USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 497 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 116 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.5) USER MOD Set 1.2: A 118 GLN : amide:sc= 0 K(o=-0.14,f=-1.2) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 1:sc= 0.0054 USER MOD Single : A 73 ASN : amide:sc= 0.0025 K(o=0.0025,f=-1.4) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.00607 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : A 79 ASN : amide:sc= -0.52 K(o=-0.52,f=-4.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= 0.395 (180deg=0.0527) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc=-0.00544 (180deg=-0.0673) USER MOD Single : A 96 MET CE :methyl -153:sc= -0.402 (180deg=-2.53!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 106 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 109 ASN : amide:sc= -0.897 K(o=-0.9,f=-0.034) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -143:sc= -2.37 (180deg=-3.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -2.228 -9.811 -0.826 1.00 0.00 N ATOM 2 CA TRP A 59 -2.731 -8.656 -1.561 1.00 0.00 C ATOM 3 C TRP A 59 -4.118 -8.951 -1.986 1.00 0.00 C ATOM 4 O TRP A 59 -4.372 -9.337 -3.121 1.00 0.00 O ATOM 5 CB TRP A 59 -1.755 -8.298 -2.721 1.00 0.00 C ATOM 6 CG TRP A 59 -2.307 -7.751 -4.038 1.00 0.00 C ATOM 7 CD1 TRP A 59 -2.623 -6.471 -4.396 1.00 0.00 C ATOM 8 CD2 TRP A 59 -2.606 -8.568 -5.191 1.00 0.00 C ATOM 9 NE1 TRP A 59 -3.059 -6.436 -5.694 1.00 0.00 N ATOM 10 CE2 TRP A 59 -3.075 -7.717 -6.189 1.00 0.00 C ATOM 11 CE3 TRP A 59 -2.527 -9.918 -5.390 1.00 0.00 C ATOM 12 CZ2 TRP A 59 -3.461 -8.199 -7.407 1.00 0.00 C ATOM 13 CZ3 TRP A 59 -2.945 -10.409 -6.610 1.00 0.00 C ATOM 14 CH2 TRP A 59 -3.399 -9.563 -7.605 1.00 0.00 C ATOM 0 HA TRP A 59 -2.772 -7.761 -0.940 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.047 -7.564 -2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.186 -9.197 -2.956 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.541 -5.610 -3.749 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.328 -5.597 -6.208 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.151 -10.576 -4.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.803 -7.536 -8.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.917 -11.473 -6.791 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -3.710 -9.977 -8.553 1.00 0.00 H new ATOM 27 N ILE A 60 -5.078 -8.782 -1.055 1.00 0.00 N ATOM 28 CA ILE A 60 -6.414 -8.549 -1.509 1.00 0.00 C ATOM 29 C ILE A 60 -7.268 -7.899 -0.465 1.00 0.00 C ATOM 30 O ILE A 60 -7.560 -6.712 -0.572 1.00 0.00 O ATOM 31 CB ILE A 60 -7.247 -9.674 -2.146 1.00 0.00 C ATOM 32 CG1 ILE A 60 -6.702 -11.112 -1.958 1.00 0.00 C ATOM 33 CG2 ILE A 60 -7.479 -9.317 -3.631 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.581 -11.521 -0.495 1.00 0.00 C ATOM 0 H ILE A 60 -4.942 -8.804 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.165 -7.904 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.192 -9.718 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.360 -11.813 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.723 -11.188 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.069 -10.101 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.014 -8.370 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.518 -9.228 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.194 -12.538 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.900 -10.841 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.562 -11.477 -0.022 1.00 0.00 H new ATOM 46 N ALA A 61 -7.720 -8.674 0.545 1.00 0.00 N ATOM 47 CA ALA A 61 -8.688 -8.239 1.508 1.00 0.00 C ATOM 48 C ALA A 61 -7.921 -7.782 2.690 1.00 0.00 C ATOM 49 O ALA A 61 -8.396 -6.966 3.477 1.00 0.00 O ATOM 50 CB ALA A 61 -9.606 -9.376 1.975 1.00 0.00 C ATOM 0 H ALA A 61 -7.401 -9.631 0.694 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.312 -7.467 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.320 -8.991 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.145 -9.783 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.007 -10.162 2.434 1.00 0.00 H new ATOM 56 N ARG A 62 -6.684 -8.301 2.805 1.00 0.00 N ATOM 57 CA ARG A 62 -5.737 -7.871 3.789 1.00 0.00 C ATOM 58 C ARG A 62 -5.225 -6.535 3.354 1.00 0.00 C ATOM 59 O ARG A 62 -4.813 -5.717 4.175 1.00 0.00 O ATOM 60 CB ARG A 62 -4.536 -8.838 3.910 1.00 0.00 C ATOM 61 CG ARG A 62 -4.057 -9.453 2.581 1.00 0.00 C ATOM 62 CD ARG A 62 -2.723 -10.198 2.714 1.00 0.00 C ATOM 63 NE ARG A 62 -2.908 -11.394 3.579 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.884 -12.283 3.744 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.683 -12.075 3.130 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.066 -13.389 4.524 1.00 0.00 N ATOM 0 H ARG A 62 -6.333 -9.040 2.197 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.231 -7.836 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.703 -8.303 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.807 -9.646 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.816 -10.142 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.953 -8.663 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.363 -10.499 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.967 -9.539 3.142 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.800 -11.550 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.546 -11.252 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.077 -12.743 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.964 -13.549 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.304 -14.055 4.650 1.00 0.00 H new ATOM 80 N ILE A 63 -5.250 -6.299 2.028 1.00 0.00 N ATOM 81 CA ILE A 63 -4.687 -5.135 1.429 1.00 0.00 C ATOM 82 C ILE A 63 -5.736 -4.088 1.288 1.00 0.00 C ATOM 83 O ILE A 63 -5.429 -2.910 1.132 1.00 0.00 O ATOM 84 CB ILE A 63 -4.017 -5.530 0.139 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.531 -5.213 0.299 1.00 0.00 C ATOM 86 CG2 ILE A 63 -4.600 -4.973 -1.173 1.00 0.00 C ATOM 87 CD1 ILE A 63 -1.807 -5.222 -1.034 1.00 0.00 C ATOM 0 H ILE A 63 -5.675 -6.939 1.357 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.914 -4.691 2.056 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.208 -6.594 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.416 -4.236 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.073 -5.943 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.016 -5.342 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.635 -5.298 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.562 -3.884 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.753 -4.992 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.899 -6.207 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.248 -4.473 -1.692 1.00 0.00 H new ATOM 99 N ASN A 64 -7.011 -4.506 1.391 1.00 0.00 N ATOM 100 CA ASN A 64 -8.114 -3.595 1.381 1.00 0.00 C ATOM 101 C ASN A 64 -8.341 -3.153 2.786 1.00 0.00 C ATOM 102 O ASN A 64 -8.999 -2.144 3.031 1.00 0.00 O ATOM 103 CB ASN A 64 -9.419 -4.253 0.930 1.00 0.00 C ATOM 104 CG ASN A 64 -9.840 -3.610 -0.388 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.700 -4.210 -1.461 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.366 -2.350 -0.291 1.00 0.00 N ATOM 0 H ASN A 64 -7.279 -5.486 1.482 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.868 -2.786 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.280 -5.327 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.194 -4.119 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.666 -1.857 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.457 -1.904 0.622 1.00 0.00 H new ATOM 113 N ALA A 65 -7.788 -3.922 3.741 1.00 0.00 N ATOM 114 CA ALA A 65 -8.002 -3.674 5.138 1.00 0.00 C ATOM 115 C ALA A 65 -6.983 -2.695 5.608 1.00 0.00 C ATOM 116 O ALA A 65 -7.168 -2.041 6.633 1.00 0.00 O ATOM 117 CB ALA A 65 -7.832 -4.926 6.012 1.00 0.00 C ATOM 0 H ALA A 65 -7.187 -4.723 3.546 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.027 -3.315 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.008 -4.667 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.548 -5.687 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.819 -5.313 5.900 1.00 0.00 H new ATOM 123 N ALA A 66 -5.875 -2.580 4.858 1.00 0.00 N ATOM 124 CA ALA A 66 -4.807 -1.712 5.244 1.00 0.00 C ATOM 125 C ALA A 66 -5.133 -0.319 4.814 1.00 0.00 C ATOM 126 O ALA A 66 -4.739 0.648 5.466 1.00 0.00 O ATOM 127 CB ALA A 66 -3.488 -2.097 4.563 1.00 0.00 C ATOM 0 H ALA A 66 -5.718 -3.086 3.986 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.693 -1.792 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.701 -1.414 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.219 -3.116 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.606 -2.035 3.481 1.00 0.00 H new ATOM 133 N VAL A 67 -5.847 -0.196 3.677 1.00 0.00 N ATOM 134 CA VAL A 67 -5.957 1.053 2.982 1.00 0.00 C ATOM 135 C VAL A 67 -7.179 1.815 3.399 1.00 0.00 C ATOM 136 O VAL A 67 -7.357 2.962 2.994 1.00 0.00 O ATOM 137 CB VAL A 67 -5.983 0.874 1.479 1.00 0.00 C ATOM 138 CG1 VAL A 67 -4.645 0.270 1.022 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.200 0.039 1.047 1.00 0.00 C ATOM 0 H VAL A 67 -6.351 -0.966 3.237 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.067 1.620 3.253 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.097 1.841 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.656 0.138 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.830 0.940 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.499 -0.697 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.196 -0.076 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.152 -0.944 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.116 0.544 1.355 1.00 0.00 H new ATOM 149 N ARG A 68 -8.057 1.202 4.223 1.00 0.00 N ATOM 150 CA ARG A 68 -9.339 1.778 4.547 1.00 0.00 C ATOM 151 C ARG A 68 -9.251 2.650 5.773 1.00 0.00 C ATOM 152 O ARG A 68 -10.194 2.730 6.560 1.00 0.00 O ATOM 153 CB ARG A 68 -10.414 0.690 4.771 1.00 0.00 C ATOM 154 CG ARG A 68 -10.009 -0.376 5.799 1.00 0.00 C ATOM 155 CD ARG A 68 -11.077 -1.451 6.019 1.00 0.00 C ATOM 156 NE ARG A 68 -12.220 -0.828 6.748 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.185 -1.596 7.334 1.00 0.00 C ATOM 158 NH1 ARG A 68 -13.162 -2.955 7.206 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.178 -1.001 8.058 1.00 0.00 N ATOM 0 H ARG A 68 -7.880 0.302 4.669 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.632 2.389 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.338 1.167 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.628 0.202 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.086 -0.854 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.794 0.111 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.411 -1.857 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.667 -2.282 6.593 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.282 0.188 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.420 -3.404 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.887 -3.521 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.197 0.014 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.901 -1.571 8.497 1.00 0.00 H new ATOM 173 N ALA A 69 -8.113 3.352 5.939 1.00 0.00 N ATOM 174 CA ALA A 69 -7.905 4.270 7.018 1.00 0.00 C ATOM 175 C ALA A 69 -7.820 5.627 6.406 1.00 0.00 C ATOM 176 O ALA A 69 -8.272 6.614 6.984 1.00 0.00 O ATOM 177 CB ALA A 69 -6.568 4.028 7.735 1.00 0.00 C ATOM 0 H ALA A 69 -7.317 3.279 5.306 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.714 4.155 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.454 4.748 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.551 3.017 8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.748 4.147 7.026 1.00 0.00 H new ATOM 183 N TYR A 70 -7.209 5.686 5.208 1.00 0.00 N ATOM 184 CA TYR A 70 -6.821 6.927 4.607 1.00 0.00 C ATOM 185 C TYR A 70 -7.979 7.519 3.873 1.00 0.00 C ATOM 186 O TYR A 70 -8.223 8.721 3.964 1.00 0.00 O ATOM 187 CB TYR A 70 -5.694 6.732 3.583 1.00 0.00 C ATOM 188 CG TYR A 70 -4.611 5.923 4.213 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.821 6.445 5.221 1.00 0.00 C ATOM 190 CD2 TYR A 70 -4.392 4.626 3.789 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.835 5.673 5.803 1.00 0.00 C ATOM 192 CE2 TYR A 70 -3.402 3.854 4.363 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.628 4.379 5.374 1.00 0.00 C ATOM 194 OH TYR A 70 -1.627 3.587 5.968 1.00 0.00 O ATOM 0 H TYR A 70 -6.981 4.864 4.649 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.481 7.578 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.074 6.228 2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.305 7.698 3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.976 7.461 5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.002 4.212 3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.226 6.083 6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.235 2.843 4.021 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.178 4.101 6.671 1.00 0.00 H new ATOM 204 N GLY A 71 -8.708 6.675 3.117 1.00 0.00 N ATOM 205 CA GLY A 71 -9.736 7.146 2.231 1.00 0.00 C ATOM 206 C GLY A 71 -9.529 6.463 0.920 1.00 0.00 C ATOM 207 O GLY A 71 -10.322 6.627 -0.007 1.00 0.00 O ATOM 0 H GLY A 71 -8.586 5.662 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.724 6.920 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.679 8.228 2.115 1.00 0.00 H new ATOM 211 N LEU A 72 -8.445 5.666 0.828 1.00 0.00 N ATOM 212 CA LEU A 72 -8.173 4.862 -0.323 1.00 0.00 C ATOM 213 C LEU A 72 -9.111 3.725 -0.302 1.00 0.00 C ATOM 214 O LEU A 72 -9.571 3.288 0.751 1.00 0.00 O ATOM 215 CB LEU A 72 -6.804 4.191 -0.255 1.00 0.00 C ATOM 216 CG LEU A 72 -5.613 5.150 -0.190 1.00 0.00 C ATOM 217 CD1 LEU A 72 -4.354 4.345 0.163 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.470 5.939 -1.498 1.00 0.00 C ATOM 0 H LEU A 72 -7.747 5.580 1.567 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.244 5.515 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.777 3.543 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.687 3.550 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.771 5.896 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.496 5.015 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.492 3.859 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.179 3.589 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.616 6.613 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.316 5.247 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.376 6.519 -1.674 1.00 0.00 H new ATOM 230 N ASN A 73 -9.413 3.257 -1.520 1.00 0.00 N ATOM 231 CA ASN A 73 -10.342 2.199 -1.716 1.00 0.00 C ATOM 232 C ASN A 73 -9.674 1.111 -2.477 1.00 0.00 C ATOM 233 O ASN A 73 -10.352 0.349 -3.167 1.00 0.00 O ATOM 234 CB ASN A 73 -11.645 2.647 -2.420 1.00 0.00 C ATOM 235 CG ASN A 73 -11.396 3.122 -3.858 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.561 3.991 -4.138 1.00 0.00 O ATOM 237 ND2 ASN A 73 -12.193 2.524 -4.796 1.00 0.00 N ATOM 0 H ASN A 73 -9.005 3.619 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.651 1.841 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.353 1.818 -2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.106 3.452 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.113 2.790 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.867 1.812 -4.514 1.00 0.00 H new ATOM 244 N TYR A 74 -8.323 1.037 -2.352 1.00 0.00 N ATOM 245 CA TYR A 74 -7.459 0.073 -2.995 1.00 0.00 C ATOM 246 C TYR A 74 -7.165 0.493 -4.411 1.00 0.00 C ATOM 247 O TYR A 74 -6.111 0.158 -4.943 1.00 0.00 O ATOM 248 CB TYR A 74 -7.921 -1.413 -2.884 1.00 0.00 C ATOM 249 CG TYR A 74 -7.260 -2.311 -3.876 1.00 0.00 C ATOM 250 CD1 TYR A 74 -6.034 -2.894 -3.617 1.00 0.00 C ATOM 251 CD2 TYR A 74 -7.906 -2.600 -5.066 1.00 0.00 C ATOM 252 CE1 TYR A 74 -5.449 -3.735 -4.544 1.00 0.00 C ATOM 253 CE2 TYR A 74 -7.319 -3.427 -6.000 1.00 0.00 C ATOM 254 CZ TYR A 74 -6.090 -3.992 -5.740 1.00 0.00 C ATOM 255 OH TYR A 74 -5.502 -4.832 -6.707 1.00 0.00 O ATOM 0 H TYR A 74 -7.804 1.691 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.527 0.082 -2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.712 -1.777 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.001 -1.462 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.530 -2.691 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.878 -2.174 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.493 -4.190 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.822 -3.631 -6.934 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.094 -4.900 -7.485 1.00 0.00 H new ATOM 265 N SER A 75 -8.082 1.243 -5.055 1.00 0.00 N ATOM 266 CA SER A 75 -7.992 1.559 -6.450 1.00 0.00 C ATOM 267 C SER A 75 -7.002 2.648 -6.657 1.00 0.00 C ATOM 268 O SER A 75 -6.228 2.630 -7.612 1.00 0.00 O ATOM 269 CB SER A 75 -9.337 2.036 -7.024 1.00 0.00 C ATOM 270 OG SER A 75 -9.221 2.297 -8.414 1.00 0.00 O ATOM 0 H SER A 75 -8.903 1.638 -4.596 1.00 0.00 H new ATOM 0 HA SER A 75 -7.691 0.645 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.101 1.278 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.661 2.938 -6.505 1.00 0.00 H new ATOM 0 HG SER A 75 -10.086 2.598 -8.764 1.00 0.00 H new ATOM 276 N THR A 76 -7.025 3.640 -5.753 1.00 0.00 N ATOM 277 CA THR A 76 -6.207 4.803 -5.891 1.00 0.00 C ATOM 278 C THR A 76 -4.866 4.515 -5.299 1.00 0.00 C ATOM 279 O THR A 76 -3.864 5.144 -5.649 1.00 0.00 O ATOM 280 CB THR A 76 -6.813 5.978 -5.189 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.441 5.540 -3.993 1.00 0.00 O ATOM 282 CG2 THR A 76 -7.869 6.597 -6.118 1.00 0.00 C ATOM 0 H THR A 76 -7.614 3.637 -4.920 1.00 0.00 H new ATOM 0 HA THR A 76 -6.119 5.047 -6.950 1.00 0.00 H new ATOM 0 HB THR A 76 -6.044 6.711 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.837 6.308 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.326 7.457 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.395 6.918 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.637 5.856 -6.341 1.00 0.00 H new ATOM 290 N PHE A 77 -4.827 3.510 -4.404 1.00 0.00 N ATOM 291 CA PHE A 77 -3.604 3.019 -3.855 1.00 0.00 C ATOM 292 C PHE A 77 -2.828 2.484 -5.004 1.00 0.00 C ATOM 293 O PHE A 77 -1.660 2.825 -5.180 1.00 0.00 O ATOM 294 CB PHE A 77 -3.867 1.858 -2.880 1.00 0.00 C ATOM 295 CG PHE A 77 -2.638 1.413 -2.152 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.733 2.295 -1.580 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.438 0.056 -1.991 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.651 1.823 -0.862 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.365 -0.417 -1.267 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.467 0.465 -0.700 1.00 0.00 C ATOM 0 H PHE A 77 -5.659 3.032 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.084 3.811 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.621 2.164 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.280 1.014 -3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.875 3.359 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.130 -0.642 -2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.052 2.518 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.226 -1.481 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.374 0.094 -0.133 1.00 0.00 H new ATOM 310 N ILE A 78 -3.523 1.658 -5.815 1.00 0.00 N ATOM 311 CA ILE A 78 -2.979 0.919 -6.918 1.00 0.00 C ATOM 312 C ILE A 78 -2.376 1.855 -7.919 1.00 0.00 C ATOM 313 O ILE A 78 -1.297 1.582 -8.446 1.00 0.00 O ATOM 314 CB ILE A 78 -4.050 0.054 -7.558 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.761 -1.433 -7.289 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.302 0.289 -9.066 1.00 0.00 C ATOM 317 CD1 ILE A 78 -2.542 -2.023 -8.006 1.00 0.00 C ATOM 0 H ILE A 78 -4.523 1.498 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.193 0.261 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.978 0.365 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.626 -1.568 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.640 -2.011 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.086 -0.384 -9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.612 1.321 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.385 0.095 -9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.438 -3.075 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.675 -1.932 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.645 -1.482 -7.704 1.00 0.00 H new ATOM 329 N ASN A 79 -3.074 2.980 -8.194 1.00 0.00 N ATOM 330 CA ASN A 79 -2.663 3.865 -9.253 1.00 0.00 C ATOM 331 C ASN A 79 -1.386 4.524 -8.903 1.00 0.00 C ATOM 332 O ASN A 79 -0.463 4.621 -9.707 1.00 0.00 O ATOM 333 CB ASN A 79 -3.681 4.964 -9.669 1.00 0.00 C ATOM 334 CG ASN A 79 -3.715 6.314 -8.923 1.00 0.00 C ATOM 335 OD1 ASN A 79 -4.472 6.523 -7.974 1.00 0.00 O ATOM 336 ND2 ASN A 79 -2.907 7.287 -9.451 1.00 0.00 N ATOM 0 H ASN A 79 -3.911 3.275 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.569 3.206 -10.116 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.509 5.182 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.677 4.527 -9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.918 8.228 -9.057 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.295 7.070 -10.238 1.00 0.00 H new ATOM 343 N GLY A 80 -1.359 5.006 -7.662 1.00 0.00 N ATOM 344 CA GLY A 80 -0.265 5.779 -7.148 1.00 0.00 C ATOM 345 C GLY A 80 0.952 4.944 -6.890 1.00 0.00 C ATOM 346 O GLY A 80 2.043 5.503 -6.786 1.00 0.00 O ATOM 0 H GLY A 80 -2.112 4.861 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.017 6.569 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.571 6.266 -6.222 1.00 0.00 H new ATOM 350 N LEU A 81 0.815 3.603 -6.766 1.00 0.00 N ATOM 351 CA LEU A 81 1.991 2.756 -6.725 1.00 0.00 C ATOM 352 C LEU A 81 2.743 2.857 -8.004 1.00 0.00 C ATOM 353 O LEU A 81 3.967 2.830 -8.002 1.00 0.00 O ATOM 354 CB LEU A 81 1.805 1.233 -6.639 1.00 0.00 C ATOM 355 CG LEU A 81 0.790 0.722 -5.619 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.628 -0.796 -5.777 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.133 1.104 -4.169 1.00 0.00 C ATOM 0 H LEU A 81 -0.077 3.113 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 81 2.458 3.127 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.510 0.870 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.772 0.785 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.160 1.215 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.096 -1.162 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.277 -1.022 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.588 -1.284 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.370 0.709 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.103 0.685 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.169 2.190 -4.078 1.00 0.00 H new ATOM 369 N LYS A 82 2.018 2.925 -9.137 1.00 0.00 N ATOM 370 CA LYS A 82 2.607 2.884 -10.443 1.00 0.00 C ATOM 371 C LYS A 82 3.247 4.205 -10.701 1.00 0.00 C ATOM 372 O LYS A 82 4.250 4.302 -11.407 1.00 0.00 O ATOM 373 CB LYS A 82 1.537 2.643 -11.525 1.00 0.00 C ATOM 374 CG LYS A 82 2.107 2.181 -12.873 1.00 0.00 C ATOM 375 CD LYS A 82 1.036 1.960 -13.953 1.00 0.00 C ATOM 376 CE LYS A 82 0.052 0.825 -13.641 1.00 0.00 C ATOM 377 NZ LYS A 82 -0.893 0.640 -14.765 1.00 0.00 N ATOM 0 H LYS A 82 1.002 3.010 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 82 3.332 2.071 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.832 1.894 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.974 3.564 -11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.822 2.923 -13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.659 1.253 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.475 2.885 -14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.530 1.747 -14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.599 -0.100 -13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.498 1.053 -12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.553 -0.131 -14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.427 1.519 -14.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.364 0.402 -15.628 1.00 0.00 H new ATOM 391 N LYS A 83 2.668 5.256 -10.092 1.00 0.00 N ATOM 392 CA LYS A 83 3.124 6.602 -10.238 1.00 0.00 C ATOM 393 C LYS A 83 4.404 6.758 -9.471 1.00 0.00 C ATOM 394 O LYS A 83 5.267 7.553 -9.838 1.00 0.00 O ATOM 395 CB LYS A 83 2.066 7.583 -9.703 1.00 0.00 C ATOM 396 CG LYS A 83 2.220 9.002 -10.259 1.00 0.00 C ATOM 397 CD LYS A 83 1.009 9.882 -9.927 1.00 0.00 C ATOM 398 CE LYS A 83 1.022 11.243 -10.631 1.00 0.00 C ATOM 399 NZ LYS A 83 2.235 12.011 -10.274 1.00 0.00 N ATOM 0 H LYS A 83 1.858 5.165 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 83 3.292 6.822 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.073 7.208 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.129 7.617 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.122 9.456 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.349 8.956 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.098 9.350 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.972 10.041 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.983 11.099 -11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.133 11.809 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.019 13.028 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.550 11.739 -9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.990 11.807 -10.960 1.00 0.00 H new ATOM 413 N ALA A 84 4.549 5.966 -8.389 1.00 0.00 N ATOM 414 CA ALA A 84 5.713 5.968 -7.554 1.00 0.00 C ATOM 415 C ALA A 84 6.819 5.234 -8.241 1.00 0.00 C ATOM 416 O ALA A 84 7.922 5.764 -8.379 1.00 0.00 O ATOM 417 CB ALA A 84 5.448 5.311 -6.189 1.00 0.00 C ATOM 0 H ALA A 84 3.834 5.304 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 84 5.990 7.008 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.359 5.336 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.658 5.855 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.139 4.276 -6.337 1.00 0.00 H new ATOM 423 N GLY A 85 6.536 3.997 -8.694 1.00 0.00 N ATOM 424 CA GLY A 85 7.500 3.159 -9.350 1.00 0.00 C ATOM 425 C GLY A 85 7.737 1.989 -8.459 1.00 0.00 C ATOM 426 O GLY A 85 8.846 1.465 -8.377 1.00 0.00 O ATOM 0 H GLY A 85 5.615 3.567 -8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.131 2.834 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.428 3.703 -9.527 1.00 0.00 H new ATOM 430 N ILE A 86 6.666 1.569 -7.767 1.00 0.00 N ATOM 431 CA ILE A 86 6.665 0.493 -6.840 1.00 0.00 C ATOM 432 C ILE A 86 6.010 -0.607 -7.613 1.00 0.00 C ATOM 433 O ILE A 86 6.639 -1.642 -7.824 1.00 0.00 O ATOM 434 CB ILE A 86 5.889 0.880 -5.593 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.655 1.996 -4.845 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.630 -0.350 -4.706 1.00 0.00 C ATOM 437 CD1 ILE A 86 5.871 2.565 -3.664 1.00 0.00 C ATOM 0 H ILE A 86 5.751 2.008 -7.863 1.00 0.00 H new ATOM 0 HA ILE A 86 7.652 0.205 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 86 4.910 1.269 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.606 1.600 -4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.887 2.801 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.073 -0.048 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.052 -1.086 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.581 -0.788 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.459 3.344 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.932 2.988 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.662 1.769 -2.949 1.00 0.00 H new ATOM 449 N GLU A 87 4.751 -0.344 -8.065 1.00 0.00 N ATOM 450 CA GLU A 87 3.794 -1.249 -8.674 1.00 0.00 C ATOM 451 C GLU A 87 4.062 -2.670 -8.323 1.00 0.00 C ATOM 452 O GLU A 87 4.647 -3.434 -9.091 1.00 0.00 O ATOM 453 CB GLU A 87 3.605 -1.075 -10.197 1.00 0.00 C ATOM 454 CG GLU A 87 2.447 -1.897 -10.796 1.00 0.00 C ATOM 455 CD GLU A 87 1.154 -1.614 -10.039 1.00 0.00 C ATOM 456 OE1 GLU A 87 0.682 -0.448 -10.075 1.00 0.00 O ATOM 457 OE2 GLU A 87 0.620 -2.569 -9.412 1.00 0.00 O ATOM 0 H GLU A 87 4.368 0.599 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 87 2.840 -0.958 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.433 -0.020 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.531 -1.355 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.322 -1.648 -11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.682 -2.960 -10.745 1.00 0.00 H new ATOM 464 N LEU A 88 3.676 -3.004 -7.083 1.00 0.00 N ATOM 465 CA LEU A 88 4.119 -4.199 -6.448 1.00 0.00 C ATOM 466 C LEU A 88 2.864 -4.893 -6.010 1.00 0.00 C ATOM 467 O LEU A 88 1.908 -4.941 -6.782 1.00 0.00 O ATOM 468 CB LEU A 88 5.064 -3.773 -5.307 1.00 0.00 C ATOM 469 CG LEU A 88 6.055 -4.834 -4.791 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.063 -5.278 -5.868 1.00 0.00 C ATOM 471 CD2 LEU A 88 6.786 -4.304 -3.544 1.00 0.00 C ATOM 0 H LEU A 88 3.048 -2.437 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 88 4.686 -4.891 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.637 -2.910 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.454 -3.441 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 88 5.477 -5.719 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.737 -6.026 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.526 -5.706 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.641 -4.416 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.485 -5.059 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.332 -3.396 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.059 -4.081 -2.763 1.00 0.00 H new ATOM 483 N ASP A 89 2.844 -5.414 -4.760 1.00 0.00 N ATOM 484 CA ASP A 89 1.680 -5.944 -4.088 1.00 0.00 C ATOM 485 C ASP A 89 1.256 -7.225 -4.722 1.00 0.00 C ATOM 486 O ASP A 89 0.516 -7.229 -5.705 1.00 0.00 O ATOM 487 CB ASP A 89 0.406 -5.058 -4.049 1.00 0.00 C ATOM 488 CG ASP A 89 0.600 -3.596 -3.652 1.00 0.00 C ATOM 489 OD1 ASP A 89 1.754 -3.111 -3.559 1.00 0.00 O ATOM 490 OD2 ASP A 89 -0.454 -2.934 -3.439 1.00 0.00 O ATOM 0 H ASP A 89 3.685 -5.469 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 89 2.035 -6.037 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.057 -5.084 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.301 -5.509 -3.353 1.00 0.00 H new ATOM 495 N ARG A 90 1.686 -8.361 -4.148 1.00 0.00 N ATOM 496 CA ARG A 90 1.053 -9.587 -4.518 1.00 0.00 C ATOM 497 C ARG A 90 1.380 -10.552 -3.412 1.00 0.00 C ATOM 498 O ARG A 90 1.992 -11.599 -3.623 1.00 0.00 O ATOM 499 CB ARG A 90 1.556 -10.175 -5.862 1.00 0.00 C ATOM 500 CG ARG A 90 0.652 -11.276 -6.436 1.00 0.00 C ATOM 501 CD ARG A 90 1.199 -11.905 -7.719 1.00 0.00 C ATOM 502 NE ARG A 90 0.164 -12.849 -8.247 1.00 0.00 N ATOM 503 CZ ARG A 90 -0.809 -12.446 -9.118 1.00 0.00 C ATOM 504 NH1 ARG A 90 -0.865 -11.158 -9.565 1.00 0.00 N ATOM 505 NH2 ARG A 90 -1.742 -13.348 -9.549 1.00 0.00 N ATOM 0 H ARG A 90 2.436 -8.434 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.014 -9.411 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.639 -9.369 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.558 -10.579 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.521 -12.056 -5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.334 -10.858 -6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.423 -11.134 -8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.130 -12.434 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 90 0.186 -13.824 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.173 -10.478 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.598 -10.875 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.708 -14.313 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.472 -13.056 -10.199 1.00 0.00 H new ATOM 519 N LYS A 91 0.969 -10.169 -2.188 1.00 0.00 N ATOM 520 CA LYS A 91 1.262 -10.802 -0.935 1.00 0.00 C ATOM 521 C LYS A 91 2.712 -10.620 -0.759 1.00 0.00 C ATOM 522 O LYS A 91 3.505 -11.559 -0.791 1.00 0.00 O ATOM 523 CB LYS A 91 0.919 -12.305 -0.734 1.00 0.00 C ATOM 524 CG LYS A 91 -0.571 -12.686 -0.719 1.00 0.00 C ATOM 525 CD LYS A 91 -1.241 -12.739 -2.103 1.00 0.00 C ATOM 526 CE LYS A 91 -2.751 -13.007 -2.052 1.00 0.00 C ATOM 527 NZ LYS A 91 -3.038 -14.285 -1.369 1.00 0.00 N ATOM 0 H LYS A 91 0.381 -9.345 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 91 0.606 -10.331 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.406 -12.872 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.361 -12.630 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.677 -13.661 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.108 -11.968 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.067 -11.794 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.763 -13.518 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.252 -12.191 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.154 -13.033 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.052 -14.502 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.484 -15.047 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.781 -14.207 -0.364 1.00 0.00 H new ATOM 541 N ILE A 92 3.060 -9.340 -0.603 1.00 0.00 N ATOM 542 CA ILE A 92 4.406 -8.890 -0.700 1.00 0.00 C ATOM 543 C ILE A 92 4.403 -7.711 0.199 1.00 0.00 C ATOM 544 O ILE A 92 5.218 -7.590 1.113 1.00 0.00 O ATOM 545 CB ILE A 92 4.717 -8.456 -2.123 1.00 0.00 C ATOM 546 CG1 ILE A 92 5.025 -9.657 -3.050 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.887 -7.454 -2.134 1.00 0.00 C ATOM 548 CD1 ILE A 92 6.308 -10.425 -2.710 1.00 0.00 C ATOM 0 H ILE A 92 2.390 -8.597 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 92 5.144 -9.649 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 92 3.824 -7.969 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.184 -10.350 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.097 -9.296 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.098 -7.152 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.620 -6.576 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.772 -7.923 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.437 -11.247 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.163 -9.752 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.237 -10.822 -1.698 1.00 0.00 H new ATOM 560 N LEU A 93 3.450 -6.809 -0.069 1.00 0.00 N ATOM 561 CA LEU A 93 3.436 -5.536 0.570 1.00 0.00 C ATOM 562 C LEU A 93 2.341 -5.670 1.529 1.00 0.00 C ATOM 563 O LEU A 93 2.300 -5.048 2.582 1.00 0.00 O ATOM 564 CB LEU A 93 2.977 -4.520 -0.431 1.00 0.00 C ATOM 565 CG LEU A 93 2.240 -3.262 0.077 1.00 0.00 C ATOM 566 CD1 LEU A 93 2.811 -2.004 -0.590 1.00 0.00 C ATOM 567 CD2 LEU A 93 0.718 -3.327 -0.068 1.00 0.00 C ATOM 0 H LEU A 93 2.688 -6.961 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 93 4.399 -5.253 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.852 -4.188 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.320 -5.026 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 93 2.421 -3.215 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.282 -1.125 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.871 -1.915 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.687 -2.077 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.277 -2.405 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.458 -3.448 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.334 -4.174 0.500 1.00 0.00 H new ATOM 579 N ALA A 94 1.409 -6.520 1.109 1.00 0.00 N ATOM 580 CA ALA A 94 0.346 -7.044 1.897 1.00 0.00 C ATOM 581 C ALA A 94 0.879 -7.719 3.098 1.00 0.00 C ATOM 582 O ALA A 94 0.247 -7.690 4.152 1.00 0.00 O ATOM 583 CB ALA A 94 -0.325 -8.184 1.168 1.00 0.00 C ATOM 0 H ALA A 94 1.392 -6.869 0.151 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.314 -6.205 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.137 -8.579 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.725 -7.824 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.403 -8.973 0.978 1.00 0.00 H new ATOM 589 N ASP A 95 2.065 -8.345 2.948 1.00 0.00 N ATOM 590 CA ASP A 95 2.805 -8.750 4.076 1.00 0.00 C ATOM 591 C ASP A 95 3.093 -7.591 4.929 1.00 0.00 C ATOM 592 O ASP A 95 2.644 -7.537 6.062 1.00 0.00 O ATOM 593 CB ASP A 95 4.117 -9.492 3.789 1.00 0.00 C ATOM 594 CG ASP A 95 4.101 -10.398 2.568 1.00 0.00 C ATOM 595 OD1 ASP A 95 3.047 -11.030 2.296 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.189 -10.542 1.949 1.00 0.00 O ATOM 0 H ASP A 95 2.496 -8.562 2.049 1.00 0.00 H new ATOM 0 HA ASP A 95 2.162 -9.476 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.911 -8.756 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.374 -10.092 4.662 1.00 0.00 H new ATOM 601 N MET A 96 3.837 -6.620 4.400 1.00 0.00 N ATOM 602 CA MET A 96 4.396 -5.589 5.220 1.00 0.00 C ATOM 603 C MET A 96 3.317 -4.714 5.841 1.00 0.00 C ATOM 604 O MET A 96 3.564 -4.030 6.824 1.00 0.00 O ATOM 605 CB MET A 96 5.446 -4.815 4.403 1.00 0.00 C ATOM 606 CG MET A 96 5.386 -3.297 4.415 1.00 0.00 C ATOM 607 SD MET A 96 6.527 -2.590 3.200 1.00 0.00 S ATOM 608 CE MET A 96 5.195 -2.393 2.004 1.00 0.00 C ATOM 0 H MET A 96 4.056 -6.541 3.407 1.00 0.00 H new ATOM 0 HA MET A 96 4.909 -6.028 6.075 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.432 -5.112 4.760 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.370 -5.143 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.370 -2.968 4.198 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.635 -2.928 5.410 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.605 -2.425 0.994 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.472 -3.200 2.128 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.700 -1.435 2.165 1.00 0.00 H new ATOM 618 N ALA A 97 2.067 -4.761 5.336 1.00 0.00 N ATOM 619 CA ALA A 97 0.938 -4.091 5.923 1.00 0.00 C ATOM 620 C ALA A 97 0.717 -4.554 7.326 1.00 0.00 C ATOM 621 O ALA A 97 0.460 -3.746 8.218 1.00 0.00 O ATOM 622 CB ALA A 97 -0.361 -4.355 5.148 1.00 0.00 C ATOM 0 H ALA A 97 1.832 -5.282 4.491 1.00 0.00 H new ATOM 0 HA ALA A 97 1.172 -3.027 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.185 -3.828 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.252 -3.999 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.569 -5.425 5.141 1.00 0.00 H new ATOM 628 N VAL A 98 0.825 -5.877 7.541 1.00 0.00 N ATOM 629 CA VAL A 98 0.574 -6.469 8.817 1.00 0.00 C ATOM 630 C VAL A 98 1.867 -6.484 9.571 1.00 0.00 C ATOM 631 O VAL A 98 1.964 -5.903 10.650 1.00 0.00 O ATOM 632 CB VAL A 98 0.058 -7.893 8.747 1.00 0.00 C ATOM 633 CG1 VAL A 98 -0.701 -8.191 10.053 1.00 0.00 C ATOM 634 CG2 VAL A 98 -0.804 -8.080 7.483 1.00 0.00 C ATOM 0 H VAL A 98 1.091 -6.546 6.818 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.202 -5.875 9.300 1.00 0.00 H new ATOM 0 HB VAL A 98 0.875 -8.609 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.083 -9.212 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.025 -8.078 10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.533 -7.495 10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.170 -9.106 7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.650 -7.393 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.202 -7.873 6.598 1.00 0.00 H new ATOM 644 N ARG A 99 2.880 -7.185 9.018 1.00 0.00 N ATOM 645 CA ARG A 99 4.008 -7.606 9.776 1.00 0.00 C ATOM 646 C ARG A 99 5.107 -6.581 9.866 1.00 0.00 C ATOM 647 O ARG A 99 5.868 -6.610 10.832 1.00 0.00 O ATOM 648 CB ARG A 99 4.593 -8.956 9.300 1.00 0.00 C ATOM 649 CG ARG A 99 4.438 -9.413 7.827 1.00 0.00 C ATOM 650 CD ARG A 99 3.132 -10.134 7.400 1.00 0.00 C ATOM 651 NE ARG A 99 2.794 -11.205 8.379 1.00 0.00 N ATOM 652 CZ ARG A 99 1.613 -11.885 8.283 1.00 0.00 C ATOM 653 NH1 ARG A 99 0.722 -11.584 7.294 1.00 0.00 N ATOM 654 NH2 ARG A 99 1.323 -12.873 9.179 1.00 0.00 N ATOM 0 H ARG A 99 2.910 -7.459 8.036 1.00 0.00 H new ATOM 0 HA ARG A 99 3.603 -7.739 10.779 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.661 -8.937 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.153 -9.734 9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.550 -8.532 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.271 -10.077 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.314 -9.416 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.254 -10.564 6.406 1.00 0.00 H new ATOM 0 HE ARG A 99 3.449 -11.432 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.936 -10.848 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.158 -12.095 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.987 -13.102 9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.442 -13.382 9.109 1.00 0.00 H new ATOM 668 N ASP A 100 5.215 -5.644 8.896 1.00 0.00 N ATOM 669 CA ASP A 100 6.176 -4.565 8.950 1.00 0.00 C ATOM 670 C ASP A 100 5.509 -3.221 8.820 1.00 0.00 C ATOM 671 O ASP A 100 5.688 -2.572 7.795 1.00 0.00 O ATOM 672 CB ASP A 100 7.171 -4.670 7.783 1.00 0.00 C ATOM 673 CG ASP A 100 8.477 -3.932 8.067 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.584 -3.257 9.125 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.395 -4.038 7.211 1.00 0.00 O ATOM 0 H ASP A 100 4.629 -5.632 8.061 1.00 0.00 H new ATOM 0 HA ASP A 100 6.678 -4.650 9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.385 -5.720 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.714 -4.262 6.881 1.00 0.00 H new ATOM 680 N PRO A 101 4.750 -2.726 9.760 1.00 0.00 N ATOM 681 CA PRO A 101 3.880 -1.596 9.549 1.00 0.00 C ATOM 682 C PRO A 101 4.681 -0.326 9.506 1.00 0.00 C ATOM 683 O PRO A 101 4.120 0.702 9.137 1.00 0.00 O ATOM 684 CB PRO A 101 2.935 -1.609 10.754 1.00 0.00 C ATOM 685 CG PRO A 101 3.677 -2.411 11.828 1.00 0.00 C ATOM 686 CD PRO A 101 4.520 -3.388 11.017 1.00 0.00 C ATOM 0 HA PRO A 101 3.338 -1.651 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.717 -0.597 11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.981 -2.073 10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.297 -1.768 12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.986 -2.931 12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.459 -3.613 11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.000 -4.335 10.875 1.00 0.00 H new ATOM 694 N GLN A 102 5.980 -0.376 9.862 1.00 0.00 N ATOM 695 CA GLN A 102 6.857 0.750 9.767 1.00 0.00 C ATOM 696 C GLN A 102 7.121 1.022 8.323 1.00 0.00 C ATOM 697 O GLN A 102 7.142 2.177 7.901 1.00 0.00 O ATOM 698 CB GLN A 102 8.229 0.472 10.406 1.00 0.00 C ATOM 699 CG GLN A 102 8.139 0.105 11.890 1.00 0.00 C ATOM 700 CD GLN A 102 9.553 -0.145 12.414 1.00 0.00 C ATOM 701 OE1 GLN A 102 10.536 -0.117 11.664 1.00 0.00 O ATOM 702 NE2 GLN A 102 9.640 -0.401 13.755 1.00 0.00 N ATOM 0 H GLN A 102 6.429 -1.218 10.223 1.00 0.00 H new ATOM 0 HA GLN A 102 6.375 1.582 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.716 -0.340 9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.860 1.353 10.294 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.664 0.910 12.451 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.523 -0.784 12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.796 -0.412 14.328 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.549 -0.581 14.182 1.00 0.00 H new ATOM 711 N ALA A 103 7.336 -0.053 7.535 1.00 0.00 N ATOM 712 CA ALA A 103 7.739 0.073 6.172 1.00 0.00 C ATOM 713 C ALA A 103 6.498 0.217 5.362 1.00 0.00 C ATOM 714 O ALA A 103 6.523 0.866 4.316 1.00 0.00 O ATOM 715 CB ALA A 103 8.522 -1.146 5.675 1.00 0.00 C ATOM 0 H ALA A 103 7.228 -1.017 7.851 1.00 0.00 H new ATOM 0 HA ALA A 103 8.400 0.934 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.804 -0.997 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.420 -1.273 6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.900 -2.037 5.759 1.00 0.00 H new ATOM 721 N PHE A 104 5.377 -0.376 5.836 1.00 0.00 N ATOM 722 CA PHE A 104 4.098 -0.061 5.237 1.00 0.00 C ATOM 723 C PHE A 104 3.848 1.415 5.196 1.00 0.00 C ATOM 724 O PHE A 104 3.460 1.931 4.152 1.00 0.00 O ATOM 725 CB PHE A 104 2.874 -0.658 5.943 1.00 0.00 C ATOM 726 CG PHE A 104 1.688 -0.554 5.031 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.615 -1.365 3.914 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.626 0.294 5.303 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.498 -1.355 3.109 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.486 0.323 4.476 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.558 -0.511 3.377 1.00 0.00 C ATOM 0 H PHE A 104 5.349 -1.048 6.603 1.00 0.00 H new ATOM 0 HA PHE A 104 4.193 -0.504 4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.060 -1.700 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.680 -0.127 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.443 -2.014 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.665 0.939 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.449 -2.017 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.299 1.000 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.428 -0.502 2.738 1.00 0.00 H new ATOM 741 N GLU A 105 4.070 2.134 6.320 1.00 0.00 N ATOM 742 CA GLU A 105 3.800 3.546 6.351 1.00 0.00 C ATOM 743 C GLU A 105 4.760 4.315 5.499 1.00 0.00 C ATOM 744 O GLU A 105 4.419 5.405 5.053 1.00 0.00 O ATOM 745 CB GLU A 105 3.882 4.186 7.752 1.00 0.00 C ATOM 746 CG GLU A 105 2.753 3.779 8.710 1.00 0.00 C ATOM 747 CD GLU A 105 1.403 4.119 8.094 1.00 0.00 C ATOM 748 OE1 GLU A 105 1.174 5.313 7.764 1.00 0.00 O ATOM 749 OE2 GLU A 105 0.579 3.177 7.951 1.00 0.00 O ATOM 0 H GLU A 105 4.430 1.746 7.192 1.00 0.00 H new ATOM 0 HA GLU A 105 2.776 3.608 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.837 3.918 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.874 5.270 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.809 2.711 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.868 4.296 9.663 1.00 0.00 H new ATOM 756 N GLN A 106 5.968 3.780 5.233 1.00 0.00 N ATOM 757 CA GLN A 106 6.922 4.447 4.390 1.00 0.00 C ATOM 758 C GLN A 106 6.507 4.395 2.954 1.00 0.00 C ATOM 759 O GLN A 106 6.795 5.319 2.198 1.00 0.00 O ATOM 760 CB GLN A 106 8.310 3.789 4.421 1.00 0.00 C ATOM 761 CG GLN A 106 9.164 4.193 5.628 1.00 0.00 C ATOM 762 CD GLN A 106 9.408 5.702 5.592 1.00 0.00 C ATOM 763 OE1 GLN A 106 8.938 6.442 6.464 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.165 6.155 4.547 1.00 0.00 N ATOM 0 H GLN A 106 6.287 2.884 5.601 1.00 0.00 H new ATOM 0 HA GLN A 106 6.964 5.465 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.187 2.706 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.845 4.049 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.659 3.917 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.114 3.659 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.527 5.497 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.368 7.151 4.458 1.00 0.00 H new ATOM 773 N VAL A 107 5.827 3.305 2.551 1.00 0.00 N ATOM 774 CA VAL A 107 5.364 3.136 1.197 1.00 0.00 C ATOM 775 C VAL A 107 4.237 4.088 0.989 1.00 0.00 C ATOM 776 O VAL A 107 4.124 4.705 -0.067 1.00 0.00 O ATOM 777 CB VAL A 107 4.898 1.722 0.902 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.028 1.671 -0.371 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.162 0.862 0.745 1.00 0.00 C ATOM 0 H VAL A 107 5.593 2.528 3.169 1.00 0.00 H new ATOM 0 HA VAL A 107 6.195 3.332 0.519 1.00 0.00 H new ATOM 0 HB VAL A 107 4.273 1.347 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.711 0.644 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.150 2.304 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.607 2.029 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.877 -0.168 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.766 1.249 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.741 0.894 1.668 1.00 0.00 H new ATOM 789 N VAL A 108 3.392 4.238 2.019 1.00 0.00 N ATOM 790 CA VAL A 108 2.260 5.111 1.986 1.00 0.00 C ATOM 791 C VAL A 108 2.733 6.527 1.850 1.00 0.00 C ATOM 792 O VAL A 108 2.155 7.294 1.086 1.00 0.00 O ATOM 793 CB VAL A 108 1.432 4.937 3.239 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.422 6.080 3.412 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.731 3.571 3.140 1.00 0.00 C ATOM 0 H VAL A 108 3.497 3.739 2.902 1.00 0.00 H new ATOM 0 HA VAL A 108 1.631 4.865 1.130 1.00 0.00 H new ATOM 0 HB VAL A 108 2.072 4.969 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.155 5.921 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.954 7.029 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.252 6.103 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.122 3.409 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.094 3.552 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.480 2.782 3.065 1.00 0.00 H new ATOM 805 N ASN A 109 3.810 6.908 2.566 1.00 0.00 N ATOM 806 CA ASN A 109 4.315 8.257 2.516 1.00 0.00 C ATOM 807 C ASN A 109 4.866 8.555 1.157 1.00 0.00 C ATOM 808 O ASN A 109 4.720 9.671 0.666 1.00 0.00 O ATOM 809 CB ASN A 109 5.484 8.533 3.485 1.00 0.00 C ATOM 810 CG ASN A 109 5.050 8.405 4.947 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.811 7.895 5.779 1.00 0.00 O ATOM 812 ND2 ASN A 109 3.814 8.897 5.261 1.00 0.00 N ATOM 0 H ASN A 109 4.334 6.285 3.181 1.00 0.00 H new ATOM 0 HA ASN A 109 3.458 8.874 2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.296 7.834 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.875 9.535 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.477 8.854 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 109 3.228 9.307 4.533 1.00 0.00 H new ATOM 819 N LYS A 110 5.513 7.554 0.528 1.00 0.00 N ATOM 820 CA LYS A 110 6.179 7.710 -0.734 1.00 0.00 C ATOM 821 C LYS A 110 5.176 7.904 -1.828 1.00 0.00 C ATOM 822 O LYS A 110 5.450 8.619 -2.785 1.00 0.00 O ATOM 823 CB LYS A 110 7.039 6.470 -1.068 1.00 0.00 C ATOM 824 CG LYS A 110 7.796 6.547 -2.402 1.00 0.00 C ATOM 825 CD LYS A 110 8.710 5.336 -2.635 1.00 0.00 C ATOM 826 CE LYS A 110 9.329 5.322 -4.035 1.00 0.00 C ATOM 827 NZ LYS A 110 10.138 4.101 -4.226 1.00 0.00 N ATOM 0 H LYS A 110 5.575 6.609 0.907 1.00 0.00 H new ATOM 0 HA LYS A 110 6.825 8.584 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.761 6.320 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.393 5.592 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.078 6.618 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.394 7.458 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.506 5.339 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.138 4.420 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.542 5.367 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.953 6.205 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.552 4.105 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.900 4.075 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.533 3.263 -4.114 1.00 0.00 H new ATOM 841 N VAL A 111 3.997 7.264 -1.714 1.00 0.00 N ATOM 842 CA VAL A 111 2.970 7.266 -2.722 1.00 0.00 C ATOM 843 C VAL A 111 2.098 8.439 -2.550 1.00 0.00 C ATOM 844 O VAL A 111 1.477 8.867 -3.513 1.00 0.00 O ATOM 845 CB VAL A 111 2.163 5.969 -2.633 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.833 6.020 -3.407 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.046 4.825 -3.162 1.00 0.00 C ATOM 0 H VAL A 111 3.745 6.722 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 111 3.428 7.325 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 111 1.889 5.811 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.313 5.068 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.210 6.820 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.033 6.208 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.495 3.886 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.322 5.027 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.948 4.750 -2.554 1.00 0.00 H new ATOM 857 N LYS A 112 2.052 9.037 -1.355 1.00 0.00 N ATOM 858 CA LYS A 112 1.186 10.163 -1.172 1.00 0.00 C ATOM 859 C LYS A 112 1.968 11.356 -1.564 1.00 0.00 C ATOM 860 O LYS A 112 1.421 12.438 -1.709 1.00 0.00 O ATOM 861 CB LYS A 112 0.654 10.273 0.270 1.00 0.00 C ATOM 862 CG LYS A 112 -0.618 9.429 0.525 1.00 0.00 C ATOM 863 CD LYS A 112 -0.741 8.169 -0.348 1.00 0.00 C ATOM 864 CE LYS A 112 -1.930 7.270 -0.053 1.00 0.00 C ATOM 865 NZ LYS A 112 -1.883 6.156 -1.023 1.00 0.00 N ATOM 0 H LYS A 112 2.592 8.758 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 112 0.293 10.059 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.435 9.957 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.437 11.318 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.635 9.131 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.493 10.057 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.794 8.478 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.170 7.582 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.884 6.893 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.864 7.824 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.850 5.904 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.339 6.447 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.427 5.331 -0.583 1.00 0.00 H new ATOM 879 N GLU A 113 3.269 11.172 -1.806 1.00 0.00 N ATOM 880 CA GLU A 113 4.125 12.225 -2.231 1.00 0.00 C ATOM 881 C GLU A 113 4.335 12.090 -3.689 1.00 0.00 C ATOM 882 O GLU A 113 4.557 13.058 -4.405 1.00 0.00 O ATOM 883 CB GLU A 113 5.483 11.986 -1.600 1.00 0.00 C ATOM 884 CG GLU A 113 6.526 13.049 -1.930 1.00 0.00 C ATOM 885 CD GLU A 113 7.763 12.785 -1.088 1.00 0.00 C ATOM 886 OE1 GLU A 113 7.650 12.835 0.166 1.00 0.00 O ATOM 887 OE2 GLU A 113 8.842 12.527 -1.687 1.00 0.00 O ATOM 0 H GLU A 113 3.738 10.272 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 113 3.699 13.193 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.364 11.935 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.856 11.015 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 113 6.776 13.019 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.132 14.044 -1.723 1.00 0.00 H new ATOM 894 N ALA A 114 4.278 10.839 -4.153 1.00 0.00 N ATOM 895 CA ALA A 114 4.489 10.542 -5.552 1.00 0.00 C ATOM 896 C ALA A 114 3.253 10.914 -6.294 1.00 0.00 C ATOM 897 O ALA A 114 3.296 11.295 -7.462 1.00 0.00 O ATOM 898 CB ALA A 114 4.723 9.059 -5.861 1.00 0.00 C ATOM 0 H ALA A 114 4.087 10.023 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 114 5.381 11.097 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.872 8.930 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.608 8.711 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.856 8.480 -5.542 1.00 0.00 H new ATOM 904 N LEU A 115 2.121 10.819 -5.583 1.00 0.00 N ATOM 905 CA LEU A 115 0.821 11.190 -6.054 1.00 0.00 C ATOM 906 C LEU A 115 0.754 12.653 -5.862 1.00 0.00 C ATOM 907 O LEU A 115 0.137 13.361 -6.658 1.00 0.00 O ATOM 908 CB LEU A 115 -0.298 10.460 -5.302 1.00 0.00 C ATOM 909 CG LEU A 115 -1.698 10.869 -5.766 1.00 0.00 C ATOM 910 CD1 LEU A 115 -1.974 10.588 -7.256 1.00 0.00 C ATOM 911 CD2 LEU A 115 -2.774 10.194 -4.899 1.00 0.00 C ATOM 0 H LEU A 115 2.108 10.464 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 115 0.675 10.910 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.177 9.385 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.202 10.661 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.742 11.951 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.986 10.906 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.260 11.138 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.871 9.520 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.762 10.497 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.678 9.111 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.645 10.495 -3.859 1.00 0.00 H new ATOM 923 N GLN A 116 1.432 13.108 -4.794 1.00 0.00 N ATOM 924 CA GLN A 116 1.418 14.499 -4.385 1.00 0.00 C ATOM 925 C GLN A 116 0.018 14.861 -3.992 1.00 0.00 C ATOM 926 O GLN A 116 -0.490 15.921 -4.356 1.00 0.00 O ATOM 927 CB GLN A 116 1.872 15.577 -5.414 1.00 0.00 C ATOM 928 CG GLN A 116 3.322 15.506 -5.913 1.00 0.00 C ATOM 929 CD GLN A 116 4.295 16.001 -4.837 1.00 0.00 C ATOM 930 OE1 GLN A 116 3.911 16.429 -3.742 1.00 0.00 O ATOM 931 NE2 GLN A 116 5.617 15.934 -5.186 1.00 0.00 N ATOM 0 H GLN A 116 2.003 12.509 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 116 2.160 14.529 -3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.213 15.515 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 116 1.717 16.558 -4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.567 14.480 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.431 16.110 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.885 15.573 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.334 16.245 -4.530 1.00 0.00 H new ATOM 940 N VAL A 117 -0.628 13.980 -3.203 1.00 0.00 N ATOM 941 CA VAL A 117 -1.877 14.288 -2.572 1.00 0.00 C ATOM 942 C VAL A 117 -1.479 14.761 -1.209 1.00 0.00 C ATOM 943 O VAL A 117 -2.302 15.260 -0.444 1.00 0.00 O ATOM 944 CB VAL A 117 -2.821 13.099 -2.520 1.00 0.00 C ATOM 945 CG1 VAL A 117 -2.310 12.019 -1.549 1.00 0.00 C ATOM 946 CG2 VAL A 117 -4.257 13.564 -2.205 1.00 0.00 C ATOM 0 H VAL A 117 -0.280 13.043 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.444 15.036 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.848 12.629 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.008 11.182 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.331 11.669 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.228 12.440 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.920 12.700 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.272 14.071 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.595 14.251 -2.981 1.00 0.00 H new ATOM 956 N GLN A 118 -0.165 14.626 -0.904 1.00 0.00 N ATOM 957 CA GLN A 118 0.385 15.058 0.353 1.00 0.00 C ATOM 958 C GLN A 118 0.100 16.545 0.582 1.00 0.00 C ATOM 959 O GLN A 118 0.062 17.318 -0.412 1.00 0.00 O ATOM 960 CB GLN A 118 1.903 14.842 0.531 1.00 0.00 C ATOM 961 CG GLN A 118 2.785 15.607 -0.462 1.00 0.00 C ATOM 962 CD GLN A 118 4.246 15.411 -0.055 1.00 0.00 C ATOM 963 OE1 GLN A 118 4.591 14.483 0.685 1.00 0.00 O ATOM 964 NE2 GLN A 118 5.119 16.333 -0.564 1.00 0.00 N ATOM 965 OXT GLN A 118 -0.088 16.922 1.770 1.00 0.00 O ATOM 0 H GLN A 118 0.520 14.213 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.113 14.421 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.181 15.137 1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.117 13.777 0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.621 15.242 -1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.529 16.666 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.777 17.078 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 118 6.112 16.275 -0.337 1.00 0.00 H new TER 974 GLN A 118