USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 688 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 70 THR OG1 : rot 120:sc= 0.614 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.583 X(o=0.032,f=-0.22) USER MOD Set 2.1: A 28 HIS : no HD1:sc= 0.471 K(o=0.58,f=-9.8!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.112 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.808 USER MOD Set 3.2: A 27 SER OG : rot 39:sc= 1.07 USER MOD Single : A 4 THR OG1 : rot 32:sc= 0.264 USER MOD Single : A 10 THR OG1 : rot 78:sc= 0.969 USER MOD Single : A 15 THR OG1 : rot 76:sc= 0.696 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.46 USER MOD Single : A 22 THR OG1 : rot -51:sc= 0.769 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= -0.126 (180deg=-0.487) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= 0.445 (180deg=-0.338) USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.236 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 65 ASN : amide:sc= 0.705 K(o=0.71,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.583) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.61 K(o=0.61,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ 138:sc= 0.191 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -7.195 -2.610 2.787 1.00 0.00 N ATOM 46 CA THR A 4 -5.720 -2.514 2.802 1.00 0.00 C ATOM 47 C THR A 4 -5.246 -1.289 1.988 1.00 0.00 C ATOM 48 O THR A 4 -4.380 -0.544 2.446 1.00 0.00 O ATOM 49 CB THR A 4 -5.062 -3.807 2.237 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.710 -4.958 2.797 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.551 -3.859 2.543 1.00 0.00 C ATOM 0 HA THR A 4 -5.410 -2.396 3.840 1.00 0.00 H new ATOM 0 HB THR A 4 -5.182 -3.801 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.653 -4.753 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.128 -4.776 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.058 -2.998 2.091 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.397 -3.840 3.622 1.00 0.00 H new ATOM 59 N PHE A 5 -5.872 -1.072 0.806 1.00 0.00 N ATOM 60 CA PHE A 5 -5.633 0.123 -0.034 1.00 0.00 C ATOM 61 C PHE A 5 -5.849 1.422 0.768 1.00 0.00 C ATOM 62 O PHE A 5 -4.986 2.298 0.757 1.00 0.00 O ATOM 63 CB PHE A 5 -6.546 0.121 -1.298 1.00 0.00 C ATOM 64 CG PHE A 5 -6.603 1.482 -2.027 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.478 1.998 -2.672 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.764 2.271 -1.996 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.513 3.248 -3.262 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.795 3.515 -2.600 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.667 4.004 -3.225 1.00 0.00 C ATOM 0 H PHE A 5 -6.554 -1.719 0.411 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.593 0.083 -0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.187 -0.638 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.556 -0.167 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.570 1.414 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.645 1.901 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.633 3.635 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.701 4.102 -2.582 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.687 4.980 -3.686 1.00 0.00 H new ATOM 79 N ASP A 6 -7.000 1.520 1.458 1.00 0.00 N ATOM 80 CA ASP A 6 -7.390 2.739 2.197 1.00 0.00 C ATOM 81 C ASP A 6 -6.382 3.045 3.307 1.00 0.00 C ATOM 82 O ASP A 6 -5.987 4.198 3.491 1.00 0.00 O ATOM 83 CB ASP A 6 -8.807 2.598 2.801 1.00 0.00 C ATOM 84 CG ASP A 6 -9.315 3.905 3.442 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.736 4.804 2.694 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.280 4.050 4.685 1.00 0.00 O ATOM 0 H ASP A 6 -7.682 0.764 1.520 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.398 3.565 1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.501 2.288 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.800 1.809 3.553 1.00 0.00 H new ATOM 91 N ARG A 7 -5.952 1.982 4.012 1.00 0.00 N ATOM 92 CA ARG A 7 -4.946 2.064 5.079 1.00 0.00 C ATOM 93 C ARG A 7 -3.619 2.642 4.547 1.00 0.00 C ATOM 94 O ARG A 7 -3.080 3.586 5.129 1.00 0.00 O ATOM 95 CB ARG A 7 -4.708 0.663 5.689 1.00 0.00 C ATOM 96 CG ARG A 7 -5.926 0.011 6.387 1.00 0.00 C ATOM 97 CD ARG A 7 -6.361 0.758 7.660 1.00 0.00 C ATOM 98 NE ARG A 7 -5.274 0.827 8.661 1.00 0.00 N ATOM 99 CZ ARG A 7 -5.068 1.838 9.511 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.843 2.916 9.508 1.00 0.00 N ATOM 101 NH2 ARG A 7 -4.058 1.772 10.354 1.00 0.00 N ATOM 0 H ARG A 7 -6.298 1.036 3.853 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.322 2.734 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.369 -0.004 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.896 0.737 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.762 -0.023 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.682 -1.020 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.677 1.768 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.225 0.257 8.097 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.629 0.038 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.617 2.986 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.665 3.674 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.445 0.957 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.889 2.536 11.008 1.00 0.00 H new ATOM 115 N VAL A 8 -3.143 2.102 3.403 1.00 0.00 N ATOM 116 CA VAL A 8 -1.857 2.495 2.786 1.00 0.00 C ATOM 117 C VAL A 8 -1.920 3.940 2.262 1.00 0.00 C ATOM 118 O VAL A 8 -1.002 4.727 2.497 1.00 0.00 O ATOM 119 CB VAL A 8 -1.481 1.530 1.600 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.175 1.965 0.881 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.365 0.078 2.097 1.00 0.00 C ATOM 0 H VAL A 8 -3.641 1.381 2.881 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.091 2.426 3.558 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.288 1.590 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.043 1.269 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.301 2.968 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.650 1.963 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.105 -0.573 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.590 0.016 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.318 -0.239 2.520 1.00 0.00 H new ATOM 131 N ALA A 9 -3.034 4.265 1.577 1.00 0.00 N ATOM 132 CA ALA A 9 -3.279 5.587 0.966 1.00 0.00 C ATOM 133 C ALA A 9 -3.272 6.684 2.043 1.00 0.00 C ATOM 134 O ALA A 9 -2.724 7.769 1.828 1.00 0.00 O ATOM 135 CB ALA A 9 -4.618 5.590 0.190 1.00 0.00 C ATOM 0 H ALA A 9 -3.800 3.608 1.430 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.477 5.794 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.780 6.573 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.583 4.838 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.435 5.361 0.874 1.00 0.00 H new ATOM 141 N THR A 10 -3.882 6.364 3.206 1.00 0.00 N ATOM 142 CA THR A 10 -3.890 7.236 4.393 1.00 0.00 C ATOM 143 C THR A 10 -2.461 7.451 4.941 1.00 0.00 C ATOM 144 O THR A 10 -2.086 8.580 5.228 1.00 0.00 O ATOM 145 CB THR A 10 -4.837 6.669 5.511 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.179 6.572 4.993 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.856 7.537 6.791 1.00 0.00 C ATOM 0 H THR A 10 -4.385 5.487 3.344 1.00 0.00 H new ATOM 0 HA THR A 10 -4.280 8.206 4.083 1.00 0.00 H new ATOM 0 HB THR A 10 -4.447 5.690 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.253 5.779 4.422 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.529 7.091 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.851 7.592 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.202 8.541 6.545 1.00 0.00 H new ATOM 155 N ILE A 11 -1.662 6.366 5.043 1.00 0.00 N ATOM 156 CA ILE A 11 -0.252 6.440 5.513 1.00 0.00 C ATOM 157 C ILE A 11 0.595 7.377 4.619 1.00 0.00 C ATOM 158 O ILE A 11 1.290 8.263 5.132 1.00 0.00 O ATOM 159 CB ILE A 11 0.407 5.006 5.576 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.353 4.106 6.602 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.918 5.087 5.920 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.021 2.638 6.581 1.00 0.00 C ATOM 0 H ILE A 11 -1.967 5.422 4.806 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.272 6.856 6.520 1.00 0.00 H new ATOM 0 HB ILE A 11 0.325 4.554 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.173 4.495 7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.423 4.194 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.338 4.082 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.434 5.670 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.045 5.567 6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.563 2.103 7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.187 2.224 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.083 2.530 6.804 1.00 0.00 H new ATOM 174 N ILE A 12 0.488 7.191 3.284 1.00 0.00 N ATOM 175 CA ILE A 12 1.191 8.024 2.280 1.00 0.00 C ATOM 176 C ILE A 12 0.791 9.503 2.449 1.00 0.00 C ATOM 177 O ILE A 12 1.646 10.397 2.456 1.00 0.00 O ATOM 178 CB ILE A 12 0.864 7.559 0.801 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.280 6.069 0.581 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.536 8.483 -0.257 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.035 5.525 -0.818 1.00 0.00 C ATOM 0 H ILE A 12 -0.089 6.458 2.871 1.00 0.00 H new ATOM 0 HA ILE A 12 2.262 7.906 2.447 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.215 7.639 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.340 5.967 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.738 5.449 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.288 8.131 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.174 9.503 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.618 8.463 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.357 4.485 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.028 5.587 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.600 6.113 -1.541 1.00 0.00 H new ATOM 193 N ALA A 13 -0.522 9.713 2.596 1.00 0.00 N ATOM 194 CA ALA A 13 -1.139 11.020 2.847 1.00 0.00 C ATOM 195 C ALA A 13 -0.548 11.760 4.061 1.00 0.00 C ATOM 196 O ALA A 13 -0.163 12.925 3.953 1.00 0.00 O ATOM 197 CB ALA A 13 -2.645 10.835 3.027 1.00 0.00 C ATOM 0 H ALA A 13 -1.204 8.956 2.542 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.926 11.646 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.111 11.803 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.068 10.397 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.832 10.173 3.873 1.00 0.00 H new ATOM 203 N GLU A 14 -0.496 11.066 5.206 1.00 0.00 N ATOM 204 CA GLU A 14 0.028 11.619 6.465 1.00 0.00 C ATOM 205 C GLU A 14 1.540 11.912 6.386 1.00 0.00 C ATOM 206 O GLU A 14 2.047 12.794 7.085 1.00 0.00 O ATOM 207 CB GLU A 14 -0.256 10.634 7.626 1.00 0.00 C ATOM 208 CG GLU A 14 -1.742 10.273 7.826 1.00 0.00 C ATOM 209 CD GLU A 14 -2.665 11.480 8.079 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.702 11.979 9.224 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.354 11.937 7.138 1.00 0.00 O ATOM 0 H GLU A 14 -0.817 10.101 5.287 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.480 12.566 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.305 9.716 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.125 11.067 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.095 9.741 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.826 9.585 8.668 1.00 0.00 H new ATOM 218 N THR A 15 2.248 11.155 5.531 1.00 0.00 N ATOM 219 CA THR A 15 3.691 11.319 5.328 1.00 0.00 C ATOM 220 C THR A 15 3.991 12.554 4.451 1.00 0.00 C ATOM 221 O THR A 15 4.776 13.417 4.846 1.00 0.00 O ATOM 222 CB THR A 15 4.312 10.037 4.683 1.00 0.00 C ATOM 223 OG1 THR A 15 4.102 8.908 5.550 1.00 0.00 O ATOM 224 CG2 THR A 15 5.817 10.187 4.413 1.00 0.00 C ATOM 0 H THR A 15 1.834 10.415 4.964 1.00 0.00 H new ATOM 0 HA THR A 15 4.147 11.472 6.306 1.00 0.00 H new ATOM 0 HB THR A 15 3.814 9.885 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.170 8.612 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.199 9.270 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.983 11.021 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.338 10.377 5.351 1.00 0.00 H new ATOM 232 N CYS A 16 3.336 12.651 3.281 1.00 0.00 N ATOM 233 CA CYS A 16 3.678 13.633 2.232 1.00 0.00 C ATOM 234 C CYS A 16 2.746 14.870 2.251 1.00 0.00 C ATOM 235 O CYS A 16 2.857 15.722 1.370 1.00 0.00 O ATOM 236 CB CYS A 16 3.588 12.917 0.861 1.00 0.00 C ATOM 237 SG CYS A 16 4.632 11.442 0.728 1.00 0.00 S ATOM 0 H CYS A 16 2.551 12.049 3.033 1.00 0.00 H new ATOM 0 HA CYS A 16 4.686 14.004 2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.552 12.633 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.869 13.620 0.077 1.00 0.00 H new ATOM 0 HG CYS A 16 4.487 10.913 -0.450 1.00 0.00 H new ATOM 243 N ASP A 17 1.868 14.966 3.278 1.00 0.00 N ATOM 244 CA ASP A 17 0.819 16.018 3.397 1.00 0.00 C ATOM 245 C ASP A 17 0.011 16.179 2.076 1.00 0.00 C ATOM 246 O ASP A 17 0.171 17.164 1.341 1.00 0.00 O ATOM 247 CB ASP A 17 1.427 17.370 3.900 1.00 0.00 C ATOM 248 CG ASP A 17 0.357 18.408 4.305 1.00 0.00 C ATOM 249 OD1 ASP A 17 -0.286 18.224 5.364 1.00 0.00 O ATOM 250 OD2 ASP A 17 0.131 19.394 3.564 1.00 0.00 O ATOM 0 H ASP A 17 1.865 14.309 4.058 1.00 0.00 H new ATOM 0 HA ASP A 17 0.105 15.693 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.074 17.174 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.054 17.793 3.115 1.00 0.00 H new ATOM 255 N ILE A 18 -0.821 15.162 1.768 1.00 0.00 N ATOM 256 CA ILE A 18 -1.637 15.097 0.523 1.00 0.00 C ATOM 257 C ILE A 18 -3.003 14.418 0.829 1.00 0.00 C ATOM 258 O ILE A 18 -3.067 13.569 1.710 1.00 0.00 O ATOM 259 CB ILE A 18 -0.889 14.313 -0.653 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.272 12.971 -0.137 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.187 15.196 -1.337 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.438 12.130 -1.190 1.00 0.00 C ATOM 0 H ILE A 18 -0.951 14.354 2.377 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.796 16.119 0.179 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.638 14.069 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.436 13.199 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.068 12.372 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.673 14.628 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.285 16.082 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.931 15.500 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.829 11.223 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.267 11.862 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.261 12.702 -1.619 1.00 0.00 H new ATOM 274 N PRO A 19 -4.126 14.819 0.148 1.00 0.00 N ATOM 275 CA PRO A 19 -5.456 14.164 0.320 1.00 0.00 C ATOM 276 C PRO A 19 -5.462 12.694 -0.205 1.00 0.00 C ATOM 277 O PRO A 19 -5.311 12.472 -1.400 1.00 0.00 O ATOM 278 CB PRO A 19 -6.407 15.083 -0.505 1.00 0.00 C ATOM 279 CG PRO A 19 -5.521 15.759 -1.504 1.00 0.00 C ATOM 280 CD PRO A 19 -4.196 15.958 -0.807 1.00 0.00 C ATOM 0 HA PRO A 19 -5.751 14.072 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.187 14.503 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.907 15.810 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.404 15.149 -2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.944 16.712 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.366 15.941 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.155 16.917 -0.290 1.00 0.00 H new ATOM 288 N ARG A 20 -5.687 11.706 0.702 1.00 0.00 N ATOM 289 CA ARG A 20 -5.529 10.250 0.404 1.00 0.00 C ATOM 290 C ARG A 20 -6.487 9.733 -0.682 1.00 0.00 C ATOM 291 O ARG A 20 -6.197 8.744 -1.352 1.00 0.00 O ATOM 292 CB ARG A 20 -5.647 9.389 1.714 1.00 0.00 C ATOM 293 CG ARG A 20 -7.024 9.306 2.455 1.00 0.00 C ATOM 294 CD ARG A 20 -8.010 8.263 1.853 1.00 0.00 C ATOM 295 NE ARG A 20 -8.835 7.578 2.867 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.029 7.985 3.325 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.534 9.167 3.003 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.703 7.190 4.132 1.00 0.00 N ATOM 0 H ARG A 20 -5.983 11.893 1.660 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.525 10.137 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.347 8.371 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.915 9.772 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.846 9.060 3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.495 10.289 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.666 8.764 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.442 7.518 1.295 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.462 6.712 3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.012 9.795 2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.444 9.449 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.315 6.285 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.612 7.480 4.491 1.00 0.00 H new ATOM 312 N GLU A 21 -7.610 10.428 -0.863 1.00 0.00 N ATOM 313 CA GLU A 21 -8.708 9.971 -1.729 1.00 0.00 C ATOM 314 C GLU A 21 -8.528 10.494 -3.166 1.00 0.00 C ATOM 315 O GLU A 21 -9.302 10.131 -4.055 1.00 0.00 O ATOM 316 CB GLU A 21 -10.108 10.345 -1.138 1.00 0.00 C ATOM 317 CG GLU A 21 -10.318 11.818 -0.709 1.00 0.00 C ATOM 318 CD GLU A 21 -9.577 12.208 0.587 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.827 11.583 1.636 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.743 13.121 0.565 1.00 0.00 O ATOM 0 H GLU A 21 -7.789 11.326 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.670 8.882 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.867 10.097 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.291 9.710 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.985 12.471 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.385 11.997 -0.573 1.00 0.00 H new ATOM 327 N THR A 22 -7.517 11.367 -3.389 1.00 0.00 N ATOM 328 CA THR A 22 -7.071 11.727 -4.752 1.00 0.00 C ATOM 329 C THR A 22 -5.981 10.744 -5.220 1.00 0.00 C ATOM 330 O THR A 22 -5.641 10.705 -6.413 1.00 0.00 O ATOM 331 CB THR A 22 -6.547 13.197 -4.837 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.405 13.362 -3.993 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.629 14.211 -4.431 1.00 0.00 C ATOM 0 H THR A 22 -6.998 11.832 -2.644 1.00 0.00 H new ATOM 0 HA THR A 22 -7.937 11.658 -5.410 1.00 0.00 H new ATOM 0 HB THR A 22 -6.273 13.386 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.612 13.031 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.226 15.221 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.487 14.114 -5.097 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.942 14.018 -3.405 1.00 0.00 H new ATOM 341 N ILE A 23 -5.441 9.945 -4.264 1.00 0.00 N ATOM 342 CA ILE A 23 -4.538 8.833 -4.570 1.00 0.00 C ATOM 343 C ILE A 23 -5.433 7.665 -5.037 1.00 0.00 C ATOM 344 O ILE A 23 -6.168 7.079 -4.234 1.00 0.00 O ATOM 345 CB ILE A 23 -3.631 8.404 -3.323 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.499 9.452 -3.006 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.009 7.005 -3.531 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.966 10.800 -2.500 1.00 0.00 C ATOM 0 H ILE A 23 -5.625 10.062 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.829 9.132 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.300 8.370 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.829 9.020 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.913 9.609 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.399 6.745 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.803 6.268 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.385 7.013 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.102 11.439 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.609 11.266 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.524 10.667 -1.573 1.00 0.00 H new ATOM 360 N THR A 24 -5.425 7.401 -6.352 1.00 0.00 N ATOM 361 CA THR A 24 -6.207 6.316 -6.966 1.00 0.00 C ATOM 362 C THR A 24 -5.508 4.957 -6.709 1.00 0.00 C ATOM 363 O THR A 24 -4.308 4.938 -6.405 1.00 0.00 O ATOM 364 CB THR A 24 -6.361 6.566 -8.514 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.078 6.534 -9.155 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.039 7.918 -8.819 1.00 0.00 C ATOM 0 H THR A 24 -4.874 7.936 -7.023 1.00 0.00 H new ATOM 0 HA THR A 24 -7.200 6.295 -6.518 1.00 0.00 H new ATOM 0 HB THR A 24 -6.995 5.769 -8.902 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.189 6.689 -10.116 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.124 8.047 -9.898 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.033 7.936 -8.372 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.440 8.728 -8.403 1.00 0.00 H new ATOM 374 N PRO A 25 -6.229 3.793 -6.813 1.00 0.00 N ATOM 375 CA PRO A 25 -5.583 2.460 -6.744 1.00 0.00 C ATOM 376 C PRO A 25 -4.598 2.227 -7.913 1.00 0.00 C ATOM 377 O PRO A 25 -3.722 1.374 -7.822 1.00 0.00 O ATOM 378 CB PRO A 25 -6.777 1.464 -6.755 1.00 0.00 C ATOM 379 CG PRO A 25 -7.913 2.236 -7.359 1.00 0.00 C ATOM 380 CD PRO A 25 -7.707 3.674 -6.943 1.00 0.00 C ATOM 0 HA PRO A 25 -4.962 2.342 -5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.546 0.575 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.020 1.126 -5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.916 2.141 -8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.873 1.861 -7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.101 4.367 -7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.211 3.895 -6.002 1.00 0.00 H new ATOM 388 N GLU A 26 -4.704 3.042 -8.989 1.00 0.00 N ATOM 389 CA GLU A 26 -3.811 2.946 -10.157 1.00 0.00 C ATOM 390 C GLU A 26 -2.700 4.025 -10.079 1.00 0.00 C ATOM 391 O GLU A 26 -1.937 4.197 -11.036 1.00 0.00 O ATOM 392 CB GLU A 26 -4.629 3.057 -11.476 1.00 0.00 C ATOM 393 CG GLU A 26 -5.409 4.379 -11.659 1.00 0.00 C ATOM 394 CD GLU A 26 -6.205 4.445 -12.980 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.601 4.715 -14.041 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.433 4.223 -12.965 1.00 0.00 O ATOM 0 H GLU A 26 -5.407 3.777 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.324 1.971 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.948 2.937 -12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.336 2.228 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.097 4.505 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.708 5.213 -11.624 1.00 0.00 H new ATOM 403 N SER A 27 -2.587 4.717 -8.913 1.00 0.00 N ATOM 404 CA SER A 27 -1.525 5.719 -8.682 1.00 0.00 C ATOM 405 C SER A 27 -0.178 5.023 -8.503 1.00 0.00 C ATOM 406 O SER A 27 -0.043 4.131 -7.663 1.00 0.00 O ATOM 407 CB SER A 27 -1.810 6.595 -7.433 1.00 0.00 C ATOM 408 OG SER A 27 -2.868 7.497 -7.661 1.00 0.00 O ATOM 0 H SER A 27 -3.221 4.595 -8.123 1.00 0.00 H new ATOM 0 HA SER A 27 -1.502 6.369 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.054 5.953 -6.586 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.911 7.149 -7.164 1.00 0.00 H new ATOM 0 HG SER A 27 -3.568 7.055 -8.185 1.00 0.00 H new ATOM 414 N HIS A 28 0.791 5.414 -9.325 1.00 0.00 N ATOM 415 CA HIS A 28 2.180 5.007 -9.164 1.00 0.00 C ATOM 416 C HIS A 28 2.839 5.947 -8.141 1.00 0.00 C ATOM 417 O HIS A 28 2.910 7.142 -8.394 1.00 0.00 O ATOM 418 CB HIS A 28 2.916 5.093 -10.510 1.00 0.00 C ATOM 419 CG HIS A 28 4.224 4.351 -10.525 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.319 4.767 -9.820 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.535 3.226 -11.174 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.265 3.883 -10.065 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.836 2.930 -10.886 1.00 0.00 N ATOM 0 H HIS A 28 0.632 6.026 -10.126 1.00 0.00 H new ATOM 0 HA HIS A 28 2.230 3.976 -8.814 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.272 4.694 -11.294 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.098 6.141 -10.749 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.877 2.654 -11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.262 3.927 -9.651 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.373 2.135 -11.232 1.00 0.00 H new ATOM 431 N ALA A 29 3.291 5.410 -7.000 1.00 0.00 N ATOM 432 CA ALA A 29 3.983 6.173 -5.939 1.00 0.00 C ATOM 433 C ALA A 29 5.092 7.108 -6.479 1.00 0.00 C ATOM 434 O ALA A 29 5.166 8.268 -6.092 1.00 0.00 O ATOM 435 CB ALA A 29 4.562 5.195 -4.903 1.00 0.00 C ATOM 0 H ALA A 29 3.187 4.419 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 29 3.242 6.823 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.073 5.755 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.754 4.610 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.270 4.525 -5.391 1.00 0.00 H new ATOM 441 N ILE A 30 5.880 6.627 -7.452 1.00 0.00 N ATOM 442 CA ILE A 30 7.094 7.332 -7.910 1.00 0.00 C ATOM 443 C ILE A 30 6.781 8.194 -9.158 1.00 0.00 C ATOM 444 O ILE A 30 7.077 9.388 -9.184 1.00 0.00 O ATOM 445 CB ILE A 30 8.261 6.308 -8.204 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.585 5.473 -6.917 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.533 7.010 -8.754 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.676 4.424 -7.086 1.00 0.00 C ATOM 0 H ILE A 30 5.700 5.750 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 30 7.428 7.997 -7.113 1.00 0.00 H new ATOM 0 HB ILE A 30 7.918 5.629 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.881 6.158 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.673 4.976 -6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.307 6.266 -8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.291 7.524 -9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.894 7.734 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.827 3.900 -6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.378 3.710 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.605 4.910 -7.384 1.00 0.00 H new ATOM 460 N ASP A 31 6.136 7.579 -10.162 1.00 0.00 N ATOM 461 CA ASP A 31 5.911 8.186 -11.497 1.00 0.00 C ATOM 462 C ASP A 31 4.684 9.133 -11.516 1.00 0.00 C ATOM 463 O ASP A 31 4.712 10.182 -12.167 1.00 0.00 O ATOM 464 CB ASP A 31 5.749 7.063 -12.563 1.00 0.00 C ATOM 465 CG ASP A 31 5.543 7.592 -13.997 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.524 8.070 -14.609 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.404 7.549 -14.514 1.00 0.00 O ATOM 0 H ASP A 31 5.750 6.639 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 31 6.783 8.795 -11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.634 6.426 -12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.899 6.436 -12.291 1.00 0.00 H new ATOM 472 N ASP A 32 3.616 8.751 -10.799 1.00 0.00 N ATOM 473 CA ASP A 32 2.333 9.502 -10.787 1.00 0.00 C ATOM 474 C ASP A 32 2.319 10.521 -9.630 1.00 0.00 C ATOM 475 O ASP A 32 2.159 11.721 -9.854 1.00 0.00 O ATOM 476 CB ASP A 32 1.143 8.510 -10.673 1.00 0.00 C ATOM 477 CG ASP A 32 -0.236 9.191 -10.604 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.765 9.579 -11.666 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.798 9.334 -9.491 1.00 0.00 O ATOM 0 H ASP A 32 3.608 7.918 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 32 2.232 10.055 -11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.162 7.836 -11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.279 7.897 -9.782 1.00 0.00 H new ATOM 484 N LEU A 33 2.512 10.021 -8.395 1.00 0.00 N ATOM 485 CA LEU A 33 2.492 10.836 -7.165 1.00 0.00 C ATOM 486 C LEU A 33 3.795 11.657 -6.992 1.00 0.00 C ATOM 487 O LEU A 33 3.856 12.532 -6.127 1.00 0.00 O ATOM 488 CB LEU A 33 2.256 9.924 -5.927 1.00 0.00 C ATOM 489 CG LEU A 33 0.937 9.078 -5.928 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.848 8.167 -4.680 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.311 9.981 -6.054 1.00 0.00 C ATOM 0 H LEU A 33 2.688 9.031 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 33 1.671 11.548 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.101 9.240 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.260 10.551 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 33 0.965 8.431 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.079 7.594 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.697 7.483 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.864 8.781 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.209 9.363 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.345 10.674 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.260 10.544 -6.986 1.00 0.00 H new ATOM 503 N GLY A 34 4.820 11.360 -7.826 1.00 0.00 N ATOM 504 CA GLY A 34 6.088 12.111 -7.837 1.00 0.00 C ATOM 505 C GLY A 34 6.900 11.981 -6.545 1.00 0.00 C ATOM 506 O GLY A 34 7.618 12.910 -6.160 1.00 0.00 O ATOM 0 H GLY A 34 4.787 10.598 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.696 11.765 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.873 13.165 -8.014 1.00 0.00 H new ATOM 510 N ILE A 35 6.776 10.832 -5.867 1.00 0.00 N ATOM 511 CA ILE A 35 7.492 10.561 -4.608 1.00 0.00 C ATOM 512 C ILE A 35 8.840 9.924 -4.942 1.00 0.00 C ATOM 513 O ILE A 35 8.883 8.934 -5.680 1.00 0.00 O ATOM 514 CB ILE A 35 6.665 9.588 -3.687 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.251 10.191 -3.390 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.428 9.264 -2.378 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.272 9.254 -2.702 1.00 0.00 C ATOM 0 H ILE A 35 6.178 10.064 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 35 7.634 11.498 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 35 6.529 8.647 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.376 11.078 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.811 10.521 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.829 8.590 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.378 8.787 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.614 10.186 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.325 9.770 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.107 8.377 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.681 8.942 -1.741 1.00 0.00 H new ATOM 529 N ASP A 36 9.934 10.507 -4.427 1.00 0.00 N ATOM 530 CA ASP A 36 11.301 9.963 -4.600 1.00 0.00 C ATOM 531 C ASP A 36 11.404 8.549 -3.999 1.00 0.00 C ATOM 532 O ASP A 36 10.740 8.262 -3.008 1.00 0.00 O ATOM 533 CB ASP A 36 12.337 10.887 -3.912 1.00 0.00 C ATOM 534 CG ASP A 36 12.272 12.341 -4.406 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.445 13.119 -3.881 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.027 12.709 -5.335 1.00 0.00 O ATOM 0 H ASP A 36 9.902 11.367 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 36 11.511 9.912 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.172 10.868 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.338 10.494 -4.088 1.00 0.00 H new ATOM 541 N SER A 37 12.249 7.689 -4.594 1.00 0.00 N ATOM 542 CA SER A 37 12.463 6.311 -4.104 1.00 0.00 C ATOM 543 C SER A 37 13.014 6.312 -2.655 1.00 0.00 C ATOM 544 O SER A 37 12.623 5.478 -1.827 1.00 0.00 O ATOM 545 CB SER A 37 13.422 5.568 -5.051 1.00 0.00 C ATOM 546 OG SER A 37 12.953 5.615 -6.389 1.00 0.00 O ATOM 0 H SER A 37 12.799 7.924 -5.420 1.00 0.00 H new ATOM 0 HA SER A 37 11.504 5.793 -4.090 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.414 6.015 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.521 4.530 -4.733 1.00 0.00 H new ATOM 0 HG SER A 37 13.580 5.138 -6.972 1.00 0.00 H new ATOM 552 N LEU A 38 13.871 7.313 -2.348 1.00 0.00 N ATOM 553 CA LEU A 38 14.488 7.468 -1.017 1.00 0.00 C ATOM 554 C LEU A 38 13.459 7.988 0.010 1.00 0.00 C ATOM 555 O LEU A 38 13.514 7.642 1.193 1.00 0.00 O ATOM 556 CB LEU A 38 15.771 8.363 -1.107 1.00 0.00 C ATOM 557 CG LEU A 38 15.692 9.744 -1.872 1.00 0.00 C ATOM 558 CD1 LEU A 38 14.951 10.841 -1.072 1.00 0.00 C ATOM 559 CD2 LEU A 38 17.109 10.227 -2.266 1.00 0.00 C ATOM 0 H LEU A 38 14.151 8.032 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 38 14.812 6.491 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.100 8.570 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.553 7.769 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 38 15.105 9.566 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.931 11.764 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.930 10.517 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.469 11.016 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.036 11.179 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.713 10.354 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.577 9.488 -2.917 1.00 0.00 H new ATOM 571 N ASP A 39 12.508 8.798 -0.481 1.00 0.00 N ATOM 572 CA ASP A 39 11.397 9.335 0.330 1.00 0.00 C ATOM 573 C ASP A 39 10.390 8.211 0.629 1.00 0.00 C ATOM 574 O ASP A 39 9.827 8.132 1.727 1.00 0.00 O ATOM 575 CB ASP A 39 10.702 10.502 -0.430 1.00 0.00 C ATOM 576 CG ASP A 39 9.647 11.247 0.410 1.00 0.00 C ATOM 577 OD1 ASP A 39 8.479 10.794 0.485 1.00 0.00 O ATOM 578 OD2 ASP A 39 9.978 12.293 1.005 1.00 0.00 O ATOM 0 H ASP A 39 12.485 9.102 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 39 11.787 9.720 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.460 11.213 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.226 10.107 -1.327 1.00 0.00 H new ATOM 583 N PHE A 40 10.216 7.320 -0.365 1.00 0.00 N ATOM 584 CA PHE A 40 9.272 6.205 -0.303 1.00 0.00 C ATOM 585 C PHE A 40 9.763 5.114 0.679 1.00 0.00 C ATOM 586 O PHE A 40 8.957 4.309 1.159 1.00 0.00 O ATOM 587 CB PHE A 40 9.038 5.623 -1.722 1.00 0.00 C ATOM 588 CG PHE A 40 7.923 4.578 -1.775 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.593 4.958 -1.593 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.200 3.223 -1.967 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.580 4.022 -1.592 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.178 2.291 -1.973 1.00 0.00 C ATOM 593 CZ PHE A 40 5.873 2.690 -1.787 1.00 0.00 C ATOM 0 H PHE A 40 10.737 7.361 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 40 8.320 6.577 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.795 6.437 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.964 5.173 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.353 6.001 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.220 2.900 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.557 4.333 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.404 1.246 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.079 1.958 -1.794 1.00 0.00 H new ATOM 603 N LEU A 41 11.088 5.086 0.960 1.00 0.00 N ATOM 604 CA LEU A 41 11.663 4.229 2.033 1.00 0.00 C ATOM 605 C LEU A 41 10.996 4.546 3.393 1.00 0.00 C ATOM 606 O LEU A 41 10.669 3.638 4.166 1.00 0.00 O ATOM 607 CB LEU A 41 13.203 4.432 2.165 1.00 0.00 C ATOM 608 CG LEU A 41 14.063 4.173 0.887 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.570 4.333 1.187 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.762 2.800 0.259 1.00 0.00 C ATOM 0 H LEU A 41 11.780 5.645 0.461 1.00 0.00 H new ATOM 0 HA LEU A 41 11.469 3.193 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.383 5.456 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.565 3.775 2.956 1.00 0.00 H new ATOM 0 HG LEU A 41 13.784 4.929 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.144 4.147 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.765 5.346 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.866 3.619 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.382 2.661 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.981 2.014 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.710 2.752 -0.023 1.00 0.00 H new ATOM 622 N ASP A 42 10.792 5.856 3.644 1.00 0.00 N ATOM 623 CA ASP A 42 10.175 6.376 4.885 1.00 0.00 C ATOM 624 C ASP A 42 8.665 6.127 4.908 1.00 0.00 C ATOM 625 O ASP A 42 8.086 5.924 5.982 1.00 0.00 O ATOM 626 CB ASP A 42 10.474 7.884 5.056 1.00 0.00 C ATOM 627 CG ASP A 42 11.969 8.160 5.243 1.00 0.00 C ATOM 628 OD1 ASP A 42 12.451 8.069 6.397 1.00 0.00 O ATOM 629 OD2 ASP A 42 12.672 8.430 4.248 1.00 0.00 O ATOM 0 H ASP A 42 11.053 6.590 2.986 1.00 0.00 H new ATOM 0 HA ASP A 42 10.617 5.835 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.113 8.426 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.925 8.266 5.917 1.00 0.00 H new ATOM 634 N ILE A 43 8.025 6.152 3.725 1.00 0.00 N ATOM 635 CA ILE A 43 6.596 5.810 3.596 1.00 0.00 C ATOM 636 C ILE A 43 6.386 4.324 3.949 1.00 0.00 C ATOM 637 O ILE A 43 5.513 3.994 4.749 1.00 0.00 O ATOM 638 CB ILE A 43 6.049 6.109 2.154 1.00 0.00 C ATOM 639 CG1 ILE A 43 6.187 7.630 1.823 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.586 5.626 1.987 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.582 8.066 0.505 1.00 0.00 C ATOM 0 H ILE A 43 8.474 6.405 2.845 1.00 0.00 H new ATOM 0 HA ILE A 43 6.036 6.436 4.291 1.00 0.00 H new ATOM 0 HB ILE A 43 6.653 5.548 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.720 8.203 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.246 7.889 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.242 5.850 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.536 4.551 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.949 6.137 2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.732 9.137 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.063 7.528 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.514 7.847 0.504 1.00 0.00 H new ATOM 653 N ALA A 44 7.251 3.460 3.385 1.00 0.00 N ATOM 654 CA ALA A 44 7.194 1.997 3.573 1.00 0.00 C ATOM 655 C ALA A 44 7.567 1.607 5.017 1.00 0.00 C ATOM 656 O ALA A 44 7.134 0.579 5.520 1.00 0.00 O ATOM 657 CB ALA A 44 8.122 1.309 2.559 1.00 0.00 C ATOM 0 H ALA A 44 8.016 3.760 2.781 1.00 0.00 H new ATOM 0 HA ALA A 44 6.172 1.661 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.078 0.229 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.802 1.556 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.145 1.653 2.710 1.00 0.00 H new ATOM 663 N PHE A 45 8.414 2.437 5.637 1.00 0.00 N ATOM 664 CA PHE A 45 8.750 2.387 7.078 1.00 0.00 C ATOM 665 C PHE A 45 7.479 2.540 7.943 1.00 0.00 C ATOM 666 O PHE A 45 7.208 1.728 8.849 1.00 0.00 O ATOM 667 CB PHE A 45 9.777 3.514 7.358 1.00 0.00 C ATOM 668 CG PHE A 45 10.131 3.813 8.821 1.00 0.00 C ATOM 669 CD1 PHE A 45 9.383 4.731 9.567 1.00 0.00 C ATOM 670 CD2 PHE A 45 11.233 3.221 9.431 1.00 0.00 C ATOM 671 CE1 PHE A 45 9.718 5.026 10.870 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.568 3.526 10.736 1.00 0.00 C ATOM 673 CZ PHE A 45 10.814 4.428 11.453 1.00 0.00 C ATOM 0 H PHE A 45 8.901 3.185 5.143 1.00 0.00 H new ATOM 0 HA PHE A 45 9.184 1.422 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.700 3.264 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.396 4.432 6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.530 5.215 9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.834 2.515 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.121 5.727 11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.424 3.055 11.196 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.082 4.667 12.472 1.00 0.00 H new ATOM 683 N ALA A 46 6.700 3.589 7.632 1.00 0.00 N ATOM 684 CA ALA A 46 5.444 3.896 8.334 1.00 0.00 C ATOM 685 C ALA A 46 4.375 2.821 8.044 1.00 0.00 C ATOM 686 O ALA A 46 3.558 2.511 8.910 1.00 0.00 O ATOM 687 CB ALA A 46 4.946 5.292 7.935 1.00 0.00 C ATOM 0 H ALA A 46 6.924 4.248 6.886 1.00 0.00 H new ATOM 0 HA ALA A 46 5.634 3.891 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.016 5.510 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.696 6.036 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.772 5.322 6.859 1.00 0.00 H new ATOM 693 N ILE A 47 4.406 2.262 6.818 1.00 0.00 N ATOM 694 CA ILE A 47 3.491 1.183 6.399 1.00 0.00 C ATOM 695 C ILE A 47 3.781 -0.115 7.175 1.00 0.00 C ATOM 696 O ILE A 47 2.870 -0.699 7.761 1.00 0.00 O ATOM 697 CB ILE A 47 3.583 0.905 4.845 1.00 0.00 C ATOM 698 CG1 ILE A 47 3.070 2.126 4.015 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.812 -0.376 4.443 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.238 1.996 2.502 1.00 0.00 C ATOM 0 H ILE A 47 5.065 2.545 6.092 1.00 0.00 H new ATOM 0 HA ILE A 47 2.479 1.519 6.626 1.00 0.00 H new ATOM 0 HB ILE A 47 4.637 0.750 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.014 2.278 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.597 3.020 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.900 -0.531 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.232 -1.233 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.761 -0.266 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.853 2.892 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.295 1.878 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.686 1.125 2.148 1.00 0.00 H new ATOM 712 N ASP A 48 5.060 -0.534 7.186 1.00 0.00 N ATOM 713 CA ASP A 48 5.470 -1.853 7.705 1.00 0.00 C ATOM 714 C ASP A 48 5.148 -1.961 9.205 1.00 0.00 C ATOM 715 O ASP A 48 4.729 -3.008 9.680 1.00 0.00 O ATOM 716 CB ASP A 48 6.981 -2.178 7.381 1.00 0.00 C ATOM 717 CG ASP A 48 8.050 -1.655 8.382 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.239 -2.263 9.454 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.724 -0.657 8.086 1.00 0.00 O ATOM 0 H ASP A 48 5.836 0.029 6.837 1.00 0.00 H new ATOM 0 HA ASP A 48 4.889 -2.617 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.086 -3.261 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.211 -1.770 6.397 1.00 0.00 H new ATOM 724 N LYS A 49 5.325 -0.846 9.934 1.00 0.00 N ATOM 725 CA LYS A 49 5.059 -0.787 11.387 1.00 0.00 C ATOM 726 C LYS A 49 3.570 -0.589 11.701 1.00 0.00 C ATOM 727 O LYS A 49 3.111 -1.027 12.762 1.00 0.00 O ATOM 728 CB LYS A 49 5.946 0.310 12.013 1.00 0.00 C ATOM 729 CG LYS A 49 7.437 -0.052 11.903 1.00 0.00 C ATOM 730 CD LYS A 49 8.393 1.100 12.234 1.00 0.00 C ATOM 731 CE LYS A 49 9.855 0.690 12.000 1.00 0.00 C ATOM 732 NZ LYS A 49 10.067 0.149 10.627 1.00 0.00 N ATOM 0 H LYS A 49 5.654 0.035 9.539 1.00 0.00 H new ATOM 0 HA LYS A 49 5.318 -1.747 11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.762 1.260 11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.678 0.445 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.647 -0.886 12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.641 -0.398 10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.152 1.966 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.258 1.401 13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.503 1.553 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.144 -0.061 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.009 0.427 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.999 -0.889 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.341 0.531 9.988 1.00 0.00 H new ATOM 746 N ALA A 50 2.827 0.080 10.790 1.00 0.00 N ATOM 747 CA ALA A 50 1.354 0.215 10.903 1.00 0.00 C ATOM 748 C ALA A 50 0.651 -1.148 10.795 1.00 0.00 C ATOM 749 O ALA A 50 -0.221 -1.470 11.600 1.00 0.00 O ATOM 750 CB ALA A 50 0.810 1.172 9.828 1.00 0.00 C ATOM 0 H ALA A 50 3.222 0.536 9.967 1.00 0.00 H new ATOM 0 HA ALA A 50 1.142 0.630 11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.272 1.256 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.264 2.155 9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.052 0.784 8.839 1.00 0.00 H new ATOM 756 N PHE A 51 1.034 -1.929 9.775 1.00 0.00 N ATOM 757 CA PHE A 51 0.454 -3.261 9.505 1.00 0.00 C ATOM 758 C PHE A 51 1.112 -4.356 10.363 1.00 0.00 C ATOM 759 O PHE A 51 0.541 -5.435 10.503 1.00 0.00 O ATOM 760 CB PHE A 51 0.580 -3.612 8.003 1.00 0.00 C ATOM 761 CG PHE A 51 -0.325 -2.783 7.093 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.631 -3.194 6.825 1.00 0.00 C ATOM 763 CD2 PHE A 51 0.129 -1.614 6.491 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.446 -2.460 5.991 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.691 -0.880 5.663 1.00 0.00 C ATOM 766 CZ PHE A 51 -1.972 -1.309 5.408 1.00 0.00 C ATOM 0 H PHE A 51 1.757 -1.657 9.109 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.601 -3.218 9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.616 -3.472 7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.346 -4.668 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.008 -4.099 7.277 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.138 -1.277 6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.456 -2.789 5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.328 0.033 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.608 -0.739 4.747 1.00 0.00 H new ATOM 776 N GLY A 52 2.290 -4.059 10.947 1.00 0.00 N ATOM 777 CA GLY A 52 3.061 -5.052 11.707 1.00 0.00 C ATOM 778 C GLY A 52 3.629 -6.157 10.818 1.00 0.00 C ATOM 779 O GLY A 52 3.637 -7.332 11.194 1.00 0.00 O ATOM 0 H GLY A 52 2.725 -3.137 10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.878 -4.552 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.422 -5.496 12.470 1.00 0.00 H new ATOM 783 N ILE A 53 4.059 -5.756 9.610 1.00 0.00 N ATOM 784 CA ILE A 53 4.644 -6.647 8.592 1.00 0.00 C ATOM 785 C ILE A 53 6.107 -6.272 8.306 1.00 0.00 C ATOM 786 O ILE A 53 6.609 -5.256 8.796 1.00 0.00 O ATOM 787 CB ILE A 53 3.821 -6.596 7.247 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.768 -5.145 6.656 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.396 -7.144 7.468 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.173 -5.049 5.268 1.00 0.00 C ATOM 0 H ILE A 53 4.009 -4.783 9.307 1.00 0.00 H new ATOM 0 HA ILE A 53 4.606 -7.660 8.992 1.00 0.00 H new ATOM 0 HB ILE A 53 4.333 -7.228 6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.188 -4.514 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.780 -4.740 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.841 -7.102 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.453 -8.177 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.886 -6.540 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.177 -4.009 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.764 -5.649 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.148 -5.419 5.285 1.00 0.00 H new ATOM 802 N LYS A 54 6.775 -7.118 7.503 1.00 0.00 N ATOM 803 CA LYS A 54 8.144 -6.894 7.016 1.00 0.00 C ATOM 804 C LYS A 54 8.098 -6.743 5.492 1.00 0.00 C ATOM 805 O LYS A 54 8.000 -7.742 4.774 1.00 0.00 O ATOM 806 CB LYS A 54 9.093 -8.068 7.433 1.00 0.00 C ATOM 807 CG LYS A 54 9.234 -8.249 8.961 1.00 0.00 C ATOM 808 CD LYS A 54 10.246 -9.349 9.352 1.00 0.00 C ATOM 809 CE LYS A 54 10.395 -9.506 10.881 1.00 0.00 C ATOM 810 NZ LYS A 54 11.366 -10.569 11.244 1.00 0.00 N ATOM 0 H LYS A 54 6.370 -7.992 7.169 1.00 0.00 H new ATOM 0 HA LYS A 54 8.546 -5.986 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.718 -8.996 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.080 -7.893 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.545 -7.304 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.259 -8.494 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.928 -10.299 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.218 -9.113 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.718 -8.558 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.424 -9.739 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.433 -10.639 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.046 -11.479 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.300 -10.335 10.851 1.00 0.00 H new ATOM 824 N LEU A 55 8.093 -5.488 5.015 1.00 0.00 N ATOM 825 CA LEU A 55 8.166 -5.176 3.582 1.00 0.00 C ATOM 826 C LEU A 55 9.587 -5.437 3.057 1.00 0.00 C ATOM 827 O LEU A 55 10.532 -4.821 3.557 1.00 0.00 O ATOM 828 CB LEU A 55 7.780 -3.692 3.320 1.00 0.00 C ATOM 829 CG LEU A 55 6.277 -3.328 3.518 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.042 -1.812 3.332 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.387 -4.145 2.552 1.00 0.00 C ATOM 0 H LEU A 55 8.038 -4.663 5.613 1.00 0.00 H new ATOM 0 HA LEU A 55 7.460 -5.820 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.375 -3.061 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.062 -3.440 2.298 1.00 0.00 H new ATOM 0 HG LEU A 55 6.000 -3.585 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.985 -1.587 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.633 -1.260 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.342 -1.518 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.342 -3.877 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.670 -3.926 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.521 -5.209 2.746 1.00 0.00 H new ATOM 843 N PRO A 56 9.772 -6.347 2.051 1.00 0.00 N ATOM 844 CA PRO A 56 11.058 -6.497 1.333 1.00 0.00 C ATOM 845 C PRO A 56 11.210 -5.409 0.243 1.00 0.00 C ATOM 846 O PRO A 56 11.422 -5.711 -0.935 1.00 0.00 O ATOM 847 CB PRO A 56 10.950 -7.927 0.752 1.00 0.00 C ATOM 848 CG PRO A 56 9.488 -8.124 0.497 1.00 0.00 C ATOM 849 CD PRO A 56 8.754 -7.318 1.556 1.00 0.00 C ATOM 0 HA PRO A 56 11.942 -6.371 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.529 -8.026 -0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.333 -8.669 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.219 -7.786 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.222 -9.179 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.887 -6.807 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.389 -7.957 2.360 1.00 0.00 H new ATOM 857 N LEU A 57 11.142 -4.137 0.689 1.00 0.00 N ATOM 858 CA LEU A 57 11.125 -2.945 -0.185 1.00 0.00 C ATOM 859 C LEU A 57 12.452 -2.848 -0.962 1.00 0.00 C ATOM 860 O LEU A 57 12.451 -2.544 -2.154 1.00 0.00 O ATOM 861 CB LEU A 57 10.861 -1.655 0.682 1.00 0.00 C ATOM 862 CG LEU A 57 10.264 -0.382 -0.033 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.249 0.301 -1.005 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.931 -0.721 -0.727 1.00 0.00 C ATOM 0 H LEU A 57 11.097 -3.906 1.681 1.00 0.00 H new ATOM 0 HA LEU A 57 10.319 -3.031 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.183 -1.931 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.805 -1.365 1.143 1.00 0.00 H new ATOM 0 HG LEU A 57 10.074 0.350 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.770 1.168 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.136 0.622 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.538 -0.404 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.537 0.171 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.097 -1.498 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.215 -1.076 0.014 1.00 0.00 H new ATOM 876 N GLU A 58 13.573 -3.138 -0.269 1.00 0.00 N ATOM 877 CA GLU A 58 14.924 -3.136 -0.866 1.00 0.00 C ATOM 878 C GLU A 58 15.053 -4.207 -1.968 1.00 0.00 C ATOM 879 O GLU A 58 15.693 -3.973 -2.992 1.00 0.00 O ATOM 880 CB GLU A 58 16.008 -3.362 0.224 1.00 0.00 C ATOM 881 CG GLU A 58 15.900 -4.713 0.968 1.00 0.00 C ATOM 882 CD GLU A 58 17.058 -4.968 1.940 1.00 0.00 C ATOM 883 OE1 GLU A 58 18.121 -5.458 1.501 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.912 -4.686 3.150 1.00 0.00 O ATOM 0 H GLU A 58 13.566 -3.380 0.722 1.00 0.00 H new ATOM 0 HA GLU A 58 15.079 -2.158 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.992 -3.296 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.945 -2.554 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.960 -4.742 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.865 -5.520 0.236 1.00 0.00 H new ATOM 891 N LYS A 59 14.421 -5.375 -1.739 1.00 0.00 N ATOM 892 CA LYS A 59 14.457 -6.522 -2.662 1.00 0.00 C ATOM 893 C LYS A 59 13.634 -6.216 -3.922 1.00 0.00 C ATOM 894 O LYS A 59 14.030 -6.575 -5.036 1.00 0.00 O ATOM 895 CB LYS A 59 13.914 -7.780 -1.929 1.00 0.00 C ATOM 896 CG LYS A 59 14.082 -9.117 -2.676 1.00 0.00 C ATOM 897 CD LYS A 59 15.563 -9.435 -2.995 1.00 0.00 C ATOM 898 CE LYS A 59 15.769 -10.884 -3.460 1.00 0.00 C ATOM 899 NZ LYS A 59 14.951 -11.240 -4.650 1.00 0.00 N ATOM 0 H LYS A 59 13.867 -5.548 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 59 15.483 -6.712 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.415 -7.859 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.854 -7.630 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.663 -9.922 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.512 -9.085 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.918 -8.755 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.169 -9.252 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.823 -11.038 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.521 -11.560 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.341 -12.051 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.361 -10.428 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.579 -11.491 -5.440 1.00 0.00 H new ATOM 913 N TRP A 60 12.498 -5.517 -3.718 1.00 0.00 N ATOM 914 CA TRP A 60 11.623 -5.059 -4.808 1.00 0.00 C ATOM 915 C TRP A 60 12.370 -4.063 -5.692 1.00 0.00 C ATOM 916 O TRP A 60 12.491 -4.273 -6.889 1.00 0.00 O ATOM 917 CB TRP A 60 10.324 -4.421 -4.252 1.00 0.00 C ATOM 918 CG TRP A 60 9.428 -5.380 -3.509 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.449 -6.752 -3.553 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.352 -5.027 -2.636 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.461 -7.261 -2.760 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.777 -6.225 -2.182 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.827 -3.817 -2.188 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.698 -6.248 -1.316 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.757 -3.837 -1.316 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.199 -5.050 -0.886 1.00 0.00 C ATOM 0 H TRP A 60 12.165 -5.256 -2.790 1.00 0.00 H new ATOM 0 HA TRP A 60 11.340 -5.925 -5.407 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.593 -3.602 -3.584 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.764 -3.987 -5.080 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.145 -7.342 -4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.264 -8.252 -2.621 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.250 -2.879 -2.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.264 -7.182 -0.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.343 -2.905 -0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.362 -5.037 -0.204 1.00 0.00 H new ATOM 937 N THR A 61 12.936 -3.029 -5.050 1.00 0.00 N ATOM 938 CA THR A 61 13.673 -1.944 -5.721 1.00 0.00 C ATOM 939 C THR A 61 14.925 -2.494 -6.448 1.00 0.00 C ATOM 940 O THR A 61 15.275 -2.027 -7.536 1.00 0.00 O ATOM 941 CB THR A 61 14.075 -0.839 -4.684 1.00 0.00 C ATOM 942 OG1 THR A 61 12.902 -0.370 -4.004 1.00 0.00 O ATOM 943 CG2 THR A 61 14.792 0.359 -5.333 1.00 0.00 C ATOM 0 H THR A 61 12.895 -2.921 -4.037 1.00 0.00 H new ATOM 0 HA THR A 61 13.020 -1.497 -6.470 1.00 0.00 H new ATOM 0 HB THR A 61 14.774 -1.299 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.564 -1.073 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.045 1.091 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.704 0.016 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.135 0.820 -6.071 1.00 0.00 H new ATOM 951 N GLN A 62 15.536 -3.545 -5.864 1.00 0.00 N ATOM 952 CA GLN A 62 16.716 -4.218 -6.435 1.00 0.00 C ATOM 953 C GLN A 62 16.351 -4.853 -7.789 1.00 0.00 C ATOM 954 O GLN A 62 16.910 -4.484 -8.819 1.00 0.00 O ATOM 955 CB GLN A 62 17.249 -5.302 -5.448 1.00 0.00 C ATOM 956 CG GLN A 62 18.384 -6.191 -6.003 1.00 0.00 C ATOM 957 CD GLN A 62 18.744 -7.357 -5.074 1.00 0.00 C ATOM 958 OE1 GLN A 62 18.158 -8.438 -5.164 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.711 -7.156 -4.194 1.00 0.00 N ATOM 0 H GLN A 62 15.223 -3.950 -4.982 1.00 0.00 H new ATOM 0 HA GLN A 62 17.504 -3.482 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.605 -4.806 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.418 -5.943 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.086 -6.587 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.270 -5.578 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.176 -6.249 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.992 -7.908 -3.564 1.00 0.00 H new ATOM 968 N GLU A 63 15.354 -5.759 -7.760 1.00 0.00 N ATOM 969 CA GLU A 63 14.915 -6.536 -8.935 1.00 0.00 C ATOM 970 C GLU A 63 14.285 -5.634 -10.016 1.00 0.00 C ATOM 971 O GLU A 63 14.421 -5.908 -11.212 1.00 0.00 O ATOM 972 CB GLU A 63 13.923 -7.633 -8.494 1.00 0.00 C ATOM 973 CG GLU A 63 14.534 -8.677 -7.546 1.00 0.00 C ATOM 974 CD GLU A 63 13.531 -9.765 -7.153 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.275 -10.677 -7.968 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.978 -9.707 -6.034 1.00 0.00 O ATOM 0 H GLU A 63 14.827 -5.974 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 63 15.794 -7.003 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.071 -7.163 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.539 -8.140 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.397 -9.138 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.897 -8.179 -6.647 1.00 0.00 H new ATOM 983 N VAL A 64 13.626 -4.553 -9.576 1.00 0.00 N ATOM 984 CA VAL A 64 13.043 -3.537 -10.463 1.00 0.00 C ATOM 985 C VAL A 64 14.150 -2.865 -11.302 1.00 0.00 C ATOM 986 O VAL A 64 14.110 -2.897 -12.534 1.00 0.00 O ATOM 987 CB VAL A 64 12.199 -2.470 -9.642 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.005 -1.145 -10.417 1.00 0.00 C ATOM 989 CG2 VAL A 64 10.821 -3.064 -9.235 1.00 0.00 C ATOM 0 H VAL A 64 13.481 -4.358 -8.585 1.00 0.00 H new ATOM 0 HA VAL A 64 12.352 -4.030 -11.147 1.00 0.00 H new ATOM 0 HB VAL A 64 12.770 -2.236 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.422 -0.451 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.978 -0.706 -10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.478 -1.343 -11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.256 -2.320 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.266 -3.342 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.974 -3.947 -8.615 1.00 0.00 H new ATOM 999 N ASN A 65 15.169 -2.322 -10.625 1.00 0.00 N ATOM 1000 CA ASN A 65 16.287 -1.622 -11.291 1.00 0.00 C ATOM 1001 C ASN A 65 17.313 -2.614 -11.884 1.00 0.00 C ATOM 1002 O ASN A 65 18.234 -2.195 -12.585 1.00 0.00 O ATOM 1003 CB ASN A 65 16.966 -0.623 -10.313 1.00 0.00 C ATOM 1004 CG ASN A 65 16.087 0.601 -10.018 1.00 0.00 C ATOM 1005 OD1 ASN A 65 16.115 1.587 -10.756 1.00 0.00 O ATOM 1006 ND2 ASN A 65 15.325 0.562 -8.937 1.00 0.00 N ATOM 0 H ASN A 65 15.247 -2.352 -9.608 1.00 0.00 H new ATOM 0 HA ASN A 65 15.874 -1.055 -12.126 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.196 -1.134 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.914 -0.292 -10.737 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.740 1.362 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.322 -0.268 -8.345 1.00 0.00 H new ATOM 1013 N ASP A 66 17.158 -3.923 -11.592 1.00 0.00 N ATOM 1014 CA ASP A 66 18.000 -4.995 -12.179 1.00 0.00 C ATOM 1015 C ASP A 66 17.338 -5.576 -13.458 1.00 0.00 C ATOM 1016 O ASP A 66 17.921 -6.421 -14.144 1.00 0.00 O ATOM 1017 CB ASP A 66 18.221 -6.107 -11.110 1.00 0.00 C ATOM 1018 CG ASP A 66 19.233 -7.188 -11.518 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.455 -6.967 -11.370 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.814 -8.261 -11.995 1.00 0.00 O ATOM 0 H ASP A 66 16.449 -4.269 -10.945 1.00 0.00 H new ATOM 0 HA ASP A 66 18.965 -4.581 -12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.559 -5.642 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.264 -6.584 -10.897 1.00 0.00 H new ATOM 1025 N GLY A 67 16.123 -5.084 -13.790 1.00 0.00 N ATOM 1026 CA GLY A 67 15.367 -5.565 -14.956 1.00 0.00 C ATOM 1027 C GLY A 67 14.650 -6.909 -14.781 1.00 0.00 C ATOM 1028 O GLY A 67 14.093 -7.431 -15.752 1.00 0.00 O ATOM 0 H GLY A 67 15.649 -4.352 -13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.625 -4.811 -15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.052 -5.648 -15.800 1.00 0.00 H new ATOM 1032 N LYS A 68 14.673 -7.487 -13.562 1.00 0.00 N ATOM 1033 CA LYS A 68 13.873 -8.689 -13.238 1.00 0.00 C ATOM 1034 C LYS A 68 12.376 -8.333 -13.176 1.00 0.00 C ATOM 1035 O LYS A 68 11.513 -9.156 -13.493 1.00 0.00 O ATOM 1036 CB LYS A 68 14.311 -9.291 -11.886 1.00 0.00 C ATOM 1037 CG LYS A 68 15.720 -9.907 -11.872 1.00 0.00 C ATOM 1038 CD LYS A 68 16.035 -10.563 -10.507 1.00 0.00 C ATOM 1039 CE LYS A 68 17.282 -11.444 -10.541 1.00 0.00 C ATOM 1040 NZ LYS A 68 18.529 -10.667 -10.706 1.00 0.00 N ATOM 0 H LYS A 68 15.237 -7.141 -12.785 1.00 0.00 H new ATOM 0 HA LYS A 68 14.039 -9.426 -14.024 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.265 -8.511 -11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.593 -10.059 -11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.801 -10.653 -12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.459 -9.134 -12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.169 -9.783 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.181 -11.164 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.339 -12.021 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.194 -12.159 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.259 -11.270 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.349 -9.848 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.857 -10.336 -9.776 1.00 0.00 H new ATOM 1054 N ALA A 69 12.098 -7.093 -12.761 1.00 0.00 N ATOM 1055 CA ALA A 69 10.741 -6.554 -12.615 1.00 0.00 C ATOM 1056 C ALA A 69 10.727 -5.104 -13.120 1.00 0.00 C ATOM 1057 O ALA A 69 11.788 -4.495 -13.309 1.00 0.00 O ATOM 1058 CB ALA A 69 10.292 -6.639 -11.140 1.00 0.00 C ATOM 0 H ALA A 69 12.825 -6.422 -12.512 1.00 0.00 H new ATOM 0 HA ALA A 69 10.039 -7.141 -13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.284 -6.236 -11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.300 -7.680 -10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.975 -6.061 -10.518 1.00 0.00 H new ATOM 1064 N THR A 70 9.534 -4.577 -13.383 1.00 0.00 N ATOM 1065 CA THR A 70 9.329 -3.156 -13.712 1.00 0.00 C ATOM 1066 C THR A 70 8.723 -2.426 -12.499 1.00 0.00 C ATOM 1067 O THR A 70 8.188 -3.074 -11.584 1.00 0.00 O ATOM 1068 CB THR A 70 8.432 -3.016 -14.984 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.306 -3.887 -14.888 1.00 0.00 O ATOM 1070 CG2 THR A 70 9.195 -3.336 -16.277 1.00 0.00 C ATOM 0 H THR A 70 8.672 -5.122 -13.376 1.00 0.00 H new ATOM 0 HA THR A 70 10.288 -2.691 -13.940 1.00 0.00 H new ATOM 0 HB THR A 70 8.109 -1.976 -15.029 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.481 -3.360 -14.921 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.527 -3.224 -17.131 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.036 -2.651 -16.382 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.564 -4.361 -16.237 1.00 0.00 H new ATOM 1078 N THR A 71 8.817 -1.078 -12.501 1.00 0.00 N ATOM 1079 CA THR A 71 8.505 -0.244 -11.321 1.00 0.00 C ATOM 1080 C THR A 71 7.048 -0.431 -10.838 1.00 0.00 C ATOM 1081 O THR A 71 6.826 -0.741 -9.666 1.00 0.00 O ATOM 1082 CB THR A 71 8.778 1.277 -11.592 1.00 0.00 C ATOM 1083 OG1 THR A 71 7.969 1.729 -12.681 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.250 1.572 -11.920 1.00 0.00 C ATOM 0 H THR A 71 9.110 -0.540 -13.317 1.00 0.00 H new ATOM 0 HA THR A 71 9.174 -0.585 -10.531 1.00 0.00 H new ATOM 0 HB THR A 71 8.528 1.806 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.142 2.680 -12.845 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.376 2.640 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.878 1.267 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.542 1.019 -12.813 1.00 0.00 H new ATOM 1092 N GLU A 72 6.077 -0.279 -11.764 1.00 0.00 N ATOM 1093 CA GLU A 72 4.640 -0.258 -11.429 1.00 0.00 C ATOM 1094 C GLU A 72 4.172 -1.518 -10.662 1.00 0.00 C ATOM 1095 O GLU A 72 3.302 -1.409 -9.790 1.00 0.00 O ATOM 1096 CB GLU A 72 3.764 0.024 -12.700 1.00 0.00 C ATOM 1097 CG GLU A 72 3.418 -1.172 -13.617 1.00 0.00 C ATOM 1098 CD GLU A 72 4.625 -1.879 -14.255 1.00 0.00 C ATOM 1099 OE1 GLU A 72 5.594 -1.199 -14.658 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.606 -3.120 -14.362 1.00 0.00 O ATOM 0 H GLU A 72 6.268 -0.168 -12.760 1.00 0.00 H new ATOM 0 HA GLU A 72 4.495 0.571 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.828 0.474 -12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.280 0.771 -13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.854 -1.903 -13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.761 -0.821 -14.413 1.00 0.00 H new ATOM 1107 N GLN A 73 4.822 -2.675 -10.951 1.00 0.00 N ATOM 1108 CA GLN A 73 4.539 -3.982 -10.300 1.00 0.00 C ATOM 1109 C GLN A 73 4.514 -3.904 -8.756 1.00 0.00 C ATOM 1110 O GLN A 73 3.780 -4.647 -8.115 1.00 0.00 O ATOM 1111 CB GLN A 73 5.584 -5.050 -10.723 1.00 0.00 C ATOM 1112 CG GLN A 73 5.545 -5.447 -12.207 1.00 0.00 C ATOM 1113 CD GLN A 73 6.573 -6.521 -12.572 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.942 -7.355 -11.746 1.00 0.00 O ATOM 1115 NE2 GLN A 73 7.030 -6.523 -13.809 1.00 0.00 N ATOM 0 H GLN A 73 5.564 -2.728 -11.649 1.00 0.00 H new ATOM 0 HA GLN A 73 3.543 -4.266 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.580 -4.674 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.431 -5.945 -10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.547 -5.810 -12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.722 -4.562 -12.818 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.707 -5.820 -14.473 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.707 -7.228 -14.102 1.00 0.00 H new ATOM 1124 N TYR A 74 5.346 -3.035 -8.165 1.00 0.00 N ATOM 1125 CA TYR A 74 5.431 -2.886 -6.692 1.00 0.00 C ATOM 1126 C TYR A 74 5.138 -1.458 -6.240 1.00 0.00 C ATOM 1127 O TYR A 74 4.809 -1.244 -5.070 1.00 0.00 O ATOM 1128 CB TYR A 74 6.837 -3.322 -6.209 1.00 0.00 C ATOM 1129 CG TYR A 74 7.131 -4.798 -6.505 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.572 -5.803 -5.716 1.00 0.00 C ATOM 1131 CD2 TYR A 74 7.933 -5.185 -7.584 1.00 0.00 C ATOM 1132 CE1 TYR A 74 6.807 -7.130 -5.979 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.165 -6.517 -7.852 1.00 0.00 C ATOM 1134 CZ TYR A 74 7.600 -7.484 -7.046 1.00 0.00 C ATOM 1135 OH TYR A 74 7.840 -8.815 -7.301 1.00 0.00 O ATOM 0 H TYR A 74 5.975 -2.419 -8.680 1.00 0.00 H new ATOM 0 HA TYR A 74 4.670 -3.526 -6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.592 -2.701 -6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.919 -3.147 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.942 -5.532 -4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.376 -4.430 -8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.371 -7.893 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.786 -6.802 -8.688 1.00 0.00 H new ATOM 0 HH TYR A 74 8.417 -8.898 -8.089 1.00 0.00 H new ATOM 1145 N PHE A 75 5.248 -0.479 -7.151 1.00 0.00 N ATOM 1146 CA PHE A 75 5.163 0.947 -6.796 1.00 0.00 C ATOM 1147 C PHE A 75 3.885 1.588 -7.368 1.00 0.00 C ATOM 1148 O PHE A 75 3.831 2.785 -7.563 1.00 0.00 O ATOM 1149 CB PHE A 75 6.452 1.670 -7.286 1.00 0.00 C ATOM 1150 CG PHE A 75 7.743 1.123 -6.654 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.090 1.450 -5.343 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.593 0.269 -7.358 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.239 0.941 -4.764 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.741 -0.236 -6.779 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.062 0.097 -5.482 1.00 0.00 C ATOM 0 H PHE A 75 5.397 -0.650 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 75 5.098 1.050 -5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.521 1.578 -8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.370 2.733 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.453 2.109 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.349 -0.002 -8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.492 1.205 -3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.387 -0.892 -7.344 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.957 -0.302 -5.027 1.00 0.00 H new ATOM 1165 N VAL A 76 2.852 0.760 -7.641 1.00 0.00 N ATOM 1166 CA VAL A 76 1.452 1.231 -7.828 1.00 0.00 C ATOM 1167 C VAL A 76 0.628 0.751 -6.629 1.00 0.00 C ATOM 1168 O VAL A 76 0.827 -0.362 -6.176 1.00 0.00 O ATOM 1169 CB VAL A 76 0.816 0.723 -9.181 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.717 0.919 -9.234 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.467 1.422 -10.388 1.00 0.00 C ATOM 0 H VAL A 76 2.959 -0.250 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 76 1.452 2.319 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 76 1.013 -0.348 -9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.098 0.552 -10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.183 0.365 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.952 1.979 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.013 1.056 -11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.314 2.498 -10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.536 1.207 -10.400 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.308 1.600 -6.168 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.094 1.418 -4.926 1.00 0.00 C ATOM 1183 C LEU A 77 -1.838 0.068 -4.838 1.00 0.00 C ATOM 1184 O LEU A 77 -1.863 -0.538 -3.773 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.090 2.612 -4.750 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.597 3.781 -3.845 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.508 3.336 -2.370 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.263 4.381 -4.353 1.00 0.00 C ATOM 0 H LEU A 77 -0.549 2.459 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.375 1.404 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.322 3.014 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.021 2.225 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.337 4.580 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.162 4.169 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.492 3.018 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.807 2.506 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.045 5.193 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.505 3.607 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.399 4.766 -5.364 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.440 -0.386 -5.951 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.192 -1.668 -5.983 1.00 0.00 C ATOM 1202 C LYS A 78 -2.244 -2.869 -5.783 1.00 0.00 C ATOM 1203 O LYS A 78 -2.581 -3.831 -5.086 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.002 -1.805 -7.310 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.140 -1.767 -8.590 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.963 -1.735 -9.898 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.064 -1.620 -11.145 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.850 -1.579 -12.407 1.00 0.00 N ATOM 0 H LYS A 78 -2.425 0.109 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.903 -1.664 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.557 -2.743 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.737 -1.001 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.495 -0.889 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.488 -2.641 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.566 -2.640 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.654 -0.893 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.456 -0.719 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.378 -2.466 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.202 -1.501 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.411 -2.450 -12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.487 -0.757 -12.393 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.046 -2.762 -6.371 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.026 -3.823 -6.354 1.00 0.00 C ATOM 1224 C ASN A 79 0.743 -3.819 -5.026 1.00 0.00 C ATOM 1225 O ASN A 79 1.077 -4.870 -4.485 1.00 0.00 O ATOM 1226 CB ASN A 79 0.952 -3.619 -7.531 1.00 0.00 C ATOM 1227 CG ASN A 79 0.279 -3.637 -8.907 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.766 -4.243 -9.088 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.891 -3.003 -9.889 1.00 0.00 N ATOM 0 H ASN A 79 -0.752 -1.927 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.524 -4.787 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.467 -2.667 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.712 -4.400 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.492 -3.011 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.763 -2.505 -9.709 1.00 0.00 H new ATOM 1236 N LEU A 80 0.999 -2.609 -4.520 1.00 0.00 N ATOM 1237 CA LEU A 80 1.693 -2.376 -3.250 1.00 0.00 C ATOM 1238 C LEU A 80 0.839 -2.937 -2.109 1.00 0.00 C ATOM 1239 O LEU A 80 1.299 -3.786 -1.351 1.00 0.00 O ATOM 1240 CB LEU A 80 1.946 -0.854 -3.047 1.00 0.00 C ATOM 1241 CG LEU A 80 2.673 -0.439 -1.725 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.121 -0.986 -1.669 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.634 1.095 -1.528 1.00 0.00 C ATOM 0 H LEU A 80 0.724 -1.747 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 80 2.659 -2.880 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.535 -0.490 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.985 -0.340 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 80 2.131 -0.893 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.591 -0.676 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.101 -2.075 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.691 -0.593 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.146 1.356 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.131 1.582 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.598 1.429 -1.476 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.436 -2.505 -2.068 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.418 -2.942 -1.052 1.00 0.00 C ATOM 1257 C ALA A 81 -1.783 -4.431 -1.208 1.00 0.00 C ATOM 1258 O ALA A 81 -2.241 -5.057 -0.252 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.673 -2.064 -1.103 1.00 0.00 C ATOM 0 H ALA A 81 -0.817 -1.840 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.951 -2.825 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.384 -2.401 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.400 -1.027 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.129 -2.139 -2.090 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.584 -4.984 -2.421 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.703 -6.434 -2.664 1.00 0.00 C ATOM 1267 C ALA A 82 -0.615 -7.188 -1.890 1.00 0.00 C ATOM 1268 O ALA A 82 -0.924 -8.071 -1.091 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.607 -6.754 -4.163 1.00 0.00 C ATOM 0 H ALA A 82 -1.339 -4.444 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.682 -6.759 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.698 -7.830 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.410 -6.245 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.645 -6.415 -4.547 1.00 0.00 H new ATOM 1275 N ARG A 83 0.657 -6.773 -2.110 1.00 0.00 N ATOM 1276 CA ARG A 83 1.834 -7.384 -1.464 1.00 0.00 C ATOM 1277 C ARG A 83 1.761 -7.249 0.070 1.00 0.00 C ATOM 1278 O ARG A 83 2.094 -8.185 0.799 1.00 0.00 O ATOM 1279 CB ARG A 83 3.148 -6.733 -1.970 1.00 0.00 C ATOM 1280 CG ARG A 83 3.404 -6.813 -3.494 1.00 0.00 C ATOM 1281 CD ARG A 83 3.327 -8.244 -4.057 1.00 0.00 C ATOM 1282 NE ARG A 83 4.320 -9.168 -3.468 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.393 -10.486 -3.734 1.00 0.00 C ATOM 1284 NH1 ARG A 83 3.552 -11.067 -4.577 1.00 0.00 N ATOM 1285 NH2 ARG A 83 5.324 -11.218 -3.162 1.00 0.00 N ATOM 0 H ARG A 83 0.890 -6.006 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 83 1.832 -8.441 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.146 -5.683 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.985 -7.206 -1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.674 -6.189 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.388 -6.398 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.327 -8.640 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.472 -8.209 -5.137 1.00 0.00 H new ATOM 0 HE ARG A 83 4.998 -8.779 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.830 -10.514 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.626 -12.067 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.988 -10.787 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.382 -12.217 -3.361 1.00 0.00 H new ATOM 1299 N ILE A 84 1.307 -6.074 0.524 1.00 0.00 N ATOM 1300 CA ILE A 84 1.124 -5.750 1.949 1.00 0.00 C ATOM 1301 C ILE A 84 0.095 -6.697 2.583 1.00 0.00 C ATOM 1302 O ILE A 84 0.384 -7.310 3.603 1.00 0.00 O ATOM 1303 CB ILE A 84 0.680 -4.242 2.100 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.862 -3.301 1.692 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.152 -3.909 3.517 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.507 -1.837 1.537 1.00 0.00 C ATOM 0 H ILE A 84 1.051 -5.307 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 84 2.070 -5.885 2.474 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.160 -4.075 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.648 -3.389 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.279 -3.657 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.138 -2.859 3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.713 -4.534 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.935 -4.100 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.397 -1.275 1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.746 -1.727 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.122 -1.454 2.482 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.079 -6.838 1.938 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.180 -7.702 2.436 1.00 0.00 C ATOM 1320 C ASP A 85 -1.760 -9.185 2.477 1.00 0.00 C ATOM 1321 O ASP A 85 -2.179 -9.926 3.372 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.450 -7.543 1.567 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.668 -8.299 2.145 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.270 -7.813 3.126 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -5.031 -9.381 1.626 1.00 0.00 O ATOM 0 H ASP A 85 -1.296 -6.362 1.062 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.405 -7.378 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.694 -6.484 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.245 -7.909 0.561 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.931 -9.595 1.498 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.325 -10.948 1.452 1.00 0.00 C ATOM 1332 C GLU A 86 0.508 -11.193 2.718 1.00 0.00 C ATOM 1333 O GLU A 86 0.422 -12.264 3.335 1.00 0.00 O ATOM 1334 CB GLU A 86 0.561 -11.114 0.185 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.215 -11.166 -1.144 1.00 0.00 C ATOM 1336 CD GLU A 86 0.698 -11.172 -2.389 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.459 -12.149 -2.578 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.664 -10.206 -3.182 1.00 0.00 O ATOM 0 H GLU A 86 -0.660 -9.001 0.715 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.127 -11.684 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.270 -10.287 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.145 -12.029 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.839 -12.059 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.885 -10.308 -1.198 1.00 0.00 H new ATOM 1345 N LEU A 87 1.295 -10.174 3.099 1.00 0.00 N ATOM 1346 CA LEU A 87 2.146 -10.227 4.294 1.00 0.00 C ATOM 1347 C LEU A 87 1.300 -10.220 5.579 1.00 0.00 C ATOM 1348 O LEU A 87 1.589 -10.985 6.487 1.00 0.00 O ATOM 1349 CB LEU A 87 3.161 -9.057 4.311 1.00 0.00 C ATOM 1350 CG LEU A 87 4.157 -9.010 3.115 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.095 -7.791 3.205 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.951 -10.327 2.993 1.00 0.00 C ATOM 0 H LEU A 87 1.358 -9.294 2.588 1.00 0.00 H new ATOM 0 HA LEU A 87 2.704 -11.163 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.606 -8.119 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.735 -9.112 5.236 1.00 0.00 H new ATOM 0 HG LEU A 87 3.568 -8.897 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.776 -7.792 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.504 -6.875 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.670 -7.842 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.637 -10.261 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.518 -10.496 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.260 -11.155 2.835 1.00 0.00 H new ATOM 1364 N VAL A 88 0.236 -9.375 5.629 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.651 -9.240 6.819 1.00 0.00 C ATOM 1366 C VAL A 88 -1.346 -10.578 7.122 1.00 0.00 C ATOM 1367 O VAL A 88 -1.389 -11.024 8.273 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.738 -8.103 6.649 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.640 -7.993 7.911 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.075 -6.740 6.344 1.00 0.00 C ATOM 0 H VAL A 88 -0.031 -8.771 4.851 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.011 -8.955 7.654 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.367 -8.377 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.377 -7.203 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.152 -8.941 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.024 -7.757 8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.846 -5.977 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.411 -6.467 7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.500 -6.813 5.421 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.863 -11.196 6.058 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.503 -12.518 6.106 1.00 0.00 C ATOM 1382 C ALA A 89 -1.522 -13.603 6.586 1.00 0.00 C ATOM 1383 O ALA A 89 -1.875 -14.457 7.414 1.00 0.00 O ATOM 1384 CB ALA A 89 -3.082 -12.874 4.725 1.00 0.00 C ATOM 0 H ALA A 89 -1.850 -10.788 5.123 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.318 -12.475 6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.554 -13.855 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.823 -12.128 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.280 -12.891 3.988 1.00 0.00 H new ATOM 1390 N ALA A 90 -0.284 -13.543 6.061 1.00 0.00 N ATOM 1391 CA ALA A 90 0.763 -14.536 6.345 1.00 0.00 C ATOM 1392 C ALA A 90 1.249 -14.446 7.800 1.00 0.00 C ATOM 1393 O ALA A 90 1.387 -15.466 8.471 1.00 0.00 O ATOM 1394 CB ALA A 90 1.935 -14.358 5.368 1.00 0.00 C ATOM 0 H ALA A 90 0.017 -12.802 5.427 1.00 0.00 H new ATOM 0 HA ALA A 90 0.334 -15.529 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.706 -15.097 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.581 -14.493 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.352 -13.357 5.478 1.00 0.00 H new ATOM 1400 N LYS A 91 1.444 -13.210 8.296 1.00 0.00 N ATOM 1401 CA LYS A 91 2.027 -12.970 9.630 1.00 0.00 C ATOM 1402 C LYS A 91 0.940 -13.069 10.707 1.00 0.00 C ATOM 1403 O LYS A 91 1.216 -13.505 11.823 1.00 0.00 O ATOM 1404 CB LYS A 91 2.787 -11.598 9.673 1.00 0.00 C ATOM 1405 CG LYS A 91 1.941 -10.310 9.478 1.00 0.00 C ATOM 1406 CD LYS A 91 1.298 -9.756 10.770 1.00 0.00 C ATOM 1407 CE LYS A 91 0.392 -8.547 10.515 1.00 0.00 C ATOM 1408 NZ LYS A 91 -0.232 -8.052 11.763 1.00 0.00 N ATOM 0 H LYS A 91 1.205 -12.357 7.790 1.00 0.00 H new ATOM 0 HA LYS A 91 2.767 -13.743 9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.297 -11.525 10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.558 -11.615 8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.576 -9.537 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.151 -10.516 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.717 -10.545 11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.085 -9.473 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.974 -7.747 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.387 -8.821 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.210 -7.012 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.219 -8.378 11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.293 -8.418 12.583 1.00 0.00 H new