.882 -1.600 1.295 1.00 0.00 C ATOM 223 CG ARG A 14 80.622 -0.138 1.645 1.00 0.00 C ATOM 224 CD ARG A 14 81.646 0.335 2.679 1.00 0.00 C ATOM 225 NE ARG A 14 81.719 1.798 2.708 1.00 0.00 N ATOM 226 CZ ARG A 14 82.725 2.449 3.309 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.691 1.800 3.917 1.00 0.00 N ATOM 228 NH2 ARG A 14 82.741 3.755 3.295 1.00 0.00 N ATOM 0 H ARG A 14 78.383 -1.387 1.490 1.00 0.00 H new ATOM 0 HA ARG A 14 80.170 -3.539 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.938 -1.833 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.648 -1.778 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.686 0.478 0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.613 -0.023 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.373 -0.040 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.626 -0.078 2.442 1.00 0.00 H new ATOM 0 HE ARG A 14 80.981 2.338 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.686 0.780 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 14 84.447 2.316 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 14 81.993 4.269 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 14 83.502 4.261 3.749 1.00 0.00 H new ATOM 242 N GLU A 15 79.762 -1.529 4.395 1.00 0.00 N ATOM 243 CA GLU A 15 80.078 -1.336 5.803 1.00 0.00 C ATOM 244 C GLU A 15 79.811 -2.631 6.555 1.00 0.00 C ATOM 245 O GLU A 15 80.679 -3.160 7.250 1.00 0.00 O ATOM 246 CB GLU A 15 79.215 -0.219 6.399 1.00 0.00 C ATOM 247 CG GLU A 15 79.655 0.065 7.840 1.00 0.00 C ATOM 248 CD GLU A 15 80.537 1.310 7.872 1.00 0.00 C ATOM 249 OE1 GLU A 15 81.670 1.221 7.431 1.00 0.00 O ATOM 250 OE2 GLU A 15 80.065 2.334 8.339 1.00 0.00 O ATOM 0 H GLU A 15 78.975 -0.977 4.055 1.00 0.00 H new ATOM 0 HA GLU A 15 81.127 -1.056 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.307 0.685 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.165 -0.509 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.781 0.210 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.201 -0.790 8.239 1.00 0.00 H new ATOM 257 N CYS A 16 78.596 -3.146 6.387 1.00 0.00 N ATOM 258 CA CYS A 16 78.209 -4.397 7.030 1.00 0.00 C ATOM 259 C CYS A 16 79.089 -5.528 6.520 1.00 0.00 C ATOM 260 O CYS A 16 79.494 -6.415 7.272 1.00 0.00 O ATOM 261 CB CYS A 16 76.756 -4.728 6.707 1.00 0.00 C ATOM 262 SG CYS A 16 76.086 -5.809 7.993 1.00 0.00 S ATOM 0 H CYS A 16 77.867 -2.719 5.815 1.00 0.00 H new ATOM 0 HA CYS A 16 78.328 -4.285 8.108 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.168 -3.812 6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.690 -5.217 5.735 1.00 0.00 H new ATOM 0 HG CYS A 16 75.755 -5.097 9.029 1.00 0.00 H new ATOM 268 N ALA A 17 79.379 -5.477 5.224 1.00 0.00 N ATOM 269 CA ALA A 17 80.218 -6.495 4.593 1.00 0.00 C ATOM 270 C ALA A 17 81.593 -6.544 5.256 1.00 0.00 C ATOM 271 O ALA A 17 82.228 -7.596 5.324 1.00 0.00 O ATOM 272 CB ALA A 17 80.393 -6.194 3.103 1.00 0.00 C ATOM 0 H ALA A 17 79.049 -4.748 4.592 1.00 0.00 H new ATOM 0 HA ALA A 17 79.724 -7.459 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.020 -6.961 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.418 -6.187 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.866 -5.220 2.982 1.00 0.00 H new ATOM 417 N VAL A 29 77.292 -3.267 -10.187 1.00 0.00 N ATOM 418 CA VAL A 29 76.525 -4.314 -9.515 1.00 0.00 C ATOM 419 C VAL A 29 75.215 -3.754 -8.966 1.00 0.00 C ATOM 420 O VAL A 29 74.701 -4.225 -7.953 1.00 0.00 O ATOM 421 CB VAL A 29 77.333 -4.910 -8.361 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.545 -5.658 -8.918 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.809 -3.787 -7.437 1.00 0.00 C ATOM 0 HA VAL A 29 76.307 -5.091 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 29 76.705 -5.602 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 29 79.120 -6.082 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.207 -6.459 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 79.172 -4.967 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.385 -4.212 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.436 -3.094 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.946 -3.254 -7.038 1.00 0.00 H new ATOM 433 N GLU A 30 74.681 -2.745 -9.649 1.00 0.00 N ATOM 434 CA GLU A 30 73.432 -2.128 -9.223 1.00 0.00 C ATOM 435 C GLU A 30 72.235 -2.979 -9.651 1.00 0.00 C ATOM 436 O GLU A 30 71.187 -2.974 -9.002 1.00 0.00 O ATOM 437 CB GLU A 30 73.307 -0.727 -9.830 1.00 0.00 C ATOM 438 CG GLU A 30 73.297 -0.813 -11.362 1.00 0.00 C ATOM 439 CD GLU A 30 74.150 0.310 -11.948 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.733 1.453 -11.856 1.00 0.00 O ATOM 441 OE2 GLU A 30 75.205 0.010 -12.480 1.00 0.00 O ATOM 0 H GLU A 30 75.090 -2.342 -10.492 1.00 0.00 H new ATOM 0 HA GLU A 30 73.440 -2.055 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.391 -0.251 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.138 -0.104 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.682 -1.781 -11.684 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.275 -0.737 -11.733 1.00 0.00 H new ATOM 448 N ASP A 31 72.406 -3.706 -10.754 1.00 0.00 N ATOM 449 CA ASP A 31 71.340 -4.560 -11.271 1.00 0.00 C ATOM 450 C ASP A 31 71.710 -6.036 -11.120 1.00 0.00 C ATOM 451 O ASP A 31 71.236 -6.888 -11.871 1.00 0.00 O ATOM 452 CB ASP A 31 71.087 -4.259 -12.750 1.00 0.00 C ATOM 453 CG ASP A 31 70.221 -3.009 -12.873 1.00 0.00 C ATOM 454 OD1 ASP A 31 69.022 -3.123 -12.684 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.771 -1.957 -13.155 1.00 0.00 O ATOM 0 H ASP A 31 73.266 -3.721 -11.303 1.00 0.00 H new ATOM 0 HA ASP A 31 70.437 -4.354 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.034 -4.111 -13.269 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.592 -5.106 -13.225 1.00 0.00 H new ATOM 460 N VAL A 32 72.560 -6.330 -10.136 1.00 0.00 N ATOM 461 CA VAL A 32 72.983 -7.705 -9.887 1.00 0.00 C ATOM 462 C VAL A 32 72.560 -8.128 -8.484 1.00 0.00 C ATOM 463 O VAL A 32 72.980 -7.533 -7.491 1.00 0.00 O ATOM 464 CB VAL A 32 74.503 -7.827 -10.014 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.906 -9.298 -9.926 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.950 -7.258 -11.363 1.00 0.00 C ATOM 0 H VAL A 32 72.965 -5.640 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 32 72.511 -8.353 -10.625 1.00 0.00 H new ATOM 0 HB VAL A 32 74.980 -7.270 -9.207 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.989 -9.385 -10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.588 -9.705 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.429 -9.855 -10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.033 -7.345 -11.454 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.473 -7.815 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.663 -6.208 -11.428 1.00 0.00 H new ATOM 476 N ALA A 33 71.710 -9.158 -8.414 1.00 0.00 N ATOM 477 CA ALA A 33 71.204 -9.660 -7.126 1.00 0.00 C ATOM 478 C ALA A 33 72.310 -9.770 -6.075 1.00 0.00 C ATOM 479 O ALA A 33 73.469 -10.037 -6.393 1.00 0.00 O ATOM 480 CB ALA A 33 70.562 -11.036 -7.303 1.00 0.00 C ATOM 0 H ALA A 33 71.357 -9.660 -9.229 1.00 0.00 H new ATOM 0 HA ALA A 33 70.464 -8.938 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.193 -11.392 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.731 -10.962 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.303 -11.736 -7.689 1.00 0.00 H new ATOM 486 N PHE A 34 71.928 -9.555 -4.815 1.00 0.00 N ATOM 487 CA PHE A 34 72.881 -9.621 -3.704 1.00 0.00 C ATOM 488 C PHE A 34 73.606 -10.966 -3.684 1.00 0.00 C ATOM 489 O PHE A 34 74.778 -11.050 -3.317 1.00 0.00 O ATOM 490 CB PHE A 34 72.157 -9.434 -2.369 1.00 0.00 C ATOM 491 CG PHE A 34 71.397 -8.127 -2.376 1.00 0.00 C ATOM 492 CD1 PHE A 34 72.077 -6.920 -2.580 1.00 0.00 C ATOM 493 CD2 PHE A 34 70.011 -8.123 -2.174 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.372 -5.711 -2.581 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.307 -6.913 -2.176 1.00 0.00 C ATOM 496 CZ PHE A 34 69.987 -5.707 -2.379 1.00 0.00 C ATOM 0 H PHE A 34 70.971 -9.335 -4.538 1.00 0.00 H new ATOM 0 HA PHE A 34 73.609 -8.822 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.471 -10.263 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.877 -9.442 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.146 -6.922 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.485 -9.053 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.897 -4.780 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.238 -6.910 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.444 -4.774 -2.380 1.00 0.00 H new ATOM 506 N ASP A 35 72.894 -12.016 -4.079 1.00 0.00 N ATOM 507 CA ASP A 35 73.471 -13.355 -4.102 1.00 0.00 C ATOM 508 C ASP A 35 74.658 -13.412 -5.060 1.00 0.00 C ATOM 509 O ASP A 35 75.649 -14.094 -4.803 1.00 0.00 O ATOM 510 CB ASP A 35 72.421 -14.372 -4.545 1.00 0.00 C ATOM 511 CG ASP A 35 71.823 -13.942 -5.880 1.00 0.00 C ATOM 512 OD1 ASP A 35 72.459 -14.177 -6.894 1.00 0.00 O ATOM 513 OD2 ASP A 35 70.738 -13.384 -5.869 1.00 0.00 O ATOM 0 H ASP A 35 71.922 -11.967 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 35 73.812 -13.595 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.873 -15.359 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 35 71.637 -14.451 -3.792 1.00 0.00 H new ATOM 518 N ALA A 36 74.540 -12.690 -6.169 1.00 0.00 N ATOM 519 CA ALA A 36 75.602 -12.665 -7.167 1.00 0.00 C ATOM 520 C ALA A 36 76.798 -11.860 -6.662 1.00 0.00 C ATOM 521 O ALA A 36 77.951 -12.223 -6.894 1.00 0.00 O ATOM 522 CB ALA A 36 75.089 -12.050 -8.474 1.00 0.00 C ATOM 0 H ALA A 36 73.727 -12.119 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 36 75.918 -13.692 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 36 75.893 -12.038 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.258 -12.644 -8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.751 -11.030 -8.288 1.00 0.00 H new ATOM 528 N LEU A 37 76.510 -10.761 -5.968 1.00 0.00 N ATOM 529 CA LEU A 37 77.574 -9.912 -5.435 1.00 0.00 C ATOM 530 C LEU A 37 78.419 -10.685 -4.430 1.00 0.00 C ATOM 531 O LEU A 37 79.623 -10.460 -4.305 1.00 0.00 O ATOM 532 CB LEU A 37 76.990 -8.673 -4.746 1.00 0.00 C ATOM 533 CG LEU A 37 75.761 -8.054 -5.424 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.438 -6.714 -4.762 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.049 -7.826 -6.911 1.00 0.00 C ATOM 0 H LEU A 37 75.564 -10.440 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 37 78.197 -9.597 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.722 -8.940 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.769 -7.913 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 37 74.913 -8.731 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.565 -6.272 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 37 75.229 -6.872 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 37 76.289 -6.042 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.173 -7.386 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.898 -7.151 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.281 -8.779 -7.387 1.00 0.00 H new ATOM 547 N GLY A 38 77.774 -11.601 -3.714 1.00 0.00 N ATOM 548 CA GLY A 38 78.475 -12.410 -2.721 1.00 0.00 C ATOM 549 C GLY A 38 77.925 -12.184 -1.310 1.00 0.00 C ATOM 550 O GLY A 38 78.527 -12.618 -0.328 1.00 0.00 O ATOM 0 H GLY A 38 76.778 -11.801 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.384 -13.464 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.538 -12.168 -2.740 1.00 0.00 H new ATOM 554 N TYR A 39 76.779 -11.506 -1.207 1.00 0.00 N ATOM 555 CA TYR A 39 76.182 -11.250 0.100 1.00 0.00 C ATOM 556 C TYR A 39 75.474 -12.501 0.611 1.00 0.00 C ATOM 557 O TYR A 39 74.955 -13.299 -0.168 1.00 0.00 O ATOM 558 CB TYR A 39 75.171 -10.106 0.011 1.00 0.00 C ATOM 559 CG TYR A 39 75.903 -8.791 -0.112 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.797 -8.391 0.889 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.689 -7.972 -1.227 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.475 -7.171 0.775 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.368 -6.753 -1.340 1.00 0.00 C ATOM 564 CZ TYR A 39 77.260 -6.352 -0.340 1.00 0.00 C ATOM 565 OH TYR A 39 77.929 -5.150 -0.452 1.00 0.00 O ATOM 0 H TYR A 39 76.256 -11.132 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 39 76.980 -10.974 0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.517 -10.251 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.536 -10.099 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.964 -9.023 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 39 75.000 -8.280 -2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.164 -6.862 1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.203 -6.121 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 39 77.666 -4.706 -1.285 1.00 0.00 H new ATOM 575 N ASP A 40 75.457 -12.662 1.932 1.00 0.00 N ATOM 576 CA ASP A 40 74.807 -13.820 2.539 1.00 0.00 C ATOM 577 C ASP A 40 73.336 -13.520 2.792 1.00 0.00 C ATOM 578 O ASP A 40 72.450 -14.038 2.112 1.00 0.00 O ATOM 579 CB ASP A 40 75.486 -14.183 3.863 1.00 0.00 C ATOM 580 CG ASP A 40 76.721 -15.032 3.585 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.668 -15.838 2.671 1.00 0.00 O ATOM 582 OD2 ASP A 40 77.702 -14.863 4.292 1.00 0.00 O ATOM 0 H ASP A 40 75.881 -12.014 2.596 1.00 0.00 H new ATOM 0 HA ASP A 40 74.894 -14.662 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.768 -13.277 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.792 -14.729 4.502 1.00 0.00 H new ATOM 587 N SER A 41 73.094 -12.674 3.784 1.00 0.00 N ATOM 588 CA SER A 41 71.737 -12.280 4.153 1.00 0.00 C ATOM 589 C SER A 41 71.793 -11.473 5.435 1.00 0.00 C ATOM 590 O SER A 41 71.222 -10.386 5.535 1.00 0.00 O ATOM 591 CB SER A 41 70.840 -13.504 4.376 1.00 0.00 C ATOM 592 OG SER A 41 70.197 -13.844 3.154 1.00 0.00 O ATOM 0 H SER A 41 73.824 -12.244 4.352 1.00 0.00 H new ATOM 0 HA SER A 41 71.317 -11.690 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 41 71.435 -14.345 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.097 -13.290 5.144 1.00 0.00 H new ATOM 0 HG SER A 41 70.844 -13.796 2.420 1.00 0.00 H new ATOM 598 N LEU A 42 72.508 -12.018 6.415 1.00 0.00 N ATOM 599 CA LEU A 42 72.652 -11.340 7.704 1.00 0.00 C ATOM 600 C LEU A 42 73.241 -9.938 7.521 1.00 0.00 C ATOM 601 O LEU A 42 73.053 -9.058 8.364 1.00 0.00 O ATOM 602 CB LEU A 42 73.507 -12.166 8.696 1.00 0.00 C ATOM 603 CG LEU A 42 75.022 -12.311 8.419 1.00 0.00 C ATOM 604 CD1 LEU A 42 75.274 -12.796 6.991 1.00 0.00 C ATOM 605 CD2 LEU A 42 75.738 -10.975 8.641 1.00 0.00 C ATOM 0 H LEU A 42 72.991 -12.914 6.346 1.00 0.00 H new ATOM 0 HA LEU A 42 71.654 -11.243 8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.391 -11.721 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.081 -13.168 8.746 1.00 0.00 H new ATOM 0 HG LEU A 42 75.418 -13.051 9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.347 -12.889 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.798 -13.766 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.857 -12.079 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.803 -11.095 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.325 -10.225 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 75.596 -10.653 9.673 1.00 0.00 H new ATOM 617 N ALA A 43 73.939 -9.729 6.402 1.00 0.00 N ATOM 618 CA ALA A 43 74.527 -8.427 6.125 1.00 0.00 C ATOM 619 C ALA A 43 73.437 -7.455 5.708 1.00 0.00 C ATOM 620 O ALA A 43 73.310 -6.366 6.263 1.00 0.00 O ATOM 621 CB ALA A 43 75.564 -8.530 5.004 1.00 0.00 C ATOM 0 H ALA A 43 74.106 -10.436 5.686 1.00 0.00 H new ATOM 0 HA ALA A 43 75.019 -8.070 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.992 -7.546 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.355 -9.218 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.085 -8.900 4.098 1.00 0.00 H new ATOM 627 N LEU A 44 72.638 -7.872 4.731 1.00 0.00 N ATOM 628 CA LEU A 44 71.542 -7.038 4.247 1.00 0.00 C ATOM 629 C LEU A 44 70.550 -6.784 5.370 1.00 0.00 C ATOM 630 O LEU A 44 70.015 -5.687 5.516 1.00 0.00 O ATOM 631 CB LEU A 44 70.815 -7.722 3.090 1.00 0.00 C ATOM 632 CG LEU A 44 71.670 -7.986 1.851 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.794 -8.570 0.743 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.287 -6.672 1.371 1.00 0.00 C ATOM 0 H LEU A 44 72.727 -8.774 4.262 1.00 0.00 H new ATOM 0 HA LEU A 44 71.961 -6.094 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.414 -8.672 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.964 -7.105 2.800 1.00 0.00 H new ATOM 0 HG LEU A 44 72.462 -8.692 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.403 -8.759 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.351 -9.505 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.003 -7.863 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.897 -6.858 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.494 -5.967 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.910 -6.253 2.161 1.00 0.00 H new ATOM 646 N LEU A 45 70.319 -7.819 6.172 1.00 0.00 N ATOM 647 CA LEU A 45 69.392 -7.717 7.300 1.00 0.00 C ATOM 648 C LEU A 45 69.789 -6.562 8.220 1.00 0.00 C ATOM 649 O LEU A 45 68.956 -5.744 8.611 1.00 0.00 O ATOM 650 CB LEU A 45 69.383 -9.035 8.091 1.00 0.00 C ATOM 651 CG LEU A 45 68.718 -8.993 9.474 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.329 -8.361 9.360 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.582 -10.418 10.016 1.00 0.00 C ATOM 0 H LEU A 45 70.757 -8.734 6.065 1.00 0.00 H new ATOM 0 HA LEU A 45 68.392 -7.523 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.877 -9.791 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.414 -9.366 8.217 1.00 0.00 H new ATOM 0 HG LEU A 45 69.332 -8.399 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.860 -8.333 10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.422 -7.346 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.714 -8.953 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.110 -10.390 10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.969 -11.009 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.570 -10.871 10.101 1.00 0.00 H new ATOM 665 N ASN A 46 71.071 -6.508 8.559 1.00 0.00 N ATOM 666 CA ASN A 46 71.569 -5.453 9.432 1.00 0.00 C ATOM 667 C ASN A 46 71.577 -4.110 8.707 1.00 0.00 C ATOM 668 O ASN A 46 71.111 -3.101 9.236 1.00 0.00 O ATOM 669 CB ASN A 46 72.990 -5.769 9.896 1.00 0.00 C ATOM 670 CG ASN A 46 72.998 -7.081 10.667 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.085 -7.359 11.445 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.986 -7.915 10.494 1.00 0.00 N ATOM 0 H ASN A 46 71.778 -7.174 8.247 1.00 0.00 H new ATOM 0 HA ASN A 46 70.905 -5.396 10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.657 -5.837 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.365 -4.963 10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 46 74.003 -8.799 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.742 -7.684 9.849 1.00 0.00 H new ATOM 679 N THR A 47 72.125 -4.107 7.494 1.00 0.00 N ATOM 680 CA THR A 47 72.204 -2.879 6.707 1.00 0.00 C ATOM 681 C THR A 47 70.817 -2.300 6.445 1.00 0.00 C ATOM 682 O THR A 47 70.567 -1.120 6.691 1.00 0.00 O ATOM 683 CB THR A 47 72.897 -3.142 5.368 1.00 0.00 C ATOM 684 OG1 THR A 47 73.927 -4.102 5.548 1.00 0.00 O ATOM 685 CG2 THR A 47 73.507 -1.844 4.847 1.00 0.00 C ATOM 0 H THR A 47 72.517 -4.931 7.039 1.00 0.00 H new ATOM 0 HA THR A 47 72.784 -2.159 7.284 1.00 0.00 H new ATOM 0 HB THR A 47 72.167 -3.518 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.568 -5.000 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.001 -2.031 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.721 -1.102 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.236 -1.470 5.566 1.00 0.00 H new ATOM 693 N VAL A 48 69.919 -3.139 5.943 1.00 0.00 N ATOM 694 CA VAL A 48 68.558 -2.692 5.649 1.00 0.00 C ATOM 695 C VAL A 48 67.858 -2.244 6.931 1.00 0.00 C ATOM 696 O VAL A 48 67.010 -1.352 6.907 1.00 0.00 O ATOM 697 CB VAL A 48 67.749 -3.815 4.988 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.364 -3.295 4.590 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.482 -4.298 3.734 1.00 0.00 C ATOM 0 H VAL A 48 70.102 -4.120 5.732 1.00 0.00 H new ATOM 0 HA VAL A 48 68.620 -1.850 4.960 1.00 0.00 H new ATOM 0 HB VAL A 48 67.638 -4.638 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.795 -4.098 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.837 -2.947 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.474 -2.469 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.909 -5.096 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.592 -3.469 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.467 -4.673 4.010 1.00 0.00 H new ATOM 709 N GLY A 49 68.222 -2.869 8.047 1.00 0.00 N ATOM 710 CA GLY A 49 67.622 -2.520 9.331 1.00 0.00 C ATOM 711 C GLY A 49 68.005 -1.101 9.740 1.00 0.00 C ATOM 712 O GLY A 49 67.205 -0.364 10.321 1.00 0.00 O ATOM 0 H GLY A 49 68.921 -3.611 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.537 -2.604 9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.951 -3.225 10.095 1.00 0.00 H new ATOM 716 N ARG A 50 69.242 -0.726 9.431 1.00 0.00 N ATOM 717 CA ARG A 50 69.730 0.604 9.773 1.00 0.00 C ATOM 718 C ARG A 50 69.028 1.666 8.935 1.00 0.00 C ATOM 719 O ARG A 50 68.735 2.758 9.416 1.00 0.00 O ATOM 720 CB ARG A 50 71.238 0.700 9.539 1.00 0.00 C ATOM 721 CG ARG A 50 71.785 1.948 10.234 1.00 0.00 C ATOM 722 CD ARG A 50 72.182 1.600 11.669 1.00 0.00 C ATOM 723 NE ARG A 50 73.262 0.611 11.682 1.00 0.00 N ATOM 724 CZ ARG A 50 73.773 0.127 12.823 1.00 0.00 C ATOM 725 NH1 ARG A 50 73.324 0.522 13.991 1.00 0.00 N ATOM 726 NH2 ARG A 50 74.735 -0.755 12.771 1.00 0.00 N ATOM 0 H ARG A 50 69.919 -1.318 8.949 1.00 0.00 H new ATOM 0 HA ARG A 50 69.515 0.776 10.828 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.734 -0.191 9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.449 0.744 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 50 72.648 2.332 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.032 2.736 10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 50 72.501 2.501 12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 50 71.318 1.209 12.206 1.00 0.00 H new ATOM 0 HE ARG A 50 73.638 0.279 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 50 72.572 1.210 14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 50 73.727 0.141 14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.091 -1.069 11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 50 75.131 -1.129 13.633 1.00 0.00 H new ATOM 740 N ILE A 51 68.762 1.335 7.677 1.00 0.00 N ATOM 741 CA ILE A 51 68.093 2.274 6.782 1.00 0.00 C ATOM 742 C ILE A 51 66.648 2.482 7.221 1.00 0.00 C ATOM 743 O ILE A 51 66.182 3.611 7.340 1.00 0.00 O ATOM 744 CB ILE A 51 68.112 1.763 5.339 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.551 1.433 4.929 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.557 2.844 4.405 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.544 0.318 3.880 1.00 0.00 C ATOM 0 H ILE A 51 68.995 0.435 7.257 1.00 0.00 H new ATOM 0 HA ILE A 51 68.630 3.221 6.829 1.00 0.00 H new ATOM 0 HB ILE A 51 67.497 0.866 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 51 70.038 2.321 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 70.126 1.122 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.571 2.479 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.533 3.082 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.172 3.741 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.569 0.085 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.074 -0.572 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 51 68.985 0.646 3.004 1.00 0.00 H new ATOM 759 N GLU A 52 65.942 1.383 7.459 1.00 0.00 N ATOM 760 CA GLU A 52 64.545 1.474 7.882 1.00 0.00 C ATOM 761 C GLU A 52 64.421 2.258 9.187 1.00 0.00 C ATOM 762 O GLU A 52 63.388 2.868 9.459 1.00 0.00 O ATOM 763 CB GLU A 52 63.939 0.080 8.070 1.00 0.00 C ATOM 764 CG GLU A 52 64.768 -0.709 9.085 1.00 0.00 C ATOM 765 CD GLU A 52 64.106 -2.057 9.346 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.941 -2.808 8.397 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.773 -2.320 10.490 1.00 0.00 O ATOM 0 H GLU A 52 66.303 0.433 7.369 1.00 0.00 H new ATOM 0 HA GLU A 52 63.999 1.998 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.908 0.164 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.914 -0.448 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.780 -0.856 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.853 -0.148 10.015 1.00 0.00 H new ATOM 774 N ARG A 53 65.480 2.235 9.997 1.00 0.00 N ATOM 775 CA ARG A 53 65.456 2.953 11.269 1.00 0.00 C ATOM 776 C ARG A 53 65.987 4.376 11.104 1.00 0.00 C ATOM 777 O ARG A 53 65.425 5.328 11.644 1.00 0.00 O ATOM 778 CB ARG A 53 66.303 2.223 12.313 1.00 0.00 C ATOM 779 CG ARG A 53 65.844 2.624 13.715 1.00 0.00 C ATOM 780 CD ARG A 53 64.793 1.630 14.214 1.00 0.00 C ATOM 781 NE ARG A 53 64.896 1.455 15.664 1.00 0.00 N ATOM 782 CZ ARG A 53 64.307 0.433 16.303 1.00 0.00 C ATOM 783 NH1 ARG A 53 63.605 -0.463 15.650 1.00 0.00 N ATOM 784 NH2 ARG A 53 64.433 0.327 17.597 1.00 0.00 N ATOM 0 H ARG A 53 66.348 1.737 9.800 1.00 0.00 H new ATOM 0 HA ARG A 53 64.419 2.995 11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.209 1.145 12.183 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.356 2.470 12.179 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.695 2.642 14.396 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.428 3.631 13.698 1.00 0.00 H new ATOM 0 HD2 ARG A 53 63.796 1.986 13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 53 64.927 0.670 13.716 1.00 0.00 H new ATOM 0 HE ARG A 53 65.433 2.132 16.206 1.00 0.00 H new ATOM 0 HH11 ARG A 53 63.499 -0.390 14.638 1.00 0.00 H new ATOM 0 HH12 ARG A 53 63.165 -1.233 16.154 1.00 0.00 H new ATOM 0 HH21 ARG A 53 64.976 1.018 18.115 1.00 0.00 H new ATOM 0 HH22 ARG A 53 63.989 -0.447 18.091 1.00 0.00 H new ATOM 798 N ASP A 54 67.079 4.505 10.361 1.00 0.00 N ATOM 799 CA ASP A 54 67.687 5.811 10.135 1.00 0.00 C ATOM 800 C ASP A 54 66.813 6.668 9.224 1.00 0.00 C ATOM 801 O ASP A 54 66.670 7.873 9.431 1.00 0.00 O ATOM 802 CB ASP A 54 69.066 5.651 9.495 1.00 0.00 C ATOM 803 CG ASP A 54 70.086 5.279 10.567 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.811 4.362 11.324 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.126 5.914 10.614 1.00 0.00 O ATOM 0 H ASP A 54 67.559 3.728 9.907 1.00 0.00 H new ATOM 0 HA ASP A 54 67.785 6.304 11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.034 4.880 8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.361 6.579 9.004 1.00 0.00 H new ATOM 810 N TYR A 55 66.234 6.033 8.210 1.00 0.00 N ATOM 811 CA TYR A 55 65.375 6.747 7.268 1.00 0.00 C ATOM 812 C TYR A 55 63.916 6.678 7.710 1.00 0.00 C ATOM 813 O TYR A 55 63.120 7.566 7.401 1.00 0.00 O ATOM 814 CB TYR A 55 65.499 6.148 5.863 1.00 0.00 C ATOM 815 CG TYR A 55 66.884 6.408 5.315 1.00 0.00 C ATOM 816 CD1 TYR A 55 68.000 5.812 5.916 1.00 0.00 C ATOM 817 CD2 TYR A 55 67.051 7.244 4.205 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.281 6.051 5.406 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.333 7.485 3.695 1.00 0.00 C ATOM 820 CZ TYR A 55 69.448 6.888 4.295 1.00 0.00 C ATOM 821 OH TYR A 55 70.711 7.124 3.793 1.00 0.00 O ATOM 0 H TYR A 55 66.341 5.037 8.019 1.00 0.00 H new ATOM 0 HA TYR A 55 65.698 7.788 7.248 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.307 5.076 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.749 6.586 5.204 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.872 5.168 6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.191 7.704 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.141 5.590 5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.461 8.131 2.839 1.00 0.00 H new ATOM 0 HH TYR A 55 70.649 7.725 3.021 1.00 0.00 H new ATOM 831 N GLY A 56 63.566 5.616 8.435 1.00 0.00 N ATOM 832 CA GLY A 56 62.194 5.453 8.906 1.00 0.00 C ATOM 833 C GLY A 56 61.289 4.978 7.774 1.00 0.00 C ATOM 834 O GLY A 56 60.114 5.338 7.704 1.00 0.00 O ATOM 0 H GLY A 56 64.203 4.867 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.168 4.734 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.825 6.399 9.301 1.00 0.00 H new ATOM 838 N VAL A 57 61.854 4.165 6.886 1.00 0.00 N ATOM 839 CA VAL A 57 61.098 3.641 5.751 1.00 0.00 C ATOM 840 C VAL A 57 60.522 2.266 6.093 1.00 0.00 C ATOM 841 O VAL A 57 61.173 1.453 6.749 1.00 0.00 O ATOM 842 CB VAL A 57 62.010 3.534 4.516 1.00 0.00 C ATOM 843 CG1 VAL A 57 63.209 2.637 4.836 1.00 0.00 C ATOM 844 CG2 VAL A 57 61.230 2.951 3.325 1.00 0.00 C ATOM 0 H VAL A 57 62.825 3.856 6.929 1.00 0.00 H new ATOM 0 HA VAL A 57 60.277 4.323 5.529 1.00 0.00 H new ATOM 0 HB VAL A 57 62.363 4.531 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.853 2.563 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.773 3.065 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.857 1.643 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.888 2.881 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 57 60.862 1.958 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 57 60.387 3.600 3.089 1.00 0.00 H new ATOM 854 N GLN A 58 59.295 2.014 5.636 1.00 0.00 N ATOM 855 CA GLN A 58 58.653 0.729 5.904 1.00 0.00 C ATOM 856 C GLN A 58 57.282 0.633 5.225 1.00 0.00 C ATOM 857 O GLN A 58 56.289 0.249 5.846 1.00 0.00 O ATOM 858 CB GLN A 58 58.480 0.522 7.411 1.00 0.00 C ATOM 859 CG GLN A 58 58.042 -0.919 7.673 1.00 0.00 C ATOM 860 CD GLN A 58 58.460 -1.332 9.080 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.718 -1.127 10.040 1.00 0.00 O ATOM 862 NE2 GLN A 58 59.617 -1.907 9.262 1.00 0.00 N ATOM 0 H GLN A 58 58.736 2.669 5.089 1.00 0.00 H new ATOM 0 HA GLN A 58 59.300 -0.048 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 58 59.416 0.730 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.738 1.217 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.961 -1.007 7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 58 58.493 -1.586 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 58 60.233 -2.077 8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 58 59.906 -2.186 10.200 1.00 0.00 H new ATOM 871 N LEU A 59 57.233 0.965 3.936 1.00 0.00 N ATOM 872 CA LEU A 59 55.962 0.881 3.201 1.00 0.00 C ATOM 873 C LEU A 59 55.651 -0.560 2.778 1.00 0.00 C ATOM 874 O LEU A 59 54.615 -0.821 2.168 1.00 0.00 O ATOM 875 CB LEU A 59 55.950 1.768 1.947 1.00 0.00 C ATOM 876 CG LEU A 59 57.290 1.948 1.229 1.00 0.00 C ATOM 877 CD1 LEU A 59 57.797 0.611 0.700 1.00 0.00 C ATOM 878 CD2 LEU A 59 57.108 2.910 0.057 1.00 0.00 C ATOM 0 H LEU A 59 58.031 1.286 3.387 1.00 0.00 H new ATOM 0 HA LEU A 59 55.199 1.237 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 59 55.236 1.348 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.578 2.753 2.229 1.00 0.00 H new ATOM 0 HG LEU A 59 58.016 2.348 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.750 0.758 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 59 57.931 -0.082 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.072 0.199 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.060 3.041 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.373 2.502 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.760 3.874 0.428 1.00 0.00 H new ATOM 890 N GLY A 60 56.546 -1.497 3.101 1.00 0.00 N ATOM 891 CA GLY A 60 56.325 -2.892 2.740 1.00 0.00 C ATOM 892 C GLY A 60 57.249 -3.812 3.527 1.00 0.00 C ATOM 893 O GLY A 60 58.468 -3.784 3.359 1.00 0.00 O ATOM 0 H GLY A 60 57.415 -1.316 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.287 -3.161 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.496 -3.026 1.672 1.00 0.00 H new ATOM 897 N ASP A 61 56.653 -4.633 4.389 1.00 0.00 N ATOM 898 CA ASP A 61 57.430 -5.567 5.201 1.00 0.00 C ATOM 899 C ASP A 61 58.183 -6.543 4.305 1.00 0.00 C ATOM 900 O ASP A 61 59.358 -6.843 4.530 1.00 0.00 O ATOM 901 CB ASP A 61 56.514 -6.354 6.139 1.00 0.00 C ATOM 902 CG ASP A 61 56.000 -5.433 7.241 1.00 0.00 C ATOM 903 OD1 ASP A 61 55.515 -4.364 6.912 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.098 -5.811 8.396 1.00 0.00 O ATOM 0 H ASP A 61 55.645 -4.671 4.543 1.00 0.00 H new ATOM 0 HA ASP A 61 58.141 -4.991 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 61 55.677 -6.772 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 61 57.057 -7.193 6.575 1.00 0.00 H new ATOM 909 N ASP A 62 57.495 -7.029 3.279 1.00 0.00 N ATOM 910 CA ASP A 62 58.104 -7.968 2.345 1.00 0.00 C ATOM 911 C ASP A 62 59.002 -7.251 1.332 1.00 0.00 C ATOM 912 O ASP A 62 59.630 -7.892 0.491 1.00 0.00 O ATOM 913 CB ASP A 62 57.029 -8.748 1.587 1.00 0.00 C ATOM 914 CG ASP A 62 56.064 -7.774 0.923 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.122 -7.363 1.580 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.281 -7.451 -0.233 1.00 0.00 O ATOM 0 H ASP A 62 56.525 -6.792 3.074 1.00 0.00 H new ATOM 0 HA ASP A 62 58.713 -8.654 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.491 -9.387 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.488 -9.401 2.272 1.00 0.00 H new ATOM 921 N ALA A 63 59.081 -5.917 1.424 1.00 0.00 N ATOM 922 CA ALA A 63 59.929 -5.149 0.517 1.00 0.00 C ATOM 923 C ALA A 63 61.369 -5.642 0.609 1.00 0.00 C ATOM 924 O ALA A 63 62.109 -5.644 -0.375 1.00 0.00 O ATOM 925 CB ALA A 63 59.891 -3.667 0.886 1.00 0.00 C ATOM 0 H ALA A 63 58.573 -5.358 2.109 1.00 0.00 H new ATOM 0 HA ALA A 63 59.556 -5.282 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.527 -3.105 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 63 58.867 -3.300 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.251 -3.537 1.906 1.00 0.00 H new ATOM 931 N VAL A 64 61.745 -6.073 1.809 1.00 0.00 N ATOM 932 CA VAL A 64 63.092 -6.585 2.034 1.00 0.00 C ATOM 933 C VAL A 64 63.277 -7.923 1.319 1.00 0.00 C ATOM 934 O VAL A 64 64.388 -8.287 0.933 1.00 0.00 O ATOM 935 CB VAL A 64 63.356 -6.772 3.532 1.00 0.00 C ATOM 936 CG1 VAL A 64 63.272 -5.414 4.234 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.310 -7.723 4.131 1.00 0.00 C ATOM 0 H VAL A 64 61.143 -6.078 2.633 1.00 0.00 H new ATOM 0 HA VAL A 64 63.800 -5.859 1.635 1.00 0.00 H new ATOM 0 HB VAL A 64 64.349 -7.198 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.459 -5.543 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.019 -4.740 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 64 62.278 -4.990 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.503 -7.852 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 64 61.314 -7.303 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.369 -8.690 3.632 1.00 0.00 H new ATOM 947 N GLU A 65 62.174 -8.654 1.147 1.00 0.00 N ATOM 948 CA GLU A 65 62.227 -9.948 0.480 1.00 0.00 C ATOM 949 C GLU A 65 62.391 -9.768 -1.025 1.00 0.00 C ATOM 950 O GLU A 65 63.306 -10.322 -1.636 1.00 0.00 O ATOM 951 CB GLU A 65 60.947 -10.742 0.750 1.00 0.00 C ATOM 952 CG GLU A 65 61.132 -12.186 0.277 1.00 0.00 C ATOM 953 CD GLU A 65 61.614 -13.046 1.440 1.00 0.00 C ATOM 954 OE1 GLU A 65 62.590 -12.666 2.066 1.00 0.00 O ATOM 955 OE2 GLU A 65 61.000 -14.070 1.688 1.00 0.00 O ATOM 0 H GLU A 65 61.244 -8.373 1.458 1.00 0.00 H new ATOM 0 HA GLU A 65 63.084 -10.494 0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.713 -10.724 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.106 -10.283 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.191 -12.576 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.853 -12.223 -0.539 1.00 0.00 H new ATOM 962 N LYS A 66 61.492 -8.986 -1.617 1.00 0.00 N ATOM 963 CA LYS A 66 61.540 -8.735 -3.056 1.00 0.00 C ATOM 964 C LYS A 66 62.856 -8.064 -3.440 1.00 0.00 C ATOM 965 O LYS A 66 63.375 -8.269 -4.537 1.00 0.00 O ATOM 966 CB LYS A 66 60.379 -7.834 -3.480 1.00 0.00 C ATOM 967 CG LYS A 66 59.084 -8.648 -3.512 1.00 0.00 C ATOM 968 CD LYS A 66 58.904 -9.268 -4.899 1.00 0.00 C ATOM 969 CE LYS A 66 58.451 -8.190 -5.885 1.00 0.00 C ATOM 970 NZ LYS A 66 57.002 -7.907 -5.681 1.00 0.00 N ATOM 0 H LYS A 66 60.728 -8.519 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 66 61.461 -9.695 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.280 -7.000 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.577 -7.407 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.115 -9.430 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.234 -8.008 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 66 59.841 -9.712 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.168 -10.070 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 66 59.034 -7.281 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 58.627 -8.521 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 56.561 -7.676 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.538 -8.745 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 56.894 -7.102 -5.031 1.00 0.00 H new ATOM 984 N ALA A 67 63.389 -7.261 -2.522 1.00 0.00 N ATOM 985 CA ALA A 67 64.648 -6.562 -2.771 1.00 0.00 C ATOM 986 C ALA A 67 65.774 -7.556 -3.038 1.00 0.00 C ATOM 987 O ALA A 67 66.360 -8.116 -2.111 1.00 0.00 O ATOM 988 CB ALA A 67 65.029 -5.699 -1.568 1.00 0.00 C ATOM 0 H ALA A 67 62.974 -7.079 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 67 64.507 -5.929 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 67 65.969 -5.186 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.246 -4.963 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.144 -6.332 -0.688 1.00 0.00 H new ATOM 994 N THR A 68 66.073 -7.763 -4.317 1.00 0.00 N ATOM 995 CA THR A 68 67.141 -8.683 -4.700 1.00 0.00 C ATOM 996 C THR A 68 68.402 -7.899 -5.056 1.00 0.00 C ATOM 997 O THR A 68 69.521 -8.363 -4.844 1.00 0.00 O ATOM 998 CB THR A 68 66.717 -9.538 -5.902 1.00 0.00 C ATOM 999 OG1 THR A 68 67.791 -10.389 -6.274 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.349 -8.635 -7.081 1.00 0.00 C ATOM 0 H THR A 68 65.597 -7.312 -5.099 1.00 0.00 H new ATOM 0 HA THR A 68 67.345 -9.340 -3.855 1.00 0.00 H new ATOM 0 HB THR A 68 65.849 -10.138 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.523 -10.938 -7.041 1.00 0.00 H new ATOM 0 HG21 THR A 68 66.049 -9.249 -7.930 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.524 -7.983 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.212 -8.029 -7.358 1.00 0.00 H new ATOM 1008 N THR A 69 68.201 -6.698 -5.595 1.00 0.00 N ATOM 1009 CA THR A 69 69.318 -5.838 -5.975 1.00 0.00 C ATOM 1010 C THR A 69 69.316 -4.587 -5.090 1.00 0.00 C ATOM 1011 O THR A 69 68.352 -4.346 -4.364 1.00 0.00 O ATOM 1012 CB THR A 69 69.203 -5.416 -7.456 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.975 -5.884 -7.998 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.365 -6.004 -8.260 1.00 0.00 C ATOM 0 H THR A 69 67.280 -6.301 -5.777 1.00 0.00 H new ATOM 0 HA THR A 69 70.247 -6.391 -5.841 1.00 0.00 H new ATOM 0 HB THR A 69 69.236 -4.328 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.907 -5.612 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 69 70.276 -5.701 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.309 -5.639 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 69 70.339 -7.092 -8.194 1.00 0.00 H new ATOM 1022 N PRO A 70 70.371 -3.761 -5.144 1.00 0.00 N ATOM 1023 CA PRO A 70 70.418 -2.536 -4.330 1.00 0.00 C ATOM 1024 C PRO A 70 69.424 -1.507 -4.840 1.00 0.00 C ATOM 1025 O PRO A 70 68.835 -0.751 -4.068 1.00 0.00 O ATOM 1026 CB PRO A 70 71.860 -2.073 -4.496 1.00 0.00 C ATOM 1027 CG PRO A 70 72.366 -2.689 -5.788 1.00 0.00 C ATOM 1028 CD PRO A 70 71.555 -3.967 -6.013 1.00 0.00 C ATOM 0 HA PRO A 70 70.146 -2.692 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.916 -0.985 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.469 -2.391 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.239 -1.998 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.430 -2.913 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.273 -4.088 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.116 -4.857 -5.729 1.00 0.00 H new ATOM 1036 N ARG A 71 69.215 -1.512 -6.155 1.00 0.00 N ATOM 1037 CA ARG A 71 68.257 -0.599 -6.762 1.00 0.00 C ATOM 1038 C ARG A 71 66.851 -0.881 -6.225 1.00 0.00 C ATOM 1039 O ARG A 71 65.994 0.004 -6.202 1.00 0.00 O ATOM 1040 CB ARG A 71 68.252 -0.758 -8.283 1.00 0.00 C ATOM 1041 CG ARG A 71 69.616 -0.351 -8.842 1.00 0.00 C ATOM 1042 CD ARG A 71 69.637 1.157 -9.090 1.00 0.00 C ATOM 1043 NE ARG A 71 70.492 1.481 -10.234 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.457 2.679 -10.835 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.649 3.625 -10.419 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.242 2.908 -11.851 1.00 0.00 N ATOM 0 H ARG A 71 69.691 -2.131 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 71 68.550 0.420 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.031 -1.791 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.468 -0.140 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.405 -0.626 -8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.814 -0.886 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.624 1.515 -9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.000 1.672 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 71 71.135 0.772 -10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.032 3.456 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.638 4.530 -10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.875 2.179 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.223 3.816 -12.315 1.00 0.00 H new ATOM 1060 N ALA A 72 66.622 -2.124 -5.787 1.00 0.00 N ATOM 1061 CA ALA A 72 65.320 -2.501 -5.246 1.00 0.00 C ATOM 1062 C ALA A 72 65.112 -1.848 -3.888 1.00 0.00 C ATOM 1063 O ALA A 72 64.114 -1.166 -3.654 1.00 0.00 O ATOM 1064 CB ALA A 72 65.220 -4.018 -5.089 1.00 0.00 C ATOM 0 H ALA A 72 67.313 -2.874 -5.797 1.00 0.00 H new ATOM 0 HA ALA A 72 64.552 -2.162 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.242 -4.278 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.349 -4.494 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 72 65.998 -4.366 -4.409 1.00 0.00 H new ATOM 1070 N LEU A 73 66.076 -2.059 -2.995 1.00 0.00 N ATOM 1071 CA LEU A 73 66.006 -1.479 -1.650 1.00 0.00 C ATOM 1072 C LEU A 73 65.852 0.034 -1.739 1.00 0.00 C ATOM 1073 O LEU A 73 65.025 0.633 -1.053 1.00 0.00 O ATOM 1074 CB LEU A 73 67.273 -1.794 -0.854 1.00 0.00 C ATOM 1075 CG LEU A 73 67.648 -3.274 -0.783 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.098 -3.412 -0.317 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.725 -3.985 0.208 1.00 0.00 C ATOM 0 H LEU A 73 66.908 -2.621 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 73 65.144 -1.914 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.105 -1.246 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.147 -1.419 0.162 1.00 0.00 H new ATOM 0 HG LEU A 73 67.540 -3.724 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.365 -4.468 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.757 -2.904 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.207 -2.962 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.991 -5.041 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.834 -3.534 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.691 -3.887 -0.123 1.00 0.00 H new ATOM 1089 N ILE A 74 66.653 0.644 -2.605 1.00 0.00 N ATOM 1090 CA ILE A 74 66.592 2.091 -2.792 1.00 0.00 C ATOM 1091 C ILE A 74 65.207 2.486 -3.304 1.00 0.00 C ATOM 1092 O ILE A 74 64.659 3.519 -2.924 1.00 0.00 O ATOM 1093 CB ILE A 74 67.657 2.556 -3.796 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.040 2.121 -3.310 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.628 4.083 -3.917 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.016 2.119 -4.488 1.00 0.00 C ATOM 0 H ILE A 74 67.345 0.167 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 74 66.783 2.570 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 74 67.448 2.110 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.393 2.798 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 74 68.986 1.127 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.386 4.406 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.645 4.402 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.833 4.529 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.002 1.809 -4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.664 1.425 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.078 3.122 -4.911 1.00 0.00 H new ATOM 1108 N GLU A 75 64.648 1.645 -4.169 1.00 0.00 N ATOM 1109 CA GLU A 75 63.324 1.913 -4.725 1.00 0.00 C ATOM 1110 C GLU A 75 62.282 1.960 -3.613 1.00 0.00 C ATOM 1111 O GLU A 75 61.505 2.909 -3.513 1.00 0.00 O ATOM 1112 CB GLU A 75 62.935 0.833 -5.738 1.00 0.00 C ATOM 1113 CG GLU A 75 63.328 1.284 -7.146 1.00 0.00 C ATOM 1114 CD GLU A 75 62.547 0.477 -8.176 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.856 -0.692 -8.342 1.00 0.00 O ATOM 1116 OE2 GLU A 75 61.651 1.037 -8.785 1.00 0.00 O ATOM 0 H GLU A 75 65.083 0.783 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 75 63.359 2.879 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.433 -0.105 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 75 61.862 0.646 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.122 2.347 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.399 1.147 -7.297 1.00 0.00 H new ATOM 1123 N MET A 76 62.277 0.927 -2.779 1.00 0.00 N ATOM 1124 CA MET A 76 61.328 0.862 -1.678 1.00 0.00 C ATOM 1125 C MET A 76 61.650 1.930 -0.633 1.00 0.00 C ATOM 1126 O MET A 76 60.752 2.493 -0.006 1.00 0.00 O ATOM 1127 CB MET A 76 61.361 -0.521 -1.021 1.00 0.00 C ATOM 1128 CG MET A 76 62.776 -0.838 -0.529 1.00 0.00 C ATOM 1129 SD MET A 76 62.763 -2.404 0.378 1.00 0.00 S ATOM 1130 CE MET A 76 62.762 -1.701 2.046 1.00 0.00 C ATOM 0 H MET A 76 62.912 0.132 -2.844 1.00 0.00 H new ATOM 0 HA MET A 76 60.331 1.042 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 76 60.662 -0.552 -0.185 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.038 -1.279 -1.735 1.00 0.00 H new ATOM 0 HG2 MET A 76 63.461 -0.901 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 76 63.137 -0.036 0.115 1.00 0.00 H new ATOM 0 HE1 MET A 76 62.754 -2.506 2.780 1.00 0.00 H new ATOM 0 HE2 MET A 76 63.655 -1.092 2.185 1.00 0.00 H new ATOM 0 HE3 MET A 76 61.876 -1.081 2.179 1.00 0.00 H new ATOM 1140 N THR A 77 62.940 2.209 -0.458 1.00 0.00 N ATOM 1141 CA THR A 77 63.362 3.216 0.511 1.00 0.00 C ATOM 1142 C THR A 77 63.020 4.614 0.005 1.00 0.00 C ATOM 1143 O THR A 77 62.727 5.515 0.787 1.00 0.00 O ATOM 1144 CB THR A 77 64.870 3.125 0.766 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.208 1.793 1.125 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.258 4.070 1.905 1.00 0.00 C ATOM 0 H THR A 77 63.701 1.759 -0.967 1.00 0.00 H new ATOM 0 HA THR A 77 62.832 3.028 1.444 1.00 0.00 H new ATOM 0 HB THR A 77 65.407 3.409 -0.139 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.450 1.289 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.331 4.003 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.999 5.093 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.721 3.788 2.811 1.00 0.00 H new ATOM 1154 N ASN A 78 63.054 4.784 -1.312 1.00 0.00 N ATOM 1155 CA ASN A 78 62.739 6.079 -1.906 1.00 0.00 C ATOM 1156 C ASN A 78 61.231 6.254 -2.017 1.00 0.00 C ATOM 1157 O ASN A 78 60.710 7.358 -1.884 1.00 0.00 O ATOM 1158 CB ASN A 78 63.353 6.197 -3.301 1.00 0.00 C ATOM 1159 CG ASN A 78 64.798 6.666 -3.187 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.129 7.788 -3.564 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.688 5.867 -2.678 1.00 0.00 N ATOM 0 H ASN A 78 63.293 4.053 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 78 63.155 6.854 -1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.312 5.234 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.778 6.900 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.658 6.172 -2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.417 4.935 -2.364 1.00 0.00 H new ATOM 1168 N ALA A 79 60.541 5.144 -2.265 1.00 0.00 N ATOM 1169 CA ALA A 79 59.088 5.168 -2.401 1.00 0.00 C ATOM 1170 C ALA A 79 58.437 5.642 -1.108 1.00 0.00 C ATOM 1171 O ALA A 79 57.477 6.413 -1.123 1.00 0.00 O ATOM 1172 CB ALA A 79 58.564 3.773 -2.750 1.00 0.00 C ATOM 0 H ALA A 79 60.962 4.221 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 79 58.834 5.861 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.479 3.806 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.004 3.444 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 79 58.836 3.074 -1.959 1.00 0.00 H new ATOM 1178 N SER A 80 58.966 5.172 0.014 1.00 0.00 N ATOM 1179 CA SER A 80 58.427 5.558 1.313 1.00 0.00 C ATOM 1180 C SER A 80 58.857 6.976 1.663 1.00 0.00 C ATOM 1181 O SER A 80 58.071 7.769 2.180 1.00 0.00 O ATOM 1182 CB SER A 80 58.903 4.590 2.400 1.00 0.00 C ATOM 1183 OG SER A 80 57.796 4.195 3.205 1.00 0.00 O ATOM 0 H SER A 80 59.758 4.531 0.053 1.00 0.00 H new ATOM 0 HA SER A 80 57.339 5.519 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 80 59.365 3.714 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.664 5.067 3.018 1.00 0.00 H new ATOM 0 HG SER A 80 58.023 4.309 4.152 1.00 0.00 H new ATOM 1189 N LEU A 81 60.114 7.285 1.376 1.00 0.00 N ATOM 1190 CA LEU A 81 60.645 8.607 1.662 1.00 0.00 C ATOM 1191 C LEU A 81 59.968 9.663 0.798 1.00 0.00 C ATOM 1192 O LEU A 81 59.550 10.711 1.291 1.00 0.00 O ATOM 1193 CB LEU A 81 62.151 8.624 1.396 1.00 0.00 C ATOM 1194 CG LEU A 81 63.050 8.053 2.510 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.340 6.942 3.307 1.00 0.00 C ATOM 1196 CD2 LEU A 81 64.327 7.485 1.884 1.00 0.00 C ATOM 0 H LEU A 81 60.780 6.642 0.948 1.00 0.00 H new ATOM 0 HA LEU A 81 60.450 8.836 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.343 8.063 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.453 9.654 1.208 1.00 0.00 H new ATOM 0 HG LEU A 81 63.286 8.863 3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.008 6.567 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 81 61.438 7.345 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 81 62.070 6.127 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 81 64.967 7.080 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 81 64.067 6.693 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 81 64.857 8.278 1.356 1.00 0.00 H new ATOM 1208 N THR A 82 59.865 9.382 -0.496 1.00 0.00 N ATOM 1209 CA THR A 82 59.234 10.332 -1.413 1.00 0.00 C ATOM 1210 C THR A 82 57.755 10.506 -1.068 1.00 0.00 C ATOM 1211 O THR A 82 57.181 11.579 -1.255 1.00 0.00 O ATOM 1212 CB THR A 82 59.378 9.873 -2.876 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.868 10.884 -3.734 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.605 8.571 -3.112 1.00 0.00 C ATOM 0 H THR A 82 60.202 8.523 -0.930 1.00 0.00 H new ATOM 0 HA THR A 82 59.743 11.289 -1.301 1.00 0.00 H new ATOM 0 HB THR A 82 60.433 9.697 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.959 10.598 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.719 8.263 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 82 58.996 7.792 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.549 8.730 -2.895 1.00 0.00 H new ATOM 1222 N GLY A 83 57.146 9.435 -0.560 1.00 0.00 N ATOM 1223 CA GLY A 83 55.734 9.479 -0.191 1.00 0.00 C ATOM 1224 C GLY A 83 55.556 10.103 1.190 1.00 0.00 C ATOM 1225 O GLY A 83 54.972 11.177 1.331 1.00 0.00 O ATOM 0 H GLY A 83 57.602 8.538 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.178 10.055 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.320 8.471 -0.196 1.00 0.00 H new