USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 609 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 4 LYS NZ :NH3+ -156:sc= -0.243 (180deg=-1.1) USER MOD Set 1.2: A 5 ASN : amide:sc= 0.207 K(o=-0.035,f=-5.9) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0741 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.289 USER MOD Single : A 11 THR OG1 : rot 106:sc= 1.82 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.203 K(o=-0.2,f=-3.5!) USER MOD Single : A 16 GLN : amide:sc= -5.48! C(o=-5.5!,f=-11!) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.382 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 45 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.96) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.71) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 1.42 K(o=1.4,f=-9.4!) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= 0.748 (180deg=-0.936) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.657 X(o=-0.66,f=-0.24) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc=-0.00648 (180deg=-0.126) USER MOD Single : A 66 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.38) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.668 (180deg=-0.795) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.677 -1.924 0.702 1.00 0.00 N ATOM 2 CA GLY A 1 4.054 -1.472 -0.624 1.00 0.00 C ATOM 3 C GLY A 1 3.861 0.021 -0.804 1.00 0.00 C ATOM 4 O GLY A 1 3.437 0.729 0.110 1.00 0.00 O ATOM 0 H1 GLY A 1 4.436 -2.517 1.095 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.525 -1.101 1.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.799 -2.479 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.098 -1.725 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.461 -2.004 -1.368 1.00 0.00 H new ATOM 8 N PRO A 2 4.178 0.522 -2.007 1.00 0.00 N ATOM 9 CA PRO A 2 4.046 1.945 -2.332 1.00 0.00 C ATOM 10 C PRO A 2 2.589 2.386 -2.423 1.00 0.00 C ATOM 11 O PRO A 2 1.769 1.723 -3.058 1.00 0.00 O ATOM 12 CB PRO A 2 4.727 2.062 -3.698 1.00 0.00 C ATOM 13 CG PRO A 2 4.614 0.701 -4.295 1.00 0.00 C ATOM 14 CD PRO A 2 4.689 -0.263 -3.144 1.00 0.00 C ATOM 0 HA PRO A 2 4.488 2.581 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.237 2.810 -4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.769 2.365 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.675 0.589 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.418 0.520 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.083 -1.151 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.710 -0.603 -2.971 1.00 0.00 H new ATOM 22 N ARG A 3 2.275 3.509 -1.786 1.00 0.00 N ATOM 23 CA ARG A 3 0.917 4.038 -1.795 1.00 0.00 C ATOM 24 C ARG A 3 0.833 5.335 -0.995 1.00 0.00 C ATOM 25 O ARG A 3 1.673 5.603 -0.135 1.00 0.00 O ATOM 26 CB ARG A 3 -0.058 3.008 -1.221 1.00 0.00 C ATOM 27 CG ARG A 3 -1.066 2.493 -2.235 1.00 0.00 C ATOM 28 CD ARG A 3 -2.402 2.177 -1.581 1.00 0.00 C ATOM 29 NE ARG A 3 -3.199 1.252 -2.383 1.00 0.00 N ATOM 30 CZ ARG A 3 -4.241 0.578 -1.909 1.00 0.00 C ATOM 31 NH1 ARG A 3 -4.610 0.725 -0.644 1.00 0.00 N ATOM 32 NH2 ARG A 3 -4.916 -0.246 -2.700 1.00 0.00 N ATOM 0 H ARG A 3 2.943 4.070 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 3 0.644 4.251 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.509 2.166 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.594 3.455 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.210 3.238 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.674 1.597 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.230 1.746 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.960 3.101 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.941 1.116 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.093 1.357 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.410 0.206 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.635 -0.363 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.716 -0.763 -2.335 1.00 0.00 H new ATOM 46 N LYS A 4 -0.186 6.137 -1.284 1.00 0.00 N ATOM 47 CA LYS A 4 -0.382 7.406 -0.592 1.00 0.00 C ATOM 48 C LYS A 4 -1.670 8.082 -1.049 1.00 0.00 C ATOM 49 O LYS A 4 -2.362 7.584 -1.936 1.00 0.00 O ATOM 50 CB LYS A 4 0.810 8.334 -0.839 1.00 0.00 C ATOM 51 CG LYS A 4 1.076 9.300 0.303 1.00 0.00 C ATOM 52 CD LYS A 4 0.834 10.740 -0.117 1.00 0.00 C ATOM 53 CE LYS A 4 0.780 11.669 1.086 1.00 0.00 C ATOM 54 NZ LYS A 4 -0.292 11.277 2.043 1.00 0.00 N ATOM 0 H LYS A 4 -0.890 5.931 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.460 7.201 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.701 7.730 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.634 8.903 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.432 9.053 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.105 9.187 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.628 11.062 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.102 10.806 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.743 11.659 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.609 12.691 0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.575 12.105 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.114 10.919 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.064 10.533 2.677 1.00 0.00 H new ATOM 68 N ASN A 5 -1.985 9.220 -0.438 1.00 0.00 N ATOM 69 CA ASN A 5 -3.190 9.965 -0.784 1.00 0.00 C ATOM 70 C ASN A 5 -3.293 10.163 -2.293 1.00 0.00 C ATOM 71 O ASN A 5 -4.391 10.242 -2.845 1.00 0.00 O ATOM 72 CB ASN A 5 -3.196 11.322 -0.078 1.00 0.00 C ATOM 73 CG ASN A 5 -3.632 11.219 1.371 1.00 0.00 C ATOM 74 OD1 ASN A 5 -3.021 10.505 2.165 1.00 0.00 O ATOM 75 ND2 ASN A 5 -4.695 11.934 1.720 1.00 0.00 N ATOM 0 H ASN A 5 -1.423 9.646 0.299 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.052 9.387 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.197 11.757 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.864 12.001 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.036 11.905 2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.170 12.512 1.027 1.00 0.00 H new ATOM 82 N ARG A 6 -2.143 10.242 -2.954 1.00 0.00 N ATOM 83 CA ARG A 6 -2.103 10.432 -4.399 1.00 0.00 C ATOM 84 C ARG A 6 -1.901 9.100 -5.116 1.00 0.00 C ATOM 85 O ARG A 6 -1.946 8.037 -4.497 1.00 0.00 O ATOM 86 CB ARG A 6 -0.983 11.402 -4.776 1.00 0.00 C ATOM 87 CG ARG A 6 -0.930 12.643 -3.900 1.00 0.00 C ATOM 88 CD ARG A 6 -2.226 13.435 -3.977 1.00 0.00 C ATOM 89 NE ARG A 6 -2.533 13.850 -5.343 1.00 0.00 N ATOM 90 CZ ARG A 6 -3.616 14.544 -5.674 1.00 0.00 C ATOM 91 NH1 ARG A 6 -4.491 14.898 -4.742 1.00 0.00 N ATOM 92 NH2 ARG A 6 -3.826 14.885 -6.939 1.00 0.00 N ATOM 0 H ARG A 6 -1.226 10.177 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.059 10.853 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.027 10.882 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.112 11.706 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.741 12.352 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.098 13.274 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.045 12.829 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.151 14.315 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.880 13.593 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.333 14.637 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.322 15.431 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.155 14.614 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.658 15.418 -7.192 1.00 0.00 H new ATOM 106 N ARG A 7 -1.679 9.167 -6.425 1.00 0.00 N ATOM 107 CA ARG A 7 -1.471 7.967 -7.227 1.00 0.00 C ATOM 108 C ARG A 7 0.010 7.766 -7.530 1.00 0.00 C ATOM 109 O ARG A 7 0.648 8.617 -8.148 1.00 0.00 O ATOM 110 CB ARG A 7 -2.263 8.058 -8.533 1.00 0.00 C ATOM 111 CG ARG A 7 -3.763 7.904 -8.348 1.00 0.00 C ATOM 112 CD ARG A 7 -4.462 7.626 -9.670 1.00 0.00 C ATOM 113 NE ARG A 7 -5.903 7.454 -9.502 1.00 0.00 N ATOM 114 CZ ARG A 7 -6.453 6.393 -8.922 1.00 0.00 C ATOM 115 NH1 ARG A 7 -5.688 5.415 -8.457 1.00 0.00 N ATOM 116 NH2 ARG A 7 -7.773 6.309 -8.807 1.00 0.00 N ATOM 0 H ARG A 7 -1.639 10.039 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.826 7.110 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.061 9.020 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.909 7.287 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.963 7.090 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.171 8.812 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.273 8.449 -10.360 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.040 6.728 -10.121 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.520 8.188 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.674 5.476 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.114 4.602 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.365 7.059 -9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.195 5.494 -8.362 1.00 0.00 H new ATOM 130 N GLU A 8 0.550 6.633 -7.091 1.00 0.00 N ATOM 131 CA GLU A 8 1.957 6.321 -7.315 1.00 0.00 C ATOM 132 C GLU A 8 2.330 6.513 -8.782 1.00 0.00 C ATOM 133 O GLU A 8 1.461 6.683 -9.638 1.00 0.00 O ATOM 134 CB GLU A 8 2.258 4.884 -6.885 1.00 0.00 C ATOM 135 CG GLU A 8 1.154 3.900 -7.234 1.00 0.00 C ATOM 136 CD GLU A 8 0.195 3.667 -6.083 1.00 0.00 C ATOM 137 OE1 GLU A 8 0.222 4.461 -5.119 1.00 0.00 O ATOM 138 OE2 GLU A 8 -0.582 2.691 -6.146 1.00 0.00 O ATOM 0 H GLU A 8 0.035 5.917 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 8 2.555 7.006 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.185 4.559 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.424 4.863 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.599 4.273 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.599 2.950 -7.529 1.00 0.00 H new ATOM 145 N ARG A 9 3.628 6.484 -9.066 1.00 0.00 N ATOM 146 CA ARG A 9 4.117 6.656 -10.428 1.00 0.00 C ATOM 147 C ARG A 9 3.379 5.731 -11.392 1.00 0.00 C ATOM 148 O ARG A 9 3.158 6.074 -12.554 1.00 0.00 O ATOM 149 CB ARG A 9 5.620 6.382 -10.492 1.00 0.00 C ATOM 150 CG ARG A 9 6.300 6.995 -11.705 1.00 0.00 C ATOM 151 CD ARG A 9 6.399 6.001 -12.851 1.00 0.00 C ATOM 152 NE ARG A 9 6.381 6.662 -14.153 1.00 0.00 N ATOM 153 CZ ARG A 9 6.279 6.011 -15.307 1.00 0.00 C ATOM 154 NH1 ARG A 9 6.186 4.689 -15.319 1.00 0.00 N ATOM 155 NH2 ARG A 9 6.271 6.684 -16.450 1.00 0.00 N ATOM 0 H ARG A 9 4.360 6.343 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 9 3.930 7.688 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.090 6.769 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.784 5.304 -10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.742 7.873 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.298 7.335 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.318 5.423 -12.751 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.570 5.295 -12.791 1.00 0.00 H new ATOM 0 HE ARG A 9 6.451 7.679 -14.178 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.193 4.169 -14.441 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.108 4.191 -16.206 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.343 7.701 -16.443 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.193 6.184 -17.336 1.00 0.00 H new ATOM 169 N THR A 10 2.999 4.556 -10.901 1.00 0.00 N ATOM 170 CA THR A 10 2.287 3.580 -11.718 1.00 0.00 C ATOM 171 C THR A 10 1.815 2.400 -10.877 1.00 0.00 C ATOM 172 O THR A 10 1.879 2.433 -9.648 1.00 0.00 O ATOM 173 CB THR A 10 3.171 3.058 -12.866 1.00 0.00 C ATOM 174 OG1 THR A 10 2.359 2.419 -13.858 1.00 0.00 O ATOM 175 CG2 THR A 10 4.210 2.076 -12.345 1.00 0.00 C ATOM 0 H THR A 10 3.172 4.257 -9.941 1.00 0.00 H new ATOM 0 HA THR A 10 1.421 4.091 -12.140 1.00 0.00 H new ATOM 0 HB THR A 10 3.688 3.907 -13.312 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.928 2.091 -14.585 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.823 1.721 -13.174 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.845 2.573 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.708 1.230 -11.876 1.00 0.00 H new ATOM 183 N THR A 11 1.340 1.354 -11.548 1.00 0.00 N ATOM 184 CA THR A 11 0.856 0.163 -10.863 1.00 0.00 C ATOM 185 C THR A 11 1.801 -0.247 -9.738 1.00 0.00 C ATOM 186 O THR A 11 1.379 -0.427 -8.595 1.00 0.00 O ATOM 187 CB THR A 11 0.694 -1.019 -11.837 1.00 0.00 C ATOM 188 OG1 THR A 11 1.936 -1.282 -12.500 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.384 -0.725 -12.869 1.00 0.00 C ATOM 0 H THR A 11 1.281 1.309 -12.565 1.00 0.00 H new ATOM 0 HA THR A 11 -0.118 0.415 -10.443 1.00 0.00 H new ATOM 0 HB THR A 11 0.396 -1.896 -11.262 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.338 -2.096 -12.131 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.481 -1.574 -13.546 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.334 -0.554 -12.364 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.110 0.164 -13.438 1.00 0.00 H new ATOM 197 N TYR A 12 3.079 -0.392 -10.069 1.00 0.00 N ATOM 198 CA TYR A 12 4.083 -0.782 -9.087 1.00 0.00 C ATOM 199 C TYR A 12 5.489 -0.470 -9.591 1.00 0.00 C ATOM 200 O TYR A 12 6.011 -1.154 -10.472 1.00 0.00 O ATOM 201 CB TYR A 12 3.963 -2.273 -8.768 1.00 0.00 C ATOM 202 CG TYR A 12 3.731 -3.136 -9.988 1.00 0.00 C ATOM 203 CD1 TYR A 12 2.451 -3.327 -10.494 1.00 0.00 C ATOM 204 CD2 TYR A 12 4.791 -3.759 -10.634 1.00 0.00 C ATOM 205 CE1 TYR A 12 2.234 -4.116 -11.608 1.00 0.00 C ATOM 206 CE2 TYR A 12 4.584 -4.548 -11.749 1.00 0.00 C ATOM 207 CZ TYR A 12 3.304 -4.724 -12.231 1.00 0.00 C ATOM 208 OH TYR A 12 3.092 -5.509 -13.342 1.00 0.00 O ATOM 0 H TYR A 12 3.444 -0.245 -11.010 1.00 0.00 H new ATOM 0 HA TYR A 12 3.907 -0.207 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.873 -2.603 -8.267 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.142 -2.421 -8.067 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.612 -2.851 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.794 -3.624 -10.258 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.233 -4.256 -11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.420 -5.024 -12.240 1.00 0.00 H new ATOM 0 HH TYR A 12 3.949 -5.862 -13.661 1.00 0.00 H new ATOM 218 N SER A 13 6.096 0.569 -9.026 1.00 0.00 N ATOM 219 CA SER A 13 7.441 0.975 -9.420 1.00 0.00 C ATOM 220 C SER A 13 8.269 1.366 -8.200 1.00 0.00 C ATOM 221 O SER A 13 7.725 1.736 -7.159 1.00 0.00 O ATOM 222 CB SER A 13 7.375 2.145 -10.403 1.00 0.00 C ATOM 223 OG SER A 13 7.887 1.775 -11.671 1.00 0.00 O ATOM 0 H SER A 13 5.679 1.145 -8.295 1.00 0.00 H new ATOM 0 HA SER A 13 7.923 0.127 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.343 2.479 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.944 2.987 -10.009 1.00 0.00 H new ATOM 0 HG SER A 13 7.832 2.539 -12.282 1.00 0.00 H new ATOM 229 N ARG A 14 9.588 1.282 -8.336 1.00 0.00 N ATOM 230 CA ARG A 14 10.493 1.626 -7.246 1.00 0.00 C ATOM 231 C ARG A 14 10.687 3.137 -7.157 1.00 0.00 C ATOM 232 O ARG A 14 11.126 3.656 -6.131 1.00 0.00 O ATOM 233 CB ARG A 14 11.845 0.938 -7.440 1.00 0.00 C ATOM 234 CG ARG A 14 12.560 1.350 -8.716 1.00 0.00 C ATOM 235 CD ARG A 14 12.475 0.264 -9.778 1.00 0.00 C ATOM 236 NE ARG A 14 13.626 -0.633 -9.736 1.00 0.00 N ATOM 237 CZ ARG A 14 13.808 -1.635 -10.589 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.919 -1.866 -11.546 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.881 -2.409 -10.487 1.00 0.00 N ATOM 0 H ARG A 14 10.054 0.978 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 14 10.047 1.278 -6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.484 1.164 -6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.696 -0.142 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.120 2.271 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.606 1.564 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.561 -0.312 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.410 0.725 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 14 14.329 -0.482 -9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.093 -1.273 -11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.062 -2.636 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.567 -2.235 -9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.019 -3.178 -11.143 1.00 0.00 H new ATOM 253 N GLN A 15 10.358 3.836 -8.239 1.00 0.00 N ATOM 254 CA GLN A 15 10.498 5.286 -8.283 1.00 0.00 C ATOM 255 C GLN A 15 9.747 5.941 -7.128 1.00 0.00 C ATOM 256 O GLN A 15 10.320 6.715 -6.362 1.00 0.00 O ATOM 257 CB GLN A 15 9.981 5.830 -9.616 1.00 0.00 C ATOM 258 CG GLN A 15 10.730 5.290 -10.824 1.00 0.00 C ATOM 259 CD GLN A 15 12.048 6.000 -11.059 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.729 6.398 -10.114 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.416 6.163 -12.325 1.00 0.00 N ATOM 0 H GLN A 15 9.993 3.421 -9.096 1.00 0.00 H new ATOM 0 HA GLN A 15 11.557 5.526 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.924 5.584 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.055 6.917 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.915 4.225 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.104 5.392 -11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.821 5.817 -13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.294 6.634 -12.544 1.00 0.00 H new ATOM 270 N GLN A 16 8.461 5.624 -7.010 1.00 0.00 N ATOM 271 CA GLN A 16 7.632 6.183 -5.949 1.00 0.00 C ATOM 272 C GLN A 16 8.243 5.910 -4.579 1.00 0.00 C ATOM 273 O GLN A 16 8.072 6.693 -3.643 1.00 0.00 O ATOM 274 CB GLN A 16 6.219 5.600 -6.016 1.00 0.00 C ATOM 275 CG GLN A 16 6.192 4.097 -6.244 1.00 0.00 C ATOM 276 CD GLN A 16 5.838 3.729 -7.671 1.00 0.00 C ATOM 277 OE1 GLN A 16 6.453 4.215 -8.620 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.842 2.866 -7.830 1.00 0.00 N ATOM 0 H GLN A 16 7.972 4.984 -7.635 1.00 0.00 H new ATOM 0 HA GLN A 16 7.580 7.262 -6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.696 5.828 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.670 6.091 -6.819 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.167 3.678 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.469 3.644 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.360 2.488 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.559 2.581 -8.768 1.00 0.00 H new ATOM 287 N LEU A 17 8.956 4.795 -4.467 1.00 0.00 N ATOM 288 CA LEU A 17 9.594 4.418 -3.210 1.00 0.00 C ATOM 289 C LEU A 17 10.998 5.005 -3.114 1.00 0.00 C ATOM 290 O LEU A 17 11.612 4.999 -2.047 1.00 0.00 O ATOM 291 CB LEU A 17 9.656 2.894 -3.084 1.00 0.00 C ATOM 292 CG LEU A 17 8.327 2.153 -3.239 1.00 0.00 C ATOM 293 CD1 LEU A 17 8.525 0.860 -4.014 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.712 1.872 -1.876 1.00 0.00 C ATOM 0 H LEU A 17 9.107 4.136 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 17 8.996 4.820 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.350 2.515 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.075 2.647 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 17 7.641 2.788 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.569 0.346 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.921 1.086 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.227 0.219 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.767 1.344 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.394 1.257 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.534 2.813 -1.356 1.00 0.00 H new ATOM 306 N GLU A 18 11.500 5.513 -4.236 1.00 0.00 N ATOM 307 CA GLU A 18 12.832 6.105 -4.277 1.00 0.00 C ATOM 308 C GLU A 18 12.856 7.440 -3.537 1.00 0.00 C ATOM 309 O GLU A 18 13.792 7.731 -2.792 1.00 0.00 O ATOM 310 CB GLU A 18 13.282 6.303 -5.725 1.00 0.00 C ATOM 311 CG GLU A 18 13.710 5.017 -6.411 1.00 0.00 C ATOM 312 CD GLU A 18 15.217 4.888 -6.519 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.908 5.139 -5.509 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.706 4.535 -7.613 1.00 0.00 O ATOM 0 H GLU A 18 11.005 5.526 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 18 13.521 5.422 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.467 6.753 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.112 7.009 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.315 4.165 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.273 4.979 -7.409 1.00 0.00 H new ATOM 321 N ILE A 19 11.822 8.246 -3.750 1.00 0.00 N ATOM 322 CA ILE A 19 11.725 9.549 -3.104 1.00 0.00 C ATOM 323 C ILE A 19 12.101 9.461 -1.629 1.00 0.00 C ATOM 324 O ILE A 19 12.744 10.361 -1.086 1.00 0.00 O ATOM 325 CB ILE A 19 10.305 10.133 -3.226 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.837 10.095 -4.682 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.269 11.556 -2.689 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.684 9.146 -4.922 1.00 0.00 C ATOM 0 H ILE A 19 11.040 8.020 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 19 12.426 10.208 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 19 9.626 9.524 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.540 11.099 -4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.674 9.804 -5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.259 11.955 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.564 11.556 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.959 12.178 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.405 9.171 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.983 8.134 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.831 9.448 -4.314 1.00 0.00 H new ATOM 340 N LEU A 20 11.698 8.371 -0.985 1.00 0.00 N ATOM 341 CA LEU A 20 11.995 8.164 0.428 1.00 0.00 C ATOM 342 C LEU A 20 13.251 7.316 0.602 1.00 0.00 C ATOM 343 O LEU A 20 14.247 7.774 1.161 1.00 0.00 O ATOM 344 CB LEU A 20 10.811 7.490 1.124 1.00 0.00 C ATOM 345 CG LEU A 20 9.449 7.665 0.452 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.208 9.126 0.106 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.355 6.797 -0.795 1.00 0.00 C ATOM 0 H LEU A 20 11.165 7.617 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 20 12.171 9.138 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.021 6.423 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.745 7.877 2.141 1.00 0.00 H new ATOM 0 HG LEU A 20 8.676 7.347 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.234 9.231 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.232 9.724 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.985 9.471 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.379 6.934 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.136 7.085 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.482 5.750 -0.520 1.00 0.00 H new ATOM 359 N GLU A 21 13.197 6.080 0.117 1.00 0.00 N ATOM 360 CA GLU A 21 14.332 5.170 0.218 1.00 0.00 C ATOM 361 C GLU A 21 15.635 5.886 -0.123 1.00 0.00 C ATOM 362 O GLU A 21 16.704 5.524 0.371 1.00 0.00 O ATOM 363 CB GLU A 21 14.137 3.971 -0.713 1.00 0.00 C ATOM 364 CG GLU A 21 14.605 2.654 -0.116 1.00 0.00 C ATOM 365 CD GLU A 21 16.064 2.688 0.298 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.926 2.891 -0.581 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.342 2.510 1.503 1.00 0.00 O ATOM 0 H GLU A 21 12.380 5.686 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 21 14.391 4.816 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.081 3.889 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.678 4.151 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.990 2.414 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.456 1.856 -0.843 1.00 0.00 H new ATOM 374 N THR A 22 15.540 6.904 -0.971 1.00 0.00 N ATOM 375 CA THR A 22 16.710 7.671 -1.380 1.00 0.00 C ATOM 376 C THR A 22 16.918 8.881 -0.477 1.00 0.00 C ATOM 377 O THR A 22 18.014 9.103 0.039 1.00 0.00 O ATOM 378 CB THR A 22 16.587 8.148 -2.840 1.00 0.00 C ATOM 379 OG1 THR A 22 16.264 7.043 -3.691 1.00 0.00 O ATOM 380 CG2 THR A 22 17.882 8.794 -3.309 1.00 0.00 C ATOM 0 H THR A 22 14.664 7.217 -1.389 1.00 0.00 H new ATOM 0 HA THR A 22 17.569 7.006 -1.294 1.00 0.00 H new ATOM 0 HB THR A 22 15.790 8.890 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.311 6.831 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.771 9.123 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.110 9.653 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.694 8.070 -3.244 1.00 0.00 H new ATOM 388 N LEU A 23 15.860 9.662 -0.290 1.00 0.00 N ATOM 389 CA LEU A 23 15.926 10.851 0.553 1.00 0.00 C ATOM 390 C LEU A 23 15.865 10.475 2.030 1.00 0.00 C ATOM 391 O LEU A 23 16.820 10.692 2.776 1.00 0.00 O ATOM 392 CB LEU A 23 14.782 11.807 0.211 1.00 0.00 C ATOM 393 CG LEU A 23 14.907 13.228 0.762 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.975 14.172 0.019 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.611 13.248 2.255 1.00 0.00 C ATOM 0 H LEU A 23 14.946 9.494 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 23 16.877 11.349 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.696 11.866 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.852 11.376 0.581 1.00 0.00 H new ATOM 0 HG LEU A 23 15.931 13.568 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.078 15.179 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.233 14.179 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.945 13.836 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.705 14.267 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.597 12.888 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.319 12.603 2.775 1.00 0.00 H new ATOM 407 N PHE A 24 14.737 9.909 2.446 1.00 0.00 N ATOM 408 CA PHE A 24 14.552 9.502 3.834 1.00 0.00 C ATOM 409 C PHE A 24 15.783 8.764 4.352 1.00 0.00 C ATOM 410 O PHE A 24 16.120 8.851 5.532 1.00 0.00 O ATOM 411 CB PHE A 24 13.316 8.610 3.965 1.00 0.00 C ATOM 412 CG PHE A 24 13.190 7.955 5.311 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.123 8.719 6.465 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.138 6.575 5.422 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.007 8.119 7.705 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.021 5.970 6.659 1.00 0.00 C ATOM 417 CZ PHE A 24 12.957 6.743 7.802 1.00 0.00 C ATOM 0 H PHE A 24 13.937 9.722 1.842 1.00 0.00 H new ATOM 0 HA PHE A 24 14.409 10.400 4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.424 9.208 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.351 7.838 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.162 9.796 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.189 5.965 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.956 8.726 8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.980 4.893 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 24 12.868 6.272 8.770 1.00 0.00 H new ATOM 427 N ASN A 25 16.449 8.036 3.461 1.00 0.00 N ATOM 428 CA ASN A 25 17.641 7.281 3.828 1.00 0.00 C ATOM 429 C ASN A 25 18.884 8.165 3.770 1.00 0.00 C ATOM 430 O ASN A 25 19.768 8.065 4.619 1.00 0.00 O ATOM 431 CB ASN A 25 17.813 6.077 2.900 1.00 0.00 C ATOM 432 CG ASN A 25 18.793 5.058 3.451 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.007 5.251 3.387 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.268 3.967 3.994 1.00 0.00 N ATOM 0 H ASN A 25 16.183 7.953 2.480 1.00 0.00 H new ATOM 0 HA ASN A 25 17.516 6.927 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.845 5.600 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.159 6.420 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 25 18.877 3.246 4.380 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.255 3.850 4.025 1.00 0.00 H new ATOM 441 N GLU A 26 18.942 9.029 2.761 1.00 0.00 N ATOM 442 CA GLU A 26 20.076 9.929 2.592 1.00 0.00 C ATOM 443 C GLU A 26 20.335 10.723 3.869 1.00 0.00 C ATOM 444 O GLU A 26 21.471 10.821 4.334 1.00 0.00 O ATOM 445 CB GLU A 26 19.826 10.887 1.425 1.00 0.00 C ATOM 446 CG GLU A 26 20.552 10.494 0.149 1.00 0.00 C ATOM 447 CD GLU A 26 22.022 10.862 0.177 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.331 12.072 0.188 1.00 0.00 O ATOM 449 OE2 GLU A 26 22.864 9.940 0.188 1.00 0.00 O ATOM 0 H GLU A 26 18.218 9.124 2.049 1.00 0.00 H new ATOM 0 HA GLU A 26 20.957 9.325 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.755 10.931 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.138 11.890 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.453 9.419 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.075 10.982 -0.701 1.00 0.00 H new ATOM 456 N THR A 27 19.273 11.291 4.432 1.00 0.00 N ATOM 457 CA THR A 27 19.384 12.078 5.654 1.00 0.00 C ATOM 458 C THR A 27 18.019 12.582 6.109 1.00 0.00 C ATOM 459 O THR A 27 17.011 12.359 5.440 1.00 0.00 O ATOM 460 CB THR A 27 20.326 13.281 5.463 1.00 0.00 C ATOM 461 OG1 THR A 27 20.558 13.505 4.068 1.00 0.00 O ATOM 462 CG2 THR A 27 21.651 13.049 6.172 1.00 0.00 C ATOM 0 H THR A 27 18.326 11.221 4.061 1.00 0.00 H new ATOM 0 HA THR A 27 19.798 11.420 6.418 1.00 0.00 H new ATOM 0 HB THR A 27 19.849 14.160 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.157 14.273 3.955 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.300 13.912 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.473 12.909 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.131 12.160 5.764 1.00 0.00 H new ATOM 470 N GLN A 28 17.996 13.262 7.251 1.00 0.00 N ATOM 471 CA GLN A 28 16.753 13.798 7.794 1.00 0.00 C ATOM 472 C GLN A 28 16.663 15.303 7.565 1.00 0.00 C ATOM 473 O GLN A 28 16.251 16.053 8.451 1.00 0.00 O ATOM 474 CB GLN A 28 16.652 13.491 9.289 1.00 0.00 C ATOM 475 CG GLN A 28 16.709 12.006 9.611 1.00 0.00 C ATOM 476 CD GLN A 28 16.632 11.728 11.099 1.00 0.00 C ATOM 477 OE1 GLN A 28 16.094 12.528 11.865 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.170 10.588 11.517 1.00 0.00 N ATOM 0 H GLN A 28 18.822 13.455 7.817 1.00 0.00 H new ATOM 0 HA GLN A 28 15.923 13.320 7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.463 13.999 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.719 13.902 9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.887 11.497 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.634 11.587 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.606 9.954 10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.147 10.346 12.508 1.00 0.00 H new ATOM 487 N TYR A 29 17.052 15.739 6.372 1.00 0.00 N ATOM 488 CA TYR A 29 17.018 17.156 6.028 1.00 0.00 C ATOM 489 C TYR A 29 15.971 17.430 4.953 1.00 0.00 C ATOM 490 O TYR A 29 16.283 17.598 3.774 1.00 0.00 O ATOM 491 CB TYR A 29 18.394 17.618 5.544 1.00 0.00 C ATOM 492 CG TYR A 29 19.509 17.323 6.522 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.346 17.554 7.882 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.726 16.815 6.085 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.363 17.287 8.779 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.748 16.544 6.975 1.00 0.00 C ATOM 497 CZ TYR A 29 21.561 16.781 8.320 1.00 0.00 C ATOM 498 OH TYR A 29 22.577 16.514 9.210 1.00 0.00 O ATOM 0 H TYR A 29 17.394 15.132 5.627 1.00 0.00 H new ATOM 0 HA TYR A 29 16.748 17.715 6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.618 17.133 4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.362 18.691 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.409 17.949 8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.876 16.629 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.220 17.474 9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.688 16.149 6.619 1.00 0.00 H new ATOM 0 HH TYR A 29 23.352 16.162 8.725 1.00 0.00 H new ATOM 508 N PRO A 30 14.696 17.477 5.368 1.00 0.00 N ATOM 509 CA PRO A 30 13.576 17.732 4.458 1.00 0.00 C ATOM 510 C PRO A 30 13.563 19.166 3.942 1.00 0.00 C ATOM 511 O PRO A 30 12.798 20.003 4.423 1.00 0.00 O ATOM 512 CB PRO A 30 12.345 17.466 5.328 1.00 0.00 C ATOM 513 CG PRO A 30 12.808 17.706 6.724 1.00 0.00 C ATOM 514 CD PRO A 30 14.251 17.286 6.759 1.00 0.00 C ATOM 0 HA PRO A 30 13.627 17.109 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.523 18.131 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.983 16.446 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.700 18.756 6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.217 17.130 7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.830 17.895 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.360 16.249 7.077 1.00 0.00 H new ATOM 522 N ASP A 31 14.414 19.444 2.960 1.00 0.00 N ATOM 523 CA ASP A 31 14.499 20.778 2.377 1.00 0.00 C ATOM 524 C ASP A 31 14.377 20.716 0.858 1.00 0.00 C ATOM 525 O ASP A 31 14.341 19.634 0.271 1.00 0.00 O ATOM 526 CB ASP A 31 15.819 21.446 2.768 1.00 0.00 C ATOM 527 CG ASP A 31 15.712 22.957 2.812 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.586 23.468 2.986 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.755 23.629 2.674 1.00 0.00 O ATOM 0 H ASP A 31 15.054 18.763 2.551 1.00 0.00 H new ATOM 0 HA ASP A 31 13.671 21.371 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.134 21.078 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.593 21.160 2.055 1.00 0.00 H new ATOM 534 N VAL A 32 14.312 21.884 0.226 1.00 0.00 N ATOM 535 CA VAL A 32 14.193 21.962 -1.225 1.00 0.00 C ATOM 536 C VAL A 32 15.275 21.135 -1.910 1.00 0.00 C ATOM 537 O VAL A 32 15.003 20.407 -2.866 1.00 0.00 O ATOM 538 CB VAL A 32 14.287 23.419 -1.718 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.029 24.190 -1.349 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.524 24.096 -1.146 1.00 0.00 C ATOM 0 H VAL A 32 14.340 22.789 0.696 1.00 0.00 H new ATOM 0 HA VAL A 32 13.214 21.560 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 32 14.374 23.412 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.114 25.217 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.163 23.716 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.907 24.191 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.575 25.124 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.470 24.094 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.415 23.556 -1.466 1.00 0.00 H new ATOM 550 N PHE A 33 16.503 21.250 -1.416 1.00 0.00 N ATOM 551 CA PHE A 33 17.627 20.513 -1.981 1.00 0.00 C ATOM 552 C PHE A 33 17.339 19.015 -2.003 1.00 0.00 C ATOM 553 O PHE A 33 17.920 18.271 -2.792 1.00 0.00 O ATOM 554 CB PHE A 33 18.900 20.787 -1.177 1.00 0.00 C ATOM 555 CG PHE A 33 20.061 21.225 -2.024 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.114 22.511 -2.537 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.098 20.352 -2.306 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.181 22.916 -3.317 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.168 20.751 -3.085 1.00 0.00 C ATOM 560 CZ PHE A 33 22.209 22.036 -3.591 1.00 0.00 C ATOM 0 H PHE A 33 16.745 21.847 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 33 17.773 20.852 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.692 21.557 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.178 19.884 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.313 23.204 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.071 19.347 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.210 23.921 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.970 20.060 -3.298 1.00 0.00 H new ATOM 0 HZ PHE A 33 23.044 22.351 -4.200 1.00 0.00 H new ATOM 570 N ALA A 34 16.437 18.579 -1.129 1.00 0.00 N ATOM 571 CA ALA A 34 16.070 17.171 -1.048 1.00 0.00 C ATOM 572 C ALA A 34 14.955 16.837 -2.033 1.00 0.00 C ATOM 573 O ALA A 34 15.150 16.055 -2.964 1.00 0.00 O ATOM 574 CB ALA A 34 15.648 16.816 0.370 1.00 0.00 C ATOM 0 H ALA A 34 15.947 19.181 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 34 16.944 16.577 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.377 15.761 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.474 17.008 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.790 17.424 0.657 1.00 0.00 H new ATOM 580 N ARG A 35 13.786 17.433 -1.821 1.00 0.00 N ATOM 581 CA ARG A 35 12.639 17.197 -2.689 1.00 0.00 C ATOM 582 C ARG A 35 12.984 17.508 -4.143 1.00 0.00 C ATOM 583 O ARG A 35 12.645 16.746 -5.047 1.00 0.00 O ATOM 584 CB ARG A 35 11.450 18.049 -2.243 1.00 0.00 C ATOM 585 CG ARG A 35 11.764 19.534 -2.155 1.00 0.00 C ATOM 586 CD ARG A 35 10.580 20.323 -1.617 1.00 0.00 C ATOM 587 NE ARG A 35 10.958 21.183 -0.499 1.00 0.00 N ATOM 588 CZ ARG A 35 11.086 20.751 0.750 1.00 0.00 C ATOM 589 NH1 ARG A 35 10.867 19.476 1.040 1.00 0.00 N ATOM 590 NH2 ARG A 35 11.433 21.595 1.713 1.00 0.00 N ATOM 0 H ARG A 35 13.609 18.083 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 35 12.370 16.143 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.626 17.901 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.109 17.700 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.628 19.687 -1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.034 19.909 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.157 20.932 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.800 19.633 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 35 11.133 22.170 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.599 18.824 0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.966 19.147 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.602 22.577 1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.531 21.262 2.672 1.00 0.00 H new ATOM 604 N GLU A 36 13.661 18.632 -4.357 1.00 0.00 N ATOM 605 CA GLU A 36 14.051 19.043 -5.701 1.00 0.00 C ATOM 606 C GLU A 36 14.991 18.020 -6.332 1.00 0.00 C ATOM 607 O GLU A 36 15.062 17.899 -7.555 1.00 0.00 O ATOM 608 CB GLU A 36 14.726 20.416 -5.662 1.00 0.00 C ATOM 609 CG GLU A 36 15.064 20.967 -7.037 1.00 0.00 C ATOM 610 CD GLU A 36 15.556 22.401 -6.986 1.00 0.00 C ATOM 611 OE1 GLU A 36 16.570 22.655 -6.304 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.927 23.267 -7.629 1.00 0.00 O ATOM 0 H GLU A 36 13.950 19.273 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 36 13.149 19.106 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.070 21.120 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.641 20.345 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.828 20.341 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.181 20.912 -7.673 1.00 0.00 H new ATOM 619 N ARG A 37 15.710 17.287 -5.489 1.00 0.00 N ATOM 620 CA ARG A 37 16.647 16.275 -5.963 1.00 0.00 C ATOM 621 C ARG A 37 15.906 15.030 -6.441 1.00 0.00 C ATOM 622 O ARG A 37 15.965 14.673 -7.618 1.00 0.00 O ATOM 623 CB ARG A 37 17.632 15.902 -4.854 1.00 0.00 C ATOM 624 CG ARG A 37 18.674 14.881 -5.283 1.00 0.00 C ATOM 625 CD ARG A 37 19.053 13.957 -4.137 1.00 0.00 C ATOM 626 NE ARG A 37 20.434 13.495 -4.240 1.00 0.00 N ATOM 627 CZ ARG A 37 21.488 14.281 -4.051 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.319 15.561 -3.750 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.715 13.787 -4.162 1.00 0.00 N ATOM 0 H ARG A 37 15.662 17.375 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 37 17.200 16.693 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.139 16.804 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.076 15.506 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.287 14.292 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.563 15.397 -5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.915 14.479 -3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.383 13.097 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 37 20.599 12.515 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.378 15.944 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.130 16.162 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.849 12.803 -4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.523 14.392 -4.017 1.00 0.00 H new ATOM 643 N VAL A 38 15.209 14.372 -5.519 1.00 0.00 N ATOM 644 CA VAL A 38 14.457 13.167 -5.846 1.00 0.00 C ATOM 645 C VAL A 38 13.469 13.425 -6.978 1.00 0.00 C ATOM 646 O VAL A 38 13.061 12.502 -7.682 1.00 0.00 O ATOM 647 CB VAL A 38 13.689 12.635 -4.621 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.636 11.932 -3.661 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.952 13.768 -3.923 1.00 0.00 C ATOM 0 H VAL A 38 15.150 14.654 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 38 15.182 12.419 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 38 12.952 11.908 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.076 11.563 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.114 11.095 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.398 12.634 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.415 13.375 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.669 14.520 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.243 14.222 -4.616 1.00 0.00 H new ATOM 659 N ALA A 39 13.089 14.688 -7.148 1.00 0.00 N ATOM 660 CA ALA A 39 12.151 15.069 -8.196 1.00 0.00 C ATOM 661 C ALA A 39 12.650 14.625 -9.567 1.00 0.00 C ATOM 662 O ALA A 39 11.857 14.341 -10.465 1.00 0.00 O ATOM 663 CB ALA A 39 11.921 16.573 -8.177 1.00 0.00 C ATOM 0 H ALA A 39 13.417 15.464 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 39 11.204 14.565 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.218 16.844 -8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.512 16.866 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.867 17.088 -8.342 1.00 0.00 H new ATOM 669 N ASP A 40 13.969 14.570 -9.722 1.00 0.00 N ATOM 670 CA ASP A 40 14.573 14.160 -10.984 1.00 0.00 C ATOM 671 C ASP A 40 14.680 12.641 -11.069 1.00 0.00 C ATOM 672 O ASP A 40 14.898 12.084 -12.144 1.00 0.00 O ATOM 673 CB ASP A 40 15.959 14.790 -11.139 1.00 0.00 C ATOM 674 CG ASP A 40 16.429 14.809 -12.580 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.738 15.421 -13.422 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.488 14.213 -12.866 1.00 0.00 O ATOM 0 H ASP A 40 14.639 14.804 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 40 13.931 14.506 -11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.937 15.809 -10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.676 14.236 -10.533 1.00 0.00 H new ATOM 681 N GLN A 41 14.525 11.978 -9.927 1.00 0.00 N ATOM 682 CA GLN A 41 14.605 10.523 -9.873 1.00 0.00 C ATOM 683 C GLN A 41 13.319 9.887 -10.390 1.00 0.00 C ATOM 684 O GLN A 41 13.352 9.025 -11.269 1.00 0.00 O ATOM 685 CB GLN A 41 14.877 10.060 -8.440 1.00 0.00 C ATOM 686 CG GLN A 41 16.236 10.489 -7.910 1.00 0.00 C ATOM 687 CD GLN A 41 17.379 9.720 -8.542 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.558 8.529 -8.286 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.160 10.398 -9.374 1.00 0.00 N ATOM 0 H GLN A 41 14.344 12.425 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 41 15.428 10.205 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.100 10.455 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.807 8.973 -8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.374 11.554 -8.095 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.261 10.347 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.975 11.384 -9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.945 9.933 -9.830 1.00 0.00 H new ATOM 698 N ILE A 42 12.189 10.317 -9.839 1.00 0.00 N ATOM 699 CA ILE A 42 10.893 9.789 -10.246 1.00 0.00 C ATOM 700 C ILE A 42 10.278 10.637 -11.354 1.00 0.00 C ATOM 701 O ILE A 42 9.235 10.289 -11.909 1.00 0.00 O ATOM 702 CB ILE A 42 9.913 9.727 -9.059 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.310 11.108 -8.794 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.618 9.203 -7.817 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.222 11.101 -7.744 1.00 0.00 C ATOM 0 H ILE A 42 12.145 11.029 -9.110 1.00 0.00 H new ATOM 0 HA ILE A 42 11.066 8.779 -10.618 1.00 0.00 H new ATOM 0 HB ILE A 42 9.104 9.041 -9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.102 11.787 -8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.903 11.502 -9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.913 9.165 -6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.003 8.202 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.444 9.866 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.841 12.113 -7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.411 10.448 -8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.629 10.737 -6.801 1.00 0.00 H new ATOM 717 N ARG A 43 10.931 11.749 -11.673 1.00 0.00 N ATOM 718 CA ARG A 43 10.449 12.646 -12.716 1.00 0.00 C ATOM 719 C ARG A 43 9.163 13.344 -12.281 1.00 0.00 C ATOM 720 O ARG A 43 8.104 13.144 -12.878 1.00 0.00 O ATOM 721 CB ARG A 43 10.208 11.872 -14.013 1.00 0.00 C ATOM 722 CG ARG A 43 10.419 12.705 -15.267 1.00 0.00 C ATOM 723 CD ARG A 43 9.494 13.912 -15.296 1.00 0.00 C ATOM 724 NE ARG A 43 9.687 14.721 -16.496 1.00 0.00 N ATOM 725 CZ ARG A 43 10.745 15.501 -16.694 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.699 15.575 -15.777 1.00 0.00 N ATOM 727 NH2 ARG A 43 10.849 16.207 -17.813 1.00 0.00 N ATOM 0 H ARG A 43 11.796 12.051 -11.224 1.00 0.00 H new ATOM 0 HA ARG A 43 11.213 13.404 -12.890 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.876 11.011 -14.042 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.189 11.485 -14.011 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.456 13.038 -15.313 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.243 12.089 -16.149 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.458 13.576 -15.248 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.671 14.526 -14.413 1.00 0.00 H new ATOM 0 HE ARG A 43 8.971 14.686 -17.222 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.623 15.033 -14.917 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.510 16.174 -15.932 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.117 16.151 -18.521 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.661 16.806 -17.965 1.00 0.00 H new ATOM 741 N LEU A 44 9.262 14.161 -11.239 1.00 0.00 N ATOM 742 CA LEU A 44 8.107 14.888 -10.724 1.00 0.00 C ATOM 743 C LEU A 44 8.518 16.258 -10.193 1.00 0.00 C ATOM 744 O LEU A 44 9.700 16.516 -9.965 1.00 0.00 O ATOM 745 CB LEU A 44 7.425 14.083 -9.616 1.00 0.00 C ATOM 746 CG LEU A 44 6.079 14.619 -9.128 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.113 14.774 -10.292 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.494 13.702 -8.064 1.00 0.00 C ATOM 0 H LEU A 44 10.130 14.337 -10.734 1.00 0.00 H new ATOM 0 HA LEU A 44 7.405 15.033 -11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.280 13.063 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.103 14.029 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 44 6.240 15.601 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.160 15.157 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.529 15.471 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.957 13.805 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.536 14.099 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.347 12.706 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.179 13.643 -7.218 1.00 0.00 H new ATOM 760 N GLN A 45 7.535 17.130 -9.997 1.00 0.00 N ATOM 761 CA GLN A 45 7.795 18.473 -9.492 1.00 0.00 C ATOM 762 C GLN A 45 8.521 18.419 -8.152 1.00 0.00 C ATOM 763 O GLN A 45 8.342 17.481 -7.376 1.00 0.00 O ATOM 764 CB GLN A 45 6.485 19.248 -9.344 1.00 0.00 C ATOM 765 CG GLN A 45 6.370 20.434 -10.289 1.00 0.00 C ATOM 766 CD GLN A 45 7.535 21.395 -10.163 1.00 0.00 C ATOM 767 OE1 GLN A 45 8.544 21.260 -10.857 1.00 0.00 O ATOM 768 NE2 GLN A 45 7.403 22.374 -9.276 1.00 0.00 N ATOM 0 H GLN A 45 6.551 16.931 -10.180 1.00 0.00 H new ATOM 0 HA GLN A 45 8.433 18.987 -10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.650 18.571 -9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.396 19.602 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.312 20.072 -11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.441 20.967 -10.086 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.550 22.449 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.155 23.052 -9.149 1.00 0.00 H new ATOM 777 N GLU A 46 9.341 19.431 -7.887 1.00 0.00 N ATOM 778 CA GLU A 46 10.095 19.497 -6.641 1.00 0.00 C ATOM 779 C GLU A 46 9.160 19.668 -5.447 1.00 0.00 C ATOM 780 O GLU A 46 9.294 18.979 -4.436 1.00 0.00 O ATOM 781 CB GLU A 46 11.098 20.652 -6.686 1.00 0.00 C ATOM 782 CG GLU A 46 10.465 21.995 -7.008 1.00 0.00 C ATOM 783 CD GLU A 46 11.374 22.885 -7.835 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.483 22.650 -9.056 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.975 23.816 -7.259 1.00 0.00 O ATOM 0 H GLU A 46 9.500 20.216 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 46 10.637 18.558 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.605 20.720 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.861 20.431 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.532 21.833 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.211 22.505 -6.079 1.00 0.00 H new ATOM 792 N SER A 47 8.212 20.592 -5.573 1.00 0.00 N ATOM 793 CA SER A 47 7.257 20.857 -4.504 1.00 0.00 C ATOM 794 C SER A 47 6.155 19.802 -4.486 1.00 0.00 C ATOM 795 O SER A 47 5.486 19.604 -3.471 1.00 0.00 O ATOM 796 CB SER A 47 6.643 22.248 -4.673 1.00 0.00 C ATOM 797 OG SER A 47 5.913 22.340 -5.884 1.00 0.00 O ATOM 0 H SER A 47 8.085 21.169 -6.405 1.00 0.00 H new ATOM 0 HA SER A 47 7.791 20.816 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.985 22.463 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.431 23.001 -4.662 1.00 0.00 H new ATOM 0 HG SER A 47 5.529 23.238 -5.967 1.00 0.00 H new ATOM 803 N ARG A 48 5.972 19.127 -5.616 1.00 0.00 N ATOM 804 CA ARG A 48 4.951 18.093 -5.732 1.00 0.00 C ATOM 805 C ARG A 48 5.423 16.789 -5.094 1.00 0.00 C ATOM 806 O ARG A 48 4.675 16.137 -4.365 1.00 0.00 O ATOM 807 CB ARG A 48 4.600 17.856 -7.202 1.00 0.00 C ATOM 808 CG ARG A 48 3.482 16.846 -7.405 1.00 0.00 C ATOM 809 CD ARG A 48 2.205 17.279 -6.702 1.00 0.00 C ATOM 810 NE ARG A 48 1.033 17.146 -7.564 1.00 0.00 N ATOM 811 CZ ARG A 48 0.747 17.987 -8.551 1.00 0.00 C ATOM 812 NH1 ARG A 48 1.544 19.017 -8.801 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.337 17.798 -9.292 1.00 0.00 N ATOM 0 H ARG A 48 6.518 19.278 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 48 4.061 18.435 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.309 18.804 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.490 17.511 -7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.289 16.725 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.796 15.873 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.064 16.678 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.302 18.316 -6.380 1.00 0.00 H new ATOM 0 HE ARG A 48 0.399 16.364 -7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.379 19.165 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.322 19.661 -9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.952 17.006 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.556 18.445 -10.050 1.00 0.00 H new ATOM 827 N ILE A 49 6.667 16.416 -5.374 1.00 0.00 N ATOM 828 CA ILE A 49 7.238 15.191 -4.828 1.00 0.00 C ATOM 829 C ILE A 49 7.161 15.180 -3.305 1.00 0.00 C ATOM 830 O ILE A 49 7.200 14.121 -2.680 1.00 0.00 O ATOM 831 CB ILE A 49 8.706 15.014 -5.258 1.00 0.00 C ATOM 832 CG1 ILE A 49 9.029 13.530 -5.448 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.638 15.637 -4.229 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.428 13.278 -5.966 1.00 0.00 C ATOM 0 H ILE A 49 7.299 16.944 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 49 6.649 14.364 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 49 8.855 15.524 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.904 13.014 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.309 13.096 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.672 15.504 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.420 16.701 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.490 15.153 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.587 12.205 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.551 13.765 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.155 13.682 -5.262 1.00 0.00 H new ATOM 846 N GLN A 50 7.050 16.366 -2.715 1.00 0.00 N ATOM 847 CA GLN A 50 6.966 16.493 -1.265 1.00 0.00 C ATOM 848 C GLN A 50 5.788 15.695 -0.716 1.00 0.00 C ATOM 849 O GLN A 50 5.908 15.011 0.301 1.00 0.00 O ATOM 850 CB GLN A 50 6.831 17.964 -0.867 1.00 0.00 C ATOM 851 CG GLN A 50 7.884 18.424 0.129 1.00 0.00 C ATOM 852 CD GLN A 50 7.797 19.908 0.426 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.788 20.320 1.586 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.732 20.719 -0.623 1.00 0.00 N ATOM 0 H GLN A 50 7.016 17.252 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 50 7.884 16.091 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.896 18.582 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.842 18.127 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.770 17.864 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.875 18.193 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.742 20.333 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.672 21.728 -0.485 1.00 0.00 H new ATOM 863 N VAL A 51 4.649 15.788 -1.395 1.00 0.00 N ATOM 864 CA VAL A 51 3.449 15.075 -0.976 1.00 0.00 C ATOM 865 C VAL A 51 3.642 13.566 -1.078 1.00 0.00 C ATOM 866 O VAL A 51 3.058 12.802 -0.310 1.00 0.00 O ATOM 867 CB VAL A 51 2.229 15.483 -1.823 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.164 16.995 -1.973 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.275 14.806 -3.184 1.00 0.00 C ATOM 0 H VAL A 51 4.533 16.350 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 51 3.267 15.346 0.064 1.00 0.00 H new ATOM 0 HB VAL A 51 1.326 15.154 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.296 17.264 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.080 17.455 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.070 17.351 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.405 15.106 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.184 15.102 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.268 13.724 -3.053 1.00 0.00 H new ATOM 879 N TRP A 52 4.467 13.144 -2.030 1.00 0.00 N ATOM 880 CA TRP A 52 4.738 11.725 -2.232 1.00 0.00 C ATOM 881 C TRP A 52 5.825 11.238 -1.281 1.00 0.00 C ATOM 882 O TRP A 52 5.979 10.036 -1.063 1.00 0.00 O ATOM 883 CB TRP A 52 5.157 11.467 -3.681 1.00 0.00 C ATOM 884 CG TRP A 52 4.030 10.999 -4.551 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.569 9.720 -4.678 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.223 11.806 -5.415 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.524 9.683 -5.570 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.292 10.950 -6.036 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.195 13.169 -5.724 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.346 11.414 -6.946 1.00 0.00 C ATOM 891 CZ3 TRP A 52 2.256 13.628 -6.628 1.00 0.00 C ATOM 892 CH2 TRP A 52 1.341 12.753 -7.230 1.00 0.00 C ATOM 0 H TRP A 52 4.959 13.764 -2.674 1.00 0.00 H new ATOM 0 HA TRP A 52 3.823 11.171 -2.021 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.573 12.383 -4.100 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.951 10.720 -3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.967 8.863 -4.154 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.005 8.848 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.895 13.851 -5.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.641 10.741 -7.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.227 14.679 -6.875 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.618 13.143 -7.931 1.00 0.00 H new ATOM 903 N PHE A 53 6.576 12.178 -0.717 1.00 0.00 N ATOM 904 CA PHE A 53 7.650 11.843 0.211 1.00 0.00 C ATOM 905 C PHE A 53 7.113 11.059 1.405 1.00 0.00 C ATOM 906 O PHE A 53 7.870 10.417 2.133 1.00 0.00 O ATOM 907 CB PHE A 53 8.350 13.115 0.696 1.00 0.00 C ATOM 908 CG PHE A 53 9.435 12.856 1.701 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.561 12.127 1.352 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.331 13.343 2.994 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.561 11.888 2.275 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.328 13.106 3.921 1.00 0.00 C ATOM 913 CZ PHE A 53 11.445 12.379 3.561 1.00 0.00 C ATOM 0 H PHE A 53 6.461 13.177 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 53 8.370 11.219 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.777 13.635 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.609 13.782 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.658 11.742 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.461 13.914 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.433 11.318 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.233 13.489 4.926 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.227 12.195 4.283 1.00 0.00 H new ATOM 923 N LYS A 54 5.800 11.116 1.600 1.00 0.00 N ATOM 924 CA LYS A 54 5.158 10.412 2.703 1.00 0.00 C ATOM 925 C LYS A 54 4.859 8.964 2.325 1.00 0.00 C ATOM 926 O LYS A 54 4.603 8.127 3.189 1.00 0.00 O ATOM 927 CB LYS A 54 3.864 11.122 3.105 1.00 0.00 C ATOM 928 CG LYS A 54 3.662 11.214 4.608 1.00 0.00 C ATOM 929 CD LYS A 54 2.244 10.837 5.004 1.00 0.00 C ATOM 930 CE LYS A 54 1.365 12.067 5.168 1.00 0.00 C ATOM 931 NZ LYS A 54 0.103 11.755 5.894 1.00 0.00 N ATOM 0 H LYS A 54 5.159 11.643 1.007 1.00 0.00 H new ATOM 0 HA LYS A 54 5.844 10.414 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.866 12.128 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.018 10.594 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.369 10.555 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.877 12.229 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.816 10.181 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.263 10.275 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.915 12.836 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.127 12.477 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.468 12.619 5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.434 11.039 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.329 11.388 6.841 1.00 0.00 H new ATOM 945 N ASN A 55 4.895 8.677 1.028 1.00 0.00 N ATOM 946 CA ASN A 55 4.629 7.330 0.536 1.00 0.00 C ATOM 947 C ASN A 55 5.252 6.283 1.454 1.00 0.00 C ATOM 948 O ASN A 55 4.546 5.573 2.170 1.00 0.00 O ATOM 949 CB ASN A 55 5.173 7.167 -0.885 1.00 0.00 C ATOM 950 CG ASN A 55 5.202 5.718 -1.331 1.00 0.00 C ATOM 951 OD1 ASN A 55 4.444 4.888 -0.828 1.00 0.00 O ATOM 952 ND2 ASN A 55 6.079 5.408 -2.278 1.00 0.00 N ATOM 0 H ASN A 55 5.106 9.359 0.299 1.00 0.00 H new ATOM 0 HA ASN A 55 3.549 7.181 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.558 7.744 -1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.181 7.580 -0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.145 4.449 -2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.687 6.129 -2.666 1.00 0.00 H new ATOM 959 N ARG A 56 6.577 6.193 1.427 1.00 0.00 N ATOM 960 CA ARG A 56 7.295 5.232 2.255 1.00 0.00 C ATOM 961 C ARG A 56 7.584 5.814 3.636 1.00 0.00 C ATOM 962 O ARG A 56 7.488 5.117 4.647 1.00 0.00 O ATOM 963 CB ARG A 56 8.605 4.821 1.580 1.00 0.00 C ATOM 964 CG ARG A 56 9.091 3.439 1.983 1.00 0.00 C ATOM 965 CD ARG A 56 10.512 3.483 2.522 1.00 0.00 C ATOM 966 NE ARG A 56 10.547 3.392 3.979 1.00 0.00 N ATOM 967 CZ ARG A 56 11.615 3.000 4.665 1.00 0.00 C ATOM 968 NH1 ARG A 56 12.730 2.667 4.030 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.570 2.943 5.990 1.00 0.00 N ATOM 0 H ARG A 56 7.176 6.774 0.840 1.00 0.00 H new ATOM 0 HA ARG A 56 6.664 4.351 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.471 4.848 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.375 5.553 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.426 3.025 2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.048 2.772 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.088 2.663 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.992 4.409 2.205 1.00 0.00 H new ATOM 0 HE ARG A 56 9.706 3.643 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.770 2.711 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.548 2.366 4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.715 3.200 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.391 2.642 6.516 1.00 0.00 H new ATOM 983 N ARG A 57 7.937 7.094 3.671 1.00 0.00 N ATOM 984 CA ARG A 57 8.241 7.769 4.927 1.00 0.00 C ATOM 985 C ARG A 57 7.142 7.523 5.956 1.00 0.00 C ATOM 986 O ARG A 57 7.399 7.494 7.159 1.00 0.00 O ATOM 987 CB ARG A 57 8.411 9.271 4.696 1.00 0.00 C ATOM 988 CG ARG A 57 8.650 10.061 5.972 1.00 0.00 C ATOM 989 CD ARG A 57 9.912 9.601 6.685 1.00 0.00 C ATOM 990 NE ARG A 57 10.478 10.650 7.528 1.00 0.00 N ATOM 991 CZ ARG A 57 9.960 11.015 8.695 1.00 0.00 C ATOM 992 NH1 ARG A 57 8.870 10.417 9.156 1.00 0.00 N ATOM 993 NH2 ARG A 57 10.533 11.978 9.405 1.00 0.00 N ATOM 0 H ARG A 57 8.020 7.685 2.844 1.00 0.00 H new ATOM 0 HA ARG A 57 9.175 7.360 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.248 9.433 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.520 9.657 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.731 11.122 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.794 9.948 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.685 8.728 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.652 9.290 5.948 1.00 0.00 H new ATOM 0 HE ARG A 57 11.318 11.129 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.428 9.675 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.474 10.699 10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.373 12.439 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.134 12.257 10.301 1.00 0.00 H new ATOM 1007 N ALA A 58 5.916 7.347 5.474 1.00 0.00 N ATOM 1008 CA ALA A 58 4.778 7.103 6.352 1.00 0.00 C ATOM 1009 C ALA A 58 4.608 5.613 6.629 1.00 0.00 C ATOM 1010 O ALA A 58 4.176 5.217 7.711 1.00 0.00 O ATOM 1011 CB ALA A 58 3.508 7.676 5.741 1.00 0.00 C ATOM 0 H ALA A 58 5.685 7.369 4.481 1.00 0.00 H new ATOM 0 HA ALA A 58 4.969 7.603 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.666 7.487 6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.625 8.751 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.322 7.202 4.777 1.00 0.00 H new ATOM 1017 N LYS A 59 4.952 4.790 5.644 1.00 0.00 N ATOM 1018 CA LYS A 59 4.839 3.343 5.780 1.00 0.00 C ATOM 1019 C LYS A 59 5.662 2.842 6.963 1.00 0.00 C ATOM 1020 O LYS A 59 5.411 1.760 7.493 1.00 0.00 O ATOM 1021 CB LYS A 59 5.299 2.651 4.495 1.00 0.00 C ATOM 1022 CG LYS A 59 4.162 2.045 3.690 1.00 0.00 C ATOM 1023 CD LYS A 59 3.079 3.069 3.396 1.00 0.00 C ATOM 1024 CE LYS A 59 2.562 2.940 1.971 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.551 1.854 1.845 1.00 0.00 N ATOM 0 H LYS A 59 5.312 5.101 4.742 1.00 0.00 H new ATOM 0 HA LYS A 59 3.792 3.101 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.829 3.373 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.011 1.866 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.551 1.646 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.732 1.207 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.254 2.939 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.474 4.073 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.120 3.886 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.396 2.740 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.887 1.144 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.407 1.404 2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.651 2.255 1.512 1.00 0.00 H new ATOM 1039 N TYR A 60 6.645 3.636 7.371 1.00 0.00 N ATOM 1040 CA TYR A 60 7.506 3.273 8.491 1.00 0.00 C ATOM 1041 C TYR A 60 6.678 2.846 9.699 1.00 0.00 C ATOM 1042 O TYR A 60 7.117 2.030 10.509 1.00 0.00 O ATOM 1043 CB TYR A 60 8.411 4.447 8.868 1.00 0.00 C ATOM 1044 CG TYR A 60 7.808 5.367 9.906 1.00 0.00 C ATOM 1045 CD1 TYR A 60 6.707 6.159 9.604 1.00 0.00 C ATOM 1046 CD2 TYR A 60 8.340 5.445 11.187 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.153 7.001 10.549 1.00 0.00 C ATOM 1048 CE2 TYR A 60 7.792 6.283 12.138 1.00 0.00 C ATOM 1049 CZ TYR A 60 6.699 7.059 11.814 1.00 0.00 C ATOM 1050 OH TYR A 60 6.151 7.897 12.759 1.00 0.00 O ATOM 0 H TYR A 60 6.866 4.535 6.943 1.00 0.00 H new ATOM 0 HA TYR A 60 8.125 2.431 8.182 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.358 4.059 9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.637 5.023 7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.277 6.116 8.614 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.197 4.840 11.443 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.297 7.610 10.298 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.217 6.330 13.130 1.00 0.00 H new ATOM 0 HH TYR A 60 6.653 7.818 13.597 1.00 0.00 H new ATOM 1060 N ARG A 61 5.477 3.403 9.811 1.00 0.00 N ATOM 1061 CA ARG A 61 4.586 3.081 10.920 1.00 0.00 C ATOM 1062 C ARG A 61 3.914 1.729 10.702 1.00 0.00 C ATOM 1063 O ARG A 61 3.755 0.945 11.639 1.00 0.00 O ATOM 1064 CB ARG A 61 3.524 4.171 11.081 1.00 0.00 C ATOM 1065 CG ARG A 61 3.171 4.467 12.529 1.00 0.00 C ATOM 1066 CD ARG A 61 2.073 3.544 13.035 1.00 0.00 C ATOM 1067 NE ARG A 61 1.681 3.859 14.406 1.00 0.00 N ATOM 1068 CZ ARG A 61 0.866 3.101 15.130 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.358 1.989 14.616 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.556 3.454 16.371 1.00 0.00 N ATOM 0 H ARG A 61 5.098 4.079 9.148 1.00 0.00 H new ATOM 0 HA ARG A 61 5.183 3.028 11.830 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.880 5.086 10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.621 3.868 10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.059 4.354 13.151 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.847 5.504 12.621 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.204 3.623 12.382 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.416 2.511 12.985 1.00 0.00 H new ATOM 0 HE ARG A 61 2.054 4.708 14.831 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.593 1.714 13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.268 1.409 15.174 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.944 4.309 16.770 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.070 2.871 16.926 1.00 0.00 H new ATOM 1084 N LEU A 62 3.521 1.462 9.462 1.00 0.00 N ATOM 1085 CA LEU A 62 2.865 0.205 9.120 1.00 0.00 C ATOM 1086 C LEU A 62 3.830 -0.968 9.259 1.00 0.00 C ATOM 1087 O LEU A 62 3.435 -2.067 9.645 1.00 0.00 O ATOM 1088 CB LEU A 62 2.317 0.263 7.694 1.00 0.00 C ATOM 1089 CG LEU A 62 1.058 -0.563 7.424 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.336 -2.043 7.634 1.00 0.00 C ATOM 1091 CD2 LEU A 62 -0.085 -0.100 8.316 1.00 0.00 C ATOM 0 H LEU A 62 3.645 2.100 8.676 1.00 0.00 H new ATOM 0 HA LEU A 62 2.038 0.056 9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.104 1.304 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.099 -0.070 7.012 1.00 0.00 H new ATOM 0 HG LEU A 62 0.764 -0.414 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.429 -2.615 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.123 -2.366 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.655 -2.211 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.972 -0.699 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.198 -0.219 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.301 0.949 8.116 1.00 0.00 H new ATOM 1103 N GLN A 63 5.098 -0.725 8.943 1.00 0.00 N ATOM 1104 CA GLN A 63 6.120 -1.761 9.033 1.00 0.00 C ATOM 1105 C GLN A 63 6.595 -1.933 10.472 1.00 0.00 C ATOM 1106 O GLN A 63 7.082 -2.997 10.852 1.00 0.00 O ATOM 1107 CB GLN A 63 7.306 -1.417 8.130 1.00 0.00 C ATOM 1108 CG GLN A 63 8.172 -0.289 8.666 1.00 0.00 C ATOM 1109 CD GLN A 63 9.355 0.016 7.769 1.00 0.00 C ATOM 1110 OE1 GLN A 63 10.484 -0.386 8.052 1.00 0.00 O ATOM 1111 NE2 GLN A 63 9.103 0.730 6.678 1.00 0.00 N ATOM 0 H GLN A 63 5.442 0.180 8.622 1.00 0.00 H new ATOM 0 HA GLN A 63 5.679 -2.701 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.922 -2.306 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.933 -1.140 7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.564 0.609 8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.533 -0.554 9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.152 1.043 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.860 0.965 6.036 1.00 0.00 H new ATOM 1120 N GLU A 64 6.449 -0.878 11.269 1.00 0.00 N ATOM 1121 CA GLU A 64 6.865 -0.914 12.666 1.00 0.00 C ATOM 1122 C GLU A 64 6.244 -2.106 13.388 1.00 0.00 C ATOM 1123 O GLU A 64 6.952 -2.975 13.898 1.00 0.00 O ATOM 1124 CB GLU A 64 6.470 0.386 13.371 1.00 0.00 C ATOM 1125 CG GLU A 64 7.243 0.640 14.655 1.00 0.00 C ATOM 1126 CD GLU A 64 6.806 -0.267 15.788 1.00 0.00 C ATOM 1127 OE1 GLU A 64 5.589 -0.512 15.918 1.00 0.00 O ATOM 1128 OE2 GLU A 64 7.683 -0.733 16.546 1.00 0.00 O ATOM 0 H GLU A 64 6.046 0.011 10.971 1.00 0.00 H new ATOM 0 HA GLU A 64 7.950 -1.020 12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.629 1.222 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.404 0.357 13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.307 0.495 14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.110 1.679 14.955 1.00 0.00 H new ATOM 1135 N LYS A 65 4.916 -2.141 13.427 1.00 0.00 N ATOM 1136 CA LYS A 65 4.198 -3.225 14.085 1.00 0.00 C ATOM 1137 C LYS A 65 4.346 -4.528 13.305 1.00 0.00 C ATOM 1138 O LYS A 65 4.335 -5.613 13.885 1.00 0.00 O ATOM 1139 CB LYS A 65 2.716 -2.870 14.229 1.00 0.00 C ATOM 1140 CG LYS A 65 1.955 -2.894 12.915 1.00 0.00 C ATOM 1141 CD LYS A 65 1.229 -4.214 12.716 1.00 0.00 C ATOM 1142 CE LYS A 65 -0.085 -4.249 13.481 1.00 0.00 C ATOM 1143 NZ LYS A 65 -1.120 -3.388 12.845 1.00 0.00 N ATOM 0 H LYS A 65 4.315 -1.430 13.010 1.00 0.00 H new ATOM 0 HA LYS A 65 4.630 -3.364 15.076 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.249 -3.569 14.923 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.630 -1.877 14.671 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.236 -2.075 12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.647 -2.730 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.037 -4.368 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.866 -5.034 13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.448 -5.275 13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.083 -3.918 14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.053 -3.615 13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.900 -2.388 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.131 -3.558 11.819 1.00 0.00 H new ATOM 1157 N GLN A 66 4.484 -4.411 11.988 1.00 0.00 N ATOM 1158 CA GLN A 66 4.635 -5.580 11.130 1.00 0.00 C ATOM 1159 C GLN A 66 5.812 -6.439 11.582 1.00 0.00 C ATOM 1160 O GLN A 66 5.638 -7.595 11.967 1.00 0.00 O ATOM 1161 CB GLN A 66 4.831 -5.150 9.676 1.00 0.00 C ATOM 1162 CG GLN A 66 4.038 -5.983 8.682 1.00 0.00 C ATOM 1163 CD GLN A 66 4.835 -7.151 8.133 1.00 0.00 C ATOM 1164 OE1 GLN A 66 5.990 -6.997 7.736 1.00 0.00 O ATOM 1165 NE2 GLN A 66 4.220 -8.328 8.109 1.00 0.00 N ATOM 0 H GLN A 66 4.494 -3.519 11.493 1.00 0.00 H new ATOM 0 HA GLN A 66 3.725 -6.175 11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.542 -4.104 9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.890 -5.214 9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.136 -6.359 9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.716 -5.348 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.262 -8.410 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.706 -9.150 7.751 1.00 0.00 H new ATOM 1174 N LYS A 67 7.009 -5.866 11.531 1.00 0.00 N ATOM 1175 CA LYS A 67 8.216 -6.578 11.935 1.00 0.00 C ATOM 1176 C LYS A 67 8.051 -7.182 13.326 1.00 0.00 C ATOM 1177 O LYS A 67 7.231 -6.738 14.129 1.00 0.00 O ATOM 1178 CB LYS A 67 9.420 -5.634 11.917 1.00 0.00 C ATOM 1179 CG LYS A 67 9.934 -5.330 10.520 1.00 0.00 C ATOM 1180 CD LYS A 67 10.730 -6.494 9.954 1.00 0.00 C ATOM 1181 CE LYS A 67 12.218 -6.337 10.228 1.00 0.00 C ATOM 1182 NZ LYS A 67 12.629 -7.041 11.474 1.00 0.00 N ATOM 0 H LYS A 67 7.170 -4.910 11.214 1.00 0.00 H new ATOM 0 HA LYS A 67 8.386 -7.387 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.145 -4.699 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.226 -6.075 12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.094 -5.109 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.561 -4.439 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.375 -7.427 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.562 -6.563 8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.786 -6.730 9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.462 -5.278 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.665 -7.012 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.197 -6.573 12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.313 -8.031 11.434 1.00 0.00 H new ATOM 1196 N PRO A 68 8.850 -8.219 13.620 1.00 0.00 N ATOM 1197 CA PRO A 68 8.812 -8.904 14.916 1.00 0.00 C ATOM 1198 C PRO A 68 9.357 -8.038 16.046 1.00 0.00 C ATOM 1199 O PRO A 68 8.635 -7.698 16.984 1.00 0.00 O ATOM 1200 CB PRO A 68 9.710 -10.125 14.697 1.00 0.00 C ATOM 1201 CG PRO A 68 10.638 -9.721 13.604 1.00 0.00 C ATOM 1202 CD PRO A 68 9.852 -8.801 12.712 1.00 0.00 C ATOM 0 HA PRO A 68 7.794 -9.154 15.216 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.256 -10.383 15.605 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.125 -11.001 14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.518 -9.218 14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.993 -10.591 13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.486 -8.033 12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.383 -9.342 11.890 1.00 0.00 H new TER 1210 PRO A 68