USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= 0.0339 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot -117:sc= 1.78 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.815 K(o=2.6,f=0.17) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 21 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot 19:sc= 0.352 USER MOD Single : A 23 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 26 ASN : amide:sc= -1.91! C(o=-1.9!,f=-9.1!) USER MOD Single : A 28 THR OG1 : rot -14:sc= -2.04! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -36:sc= 0.0267 USER MOD Single : A 36 HIS : no HD1:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00663 K(o=-0.0066,f=-0.91) USER MOD Single : A 64 ASN : amide:sc=-0.00721 K(o=-0.0072,f=-1.8) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 74 THR OG1 : rot -38:sc= 0.594 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.147 2.995 5.153 1.00 0.00 N ATOM 2 CA GLY A 10 10.161 4.031 5.425 1.00 0.00 C ATOM 3 C GLY A 10 9.310 4.377 4.219 1.00 0.00 C ATOM 4 O GLY A 10 8.495 3.563 3.783 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.512 3.702 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.673 4.929 5.770 1.00 0.00 H new ATOM 8 N PRO A 11 9.461 5.594 3.673 1.00 0.00 N ATOM 9 CA PRO A 11 8.733 6.025 2.477 1.00 0.00 C ATOM 10 C PRO A 11 9.124 5.206 1.254 1.00 0.00 C ATOM 11 O PRO A 11 10.239 4.684 1.166 1.00 0.00 O ATOM 12 CB PRO A 11 9.144 7.493 2.295 1.00 0.00 C ATOM 13 CG PRO A 11 9.760 7.896 3.592 1.00 0.00 C ATOM 14 CD PRO A 11 10.351 6.649 4.178 1.00 0.00 C ATOM 0 HA PRO A 11 7.657 5.894 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.851 7.604 1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.281 8.116 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.526 8.656 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.014 8.325 4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.380 6.499 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.362 6.681 5.267 1.00 0.00 H new ATOM 22 N PHE A 12 8.210 5.103 0.309 1.00 0.00 N ATOM 23 CA PHE A 12 8.436 4.295 -0.876 1.00 0.00 C ATOM 24 C PHE A 12 8.352 5.141 -2.139 1.00 0.00 C ATOM 25 O PHE A 12 8.289 6.369 -2.075 1.00 0.00 O ATOM 26 CB PHE A 12 7.433 3.139 -0.944 1.00 0.00 C ATOM 27 CG PHE A 12 5.983 3.543 -0.838 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.427 3.866 0.389 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.172 3.580 -1.961 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.099 4.222 0.495 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.839 3.936 -1.857 1.00 0.00 C ATOM 32 CZ PHE A 12 3.304 4.255 -0.629 1.00 0.00 C ATOM 0 H PHE A 12 7.303 5.569 0.338 1.00 0.00 H new ATOM 0 HA PHE A 12 9.441 3.880 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.578 2.607 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.658 2.436 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.043 3.839 1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.584 3.328 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.683 4.475 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.218 3.964 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.263 4.531 -0.547 1.00 0.00 H new ATOM 42 N THR A 13 8.373 4.475 -3.280 1.00 0.00 N ATOM 43 CA THR A 13 8.284 5.142 -4.565 1.00 0.00 C ATOM 44 C THR A 13 7.133 4.561 -5.369 1.00 0.00 C ATOM 45 O THR A 13 6.548 3.549 -4.977 1.00 0.00 O ATOM 46 CB THR A 13 9.584 4.967 -5.372 1.00 0.00 C ATOM 47 OG1 THR A 13 9.758 3.588 -5.730 1.00 0.00 O ATOM 48 CG2 THR A 13 10.782 5.424 -4.564 1.00 0.00 C ATOM 0 H THR A 13 8.452 3.460 -3.341 1.00 0.00 H new ATOM 0 HA THR A 13 8.120 6.203 -4.379 1.00 0.00 H new ATOM 0 HB THR A 13 9.509 5.576 -6.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.573 3.242 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.690 5.292 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.667 6.477 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.852 4.833 -3.651 1.00 0.00 H new ATOM 56 N ARG A 14 6.824 5.189 -6.495 1.00 0.00 N ATOM 57 CA ARG A 14 5.823 4.666 -7.416 1.00 0.00 C ATOM 58 C ARG A 14 6.189 3.247 -7.822 1.00 0.00 C ATOM 59 O ARG A 14 5.357 2.340 -7.821 1.00 0.00 O ATOM 60 CB ARG A 14 5.759 5.550 -8.658 1.00 0.00 C ATOM 61 CG ARG A 14 4.572 5.260 -9.562 1.00 0.00 C ATOM 62 CD ARG A 14 4.478 6.273 -10.690 1.00 0.00 C ATOM 63 NE ARG A 14 3.418 5.936 -11.639 1.00 0.00 N ATOM 64 CZ ARG A 14 2.717 6.832 -12.334 1.00 0.00 C ATOM 65 NH1 ARG A 14 2.926 8.130 -12.161 1.00 0.00 N ATOM 66 NH2 ARG A 14 1.797 6.419 -13.194 1.00 0.00 N ATOM 0 H ARG A 14 7.254 6.065 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 14 4.851 4.660 -6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.719 6.594 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.678 5.423 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.665 4.257 -9.978 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.653 5.278 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.291 7.263 -10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.432 6.322 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 14 3.200 4.949 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.627 8.449 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.386 8.809 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.629 5.421 -13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.257 7.099 -13.729 1.00 0.00 H new ATOM 80 N ARG A 15 7.455 3.076 -8.154 1.00 0.00 N ATOM 81 CA ARG A 15 7.985 1.779 -8.559 1.00 0.00 C ATOM 82 C ARG A 15 7.900 0.755 -7.430 1.00 0.00 C ATOM 83 O ARG A 15 7.404 -0.352 -7.630 1.00 0.00 O ATOM 84 CB ARG A 15 9.430 1.924 -9.028 1.00 0.00 C ATOM 85 CG ARG A 15 9.587 1.755 -10.526 1.00 0.00 C ATOM 86 CD ARG A 15 9.262 0.332 -10.950 1.00 0.00 C ATOM 87 NE ARG A 15 9.315 0.162 -12.398 1.00 0.00 N ATOM 88 CZ ARG A 15 10.291 -0.484 -13.034 1.00 0.00 C ATOM 89 NH1 ARG A 15 11.318 -0.979 -12.353 1.00 0.00 N ATOM 90 NH2 ARG A 15 10.247 -0.632 -14.351 1.00 0.00 N ATOM 0 H ARG A 15 8.146 3.826 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 15 7.372 1.415 -9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.803 2.906 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.048 1.185 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.929 2.452 -11.045 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.608 2.001 -10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.965 -0.355 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.268 0.066 -10.591 1.00 0.00 H new ATOM 0 HE ARG A 15 8.560 0.561 -12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.361 -0.865 -11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.064 -1.473 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.464 -0.250 -14.881 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.997 -1.127 -14.834 1.00 0.00 H new ATOM 104 N GLN A 16 8.384 1.128 -6.246 1.00 0.00 N ATOM 105 CA GLN A 16 8.340 0.237 -5.089 1.00 0.00 C ATOM 106 C GLN A 16 6.905 -0.160 -4.770 1.00 0.00 C ATOM 107 O GLN A 16 6.623 -1.330 -4.515 1.00 0.00 O ATOM 108 CB GLN A 16 8.978 0.896 -3.868 1.00 0.00 C ATOM 109 CG GLN A 16 10.435 0.519 -3.636 1.00 0.00 C ATOM 110 CD GLN A 16 11.332 0.813 -4.822 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.847 1.921 -4.967 1.00 0.00 O ATOM 112 NE2 GLN A 16 11.556 -0.188 -5.654 1.00 0.00 N ATOM 0 H GLN A 16 8.809 2.037 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 16 8.908 -0.659 -5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.909 1.978 -3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.401 0.628 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.808 1.059 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.494 -0.544 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.109 -1.091 -5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.176 -0.058 -6.453 1.00 0.00 H new ATOM 121 N ALA A 17 6.006 0.823 -4.792 1.00 0.00 N ATOM 122 CA ALA A 17 4.585 0.578 -4.542 1.00 0.00 C ATOM 123 C ALA A 17 4.050 -0.535 -5.437 1.00 0.00 C ATOM 124 O ALA A 17 3.409 -1.476 -4.960 1.00 0.00 O ATOM 125 CB ALA A 17 3.783 1.852 -4.764 1.00 0.00 C ATOM 0 H ALA A 17 6.236 1.799 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 17 4.478 0.262 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.728 1.655 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.136 2.627 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.910 2.187 -5.793 1.00 0.00 H new ATOM 131 N GLN A 18 4.340 -0.432 -6.730 1.00 0.00 N ATOM 132 CA GLN A 18 3.880 -1.403 -7.712 1.00 0.00 C ATOM 133 C GLN A 18 4.318 -2.815 -7.344 1.00 0.00 C ATOM 134 O GLN A 18 3.525 -3.755 -7.393 1.00 0.00 O ATOM 135 CB GLN A 18 4.427 -1.039 -9.086 1.00 0.00 C ATOM 136 CG GLN A 18 3.894 0.277 -9.617 1.00 0.00 C ATOM 137 CD GLN A 18 4.468 0.635 -10.969 1.00 0.00 C ATOM 138 OE1 GLN A 18 5.607 0.292 -11.291 1.00 0.00 O ATOM 139 NE2 GLN A 18 3.675 1.319 -11.777 1.00 0.00 N ATOM 0 H GLN A 18 4.899 0.325 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 18 2.790 -1.380 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.515 -0.987 -9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.179 -1.833 -9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.808 0.221 -9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.125 1.071 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.739 1.583 -11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.000 1.583 -12.707 1.00 0.00 H new ATOM 148 N ALA A 19 5.579 -2.948 -6.954 1.00 0.00 N ATOM 149 CA ALA A 19 6.163 -4.245 -6.634 1.00 0.00 C ATOM 150 C ALA A 19 5.445 -4.927 -5.468 1.00 0.00 C ATOM 151 O ALA A 19 5.318 -6.157 -5.433 1.00 0.00 O ATOM 152 CB ALA A 19 7.644 -4.085 -6.318 1.00 0.00 C ATOM 0 H ALA A 19 6.224 -2.164 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 19 6.043 -4.885 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.073 -5.059 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.157 -3.664 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.764 -3.417 -5.465 1.00 0.00 H new ATOM 158 N VAL A 20 4.915 -4.139 -4.542 1.00 0.00 N ATOM 159 CA VAL A 20 4.385 -4.700 -3.315 1.00 0.00 C ATOM 160 C VAL A 20 2.951 -5.070 -3.566 1.00 0.00 C ATOM 161 O VAL A 20 2.391 -5.962 -2.938 1.00 0.00 O ATOM 162 CB VAL A 20 4.463 -3.710 -2.132 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.206 -4.424 -0.813 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.812 -3.012 -2.099 1.00 0.00 C ATOM 0 H VAL A 20 4.843 -3.124 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 20 4.983 -5.569 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 20 3.689 -2.956 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.266 -3.708 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.213 -4.874 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.955 -5.203 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.843 -2.320 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.603 -3.754 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.959 -2.461 -3.028 1.00 0.00 H new ATOM 174 N THR A 21 2.395 -4.388 -4.541 1.00 0.00 N ATOM 175 CA THR A 21 1.020 -4.561 -4.923 1.00 0.00 C ATOM 176 C THR A 21 0.879 -5.699 -5.929 1.00 0.00 C ATOM 177 O THR A 21 -0.142 -6.385 -5.967 1.00 0.00 O ATOM 178 CB THR A 21 0.487 -3.255 -5.517 1.00 0.00 C ATOM 179 OG1 THR A 21 0.854 -2.148 -4.678 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.006 -3.312 -5.622 1.00 0.00 C ATOM 0 H THR A 21 2.893 -3.691 -5.094 1.00 0.00 H new ATOM 0 HA THR A 21 0.437 -4.818 -4.039 1.00 0.00 H new ATOM 0 HB THR A 21 0.919 -3.122 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.713 -1.782 -4.976 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.377 -2.379 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.294 -4.143 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.435 -3.456 -4.631 1.00 0.00 H new ATOM 188 N THR A 22 1.906 -5.908 -6.748 1.00 0.00 N ATOM 189 CA THR A 22 1.944 -7.083 -7.598 1.00 0.00 C ATOM 190 C THR A 22 2.126 -8.319 -6.729 1.00 0.00 C ATOM 191 O THR A 22 1.690 -9.418 -7.077 1.00 0.00 O ATOM 192 CB THR A 22 3.067 -7.000 -8.653 1.00 0.00 C ATOM 193 OG1 THR A 22 4.287 -6.556 -8.046 1.00 0.00 O ATOM 194 CG2 THR A 22 2.682 -6.053 -9.781 1.00 0.00 C ATOM 0 H THR A 22 2.710 -5.286 -6.838 1.00 0.00 H new ATOM 0 HA THR A 22 1.001 -7.142 -8.141 1.00 0.00 H new ATOM 0 HB THR A 22 3.214 -7.997 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.234 -6.682 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.489 -6.011 -10.512 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.773 -6.413 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.507 -5.056 -9.376 1.00 0.00 H new ATOM 202 N THR A 23 2.772 -8.122 -5.586 1.00 0.00 N ATOM 203 CA THR A 23 2.883 -9.169 -4.590 1.00 0.00 C ATOM 204 C THR A 23 1.573 -9.328 -3.808 1.00 0.00 C ATOM 205 O THR A 23 0.996 -10.415 -3.777 1.00 0.00 O ATOM 206 CB THR A 23 4.042 -8.884 -3.621 1.00 0.00 C ATOM 207 OG1 THR A 23 5.225 -8.578 -4.367 1.00 0.00 O ATOM 208 CG2 THR A 23 4.311 -10.082 -2.728 1.00 0.00 C ATOM 0 H THR A 23 3.226 -7.245 -5.330 1.00 0.00 H new ATOM 0 HA THR A 23 3.088 -10.102 -5.115 1.00 0.00 H new ATOM 0 HB THR A 23 3.764 -8.037 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.345 -7.606 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.135 -9.854 -2.052 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.418 -10.310 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.573 -10.943 -3.343 1.00 0.00 H new ATOM 216 N TYR A 24 1.094 -8.252 -3.180 1.00 0.00 N ATOM 217 CA TYR A 24 -0.138 -8.304 -2.423 1.00 0.00 C ATOM 218 C TYR A 24 -1.225 -7.522 -3.146 1.00 0.00 C ATOM 219 O TYR A 24 -1.235 -6.297 -3.144 1.00 0.00 O ATOM 220 CB TYR A 24 0.086 -7.752 -1.011 1.00 0.00 C ATOM 221 CG TYR A 24 1.174 -8.475 -0.253 1.00 0.00 C ATOM 222 CD1 TYR A 24 0.886 -9.598 0.504 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.492 -8.040 -0.312 1.00 0.00 C ATOM 224 CE1 TYR A 24 1.882 -10.274 1.178 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.493 -8.709 0.362 1.00 0.00 C ATOM 226 CZ TYR A 24 3.183 -9.828 1.103 1.00 0.00 C ATOM 227 OH TYR A 24 4.177 -10.509 1.766 1.00 0.00 O ATOM 0 H TYR A 24 1.548 -7.338 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.461 -9.341 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.341 -6.694 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.846 -7.821 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.133 -9.950 0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.737 -7.164 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.642 -11.150 1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.513 -8.358 0.309 1.00 0.00 H new ATOM 0 HH TYR A 24 5.037 -10.066 1.610 1.00 0.00 H new ATOM 237 N SER A 25 -2.119 -8.251 -3.785 1.00 0.00 N ATOM 238 CA SER A 25 -3.211 -7.665 -4.545 1.00 0.00 C ATOM 239 C SER A 25 -4.273 -7.042 -3.640 1.00 0.00 C ATOM 240 O SER A 25 -5.238 -6.445 -4.119 1.00 0.00 O ATOM 241 CB SER A 25 -3.828 -8.742 -5.431 1.00 0.00 C ATOM 242 OG SER A 25 -3.994 -9.951 -4.709 1.00 0.00 O ATOM 0 H SER A 25 -2.110 -9.271 -3.793 1.00 0.00 H new ATOM 0 HA SER A 25 -2.810 -6.858 -5.159 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.793 -8.402 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.191 -8.915 -6.298 1.00 0.00 H new ATOM 0 HG SER A 25 -4.393 -10.629 -5.294 1.00 0.00 H new ATOM 248 N ASN A 26 -4.105 -7.186 -2.330 1.00 0.00 N ATOM 249 CA ASN A 26 -4.996 -6.526 -1.389 1.00 0.00 C ATOM 250 C ASN A 26 -4.584 -5.071 -1.234 1.00 0.00 C ATOM 251 O ASN A 26 -5.352 -4.246 -0.742 1.00 0.00 O ATOM 252 CB ASN A 26 -5.011 -7.219 -0.023 1.00 0.00 C ATOM 253 CG ASN A 26 -3.677 -7.161 0.698 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.618 -7.249 0.085 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.725 -7.002 2.008 1.00 0.00 N ATOM 0 H ASN A 26 -3.369 -7.747 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.008 -6.585 -1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.774 -6.756 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.298 -8.262 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.861 -6.948 2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.626 -6.933 2.481 1.00 0.00 H new ATOM 262 N ILE A 27 -3.364 -4.760 -1.660 1.00 0.00 N ATOM 263 CA ILE A 27 -2.901 -3.386 -1.691 1.00 0.00 C ATOM 264 C ILE A 27 -3.534 -2.693 -2.894 1.00 0.00 C ATOM 265 O ILE A 27 -3.766 -3.329 -3.921 1.00 0.00 O ATOM 266 CB ILE A 27 -1.363 -3.279 -1.808 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.658 -4.356 -0.968 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.902 -1.889 -1.391 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.823 -4.116 -0.788 1.00 0.00 C ATOM 0 H ILE A 27 -2.682 -5.444 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.191 -2.914 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.092 -3.445 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.130 -4.406 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.804 -5.327 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.183 -1.824 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.363 -1.143 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.196 -1.703 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.251 -4.917 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.310 -4.097 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.978 -3.161 -0.286 1.00 0.00 H new ATOM 281 N THR A 28 -3.823 -1.411 -2.774 1.00 0.00 N ATOM 282 CA THR A 28 -4.471 -0.685 -3.854 1.00 0.00 C ATOM 283 C THR A 28 -3.912 0.720 -3.977 1.00 0.00 C ATOM 284 O THR A 28 -3.908 1.488 -3.014 1.00 0.00 O ATOM 285 CB THR A 28 -6.005 -0.622 -3.666 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.330 -0.471 -2.279 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.678 -1.870 -4.217 1.00 0.00 C ATOM 0 H THR A 28 -3.621 -0.852 -1.945 1.00 0.00 H new ATOM 0 HA THR A 28 -4.263 -1.233 -4.773 1.00 0.00 H new ATOM 0 HB THR A 28 -6.373 0.242 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.538 -0.661 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.756 -1.797 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.462 -1.960 -5.282 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.300 -2.748 -3.694 1.00 0.00 H new ATOM 295 N LEU A 29 -3.414 1.040 -5.158 1.00 0.00 N ATOM 296 CA LEU A 29 -2.873 2.358 -5.419 1.00 0.00 C ATOM 297 C LEU A 29 -4.016 3.319 -5.711 1.00 0.00 C ATOM 298 O LEU A 29 -4.562 3.339 -6.815 1.00 0.00 O ATOM 299 CB LEU A 29 -1.880 2.299 -6.585 1.00 0.00 C ATOM 300 CG LEU A 29 -0.938 3.502 -6.720 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.274 3.124 -7.547 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.646 4.687 -7.356 1.00 0.00 C ATOM 0 H LEU A 29 -3.374 0.402 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.332 2.717 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.276 1.398 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.443 2.196 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.618 3.792 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.936 3.985 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.806 2.306 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.047 2.808 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.953 5.524 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.999 4.410 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.495 4.979 -6.737 1.00 0.00 H new ATOM 314 N GLU A 30 -4.390 4.087 -4.706 1.00 0.00 N ATOM 315 CA GLU A 30 -5.507 5.009 -4.817 1.00 0.00 C ATOM 316 C GLU A 30 -5.042 6.438 -4.603 1.00 0.00 C ATOM 317 O GLU A 30 -3.925 6.672 -4.134 1.00 0.00 O ATOM 318 CB GLU A 30 -6.604 4.653 -3.812 1.00 0.00 C ATOM 319 CG GLU A 30 -7.386 3.404 -4.185 1.00 0.00 C ATOM 320 CD GLU A 30 -8.063 3.530 -5.535 1.00 0.00 C ATOM 321 OE1 GLU A 30 -9.023 4.321 -5.651 1.00 0.00 O ATOM 322 OE2 GLU A 30 -7.631 2.853 -6.491 1.00 0.00 O ATOM 0 H GLU A 30 -3.932 4.091 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.919 4.924 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.153 4.510 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.294 5.492 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.713 2.547 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.138 3.207 -3.421 1.00 0.00 H new ATOM 329 N ASP A 31 -5.914 7.381 -4.945 1.00 0.00 N ATOM 330 CA ASP A 31 -5.586 8.801 -4.891 1.00 0.00 C ATOM 331 C ASP A 31 -4.394 9.102 -5.783 1.00 0.00 C ATOM 332 O ASP A 31 -3.582 9.979 -5.484 1.00 0.00 O ATOM 333 CB ASP A 31 -5.315 9.252 -3.454 1.00 0.00 C ATOM 334 CG ASP A 31 -6.414 10.152 -2.927 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.390 9.636 -2.343 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.312 11.384 -3.108 1.00 0.00 O ATOM 0 H ASP A 31 -6.862 7.184 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.446 9.362 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.222 8.377 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.362 9.780 -3.413 1.00 0.00 H new ATOM 341 N ASP A 32 -4.320 8.378 -6.894 1.00 0.00 N ATOM 342 CA ASP A 32 -3.229 8.506 -7.839 1.00 0.00 C ATOM 343 C ASP A 32 -3.258 9.854 -8.546 1.00 0.00 C ATOM 344 O ASP A 32 -4.031 10.077 -9.476 1.00 0.00 O ATOM 345 CB ASP A 32 -3.262 7.354 -8.853 1.00 0.00 C ATOM 346 CG ASP A 32 -4.625 7.142 -9.493 1.00 0.00 C ATOM 347 OD1 ASP A 32 -5.563 6.716 -8.781 1.00 0.00 O ATOM 348 OD2 ASP A 32 -4.761 7.369 -10.718 1.00 0.00 O ATOM 0 H ASP A 32 -5.019 7.685 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.294 8.451 -7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.529 7.550 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.958 6.434 -8.354 1.00 0.00 H new ATOM 353 N GLN A 33 -2.422 10.759 -8.065 1.00 0.00 N ATOM 354 CA GLN A 33 -2.265 12.075 -8.665 1.00 0.00 C ATOM 355 C GLN A 33 -0.943 12.117 -9.437 1.00 0.00 C ATOM 356 O GLN A 33 -0.497 13.167 -9.897 1.00 0.00 O ATOM 357 CB GLN A 33 -2.289 13.144 -7.564 1.00 0.00 C ATOM 358 CG GLN A 33 -2.427 14.569 -8.071 1.00 0.00 C ATOM 359 CD GLN A 33 -2.313 15.594 -6.956 1.00 0.00 C ATOM 360 OE1 GLN A 33 -1.222 16.077 -6.652 1.00 0.00 O ATOM 361 NE2 GLN A 33 -3.433 15.924 -6.329 1.00 0.00 N ATOM 0 H GLN A 33 -1.833 10.603 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.083 12.275 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.116 12.931 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.372 13.067 -6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.657 14.762 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.390 14.683 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.318 15.502 -6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.410 16.600 -5.566 1.00 0.00 H new ATOM 370 N GLY A 34 -0.325 10.950 -9.571 1.00 0.00 N ATOM 371 CA GLY A 34 0.959 10.850 -10.236 1.00 0.00 C ATOM 372 C GLY A 34 1.988 10.181 -9.352 1.00 0.00 C ATOM 373 O GLY A 34 2.084 8.956 -9.313 1.00 0.00 O ATOM 0 H GLY A 34 -0.695 10.064 -9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.848 10.284 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.306 11.846 -10.512 1.00 0.00 H new ATOM 377 N SER A 35 2.756 10.983 -8.638 1.00 0.00 N ATOM 378 CA SER A 35 3.682 10.464 -7.646 1.00 0.00 C ATOM 379 C SER A 35 3.073 10.641 -6.260 1.00 0.00 C ATOM 380 O SER A 35 3.545 10.078 -5.275 1.00 0.00 O ATOM 381 CB SER A 35 5.035 11.177 -7.739 1.00 0.00 C ATOM 382 OG SER A 35 5.997 10.565 -6.893 1.00 0.00 O ATOM 0 H SER A 35 2.757 11.999 -8.726 1.00 0.00 H new ATOM 0 HA SER A 35 3.856 9.404 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.389 11.158 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.917 12.224 -7.462 1.00 0.00 H new ATOM 0 HG SER A 35 5.562 10.263 -6.068 1.00 0.00 H new ATOM 388 N HIS A 36 2.018 11.444 -6.199 1.00 0.00 N ATOM 389 CA HIS A 36 1.256 11.616 -4.973 1.00 0.00 C ATOM 390 C HIS A 36 0.078 10.656 -4.975 1.00 0.00 C ATOM 391 O HIS A 36 -0.835 10.793 -5.787 1.00 0.00 O ATOM 392 CB HIS A 36 0.752 13.057 -4.829 1.00 0.00 C ATOM 393 CG HIS A 36 1.834 14.060 -4.559 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.770 14.981 -3.536 1.00 0.00 N ATOM 395 CD2 HIS A 36 3.006 14.293 -5.196 1.00 0.00 C ATOM 396 CE1 HIS A 36 2.854 15.735 -3.559 1.00 0.00 C ATOM 397 NE2 HIS A 36 3.618 15.335 -4.555 1.00 0.00 N ATOM 0 H HIS A 36 1.671 11.988 -6.989 1.00 0.00 H new ATOM 0 HA HIS A 36 1.909 11.402 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.228 13.340 -5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.024 13.097 -4.019 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.387 13.756 -6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.076 16.542 -2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.521 15.738 -4.808 1.00 0.00 H new ATOM 406 N PHE A 37 0.123 9.675 -4.090 1.00 0.00 N ATOM 407 CA PHE A 37 -0.928 8.672 -3.989 1.00 0.00 C ATOM 408 C PHE A 37 -0.806 7.943 -2.663 1.00 0.00 C ATOM 409 O PHE A 37 0.172 8.140 -1.933 1.00 0.00 O ATOM 410 CB PHE A 37 -0.837 7.672 -5.153 1.00 0.00 C ATOM 411 CG PHE A 37 0.485 6.955 -5.247 1.00 0.00 C ATOM 412 CD1 PHE A 37 0.720 5.801 -4.515 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.489 7.437 -6.070 1.00 0.00 C ATOM 414 CE1 PHE A 37 1.930 5.143 -4.603 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.704 6.781 -6.162 1.00 0.00 C ATOM 416 CZ PHE A 37 2.924 5.634 -5.427 1.00 0.00 C ATOM 0 H PHE A 37 0.885 9.550 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.897 9.169 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.632 6.934 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.018 8.202 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.053 5.413 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.322 8.335 -6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.100 4.245 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.479 7.166 -6.808 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.872 5.121 -5.496 1.00 0.00 H new ATOM 426 N ARG A 38 -1.789 7.118 -2.341 1.00 0.00 N ATOM 427 CA ARG A 38 -1.711 6.298 -1.143 1.00 0.00 C ATOM 428 C ARG A 38 -2.043 4.855 -1.464 1.00 0.00 C ATOM 429 O ARG A 38 -2.883 4.570 -2.323 1.00 0.00 O ATOM 430 CB ARG A 38 -2.644 6.819 -0.040 1.00 0.00 C ATOM 431 CG ARG A 38 -4.127 6.686 -0.354 1.00 0.00 C ATOM 432 CD ARG A 38 -4.978 7.027 0.860 1.00 0.00 C ATOM 433 NE ARG A 38 -6.407 6.926 0.576 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.230 7.973 0.526 1.00 0.00 C ATOM 435 NH1 ARG A 38 -6.775 9.196 0.758 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.515 7.793 0.255 1.00 0.00 N ATOM 0 H ARG A 38 -2.643 6.999 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.687 6.355 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.431 6.280 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.417 7.869 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.387 7.347 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.343 5.668 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.724 6.356 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.746 8.039 1.192 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.798 5.999 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.789 9.340 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.411 9.993 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.874 6.853 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.145 8.594 0.217 1.00 0.00 H new ATOM 450 N LEU A 39 -1.371 3.948 -0.786 1.00 0.00 N ATOM 451 CA LEU A 39 -1.649 2.539 -0.942 1.00 0.00 C ATOM 452 C LEU A 39 -2.607 2.091 0.136 1.00 0.00 C ATOM 453 O LEU A 39 -2.309 2.173 1.330 1.00 0.00 O ATOM 454 CB LEU A 39 -0.372 1.711 -0.881 1.00 0.00 C ATOM 455 CG LEU A 39 0.631 1.995 -1.987 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.915 1.230 -1.735 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.047 1.625 -3.342 1.00 0.00 C ATOM 0 H LEU A 39 -0.628 4.164 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.100 2.385 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.111 1.886 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.640 0.655 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 39 0.855 3.062 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.627 1.441 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.340 1.537 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.703 0.161 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.778 1.835 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.202 0.564 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.854 2.211 -3.522 1.00 0.00 H new ATOM 469 N VAL A 40 -3.764 1.654 -0.293 1.00 0.00 N ATOM 470 CA VAL A 40 -4.776 1.169 0.617 1.00 0.00 C ATOM 471 C VAL A 40 -4.632 -0.334 0.795 1.00 0.00 C ATOM 472 O VAL A 40 -4.712 -1.089 -0.171 1.00 0.00 O ATOM 473 CB VAL A 40 -6.196 1.487 0.112 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.230 1.087 1.148 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.326 2.959 -0.241 1.00 0.00 C ATOM 0 H VAL A 40 -4.032 1.623 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.632 1.676 1.571 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.376 0.907 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.228 1.319 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.155 0.017 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.051 1.637 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.337 3.160 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.124 3.564 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.611 3.210 -1.024 1.00 0.00 H new ATOM 485 N VAL A 41 -4.402 -0.764 2.019 1.00 0.00 N ATOM 486 CA VAL A 41 -4.284 -2.178 2.305 1.00 0.00 C ATOM 487 C VAL A 41 -5.647 -2.733 2.700 1.00 0.00 C ATOM 488 O VAL A 41 -6.234 -2.318 3.705 1.00 0.00 O ATOM 489 CB VAL A 41 -3.274 -2.472 3.433 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.922 -3.945 3.439 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.019 -1.625 3.294 1.00 0.00 C ATOM 0 H VAL A 41 -4.293 -0.155 2.830 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.917 -2.660 1.399 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.741 -2.211 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.208 -4.145 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.824 -4.534 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.480 -4.217 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.330 -1.859 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.540 -1.839 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.286 -0.569 3.338 1.00 0.00 H new ATOM 501 N ARG A 42 -6.156 -3.648 1.892 1.00 0.00 N ATOM 502 CA ARG A 42 -7.458 -4.248 2.134 1.00 0.00 C ATOM 503 C ARG A 42 -7.301 -5.609 2.796 1.00 0.00 C ATOM 504 O ARG A 42 -6.203 -6.163 2.839 1.00 0.00 O ATOM 505 CB ARG A 42 -8.217 -4.391 0.816 1.00 0.00 C ATOM 506 CG ARG A 42 -8.394 -3.074 0.075 1.00 0.00 C ATOM 507 CD ARG A 42 -9.007 -3.289 -1.296 1.00 0.00 C ATOM 508 NE ARG A 42 -8.192 -4.178 -2.124 1.00 0.00 N ATOM 509 CZ ARG A 42 -8.694 -5.010 -3.038 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.002 -5.037 -3.274 1.00 0.00 N ATOM 511 NH2 ARG A 42 -7.888 -5.805 -3.735 1.00 0.00 N ATOM 0 H ARG A 42 -5.683 -3.994 1.057 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.023 -3.600 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.685 -5.092 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.198 -4.822 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.030 -2.409 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.428 -2.581 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.006 -3.711 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.120 -2.328 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.180 -4.161 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.627 -4.420 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.381 -5.675 -3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.881 -5.780 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.276 -6.440 -4.433 1.00 0.00 H new ATOM 525 N ASP A 43 -8.395 -6.140 3.314 1.00 0.00 N ATOM 526 CA ASP A 43 -8.376 -7.443 3.964 1.00 0.00 C ATOM 527 C ASP A 43 -8.902 -8.513 3.015 1.00 0.00 C ATOM 528 O ASP A 43 -9.065 -8.268 1.819 1.00 0.00 O ATOM 529 CB ASP A 43 -9.227 -7.418 5.241 1.00 0.00 C ATOM 530 CG ASP A 43 -10.717 -7.425 4.957 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.131 -6.898 3.904 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.480 -7.968 5.785 1.00 0.00 O ATOM 0 H ASP A 43 -9.310 -5.690 3.298 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.346 -7.679 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.975 -8.282 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.977 -6.530 5.821 1.00 0.00 H new ATOM 537 N THR A 44 -9.194 -9.685 3.560 1.00 0.00 N ATOM 538 CA THR A 44 -9.689 -10.806 2.774 1.00 0.00 C ATOM 539 C THR A 44 -11.073 -10.521 2.187 1.00 0.00 C ATOM 540 O THR A 44 -11.504 -11.184 1.244 1.00 0.00 O ATOM 541 CB THR A 44 -9.761 -12.069 3.642 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.328 -11.760 4.978 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.892 -13.174 3.063 1.00 0.00 C ATOM 0 H THR A 44 -9.095 -9.885 4.555 1.00 0.00 H new ATOM 0 HA THR A 44 -8.991 -10.958 1.950 1.00 0.00 H new ATOM 0 HB THR A 44 -10.793 -12.418 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.376 -12.567 5.532 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.959 -14.059 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.236 -13.419 2.058 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.856 -12.837 3.019 1.00 0.00 H new ATOM 551 N GLU A 45 -11.760 -9.532 2.741 1.00 0.00 N ATOM 552 CA GLU A 45 -13.091 -9.176 2.284 1.00 0.00 C ATOM 553 C GLU A 45 -12.978 -8.141 1.172 1.00 0.00 C ATOM 554 O GLU A 45 -13.815 -8.073 0.268 1.00 0.00 O ATOM 555 CB GLU A 45 -13.907 -8.612 3.451 1.00 0.00 C ATOM 556 CG GLU A 45 -15.396 -8.488 3.167 1.00 0.00 C ATOM 557 CD GLU A 45 -16.083 -9.834 3.075 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.375 -10.425 4.136 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.332 -10.309 1.947 1.00 0.00 O ATOM 0 H GLU A 45 -11.413 -8.961 3.512 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.597 -10.062 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.767 -9.253 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.515 -7.629 3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.865 -7.898 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.540 -7.945 2.233 1.00 0.00 H new ATOM 566 N GLY A 46 -11.914 -7.355 1.237 1.00 0.00 N ATOM 567 CA GLY A 46 -11.695 -6.314 0.261 1.00 0.00 C ATOM 568 C GLY A 46 -12.050 -4.943 0.794 1.00 0.00 C ATOM 569 O GLY A 46 -12.218 -3.997 0.025 1.00 0.00 O ATOM 0 H GLY A 46 -11.194 -7.423 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.649 -6.322 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.291 -6.521 -0.628 1.00 0.00 H new ATOM 573 N ARG A 47 -12.165 -4.833 2.110 1.00 0.00 N ATOM 574 CA ARG A 47 -12.467 -3.565 2.740 1.00 0.00 C ATOM 575 C ARG A 47 -11.175 -2.869 3.146 1.00 0.00 C ATOM 576 O ARG A 47 -10.157 -3.524 3.384 1.00 0.00 O ATOM 577 CB ARG A 47 -13.367 -3.785 3.955 1.00 0.00 C ATOM 578 CG ARG A 47 -12.794 -4.762 4.957 1.00 0.00 C ATOM 579 CD ARG A 47 -13.762 -5.078 6.082 1.00 0.00 C ATOM 580 NE ARG A 47 -13.311 -6.234 6.860 1.00 0.00 N ATOM 581 CZ ARG A 47 -13.696 -6.504 8.105 1.00 0.00 C ATOM 582 NH1 ARG A 47 -14.498 -5.665 8.757 1.00 0.00 N ATOM 583 NH2 ARG A 47 -13.262 -7.608 8.700 1.00 0.00 N ATOM 0 H ARG A 47 -12.053 -5.611 2.760 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.996 -2.928 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.539 -2.828 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.338 -4.149 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.524 -5.685 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.876 -4.350 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.859 -4.211 6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.751 -5.278 5.669 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.656 -6.878 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.820 -4.811 8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.790 -5.877 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.637 -8.243 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.553 -7.821 9.654 1.00 0.00 H new ATOM 597 N MET A 48 -11.215 -1.545 3.212 1.00 0.00 N ATOM 598 CA MET A 48 -10.035 -0.763 3.558 1.00 0.00 C ATOM 599 C MET A 48 -9.725 -0.899 5.041 1.00 0.00 C ATOM 600 O MET A 48 -10.499 -0.449 5.887 1.00 0.00 O ATOM 601 CB MET A 48 -10.231 0.717 3.223 1.00 0.00 C ATOM 602 CG MET A 48 -10.630 0.985 1.782 1.00 0.00 C ATOM 603 SD MET A 48 -10.639 2.745 1.385 1.00 0.00 S ATOM 604 CE MET A 48 -11.139 2.703 -0.335 1.00 0.00 C ATOM 0 H MET A 48 -12.051 -0.990 3.031 1.00 0.00 H new ATOM 0 HA MET A 48 -9.203 -1.150 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.996 1.128 3.882 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.305 1.251 3.437 1.00 0.00 H new ATOM 0 HG2 MET A 48 -9.940 0.469 1.115 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.621 0.569 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.190 3.720 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.412 2.130 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.119 2.233 -0.418 1.00 0.00 H new ATOM 614 N VAL A 49 -8.604 -1.526 5.353 1.00 0.00 N ATOM 615 CA VAL A 49 -8.182 -1.681 6.739 1.00 0.00 C ATOM 616 C VAL A 49 -7.162 -0.607 7.104 1.00 0.00 C ATOM 617 O VAL A 49 -7.122 -0.127 8.236 1.00 0.00 O ATOM 618 CB VAL A 49 -7.570 -3.077 6.992 1.00 0.00 C ATOM 619 CG1 VAL A 49 -7.213 -3.255 8.461 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.529 -4.167 6.542 1.00 0.00 C ATOM 0 H VAL A 49 -7.969 -1.936 4.668 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.068 -1.575 7.365 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.653 -3.157 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.784 -4.245 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.487 -2.496 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.112 -3.151 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.082 -5.144 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.462 -4.083 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.731 -4.057 5.477 1.00 0.00 H new ATOM 630 N TRP A 50 -6.352 -0.220 6.130 1.00 0.00 N ATOM 631 CA TRP A 50 -5.300 0.764 6.355 1.00 0.00 C ATOM 632 C TRP A 50 -4.917 1.432 5.038 1.00 0.00 C ATOM 633 O TRP A 50 -5.119 0.864 3.970 1.00 0.00 O ATOM 634 CB TRP A 50 -4.079 0.081 6.998 1.00 0.00 C ATOM 635 CG TRP A 50 -2.906 0.993 7.207 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.718 0.964 6.534 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.810 2.070 8.148 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.889 1.955 6.999 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.534 2.645 7.991 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.674 2.602 9.109 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.106 3.726 8.753 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.247 3.675 9.866 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.972 4.226 9.685 1.00 0.00 C ATOM 0 H TRP A 50 -6.402 -0.572 5.174 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.665 1.534 7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.375 -0.338 7.960 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.769 -0.753 6.368 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.467 0.264 5.751 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.054 2.146 6.661 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.658 2.182 9.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.125 4.155 8.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.907 4.096 10.610 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.667 5.064 10.295 1.00 0.00 H new ATOM 654 N ARG A 51 -4.395 2.647 5.117 1.00 0.00 N ATOM 655 CA ARG A 51 -3.880 3.336 3.942 1.00 0.00 C ATOM 656 C ARG A 51 -2.766 4.291 4.347 1.00 0.00 C ATOM 657 O ARG A 51 -2.846 4.939 5.391 1.00 0.00 O ATOM 658 CB ARG A 51 -4.981 4.107 3.195 1.00 0.00 C ATOM 659 CG ARG A 51 -5.642 5.206 4.010 1.00 0.00 C ATOM 660 CD ARG A 51 -6.894 4.711 4.710 1.00 0.00 C ATOM 661 NE ARG A 51 -7.438 5.705 5.633 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.691 5.700 6.085 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.549 4.773 5.670 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.089 6.631 6.944 1.00 0.00 N ATOM 0 H ARG A 51 -4.317 3.178 5.985 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.489 2.578 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.552 4.547 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.746 3.401 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.937 5.584 4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.896 6.041 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.649 4.457 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.665 3.796 5.257 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.819 6.450 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.249 4.062 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.508 4.773 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.436 7.349 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.048 6.628 7.291 1.00 0.00 H new ATOM 678 N ALA A 52 -1.729 4.360 3.529 1.00 0.00 N ATOM 679 CA ALA A 52 -0.621 5.272 3.766 1.00 0.00 C ATOM 680 C ALA A 52 -0.143 5.853 2.447 1.00 0.00 C ATOM 681 O ALA A 52 -0.165 5.165 1.423 1.00 0.00 O ATOM 682 CB ALA A 52 0.519 4.560 4.483 1.00 0.00 C ATOM 0 H ALA A 52 -1.631 3.791 2.688 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.965 6.084 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.337 5.260 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.165 4.180 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.871 3.730 3.871 1.00 0.00 H new ATOM 688 N TRP A 53 0.259 7.117 2.459 1.00 0.00 N ATOM 689 CA TRP A 53 0.716 7.774 1.253 1.00 0.00 C ATOM 690 C TRP A 53 2.148 7.404 0.942 1.00 0.00 C ATOM 691 O TRP A 53 2.771 6.601 1.630 1.00 0.00 O ATOM 692 CB TRP A 53 0.631 9.290 1.385 1.00 0.00 C ATOM 693 CG TRP A 53 -0.707 9.787 1.723 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.195 9.902 2.961 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.718 10.250 0.828 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.461 10.406 2.920 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.812 10.626 1.615 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.810 10.378 -0.560 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.987 11.129 1.068 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.976 10.877 -1.105 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.053 11.245 -0.291 1.00 0.00 C ATOM 0 H TRP A 53 0.276 7.704 3.293 1.00 0.00 H new ATOM 0 HA TRP A 53 0.065 7.439 0.446 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.333 9.617 2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.949 9.744 0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.664 9.635 3.863 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.052 10.590 3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.984 10.092 -1.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.818 11.418 1.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.058 10.985 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.954 11.628 -0.746 1.00 0.00 H new ATOM 712 N ASN A 54 2.662 8.064 -0.065 1.00 0.00 N ATOM 713 CA ASN A 54 3.995 7.780 -0.586 1.00 0.00 C ATOM 714 C ASN A 54 5.031 8.635 0.133 1.00 0.00 C ATOM 715 O ASN A 54 6.185 8.246 0.294 1.00 0.00 O ATOM 716 CB ASN A 54 4.035 8.061 -2.095 1.00 0.00 C ATOM 717 CG ASN A 54 5.319 7.586 -2.753 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.405 6.452 -3.215 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.322 8.448 -2.815 1.00 0.00 N ATOM 0 H ASN A 54 2.176 8.816 -0.554 1.00 0.00 H new ATOM 0 HA ASN A 54 4.227 6.729 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.186 7.572 -2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.922 9.132 -2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.200 8.177 -3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.216 9.383 -2.421 1.00 0.00 H new ATOM 726 N PHE A 55 4.585 9.795 0.592 1.00 0.00 N ATOM 727 CA PHE A 55 5.470 10.788 1.188 1.00 0.00 C ATOM 728 C PHE A 55 5.397 10.780 2.713 1.00 0.00 C ATOM 729 O PHE A 55 5.851 11.719 3.365 1.00 0.00 O ATOM 730 CB PHE A 55 5.114 12.179 0.654 1.00 0.00 C ATOM 731 CG PHE A 55 3.636 12.464 0.628 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.967 12.871 1.774 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.915 12.321 -0.547 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.609 13.129 1.746 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.560 12.577 -0.579 1.00 0.00 C ATOM 736 CZ PHE A 55 0.906 12.981 0.568 1.00 0.00 C ATOM 0 H PHE A 55 3.605 10.075 0.563 1.00 0.00 H new ATOM 0 HA PHE A 55 6.493 10.533 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.608 12.931 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.512 12.282 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.514 12.987 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.420 12.005 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.100 13.446 2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.010 12.461 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.155 13.181 0.543 1.00 0.00 H new ATOM 746 N GLU A 56 4.840 9.722 3.279 1.00 0.00 N ATOM 747 CA GLU A 56 4.715 9.618 4.725 1.00 0.00 C ATOM 748 C GLU A 56 6.047 9.224 5.358 1.00 0.00 C ATOM 749 O GLU A 56 6.717 8.313 4.868 1.00 0.00 O ATOM 750 CB GLU A 56 3.618 8.621 5.096 1.00 0.00 C ATOM 751 CG GLU A 56 2.221 9.141 4.807 1.00 0.00 C ATOM 752 CD GLU A 56 1.923 10.420 5.560 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.469 10.335 6.718 1.00 0.00 O ATOM 754 OE2 GLU A 56 2.158 11.515 5.004 1.00 0.00 O ATOM 0 H GLU A 56 4.468 8.925 2.762 1.00 0.00 H new ATOM 0 HA GLU A 56 4.435 10.596 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.776 7.694 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.698 8.379 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.115 9.318 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.488 8.381 5.079 1.00 0.00 H new ATOM 761 N PRO A 57 6.414 9.914 6.466 1.00 0.00 N ATOM 762 CA PRO A 57 7.718 9.783 7.141 1.00 0.00 C ATOM 763 C PRO A 57 8.248 8.355 7.192 1.00 0.00 C ATOM 764 O PRO A 57 9.422 8.111 6.916 1.00 0.00 O ATOM 765 CB PRO A 57 7.414 10.289 8.547 1.00 0.00 C ATOM 766 CG PRO A 57 6.376 11.336 8.342 1.00 0.00 C ATOM 767 CD PRO A 57 5.551 10.891 7.160 1.00 0.00 C ATOM 0 HA PRO A 57 8.499 10.331 6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.049 9.487 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.304 10.699 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.754 11.446 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.835 12.306 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.612 10.438 7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.298 11.730 6.512 1.00 0.00 H new ATOM 775 N ASP A 58 7.394 7.420 7.568 1.00 0.00 N ATOM 776 CA ASP A 58 7.746 6.014 7.507 1.00 0.00 C ATOM 777 C ASP A 58 6.511 5.205 7.147 1.00 0.00 C ATOM 778 O ASP A 58 5.964 4.470 7.970 1.00 0.00 O ATOM 779 CB ASP A 58 8.344 5.527 8.830 1.00 0.00 C ATOM 780 CG ASP A 58 9.179 4.271 8.658 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.613 3.202 8.363 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.419 4.356 8.803 1.00 0.00 O ATOM 0 H ASP A 58 6.455 7.609 7.918 1.00 0.00 H new ATOM 0 HA ASP A 58 8.508 5.878 6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.962 6.316 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.540 5.332 9.539 1.00 0.00 H new ATOM 787 N ALA A 59 6.049 5.393 5.915 1.00 0.00 N ATOM 788 CA ALA A 59 4.871 4.695 5.413 1.00 0.00 C ATOM 789 C ALA A 59 5.035 3.183 5.526 1.00 0.00 C ATOM 790 O ALA A 59 4.075 2.458 5.814 1.00 0.00 O ATOM 791 CB ALA A 59 4.612 5.087 3.967 1.00 0.00 C ATOM 0 H ALA A 59 6.477 6.028 5.241 1.00 0.00 H new ATOM 0 HA ALA A 59 4.017 4.987 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.731 4.561 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.445 6.162 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.475 4.819 3.357 1.00 0.00 H new ATOM 797 N GLY A 60 6.260 2.724 5.308 1.00 0.00 N ATOM 798 CA GLY A 60 6.562 1.310 5.350 1.00 0.00 C ATOM 799 C GLY A 60 6.201 0.648 6.661 1.00 0.00 C ATOM 800 O GLY A 60 5.757 -0.494 6.664 1.00 0.00 O ATOM 0 H GLY A 60 7.062 3.319 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.028 0.810 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.627 1.170 5.164 1.00 0.00 H new ATOM 804 N GLU A 61 6.375 1.359 7.768 1.00 0.00 N ATOM 805 CA GLU A 61 6.129 0.786 9.087 1.00 0.00 C ATOM 806 C GLU A 61 4.699 0.255 9.191 1.00 0.00 C ATOM 807 O GLU A 61 4.482 -0.892 9.577 1.00 0.00 O ATOM 808 CB GLU A 61 6.408 1.840 10.172 1.00 0.00 C ATOM 809 CG GLU A 61 6.508 1.287 11.591 1.00 0.00 C ATOM 810 CD GLU A 61 5.166 1.153 12.289 1.00 0.00 C ATOM 811 OE1 GLU A 61 4.661 2.165 12.824 1.00 0.00 O ATOM 812 OE2 GLU A 61 4.612 0.037 12.324 1.00 0.00 O ATOM 0 H GLU A 61 6.685 2.331 7.780 1.00 0.00 H new ATOM 0 HA GLU A 61 6.804 -0.057 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.339 2.352 9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.616 2.588 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.990 0.310 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.151 1.939 12.181 1.00 0.00 H new ATOM 819 N GLY A 62 3.734 1.077 8.796 1.00 0.00 N ATOM 820 CA GLY A 62 2.340 0.682 8.898 1.00 0.00 C ATOM 821 C GLY A 62 1.976 -0.408 7.909 1.00 0.00 C ATOM 822 O GLY A 62 1.288 -1.374 8.252 1.00 0.00 O ATOM 0 H GLY A 62 3.890 2.007 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.137 0.333 9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.705 1.551 8.727 1.00 0.00 H new ATOM 826 N LEU A 63 2.451 -0.257 6.682 1.00 0.00 N ATOM 827 CA LEU A 63 2.152 -1.210 5.622 1.00 0.00 C ATOM 828 C LEU A 63 2.786 -2.564 5.918 1.00 0.00 C ATOM 829 O LEU A 63 2.100 -3.585 5.917 1.00 0.00 O ATOM 830 CB LEU A 63 2.658 -0.671 4.283 1.00 0.00 C ATOM 831 CG LEU A 63 2.131 0.718 3.912 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.841 1.253 2.683 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.632 0.679 3.677 1.00 0.00 C ATOM 0 H LEU A 63 3.047 0.519 6.394 1.00 0.00 H new ATOM 0 HA LEU A 63 1.072 -1.344 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.747 -0.636 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.380 -1.372 3.496 1.00 0.00 H new ATOM 0 HG LEU A 63 2.334 1.388 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.450 2.241 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.910 1.325 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.674 0.578 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.279 1.676 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.409 -0.011 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.130 0.343 4.584 1.00 0.00 H new ATOM 845 N ASN A 64 4.089 -2.561 6.196 1.00 0.00 N ATOM 846 CA ASN A 64 4.822 -3.792 6.487 1.00 0.00 C ATOM 847 C ASN A 64 4.221 -4.504 7.682 1.00 0.00 C ATOM 848 O ASN A 64 4.103 -5.727 7.679 1.00 0.00 O ATOM 849 CB ASN A 64 6.300 -3.508 6.759 1.00 0.00 C ATOM 850 CG ASN A 64 7.076 -3.143 5.511 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.810 -3.648 4.423 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.037 -2.249 5.669 1.00 0.00 N ATOM 0 H ASN A 64 4.660 -1.717 6.226 1.00 0.00 H new ATOM 0 HA ASN A 64 4.744 -4.431 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.380 -2.695 7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.754 -4.387 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.594 -1.951 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.222 -1.857 6.592 1.00 0.00 H new ATOM 859 N ARG A 65 3.843 -3.728 8.698 1.00 0.00 N ATOM 860 CA ARG A 65 3.221 -4.272 9.897 1.00 0.00 C ATOM 861 C ARG A 65 2.043 -5.166 9.527 1.00 0.00 C ATOM 862 O ARG A 65 1.956 -6.313 9.970 1.00 0.00 O ATOM 863 CB ARG A 65 2.737 -3.142 10.807 1.00 0.00 C ATOM 864 CG ARG A 65 2.183 -3.629 12.133 1.00 0.00 C ATOM 865 CD ARG A 65 1.397 -2.543 12.850 1.00 0.00 C ATOM 866 NE ARG A 65 2.194 -1.342 13.110 1.00 0.00 N ATOM 867 CZ ARG A 65 1.886 -0.442 14.041 1.00 0.00 C ATOM 868 NH1 ARG A 65 0.818 -0.621 14.813 1.00 0.00 N ATOM 869 NH2 ARG A 65 2.645 0.633 14.197 1.00 0.00 N ATOM 0 H ARG A 65 3.959 -2.715 8.710 1.00 0.00 H new ATOM 0 HA ARG A 65 3.967 -4.864 10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.565 -2.459 10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.967 -2.572 10.287 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.539 -4.492 11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.003 -3.964 12.768 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.528 -2.274 12.250 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.022 -2.936 13.795 1.00 0.00 H new ATOM 0 HE ARG A 65 3.030 -1.187 12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.234 -1.449 14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.583 0.069 15.526 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.464 0.770 13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.411 1.324 14.910 1.00 0.00 H new ATOM 883 N TYR A 66 1.149 -4.638 8.693 1.00 0.00 N ATOM 884 CA TYR A 66 -0.010 -5.393 8.246 1.00 0.00 C ATOM 885 C TYR A 66 0.430 -6.612 7.435 1.00 0.00 C ATOM 886 O TYR A 66 -0.084 -7.711 7.618 1.00 0.00 O ATOM 887 CB TYR A 66 -0.932 -4.498 7.409 1.00 0.00 C ATOM 888 CG TYR A 66 -2.212 -5.174 6.983 1.00 0.00 C ATOM 889 CD1 TYR A 66 -2.247 -5.981 5.856 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.382 -5.010 7.711 1.00 0.00 C ATOM 891 CE1 TYR A 66 -3.413 -6.607 5.464 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.553 -5.636 7.328 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.563 -6.432 6.203 1.00 0.00 C ATOM 894 OH TYR A 66 -5.725 -7.059 5.821 1.00 0.00 O ATOM 0 H TYR A 66 1.209 -3.692 8.316 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.560 -5.741 9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.177 -3.605 7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.394 -4.167 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.347 -6.122 5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.377 -4.383 8.591 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.424 -7.231 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.455 -5.502 7.907 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.441 -6.831 6.450 1.00 0.00 H new ATOM 904 N ILE A 67 1.403 -6.404 6.556 1.00 0.00 N ATOM 905 CA ILE A 67 1.900 -7.454 5.666 1.00 0.00 C ATOM 906 C ILE A 67 2.413 -8.677 6.437 1.00 0.00 C ATOM 907 O ILE A 67 2.318 -9.804 5.954 1.00 0.00 O ATOM 908 CB ILE A 67 3.037 -6.914 4.766 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.543 -5.755 3.896 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.596 -8.021 3.890 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.656 -5.032 3.160 1.00 0.00 C ATOM 0 H ILE A 67 1.871 -5.505 6.438 1.00 0.00 H new ATOM 0 HA ILE A 67 1.055 -7.766 5.053 1.00 0.00 H new ATOM 0 HB ILE A 67 3.831 -6.544 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.826 -6.137 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.010 -5.041 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.394 -7.622 3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.992 -8.818 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.803 -8.419 3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.233 -4.224 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.361 -4.620 3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.174 -5.733 2.505 1.00 0.00 H new ATOM 923 N ARG A 68 2.947 -8.455 7.631 1.00 0.00 N ATOM 924 CA ARG A 68 3.546 -9.538 8.408 1.00 0.00 C ATOM 925 C ARG A 68 2.505 -10.564 8.815 1.00 0.00 C ATOM 926 O ARG A 68 2.578 -11.728 8.426 1.00 0.00 O ATOM 927 CB ARG A 68 4.229 -8.988 9.658 1.00 0.00 C ATOM 928 CG ARG A 68 5.196 -7.871 9.351 1.00 0.00 C ATOM 929 CD ARG A 68 6.269 -8.314 8.363 1.00 0.00 C ATOM 930 NE ARG A 68 7.082 -9.411 8.888 1.00 0.00 N ATOM 931 CZ ARG A 68 7.137 -10.631 8.350 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.430 -10.916 7.263 1.00 0.00 N ATOM 933 NH2 ARG A 68 7.905 -11.566 8.898 1.00 0.00 N ATOM 0 H ARG A 68 2.979 -7.541 8.083 1.00 0.00 H new ATOM 0 HA ARG A 68 4.287 -10.024 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.470 -8.626 10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.761 -9.795 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.652 -7.020 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.667 -7.533 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.797 -8.627 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.913 -7.468 8.125 1.00 0.00 H new ATOM 0 HE ARG A 68 7.644 -9.232 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.842 -10.201 6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.475 -11.850 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.453 -11.352 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.946 -12.498 8.486 1.00 0.00 H new ATOM 947 N THR A 69 1.539 -10.122 9.593 1.00 0.00 N ATOM 948 CA THR A 69 0.518 -11.002 10.103 1.00 0.00 C ATOM 949 C THR A 69 -0.574 -11.238 9.072 1.00 0.00 C ATOM 950 O THR A 69 -1.231 -12.279 9.076 1.00 0.00 O ATOM 951 CB THR A 69 -0.099 -10.403 11.375 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.416 -9.021 11.159 1.00 0.00 O ATOM 953 CG2 THR A 69 0.853 -10.530 12.552 1.00 0.00 C ATOM 0 H THR A 69 1.443 -9.150 9.886 1.00 0.00 H new ATOM 0 HA THR A 69 0.984 -11.960 10.334 1.00 0.00 H new ATOM 0 HB THR A 69 -1.010 -10.956 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.811 -8.645 11.973 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.393 -10.098 13.441 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.071 -11.583 12.731 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.779 -10.000 12.330 1.00 0.00 H new ATOM 961 N SER A 70 -0.749 -10.284 8.173 1.00 0.00 N ATOM 962 CA SER A 70 -1.902 -10.304 7.281 1.00 0.00 C ATOM 963 C SER A 70 -1.512 -10.218 5.800 1.00 0.00 C ATOM 964 O SER A 70 -2.258 -9.681 4.985 1.00 0.00 O ATOM 965 CB SER A 70 -2.847 -9.161 7.655 1.00 0.00 C ATOM 966 OG SER A 70 -3.218 -9.232 9.027 1.00 0.00 O ATOM 0 H SER A 70 -0.118 -9.494 8.040 1.00 0.00 H new ATOM 0 HA SER A 70 -2.404 -11.263 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.364 -8.205 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.740 -9.204 7.031 1.00 0.00 H new ATOM 0 HG SER A 70 -3.821 -8.490 9.242 1.00 0.00 H new ATOM 972 N GLY A 71 -0.349 -10.756 5.452 1.00 0.00 N ATOM 973 CA GLY A 71 0.011 -10.897 4.048 1.00 0.00 C ATOM 974 C GLY A 71 -0.978 -11.770 3.288 1.00 0.00 C ATOM 975 O GLY A 71 -1.111 -12.962 3.569 1.00 0.00 O ATOM 0 H GLY A 71 0.351 -11.097 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.054 -9.911 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.009 -11.329 3.972 1.00 0.00 H new ATOM 979 N ILE A 72 -1.664 -11.183 2.313 1.00 0.00 N ATOM 980 CA ILE A 72 -2.760 -11.868 1.631 1.00 0.00 C ATOM 981 C ILE A 72 -2.272 -12.569 0.351 1.00 0.00 C ATOM 982 O ILE A 72 -3.050 -13.200 -0.362 1.00 0.00 O ATOM 983 CB ILE A 72 -3.904 -10.864 1.304 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.332 -10.110 2.568 1.00 0.00 C ATOM 985 CG2 ILE A 72 -5.115 -11.566 0.701 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.921 -10.997 3.644 1.00 0.00 C ATOM 0 H ILE A 72 -1.482 -10.237 1.977 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.147 -12.635 2.301 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.514 -10.159 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.468 -9.586 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.065 -9.351 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.892 -10.832 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.823 -12.066 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.497 -12.303 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.199 -10.389 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.806 -11.502 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.183 -11.740 3.947 1.00 0.00 H new ATOM 998 N ARG A 73 -0.972 -12.503 0.087 1.00 0.00 N ATOM 999 CA ARG A 73 -0.429 -13.057 -1.156 1.00 0.00 C ATOM 1000 C ARG A 73 -0.514 -14.577 -1.179 1.00 0.00 C ATOM 1001 O ARG A 73 -0.821 -15.176 -2.208 1.00 0.00 O ATOM 1002 CB ARG A 73 1.015 -12.620 -1.370 1.00 0.00 C ATOM 1003 CG ARG A 73 2.027 -13.241 -0.416 1.00 0.00 C ATOM 1004 CD ARG A 73 3.449 -13.010 -0.904 1.00 0.00 C ATOM 1005 NE ARG A 73 4.452 -13.606 -0.023 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.005 -14.803 -0.229 1.00 0.00 C ATOM 1007 NH1 ARG A 73 4.582 -15.579 -1.223 1.00 0.00 N ATOM 1008 NH2 ARG A 73 5.971 -15.230 0.571 1.00 0.00 N ATOM 0 H ARG A 73 -0.280 -12.079 0.704 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.041 -12.666 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.305 -12.865 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.068 -11.535 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.906 -12.812 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.839 -14.311 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.557 -13.427 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.632 -11.938 -0.983 1.00 0.00 H new ATOM 0 HE ARG A 73 4.746 -13.076 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.830 -15.260 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.010 -16.493 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.291 -14.644 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.395 -16.145 0.415 1.00 0.00 H new ATOM 1022 N THR A 74 -0.242 -15.194 -0.042 1.00 0.00 N ATOM 1023 CA THR A 74 -0.322 -16.635 0.069 1.00 0.00 C ATOM 1024 C THR A 74 -1.759 -17.043 0.353 1.00 0.00 C ATOM 1025 O THR A 74 -2.070 -18.231 0.430 1.00 0.00 O ATOM 1026 CB THR A 74 0.616 -17.163 1.178 1.00 0.00 C ATOM 1027 OG1 THR A 74 0.561 -18.591 1.237 1.00 0.00 O ATOM 1028 CG2 THR A 74 0.248 -16.584 2.536 1.00 0.00 C ATOM 0 H THR A 74 0.036 -14.717 0.816 1.00 0.00 H new ATOM 0 HA THR A 74 0.001 -17.075 -0.875 1.00 0.00 H new ATOM 0 HB THR A 74 1.630 -16.847 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.359 -18.890 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.926 -16.975 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.329 -15.498 2.502 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.775 -16.864 2.786 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.610 -16.017 0.493 1.00 0.00 N ATOM 1037 CA ASP A 75 -4.032 -16.143 0.785 1.00 0.00 C ATOM 1038 C ASP A 75 -4.316 -16.948 2.049 1.00 0.00 C ATOM 1039 O ASP A 75 -3.500 -17.732 2.532 1.00 0.00 O ATOM 1040 CB ASP A 75 -4.842 -16.674 -0.422 1.00 0.00 C ATOM 1041 CG ASP A 75 -4.778 -18.177 -0.642 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -5.410 -18.928 0.132 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -4.147 -18.612 -1.628 1.00 0.00 O ATOM 0 H ASP A 75 -2.310 -15.046 0.402 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.377 -15.128 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.886 -16.387 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.485 -16.177 -1.324 1.00 0.00 H new TER 1048 ASP A 75