USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-3.5!) USER MOD Single : A 28 THR OG1 : rot -13:sc= 0.185 USER MOD Single : A 30 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.6) USER MOD Single : A 32 SER OG : rot 91:sc= -0.307 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.73! C(o=-7.7!,f=-14!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 8:sc= 0.37 USER MOD Single : A 57 GLN : amide:sc= -4.05! C(o=-4.1!,f=-8.2!) USER MOD Single : A 74 TYR OH : rot 85:sc= 1.16 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.76 X(o=-0.76,f=-0.96) USER MOD Single : A 80 SER OG : rot 130:sc= -0.0415 USER MOD Single : A 87 SER OG : rot -176:sc= 0.554 USER MOD Single : A 96 THR OG1 : rot 171:sc= 0 USER MOD Single : A 98 THR OG1 : rot 36:sc= 0.203 USER MOD Single : A 99 SER OG : rot -56:sc= 0.0313 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 4.695 -17.546 -0.735 1.00 0.00 N ATOM 81 CA LEU A 9 5.732 -16.701 -0.152 1.00 0.00 C ATOM 82 C LEU A 9 5.175 -15.873 1.002 1.00 0.00 C ATOM 83 O LEU A 9 3.978 -15.594 1.077 1.00 0.00 O ATOM 84 CB LEU A 9 6.323 -15.777 -1.218 1.00 0.00 C ATOM 85 CG LEU A 9 5.322 -14.918 -1.992 1.00 0.00 C ATOM 86 CD1 LEU A 9 5.967 -13.614 -2.434 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.781 -15.682 -3.193 1.00 0.00 C ATOM 0 HA LEU A 9 6.518 -17.349 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.044 -15.115 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.877 -16.387 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 9 4.488 -14.681 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.240 -13.016 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.305 -13.060 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.820 -13.830 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.070 -15.056 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.604 -15.949 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.281 -16.588 -2.852 1.00 0.00 H new ATOM 99 N PRO A 10 6.062 -15.469 1.923 1.00 0.00 N ATOM 100 CA PRO A 10 5.683 -14.665 3.088 1.00 0.00 C ATOM 101 C PRO A 10 5.284 -13.244 2.707 1.00 0.00 C ATOM 102 O PRO A 10 6.112 -12.429 2.299 1.00 0.00 O ATOM 103 CB PRO A 10 6.955 -14.653 3.940 1.00 0.00 C ATOM 104 CG PRO A 10 8.063 -14.871 2.969 1.00 0.00 C ATOM 105 CD PRO A 10 7.504 -15.765 1.897 1.00 0.00 C ATOM 0 HA PRO A 10 4.814 -15.076 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.070 -13.705 4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.932 -15.437 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.406 -13.925 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.922 -15.334 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.942 -15.546 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.702 -16.816 2.107 1.00 0.00 H new ATOM 113 N PRO A 11 3.985 -12.936 2.842 1.00 0.00 N ATOM 114 CA PRO A 11 3.447 -11.612 2.518 1.00 0.00 C ATOM 115 C PRO A 11 3.904 -10.543 3.505 1.00 0.00 C ATOM 116 O PRO A 11 4.490 -10.836 4.548 1.00 0.00 O ATOM 117 CB PRO A 11 1.932 -11.812 2.610 1.00 0.00 C ATOM 118 CG PRO A 11 1.758 -12.958 3.545 1.00 0.00 C ATOM 119 CD PRO A 11 2.942 -13.858 3.323 1.00 0.00 C ATOM 0 HA PRO A 11 3.786 -11.262 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.436 -10.916 2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.501 -12.029 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.717 -12.615 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.825 -13.485 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.243 -14.361 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.724 -14.636 2.591 1.00 0.00 H new ATOM 127 N PRO A 12 3.630 -9.273 3.172 1.00 0.00 N ATOM 128 CA PRO A 12 4.004 -8.135 4.017 1.00 0.00 C ATOM 129 C PRO A 12 3.188 -8.076 5.304 1.00 0.00 C ATOM 130 O PRO A 12 1.963 -7.963 5.268 1.00 0.00 O ATOM 131 CB PRO A 12 3.698 -6.922 3.134 1.00 0.00 C ATOM 132 CG PRO A 12 2.646 -7.395 2.192 1.00 0.00 C ATOM 133 CD PRO A 12 2.935 -8.850 1.945 1.00 0.00 C ATOM 0 HA PRO A 12 5.043 -8.192 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.347 -6.078 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.587 -6.587 2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.652 -7.262 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.672 -6.828 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.020 -9.420 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.557 -8.992 1.061 1.00 0.00 H new ATOM 141 N ARG A 13 3.875 -8.153 6.439 1.00 0.00 N ATOM 142 CA ARG A 13 3.213 -8.109 7.737 1.00 0.00 C ATOM 143 C ARG A 13 3.552 -6.818 8.477 1.00 0.00 C ATOM 144 O ARG A 13 2.690 -6.208 9.109 1.00 0.00 O ATOM 145 CB ARG A 13 3.622 -9.316 8.583 1.00 0.00 C ATOM 146 CG ARG A 13 5.074 -9.726 8.398 1.00 0.00 C ATOM 147 CD ARG A 13 5.589 -10.509 9.595 1.00 0.00 C ATOM 148 NE ARG A 13 5.376 -11.946 9.442 1.00 0.00 N ATOM 149 CZ ARG A 13 6.201 -12.744 8.775 1.00 0.00 C ATOM 150 NH1 ARG A 13 7.290 -12.249 8.203 1.00 0.00 N ATOM 151 NH2 ARG A 13 5.939 -14.042 8.680 1.00 0.00 N ATOM 0 H ARG A 13 4.890 -8.246 6.486 1.00 0.00 H new ATOM 0 HA ARG A 13 2.136 -8.139 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.449 -9.087 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.980 -10.160 8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.170 -10.332 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.688 -8.837 8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.653 -10.312 9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.087 -10.162 10.498 1.00 0.00 H new ATOM 0 HE ARG A 13 4.548 -12.359 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.496 -11.253 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.922 -12.865 7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.103 -14.427 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.574 -14.654 8.167 1.00 0.00 H new ATOM 165 N ALA A 14 4.814 -6.408 8.393 1.00 0.00 N ATOM 166 CA ALA A 14 5.266 -5.190 9.053 1.00 0.00 C ATOM 167 C ALA A 14 4.906 -3.955 8.234 1.00 0.00 C ATOM 168 O ALA A 14 5.782 -3.192 7.823 1.00 0.00 O ATOM 169 CB ALA A 14 6.768 -5.246 9.294 1.00 0.00 C ATOM 0 H ALA A 14 5.541 -6.902 7.875 1.00 0.00 H new ATOM 0 HA ALA A 14 4.757 -5.117 10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.092 -4.330 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.003 -6.102 9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.286 -5.347 8.340 1.00 0.00 H new ATOM 175 N LEU A 15 3.613 -3.764 7.997 1.00 0.00 N ATOM 176 CA LEU A 15 3.137 -2.622 7.225 1.00 0.00 C ATOM 177 C LEU A 15 3.050 -1.373 8.097 1.00 0.00 C ATOM 178 O LEU A 15 2.169 -1.257 8.950 1.00 0.00 O ATOM 179 CB LEU A 15 1.767 -2.928 6.617 1.00 0.00 C ATOM 180 CG LEU A 15 1.778 -3.633 5.260 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.778 -5.143 5.443 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.586 -3.196 4.421 1.00 0.00 C ATOM 0 H LEU A 15 2.875 -4.386 8.329 1.00 0.00 H new ATOM 0 HA LEU A 15 3.851 -2.434 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.209 -3.546 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.220 -1.991 6.513 1.00 0.00 H new ATOM 0 HG LEU A 15 2.690 -3.351 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.786 -5.628 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.664 -5.442 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.884 -5.443 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.611 -3.708 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.338 -3.448 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.630 -2.119 4.260 1.00 0.00 H new ATOM 194 N THR A 16 3.970 -0.439 7.877 1.00 0.00 N ATOM 195 CA THR A 16 3.998 0.801 8.641 1.00 0.00 C ATOM 196 C THR A 16 3.976 2.015 7.720 1.00 0.00 C ATOM 197 O THR A 16 4.693 2.062 6.720 1.00 0.00 O ATOM 198 CB THR A 16 5.245 0.878 9.543 1.00 0.00 C ATOM 199 OG1 THR A 16 5.315 -0.281 10.381 1.00 0.00 O ATOM 200 CG2 THR A 16 5.213 2.132 10.404 1.00 0.00 C ATOM 0 H THR A 16 4.706 -0.518 7.175 1.00 0.00 H new ATOM 0 HA THR A 16 3.105 0.806 9.266 1.00 0.00 H new ATOM 0 HB THR A 16 6.127 0.918 8.904 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.111 -0.226 10.950 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.103 2.165 11.032 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.189 3.013 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.324 2.118 11.035 1.00 0.00 H new ATOM 208 N LEU A 17 3.150 2.997 8.063 1.00 0.00 N ATOM 209 CA LEU A 17 3.035 4.214 7.266 1.00 0.00 C ATOM 210 C LEU A 17 4.249 5.115 7.470 1.00 0.00 C ATOM 211 O LEU A 17 4.570 5.495 8.595 1.00 0.00 O ATOM 212 CB LEU A 17 1.757 4.970 7.634 1.00 0.00 C ATOM 213 CG LEU A 17 1.204 5.914 6.566 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.350 5.148 5.567 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.400 7.035 7.209 1.00 0.00 C ATOM 0 H LEU A 17 2.550 2.975 8.887 1.00 0.00 H new ATOM 0 HA LEU A 17 2.990 3.928 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.985 4.240 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.949 5.549 8.538 1.00 0.00 H new ATOM 0 HG LEU A 17 2.044 6.357 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.035 5.836 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.956 4.382 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.483 4.676 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.014 7.697 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.432 6.610 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.041 7.602 7.884 1.00 0.00 H new ATOM 227 N ALA A 18 4.918 5.454 6.373 1.00 0.00 N ATOM 228 CA ALA A 18 6.094 6.314 6.431 1.00 0.00 C ATOM 229 C ALA A 18 5.712 7.740 6.814 1.00 0.00 C ATOM 230 O ALA A 18 6.344 8.351 7.675 1.00 0.00 O ATOM 231 CB ALA A 18 6.823 6.302 5.096 1.00 0.00 C ATOM 0 H ALA A 18 4.666 5.146 5.434 1.00 0.00 H new ATOM 0 HA ALA A 18 6.761 5.925 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.699 6.948 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.137 5.285 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.156 6.664 4.314 1.00 0.00 H new ATOM 237 N ALA A 19 4.676 8.264 6.168 1.00 0.00 N ATOM 238 CA ALA A 19 4.210 9.618 6.442 1.00 0.00 C ATOM 239 C ALA A 19 2.772 9.810 5.973 1.00 0.00 C ATOM 240 O ALA A 19 2.316 9.138 5.048 1.00 0.00 O ATOM 241 CB ALA A 19 5.125 10.636 5.777 1.00 0.00 C ATOM 0 H ALA A 19 4.143 7.772 5.451 1.00 0.00 H new ATOM 0 HA ALA A 19 4.236 9.773 7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.765 11.643 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.137 10.523 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.129 10.473 4.699 1.00 0.00 H new ATOM 247 N VAL A 20 2.062 10.730 6.618 1.00 0.00 N ATOM 248 CA VAL A 20 0.675 11.010 6.266 1.00 0.00 C ATOM 249 C VAL A 20 0.521 12.426 5.722 1.00 0.00 C ATOM 250 O VAL A 20 0.619 13.403 6.465 1.00 0.00 O ATOM 251 CB VAL A 20 -0.258 10.833 7.479 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.155 11.761 8.611 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.705 11.079 7.078 1.00 0.00 C ATOM 0 H VAL A 20 2.424 11.294 7.387 1.00 0.00 H new ATOM 0 HA VAL A 20 0.394 10.295 5.493 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.173 9.806 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.516 11.622 9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.176 11.532 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.101 12.795 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.350 10.950 7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.809 12.095 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.994 10.369 6.303 1.00 0.00 H new ATOM 263 N THR A 21 0.278 12.530 4.419 1.00 0.00 N ATOM 264 CA THR A 21 0.111 13.826 3.775 1.00 0.00 C ATOM 265 C THR A 21 -1.239 13.921 3.072 1.00 0.00 C ATOM 266 O THR A 21 -1.690 12.983 2.414 1.00 0.00 O ATOM 267 CB THR A 21 1.230 14.093 2.751 1.00 0.00 C ATOM 268 OG1 THR A 21 2.430 13.422 3.150 1.00 0.00 O ATOM 269 CG2 THR A 21 1.498 15.585 2.618 1.00 0.00 C ATOM 0 H THR A 21 0.193 11.732 3.790 1.00 0.00 H new ATOM 0 HA THR A 21 0.162 14.579 4.562 1.00 0.00 H new ATOM 0 HB THR A 21 0.905 13.711 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.136 13.596 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.292 15.749 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.591 16.089 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.803 15.987 3.584 1.00 0.00 H new ATOM 277 N PRO A 22 -1.900 15.080 3.211 1.00 0.00 N ATOM 278 CA PRO A 22 -3.207 15.325 2.595 1.00 0.00 C ATOM 279 C PRO A 22 -3.119 15.444 1.077 1.00 0.00 C ATOM 280 O PRO A 22 -4.128 15.647 0.402 1.00 0.00 O ATOM 281 CB PRO A 22 -3.646 16.655 3.211 1.00 0.00 C ATOM 282 CG PRO A 22 -2.376 17.335 3.590 1.00 0.00 C ATOM 283 CD PRO A 22 -1.421 16.241 3.980 1.00 0.00 C ATOM 0 HA PRO A 22 -3.903 14.506 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.217 17.251 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.285 16.497 4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.982 17.918 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.536 18.027 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.392 16.496 3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.445 16.050 5.053 1.00 0.00 H new ATOM 291 N ARG A 23 -1.907 15.316 0.547 1.00 0.00 N ATOM 292 CA ARG A 23 -1.689 15.411 -0.891 1.00 0.00 C ATOM 293 C ARG A 23 -0.990 14.161 -1.418 1.00 0.00 C ATOM 294 O ARG A 23 -1.011 13.883 -2.618 1.00 0.00 O ATOM 295 CB ARG A 23 -0.856 16.651 -1.221 1.00 0.00 C ATOM 296 CG ARG A 23 0.141 17.022 -0.136 1.00 0.00 C ATOM 297 CD ARG A 23 0.953 18.249 -0.521 1.00 0.00 C ATOM 298 NE ARG A 23 2.085 18.460 0.377 1.00 0.00 N ATOM 299 CZ ARG A 23 2.865 19.534 0.337 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.636 20.491 -0.553 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.877 19.654 1.187 1.00 0.00 N ATOM 0 H ARG A 23 -1.062 15.146 1.092 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.661 15.495 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.318 16.479 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.526 17.494 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.389 17.213 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.812 16.182 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.317 18.137 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.310 19.129 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 23 2.288 17.743 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.859 20.403 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.236 21.315 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.057 18.921 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.475 20.480 1.155 1.00 0.00 H new ATOM 315 N THR A 24 -0.370 13.410 -0.513 1.00 0.00 N ATOM 316 CA THR A 24 0.337 12.191 -0.886 1.00 0.00 C ATOM 317 C THR A 24 0.343 11.186 0.260 1.00 0.00 C ATOM 318 O THR A 24 0.217 11.559 1.426 1.00 0.00 O ATOM 319 CB THR A 24 1.790 12.488 -1.300 1.00 0.00 C ATOM 320 OG1 THR A 24 2.509 13.050 -0.196 1.00 0.00 O ATOM 321 CG2 THR A 24 1.832 13.448 -2.480 1.00 0.00 C ATOM 0 H THR A 24 -0.343 13.625 0.484 1.00 0.00 H new ATOM 0 HA THR A 24 -0.196 11.765 -1.736 1.00 0.00 H new ATOM 0 HB THR A 24 2.258 11.550 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.433 13.234 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.869 13.643 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.309 13.005 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.348 14.385 -2.204 1.00 0.00 H new ATOM 329 N VAL A 25 0.490 9.909 -0.079 1.00 0.00 N ATOM 330 CA VAL A 25 0.514 8.850 0.922 1.00 0.00 C ATOM 331 C VAL A 25 1.710 7.927 0.717 1.00 0.00 C ATOM 332 O VAL A 25 1.914 7.390 -0.372 1.00 0.00 O ATOM 333 CB VAL A 25 -0.779 8.013 0.886 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.679 6.834 1.841 1.00 0.00 C ATOM 335 CG2 VAL A 25 -1.984 8.880 1.219 1.00 0.00 C ATOM 0 H VAL A 25 0.594 9.583 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 25 0.596 9.336 1.894 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.910 7.621 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.601 6.255 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.160 6.201 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.523 7.200 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.889 8.273 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.864 9.303 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.064 9.687 0.490 1.00 0.00 H new ATOM 345 N HIS A 26 2.498 7.745 1.772 1.00 0.00 N ATOM 346 CA HIS A 26 3.675 6.885 1.709 1.00 0.00 C ATOM 347 C HIS A 26 3.490 5.647 2.580 1.00 0.00 C ATOM 348 O HIS A 26 2.887 5.714 3.652 1.00 0.00 O ATOM 349 CB HIS A 26 4.919 7.654 2.152 1.00 0.00 C ATOM 350 CG HIS A 26 6.204 6.992 1.760 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.412 7.278 2.360 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.465 6.051 0.823 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.361 6.543 1.808 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.812 5.789 0.872 1.00 0.00 N ATOM 0 H HIS A 26 2.343 8.181 2.681 1.00 0.00 H new ATOM 0 HA HIS A 26 3.805 6.564 0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.890 8.655 1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.896 7.772 3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.747 5.591 0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.407 6.556 2.076 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.308 5.121 0.282 1.00 0.00 H new ATOM 363 N LEU A 27 4.011 4.518 2.113 1.00 0.00 N ATOM 364 CA LEU A 27 3.903 3.263 2.850 1.00 0.00 C ATOM 365 C LEU A 27 5.172 2.431 2.697 1.00 0.00 C ATOM 366 O LEU A 27 5.884 2.541 1.698 1.00 0.00 O ATOM 367 CB LEU A 27 2.694 2.464 2.361 1.00 0.00 C ATOM 368 CG LEU A 27 2.141 1.421 3.333 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.410 2.097 4.482 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.219 0.452 2.608 1.00 0.00 C ATOM 0 H LEU A 27 4.512 4.445 1.228 1.00 0.00 H new ATOM 0 HA LEU A 27 3.771 3.500 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.895 3.164 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.968 1.959 1.435 1.00 0.00 H new ATOM 0 HG LEU A 27 2.978 0.856 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.023 1.339 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.099 2.749 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.582 2.688 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.835 -0.283 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.387 1.002 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.774 -0.058 1.820 1.00 0.00 H new ATOM 382 N THR A 28 5.450 1.595 3.693 1.00 0.00 N ATOM 383 CA THR A 28 6.632 0.743 3.669 1.00 0.00 C ATOM 384 C THR A 28 6.382 -0.564 4.412 1.00 0.00 C ATOM 385 O THR A 28 5.852 -0.566 5.523 1.00 0.00 O ATOM 386 CB THR A 28 7.848 1.452 4.295 1.00 0.00 C ATOM 387 OG1 THR A 28 7.573 1.782 5.661 1.00 0.00 O ATOM 388 CG2 THR A 28 8.195 2.716 3.522 1.00 0.00 C ATOM 0 H THR A 28 4.872 1.490 4.527 1.00 0.00 H new ATOM 0 HA THR A 28 6.846 0.528 2.622 1.00 0.00 H new ATOM 0 HB THR A 28 8.699 0.773 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.616 1.670 5.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.057 3.199 3.983 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.433 2.458 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.345 3.398 3.539 1.00 0.00 H new ATOM 396 N TRP A 29 6.769 -1.674 3.793 1.00 0.00 N ATOM 397 CA TRP A 29 6.587 -2.989 4.397 1.00 0.00 C ATOM 398 C TRP A 29 7.862 -3.819 4.289 1.00 0.00 C ATOM 399 O TRP A 29 8.853 -3.375 3.709 1.00 0.00 O ATOM 400 CB TRP A 29 5.426 -3.725 3.727 1.00 0.00 C ATOM 401 CG TRP A 29 5.568 -3.828 2.239 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.228 -4.801 1.544 1.00 0.00 C ATOM 403 CD2 TRP A 29 5.039 -2.924 1.263 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.142 -4.556 0.195 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.417 -3.411 -0.004 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.282 -1.751 1.335 1.00 0.00 C ATOM 407 CZ2 TRP A 29 5.063 -2.765 -1.185 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.932 -1.111 0.162 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.322 -1.619 -1.085 1.00 0.00 C ATOM 0 H TRP A 29 7.211 -1.690 2.874 1.00 0.00 H new ATOM 0 HA TRP A 29 6.356 -2.847 5.453 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.350 -4.728 4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.495 -3.209 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.742 -5.640 1.990 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.552 -5.133 -0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.976 -1.352 2.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.363 -3.155 -2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.348 -0.204 0.206 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.032 -1.096 -1.984 1.00 0.00 H new ATOM 420 N GLN A 30 7.828 -5.024 4.848 1.00 0.00 N ATOM 421 CA GLN A 30 8.982 -5.914 4.814 1.00 0.00 C ATOM 422 C GLN A 30 9.071 -6.637 3.473 1.00 0.00 C ATOM 423 O GLN A 30 8.084 -7.158 2.954 1.00 0.00 O ATOM 424 CB GLN A 30 8.900 -6.934 5.951 1.00 0.00 C ATOM 425 CG GLN A 30 9.559 -6.463 7.238 1.00 0.00 C ATOM 426 CD GLN A 30 10.921 -5.839 7.002 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.936 -6.535 6.954 1.00 0.00 O ATOM 428 NE2 GLN A 30 10.949 -4.520 6.851 1.00 0.00 N ATOM 0 H GLN A 30 7.014 -5.406 5.330 1.00 0.00 H new ATOM 0 HA GLN A 30 9.880 -5.309 4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.853 -7.160 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.371 -7.863 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.911 -5.737 7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.664 -7.308 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.083 -3.983 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.836 -4.044 6.688 1.00 0.00 H new ATOM 437 N PRO A 31 10.283 -6.669 2.898 1.00 0.00 N ATOM 438 CA PRO A 31 10.530 -7.325 1.611 1.00 0.00 C ATOM 439 C PRO A 31 10.426 -8.843 1.704 1.00 0.00 C ATOM 440 O PRO A 31 10.864 -9.446 2.684 1.00 0.00 O ATOM 441 CB PRO A 31 11.963 -6.908 1.270 1.00 0.00 C ATOM 442 CG PRO A 31 12.597 -6.619 2.587 1.00 0.00 C ATOM 443 CD PRO A 31 11.504 -6.069 3.461 1.00 0.00 C ATOM 0 HA PRO A 31 9.796 -7.036 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.491 -7.702 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.977 -6.031 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.026 -7.523 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.410 -5.900 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.645 -6.349 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.470 -4.980 3.425 1.00 0.00 H new ATOM 451 N SER A 32 9.843 -9.456 0.678 1.00 0.00 N ATOM 452 CA SER A 32 9.678 -10.905 0.647 1.00 0.00 C ATOM 453 C SER A 32 10.948 -11.585 0.145 1.00 0.00 C ATOM 454 O SER A 32 11.802 -10.951 -0.474 1.00 0.00 O ATOM 455 CB SER A 32 8.495 -11.285 -0.246 1.00 0.00 C ATOM 456 OG SER A 32 8.262 -12.682 -0.215 1.00 0.00 O ATOM 0 H SER A 32 9.477 -8.972 -0.142 1.00 0.00 H new ATOM 0 HA SER A 32 9.481 -11.246 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.601 -10.756 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.692 -10.968 -1.270 1.00 0.00 H new ATOM 0 HG SER A 32 7.618 -12.891 0.493 1.00 0.00 H new ATOM 462 N ALA A 33 11.064 -12.881 0.416 1.00 0.00 N ATOM 463 CA ALA A 33 12.227 -13.649 -0.010 1.00 0.00 C ATOM 464 C ALA A 33 11.905 -14.503 -1.231 1.00 0.00 C ATOM 465 O ALA A 33 11.587 -15.686 -1.107 1.00 0.00 O ATOM 466 CB ALA A 33 12.729 -14.523 1.131 1.00 0.00 C ATOM 0 H ALA A 33 10.367 -13.421 0.929 1.00 0.00 H new ATOM 0 HA ALA A 33 13.013 -12.947 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.598 -15.091 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.008 -13.893 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.941 -15.211 1.436 1.00 0.00 H new ATOM 472 N GLY A 34 11.988 -13.896 -2.411 1.00 0.00 N ATOM 473 CA GLY A 34 11.701 -14.617 -3.637 1.00 0.00 C ATOM 474 C GLY A 34 10.926 -13.778 -4.635 1.00 0.00 C ATOM 475 O GLY A 34 11.264 -13.739 -5.817 1.00 0.00 O ATOM 0 H GLY A 34 12.249 -12.918 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.637 -14.943 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.130 -15.515 -3.402 1.00 0.00 H new ATOM 479 N ALA A 35 9.883 -13.107 -4.157 1.00 0.00 N ATOM 480 CA ALA A 35 9.058 -12.266 -5.015 1.00 0.00 C ATOM 481 C ALA A 35 9.903 -11.218 -5.732 1.00 0.00 C ATOM 482 O ALA A 35 10.618 -10.442 -5.098 1.00 0.00 O ATOM 483 CB ALA A 35 7.962 -11.595 -4.201 1.00 0.00 C ATOM 0 H ALA A 35 9.590 -13.130 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 35 8.597 -12.903 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.354 -10.970 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.333 -12.357 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.412 -10.977 -3.424 1.00 0.00 H new ATOM 489 N THR A 36 9.817 -11.202 -7.059 1.00 0.00 N ATOM 490 CA THR A 36 10.575 -10.251 -7.862 1.00 0.00 C ATOM 491 C THR A 36 9.836 -8.923 -7.985 1.00 0.00 C ATOM 492 O THR A 36 10.455 -7.860 -8.049 1.00 0.00 O ATOM 493 CB THR A 36 10.853 -10.803 -9.273 1.00 0.00 C ATOM 494 OG1 THR A 36 11.369 -9.765 -10.113 1.00 0.00 O ATOM 495 CG2 THR A 36 9.586 -11.378 -9.888 1.00 0.00 C ATOM 0 H THR A 36 9.230 -11.837 -7.600 1.00 0.00 H new ATOM 0 HA THR A 36 11.523 -10.090 -7.349 1.00 0.00 H new ATOM 0 HB THR A 36 11.591 -11.601 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.544 -10.125 -11.007 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.807 -11.762 -10.884 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.213 -12.188 -9.262 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.829 -10.597 -9.960 1.00 0.00 H new ATOM 503 N HIS A 37 8.509 -8.990 -8.016 1.00 0.00 N ATOM 504 CA HIS A 37 7.686 -7.792 -8.130 1.00 0.00 C ATOM 505 C HIS A 37 6.487 -7.865 -7.190 1.00 0.00 C ATOM 506 O HIS A 37 6.001 -8.951 -6.870 1.00 0.00 O ATOM 507 CB HIS A 37 7.208 -7.611 -9.571 1.00 0.00 C ATOM 508 CG HIS A 37 6.283 -8.693 -10.036 1.00 0.00 C ATOM 509 ND1 HIS A 37 6.720 -9.942 -10.424 1.00 0.00 N ATOM 510 CD2 HIS A 37 4.936 -8.709 -10.172 1.00 0.00 C ATOM 511 CE1 HIS A 37 5.683 -10.678 -10.780 1.00 0.00 C ATOM 512 NE2 HIS A 37 4.588 -9.954 -10.636 1.00 0.00 N ATOM 0 H HIS A 37 7.981 -9.861 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 37 8.296 -6.934 -7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.702 -6.649 -9.659 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.075 -7.577 -10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.261 -7.894 -9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.724 -11.699 -11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.639 -10.268 -10.837 1.00 0.00 H new ATOM 521 N TYR A 38 6.015 -6.704 -6.749 1.00 0.00 N ATOM 522 CA TYR A 38 4.875 -6.637 -5.842 1.00 0.00 C ATOM 523 C TYR A 38 3.736 -5.829 -6.457 1.00 0.00 C ATOM 524 O TYR A 38 3.960 -4.781 -7.065 1.00 0.00 O ATOM 525 CB TYR A 38 5.293 -6.016 -4.508 1.00 0.00 C ATOM 526 CG TYR A 38 6.738 -6.275 -4.146 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.109 -7.432 -3.472 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.732 -5.363 -4.478 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.428 -7.673 -3.139 1.00 0.00 C ATOM 530 CE2 TYR A 38 9.054 -5.596 -4.150 1.00 0.00 C ATOM 531 CZ TYR A 38 9.397 -6.752 -3.480 1.00 0.00 C ATOM 532 OH TYR A 38 10.712 -6.988 -3.151 1.00 0.00 O ATOM 0 H TYR A 38 6.404 -5.797 -7.005 1.00 0.00 H new ATOM 0 HA TYR A 38 4.522 -7.653 -5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.125 -4.940 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.653 -6.409 -3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.353 -8.155 -3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.467 -4.456 -5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.699 -8.577 -2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.814 -4.877 -4.417 1.00 0.00 H new ATOM 0 HH TYR A 38 11.266 -6.243 -3.464 1.00 0.00 H new ATOM 542 N LEU A 39 2.514 -6.324 -6.295 1.00 0.00 N ATOM 543 CA LEU A 39 1.338 -5.648 -6.833 1.00 0.00 C ATOM 544 C LEU A 39 0.652 -4.810 -5.759 1.00 0.00 C ATOM 545 O LEU A 39 0.245 -5.327 -4.719 1.00 0.00 O ATOM 546 CB LEU A 39 0.354 -6.672 -7.403 1.00 0.00 C ATOM 547 CG LEU A 39 -0.802 -6.105 -8.227 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.526 -5.015 -7.452 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.295 -5.568 -9.558 1.00 0.00 C ATOM 0 H LEU A 39 2.311 -7.190 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 39 1.665 -4.983 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.910 -7.372 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.063 -7.245 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.509 -6.910 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.346 -4.623 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.923 -5.430 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.829 -4.210 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.131 -5.168 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.432 -4.777 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.178 -6.374 -10.119 1.00 0.00 H new ATOM 561 N VAL A 40 0.526 -3.513 -6.019 1.00 0.00 N ATOM 562 CA VAL A 40 -0.114 -2.603 -5.077 1.00 0.00 C ATOM 563 C VAL A 40 -1.445 -2.096 -5.619 1.00 0.00 C ATOM 564 O VAL A 40 -1.481 -1.261 -6.524 1.00 0.00 O ATOM 565 CB VAL A 40 0.791 -1.397 -4.758 1.00 0.00 C ATOM 566 CG1 VAL A 40 0.028 -0.354 -3.956 1.00 0.00 C ATOM 567 CG2 VAL A 40 2.037 -1.849 -4.012 1.00 0.00 C ATOM 0 H VAL A 40 0.859 -3.069 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.290 -3.168 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 40 1.103 -0.941 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.683 0.490 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.831 -0.009 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.316 -0.795 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.665 -0.985 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.747 -2.331 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.593 -2.556 -4.628 1.00 0.00 H new ATOM 577 N ARG A 41 -2.538 -2.606 -5.061 1.00 0.00 N ATOM 578 CA ARG A 41 -3.873 -2.205 -5.489 1.00 0.00 C ATOM 579 C ARG A 41 -4.354 -0.989 -4.703 1.00 0.00 C ATOM 580 O ARG A 41 -4.251 -0.949 -3.477 1.00 0.00 O ATOM 581 CB ARG A 41 -4.857 -3.362 -5.311 1.00 0.00 C ATOM 582 CG ARG A 41 -4.965 -4.264 -6.530 1.00 0.00 C ATOM 583 CD ARG A 41 -6.258 -5.063 -6.520 1.00 0.00 C ATOM 584 NE ARG A 41 -6.193 -6.221 -7.407 1.00 0.00 N ATOM 585 CZ ARG A 41 -5.610 -7.368 -7.076 1.00 0.00 C ATOM 586 NH1 ARG A 41 -5.046 -7.510 -5.885 1.00 0.00 N ATOM 587 NH2 ARG A 41 -5.592 -8.377 -7.938 1.00 0.00 N ATOM 0 H ARG A 41 -2.525 -3.298 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.824 -1.937 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.550 -3.960 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.843 -2.957 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.916 -3.660 -7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.115 -4.946 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.470 -5.396 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.084 -4.420 -6.824 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.618 -6.145 -8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.059 -6.737 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.599 -8.392 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.026 -8.272 -8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.144 -9.257 -7.683 1.00 0.00 H new ATOM 601 N CYS A 42 -4.878 0.001 -5.418 1.00 0.00 N ATOM 602 CA CYS A 42 -5.373 1.220 -4.788 1.00 0.00 C ATOM 603 C CYS A 42 -6.889 1.322 -4.919 1.00 0.00 C ATOM 604 O CYS A 42 -7.425 1.370 -6.026 1.00 0.00 O ATOM 605 CB CYS A 42 -4.711 2.448 -5.414 1.00 0.00 C ATOM 606 SG CYS A 42 -5.301 4.023 -4.751 1.00 0.00 S ATOM 0 H CYS A 42 -4.971 -0.017 -6.434 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.120 1.181 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.633 2.383 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.884 2.432 -6.490 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.681 5.002 -5.341 1.00 0.00 H new ATOM 612 N SER A 43 -7.576 1.352 -3.781 1.00 0.00 N ATOM 613 CA SER A 43 -9.031 1.443 -3.768 1.00 0.00 C ATOM 614 C SER A 43 -9.520 2.157 -2.512 1.00 0.00 C ATOM 615 O SER A 43 -8.917 2.069 -1.443 1.00 0.00 O ATOM 616 CB SER A 43 -9.651 0.046 -3.849 1.00 0.00 C ATOM 617 OG SER A 43 -9.528 -0.492 -5.154 1.00 0.00 O ATOM 0 H SER A 43 -7.148 1.315 -2.856 1.00 0.00 H new ATOM 0 HA SER A 43 -9.342 2.022 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.162 -0.614 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.704 0.095 -3.570 1.00 0.00 H new ATOM 0 HG SER A 43 -8.954 0.090 -5.695 1.00 0.00 H new ATOM 623 N PRO A 44 -10.641 2.882 -2.643 1.00 0.00 N ATOM 624 CA PRO A 44 -11.238 3.626 -1.530 1.00 0.00 C ATOM 625 C PRO A 44 -11.840 2.705 -0.474 1.00 0.00 C ATOM 626 O PRO A 44 -12.410 1.663 -0.798 1.00 0.00 O ATOM 627 CB PRO A 44 -12.333 4.455 -2.204 1.00 0.00 C ATOM 628 CG PRO A 44 -12.685 3.691 -3.433 1.00 0.00 C ATOM 629 CD PRO A 44 -11.413 3.031 -3.889 1.00 0.00 C ATOM 0 HA PRO A 44 -10.499 4.224 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.198 4.574 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.978 5.456 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.456 2.950 -3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.080 4.353 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.607 2.067 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.883 3.642 -4.620 1.00 0.00 H new ATOM 637 N ALA A 45 -11.710 3.096 0.789 1.00 0.00 N ATOM 638 CA ALA A 45 -12.244 2.307 1.892 1.00 0.00 C ATOM 639 C ALA A 45 -13.767 2.381 1.934 1.00 0.00 C ATOM 640 O ALA A 45 -14.440 1.385 2.198 1.00 0.00 O ATOM 641 CB ALA A 45 -11.655 2.779 3.213 1.00 0.00 C ATOM 0 H ALA A 45 -11.239 3.955 1.074 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.961 1.267 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.063 2.181 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.571 2.668 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.909 3.827 3.371 1.00 0.00 H new ATOM 761 N ARG A 54 -7.952 0.749 -8.916 1.00 0.00 N ATOM 762 CA ARG A 54 -6.661 0.937 -9.566 1.00 0.00 C ATOM 763 C ARG A 54 -5.635 -0.060 -9.036 1.00 0.00 C ATOM 764 O ARG A 54 -5.755 -0.551 -7.914 1.00 0.00 O ATOM 765 CB ARG A 54 -6.159 2.366 -9.346 1.00 0.00 C ATOM 766 CG ARG A 54 -5.071 2.786 -10.321 1.00 0.00 C ATOM 767 CD ARG A 54 -5.638 3.062 -11.704 1.00 0.00 C ATOM 768 NE ARG A 54 -6.403 4.305 -11.744 1.00 0.00 N ATOM 769 CZ ARG A 54 -5.855 5.500 -11.931 1.00 0.00 C ATOM 770 NH1 ARG A 54 -4.544 5.613 -12.095 1.00 0.00 N ATOM 771 NH2 ARG A 54 -6.618 6.585 -11.955 1.00 0.00 N ATOM 0 HA ARG A 54 -6.792 0.765 -10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.999 3.055 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.778 2.456 -8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.571 3.679 -9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.317 2.002 -10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.823 3.115 -12.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.278 2.233 -12.005 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.414 4.253 -11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.954 4.781 -12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.125 6.532 -12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.627 6.502 -11.830 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.196 7.502 -12.099 1.00 0.00 H new ATOM 785 N GLU A 55 -4.628 -0.355 -9.851 1.00 0.00 N ATOM 786 CA GLU A 55 -3.582 -1.296 -9.464 1.00 0.00 C ATOM 787 C GLU A 55 -2.238 -0.893 -10.064 1.00 0.00 C ATOM 788 O GLU A 55 -2.087 -0.819 -11.284 1.00 0.00 O ATOM 789 CB GLU A 55 -3.949 -2.712 -9.911 1.00 0.00 C ATOM 790 CG GLU A 55 -4.336 -2.807 -11.377 1.00 0.00 C ATOM 791 CD GLU A 55 -3.152 -3.112 -12.275 1.00 0.00 C ATOM 792 OE1 GLU A 55 -2.523 -4.174 -12.087 1.00 0.00 O ATOM 793 OE2 GLU A 55 -2.855 -2.287 -13.164 1.00 0.00 O ATOM 0 H GLU A 55 -4.514 0.043 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.495 -1.277 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.103 -3.374 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.777 -3.073 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.090 -3.584 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.792 -1.868 -11.690 1.00 0.00 H new ATOM 800 N VAL A 56 -1.264 -0.632 -9.198 1.00 0.00 N ATOM 801 CA VAL A 56 0.067 -0.237 -9.641 1.00 0.00 C ATOM 802 C VAL A 56 1.135 -1.160 -9.065 1.00 0.00 C ATOM 803 O VAL A 56 0.938 -1.772 -8.016 1.00 0.00 O ATOM 804 CB VAL A 56 0.386 1.214 -9.235 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.482 2.190 -10.014 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.200 1.401 -7.737 1.00 0.00 C ATOM 0 H VAL A 56 -1.372 -0.687 -8.185 1.00 0.00 H new ATOM 0 HA VAL A 56 0.074 -0.313 -10.728 1.00 0.00 H new ATOM 0 HB VAL A 56 1.429 1.420 -9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.242 3.210 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.294 2.072 -11.081 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.533 1.988 -9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.430 2.432 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.832 1.177 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.869 0.728 -7.201 1.00 0.00 H new ATOM 816 N GLN A 57 2.264 -1.255 -9.759 1.00 0.00 N ATOM 817 CA GLN A 57 3.363 -2.105 -9.316 1.00 0.00 C ATOM 818 C GLN A 57 4.593 -1.270 -8.974 1.00 0.00 C ATOM 819 O GLN A 57 4.809 -0.202 -9.546 1.00 0.00 O ATOM 820 CB GLN A 57 3.712 -3.129 -10.397 1.00 0.00 C ATOM 821 CG GLN A 57 2.786 -4.335 -10.414 1.00 0.00 C ATOM 822 CD GLN A 57 1.614 -4.158 -11.359 1.00 0.00 C ATOM 823 OE1 GLN A 57 0.673 -3.419 -11.069 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.665 -4.838 -12.499 1.00 0.00 N ATOM 0 H GLN A 57 2.442 -0.754 -10.630 1.00 0.00 H new ATOM 0 HA GLN A 57 3.042 -2.632 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.679 -2.642 -11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.736 -3.470 -10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.353 -5.219 -10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.411 -4.515 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.464 -5.439 -12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.905 -4.759 -13.174 1.00 0.00 H new ATOM 833 N VAL A 58 5.397 -1.765 -8.038 1.00 0.00 N ATOM 834 CA VAL A 58 6.606 -1.065 -7.620 1.00 0.00 C ATOM 835 C VAL A 58 7.749 -2.043 -7.375 1.00 0.00 C ATOM 836 O VAL A 58 7.557 -3.103 -6.780 1.00 0.00 O ATOM 837 CB VAL A 58 6.364 -0.243 -6.341 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.327 0.841 -6.590 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.936 -1.150 -5.197 1.00 0.00 C ATOM 0 H VAL A 58 5.233 -2.648 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 58 6.878 -0.389 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 58 7.299 0.241 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.170 1.411 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.680 1.508 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.387 0.382 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.769 -0.552 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.014 -1.665 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.718 -1.884 -5.003 1.00 0.00 H new ATOM 849 N GLY A 59 8.942 -1.679 -7.837 1.00 0.00 N ATOM 850 CA GLY A 59 10.100 -2.535 -7.657 1.00 0.00 C ATOM 851 C GLY A 59 10.518 -2.648 -6.205 1.00 0.00 C ATOM 852 O GLY A 59 11.158 -3.622 -5.810 1.00 0.00 O ATOM 0 H GLY A 59 9.127 -0.807 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.877 -3.529 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.932 -2.143 -8.242 1.00 0.00 H new ATOM 856 N ARG A 60 10.156 -1.648 -5.407 1.00 0.00 N ATOM 857 CA ARG A 60 10.500 -1.639 -3.990 1.00 0.00 C ATOM 858 C ARG A 60 9.255 -1.820 -3.127 1.00 0.00 C ATOM 859 O ARG A 60 8.135 -1.515 -3.538 1.00 0.00 O ATOM 860 CB ARG A 60 11.202 -0.330 -3.623 1.00 0.00 C ATOM 861 CG ARG A 60 11.972 0.293 -4.776 1.00 0.00 C ATOM 862 CD ARG A 60 13.163 1.098 -4.280 1.00 0.00 C ATOM 863 NE ARG A 60 14.176 1.272 -5.318 1.00 0.00 N ATOM 864 CZ ARG A 60 15.331 1.897 -5.119 1.00 0.00 C ATOM 865 NH1 ARG A 60 15.619 2.404 -3.929 1.00 0.00 N ATOM 866 NH2 ARG A 60 16.202 2.015 -6.114 1.00 0.00 N ATOM 0 H ARG A 60 9.625 -0.834 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 60 11.176 -2.472 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.459 0.383 -3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.889 -0.515 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.317 -0.491 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.309 0.939 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.823 2.075 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.607 0.596 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 60 13.986 0.893 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.953 2.315 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.507 2.883 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.984 1.626 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 60 17.089 2.495 -5.961 1.00 0.00 H new ATOM 880 N PRO A 61 9.453 -2.329 -1.902 1.00 0.00 N ATOM 881 CA PRO A 61 8.358 -2.563 -0.956 1.00 0.00 C ATOM 882 C PRO A 61 7.762 -1.263 -0.426 1.00 0.00 C ATOM 883 O PRO A 61 6.875 -1.279 0.426 1.00 0.00 O ATOM 884 CB PRO A 61 9.029 -3.345 0.177 1.00 0.00 C ATOM 885 CG PRO A 61 10.465 -2.953 0.109 1.00 0.00 C ATOM 886 CD PRO A 61 10.761 -2.716 -1.347 1.00 0.00 C ATOM 0 HA PRO A 61 7.524 -3.089 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.595 -3.092 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.905 -4.420 0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.652 -2.054 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.103 -3.738 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.504 -1.930 -1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.153 -3.612 -1.829 1.00 0.00 H new ATOM 894 N GLU A 62 8.256 -0.140 -0.937 1.00 0.00 N ATOM 895 CA GLU A 62 7.771 1.169 -0.514 1.00 0.00 C ATOM 896 C GLU A 62 7.095 1.899 -1.671 1.00 0.00 C ATOM 897 O GLU A 62 7.731 2.219 -2.674 1.00 0.00 O ATOM 898 CB GLU A 62 8.925 2.013 0.031 1.00 0.00 C ATOM 899 CG GLU A 62 9.896 2.480 -1.040 1.00 0.00 C ATOM 900 CD GLU A 62 11.293 2.717 -0.498 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.628 2.136 0.555 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.050 3.485 -1.128 1.00 0.00 O ATOM 0 H GLU A 62 8.991 -0.110 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 62 7.036 1.018 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.517 2.884 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.470 1.431 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.940 1.735 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.523 3.401 -1.487 1.00 0.00 H new ATOM 909 N VAL A 63 5.799 2.158 -1.522 1.00 0.00 N ATOM 910 CA VAL A 63 5.035 2.850 -2.553 1.00 0.00 C ATOM 911 C VAL A 63 4.545 4.205 -2.057 1.00 0.00 C ATOM 912 O VAL A 63 4.210 4.365 -0.882 1.00 0.00 O ATOM 913 CB VAL A 63 3.825 2.014 -3.011 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.835 1.838 -1.870 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.155 2.662 -4.214 1.00 0.00 C ATOM 0 H VAL A 63 5.257 1.899 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 63 5.706 2.998 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 63 4.179 1.027 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.987 1.245 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.323 1.327 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.484 2.815 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.302 2.058 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.813 3.662 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.869 2.731 -5.035 1.00 0.00 H new ATOM 925 N LEU A 64 4.503 5.180 -2.959 1.00 0.00 N ATOM 926 CA LEU A 64 4.052 6.523 -2.613 1.00 0.00 C ATOM 927 C LEU A 64 3.012 7.022 -3.611 1.00 0.00 C ATOM 928 O LEU A 64 3.343 7.373 -4.745 1.00 0.00 O ATOM 929 CB LEU A 64 5.240 7.487 -2.572 1.00 0.00 C ATOM 930 CG LEU A 64 4.896 8.972 -2.463 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.215 9.267 -1.135 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.148 9.823 -2.622 1.00 0.00 C ATOM 0 H LEU A 64 4.776 5.065 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 64 3.591 6.482 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.871 7.218 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.835 7.338 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 64 4.204 9.224 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.978 10.329 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.296 8.685 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.882 8.998 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.884 10.877 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.863 9.567 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.595 9.634 -3.598 1.00 0.00 H new ATOM 944 N LEU A 65 1.756 7.054 -3.182 1.00 0.00 N ATOM 945 CA LEU A 65 0.667 7.513 -4.038 1.00 0.00 C ATOM 946 C LEU A 65 0.551 9.034 -4.004 1.00 0.00 C ATOM 947 O LEU A 65 0.577 9.644 -2.936 1.00 0.00 O ATOM 948 CB LEU A 65 -0.655 6.880 -3.598 1.00 0.00 C ATOM 949 CG LEU A 65 -0.680 5.352 -3.537 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.931 4.867 -2.821 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.601 4.761 -4.937 1.00 0.00 C ATOM 0 H LEU A 65 1.466 6.768 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 65 0.888 7.207 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.910 7.267 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.438 7.209 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 65 0.190 5.016 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.932 3.778 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.945 5.262 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.815 5.214 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.620 3.673 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.451 5.105 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.325 5.081 -5.415 1.00 0.00 H new ATOM 963 N ASP A 66 0.422 9.638 -5.180 1.00 0.00 N ATOM 964 CA ASP A 66 0.299 11.087 -5.285 1.00 0.00 C ATOM 965 C ASP A 66 -1.087 11.480 -5.788 1.00 0.00 C ATOM 966 O ASP A 66 -1.892 10.623 -6.151 1.00 0.00 O ATOM 967 CB ASP A 66 1.372 11.645 -6.222 1.00 0.00 C ATOM 968 CG ASP A 66 1.279 11.064 -7.619 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.151 10.767 -8.064 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.335 10.905 -8.267 1.00 0.00 O ATOM 0 H ASP A 66 0.400 9.147 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 66 0.439 11.512 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.275 12.729 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.358 11.433 -5.808 1.00 0.00 H new ATOM 975 N GLY A 67 -1.358 12.781 -5.806 1.00 0.00 N ATOM 976 CA GLY A 67 -2.647 13.264 -6.265 1.00 0.00 C ATOM 977 C GLY A 67 -3.804 12.601 -5.546 1.00 0.00 C ATOM 978 O GLY A 67 -4.645 11.953 -6.172 1.00 0.00 O ATOM 0 H GLY A 67 -0.708 13.509 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.701 14.342 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.738 13.085 -7.336 1.00 0.00 H new ATOM 982 N LEU A 68 -3.849 12.759 -4.228 1.00 0.00 N ATOM 983 CA LEU A 68 -4.912 12.168 -3.422 1.00 0.00 C ATOM 984 C LEU A 68 -5.780 13.250 -2.788 1.00 0.00 C ATOM 985 O LEU A 68 -5.541 14.442 -2.980 1.00 0.00 O ATOM 986 CB LEU A 68 -4.316 11.273 -2.333 1.00 0.00 C ATOM 987 CG LEU A 68 -3.475 10.093 -2.821 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.400 9.747 -1.803 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.360 8.885 -3.095 1.00 0.00 C ATOM 0 H LEU A 68 -3.162 13.291 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.538 11.564 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.697 11.890 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.132 10.885 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.986 10.380 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.811 8.905 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.748 10.608 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.868 9.479 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.745 8.054 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.876 8.597 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.093 9.137 -3.861 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.786 12.826 -2.029 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.688 13.760 -1.366 1.00 0.00 C ATOM 1003 C GLU A 69 -7.596 13.620 0.151 1.00 0.00 C ATOM 1004 O GLU A 69 -7.543 12.518 0.697 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.129 13.524 -1.824 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.813 12.369 -1.112 1.00 0.00 C ATOM 1007 CD GLU A 69 -11.002 11.831 -1.883 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -11.861 12.640 -2.291 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -11.074 10.599 -2.078 1.00 0.00 O ATOM 0 H GLU A 69 -6.996 11.843 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.388 14.772 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.707 14.434 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.133 13.332 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.093 11.566 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.143 12.698 -0.127 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.576 14.765 0.850 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.490 14.798 2.313 1.00 0.00 C ATOM 1018 C PRO A 70 -8.767 14.300 2.980 1.00 0.00 C ATOM 1019 O PRO A 70 -9.845 14.340 2.388 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.269 16.281 2.621 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.859 17.002 1.459 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.636 16.115 0.265 1.00 0.00 C ATOM 0 HA PRO A 70 -6.701 14.148 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.755 16.568 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.209 16.509 2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.922 17.188 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.383 17.972 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.446 16.204 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.713 16.368 -0.257 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.638 13.829 4.217 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.791 13.330 4.944 1.00 0.00 C ATOM 1032 C GLY A 71 -10.483 12.191 4.222 1.00 0.00 C ATOM 1033 O GLY A 71 -11.706 12.190 4.079 1.00 0.00 O ATOM 0 H GLY A 71 -7.756 13.784 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.476 12.992 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.500 14.143 5.097 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.700 11.220 3.763 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.245 10.072 3.049 1.00 0.00 C ATOM 1039 C ARG A 72 -9.537 8.786 3.465 1.00 0.00 C ATOM 1040 O ARG A 72 -8.403 8.817 3.945 1.00 0.00 O ATOM 1041 CB ARG A 72 -10.112 10.274 1.539 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.182 9.556 0.731 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.457 10.380 0.641 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.579 9.597 0.132 1.00 0.00 N ATOM 1045 CZ ARG A 72 -14.751 10.124 -0.205 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -14.952 11.429 -0.087 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -15.724 9.346 -0.661 1.00 0.00 N ATOM 0 H ARG A 72 -8.686 11.206 3.873 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.301 9.984 3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.157 11.341 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.131 9.923 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.807 9.353 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.402 8.592 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.706 10.772 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.289 11.238 -0.010 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.456 8.590 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.206 12.030 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.853 11.832 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.573 8.341 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.623 9.752 -0.919 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.213 7.658 3.279 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.648 6.361 3.635 1.00 0.00 C ATOM 1063 C ASP A 73 -9.346 5.539 2.386 1.00 0.00 C ATOM 1064 O ASP A 73 -10.204 5.369 1.520 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.610 5.594 4.545 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.374 5.887 6.014 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -9.560 5.173 6.638 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -11.002 6.829 6.539 1.00 0.00 O ATOM 0 H ASP A 73 -11.152 7.615 2.884 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.714 6.533 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.636 5.854 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.498 4.524 4.368 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.121 5.032 2.300 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.705 4.231 1.155 1.00 0.00 C ATOM 1075 C TYR A 74 -7.173 2.873 1.605 1.00 0.00 C ATOM 1076 O TYR A 74 -6.252 2.794 2.417 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.633 4.970 0.352 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.161 6.172 -0.399 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.964 6.017 -1.522 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.857 7.463 0.016 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.448 7.112 -2.210 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.337 8.564 -0.665 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.132 8.384 -1.778 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.613 9.477 -2.461 1.00 0.00 O ATOM 0 H TYR A 74 -7.399 5.161 3.009 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.577 4.068 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.842 5.293 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.181 4.278 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.214 5.023 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.234 7.608 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.071 6.974 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.092 9.560 -0.328 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.517 9.687 -2.147 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.760 1.808 1.070 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.346 0.453 1.416 1.00 0.00 C ATOM 1096 C GLU A 75 -6.281 -0.054 0.448 1.00 0.00 C ATOM 1097 O GLU A 75 -6.594 -0.694 -0.557 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.550 -0.490 1.407 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.383 -0.426 2.677 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.273 -1.641 2.853 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -9.842 -2.752 2.481 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -11.402 -1.479 3.362 1.00 0.00 O ATOM 0 H GLU A 75 -8.524 1.857 0.395 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.920 0.476 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.184 -0.248 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.199 -1.512 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.720 -0.338 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.000 0.472 2.657 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.021 0.237 0.756 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.910 -0.190 -0.085 1.00 0.00 C ATOM 1111 C VAL A 76 -3.462 -1.603 0.271 1.00 0.00 C ATOM 1112 O VAL A 76 -2.920 -1.840 1.350 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.709 0.765 0.045 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.557 0.298 -0.831 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.118 2.187 -0.312 1.00 0.00 C ATOM 0 H VAL A 76 -4.745 0.767 1.582 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.268 -0.174 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.372 0.757 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.718 0.986 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.248 -0.701 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.878 0.274 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.257 2.848 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.482 2.214 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.908 2.518 0.362 1.00 0.00 H new ATOM 1125 N SER A 77 -3.692 -2.539 -0.645 1.00 0.00 N ATOM 1126 CA SER A 77 -3.315 -3.931 -0.427 1.00 0.00 C ATOM 1127 C SER A 77 -2.066 -4.287 -1.227 1.00 0.00 C ATOM 1128 O SER A 77 -1.999 -4.052 -2.434 1.00 0.00 O ATOM 1129 CB SER A 77 -4.466 -4.860 -0.816 1.00 0.00 C ATOM 1130 OG SER A 77 -5.717 -4.303 -0.450 1.00 0.00 O ATOM 0 H SER A 77 -4.137 -2.359 -1.545 1.00 0.00 H new ATOM 0 HA SER A 77 -3.096 -4.061 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.445 -5.040 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.338 -5.826 -0.329 1.00 0.00 H new ATOM 0 HG SER A 77 -6.437 -4.915 -0.711 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.076 -4.855 -0.545 1.00 0.00 N ATOM 1137 CA VAL A 78 0.171 -5.246 -1.191 1.00 0.00 C ATOM 1138 C VAL A 78 0.271 -6.761 -1.323 1.00 0.00 C ATOM 1139 O VAL A 78 -0.028 -7.497 -0.383 1.00 0.00 O ATOM 1140 CB VAL A 78 1.394 -4.728 -0.410 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.678 -5.034 -1.165 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.263 -3.236 -0.145 1.00 0.00 C ATOM 0 H VAL A 78 -1.114 -5.054 0.455 1.00 0.00 H new ATOM 0 HA VAL A 78 0.166 -4.798 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 78 1.435 -5.242 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.531 -4.661 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.774 -6.112 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.651 -4.549 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.135 -2.887 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.196 -2.703 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.363 -3.048 0.441 1.00 0.00 H new ATOM 1152 N GLN A 79 0.694 -7.221 -2.497 1.00 0.00 N ATOM 1153 CA GLN A 79 0.832 -8.650 -2.752 1.00 0.00 C ATOM 1154 C GLN A 79 2.143 -8.950 -3.471 1.00 0.00 C ATOM 1155 O GLN A 79 2.368 -8.489 -4.590 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.347 -9.158 -3.583 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.069 -10.473 -4.293 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.192 -10.882 -5.225 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.162 -10.145 -5.408 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.068 -12.062 -5.821 1.00 0.00 N ATOM 0 H GLN A 79 0.947 -6.625 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 79 0.839 -9.166 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.213 -9.282 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.611 -8.403 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.857 -10.386 -4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.086 -11.256 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.248 -12.641 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.793 -12.390 -6.459 1.00 0.00 H new ATOM 1169 N SER A 80 3.006 -9.724 -2.820 1.00 0.00 N ATOM 1170 CA SER A 80 4.297 -10.082 -3.396 1.00 0.00 C ATOM 1171 C SER A 80 4.125 -11.086 -4.532 1.00 0.00 C ATOM 1172 O SER A 80 3.735 -12.233 -4.309 1.00 0.00 O ATOM 1173 CB SER A 80 5.215 -10.664 -2.320 1.00 0.00 C ATOM 1174 OG SER A 80 5.767 -9.640 -1.511 1.00 0.00 O ATOM 0 H SER A 80 2.834 -10.115 -1.894 1.00 0.00 H new ATOM 0 HA SER A 80 4.751 -9.177 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.654 -11.361 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.017 -11.232 -2.791 1.00 0.00 H new ATOM 0 HG SER A 80 5.635 -9.863 -0.566 1.00 0.00 H new ATOM 1180 N LEU A 81 4.420 -10.647 -5.751 1.00 0.00 N ATOM 1181 CA LEU A 81 4.299 -11.506 -6.924 1.00 0.00 C ATOM 1182 C LEU A 81 5.658 -12.064 -7.333 1.00 0.00 C ATOM 1183 O LEU A 81 6.542 -11.321 -7.760 1.00 0.00 O ATOM 1184 CB LEU A 81 3.683 -10.728 -8.088 1.00 0.00 C ATOM 1185 CG LEU A 81 2.203 -10.370 -7.948 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.797 -9.354 -9.005 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.340 -11.620 -8.048 1.00 0.00 C ATOM 0 H LEU A 81 4.745 -9.701 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 81 3.647 -12.341 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.248 -9.806 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.810 -11.314 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 81 2.048 -9.923 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.741 -9.111 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.392 -8.449 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.967 -9.773 -9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.290 -11.346 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.499 -12.095 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.612 -12.315 -7.254 1.00 0.00 H new ATOM 1199 N ARG A 82 5.818 -13.376 -7.200 1.00 0.00 N ATOM 1200 CA ARG A 82 7.069 -14.034 -7.556 1.00 0.00 C ATOM 1201 C ARG A 82 6.972 -14.674 -8.938 1.00 0.00 C ATOM 1202 O ARG A 82 7.643 -15.665 -9.223 1.00 0.00 O ATOM 1203 CB ARG A 82 7.426 -15.096 -6.515 1.00 0.00 C ATOM 1204 CG ARG A 82 8.850 -15.613 -6.636 1.00 0.00 C ATOM 1205 CD ARG A 82 9.244 -16.448 -5.427 1.00 0.00 C ATOM 1206 NE ARG A 82 10.543 -17.091 -5.607 1.00 0.00 N ATOM 1207 CZ ARG A 82 10.719 -18.214 -6.294 1.00 0.00 C ATOM 1208 NH1 ARG A 82 9.684 -18.814 -6.865 1.00 0.00 N ATOM 1209 NH2 ARG A 82 11.932 -18.738 -6.413 1.00 0.00 N ATOM 0 H ARG A 82 5.096 -14.005 -6.848 1.00 0.00 H new ATOM 0 HA ARG A 82 7.854 -13.278 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.284 -14.678 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.735 -15.934 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.945 -16.213 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.536 -14.772 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.273 -15.813 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.484 -17.209 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 82 11.360 -16.653 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.750 -18.413 -6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.822 -19.676 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.731 -18.278 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.065 -19.600 -6.941 1.00 0.00 H new ATOM 1223 N GLY A 83 6.132 -14.099 -9.794 1.00 0.00 N ATOM 1224 CA GLY A 83 5.963 -14.626 -11.135 1.00 0.00 C ATOM 1225 C GLY A 83 4.557 -15.136 -11.384 1.00 0.00 C ATOM 1226 O GLY A 83 3.624 -14.364 -11.605 1.00 0.00 O ATOM 0 H GLY A 83 5.566 -13.278 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.198 -13.847 -11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.674 -15.436 -11.296 1.00 0.00 H new ATOM 1230 N PRO A 84 4.392 -16.467 -11.352 1.00 0.00 N ATOM 1231 CA PRO A 84 3.093 -17.109 -11.575 1.00 0.00 C ATOM 1232 C PRO A 84 2.120 -16.862 -10.428 1.00 0.00 C ATOM 1233 O PRO A 84 0.978 -16.460 -10.647 1.00 0.00 O ATOM 1234 CB PRO A 84 3.444 -18.596 -11.668 1.00 0.00 C ATOM 1235 CG PRO A 84 4.711 -18.735 -10.896 1.00 0.00 C ATOM 1236 CD PRO A 84 5.461 -17.447 -11.094 1.00 0.00 C ATOM 0 HA PRO A 84 2.592 -16.719 -12.461 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.653 -19.217 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.575 -18.908 -12.704 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.507 -18.909 -9.840 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.294 -19.584 -11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.045 -17.182 -10.213 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.157 -17.512 -11.930 1.00 0.00 H new ATOM 1244 N GLU A 85 2.580 -17.104 -9.204 1.00 0.00 N ATOM 1245 CA GLU A 85 1.748 -16.908 -8.023 1.00 0.00 C ATOM 1246 C GLU A 85 2.371 -15.879 -7.083 1.00 0.00 C ATOM 1247 O GLU A 85 3.593 -15.753 -7.006 1.00 0.00 O ATOM 1248 CB GLU A 85 1.549 -18.234 -7.286 1.00 0.00 C ATOM 1249 CG GLU A 85 2.840 -18.835 -6.756 1.00 0.00 C ATOM 1250 CD GLU A 85 2.618 -20.149 -6.032 1.00 0.00 C ATOM 1251 OE1 GLU A 85 2.146 -21.109 -6.678 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.914 -20.218 -4.821 1.00 0.00 O ATOM 0 H GLU A 85 3.524 -17.436 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 85 0.778 -16.534 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.862 -18.078 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.076 -18.948 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.530 -18.993 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.315 -18.126 -6.077 1.00 0.00 H new ATOM 1259 N GLY A 86 1.521 -15.146 -6.371 1.00 0.00 N ATOM 1260 CA GLY A 86 2.006 -14.137 -5.447 1.00 0.00 C ATOM 1261 C GLY A 86 1.718 -14.489 -4.001 1.00 0.00 C ATOM 1262 O GLY A 86 1.423 -15.641 -3.683 1.00 0.00 O ATOM 0 H GLY A 86 0.506 -15.233 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.081 -14.013 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.543 -13.179 -5.684 1.00 0.00 H new ATOM 1266 N SER A 87 1.805 -13.495 -3.123 1.00 0.00 N ATOM 1267 CA SER A 87 1.557 -13.707 -1.702 1.00 0.00 C ATOM 1268 C SER A 87 0.126 -13.323 -1.337 1.00 0.00 C ATOM 1269 O SER A 87 -0.619 -12.807 -2.168 1.00 0.00 O ATOM 1270 CB SER A 87 2.545 -12.894 -0.863 1.00 0.00 C ATOM 1271 OG SER A 87 2.143 -11.538 -0.775 1.00 0.00 O ATOM 0 H SER A 87 2.045 -12.535 -3.371 1.00 0.00 H new ATOM 0 HA SER A 87 1.696 -14.767 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.616 -13.321 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.539 -12.954 -1.306 1.00 0.00 H new ATOM 0 HG SER A 87 2.822 -11.027 -0.287 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.249 -13.580 -0.088 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.590 -13.263 0.387 1.00 0.00 C ATOM 1279 C GLU A 88 -1.825 -11.755 0.386 1.00 0.00 C ATOM 1280 O GLU A 88 -0.884 -10.970 0.495 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.802 -13.822 1.796 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.016 -15.326 1.828 1.00 0.00 C ATOM 1283 CD GLU A 88 -1.671 -15.936 3.172 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -1.745 -15.212 4.188 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -1.328 -17.136 3.210 1.00 0.00 O ATOM 0 H GLU A 88 0.357 -14.007 0.613 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.307 -13.726 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.937 -13.573 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.665 -13.331 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.057 -15.546 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.406 -15.792 1.054 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.087 -11.359 0.261 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.447 -9.946 0.247 1.00 0.00 C ATOM 1294 C ALA A 89 -3.398 -9.353 1.651 1.00 0.00 C ATOM 1295 O ALA A 89 -4.168 -9.745 2.528 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.830 -9.759 -0.359 1.00 0.00 C ATOM 0 H ALA A 89 -3.878 -11.997 0.168 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.719 -9.417 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.085 -8.699 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.833 -10.137 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.564 -10.307 0.233 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.487 -8.408 1.858 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.336 -7.763 3.157 1.00 0.00 C ATOM 1304 C ARG A 90 -2.402 -6.244 3.020 1.00 0.00 C ATOM 1305 O ARG A 90 -1.443 -5.608 2.585 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.011 -8.171 3.803 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.881 -9.667 4.032 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.621 -10.105 5.286 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.940 -11.530 5.264 1.00 0.00 N ATOM 1310 CZ ARG A 90 -2.364 -12.205 6.327 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.520 -11.587 7.490 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -2.635 -13.500 6.227 1.00 0.00 N ATOM 0 H ARG A 90 -1.842 -8.072 1.143 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.158 -8.090 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.189 -7.836 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.908 -7.655 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.275 -10.204 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.173 -9.933 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.012 -9.883 6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.541 -9.529 5.384 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.831 -12.035 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.314 -10.591 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.846 -12.108 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.518 -13.978 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.960 -14.017 7.044 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.541 -5.670 3.395 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.711 -4.231 3.306 1.00 0.00 C ATOM 1328 C GLY A 91 -3.684 -3.559 4.665 1.00 0.00 C ATOM 1329 O GLY A 91 -3.815 -4.222 5.695 1.00 0.00 O ATOM 0 H GLY A 91 -4.349 -6.175 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.921 -3.813 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.658 -4.010 2.813 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.514 -2.242 4.668 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.470 -1.481 5.910 1.00 0.00 C ATOM 1335 C ILE A 92 -4.403 -0.276 5.850 1.00 0.00 C ATOM 1336 O ILE A 92 -4.702 0.237 4.772 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.043 -0.995 6.223 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.017 -0.243 7.555 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.526 -0.109 5.099 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.622 -0.020 8.097 1.00 0.00 C ATOM 0 H ILE A 92 -3.404 -1.679 3.824 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.798 -2.153 6.703 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.390 -1.864 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.507 0.722 7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.598 -0.801 8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.516 0.226 5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.512 -0.674 4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.179 0.757 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.681 0.519 9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.136 -0.982 8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.043 0.565 7.382 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.860 0.171 7.016 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.759 1.315 7.096 1.00 0.00 C ATOM 1354 C ARG A 93 -5.003 2.619 6.854 1.00 0.00 C ATOM 1355 O ARG A 93 -4.302 3.114 7.736 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.444 1.357 8.463 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.378 2.544 8.640 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.783 2.225 8.156 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.401 1.157 8.938 1.00 0.00 N ATOM 1360 CZ ARG A 93 -9.982 1.350 10.117 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -10.023 2.564 10.647 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -10.523 0.328 10.767 1.00 0.00 N ATOM 0 H ARG A 93 -4.622 -0.242 7.918 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.517 1.205 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.010 0.436 8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.682 1.386 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.410 2.829 9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.988 3.400 8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.400 3.122 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.747 1.932 7.107 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.386 0.211 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.608 3.352 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.470 2.710 11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.493 -0.608 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.969 0.478 11.672 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.150 3.168 5.653 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.483 4.413 5.296 1.00 0.00 C ATOM 1378 C ALA A 94 -5.441 5.596 5.390 1.00 0.00 C ATOM 1379 O ALA A 94 -6.455 5.643 4.693 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.898 4.316 3.894 1.00 0.00 C ATOM 0 H ALA A 94 -5.725 2.770 4.911 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.672 4.578 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.403 5.253 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.174 3.502 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.698 4.123 3.179 1.00 0.00 H new ATOM 1386 N ARG A 95 -5.113 6.550 6.255 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.946 7.732 6.442 1.00 0.00 C ATOM 1388 C ARG A 95 -5.126 9.007 6.268 1.00 0.00 C ATOM 1389 O ARG A 95 -3.897 8.982 6.334 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.592 7.713 7.828 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.622 8.020 8.957 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.963 6.756 9.485 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.868 7.052 10.405 1.00 0.00 N ATOM 1394 CZ ARG A 95 -4.048 7.456 11.657 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -5.275 7.611 12.137 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -3.001 7.706 12.432 1.00 0.00 N ATOM 0 H ARG A 95 -4.276 6.528 6.838 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.729 7.718 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.404 8.439 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.036 6.732 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.856 8.710 8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.152 8.521 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.708 6.144 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.585 6.168 8.649 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.912 6.942 10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.083 7.420 11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.411 7.921 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.056 7.588 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.141 8.016 13.394 1.00 0.00 H new ATOM 1410 N THR A 96 -5.816 10.122 6.046 1.00 0.00 N ATOM 1411 CA THR A 96 -5.153 11.407 5.862 1.00 0.00 C ATOM 1412 C THR A 96 -5.963 12.538 6.484 1.00 0.00 C ATOM 1413 O THR A 96 -7.193 12.554 6.433 1.00 0.00 O ATOM 1414 CB THR A 96 -4.927 11.713 4.369 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.181 11.737 3.678 1.00 0.00 O ATOM 1416 CG2 THR A 96 -4.013 10.674 3.736 1.00 0.00 C ATOM 0 H THR A 96 -6.834 10.161 5.989 1.00 0.00 H new ATOM 0 HA THR A 96 -4.187 11.339 6.362 1.00 0.00 H new ATOM 0 HB THR A 96 -4.450 12.690 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.046 12.070 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.868 10.911 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.049 10.679 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.466 9.687 3.827 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.260 13.509 7.085 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.895 14.664 7.728 1.00 0.00 C ATOM 1426 C PRO A 97 -6.529 15.614 6.717 1.00 0.00 C ATOM 1427 O PRO A 97 -6.607 15.309 5.527 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.733 15.350 8.451 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.520 14.946 7.687 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.792 13.555 7.183 1.00 0.00 C ATOM 0 HA PRO A 97 -6.710 14.367 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.855 16.433 8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.670 15.031 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.334 15.631 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.634 14.965 8.322 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.319 13.378 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.411 12.798 7.868 1.00 0.00 H new ATOM 1438 N THR A 98 -6.981 16.767 7.199 1.00 0.00 N ATOM 1439 CA THR A 98 -7.609 17.762 6.338 1.00 0.00 C ATOM 1440 C THR A 98 -6.921 19.115 6.469 1.00 0.00 C ATOM 1441 O THR A 98 -6.827 19.672 7.563 1.00 0.00 O ATOM 1442 CB THR A 98 -9.105 17.925 6.667 1.00 0.00 C ATOM 1443 OG1 THR A 98 -9.277 18.133 8.073 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.892 16.699 6.230 1.00 0.00 C ATOM 0 H THR A 98 -6.924 17.035 8.181 1.00 0.00 H new ATOM 0 HA THR A 98 -7.507 17.404 5.314 1.00 0.00 H new ATOM 0 HB THR A 98 -9.482 18.791 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.535 18.673 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.946 16.837 6.473 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.783 16.561 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.513 15.819 6.749 1.00 0.00 H new ATOM 1452 N SER A 99 -6.441 19.641 5.346 1.00 0.00 N ATOM 1453 CA SER A 99 -5.758 20.930 5.336 1.00 0.00 C ATOM 1454 C SER A 99 -6.756 22.072 5.165 1.00 0.00 C ATOM 1455 O SER A 99 -6.508 23.021 4.423 1.00 0.00 O ATOM 1456 CB SER A 99 -4.720 20.972 4.213 1.00 0.00 C ATOM 1457 OG SER A 99 -3.759 21.987 4.445 1.00 0.00 O ATOM 0 H SER A 99 -6.512 19.195 4.432 1.00 0.00 H new ATOM 0 HA SER A 99 -5.252 21.053 6.294 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.222 20.005 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.218 21.149 3.260 1.00 0.00 H new ATOM 0 HG SER A 99 -4.213 22.849 4.552 1.00 0.00 H new