USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Set 1.2: A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 13 THR OG1 : rot -171:sc= -1.01! USER MOD Single : A 16 GLN : amide:sc= -0.848 X(o=-0.85,f=-0.68) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 21 THR OG1 : rot -59:sc= 0.963 USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.116 USER MOD Single : A 23 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.552 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 26 ASN : amide:sc= -3.53! C(o=-3.5!,f=-9.3!) USER MOD Single : A 28 THR OG1 : rot 170:sc= -2.43! USER MOD Single : A 35 SER OG : rot -25:sc= 0.0978 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00605 USER MOD Single : A 48 MET CE :methyl -169:sc= -0.709 (180deg=-1.27!) USER MOD Single : A 54 ASN : amide:sc= 0.0267! K(o=0.027!,f=-0.59) USER MOD Single : A 64 ASN : amide:sc= -0.0719 K(o=-0.072,f=-2.7!) USER MOD Single : A 66 TYR OH : rot -99:sc= 0.405 USER MOD Single : A 69 THR OG1 : rot 60:sc= 0.514 USER MOD Single : A 70 SER OG : rot -3:sc= 0.342 USER MOD Single : A 74 THR OG1 : rot -39:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 10.404 4.176 5.356 1.00 0.00 N ATOM 2 CA GLY A 10 9.118 4.767 5.645 1.00 0.00 C ATOM 3 C GLY A 10 8.380 5.153 4.380 1.00 0.00 C ATOM 4 O GLY A 10 7.386 4.529 4.033 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.515 4.063 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.256 5.650 6.269 1.00 0.00 H new ATOM 8 N PRO A 11 8.829 6.185 3.660 1.00 0.00 N ATOM 9 CA PRO A 11 8.225 6.545 2.390 1.00 0.00 C ATOM 10 C PRO A 11 8.695 5.637 1.269 1.00 0.00 C ATOM 11 O PRO A 11 9.888 5.367 1.121 1.00 0.00 O ATOM 12 CB PRO A 11 8.683 7.974 2.132 1.00 0.00 C ATOM 13 CG PRO A 11 9.537 8.364 3.303 1.00 0.00 C ATOM 14 CD PRO A 11 9.925 7.092 4.008 1.00 0.00 C ATOM 0 HA PRO A 11 7.140 6.448 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.247 8.039 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.829 8.644 2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.422 8.906 2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.991 9.026 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.888 6.715 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.006 7.235 5.086 1.00 0.00 H new ATOM 22 N PHE A 12 7.752 5.178 0.480 1.00 0.00 N ATOM 23 CA PHE A 12 8.050 4.261 -0.617 1.00 0.00 C ATOM 24 C PHE A 12 8.090 4.995 -1.951 1.00 0.00 C ATOM 25 O PHE A 12 8.102 6.224 -1.993 1.00 0.00 O ATOM 26 CB PHE A 12 7.031 3.118 -0.664 1.00 0.00 C ATOM 27 CG PHE A 12 5.585 3.552 -0.686 1.00 0.00 C ATOM 28 CD1 PHE A 12 4.929 3.882 0.491 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.877 3.611 -1.876 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.601 4.263 0.479 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.549 3.991 -1.891 1.00 0.00 C ATOM 32 CZ PHE A 12 2.912 4.317 -0.713 1.00 0.00 C ATOM 0 H PHE A 12 6.765 5.420 0.571 1.00 0.00 H new ATOM 0 HA PHE A 12 9.037 3.835 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.227 2.513 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.189 2.475 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.463 3.841 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.370 3.357 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.103 4.518 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.010 4.033 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.874 4.614 -0.724 1.00 0.00 H new ATOM 42 N THR A 13 8.164 4.240 -3.039 1.00 0.00 N ATOM 43 CA THR A 13 8.127 4.823 -4.368 1.00 0.00 C ATOM 44 C THR A 13 7.025 4.172 -5.189 1.00 0.00 C ATOM 45 O THR A 13 6.418 3.191 -4.752 1.00 0.00 O ATOM 46 CB THR A 13 9.474 4.655 -5.102 1.00 0.00 C ATOM 47 OG1 THR A 13 9.660 3.295 -5.507 1.00 0.00 O ATOM 48 CG2 THR A 13 10.628 5.063 -4.208 1.00 0.00 C ATOM 0 H THR A 13 8.250 3.224 -3.025 1.00 0.00 H new ATOM 0 HA THR A 13 7.930 5.889 -4.254 1.00 0.00 H new ATOM 0 HB THR A 13 9.453 5.298 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.573 3.175 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.567 4.936 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.513 6.108 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.635 4.439 -3.315 1.00 0.00 H new ATOM 56 N ARG A 14 6.780 4.716 -6.372 1.00 0.00 N ATOM 57 CA ARG A 14 5.839 4.128 -7.315 1.00 0.00 C ATOM 58 C ARG A 14 6.308 2.731 -7.699 1.00 0.00 C ATOM 59 O ARG A 14 5.544 1.769 -7.659 1.00 0.00 O ATOM 60 CB ARG A 14 5.743 5.025 -8.553 1.00 0.00 C ATOM 61 CG ARG A 14 4.650 4.640 -9.539 1.00 0.00 C ATOM 62 CD ARG A 14 5.178 3.698 -10.604 1.00 0.00 C ATOM 63 NE ARG A 14 4.146 3.310 -11.562 1.00 0.00 N ATOM 64 CZ ARG A 14 4.306 3.356 -12.882 1.00 0.00 C ATOM 65 NH1 ARG A 14 5.408 3.880 -13.394 1.00 0.00 N ATOM 66 NH2 ARG A 14 3.354 2.907 -13.691 1.00 0.00 N ATOM 0 H ARG A 14 7.224 5.572 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 14 4.853 4.048 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.574 6.052 -8.228 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.702 5.009 -9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.827 4.165 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.249 5.537 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.001 4.177 -11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.583 2.805 -10.128 1.00 0.00 H new ATOM 0 HE ARG A 14 3.250 2.985 -11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.132 4.247 -12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.533 3.916 -14.406 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.493 2.524 -13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.484 2.946 -14.702 1.00 0.00 H new ATOM 80 N ARG A 15 7.582 2.651 -8.061 1.00 0.00 N ATOM 81 CA ARG A 15 8.236 1.384 -8.391 1.00 0.00 C ATOM 82 C ARG A 15 8.045 0.352 -7.279 1.00 0.00 C ATOM 83 O ARG A 15 7.594 -0.771 -7.531 1.00 0.00 O ATOM 84 CB ARG A 15 9.732 1.620 -8.633 1.00 0.00 C ATOM 85 CG ARG A 15 10.560 0.347 -8.723 1.00 0.00 C ATOM 86 CD ARG A 15 12.041 0.654 -8.898 1.00 0.00 C ATOM 87 NE ARG A 15 12.526 1.612 -7.902 1.00 0.00 N ATOM 88 CZ ARG A 15 13.425 1.332 -6.959 1.00 0.00 C ATOM 89 NH1 ARG A 15 13.953 0.118 -6.873 1.00 0.00 N ATOM 90 NH2 ARG A 15 13.811 2.277 -6.112 1.00 0.00 N ATOM 0 H ARG A 15 8.195 3.463 -8.135 1.00 0.00 H new ATOM 0 HA ARG A 15 7.776 0.991 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.854 2.185 -9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.125 2.239 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.415 -0.247 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.211 -0.256 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.614 -0.270 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.213 1.053 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 15 12.149 2.559 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.671 -0.608 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.641 -0.089 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.420 3.216 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.499 2.064 -5.390 1.00 0.00 H new ATOM 104 N GLN A 16 8.385 0.743 -6.051 1.00 0.00 N ATOM 105 CA GLN A 16 8.255 -0.148 -4.903 1.00 0.00 C ATOM 106 C GLN A 16 6.809 -0.592 -4.731 1.00 0.00 C ATOM 107 O GLN A 16 6.534 -1.777 -4.560 1.00 0.00 O ATOM 108 CB GLN A 16 8.742 0.534 -3.619 1.00 0.00 C ATOM 109 CG GLN A 16 10.214 0.912 -3.642 1.00 0.00 C ATOM 110 CD GLN A 16 11.144 -0.280 -3.794 1.00 0.00 C ATOM 111 OE1 GLN A 16 12.221 -0.164 -4.371 1.00 0.00 O ATOM 112 NE2 GLN A 16 10.740 -1.431 -3.275 1.00 0.00 N ATOM 0 H GLN A 16 8.751 1.668 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 16 8.877 -1.023 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.149 1.433 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.561 -0.131 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.390 1.607 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.460 1.439 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.838 -1.489 -2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.331 -2.259 -3.348 1.00 0.00 H new ATOM 121 N ALA A 17 5.895 0.373 -4.792 1.00 0.00 N ATOM 122 CA ALA A 17 4.462 0.096 -4.661 1.00 0.00 C ATOM 123 C ALA A 17 4.007 -1.002 -5.625 1.00 0.00 C ATOM 124 O ALA A 17 3.332 -1.954 -5.216 1.00 0.00 O ATOM 125 CB ALA A 17 3.655 1.368 -4.890 1.00 0.00 C ATOM 0 H ALA A 17 6.120 1.358 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 17 4.286 -0.261 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.592 1.148 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.941 2.118 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.853 1.749 -5.892 1.00 0.00 H new ATOM 131 N GLN A 18 4.398 -0.874 -6.893 1.00 0.00 N ATOM 132 CA GLN A 18 4.026 -1.837 -7.921 1.00 0.00 C ATOM 133 C GLN A 18 4.426 -3.254 -7.528 1.00 0.00 C ATOM 134 O GLN A 18 3.616 -4.181 -7.600 1.00 0.00 O ATOM 135 CB GLN A 18 4.686 -1.477 -9.247 1.00 0.00 C ATOM 136 CG GLN A 18 4.289 -0.117 -9.786 1.00 0.00 C ATOM 137 CD GLN A 18 4.761 0.092 -11.207 1.00 0.00 C ATOM 138 OE1 GLN A 18 5.868 0.571 -11.447 1.00 0.00 O ATOM 139 NE2 GLN A 18 3.913 -0.258 -12.160 1.00 0.00 N ATOM 0 H GLN A 18 4.977 -0.105 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 18 2.942 -1.800 -8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.768 -1.504 -9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.432 -2.237 -9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.205 -0.014 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.707 0.661 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.005 -0.652 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.168 -0.134 -13.140 1.00 0.00 H new ATOM 148 N ALA A 19 5.670 -3.413 -7.094 1.00 0.00 N ATOM 149 CA ALA A 19 6.181 -4.726 -6.715 1.00 0.00 C ATOM 150 C ALA A 19 5.379 -5.317 -5.557 1.00 0.00 C ATOM 151 O ALA A 19 5.136 -6.527 -5.499 1.00 0.00 O ATOM 152 CB ALA A 19 7.655 -4.635 -6.341 1.00 0.00 C ATOM 0 H ALA A 19 6.342 -2.652 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 19 6.074 -5.388 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.021 -5.623 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.225 -4.265 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.776 -3.952 -5.501 1.00 0.00 H new ATOM 158 N VAL A 20 4.936 -4.456 -4.653 1.00 0.00 N ATOM 159 CA VAL A 20 4.253 -4.906 -3.452 1.00 0.00 C ATOM 160 C VAL A 20 2.774 -5.183 -3.740 1.00 0.00 C ATOM 161 O VAL A 20 2.096 -5.843 -2.956 1.00 0.00 O ATOM 162 CB VAL A 20 4.406 -3.886 -2.297 1.00 0.00 C ATOM 163 CG1 VAL A 20 3.906 -4.467 -0.986 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.856 -3.458 -2.154 1.00 0.00 C ATOM 0 H VAL A 20 5.038 -3.444 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 20 4.722 -5.837 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 20 3.800 -3.013 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.025 -3.730 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.852 -4.729 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.481 -5.360 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.945 -2.741 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.473 -4.330 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.192 -2.995 -3.082 1.00 0.00 H new ATOM 174 N THR A 21 2.287 -4.735 -4.893 1.00 0.00 N ATOM 175 CA THR A 21 0.909 -5.027 -5.277 1.00 0.00 C ATOM 176 C THR A 21 0.888 -6.295 -6.092 1.00 0.00 C ATOM 177 O THR A 21 -0.046 -7.093 -6.022 1.00 0.00 O ATOM 178 CB THR A 21 0.251 -3.899 -6.081 1.00 0.00 C ATOM 179 OG1 THR A 21 1.228 -2.936 -6.497 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.823 -3.233 -5.251 1.00 0.00 C ATOM 0 H THR A 21 2.813 -4.179 -5.567 1.00 0.00 H new ATOM 0 HA THR A 21 0.334 -5.135 -4.357 1.00 0.00 H new ATOM 0 HB THR A 21 -0.205 -4.328 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.671 -2.558 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.286 -2.433 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.580 -3.968 -4.978 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.379 -2.817 -4.347 1.00 0.00 H new ATOM 188 N THR A 22 1.942 -6.460 -6.865 1.00 0.00 N ATOM 189 CA THR A 22 2.234 -7.713 -7.509 1.00 0.00 C ATOM 190 C THR A 22 2.328 -8.822 -6.459 1.00 0.00 C ATOM 191 O THR A 22 1.998 -9.981 -6.716 1.00 0.00 O ATOM 192 CB THR A 22 3.556 -7.586 -8.283 1.00 0.00 C ATOM 193 OG1 THR A 22 3.380 -6.717 -9.409 1.00 0.00 O ATOM 194 CG2 THR A 22 4.065 -8.931 -8.744 1.00 0.00 C ATOM 0 H THR A 22 2.619 -5.723 -7.061 1.00 0.00 H new ATOM 0 HA THR A 22 1.437 -7.967 -8.208 1.00 0.00 H new ATOM 0 HB THR A 22 4.299 -7.164 -7.607 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.395 -5.784 -9.108 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.001 -8.799 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.235 -9.572 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.327 -9.394 -9.399 1.00 0.00 H new ATOM 202 N THR A 23 2.765 -8.441 -5.269 1.00 0.00 N ATOM 203 CA THR A 23 2.870 -9.374 -4.168 1.00 0.00 C ATOM 204 C THR A 23 1.570 -9.442 -3.352 1.00 0.00 C ATOM 205 O THR A 23 1.092 -10.534 -3.045 1.00 0.00 O ATOM 206 CB THR A 23 4.065 -9.011 -3.271 1.00 0.00 C ATOM 207 OG1 THR A 23 5.238 -8.884 -4.087 1.00 0.00 O ATOM 208 CG2 THR A 23 4.303 -10.076 -2.210 1.00 0.00 C ATOM 0 H THR A 23 3.052 -7.488 -5.045 1.00 0.00 H new ATOM 0 HA THR A 23 3.038 -10.366 -4.587 1.00 0.00 H new ATOM 0 HB THR A 23 3.846 -8.070 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.244 -8.003 -4.516 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.154 -9.790 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.416 -10.171 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.510 -11.031 -2.693 1.00 0.00 H new ATOM 216 N TYR A 24 0.987 -8.293 -2.995 1.00 0.00 N ATOM 217 CA TYR A 24 -0.265 -8.287 -2.270 1.00 0.00 C ATOM 218 C TYR A 24 -1.306 -7.499 -3.059 1.00 0.00 C ATOM 219 O TYR A 24 -1.255 -6.277 -3.116 1.00 0.00 O ATOM 220 CB TYR A 24 -0.049 -7.677 -0.880 1.00 0.00 C ATOM 221 CG TYR A 24 1.139 -8.259 -0.151 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.075 -9.509 0.440 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.339 -7.561 -0.079 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.171 -10.052 1.084 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.438 -8.095 0.566 1.00 0.00 C ATOM 226 CZ TYR A 24 3.347 -9.344 1.142 1.00 0.00 C ATOM 227 OH TYR A 24 4.437 -9.889 1.778 1.00 0.00 O ATOM 0 H TYR A 24 1.366 -7.368 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.628 -9.307 -2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.087 -6.600 -0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.946 -7.831 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.153 -10.070 0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.414 -6.585 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.103 -11.029 1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.362 -7.538 0.619 1.00 0.00 H new ATOM 0 HH TYR A 24 5.243 -9.389 1.532 1.00 0.00 H new ATOM 237 N SER A 25 -2.231 -8.203 -3.688 1.00 0.00 N ATOM 238 CA SER A 25 -3.240 -7.570 -4.520 1.00 0.00 C ATOM 239 C SER A 25 -4.345 -6.923 -3.685 1.00 0.00 C ATOM 240 O SER A 25 -5.223 -6.246 -4.223 1.00 0.00 O ATOM 241 CB SER A 25 -3.826 -8.598 -5.483 1.00 0.00 C ATOM 242 OG SER A 25 -4.114 -9.819 -4.816 1.00 0.00 O ATOM 0 H SER A 25 -2.304 -9.219 -3.638 1.00 0.00 H new ATOM 0 HA SER A 25 -2.760 -6.772 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.737 -8.202 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.123 -8.781 -6.296 1.00 0.00 H new ATOM 0 HG SER A 25 -4.490 -10.460 -5.455 1.00 0.00 H new ATOM 248 N ASN A 26 -4.299 -7.133 -2.371 1.00 0.00 N ATOM 249 CA ASN A 26 -5.217 -6.451 -1.463 1.00 0.00 C ATOM 250 C ASN A 26 -4.830 -4.984 -1.370 1.00 0.00 C ATOM 251 O ASN A 26 -5.622 -4.140 -0.946 1.00 0.00 O ATOM 252 CB ASN A 26 -5.187 -7.070 -0.059 1.00 0.00 C ATOM 253 CG ASN A 26 -4.006 -6.591 0.771 1.00 0.00 C ATOM 254 OD1 ASN A 26 -4.077 -5.571 1.448 1.00 0.00 O ATOM 255 ND2 ASN A 26 -2.912 -7.328 0.727 1.00 0.00 N ATOM 0 H ASN A 26 -3.641 -7.765 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.227 -6.557 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.113 -6.826 0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.147 -8.156 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.091 -7.055 1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.888 -8.171 0.153 1.00 0.00 H new ATOM 262 N ILE A 27 -3.591 -4.700 -1.751 1.00 0.00 N ATOM 263 CA ILE A 27 -3.098 -3.342 -1.770 1.00 0.00 C ATOM 264 C ILE A 27 -3.660 -2.638 -2.997 1.00 0.00 C ATOM 265 O ILE A 27 -3.736 -3.226 -4.075 1.00 0.00 O ATOM 266 CB ILE A 27 -1.553 -3.280 -1.812 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.924 -4.368 -0.932 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.069 -1.898 -1.393 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.534 -4.132 -0.606 1.00 0.00 C ATOM 0 H ILE A 27 -2.912 -5.400 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.421 -2.852 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.235 -3.465 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.487 -4.438 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.022 -5.329 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.020 -1.868 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.474 -1.149 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.406 -1.687 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.903 -4.945 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.112 -4.093 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.639 -3.188 -0.072 1.00 0.00 H new ATOM 281 N THR A 28 -4.063 -1.393 -2.838 1.00 0.00 N ATOM 282 CA THR A 28 -4.693 -0.664 -3.921 1.00 0.00 C ATOM 283 C THR A 28 -4.155 0.751 -3.993 1.00 0.00 C ATOM 284 O THR A 28 -3.823 1.341 -2.970 1.00 0.00 O ATOM 285 CB THR A 28 -6.221 -0.633 -3.743 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.541 -0.540 -2.349 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.865 -1.875 -4.337 1.00 0.00 C ATOM 0 H THR A 28 -3.966 -0.865 -1.970 1.00 0.00 H new ATOM 0 HA THR A 28 -4.460 -1.179 -4.853 1.00 0.00 H new ATOM 0 HB THR A 28 -6.611 0.238 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.498 -0.359 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.945 -1.827 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.639 -1.928 -5.402 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.474 -2.762 -3.838 1.00 0.00 H new ATOM 295 N LEU A 29 -4.061 1.291 -5.195 1.00 0.00 N ATOM 296 CA LEU A 29 -3.486 2.608 -5.382 1.00 0.00 C ATOM 297 C LEU A 29 -4.592 3.648 -5.542 1.00 0.00 C ATOM 298 O LEU A 29 -5.457 3.525 -6.411 1.00 0.00 O ATOM 299 CB LEU A 29 -2.552 2.596 -6.601 1.00 0.00 C ATOM 300 CG LEU A 29 -1.465 3.677 -6.620 1.00 0.00 C ATOM 301 CD1 LEU A 29 -0.387 3.329 -7.636 1.00 0.00 C ATOM 302 CD2 LEU A 29 -2.055 5.040 -6.944 1.00 0.00 C ATOM 0 H LEU A 29 -4.375 0.838 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.900 2.877 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.069 1.621 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.158 2.701 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.020 3.720 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.377 4.107 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.067 2.374 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.832 3.257 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.262 5.788 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.531 5.007 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.796 5.304 -6.190 1.00 0.00 H new ATOM 314 N GLU A 30 -4.569 4.649 -4.677 1.00 0.00 N ATOM 315 CA GLU A 30 -5.495 5.767 -4.753 1.00 0.00 C ATOM 316 C GLU A 30 -4.750 7.063 -5.007 1.00 0.00 C ATOM 317 O GLU A 30 -3.575 7.187 -4.668 1.00 0.00 O ATOM 318 CB GLU A 30 -6.278 5.941 -3.456 1.00 0.00 C ATOM 319 CG GLU A 30 -7.479 5.040 -3.294 1.00 0.00 C ATOM 320 CD GLU A 30 -8.364 5.534 -2.171 1.00 0.00 C ATOM 321 OE1 GLU A 30 -7.987 5.360 -0.997 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.411 6.146 -2.454 1.00 0.00 O ATOM 0 H GLU A 30 -3.908 4.709 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.180 5.545 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.602 5.770 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.611 6.977 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.046 5.009 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.151 4.021 -3.086 1.00 0.00 H new ATOM 329 N ASP A 31 -5.459 8.018 -5.590 1.00 0.00 N ATOM 330 CA ASP A 31 -4.963 9.382 -5.751 1.00 0.00 C ATOM 331 C ASP A 31 -3.689 9.409 -6.574 1.00 0.00 C ATOM 332 O ASP A 31 -2.675 9.960 -6.151 1.00 0.00 O ATOM 333 CB ASP A 31 -4.735 10.046 -4.392 1.00 0.00 C ATOM 334 CG ASP A 31 -5.247 11.472 -4.368 1.00 0.00 C ATOM 335 OD1 ASP A 31 -4.481 12.395 -4.709 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.435 11.673 -4.031 1.00 0.00 O ATOM 0 H ASP A 31 -6.396 7.872 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.725 9.948 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.236 9.467 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.670 10.038 -4.158 1.00 0.00 H new ATOM 341 N ASP A 32 -3.757 8.793 -7.748 1.00 0.00 N ATOM 342 CA ASP A 32 -2.642 8.745 -8.682 1.00 0.00 C ATOM 343 C ASP A 32 -2.262 10.150 -9.144 1.00 0.00 C ATOM 344 O ASP A 32 -2.714 10.599 -10.197 1.00 0.00 O ATOM 345 CB ASP A 32 -3.029 7.922 -9.918 1.00 0.00 C ATOM 346 CG ASP A 32 -3.663 6.580 -9.602 1.00 0.00 C ATOM 347 OD1 ASP A 32 -4.816 6.562 -9.111 1.00 0.00 O ATOM 348 OD2 ASP A 32 -3.039 5.540 -9.892 1.00 0.00 O ATOM 0 H ASP A 32 -4.592 8.311 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.796 8.287 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.722 8.504 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.138 7.756 -10.523 1.00 0.00 H new ATOM 353 N GLN A 33 -1.456 10.856 -8.364 1.00 0.00 N ATOM 354 CA GLN A 33 -1.090 12.221 -8.712 1.00 0.00 C ATOM 355 C GLN A 33 0.414 12.355 -8.893 1.00 0.00 C ATOM 356 O GLN A 33 1.113 12.929 -8.053 1.00 0.00 O ATOM 357 CB GLN A 33 -1.586 13.200 -7.650 1.00 0.00 C ATOM 358 CG GLN A 33 -2.048 14.528 -8.230 1.00 0.00 C ATOM 359 CD GLN A 33 -2.652 15.444 -7.187 1.00 0.00 C ATOM 360 OE1 GLN A 33 -1.967 16.284 -6.603 1.00 0.00 O ATOM 361 NE2 GLN A 33 -3.938 15.281 -6.937 1.00 0.00 N ATOM 0 H GLN A 33 -1.047 10.511 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.570 12.464 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.410 12.744 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.787 13.383 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.201 15.028 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.783 14.342 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.470 14.573 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.399 15.863 -6.238 1.00 0.00 H new ATOM 370 N GLY A 34 0.902 11.780 -9.981 1.00 0.00 N ATOM 371 CA GLY A 34 2.293 11.919 -10.347 1.00 0.00 C ATOM 372 C GLY A 34 3.231 11.255 -9.364 1.00 0.00 C ATOM 373 O GLY A 34 3.319 10.026 -9.306 1.00 0.00 O ATOM 0 H GLY A 34 0.350 11.212 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.448 11.488 -11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.540 12.978 -10.418 1.00 0.00 H new ATOM 377 N SER A 35 3.921 12.069 -8.581 1.00 0.00 N ATOM 378 CA SER A 35 4.924 11.570 -7.661 1.00 0.00 C ATOM 379 C SER A 35 4.306 11.141 -6.331 1.00 0.00 C ATOM 380 O SER A 35 4.949 10.445 -5.544 1.00 0.00 O ATOM 381 CB SER A 35 6.003 12.635 -7.428 1.00 0.00 C ATOM 382 OG SER A 35 7.019 12.164 -6.558 1.00 0.00 O ATOM 0 H SER A 35 3.802 13.082 -8.566 1.00 0.00 H new ATOM 0 HA SER A 35 5.381 10.689 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.444 12.922 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.547 13.530 -7.005 1.00 0.00 H new ATOM 0 HG SER A 35 6.656 11.459 -5.982 1.00 0.00 H new ATOM 388 N HIS A 36 3.061 11.530 -6.073 1.00 0.00 N ATOM 389 CA HIS A 36 2.438 11.188 -4.801 1.00 0.00 C ATOM 390 C HIS A 36 1.066 10.561 -5.000 1.00 0.00 C ATOM 391 O HIS A 36 0.316 10.940 -5.896 1.00 0.00 O ATOM 392 CB HIS A 36 2.347 12.410 -3.869 1.00 0.00 C ATOM 393 CG HIS A 36 1.360 13.463 -4.284 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.700 14.556 -5.047 1.00 0.00 N ATOM 395 CD2 HIS A 36 0.045 13.608 -3.992 1.00 0.00 C ATOM 396 CE1 HIS A 36 0.643 15.327 -5.203 1.00 0.00 C ATOM 397 NE2 HIS A 36 -0.377 14.775 -4.572 1.00 0.00 N ATOM 0 H HIS A 36 2.476 12.069 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 36 3.079 10.447 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.085 12.064 -2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.334 12.868 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.559 12.929 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.616 16.255 -5.755 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.323 15.155 -4.524 1.00 0.00 H new ATOM 406 N PHE A 37 0.769 9.591 -4.150 1.00 0.00 N ATOM 407 CA PHE A 37 -0.491 8.872 -4.162 1.00 0.00 C ATOM 408 C PHE A 37 -0.628 8.143 -2.832 1.00 0.00 C ATOM 409 O PHE A 37 0.262 8.248 -1.985 1.00 0.00 O ATOM 410 CB PHE A 37 -0.534 7.888 -5.340 1.00 0.00 C ATOM 411 CG PHE A 37 0.634 6.938 -5.406 1.00 0.00 C ATOM 412 CD1 PHE A 37 0.671 5.799 -4.616 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.688 7.177 -6.275 1.00 0.00 C ATOM 414 CE1 PHE A 37 1.735 4.921 -4.690 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.755 6.302 -6.350 1.00 0.00 C ATOM 416 CZ PHE A 37 2.778 5.173 -5.558 1.00 0.00 C ATOM 0 H PHE A 37 1.409 9.277 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.323 9.564 -4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.455 7.308 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.577 8.456 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.142 5.596 -3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.675 8.057 -6.901 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.751 4.038 -4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.571 6.502 -7.029 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.611 4.488 -5.617 1.00 0.00 H new ATOM 426 N ARG A 38 -1.722 7.428 -2.623 1.00 0.00 N ATOM 427 CA ARG A 38 -1.859 6.643 -1.399 1.00 0.00 C ATOM 428 C ARG A 38 -2.208 5.196 -1.719 1.00 0.00 C ATOM 429 O ARG A 38 -2.771 4.903 -2.769 1.00 0.00 O ATOM 430 CB ARG A 38 -2.904 7.248 -0.450 1.00 0.00 C ATOM 431 CG ARG A 38 -4.334 7.196 -0.961 1.00 0.00 C ATOM 432 CD ARG A 38 -5.306 7.760 0.066 1.00 0.00 C ATOM 433 NE ARG A 38 -6.698 7.662 -0.374 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.575 8.664 -0.303 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.204 9.837 0.200 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.819 8.488 -0.734 1.00 0.00 N ATOM 0 H ARG A 38 -2.512 7.372 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.895 6.665 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.855 6.723 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.640 8.288 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.412 7.762 -1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.603 6.165 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.187 7.225 1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.061 8.804 0.259 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.017 6.773 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.249 9.971 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.875 10.604 0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.103 7.587 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.491 9.254 -0.680 1.00 0.00 H new ATOM 450 N LEU A 39 -1.855 4.293 -0.817 1.00 0.00 N ATOM 451 CA LEU A 39 -2.165 2.883 -0.992 1.00 0.00 C ATOM 452 C LEU A 39 -3.116 2.412 0.093 1.00 0.00 C ATOM 453 O LEU A 39 -2.956 2.748 1.267 1.00 0.00 O ATOM 454 CB LEU A 39 -0.898 2.026 -0.963 1.00 0.00 C ATOM 455 CG LEU A 39 0.126 2.324 -2.053 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.358 1.456 -1.865 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.471 2.097 -3.432 1.00 0.00 C ATOM 0 H LEU A 39 -1.353 4.512 0.044 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.639 2.770 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.417 2.154 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.188 0.978 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 39 0.415 3.372 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.082 1.677 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.803 1.662 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.074 0.405 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.278 2.316 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.789 1.059 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.330 2.753 -3.569 1.00 0.00 H new ATOM 469 N VAL A 40 -4.108 1.649 -0.312 1.00 0.00 N ATOM 470 CA VAL A 40 -5.077 1.093 0.615 1.00 0.00 C ATOM 471 C VAL A 40 -4.850 -0.399 0.793 1.00 0.00 C ATOM 472 O VAL A 40 -4.883 -1.161 -0.173 1.00 0.00 O ATOM 473 CB VAL A 40 -6.523 1.312 0.130 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.525 0.906 1.201 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.737 2.751 -0.289 1.00 0.00 C ATOM 0 H VAL A 40 -4.268 1.396 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.939 1.611 1.564 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.686 0.676 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.538 1.071 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.393 -0.149 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.363 1.505 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.765 2.882 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.548 3.409 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.053 2.999 -1.101 1.00 0.00 H new ATOM 485 N VAL A 41 -4.599 -0.798 2.023 1.00 0.00 N ATOM 486 CA VAL A 41 -4.508 -2.202 2.376 1.00 0.00 C ATOM 487 C VAL A 41 -5.890 -2.713 2.762 1.00 0.00 C ATOM 488 O VAL A 41 -6.532 -2.159 3.665 1.00 0.00 O ATOM 489 CB VAL A 41 -3.532 -2.414 3.552 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.596 -3.840 4.060 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.113 -2.060 3.136 1.00 0.00 C ATOM 0 H VAL A 41 -4.452 -0.160 2.806 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.132 -2.754 1.515 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.832 -1.752 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.899 -3.963 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.608 -4.060 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.328 -4.525 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.438 -2.215 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.808 -2.695 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.074 -1.015 2.828 1.00 0.00 H new ATOM 501 N ARG A 42 -6.362 -3.743 2.073 1.00 0.00 N ATOM 502 CA ARG A 42 -7.685 -4.285 2.350 1.00 0.00 C ATOM 503 C ARG A 42 -7.576 -5.673 2.964 1.00 0.00 C ATOM 504 O ARG A 42 -6.552 -6.345 2.849 1.00 0.00 O ATOM 505 CB ARG A 42 -8.536 -4.333 1.074 1.00 0.00 C ATOM 506 CG ARG A 42 -8.579 -3.004 0.335 1.00 0.00 C ATOM 507 CD ARG A 42 -8.999 -3.163 -1.120 1.00 0.00 C ATOM 508 NE ARG A 42 -10.342 -3.721 -1.271 1.00 0.00 N ATOM 509 CZ ARG A 42 -11.366 -3.057 -1.812 1.00 0.00 C ATOM 510 NH1 ARG A 42 -11.225 -1.781 -2.159 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.533 -3.663 -1.994 1.00 0.00 N ATOM 0 H ARG A 42 -5.854 -4.216 1.325 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.177 -3.625 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.139 -5.099 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.552 -4.631 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.274 -2.333 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.596 -2.536 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.958 -2.191 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.284 -3.809 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.506 -4.673 -0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.333 -1.308 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.009 -1.275 -2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.649 -4.639 -1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.313 -3.153 -2.408 1.00 0.00 H new ATOM 525 N ASP A 43 -8.635 -6.083 3.628 1.00 0.00 N ATOM 526 CA ASP A 43 -8.694 -7.398 4.249 1.00 0.00 C ATOM 527 C ASP A 43 -9.286 -8.398 3.258 1.00 0.00 C ATOM 528 O ASP A 43 -9.677 -8.018 2.155 1.00 0.00 O ATOM 529 CB ASP A 43 -9.510 -7.303 5.551 1.00 0.00 C ATOM 530 CG ASP A 43 -9.944 -8.634 6.126 1.00 0.00 C ATOM 531 OD1 ASP A 43 -9.138 -9.285 6.817 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.099 -9.036 5.878 1.00 0.00 O ATOM 0 H ASP A 43 -9.477 -5.522 3.755 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.696 -7.751 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.916 -6.777 6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.397 -6.697 5.364 1.00 0.00 H new ATOM 537 N THR A 44 -9.352 -9.661 3.640 1.00 0.00 N ATOM 538 CA THR A 44 -9.858 -10.703 2.759 1.00 0.00 C ATOM 539 C THR A 44 -11.359 -10.548 2.521 1.00 0.00 C ATOM 540 O THR A 44 -11.917 -11.150 1.601 1.00 0.00 O ATOM 541 CB THR A 44 -9.557 -12.102 3.323 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.913 -12.165 4.711 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.083 -12.440 3.153 1.00 0.00 C ATOM 0 H THR A 44 -9.060 -9.993 4.559 1.00 0.00 H new ATOM 0 HA THR A 44 -9.344 -10.595 1.804 1.00 0.00 H new ATOM 0 HB THR A 44 -10.150 -12.830 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.718 -13.061 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.888 -13.433 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.826 -12.423 2.094 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.478 -11.706 3.685 1.00 0.00 H new ATOM 551 N GLU A 45 -12.012 -9.747 3.361 1.00 0.00 N ATOM 552 CA GLU A 45 -13.410 -9.390 3.156 1.00 0.00 C ATOM 553 C GLU A 45 -13.495 -8.216 2.188 1.00 0.00 C ATOM 554 O GLU A 45 -14.544 -7.936 1.607 1.00 0.00 O ATOM 555 CB GLU A 45 -14.063 -9.018 4.494 1.00 0.00 C ATOM 556 CG GLU A 45 -15.571 -8.819 4.418 1.00 0.00 C ATOM 557 CD GLU A 45 -16.308 -10.089 4.045 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.347 -11.022 4.875 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.859 -10.155 2.927 1.00 0.00 O ATOM 0 H GLU A 45 -11.591 -9.333 4.193 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.942 -10.244 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.847 -9.801 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.605 -8.102 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.936 -8.461 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.795 -8.044 3.685 1.00 0.00 H new ATOM 566 N GLY A 46 -12.367 -7.543 2.014 1.00 0.00 N ATOM 567 CA GLY A 46 -12.298 -6.386 1.148 1.00 0.00 C ATOM 568 C GLY A 46 -12.570 -5.094 1.885 1.00 0.00 C ATOM 569 O GLY A 46 -12.759 -4.045 1.270 1.00 0.00 O ATOM 0 H GLY A 46 -11.485 -7.784 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.310 -6.338 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.020 -6.498 0.339 1.00 0.00 H new ATOM 573 N ARG A 47 -12.600 -5.172 3.206 1.00 0.00 N ATOM 574 CA ARG A 47 -12.755 -3.993 4.033 1.00 0.00 C ATOM 575 C ARG A 47 -11.412 -3.293 4.188 1.00 0.00 C ATOM 576 O ARG A 47 -10.382 -3.953 4.337 1.00 0.00 O ATOM 577 CB ARG A 47 -13.315 -4.380 5.404 1.00 0.00 C ATOM 578 CG ARG A 47 -12.546 -5.500 6.093 1.00 0.00 C ATOM 579 CD ARG A 47 -13.010 -5.703 7.526 1.00 0.00 C ATOM 580 NE ARG A 47 -12.330 -6.827 8.168 1.00 0.00 N ATOM 581 CZ ARG A 47 -11.349 -6.705 9.067 1.00 0.00 C ATOM 582 NH1 ARG A 47 -10.906 -5.509 9.428 1.00 0.00 N ATOM 583 NH2 ARG A 47 -10.811 -7.793 9.605 1.00 0.00 N ATOM 0 H ARG A 47 -12.518 -6.045 3.727 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.456 -3.310 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.311 -3.501 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.355 -4.685 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.675 -6.427 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.481 -5.268 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.827 -4.794 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.086 -5.876 7.538 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.625 -7.769 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.315 -4.669 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.157 -5.429 10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.147 -8.717 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.062 -7.705 10.292 1.00 0.00 H new ATOM 597 N MET A 48 -11.416 -1.969 4.109 1.00 0.00 N ATOM 598 CA MET A 48 -10.195 -1.195 4.294 1.00 0.00 C ATOM 599 C MET A 48 -9.621 -1.414 5.686 1.00 0.00 C ATOM 600 O MET A 48 -10.321 -1.277 6.691 1.00 0.00 O ATOM 601 CB MET A 48 -10.439 0.301 4.074 1.00 0.00 C ATOM 602 CG MET A 48 -11.582 0.870 4.902 1.00 0.00 C ATOM 603 SD MET A 48 -11.570 2.672 4.961 1.00 0.00 S ATOM 604 CE MET A 48 -10.005 2.959 5.782 1.00 0.00 C ATOM 0 H MET A 48 -12.248 -1.410 3.919 1.00 0.00 H new ATOM 0 HA MET A 48 -9.479 -1.544 3.550 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.526 0.846 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.648 0.473 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.531 0.531 4.486 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.521 0.477 5.917 1.00 0.00 H new ATOM 0 HE1 MET A 48 -9.933 4.007 6.071 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.940 2.332 6.671 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.188 2.713 5.104 1.00 0.00 H new ATOM 614 N VAL A 49 -8.353 -1.771 5.737 1.00 0.00 N ATOM 615 CA VAL A 49 -7.674 -1.964 7.003 1.00 0.00 C ATOM 616 C VAL A 49 -6.788 -0.761 7.304 1.00 0.00 C ATOM 617 O VAL A 49 -6.713 -0.296 8.444 1.00 0.00 O ATOM 618 CB VAL A 49 -6.815 -3.248 6.992 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.328 -3.589 8.390 1.00 0.00 C ATOM 620 CG2 VAL A 49 -7.593 -4.414 6.404 1.00 0.00 C ATOM 0 H VAL A 49 -7.771 -1.934 4.915 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.433 -2.068 7.778 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.945 -3.061 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.726 -4.497 8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.724 -2.768 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.185 -3.747 9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.968 -5.307 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.486 -4.594 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.884 -4.178 5.380 1.00 0.00 H new ATOM 630 N TRP A 50 -6.143 -0.239 6.264 1.00 0.00 N ATOM 631 CA TRP A 50 -5.191 0.854 6.426 1.00 0.00 C ATOM 632 C TRP A 50 -4.846 1.484 5.077 1.00 0.00 C ATOM 633 O TRP A 50 -4.379 0.803 4.168 1.00 0.00 O ATOM 634 CB TRP A 50 -3.918 0.328 7.108 1.00 0.00 C ATOM 635 CG TRP A 50 -2.842 1.359 7.300 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.650 1.431 6.636 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.857 2.464 8.215 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.922 2.505 7.085 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.641 3.156 8.051 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.777 2.935 9.155 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.322 4.291 8.793 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.458 4.064 9.890 1.00 0.00 C ATOM 643 CH2 TRP A 50 -2.241 4.729 9.704 1.00 0.00 C ATOM 0 H TRP A 50 -6.263 -0.555 5.302 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.646 1.624 7.049 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.186 -0.084 8.081 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.515 -0.493 6.514 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.327 0.743 5.869 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.004 2.774 6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.719 2.428 9.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.383 4.806 8.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.161 4.438 10.620 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -2.023 5.607 10.293 1.00 0.00 H new ATOM 654 N ARG A 51 -5.095 2.781 4.946 1.00 0.00 N ATOM 655 CA ARG A 51 -4.695 3.521 3.755 1.00 0.00 C ATOM 656 C ARG A 51 -3.748 4.652 4.142 1.00 0.00 C ATOM 657 O ARG A 51 -4.071 5.481 4.995 1.00 0.00 O ATOM 658 CB ARG A 51 -5.912 4.071 2.990 1.00 0.00 C ATOM 659 CG ARG A 51 -6.937 4.773 3.869 1.00 0.00 C ATOM 660 CD ARG A 51 -7.796 5.759 3.080 1.00 0.00 C ATOM 661 NE ARG A 51 -8.375 5.182 1.861 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.663 4.858 1.718 1.00 0.00 C ATOM 663 NH1 ARG A 51 -10.492 4.921 2.753 1.00 0.00 N ATOM 664 NH2 ARG A 51 -10.116 4.467 0.534 1.00 0.00 N ATOM 0 H ARG A 51 -5.573 3.343 5.651 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.178 2.832 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.563 4.769 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.401 3.248 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.580 4.029 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.423 5.303 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.601 6.121 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.189 6.624 2.811 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.752 5.017 1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.147 5.218 3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.474 4.672 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.481 4.415 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.099 4.219 0.421 1.00 0.00 H new ATOM 678 N ALA A 52 -2.582 4.675 3.519 1.00 0.00 N ATOM 679 CA ALA A 52 -1.559 5.659 3.842 1.00 0.00 C ATOM 680 C ALA A 52 -0.972 6.242 2.567 1.00 0.00 C ATOM 681 O ALA A 52 -1.046 5.621 1.505 1.00 0.00 O ATOM 682 CB ALA A 52 -0.466 5.031 4.696 1.00 0.00 C ATOM 0 H ALA A 52 -2.318 4.020 2.783 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.018 6.465 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.290 5.781 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.899 4.654 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.005 4.208 4.150 1.00 0.00 H new ATOM 688 N TRP A 53 -0.392 7.428 2.668 1.00 0.00 N ATOM 689 CA TRP A 53 0.151 8.103 1.509 1.00 0.00 C ATOM 690 C TRP A 53 1.567 7.663 1.209 1.00 0.00 C ATOM 691 O TRP A 53 2.124 6.774 1.845 1.00 0.00 O ATOM 692 CB TRP A 53 0.136 9.613 1.706 1.00 0.00 C ATOM 693 CG TRP A 53 -1.205 10.206 1.589 1.00 0.00 C ATOM 694 CD1 TRP A 53 -2.076 10.347 2.588 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.823 10.740 0.417 1.00 0.00 C ATOM 696 NE1 TRP A 53 -3.217 10.946 2.137 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.091 11.198 0.800 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.432 10.878 -0.916 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.976 11.785 -0.099 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.308 11.461 -1.809 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.570 11.909 -1.397 1.00 0.00 C ATOM 0 H TRP A 53 -0.287 7.940 3.544 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.484 7.833 0.665 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.544 9.847 2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.794 10.074 0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.904 10.033 3.607 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.033 11.170 2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.461 10.535 -1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.949 12.130 0.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.016 11.574 -2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.234 12.361 -2.119 1.00 0.00 H new ATOM 712 N ASN A 54 2.133 8.336 0.236 1.00 0.00 N ATOM 713 CA ASN A 54 3.467 8.026 -0.262 1.00 0.00 C ATOM 714 C ASN A 54 4.500 8.931 0.403 1.00 0.00 C ATOM 715 O ASN A 54 5.626 8.517 0.666 1.00 0.00 O ATOM 716 CB ASN A 54 3.501 8.206 -1.789 1.00 0.00 C ATOM 717 CG ASN A 54 4.710 7.572 -2.471 1.00 0.00 C ATOM 718 OD1 ASN A 54 4.613 7.111 -3.606 1.00 0.00 O ATOM 719 ND2 ASN A 54 5.850 7.556 -1.806 1.00 0.00 N ATOM 0 H ASN A 54 1.685 9.119 -0.240 1.00 0.00 H new ATOM 0 HA ASN A 54 3.710 6.991 -0.021 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.593 7.777 -2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.487 9.272 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.684 7.153 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.897 7.947 -0.865 1.00 0.00 H new ATOM 726 N PHE A 55 4.100 10.161 0.698 1.00 0.00 N ATOM 727 CA PHE A 55 5.019 11.158 1.235 1.00 0.00 C ATOM 728 C PHE A 55 5.135 11.056 2.754 1.00 0.00 C ATOM 729 O PHE A 55 5.713 11.928 3.400 1.00 0.00 O ATOM 730 CB PHE A 55 4.569 12.569 0.827 1.00 0.00 C ATOM 731 CG PHE A 55 3.121 12.870 1.116 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.696 13.161 2.403 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.187 12.868 0.093 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.369 13.442 2.665 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.859 13.150 0.349 1.00 0.00 C ATOM 736 CZ PHE A 55 0.450 13.438 1.637 1.00 0.00 C ATOM 0 H PHE A 55 3.144 10.493 0.574 1.00 0.00 H new ATOM 0 HA PHE A 55 6.005 10.962 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.190 13.299 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.748 12.700 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.412 13.168 3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.500 12.644 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.052 13.664 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.141 13.145 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.588 13.660 1.838 1.00 0.00 H new ATOM 746 N GLU A 56 4.593 9.993 3.324 1.00 0.00 N ATOM 747 CA GLU A 56 4.625 9.819 4.765 1.00 0.00 C ATOM 748 C GLU A 56 5.907 9.098 5.187 1.00 0.00 C ATOM 749 O GLU A 56 6.232 8.039 4.654 1.00 0.00 O ATOM 750 CB GLU A 56 3.380 9.068 5.235 1.00 0.00 C ATOM 751 CG GLU A 56 2.094 9.770 4.834 1.00 0.00 C ATOM 752 CD GLU A 56 0.893 9.315 5.632 1.00 0.00 C ATOM 753 OE1 GLU A 56 0.813 9.669 6.829 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.019 8.626 5.068 1.00 0.00 O ATOM 0 H GLU A 56 4.128 9.242 2.814 1.00 0.00 H new ATOM 0 HA GLU A 56 4.624 10.800 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.387 8.061 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.410 8.963 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.220 10.845 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.906 9.594 3.775 1.00 0.00 H new ATOM 761 N PRO A 57 6.646 9.666 6.163 1.00 0.00 N ATOM 762 CA PRO A 57 7.985 9.185 6.554 1.00 0.00 C ATOM 763 C PRO A 57 7.991 7.784 7.164 1.00 0.00 C ATOM 764 O PRO A 57 9.055 7.230 7.449 1.00 0.00 O ATOM 765 CB PRO A 57 8.454 10.207 7.600 1.00 0.00 C ATOM 766 CG PRO A 57 7.551 11.381 7.443 1.00 0.00 C ATOM 767 CD PRO A 57 6.239 10.832 6.969 1.00 0.00 C ATOM 0 HA PRO A 57 8.628 9.105 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.390 9.795 8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.494 10.487 7.436 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.433 11.912 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.958 12.093 6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.596 10.544 7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.686 11.561 6.376 1.00 0.00 H new ATOM 775 N ASP A 58 6.815 7.214 7.370 1.00 0.00 N ATOM 776 CA ASP A 58 6.706 5.886 7.964 1.00 0.00 C ATOM 777 C ASP A 58 5.603 5.079 7.302 1.00 0.00 C ATOM 778 O ASP A 58 5.073 4.140 7.900 1.00 0.00 O ATOM 779 CB ASP A 58 6.440 5.989 9.466 1.00 0.00 C ATOM 780 CG ASP A 58 5.235 6.848 9.794 1.00 0.00 C ATOM 781 OD1 ASP A 58 5.399 8.079 9.922 1.00 0.00 O ATOM 782 OD2 ASP A 58 4.120 6.299 9.930 1.00 0.00 O ATOM 0 H ASP A 58 5.922 7.647 7.136 1.00 0.00 H new ATOM 0 HA ASP A 58 7.654 5.373 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.288 4.989 9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.320 6.403 9.958 1.00 0.00 H new ATOM 787 N ALA A 59 5.302 5.409 6.047 1.00 0.00 N ATOM 788 CA ALA A 59 4.219 4.757 5.324 1.00 0.00 C ATOM 789 C ALA A 59 4.428 3.246 5.272 1.00 0.00 C ATOM 790 O ALA A 59 3.522 2.467 5.568 1.00 0.00 O ATOM 791 CB ALA A 59 4.123 5.326 3.917 1.00 0.00 C ATOM 0 H ALA A 59 5.795 6.124 5.512 1.00 0.00 H new ATOM 0 HA ALA A 59 3.285 4.949 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.311 4.835 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.927 6.397 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.062 5.155 3.390 1.00 0.00 H new ATOM 797 N GLY A 60 5.645 2.844 4.937 1.00 0.00 N ATOM 798 CA GLY A 60 5.952 1.443 4.775 1.00 0.00 C ATOM 799 C GLY A 60 6.047 0.699 6.081 1.00 0.00 C ATOM 800 O GLY A 60 5.872 -0.511 6.113 1.00 0.00 O ATOM 0 H GLY A 60 6.431 3.473 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.184 0.979 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.896 1.345 4.239 1.00 0.00 H new ATOM 804 N GLU A 61 6.294 1.414 7.168 1.00 0.00 N ATOM 805 CA GLU A 61 6.465 0.767 8.458 1.00 0.00 C ATOM 806 C GLU A 61 5.123 0.224 8.950 1.00 0.00 C ATOM 807 O GLU A 61 5.057 -0.835 9.584 1.00 0.00 O ATOM 808 CB GLU A 61 7.072 1.745 9.462 1.00 0.00 C ATOM 809 CG GLU A 61 7.698 1.066 10.664 1.00 0.00 C ATOM 810 CD GLU A 61 8.612 1.994 11.435 1.00 0.00 C ATOM 811 OE1 GLU A 61 9.704 2.321 10.917 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.258 2.390 12.562 1.00 0.00 O ATOM 0 H GLU A 61 6.380 2.430 7.183 1.00 0.00 H new ATOM 0 HA GLU A 61 7.152 -0.072 8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.829 2.347 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.296 2.430 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.911 0.703 11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.263 0.195 10.333 1.00 0.00 H new ATOM 819 N GLY A 62 4.053 0.934 8.614 1.00 0.00 N ATOM 820 CA GLY A 62 2.720 0.472 8.949 1.00 0.00 C ATOM 821 C GLY A 62 2.256 -0.588 7.975 1.00 0.00 C ATOM 822 O GLY A 62 1.611 -1.574 8.353 1.00 0.00 O ATOM 0 H GLY A 62 4.085 1.823 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.714 0.069 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.026 1.312 8.937 1.00 0.00 H new ATOM 826 N LEU A 63 2.605 -0.391 6.713 1.00 0.00 N ATOM 827 CA LEU A 63 2.294 -1.360 5.680 1.00 0.00 C ATOM 828 C LEU A 63 2.983 -2.685 5.983 1.00 0.00 C ATOM 829 O LEU A 63 2.361 -3.739 5.899 1.00 0.00 O ATOM 830 CB LEU A 63 2.713 -0.833 4.306 1.00 0.00 C ATOM 831 CG LEU A 63 2.022 0.464 3.879 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.563 0.951 2.549 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.518 0.267 3.797 1.00 0.00 C ATOM 0 H LEU A 63 3.105 0.434 6.382 1.00 0.00 H new ATOM 0 HA LEU A 63 1.217 -1.524 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.791 -0.671 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.508 -1.600 3.560 1.00 0.00 H new ATOM 0 HG LEU A 63 2.232 1.222 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.057 1.874 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.633 1.137 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.388 0.193 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.045 1.200 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.292 -0.510 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.136 -0.031 4.774 1.00 0.00 H new ATOM 845 N ASN A 64 4.258 -2.620 6.369 1.00 0.00 N ATOM 846 CA ASN A 64 5.015 -3.815 6.734 1.00 0.00 C ATOM 847 C ASN A 64 4.405 -4.493 7.955 1.00 0.00 C ATOM 848 O ASN A 64 4.439 -5.716 8.066 1.00 0.00 O ATOM 849 CB ASN A 64 6.489 -3.493 7.004 1.00 0.00 C ATOM 850 CG ASN A 64 7.284 -3.216 5.738 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.967 -3.724 4.663 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.345 -2.433 5.867 1.00 0.00 N ATOM 0 H ASN A 64 4.787 -1.751 6.437 1.00 0.00 H new ATOM 0 HA ASN A 64 4.964 -4.496 5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.550 -2.625 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.945 -4.328 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.932 -2.232 5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.574 -2.031 6.776 1.00 0.00 H new ATOM 859 N ARG A 65 3.847 -3.691 8.866 1.00 0.00 N ATOM 860 CA ARG A 65 3.111 -4.229 10.012 1.00 0.00 C ATOM 861 C ARG A 65 2.010 -5.179 9.541 1.00 0.00 C ATOM 862 O ARG A 65 1.777 -6.221 10.146 1.00 0.00 O ATOM 863 CB ARG A 65 2.516 -3.092 10.857 1.00 0.00 C ATOM 864 CG ARG A 65 1.423 -3.533 11.826 1.00 0.00 C ATOM 865 CD ARG A 65 1.946 -4.458 12.915 1.00 0.00 C ATOM 866 NE ARG A 65 0.853 -5.083 13.657 1.00 0.00 N ATOM 867 CZ ARG A 65 0.923 -5.473 14.930 1.00 0.00 C ATOM 868 NH1 ARG A 65 2.026 -5.281 15.641 1.00 0.00 N ATOM 869 NH2 ARG A 65 -0.130 -6.052 15.488 1.00 0.00 N ATOM 0 H ARG A 65 3.891 -2.672 8.832 1.00 0.00 H new ATOM 0 HA ARG A 65 3.808 -4.789 10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.318 -2.619 11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.108 -2.334 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.974 -2.653 12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.634 -4.040 11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.572 -5.230 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.577 -3.893 13.601 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.028 -5.232 13.165 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.835 -4.830 15.215 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.065 -5.585 16.614 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.981 -6.195 14.944 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.089 -6.355 16.461 1.00 0.00 H new ATOM 883 N TYR A 66 1.331 -4.817 8.462 1.00 0.00 N ATOM 884 CA TYR A 66 0.342 -5.709 7.866 1.00 0.00 C ATOM 885 C TYR A 66 1.030 -6.809 7.057 1.00 0.00 C ATOM 886 O TYR A 66 0.728 -7.990 7.213 1.00 0.00 O ATOM 887 CB TYR A 66 -0.619 -4.918 6.968 1.00 0.00 C ATOM 888 CG TYR A 66 -1.660 -5.771 6.269 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.396 -6.354 5.032 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.912 -5.978 6.836 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.348 -7.120 4.385 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.871 -6.739 6.192 1.00 0.00 C ATOM 893 CZ TYR A 66 -3.584 -7.307 4.968 1.00 0.00 C ATOM 894 OH TYR A 66 -4.536 -8.061 4.320 1.00 0.00 O ATOM 0 H TYR A 66 1.443 -3.923 7.984 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.229 -6.173 8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.127 -4.166 7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.039 -4.383 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.431 -6.205 4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.140 -5.537 7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.125 -7.569 3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.840 -6.888 6.645 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.166 -7.468 3.860 1.00 0.00 H new ATOM 904 N ILE A 67 1.967 -6.404 6.210 1.00 0.00 N ATOM 905 CA ILE A 67 2.649 -7.308 5.282 1.00 0.00 C ATOM 906 C ILE A 67 3.258 -8.534 5.971 1.00 0.00 C ATOM 907 O ILE A 67 2.930 -9.668 5.619 1.00 0.00 O ATOM 908 CB ILE A 67 3.755 -6.549 4.512 1.00 0.00 C ATOM 909 CG1 ILE A 67 3.135 -5.527 3.557 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.652 -7.507 3.749 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.153 -4.638 2.869 1.00 0.00 C ATOM 0 H ILE A 67 2.280 -5.435 6.144 1.00 0.00 H new ATOM 0 HA ILE A 67 1.887 -7.671 4.592 1.00 0.00 H new ATOM 0 HB ILE A 67 4.370 -6.022 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.557 -6.056 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.436 -4.901 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.419 -6.943 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.127 -8.196 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.055 -8.071 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.639 -3.940 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.715 -4.081 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.837 -5.253 2.285 1.00 0.00 H new ATOM 923 N ARG A 68 4.115 -8.309 6.960 1.00 0.00 N ATOM 924 CA ARG A 68 4.916 -9.390 7.526 1.00 0.00 C ATOM 925 C ARG A 68 4.067 -10.341 8.362 1.00 0.00 C ATOM 926 O ARG A 68 4.325 -11.543 8.402 1.00 0.00 O ATOM 927 CB ARG A 68 6.062 -8.816 8.368 1.00 0.00 C ATOM 928 CG ARG A 68 5.613 -8.114 9.637 1.00 0.00 C ATOM 929 CD ARG A 68 6.740 -7.306 10.253 1.00 0.00 C ATOM 930 NE ARG A 68 7.937 -8.106 10.497 1.00 0.00 N ATOM 931 CZ ARG A 68 8.859 -7.797 11.403 1.00 0.00 C ATOM 932 NH1 ARG A 68 8.675 -6.764 12.221 1.00 0.00 N ATOM 933 NH2 ARG A 68 9.959 -8.529 11.503 1.00 0.00 N ATOM 0 H ARG A 68 4.273 -7.395 7.385 1.00 0.00 H new ATOM 0 HA ARG A 68 5.334 -9.963 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.742 -9.625 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.628 -8.112 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.773 -7.457 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.257 -8.852 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.991 -6.476 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.399 -6.873 11.193 1.00 0.00 H new ATOM 0 HE ARG A 68 8.073 -8.950 9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.824 -6.206 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.385 -6.530 12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.097 -9.329 10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.667 -8.293 12.198 1.00 0.00 H new ATOM 947 N THR A 69 3.046 -9.812 9.010 1.00 0.00 N ATOM 948 CA THR A 69 2.224 -10.615 9.902 1.00 0.00 C ATOM 949 C THR A 69 0.835 -10.898 9.326 1.00 0.00 C ATOM 950 O THR A 69 -0.130 -11.096 10.065 1.00 0.00 O ATOM 951 CB THR A 69 2.116 -9.943 11.282 1.00 0.00 C ATOM 952 OG1 THR A 69 2.372 -8.538 11.167 1.00 0.00 O ATOM 953 CG2 THR A 69 3.110 -10.553 12.253 1.00 0.00 C ATOM 0 H THR A 69 2.765 -8.834 8.937 1.00 0.00 H new ATOM 0 HA THR A 69 2.719 -11.579 10.013 1.00 0.00 H new ATOM 0 HB THR A 69 1.106 -10.102 11.659 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.718 -8.135 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.018 -10.064 13.223 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.905 -11.618 12.362 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.122 -10.415 11.872 1.00 0.00 H new ATOM 961 N SER A 70 0.747 -10.939 8.005 1.00 0.00 N ATOM 962 CA SER A 70 -0.473 -11.359 7.325 1.00 0.00 C ATOM 963 C SER A 70 -0.118 -12.035 6.007 1.00 0.00 C ATOM 964 O SER A 70 -0.518 -13.170 5.755 1.00 0.00 O ATOM 965 CB SER A 70 -1.408 -10.170 7.085 1.00 0.00 C ATOM 966 OG SER A 70 -1.802 -9.576 8.311 1.00 0.00 O ATOM 0 H SER A 70 1.510 -10.685 7.378 1.00 0.00 H new ATOM 0 HA SER A 70 -0.999 -12.070 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.907 -9.429 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.290 -10.502 6.538 1.00 0.00 H new ATOM 0 HG SER A 70 -1.423 -10.085 9.058 1.00 0.00 H new ATOM 972 N GLY A 71 0.660 -11.329 5.196 1.00 0.00 N ATOM 973 CA GLY A 71 1.152 -11.864 3.934 1.00 0.00 C ATOM 974 C GLY A 71 0.065 -12.399 3.012 1.00 0.00 C ATOM 975 O GLY A 71 -0.252 -13.587 3.034 1.00 0.00 O ATOM 0 H GLY A 71 0.966 -10.376 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.702 -11.082 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.860 -12.665 4.144 1.00 0.00 H new ATOM 979 N ILE A 72 -0.478 -11.532 2.169 1.00 0.00 N ATOM 980 CA ILE A 72 -1.508 -11.928 1.214 1.00 0.00 C ATOM 981 C ILE A 72 -0.854 -12.462 -0.068 1.00 0.00 C ATOM 982 O ILE A 72 -1.517 -12.745 -1.062 1.00 0.00 O ATOM 983 CB ILE A 72 -2.461 -10.743 0.906 1.00 0.00 C ATOM 984 CG1 ILE A 72 -2.975 -10.139 2.217 1.00 0.00 C ATOM 985 CG2 ILE A 72 -3.637 -11.176 0.039 1.00 0.00 C ATOM 986 CD1 ILE A 72 -3.718 -11.125 3.098 1.00 0.00 C ATOM 0 H ILE A 72 -0.222 -10.546 2.126 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.108 -12.725 1.654 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.896 -9.994 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.131 -9.733 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.636 -9.303 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.281 -10.318 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.266 -11.572 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.206 -11.948 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.050 -10.623 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.583 -11.513 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.055 -11.949 3.361 1.00 0.00 H new ATOM 998 N ARG A 73 0.471 -12.604 -0.023 1.00 0.00 N ATOM 999 CA ARG A 73 1.252 -13.073 -1.171 1.00 0.00 C ATOM 1000 C ARG A 73 0.888 -14.501 -1.552 1.00 0.00 C ATOM 1001 O ARG A 73 1.253 -14.976 -2.624 1.00 0.00 O ATOM 1002 CB ARG A 73 2.743 -13.009 -0.866 1.00 0.00 C ATOM 1003 CG ARG A 73 3.172 -13.965 0.232 1.00 0.00 C ATOM 1004 CD ARG A 73 4.677 -13.941 0.449 1.00 0.00 C ATOM 1005 NE ARG A 73 5.407 -14.477 -0.700 1.00 0.00 N ATOM 1006 CZ ARG A 73 6.395 -15.364 -0.603 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.809 -15.777 0.588 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.984 -15.823 -1.701 1.00 0.00 N ATOM 0 H ARG A 73 1.031 -12.399 0.804 1.00 0.00 H new ATOM 0 HA ARG A 73 1.016 -12.416 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.303 -13.234 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.004 -11.992 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.667 -13.701 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.858 -14.977 -0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.999 -12.917 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.924 -14.521 1.338 1.00 0.00 H new ATOM 0 HE ARG A 73 5.143 -14.152 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.370 -15.415 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.566 -16.457 0.657 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.679 -15.496 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.741 -16.503 -1.628 1.00 0.00 H new ATOM 1022 N THR A 74 0.170 -15.185 -0.670 1.00 0.00 N ATOM 1023 CA THR A 74 -0.329 -16.516 -0.968 1.00 0.00 C ATOM 1024 C THR A 74 -1.520 -16.404 -1.920 1.00 0.00 C ATOM 1025 O THR A 74 -2.175 -17.397 -2.229 1.00 0.00 O ATOM 1026 CB THR A 74 -0.741 -17.269 0.319 1.00 0.00 C ATOM 1027 OG1 THR A 74 -1.077 -18.629 0.014 1.00 0.00 O ATOM 1028 CG2 THR A 74 -1.923 -16.590 0.998 1.00 0.00 C ATOM 0 H THR A 74 -0.078 -14.838 0.256 1.00 0.00 H new ATOM 0 HA THR A 74 0.470 -17.088 -1.440 1.00 0.00 H new ATOM 0 HB THR A 74 0.108 -17.251 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.572 -18.662 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.190 -17.141 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.652 -15.568 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.774 -16.574 0.317 1.00 0.00 H new ATOM 1036 N ASP A 75 -1.765 -15.165 -2.359 1.00 0.00 N ATOM 1037 CA ASP A 75 -2.801 -14.809 -3.333 1.00 0.00 C ATOM 1038 C ASP A 75 -4.213 -15.022 -2.789 1.00 0.00 C ATOM 1039 O ASP A 75 -4.528 -16.038 -2.167 1.00 0.00 O ATOM 1040 CB ASP A 75 -2.557 -15.493 -4.693 1.00 0.00 C ATOM 1041 CG ASP A 75 -3.376 -16.745 -4.952 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -4.537 -16.617 -5.387 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -2.839 -17.859 -4.779 1.00 0.00 O ATOM 0 H ASP A 75 -1.231 -14.358 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.724 -13.737 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.766 -14.773 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.500 -15.750 -4.766 1.00 0.00 H new TER 1048 ASP A 75