USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 472 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 84 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.24) USER MOD Single : A 97 HIS : no HE2:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 167:sc= -2.73! (180deg=-2.78!) USER MOD Single : A 112 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.066) USER MOD Single : A 116 GLN : amide:sc= -0.315 K(o=-0.31,f=-0.83) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 ASN : amide:sc= -0.161 K(o=-0.16,f=-4.1!) USER MOD Single : A 136 TYR OH : rot -28:sc= 0.737 USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.625 -14.306 -2.491 1.00 10.00 N ATOM 38 CA ALA A 78 0.134 -13.233 -1.893 1.00 10.00 C ATOM 39 C ALA A 78 0.944 -12.502 -2.958 1.00 10.00 C ATOM 40 O ALA A 78 0.938 -12.847 -4.141 1.00 10.00 O ATOM 41 CB ALA A 78 1.101 -13.792 -0.884 1.00 10.00 C ATOM 0 HA ALA A 78 -0.566 -12.547 -1.415 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.671 -12.978 -0.436 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.550 -14.320 -0.106 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.783 -14.483 -1.378 1.00 10.00 H new ATOM 47 N GLY A 79 1.612 -11.436 -2.542 1.00 10.00 N ATOM 48 CA GLY A 79 1.685 -10.323 -3.445 1.00 10.00 C ATOM 49 C GLY A 79 0.241 -9.835 -3.548 1.00 10.00 C ATOM 50 O GLY A 79 -0.341 -9.400 -2.559 1.00 10.00 O ATOM 0 H GLY A 79 2.080 -11.328 -1.642 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.344 -9.543 -3.064 1.00 10.00 H new ATOM 0 HA3 GLY A 79 2.075 -10.623 -4.418 1.00 10.00 H new ATOM 54 N LEU A 80 -0.369 -9.926 -4.722 1.00 10.00 N ATOM 55 CA LEU A 80 -1.494 -9.066 -5.025 1.00 10.00 C ATOM 56 C LEU A 80 -2.662 -9.126 -4.035 1.00 10.00 C ATOM 57 O LEU A 80 -3.193 -8.097 -3.611 1.00 10.00 O ATOM 58 CB LEU A 80 -1.893 -9.283 -6.483 1.00 10.00 C ATOM 59 CG LEU A 80 -2.952 -8.277 -6.951 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.552 -7.702 -8.311 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.308 -8.979 -7.043 1.00 10.00 C ATOM 0 H LEU A 80 -0.107 -10.575 -5.464 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.166 -8.035 -4.893 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.010 -9.198 -7.116 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.277 -10.296 -6.606 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.025 -7.457 -6.236 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.307 -6.988 -8.640 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.589 -7.198 -8.224 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -2.475 -8.510 -9.039 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.064 -8.268 -7.375 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.245 -9.801 -7.756 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.583 -9.369 -6.063 1.00 10.00 H new ATOM 73 N GLU A 81 -3.049 -10.337 -3.658 1.00 10.00 N ATOM 74 CA GLU A 81 -4.171 -10.552 -2.761 1.00 10.00 C ATOM 75 C GLU A 81 -3.775 -10.090 -1.361 1.00 10.00 C ATOM 76 O GLU A 81 -4.525 -9.351 -0.727 1.00 10.00 O ATOM 77 CB GLU A 81 -4.585 -12.028 -2.821 1.00 10.00 C ATOM 78 CG GLU A 81 -6.046 -12.308 -2.472 1.00 10.00 C ATOM 79 CD GLU A 81 -6.384 -13.729 -2.905 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.617 -13.902 -4.122 1.00 10.00 O ATOM 81 OE2 GLU A 81 -6.336 -14.622 -2.033 1.00 10.00 O ATOM 0 H GLU A 81 -2.593 -11.196 -3.966 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.042 -9.968 -3.059 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.390 -12.403 -3.826 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -3.950 -12.595 -2.140 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.209 -12.190 -1.401 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -6.699 -11.594 -2.974 1.00 10.00 H new ATOM 88 N ASP A 82 -2.569 -10.464 -0.913 1.00 10.00 N ATOM 89 CA ASP A 82 -2.022 -10.034 0.370 1.00 10.00 C ATOM 90 C ASP A 82 -2.112 -8.518 0.463 1.00 10.00 C ATOM 91 O ASP A 82 -2.627 -7.983 1.441 1.00 10.00 O ATOM 92 CB ASP A 82 -0.554 -10.465 0.552 1.00 10.00 C ATOM 93 CG ASP A 82 -0.387 -11.809 1.242 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.271 -12.671 1.059 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.657 -11.962 1.910 1.00 10.00 O ATOM 0 H ASP A 82 -1.946 -11.077 -1.438 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.606 -10.509 1.158 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.074 -10.508 -0.426 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.031 -9.703 1.130 1.00 10.00 H new ATOM 100 N LEU A 83 -1.621 -7.816 -0.559 1.00 10.00 N ATOM 101 CA LEU A 83 -1.641 -6.382 -0.592 1.00 10.00 C ATOM 102 C LEU A 83 -3.078 -5.846 -0.522 1.00 10.00 C ATOM 103 O LEU A 83 -3.371 -5.000 0.313 1.00 10.00 O ATOM 104 CB LEU A 83 -0.926 -5.969 -1.868 1.00 10.00 C ATOM 105 CG LEU A 83 0.611 -5.971 -1.830 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.196 -5.177 -0.675 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.381 -7.284 -1.808 1.00 10.00 C ATOM 0 H LEU A 83 -1.200 -8.243 -1.384 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.134 -5.957 0.274 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.247 -6.635 -2.669 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.258 -4.966 -2.135 1.00 10.00 H new ATOM 0 HG LEU A 83 0.754 -5.527 -2.815 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.284 -5.225 -0.715 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.876 -4.138 -0.749 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.849 -5.598 0.269 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.451 -7.078 -1.782 1.00 10.00 H new ATOM 0 HD22 LEU A 83 1.100 -7.856 -0.924 1.00 10.00 H new ATOM 0 HD23 LEU A 83 1.144 -7.860 -2.703 1.00 10.00 H new ATOM 119 N GLN A 84 -4.008 -6.311 -1.358 1.00 10.00 N ATOM 120 CA GLN A 84 -5.367 -5.769 -1.305 1.00 10.00 C ATOM 121 C GLN A 84 -6.040 -6.050 0.050 1.00 10.00 C ATOM 122 O GLN A 84 -6.701 -5.178 0.619 1.00 10.00 O ATOM 123 CB GLN A 84 -6.178 -6.344 -2.476 1.00 10.00 C ATOM 124 CG GLN A 84 -7.450 -5.527 -2.750 1.00 10.00 C ATOM 125 CD GLN A 84 -7.137 -4.077 -3.113 1.00 10.00 C ATOM 126 OE1 GLN A 84 -7.390 -3.165 -2.335 1.00 10.00 O ATOM 127 NE2 GLN A 84 -6.560 -3.848 -4.288 1.00 10.00 N ATOM 0 H GLN A 84 -3.854 -7.037 -2.058 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.324 -4.684 -1.401 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.558 -6.362 -3.372 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.450 -7.376 -2.256 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.010 -5.991 -3.563 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.091 -5.549 -1.869 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -6.360 -4.625 -4.918 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -6.317 -2.895 -4.560 1.00 10.00 H new ATOM 136 N VAL A 85 -5.879 -7.259 0.590 1.00 10.00 N ATOM 137 CA VAL A 85 -6.382 -7.629 1.885 1.00 10.00 C ATOM 138 C VAL A 85 -5.736 -6.737 2.952 1.00 10.00 C ATOM 139 O VAL A 85 -6.420 -6.302 3.874 1.00 10.00 O ATOM 140 CB VAL A 85 -6.101 -9.129 2.042 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.368 -9.573 3.464 1.00 10.00 C ATOM 142 CG2 VAL A 85 -6.990 -9.960 1.103 1.00 10.00 C ATOM 0 H VAL A 85 -5.382 -8.014 0.117 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.455 -7.473 2.000 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.053 -9.290 1.789 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -6.163 -10.640 3.557 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.722 -9.019 4.145 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.411 -9.380 3.716 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.769 -11.019 1.236 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.039 -9.776 1.337 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -6.794 -9.675 0.069 1.00 10.00 H new ATOM 152 N ALA A 86 -4.440 -6.427 2.813 1.00 10.00 N ATOM 153 CA ALA A 86 -3.765 -5.430 3.633 1.00 10.00 C ATOM 154 C ALA A 86 -4.554 -4.122 3.572 1.00 10.00 C ATOM 155 O ALA A 86 -5.075 -3.647 4.581 1.00 10.00 O ATOM 156 CB ALA A 86 -2.296 -5.245 3.185 1.00 10.00 C ATOM 0 H ALA A 86 -3.833 -6.868 2.122 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.730 -5.768 4.669 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.816 -4.495 3.814 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.765 -6.192 3.279 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.271 -4.917 2.146 1.00 10.00 H new ATOM 162 N PHE A 87 -4.650 -3.558 2.367 1.00 10.00 N ATOM 163 CA PHE A 87 -5.268 -2.271 2.082 1.00 10.00 C ATOM 164 C PHE A 87 -6.587 -2.114 2.807 1.00 10.00 C ATOM 165 O PHE A 87 -6.769 -1.090 3.464 1.00 10.00 O ATOM 166 CB PHE A 87 -5.390 -2.078 0.564 1.00 10.00 C ATOM 167 CG PHE A 87 -4.064 -1.977 -0.168 1.00 10.00 C ATOM 168 CD1 PHE A 87 -2.852 -1.970 0.552 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.029 -2.091 -1.571 1.00 10.00 C ATOM 170 CE1 PHE A 87 -1.671 -2.341 -0.085 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.803 -2.312 -2.226 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.632 -2.480 -1.470 1.00 10.00 C ATOM 0 H PHE A 87 -4.282 -4.009 1.529 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.628 -1.475 2.464 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.957 -2.912 0.149 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -5.967 -1.173 0.371 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -2.840 -1.678 1.592 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.941 -2.009 -2.143 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -0.780 -2.522 0.498 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.763 -2.352 -3.305 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.701 -2.717 -1.963 1.00 10.00 H new ATOM 182 N ARG A 88 -7.442 -3.142 2.757 1.00 10.00 N ATOM 183 CA ARG A 88 -8.731 -3.148 3.437 1.00 10.00 C ATOM 184 C ARG A 88 -8.677 -2.493 4.830 1.00 10.00 C ATOM 185 O ARG A 88 -9.601 -1.771 5.196 1.00 10.00 O ATOM 186 CB ARG A 88 -9.296 -4.573 3.496 1.00 10.00 C ATOM 187 CG ARG A 88 -10.734 -4.632 4.039 1.00 10.00 C ATOM 188 CD ARG A 88 -11.759 -3.817 3.236 1.00 10.00 C ATOM 189 NE ARG A 88 -11.857 -4.257 1.831 1.00 10.00 N ATOM 190 CZ ARG A 88 -12.493 -3.571 0.861 1.00 10.00 C ATOM 191 NH1 ARG A 88 -12.955 -2.345 1.097 1.00 10.00 N ATOM 192 NH2 ARG A 88 -12.698 -4.117 -0.342 1.00 10.00 N ATOM 0 H ARG A 88 -7.252 -3.999 2.237 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.411 -2.532 2.849 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.274 -5.008 2.497 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.651 -5.187 4.125 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.056 -5.673 4.062 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.734 -4.275 5.069 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -12.737 -3.903 3.709 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.483 -2.763 3.265 1.00 10.00 H new ATOM 0 HE ARG A 88 -11.414 -5.140 1.577 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.828 -1.920 2.016 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -13.436 -1.830 0.359 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -12.372 -5.064 -0.535 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -13.181 -3.587 -1.067 1.00 10.00 H new ATOM 206 N ALA A 89 -7.603 -2.723 5.597 1.00 10.00 N ATOM 207 CA ALA A 89 -7.411 -2.117 6.910 1.00 10.00 C ATOM 208 C ALA A 89 -7.565 -0.587 6.893 1.00 10.00 C ATOM 209 O ALA A 89 -8.316 -0.046 7.701 1.00 10.00 O ATOM 210 CB ALA A 89 -6.048 -2.532 7.475 1.00 10.00 C ATOM 0 H ALA A 89 -6.841 -3.340 5.317 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.202 -2.488 7.562 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.907 -2.078 8.456 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.008 -3.617 7.568 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.258 -2.196 6.803 1.00 10.00 H new ATOM 216 N PHE A 90 -6.856 0.115 6.001 1.00 10.00 N ATOM 217 CA PHE A 90 -6.887 1.573 5.910 1.00 10.00 C ATOM 218 C PHE A 90 -7.580 2.032 4.629 1.00 10.00 C ATOM 219 O PHE A 90 -7.280 3.115 4.138 1.00 10.00 O ATOM 220 CB PHE A 90 -5.461 2.069 6.038 1.00 10.00 C ATOM 221 CG PHE A 90 -4.905 1.661 7.389 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.310 2.340 8.551 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.102 0.517 7.498 1.00 10.00 C ATOM 224 CE1 PHE A 90 -4.870 1.909 9.811 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.678 0.073 8.757 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.061 0.764 9.919 1.00 10.00 C ATOM 0 H PHE A 90 -6.239 -0.322 5.316 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.480 2.004 6.717 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.847 1.654 5.239 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.431 3.153 5.932 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -5.963 3.197 8.473 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.810 -0.023 6.610 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.152 2.456 10.698 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.054 -0.805 8.835 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.736 0.418 10.889 1.00 10.00 H new ATOM 236 N ASP A 91 -8.498 1.221 4.089 1.00 10.00 N ATOM 237 CA ASP A 91 -9.171 1.505 2.831 1.00 10.00 C ATOM 238 C ASP A 91 -10.599 1.970 3.070 1.00 10.00 C ATOM 239 O ASP A 91 -11.396 1.284 3.706 1.00 10.00 O ATOM 240 CB ASP A 91 -9.125 0.278 1.920 1.00 10.00 C ATOM 241 CG ASP A 91 -9.730 0.504 0.548 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.869 1.684 0.151 1.00 10.00 O ATOM 243 OD2 ASP A 91 -10.081 -0.517 -0.077 1.00 10.00 O ATOM 0 H ASP A 91 -8.791 0.345 4.521 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.646 2.319 2.330 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -8.088 -0.034 1.801 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.651 -0.543 2.407 1.00 10.00 H new ATOM 296 N GLY A 96 -9.242 7.529 -3.128 1.00 10.00 N ATOM 297 CA GLY A 96 -8.457 8.506 -3.856 1.00 10.00 C ATOM 298 C GLY A 96 -6.995 8.428 -3.439 1.00 10.00 C ATOM 299 O GLY A 96 -6.121 8.555 -4.293 1.00 10.00 O ATOM 0 HA2 GLY A 96 -8.546 8.328 -4.928 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -8.843 9.507 -3.666 1.00 10.00 H new ATOM 303 N HIS A 97 -6.712 8.222 -2.146 1.00 10.00 N ATOM 304 CA HIS A 97 -5.349 8.205 -1.640 1.00 10.00 C ATOM 305 C HIS A 97 -5.163 7.218 -0.478 1.00 10.00 C ATOM 306 O HIS A 97 -5.883 7.290 0.519 1.00 10.00 O ATOM 307 CB HIS A 97 -4.954 9.640 -1.263 1.00 10.00 C ATOM 308 CG HIS A 97 -3.545 9.826 -0.768 1.00 10.00 C ATOM 309 ND1 HIS A 97 -3.192 10.318 0.467 1.00 10.00 N ATOM 310 CD2 HIS A 97 -2.409 9.764 -1.529 1.00 10.00 C ATOM 311 CE1 HIS A 97 -1.868 10.548 0.446 1.00 10.00 C ATOM 312 NE2 HIS A 97 -1.349 10.250 -0.756 1.00 10.00 N ATOM 0 H HIS A 97 -7.423 8.064 -1.432 1.00 10.00 H new ATOM 0 HA HIS A 97 -4.681 7.842 -2.421 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.099 10.277 -2.135 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.639 9.994 -0.492 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -3.820 10.479 1.254 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.343 9.404 -2.545 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -1.298 10.922 1.284 1.00 10.00 H new ATOM 320 N ILE A 98 -4.165 6.327 -0.566 1.00 10.00 N ATOM 321 CA ILE A 98 -3.627 5.700 0.632 1.00 10.00 C ATOM 322 C ILE A 98 -2.753 6.697 1.370 1.00 10.00 C ATOM 323 O ILE A 98 -1.972 7.448 0.792 1.00 10.00 O ATOM 324 CB ILE A 98 -2.800 4.413 0.439 1.00 10.00 C ATOM 325 CG1 ILE A 98 -1.664 4.472 -0.588 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.598 3.118 0.328 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.326 4.600 0.140 1.00 10.00 C ATOM 0 H ILE A 98 -3.727 6.034 -1.439 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.516 5.397 1.185 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.301 4.375 1.407 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.670 3.573 -1.205 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.808 5.320 -1.258 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -2.914 2.280 0.195 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.180 2.970 1.237 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.270 3.177 -0.528 1.00 10.00 H new ATOM 0 HD11 ILE A 98 0.483 4.642 -0.590 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.323 5.511 0.738 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.182 3.738 0.792 1.00 10.00 H new ATOM 339 N THR A 99 -2.835 6.596 2.683 1.00 10.00 N ATOM 340 CA THR A 99 -1.806 6.996 3.603 1.00 10.00 C ATOM 341 C THR A 99 -0.747 5.887 3.582 1.00 10.00 C ATOM 342 O THR A 99 -0.980 4.755 3.999 1.00 10.00 O ATOM 343 CB THR A 99 -2.564 7.257 4.901 1.00 10.00 C ATOM 344 OG1 THR A 99 -3.202 8.514 4.806 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.674 7.233 6.111 1.00 10.00 C ATOM 0 H THR A 99 -3.658 6.216 3.150 1.00 10.00 H new ATOM 0 HA THR A 99 -1.237 7.901 3.388 1.00 10.00 H new ATOM 0 HB THR A 99 -3.291 6.455 5.029 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.695 8.694 5.634 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.269 7.425 7.004 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.199 6.255 6.194 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.907 8.001 6.014 1.00 10.00 H new ATOM 353 N VAL A 100 0.429 6.228 3.049 1.00 10.00 N ATOM 354 CA VAL A 100 1.602 5.372 2.943 1.00 10.00 C ATOM 355 C VAL A 100 1.916 4.671 4.275 1.00 10.00 C ATOM 356 O VAL A 100 2.370 3.526 4.304 1.00 10.00 O ATOM 357 CB VAL A 100 2.761 6.252 2.435 1.00 10.00 C ATOM 358 CG1 VAL A 100 4.109 5.573 2.627 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.605 6.543 0.936 1.00 10.00 C ATOM 0 H VAL A 100 0.592 7.157 2.661 1.00 10.00 H new ATOM 0 HA VAL A 100 1.428 4.559 2.238 1.00 10.00 H new ATOM 0 HB VAL A 100 2.725 7.174 3.015 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.901 6.225 2.257 1.00 10.00 H new ATOM 0 HG12 VAL A 100 4.269 5.374 3.687 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.125 4.633 2.075 1.00 10.00 H new ATOM 0 HG21 VAL A 100 3.433 7.166 0.598 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.606 5.605 0.381 1.00 10.00 H new ATOM 0 HG23 VAL A 100 1.664 7.066 0.763 1.00 10.00 H new ATOM 369 N ASP A 101 1.720 5.365 5.394 1.00 10.00 N ATOM 370 CA ASP A 101 2.098 4.838 6.695 1.00 10.00 C ATOM 371 C ASP A 101 1.140 3.740 7.167 1.00 10.00 C ATOM 372 O ASP A 101 1.550 2.641 7.533 1.00 10.00 O ATOM 373 CB ASP A 101 2.225 6.028 7.637 1.00 10.00 C ATOM 374 CG ASP A 101 3.449 6.864 7.270 1.00 10.00 C ATOM 375 OD1 ASP A 101 4.571 6.299 7.319 1.00 10.00 O ATOM 376 OD2 ASP A 101 3.232 8.027 6.873 1.00 10.00 O ATOM 0 H ASP A 101 1.301 6.294 5.422 1.00 10.00 H new ATOM 0 HA ASP A 101 3.060 4.326 6.657 1.00 10.00 H new ATOM 0 HB2 ASP A 101 1.326 6.642 7.582 1.00 10.00 H new ATOM 0 HB3 ASP A 101 2.309 5.679 8.666 1.00 10.00 H new ATOM 381 N GLU A 102 -0.151 4.044 7.102 1.00 10.00 N ATOM 382 CA GLU A 102 -1.285 3.135 7.169 1.00 10.00 C ATOM 383 C GLU A 102 -1.048 1.912 6.290 1.00 10.00 C ATOM 384 O GLU A 102 -1.183 0.784 6.753 1.00 10.00 O ATOM 385 CB GLU A 102 -2.539 3.915 6.780 1.00 10.00 C ATOM 386 CG GLU A 102 -3.034 4.712 7.998 1.00 10.00 C ATOM 387 CD GLU A 102 -4.373 5.394 7.761 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.785 5.460 6.584 1.00 10.00 O ATOM 389 OE2 GLU A 102 -4.970 5.815 8.774 1.00 10.00 O ATOM 0 H GLU A 102 -0.454 5.012 6.992 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.416 2.751 8.181 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.320 4.590 5.953 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.316 3.231 6.437 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.121 4.041 8.853 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.290 5.465 8.258 1.00 10.00 H new ATOM 396 N LEU A 103 -0.629 2.127 5.044 1.00 10.00 N ATOM 397 CA LEU A 103 -0.166 1.057 4.172 1.00 10.00 C ATOM 398 C LEU A 103 0.802 0.128 4.918 1.00 10.00 C ATOM 399 O LEU A 103 0.561 -1.069 5.011 1.00 10.00 O ATOM 400 CB LEU A 103 0.490 1.672 2.935 1.00 10.00 C ATOM 401 CG LEU A 103 0.039 0.955 1.670 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.806 1.561 0.484 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.426 -0.525 1.787 1.00 10.00 C ATOM 0 H LEU A 103 -0.602 3.051 4.613 1.00 10.00 H new ATOM 0 HA LEU A 103 -1.014 0.449 3.856 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.234 2.729 2.870 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.575 1.612 3.025 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.037 1.057 1.531 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.502 1.065 -0.438 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.584 2.626 0.413 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.877 1.423 0.634 1.00 10.00 H new ATOM 0 HD21 LEU A 103 0.111 -1.056 0.889 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.507 -0.611 1.898 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.064 -0.962 2.657 1.00 10.00 H new ATOM 415 N ARG A 104 1.882 0.674 5.482 1.00 10.00 N ATOM 416 CA ARG A 104 2.855 -0.101 6.255 1.00 10.00 C ATOM 417 C ARG A 104 2.162 -0.853 7.400 1.00 10.00 C ATOM 418 O ARG A 104 2.278 -2.071 7.526 1.00 10.00 O ATOM 419 CB ARG A 104 3.975 0.838 6.746 1.00 10.00 C ATOM 420 CG ARG A 104 5.346 0.145 6.842 1.00 10.00 C ATOM 421 CD ARG A 104 6.498 1.143 7.066 1.00 10.00 C ATOM 422 NE ARG A 104 6.430 2.308 6.153 1.00 10.00 N ATOM 423 CZ ARG A 104 6.336 3.586 6.565 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.815 3.960 7.755 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.725 4.492 5.802 1.00 10.00 N ATOM 0 H ARG A 104 2.107 1.667 5.415 1.00 10.00 H new ATOM 0 HA ARG A 104 3.313 -0.863 5.624 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.051 1.688 6.068 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.706 1.234 7.725 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.329 -0.575 7.660 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.530 -0.417 5.927 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.474 1.493 8.098 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.450 0.631 6.925 1.00 10.00 H new ATOM 0 HE ARG A 104 6.456 2.130 5.149 1.00 10.00 H new ATOM 0 HH11 ARG A 104 7.259 3.273 8.365 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.737 4.932 8.054 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.327 4.218 4.904 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.655 5.460 6.116 1.00 10.00 H new ATOM 439 N ARG A 105 1.409 -0.116 8.222 1.00 10.00 N ATOM 440 CA ARG A 105 0.623 -0.652 9.329 1.00 10.00 C ATOM 441 C ARG A 105 -0.266 -1.824 8.900 1.00 10.00 C ATOM 442 O ARG A 105 -0.399 -2.789 9.648 1.00 10.00 O ATOM 443 CB ARG A 105 -0.205 0.480 9.961 1.00 10.00 C ATOM 444 CG ARG A 105 0.516 1.127 11.151 1.00 10.00 C ATOM 445 CD ARG A 105 -0.017 0.578 12.485 1.00 10.00 C ATOM 446 NE ARG A 105 -1.063 1.459 13.037 1.00 10.00 N ATOM 447 CZ ARG A 105 -1.878 1.171 14.067 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.930 -0.072 14.558 1.00 10.00 N ATOM 449 NH2 ARG A 105 -2.633 2.136 14.606 1.00 10.00 N ATOM 0 H ARG A 105 1.330 0.897 8.130 1.00 10.00 H new ATOM 0 HA ARG A 105 1.311 -1.053 10.073 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.414 1.240 9.208 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.166 0.085 10.291 1.00 10.00 H new ATOM 0 HG2 ARG A 105 1.587 0.938 11.078 1.00 10.00 H new ATOM 0 HG3 ARG A 105 0.380 2.208 11.119 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.421 -0.423 12.335 1.00 10.00 H new ATOM 0 HD3 ARG A 105 0.802 0.488 13.199 1.00 10.00 H new ATOM 0 HE ARG A 105 -1.179 2.372 12.597 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -1.350 -0.806 14.151 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -2.550 -0.286 15.339 1.00 10.00 H new ATOM 0 HH21 ARG A 105 -2.589 3.085 14.235 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -3.253 1.922 15.387 1.00 10.00 H new ATOM 463 N ALA A 106 -0.875 -1.762 7.715 1.00 10.00 N ATOM 464 CA ALA A 106 -1.762 -2.803 7.209 1.00 10.00 C ATOM 465 C ALA A 106 -1.118 -4.183 7.311 1.00 10.00 C ATOM 466 O ALA A 106 -1.752 -5.159 7.717 1.00 10.00 O ATOM 467 CB ALA A 106 -2.127 -2.500 5.759 1.00 10.00 C ATOM 0 H ALA A 106 -0.763 -0.977 7.074 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.664 -2.812 7.821 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.790 -3.278 5.380 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.631 -1.535 5.705 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.221 -2.470 5.154 1.00 10.00 H new ATOM 473 N MET A 107 0.169 -4.260 6.976 1.00 10.00 N ATOM 474 CA MET A 107 0.885 -5.520 6.963 1.00 10.00 C ATOM 475 C MET A 107 1.047 -6.082 8.382 1.00 10.00 C ATOM 476 O MET A 107 1.175 -7.294 8.551 1.00 10.00 O ATOM 477 CB MET A 107 2.204 -5.370 6.201 1.00 10.00 C ATOM 478 CG MET A 107 1.987 -5.333 4.685 1.00 10.00 C ATOM 479 SD MET A 107 1.089 -3.919 4.034 1.00 10.00 S ATOM 480 CE MET A 107 0.977 -4.476 2.340 1.00 10.00 C ATOM 0 H MET A 107 0.735 -3.454 6.709 1.00 10.00 H new ATOM 0 HA MET A 107 0.299 -6.264 6.424 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.705 -4.455 6.518 1.00 10.00 H new ATOM 0 HB3 MET A 107 2.865 -6.199 6.453 1.00 10.00 H new ATOM 0 HG2 MET A 107 2.963 -5.369 4.200 1.00 10.00 H new ATOM 0 HG3 MET A 107 1.453 -6.238 4.395 1.00 10.00 H new ATOM 0 HE1 MET A 107 0.258 -3.859 1.801 1.00 10.00 H new ATOM 0 HE2 MET A 107 1.954 -4.393 1.864 1.00 10.00 H new ATOM 0 HE3 MET A 107 0.651 -5.516 2.320 1.00 10.00 H new ATOM 490 N ALA A 108 0.981 -5.229 9.412 1.00 10.00 N ATOM 491 CA ALA A 108 0.895 -5.688 10.792 1.00 10.00 C ATOM 492 C ALA A 108 -0.394 -6.483 10.996 1.00 10.00 C ATOM 493 O ALA A 108 -0.387 -7.514 11.661 1.00 10.00 O ATOM 494 CB ALA A 108 0.955 -4.505 11.765 1.00 10.00 C ATOM 0 H ALA A 108 0.986 -4.214 9.308 1.00 10.00 H new ATOM 0 HA ALA A 108 1.747 -6.336 10.997 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.889 -4.872 12.789 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.896 -3.971 11.631 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.123 -3.829 11.568 1.00 10.00 H new ATOM 500 N GLY A 109 -1.496 -6.006 10.407 1.00 10.00 N ATOM 501 CA GLY A 109 -2.767 -6.709 10.419 1.00 10.00 C ATOM 502 C GLY A 109 -2.625 -8.069 9.741 1.00 10.00 C ATOM 503 O GLY A 109 -3.105 -9.075 10.255 1.00 10.00 O ATOM 0 H GLY A 109 -1.523 -5.117 9.908 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -3.108 -6.841 11.446 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.524 -6.116 9.905 1.00 10.00 H new ATOM 507 N LEU A 110 -1.957 -8.093 8.583 1.00 10.00 N ATOM 508 CA LEU A 110 -1.691 -9.330 7.855 1.00 10.00 C ATOM 509 C LEU A 110 -0.875 -10.307 8.710 1.00 10.00 C ATOM 510 O LEU A 110 -1.209 -11.487 8.791 1.00 10.00 O ATOM 511 CB LEU A 110 -0.985 -9.021 6.523 1.00 10.00 C ATOM 512 CG LEU A 110 -1.638 -9.719 5.323 1.00 10.00 C ATOM 513 CD1 LEU A 110 -2.968 -9.052 4.954 1.00 10.00 C ATOM 514 CD2 LEU A 110 -0.713 -9.615 4.109 1.00 10.00 C ATOM 0 H LEU A 110 -1.588 -7.257 8.129 1.00 10.00 H new ATOM 0 HA LEU A 110 -2.642 -9.813 7.631 1.00 10.00 H new ATOM 0 HB2 LEU A 110 -0.990 -7.944 6.357 1.00 10.00 H new ATOM 0 HB3 LEU A 110 0.059 -9.328 6.591 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.815 -10.759 5.597 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -3.409 -9.567 4.100 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -3.650 -9.106 5.802 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -2.792 -8.008 4.696 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -1.176 -10.111 3.256 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -0.542 -8.565 3.870 1.00 10.00 H new ATOM 0 HD23 LEU A 110 0.239 -10.095 4.335 1.00 10.00 H new ATOM 526 N GLY A 111 0.201 -9.821 9.337 1.00 10.00 N ATOM 527 CA GLY A 111 1.002 -10.579 10.280 1.00 10.00 C ATOM 528 C GLY A 111 2.469 -10.165 10.228 1.00 10.00 C ATOM 529 O GLY A 111 3.096 -9.967 11.266 1.00 10.00 O ATOM 0 H GLY A 111 0.539 -8.869 9.194 1.00 10.00 H new ATOM 0 HA2 GLY A 111 0.616 -10.430 11.289 1.00 10.00 H new ATOM 0 HA3 GLY A 111 0.915 -11.643 10.060 1.00 10.00 H new ATOM 533 N GLN A 112 3.019 -10.040 9.016 1.00 10.00 N ATOM 534 CA GLN A 112 4.396 -9.621 8.782 1.00 10.00 C ATOM 535 C GLN A 112 4.425 -8.145 8.370 1.00 10.00 C ATOM 536 O GLN A 112 4.332 -7.872 7.176 1.00 10.00 O ATOM 537 CB GLN A 112 5.062 -10.536 7.736 1.00 10.00 C ATOM 538 CG GLN A 112 4.322 -10.679 6.390 1.00 10.00 C ATOM 539 CD GLN A 112 5.120 -10.127 5.209 1.00 10.00 C ATOM 540 OE1 GLN A 112 6.265 -10.512 4.996 1.00 10.00 O ATOM 541 NE2 GLN A 112 4.524 -9.242 4.415 1.00 10.00 N ATOM 0 H GLN A 112 2.505 -10.232 8.156 1.00 10.00 H new ATOM 0 HA GLN A 112 4.973 -9.717 9.702 1.00 10.00 H new ATOM 0 HB2 GLN A 112 6.065 -10.157 7.538 1.00 10.00 H new ATOM 0 HB3 GLN A 112 5.177 -11.529 8.172 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.102 -11.732 6.213 1.00 10.00 H new ATOM 0 HG3 GLN A 112 3.366 -10.159 6.450 1.00 10.00 H new ATOM 0 HE21 GLN A 112 3.571 -8.938 4.615 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.020 -8.867 3.606 1.00 10.00 H new ATOM 550 N PRO A 113 4.547 -7.180 9.302 1.00 10.00 N ATOM 551 CA PRO A 113 4.601 -5.770 8.952 1.00 10.00 C ATOM 552 C PRO A 113 5.848 -5.495 8.117 1.00 10.00 C ATOM 553 O PRO A 113 6.949 -5.458 8.662 1.00 10.00 O ATOM 554 CB PRO A 113 4.614 -5.001 10.275 1.00 10.00 C ATOM 555 CG PRO A 113 5.211 -6.001 11.261 1.00 10.00 C ATOM 556 CD PRO A 113 4.708 -7.348 10.738 1.00 10.00 C ATOM 0 HA PRO A 113 3.748 -5.459 8.349 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.217 -4.095 10.207 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.611 -4.695 10.571 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.300 -5.954 11.272 1.00 10.00 H new ATOM 0 HG3 PRO A 113 4.873 -5.813 12.280 1.00 10.00 H new ATOM 0 HD2 PRO A 113 5.418 -8.144 10.961 1.00 10.00 H new ATOM 0 HD3 PRO A 113 3.764 -7.622 11.208 1.00 10.00 H new ATOM 564 N LEU A 114 5.678 -5.311 6.802 1.00 10.00 N ATOM 565 CA LEU A 114 6.772 -5.007 5.894 1.00 10.00 C ATOM 566 C LEU A 114 7.594 -3.837 6.460 1.00 10.00 C ATOM 567 O LEU A 114 7.049 -2.740 6.601 1.00 10.00 O ATOM 568 CB LEU A 114 6.221 -4.657 4.504 1.00 10.00 C ATOM 569 CG LEU A 114 5.772 -5.875 3.678 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.255 -5.380 2.320 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.904 -6.892 3.464 1.00 10.00 C ATOM 0 H LEU A 114 4.769 -5.371 6.343 1.00 10.00 H new ATOM 0 HA LEU A 114 7.418 -5.880 5.796 1.00 10.00 H new ATOM 0 HB2 LEU A 114 5.375 -3.980 4.621 1.00 10.00 H new ATOM 0 HB3 LEU A 114 6.987 -4.117 3.947 1.00 10.00 H new ATOM 0 HG LEU A 114 4.986 -6.389 4.231 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.932 -6.232 1.721 1.00 10.00 H new ATOM 0 HD12 LEU A 114 4.413 -4.706 2.475 1.00 10.00 H new ATOM 0 HD13 LEU A 114 6.052 -4.851 1.798 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.533 -7.731 2.875 1.00 10.00 H new ATOM 0 HD22 LEU A 114 7.728 -6.413 2.934 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.255 -7.254 4.430 1.00 10.00 H new ATOM 583 N PRO A 115 8.869 -4.056 6.829 1.00 10.00 N ATOM 584 CA PRO A 115 9.684 -3.035 7.463 1.00 10.00 C ATOM 585 C PRO A 115 10.024 -1.927 6.473 1.00 10.00 C ATOM 586 O PRO A 115 9.648 -1.996 5.299 1.00 10.00 O ATOM 587 CB PRO A 115 10.929 -3.756 7.986 1.00 10.00 C ATOM 588 CG PRO A 115 11.055 -4.964 7.059 1.00 10.00 C ATOM 589 CD PRO A 115 9.604 -5.308 6.731 1.00 10.00 C ATOM 0 HA PRO A 115 9.161 -2.543 8.283 1.00 10.00 H new ATOM 0 HB2 PRO A 115 11.812 -3.119 7.938 1.00 10.00 H new ATOM 0 HB3 PRO A 115 10.811 -4.059 9.026 1.00 10.00 H new ATOM 0 HG2 PRO A 115 11.624 -4.724 6.161 1.00 10.00 H new ATOM 0 HG3 PRO A 115 11.565 -5.794 7.547 1.00 10.00 H new ATOM 0 HD2 PRO A 115 9.519 -5.734 5.731 1.00 10.00 H new ATOM 0 HD3 PRO A 115 9.210 -6.048 7.427 1.00 10.00 H new ATOM 597 N GLN A 116 10.713 -0.890 6.974 1.00 10.00 N ATOM 598 CA GLN A 116 10.882 0.359 6.255 1.00 10.00 C ATOM 599 C GLN A 116 11.318 0.103 4.820 1.00 10.00 C ATOM 600 O GLN A 116 10.542 0.406 3.950 1.00 10.00 O ATOM 601 CB GLN A 116 11.777 1.361 7.000 1.00 10.00 C ATOM 602 CG GLN A 116 11.859 2.719 6.274 1.00 10.00 C ATOM 603 CD GLN A 116 10.520 3.464 6.202 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.621 3.108 5.447 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.359 4.523 6.992 1.00 10.00 N ATOM 0 H GLN A 116 11.164 -0.905 7.889 1.00 10.00 H new ATOM 0 HA GLN A 116 9.908 0.846 6.207 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.390 1.512 8.008 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.779 0.944 7.103 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.588 3.349 6.783 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.229 2.558 5.262 1.00 10.00 H new ATOM 0 HE21 GLN A 116 11.112 4.812 7.617 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.483 5.045 6.973 1.00 10.00 H new ATOM 614 N GLU A 117 12.476 -0.498 4.560 1.00 10.00 N ATOM 615 CA GLU A 117 12.899 -1.024 3.252 1.00 10.00 C ATOM 616 C GLU A 117 11.794 -1.603 2.348 1.00 10.00 C ATOM 617 O GLU A 117 11.680 -1.212 1.186 1.00 10.00 O ATOM 618 CB GLU A 117 13.965 -2.083 3.555 1.00 10.00 C ATOM 619 CG GLU A 117 13.367 -3.173 4.456 1.00 10.00 C ATOM 620 CD GLU A 117 14.366 -3.704 5.470 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.249 -4.483 5.054 1.00 10.00 O ATOM 622 OE2 GLU A 117 14.230 -3.293 6.643 1.00 10.00 O ATOM 0 H GLU A 117 13.181 -0.641 5.283 1.00 10.00 H new ATOM 0 HA GLU A 117 13.265 -0.185 2.661 1.00 10.00 H new ATOM 0 HB2 GLU A 117 14.329 -2.524 2.627 1.00 10.00 H new ATOM 0 HB3 GLU A 117 14.822 -1.621 4.046 1.00 10.00 H new ATOM 0 HG2 GLU A 117 12.501 -2.771 4.981 1.00 10.00 H new ATOM 0 HG3 GLU A 117 13.011 -3.996 3.837 1.00 10.00 H new ATOM 629 N GLU A 118 11.016 -2.571 2.833 1.00 10.00 N ATOM 630 CA GLU A 118 10.118 -3.331 1.983 1.00 10.00 C ATOM 631 C GLU A 118 8.985 -2.418 1.565 1.00 10.00 C ATOM 632 O GLU A 118 8.583 -2.400 0.403 1.00 10.00 O ATOM 633 CB GLU A 118 9.575 -4.549 2.734 1.00 10.00 C ATOM 634 CG GLU A 118 10.547 -5.737 2.724 1.00 10.00 C ATOM 635 CD GLU A 118 10.288 -6.659 1.538 1.00 10.00 C ATOM 636 OE1 GLU A 118 10.459 -6.184 0.396 1.00 10.00 O ATOM 637 OE2 GLU A 118 9.890 -7.815 1.798 1.00 10.00 O ATOM 0 H GLU A 118 10.995 -2.843 3.816 1.00 10.00 H new ATOM 0 HA GLU A 118 10.650 -3.694 1.104 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.362 -4.269 3.766 1.00 10.00 H new ATOM 0 HB3 GLU A 118 8.630 -4.855 2.285 1.00 10.00 H new ATOM 0 HG2 GLU A 118 11.572 -5.369 2.684 1.00 10.00 H new ATOM 0 HG3 GLU A 118 10.446 -6.299 3.652 1.00 10.00 H new ATOM 644 N LEU A 119 8.478 -1.634 2.518 1.00 10.00 N ATOM 645 CA LEU A 119 7.535 -0.606 2.145 1.00 10.00 C ATOM 646 C LEU A 119 8.250 0.401 1.245 1.00 10.00 C ATOM 647 O LEU A 119 7.806 0.596 0.135 1.00 10.00 O ATOM 648 CB LEU A 119 6.853 0.009 3.374 1.00 10.00 C ATOM 649 CG LEU A 119 5.322 0.144 3.213 1.00 10.00 C ATOM 650 CD1 LEU A 119 4.884 0.997 2.020 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.624 -1.222 3.158 1.00 10.00 C ATOM 0 H LEU A 119 8.699 -1.693 3.512 1.00 10.00 H new ATOM 0 HA LEU A 119 6.711 -1.030 1.572 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.068 -0.607 4.247 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.281 0.993 3.565 1.00 10.00 H new ATOM 0 HG LEU A 119 5.006 0.675 4.111 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.795 1.038 1.982 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.282 2.006 2.128 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.262 0.555 1.098 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.550 -1.077 3.044 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.005 -1.791 2.310 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.821 -1.769 4.080 1.00 10.00 H new ATOM 663 N ASP A 120 9.341 1.017 1.700 1.00 10.00 N ATOM 664 CA ASP A 120 10.186 2.035 1.081 1.00 10.00 C ATOM 665 C ASP A 120 10.308 1.861 -0.423 1.00 10.00 C ATOM 666 O ASP A 120 10.025 2.770 -1.204 1.00 10.00 O ATOM 667 CB ASP A 120 11.579 2.131 1.710 1.00 10.00 C ATOM 668 CG ASP A 120 12.404 3.217 1.031 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.046 4.398 1.219 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.377 2.847 0.341 1.00 10.00 O ATOM 0 H ASP A 120 9.696 0.783 2.627 1.00 10.00 H new ATOM 0 HA ASP A 120 9.670 2.975 1.276 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.488 2.348 2.774 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.089 1.172 1.623 1.00 10.00 H new ATOM 675 N ALA A 121 10.699 0.648 -0.799 1.00 10.00 N ATOM 676 CA ALA A 121 10.712 0.186 -2.169 1.00 10.00 C ATOM 677 C ALA A 121 9.392 0.574 -2.865 1.00 10.00 C ATOM 678 O ALA A 121 9.369 1.464 -3.719 1.00 10.00 O ATOM 679 CB ALA A 121 11.008 -1.315 -2.101 1.00 10.00 C ATOM 0 H ALA A 121 11.023 -0.055 -0.135 1.00 10.00 H new ATOM 0 HA ALA A 121 11.479 0.653 -2.786 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.032 -1.727 -3.110 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.974 -1.474 -1.621 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.230 -1.814 -1.523 1.00 10.00 H new ATOM 685 N MET A 122 8.259 0.031 -2.401 1.00 10.00 N ATOM 686 CA MET A 122 6.952 0.501 -2.797 1.00 10.00 C ATOM 687 C MET A 122 6.754 2.005 -2.553 1.00 10.00 C ATOM 688 O MET A 122 6.184 2.636 -3.420 1.00 10.00 O ATOM 689 CB MET A 122 5.844 -0.326 -2.126 1.00 10.00 C ATOM 690 CG MET A 122 5.610 -1.701 -2.767 1.00 10.00 C ATOM 691 SD MET A 122 6.310 -3.110 -1.876 1.00 10.00 S ATOM 692 CE MET A 122 5.607 -4.454 -2.859 1.00 10.00 C ATOM 0 H MET A 122 8.237 -0.746 -1.741 1.00 10.00 H new ATOM 0 HA MET A 122 6.884 0.358 -3.875 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.096 -0.466 -1.075 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.913 0.240 -2.158 1.00 10.00 H new ATOM 0 HG2 MET A 122 4.536 -1.856 -2.869 1.00 10.00 H new ATOM 0 HG3 MET A 122 6.027 -1.688 -3.774 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.934 -5.411 -2.453 1.00 10.00 H new ATOM 0 HE2 MET A 122 4.519 -4.398 -2.826 1.00 10.00 H new ATOM 0 HE3 MET A 122 5.944 -4.364 -3.892 1.00 10.00 H new ATOM 702 N ILE A 123 7.166 2.619 -1.438 1.00 10.00 N ATOM 703 CA ILE A 123 6.920 4.039 -1.172 1.00 10.00 C ATOM 704 C ILE A 123 7.365 4.861 -2.380 1.00 10.00 C ATOM 705 O ILE A 123 6.632 5.736 -2.834 1.00 10.00 O ATOM 706 CB ILE A 123 7.607 4.546 0.121 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.007 3.848 1.348 1.00 10.00 C ATOM 708 CG2 ILE A 123 7.459 6.071 0.263 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.561 4.316 2.700 1.00 10.00 C ATOM 0 H ILE A 123 7.679 2.144 -0.695 1.00 10.00 H new ATOM 0 HA ILE A 123 5.849 4.162 -1.008 1.00 10.00 H new ATOM 0 HB ILE A 123 8.669 4.308 0.055 1.00 10.00 H new ATOM 0 HG12 ILE A 123 5.928 4.002 1.342 1.00 10.00 H new ATOM 0 HG13 ILE A 123 7.177 2.775 1.255 1.00 10.00 H new ATOM 0 HG21 ILE A 123 7.950 6.401 1.179 1.00 10.00 H new ATOM 0 HG22 ILE A 123 7.921 6.563 -0.593 1.00 10.00 H new ATOM 0 HG23 ILE A 123 6.401 6.332 0.304 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.074 3.763 3.504 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.635 4.136 2.735 1.00 10.00 H new ATOM 0 HD13 ILE A 123 7.367 5.382 2.823 1.00 10.00 H new ATOM 721 N ARG A 124 8.568 4.582 -2.893 1.00 10.00 N ATOM 722 CA ARG A 124 9.080 5.318 -4.034 1.00 10.00 C ATOM 723 C ARG A 124 8.464 4.829 -5.348 1.00 10.00 C ATOM 724 O ARG A 124 8.041 5.646 -6.160 1.00 10.00 O ATOM 725 CB ARG A 124 10.611 5.279 -4.086 1.00 10.00 C ATOM 726 CG ARG A 124 11.064 6.557 -4.803 1.00 10.00 C ATOM 727 CD ARG A 124 12.519 6.505 -5.272 1.00 10.00 C ATOM 728 NE ARG A 124 12.883 7.787 -5.896 1.00 10.00 N ATOM 729 CZ ARG A 124 13.145 8.922 -5.227 1.00 10.00 C ATOM 730 NH1 ARG A 124 13.272 8.898 -3.895 1.00 10.00 N ATOM 731 NH2 ARG A 124 13.269 10.077 -5.891 1.00 10.00 N ATOM 0 H ARG A 124 9.193 3.859 -2.535 1.00 10.00 H new ATOM 0 HA ARG A 124 8.782 6.358 -3.905 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.031 5.230 -3.081 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.957 4.394 -4.619 1.00 10.00 H new ATOM 0 HG2 ARG A 124 10.418 6.731 -5.664 1.00 10.00 H new ATOM 0 HG3 ARG A 124 10.936 7.406 -4.132 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.177 6.301 -4.427 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.653 5.691 -5.985 1.00 10.00 H new ATOM 0 HE ARG A 124 12.941 7.816 -6.914 1.00 10.00 H new ATOM 0 HH11 ARG A 124 13.170 8.018 -3.389 1.00 10.00 H new ATOM 0 HH12 ARG A 124 13.471 9.759 -3.386 1.00 10.00 H new ATOM 0 HH21 ARG A 124 13.165 10.096 -6.905 1.00 10.00 H new ATOM 0 HH22 ARG A 124 13.468 10.939 -5.383 1.00 10.00 H new ATOM 745 N GLU A 125 8.456 3.515 -5.594 1.00 10.00 N ATOM 746 CA GLU A 125 7.966 2.970 -6.860 1.00 10.00 C ATOM 747 C GLU A 125 6.489 3.344 -7.072 1.00 10.00 C ATOM 748 O GLU A 125 6.067 3.715 -8.166 1.00 10.00 O ATOM 749 CB GLU A 125 8.205 1.453 -6.879 1.00 10.00 C ATOM 750 CG GLU A 125 9.710 1.131 -6.895 1.00 10.00 C ATOM 751 CD GLU A 125 9.978 -0.360 -6.716 1.00 10.00 C ATOM 752 OE1 GLU A 125 9.897 -1.073 -7.739 1.00 10.00 O ATOM 753 OE2 GLU A 125 10.269 -0.763 -5.570 1.00 10.00 O ATOM 0 H GLU A 125 8.783 2.811 -4.932 1.00 10.00 H new ATOM 0 HA GLU A 125 8.515 3.405 -7.696 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.741 0.997 -6.004 1.00 10.00 H new ATOM 0 HB3 GLU A 125 7.727 1.017 -7.756 1.00 10.00 H new ATOM 0 HG2 GLU A 125 10.142 1.466 -7.838 1.00 10.00 H new ATOM 0 HG3 GLU A 125 10.208 1.687 -6.100 1.00 10.00 H new ATOM 760 N ALA A 126 5.707 3.273 -5.997 1.00 10.00 N ATOM 761 CA ALA A 126 4.298 3.613 -5.922 1.00 10.00 C ATOM 762 C ALA A 126 4.096 5.129 -5.933 1.00 10.00 C ATOM 763 O ALA A 126 3.542 5.683 -4.987 1.00 10.00 O ATOM 764 CB ALA A 126 3.712 3.005 -4.640 1.00 10.00 C ATOM 0 H ALA A 126 6.070 2.955 -5.099 1.00 10.00 H new ATOM 0 HA ALA A 126 3.785 3.208 -6.794 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.653 3.253 -4.571 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.830 1.922 -4.664 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.236 3.408 -3.774 1.00 10.00 H new ATOM 770 N ASP A 127 4.521 5.803 -7.002 1.00 10.00 N ATOM 771 CA ASP A 127 4.305 7.236 -7.158 1.00 10.00 C ATOM 772 C ASP A 127 3.281 7.481 -8.264 1.00 10.00 C ATOM 773 O ASP A 127 3.611 7.392 -9.446 1.00 10.00 O ATOM 774 CB ASP A 127 5.634 7.938 -7.448 1.00 10.00 C ATOM 775 CG ASP A 127 5.467 9.451 -7.490 1.00 10.00 C ATOM 776 OD1 ASP A 127 4.498 9.955 -6.875 1.00 10.00 O ATOM 777 OD2 ASP A 127 6.341 10.102 -8.097 1.00 10.00 O ATOM 0 H ASP A 127 5.022 5.371 -7.779 1.00 10.00 H new ATOM 0 HA ASP A 127 3.908 7.654 -6.233 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.362 7.672 -6.682 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.032 7.588 -8.401 1.00 10.00 H new ATOM 782 N VAL A 128 2.026 7.745 -7.889 1.00 10.00 N ATOM 783 CA VAL A 128 0.970 8.065 -8.841 1.00 10.00 C ATOM 784 C VAL A 128 1.055 9.543 -9.227 1.00 10.00 C ATOM 785 O VAL A 128 0.992 9.866 -10.411 1.00 10.00 O ATOM 786 CB VAL A 128 -0.401 7.656 -8.269 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.576 8.281 -9.030 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.521 6.129 -8.324 1.00 10.00 C ATOM 0 H VAL A 128 1.718 7.742 -6.917 1.00 10.00 H new ATOM 0 HA VAL A 128 1.100 7.493 -9.760 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.452 8.023 -7.244 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.514 7.956 -8.581 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.506 9.368 -8.979 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.544 7.964 -10.073 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.487 5.825 -7.922 1.00 10.00 H new ATOM 0 HG22 VAL A 128 -0.437 5.794 -9.358 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.276 5.680 -7.731 1.00 10.00 H new ATOM 798 N ASP A 129 1.171 10.433 -8.236 1.00 10.00 N ATOM 799 CA ASP A 129 1.202 11.872 -8.467 1.00 10.00 C ATOM 800 C ASP A 129 2.603 12.299 -8.930 1.00 10.00 C ATOM 801 O ASP A 129 2.879 12.300 -10.128 1.00 10.00 O ATOM 802 CB ASP A 129 0.730 12.640 -7.218 1.00 10.00 C ATOM 803 CG ASP A 129 -0.735 12.396 -6.866 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.074 11.228 -6.583 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.474 13.402 -6.798 1.00 10.00 O ATOM 0 H ASP A 129 1.246 10.171 -7.253 1.00 10.00 H new ATOM 0 HA ASP A 129 0.504 12.124 -9.265 1.00 10.00 H new ATOM 0 HB2 ASP A 129 1.351 12.353 -6.369 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.883 13.707 -7.379 1.00 10.00 H new ATOM 810 N GLN A 130 3.472 12.693 -7.990 1.00 10.00 N ATOM 811 CA GLN A 130 4.867 13.066 -8.221 1.00 10.00 C ATOM 812 C GLN A 130 5.567 13.286 -6.867 1.00 10.00 C ATOM 813 O GLN A 130 6.145 14.345 -6.635 1.00 10.00 O ATOM 814 CB GLN A 130 4.973 14.322 -9.110 1.00 10.00 C ATOM 815 CG GLN A 130 6.398 14.481 -9.666 1.00 10.00 C ATOM 816 CD GLN A 130 6.629 15.872 -10.243 1.00 10.00 C ATOM 817 OE1 GLN A 130 7.518 16.599 -9.813 1.00 10.00 O ATOM 818 NE2 GLN A 130 5.835 16.262 -11.235 1.00 10.00 N ATOM 0 H GLN A 130 3.207 12.762 -7.007 1.00 10.00 H new ATOM 0 HA GLN A 130 5.364 12.255 -8.753 1.00 10.00 H new ATOM 0 HB2 GLN A 130 4.263 14.251 -9.934 1.00 10.00 H new ATOM 0 HB3 GLN A 130 4.703 15.206 -8.532 1.00 10.00 H new ATOM 0 HG2 GLN A 130 7.121 14.292 -8.872 1.00 10.00 H new ATOM 0 HG3 GLN A 130 6.572 13.733 -10.440 1.00 10.00 H new ATOM 0 HE21 GLN A 130 5.102 15.640 -11.576 1.00 10.00 H new ATOM 0 HE22 GLN A 130 5.959 17.183 -11.655 1.00 10.00 H new ATOM 827 N ASP A 131 5.495 12.309 -5.963 1.00 10.00 N ATOM 828 CA ASP A 131 6.144 12.344 -4.653 1.00 10.00 C ATOM 829 C ASP A 131 6.271 10.902 -4.163 1.00 10.00 C ATOM 830 O ASP A 131 7.344 10.303 -4.146 1.00 10.00 O ATOM 831 CB ASP A 131 5.297 13.159 -3.646 1.00 10.00 C ATOM 832 CG ASP A 131 5.752 14.598 -3.459 1.00 10.00 C ATOM 833 OD1 ASP A 131 6.958 14.785 -3.187 1.00 10.00 O ATOM 834 OD2 ASP A 131 4.861 15.476 -3.491 1.00 10.00 O ATOM 0 H ASP A 131 4.970 11.450 -6.126 1.00 10.00 H new ATOM 0 HA ASP A 131 7.122 12.819 -4.734 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.259 13.160 -3.980 1.00 10.00 H new ATOM 0 HB3 ASP A 131 5.320 12.655 -2.680 1.00 10.00 H new ATOM 839 N GLY A 132 5.123 10.389 -3.734 1.00 10.00 N ATOM 840 CA GLY A 132 4.893 9.058 -3.203 1.00 10.00 C ATOM 841 C GLY A 132 3.440 8.998 -2.740 1.00 10.00 C ATOM 842 O GLY A 132 3.130 8.440 -1.690 1.00 10.00 O ATOM 0 H GLY A 132 4.264 10.939 -3.752 1.00 10.00 H new ATOM 0 HA2 GLY A 132 5.085 8.302 -3.965 1.00 10.00 H new ATOM 0 HA3 GLY A 132 5.569 8.853 -2.373 1.00 10.00 H new ATOM 846 N ARG A 133 2.551 9.632 -3.511 1.00 10.00 N ATOM 847 CA ARG A 133 1.118 9.583 -3.287 1.00 10.00 C ATOM 848 C ARG A 133 0.603 8.450 -4.150 1.00 10.00 C ATOM 849 O ARG A 133 1.029 8.311 -5.297 1.00 10.00 O ATOM 850 CB ARG A 133 0.441 10.880 -3.730 1.00 10.00 C ATOM 851 CG ARG A 133 0.884 12.091 -2.912 1.00 10.00 C ATOM 852 CD ARG A 133 0.158 13.354 -3.403 1.00 10.00 C ATOM 853 NE ARG A 133 -0.993 13.692 -2.555 1.00 10.00 N ATOM 854 CZ ARG A 133 -0.895 14.255 -1.341 1.00 10.00 C ATOM 855 NH1 ARG A 133 0.315 14.488 -0.821 1.00 10.00 N ATOM 856 NH2 ARG A 133 -1.997 14.584 -0.658 1.00 10.00 N ATOM 0 H ARG A 133 2.818 10.198 -4.316 1.00 10.00 H new ATOM 0 HA ARG A 133 0.904 9.443 -2.227 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.662 11.058 -4.782 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.640 10.767 -3.646 1.00 10.00 H new ATOM 0 HG2 ARG A 133 0.668 11.925 -1.856 1.00 10.00 H new ATOM 0 HG3 ARG A 133 1.962 12.224 -3.000 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.856 14.191 -3.417 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -0.179 13.203 -4.428 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.926 13.486 -2.912 1.00 10.00 H new ATOM 0 HH11 ARG A 133 1.153 14.238 -1.347 1.00 10.00 H new ATOM 0 HH12 ARG A 133 0.400 14.916 0.101 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.918 14.407 -1.060 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -1.917 15.012 0.264 1.00 10.00 H new ATOM 870 N VAL A 134 -0.288 7.640 -3.589 1.00 10.00 N ATOM 871 CA VAL A 134 -0.857 6.501 -4.278 1.00 10.00 C ATOM 872 C VAL A 134 -2.346 6.438 -3.978 1.00 10.00 C ATOM 873 O VAL A 134 -2.734 6.825 -2.883 1.00 10.00 O ATOM 874 CB VAL A 134 -0.156 5.219 -3.805 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.354 4.486 -5.035 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.998 5.441 -2.810 1.00 10.00 C ATOM 0 H VAL A 134 -0.634 7.761 -2.637 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.714 6.599 -5.354 1.00 10.00 H new ATOM 0 HB VAL A 134 -0.893 4.636 -3.253 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.858 3.569 -4.729 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.485 4.239 -5.686 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.056 5.123 -5.573 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.430 4.479 -2.534 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.763 6.063 -3.273 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.618 5.938 -1.917 1.00 10.00 H new ATOM 886 N ASN A 135 -3.164 5.920 -4.900 1.00 10.00 N ATOM 887 CA ASN A 135 -4.561 5.569 -4.642 1.00 10.00 C ATOM 888 C ASN A 135 -4.638 4.058 -4.462 1.00 10.00 C ATOM 889 O ASN A 135 -3.857 3.365 -5.097 1.00 10.00 O ATOM 890 CB ASN A 135 -5.445 5.977 -5.827 1.00 10.00 C ATOM 891 CG ASN A 135 -6.925 5.740 -5.521 1.00 10.00 C ATOM 892 OD1 ASN A 135 -7.310 5.529 -4.374 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.775 5.746 -6.541 1.00 10.00 N ATOM 0 H ASN A 135 -2.869 5.731 -5.858 1.00 10.00 H new ATOM 0 HA ASN A 135 -4.912 6.090 -3.751 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -5.283 7.030 -6.059 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.158 5.408 -6.711 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -8.767 5.573 -6.379 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -7.436 5.923 -7.486 1.00 10.00 H new ATOM 900 N TYR A 136 -5.559 3.539 -3.647 1.00 10.00 N ATOM 901 CA TYR A 136 -5.678 2.100 -3.377 1.00 10.00 C ATOM 902 C TYR A 136 -5.610 1.271 -4.659 1.00 10.00 C ATOM 903 O TYR A 136 -4.726 0.435 -4.834 1.00 10.00 O ATOM 904 CB TYR A 136 -6.957 1.717 -2.629 1.00 10.00 C ATOM 905 CG TYR A 136 -7.208 2.501 -1.376 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.681 3.820 -1.445 1.00 10.00 C ATOM 907 CD2 TYR A 136 -6.787 1.972 -0.152 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.532 4.668 -0.345 1.00 10.00 C ATOM 909 CE2 TYR A 136 -6.649 2.812 0.952 1.00 10.00 C ATOM 910 CZ TYR A 136 -7.007 4.172 0.857 1.00 10.00 C ATOM 911 OH TYR A 136 -6.740 5.044 1.868 1.00 10.00 O ATOM 0 H TYR A 136 -6.248 4.106 -3.152 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.825 1.876 -2.736 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -7.807 1.847 -3.299 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -6.910 0.658 -2.376 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -8.158 4.178 -2.345 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -6.570 0.918 -0.062 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.821 5.706 -0.420 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -6.267 2.420 1.883 1.00 10.00 H new ATOM 0 HH TYR A 136 -6.533 5.926 1.493 1.00 10.00 H new ATOM 921 N GLU A 137 -6.589 1.493 -5.536 1.00 10.00 N ATOM 922 CA GLU A 137 -6.834 0.627 -6.673 1.00 10.00 C ATOM 923 C GLU A 137 -5.681 0.751 -7.676 1.00 10.00 C ATOM 924 O GLU A 137 -5.050 -0.246 -8.031 1.00 10.00 O ATOM 925 CB GLU A 137 -8.231 0.945 -7.230 1.00 10.00 C ATOM 926 CG GLU A 137 -8.723 -0.063 -8.282 1.00 10.00 C ATOM 927 CD GLU A 137 -8.293 0.261 -9.711 1.00 10.00 C ATOM 928 OE1 GLU A 137 -7.635 1.308 -9.897 1.00 10.00 O ATOM 929 OE2 GLU A 137 -8.648 -0.543 -10.597 1.00 10.00 O ATOM 0 H GLU A 137 -7.232 2.282 -5.472 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.848 -0.427 -6.396 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.943 0.972 -6.405 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.218 1.941 -7.673 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -8.353 -1.054 -8.019 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.811 -0.108 -8.244 1.00 10.00 H new ATOM 936 N GLU A 138 -5.344 1.984 -8.063 1.00 10.00 N ATOM 937 CA GLU A 138 -4.258 2.225 -9.002 1.00 10.00 C ATOM 938 C GLU A 138 -2.942 1.704 -8.409 1.00 10.00 C ATOM 939 O GLU A 138 -2.221 0.951 -9.057 1.00 10.00 O ATOM 940 CB GLU A 138 -4.207 3.710 -9.400 1.00 10.00 C ATOM 941 CG GLU A 138 -3.744 3.894 -10.854 1.00 10.00 C ATOM 942 CD GLU A 138 -2.346 3.343 -11.109 1.00 10.00 C ATOM 943 OE1 GLU A 138 -1.453 3.651 -10.297 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.198 2.637 -12.133 1.00 10.00 O ATOM 0 H GLU A 138 -5.812 2.829 -7.737 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.431 1.674 -9.927 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.194 4.155 -9.274 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.530 4.243 -8.732 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -4.451 3.399 -11.520 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.761 4.955 -11.103 1.00 10.00 H new ATOM 951 N PHE A 139 -2.664 2.015 -7.137 1.00 10.00 N ATOM 952 CA PHE A 139 -1.516 1.449 -6.440 1.00 10.00 C ATOM 953 C PHE A 139 -1.494 -0.051 -6.606 1.00 10.00 C ATOM 954 O PHE A 139 -0.467 -0.626 -6.943 1.00 10.00 O ATOM 955 CB PHE A 139 -1.517 1.732 -4.934 1.00 10.00 C ATOM 956 CG PHE A 139 -0.377 1.073 -4.169 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.888 0.864 -4.765 1.00 10.00 C ATOM 958 CD2 PHE A 139 -0.627 0.551 -2.891 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.862 0.086 -4.118 1.00 10.00 C ATOM 960 CE2 PHE A 139 0.373 -0.171 -2.225 1.00 10.00 C ATOM 961 CZ PHE A 139 1.611 -0.417 -2.834 1.00 10.00 C ATOM 0 H PHE A 139 -3.222 2.657 -6.574 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.642 1.924 -6.886 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.467 2.810 -4.779 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.464 1.393 -4.514 1.00 10.00 H new ATOM 0 HD1 PHE A 139 1.107 1.306 -5.726 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -1.587 0.705 -2.422 1.00 10.00 H new ATOM 0 HE1 PHE A 139 2.801 -0.124 -4.608 1.00 10.00 H new ATOM 0 HE2 PHE A 139 0.187 -0.543 -1.228 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.367 -0.990 -2.317 1.00 10.00 H new ATOM 971 N ALA A 140 -2.627 -0.693 -6.360 1.00 10.00 N ATOM 972 CA ALA A 140 -2.694 -2.129 -6.425 1.00 10.00 C ATOM 973 C ALA A 140 -2.337 -2.659 -7.828 1.00 10.00 C ATOM 974 O ALA A 140 -1.897 -3.797 -7.967 1.00 10.00 O ATOM 975 CB ALA A 140 -4.048 -2.573 -5.885 1.00 10.00 C ATOM 0 H ALA A 140 -3.505 -0.236 -6.115 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.933 -2.581 -5.789 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.118 -3.660 -5.926 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.154 -2.242 -4.852 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.842 -2.135 -6.490 1.00 10.00 H new ATOM 981 N ARG A 141 -2.447 -1.823 -8.866 1.00 10.00 N ATOM 982 CA ARG A 141 -1.843 -2.092 -10.169 1.00 10.00 C ATOM 983 C ARG A 141 -0.307 -2.094 -10.065 1.00 10.00 C ATOM 984 O ARG A 141 0.342 -3.068 -10.447 1.00 10.00 O ATOM 985 CB ARG A 141 -2.368 -1.078 -11.205 1.00 10.00 C ATOM 986 CG ARG A 141 -2.221 -1.563 -12.652 1.00 10.00 C ATOM 987 CD ARG A 141 -3.219 -0.862 -13.584 1.00 10.00 C ATOM 988 NE ARG A 141 -3.052 0.604 -13.611 1.00 10.00 N ATOM 989 CZ ARG A 141 -3.535 1.422 -14.560 1.00 10.00 C ATOM 990 NH1 ARG A 141 -4.259 0.932 -15.572 1.00 10.00 N ATOM 991 NH2 ARG A 141 -3.282 2.728 -14.485 1.00 10.00 N ATOM 0 H ARG A 141 -2.958 -0.941 -8.823 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.132 -3.087 -10.509 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.419 -0.872 -11.002 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.831 -0.137 -11.088 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -1.205 -1.375 -12.998 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -2.378 -2.641 -12.693 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.101 -1.254 -14.594 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -4.234 -1.101 -13.266 1.00 10.00 H new ATOM 0 HE ARG A 141 -2.527 1.030 -12.847 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -4.447 -0.069 -15.626 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -4.623 1.559 -16.289 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -2.727 3.096 -13.713 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -3.643 3.359 -15.200 1.00 10.00 H new ATOM 1005 N MET A 142 0.286 -1.017 -9.539 1.00 10.00 N ATOM 1006 CA MET A 142 1.737 -0.899 -9.392 1.00 10.00 C ATOM 1007 C MET A 142 2.333 -1.937 -8.431 1.00 10.00 C ATOM 1008 O MET A 142 3.473 -2.339 -8.633 1.00 10.00 O ATOM 1009 CB MET A 142 2.150 0.505 -8.936 1.00 10.00 C ATOM 1010 CG MET A 142 1.888 1.603 -9.973 1.00 10.00 C ATOM 1011 SD MET A 142 2.561 3.214 -9.483 1.00 10.00 S ATOM 1012 CE MET A 142 2.235 4.173 -10.976 1.00 10.00 C ATOM 0 H MET A 142 -0.229 -0.203 -9.203 1.00 10.00 H new ATOM 0 HA MET A 142 2.140 -1.091 -10.386 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.613 0.750 -8.020 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.212 0.498 -8.691 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.326 1.307 -10.926 1.00 10.00 H new ATOM 0 HG3 MET A 142 0.814 1.697 -10.131 1.00 10.00 H new ATOM 0 HE1 MET A 142 2.591 5.194 -10.838 1.00 10.00 H new ATOM 0 HE2 MET A 142 2.753 3.719 -11.821 1.00 10.00 H new ATOM 0 HE3 MET A 142 1.163 4.186 -11.173 1.00 10.00 H new ATOM 1022 N LEU A 143 1.599 -2.360 -7.394 1.00 10.00 N ATOM 1023 CA LEU A 143 2.024 -3.375 -6.426 1.00 10.00 C ATOM 1024 C LEU A 143 2.697 -4.545 -7.149 1.00 10.00 C ATOM 1025 O LEU A 143 3.765 -5.005 -6.757 1.00 10.00 O ATOM 1026 CB LEU A 143 0.861 -3.749 -5.497 1.00 10.00 C ATOM 1027 CG LEU A 143 0.154 -5.064 -5.827 1.00 10.00 C ATOM 1028 CD1 LEU A 143 1.070 -6.228 -5.425 1.00 10.00 C ATOM 1029 CD2 LEU A 143 -1.141 -5.039 -5.028 1.00 10.00 C ATOM 0 H LEU A 143 0.667 -1.994 -7.201 1.00 10.00 H new ATOM 0 HA LEU A 143 2.791 -2.978 -5.761 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.238 -3.805 -4.476 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.126 -2.945 -5.522 1.00 10.00 H new ATOM 0 HG LEU A 143 -0.066 -5.189 -6.887 1.00 10.00 H new ATOM 0 HD11 LEU A 143 0.579 -7.174 -5.655 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.007 -6.162 -5.979 1.00 10.00 H new ATOM 0 HD13 LEU A 143 1.276 -6.176 -4.356 1.00 10.00 H new ATOM 0 HD21 LEU A 143 -1.702 -5.954 -5.216 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.911 -4.966 -3.965 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -1.738 -4.179 -5.330 1.00 10.00 H new ATOM 1041 N ALA A 144 2.036 -5.015 -8.207 1.00 10.00 N ATOM 1042 CA ALA A 144 2.512 -6.096 -9.054 1.00 10.00 C ATOM 1043 C ALA A 144 3.812 -5.713 -9.766 1.00 10.00 C ATOM 1044 O ALA A 144 4.800 -6.430 -9.648 1.00 10.00 O ATOM 1045 CB ALA A 144 1.421 -6.476 -10.060 1.00 10.00 C ATOM 0 H ALA A 144 1.133 -4.642 -8.501 1.00 10.00 H new ATOM 0 HA ALA A 144 2.733 -6.961 -8.429 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.778 -7.287 -10.695 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.529 -6.801 -9.524 1.00 10.00 H new ATOM 0 HB3 ALA A 144 1.178 -5.611 -10.678 1.00 10.00 H new