USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 73 TYR OH : rot 180:sc= 0.0839 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -142:sc= 0.132 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.78 K(o=-0.78,f=-4.8!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 SER OG : rot 81:sc= 0.0773 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.361 K(o=0.36,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= 0.787 (180deg=-1.08) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 1.02 (180deg=0.927) USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.21 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.22) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.17) USER MOD Single : A 100 SER OG : rot 72:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 45.865 4.938 12.914 1.00 0.00 N ATOM 22 CA ALA A 2 46.146 6.286 12.403 1.00 0.00 C ATOM 23 C ALA A 2 45.956 6.382 10.896 1.00 0.00 C ATOM 24 O ALA A 2 45.419 7.370 10.397 1.00 0.00 O ATOM 25 CB ALA A 2 47.544 6.719 12.794 1.00 0.00 C ATOM 0 HA ALA A 2 45.424 6.963 12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 2 47.736 7.720 12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 2 47.632 6.726 13.880 1.00 0.00 H new ATOM 0 HB3 ALA A 2 48.271 6.023 12.376 1.00 0.00 H new ATOM 31 N ASP A 3 46.376 5.346 10.189 1.00 0.00 N ATOM 32 CA ASP A 3 46.216 5.257 8.732 1.00 0.00 C ATOM 33 C ASP A 3 44.745 5.296 8.342 1.00 0.00 C ATOM 34 O ASP A 3 44.334 6.057 7.450 1.00 0.00 O ATOM 35 CB ASP A 3 46.838 3.959 8.203 1.00 0.00 C ATOM 36 CG ASP A 3 46.609 3.772 6.720 1.00 0.00 C ATOM 37 OD1 ASP A 3 47.370 4.343 5.916 1.00 0.00 O ATOM 38 OD2 ASP A 3 45.664 3.054 6.326 1.00 0.00 O ATOM 0 H ASP A 3 46.840 4.537 10.602 1.00 0.00 H new ATOM 0 HA ASP A 3 46.725 6.114 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 3 47.909 3.964 8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 3 46.416 3.111 8.743 1.00 0.00 H new ATOM 43 N GLU A 4 43.963 4.509 9.043 1.00 0.00 N ATOM 44 CA GLU A 4 42.548 4.385 8.792 1.00 0.00 C ATOM 45 C GLU A 4 41.860 5.702 9.132 1.00 0.00 C ATOM 46 O GLU A 4 41.125 6.252 8.309 1.00 0.00 O ATOM 47 CB GLU A 4 41.997 3.188 9.607 1.00 0.00 C ATOM 48 CG GLU A 4 40.516 2.822 9.413 1.00 0.00 C ATOM 49 CD GLU A 4 39.549 3.788 10.062 1.00 0.00 C ATOM 50 OE1 GLU A 4 39.566 3.915 11.312 1.00 0.00 O ATOM 51 OE2 GLU A 4 38.739 4.404 9.345 1.00 0.00 O ATOM 0 H GLU A 4 44.297 3.930 9.813 1.00 0.00 H new ATOM 0 HA GLU A 4 42.350 4.183 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 4 42.596 2.310 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 4 42.156 3.399 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 4 40.302 2.773 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 4 40.343 1.825 9.818 1.00 0.00 H new ATOM 58 N GLU A 5 42.154 6.229 10.317 1.00 0.00 N ATOM 59 CA GLU A 5 41.587 7.491 10.778 1.00 0.00 C ATOM 60 C GLU A 5 41.909 8.628 9.823 1.00 0.00 C ATOM 61 O GLU A 5 41.081 9.503 9.602 1.00 0.00 O ATOM 62 CB GLU A 5 42.067 7.849 12.188 1.00 0.00 C ATOM 63 CG GLU A 5 41.538 6.951 13.297 1.00 0.00 C ATOM 64 CD GLU A 5 42.030 7.381 14.662 1.00 0.00 C ATOM 65 OE1 GLU A 5 41.767 8.545 15.076 1.00 0.00 O ATOM 66 OE2 GLU A 5 42.719 6.598 15.335 1.00 0.00 O ATOM 0 H GLU A 5 42.791 5.793 10.984 1.00 0.00 H new ATOM 0 HA GLU A 5 40.506 7.353 10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 5 43.156 7.816 12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 5 41.776 8.877 12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 5 40.448 6.964 13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 5 41.847 5.923 13.108 1.00 0.00 H new ATOM 73 N LEU A 6 43.100 8.590 9.242 1.00 0.00 N ATOM 74 CA LEU A 6 43.539 9.608 8.310 1.00 0.00 C ATOM 75 C LEU A 6 42.669 9.557 7.048 1.00 0.00 C ATOM 76 O LEU A 6 42.170 10.587 6.587 1.00 0.00 O ATOM 77 CB LEU A 6 45.051 9.413 7.991 1.00 0.00 C ATOM 78 CG LEU A 6 45.829 10.561 7.282 1.00 0.00 C ATOM 79 CD1 LEU A 6 45.401 10.769 5.838 1.00 0.00 C ATOM 80 CD2 LEU A 6 45.705 11.858 8.068 1.00 0.00 C ATOM 0 H LEU A 6 43.785 7.852 9.406 1.00 0.00 H new ATOM 0 HA LEU A 6 43.424 10.598 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 6 45.561 9.202 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 6 45.144 8.521 7.371 1.00 0.00 H new ATOM 0 HG LEU A 6 46.875 10.255 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 6 45.980 11.582 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 6 45.575 9.854 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 6 44.341 11.020 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 6 46.255 12.648 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 6 44.654 12.138 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 6 46.116 11.718 9.068 1.00 0.00 H new ATOM 92 N GLU A 7 42.442 8.359 6.517 1.00 0.00 N ATOM 93 CA GLU A 7 41.637 8.238 5.324 1.00 0.00 C ATOM 94 C GLU A 7 40.173 8.522 5.643 1.00 0.00 C ATOM 95 O GLU A 7 39.473 9.117 4.845 1.00 0.00 O ATOM 96 CB GLU A 7 41.797 6.880 4.638 1.00 0.00 C ATOM 97 CG GLU A 7 41.069 6.802 3.298 1.00 0.00 C ATOM 98 CD GLU A 7 41.306 5.519 2.551 1.00 0.00 C ATOM 99 OE1 GLU A 7 40.654 4.502 2.868 1.00 0.00 O ATOM 100 OE2 GLU A 7 42.118 5.508 1.606 1.00 0.00 O ATOM 0 H GLU A 7 42.799 7.480 6.891 1.00 0.00 H new ATOM 0 HA GLU A 7 41.997 8.984 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 7 42.857 6.680 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 7 41.419 6.099 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 7 39.999 6.919 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 7 41.385 7.638 2.674 1.00 0.00 H new ATOM 107 N ALA A 8 39.733 8.122 6.830 1.00 0.00 N ATOM 108 CA ALA A 8 38.366 8.378 7.274 1.00 0.00 C ATOM 109 C ALA A 8 38.124 9.879 7.385 1.00 0.00 C ATOM 110 O ALA A 8 37.069 10.378 7.003 1.00 0.00 O ATOM 111 CB ALA A 8 38.096 7.693 8.601 1.00 0.00 C ATOM 0 H ALA A 8 40.305 7.616 7.506 1.00 0.00 H new ATOM 0 HA ALA A 8 37.677 7.967 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 8 37.072 7.897 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 8 38.235 6.618 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 38.787 8.072 9.354 1.00 0.00 H new ATOM 117 N LEU A 9 39.137 10.585 7.864 1.00 0.00 N ATOM 118 CA LEU A 9 39.115 12.034 7.972 1.00 0.00 C ATOM 119 C LEU A 9 38.970 12.634 6.568 1.00 0.00 C ATOM 120 O LEU A 9 38.128 13.508 6.337 1.00 0.00 O ATOM 121 CB LEU A 9 40.418 12.498 8.697 1.00 0.00 C ATOM 122 CG LEU A 9 40.623 13.999 9.008 1.00 0.00 C ATOM 123 CD1 LEU A 9 41.732 14.155 10.037 1.00 0.00 C ATOM 124 CD2 LEU A 9 41.010 14.778 7.759 1.00 0.00 C ATOM 0 H LEU A 9 40.006 10.163 8.192 1.00 0.00 H new ATOM 0 HA LEU A 9 38.267 12.381 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.476 11.958 9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 9 41.263 12.172 8.091 1.00 0.00 H new ATOM 0 HG LEU A 9 39.681 14.393 9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 9 41.878 15.212 10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 9 41.457 13.628 10.951 1.00 0.00 H new ATOM 0 HD13 LEU A 9 42.657 13.736 9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 9 41.146 15.829 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 9 41.940 14.379 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 9 40.221 14.685 7.013 1.00 0.00 H new ATOM 136 N ARG A 10 39.763 12.121 5.636 1.00 0.00 N ATOM 137 CA ARG A 10 39.727 12.556 4.246 1.00 0.00 C ATOM 138 C ARG A 10 38.353 12.305 3.631 1.00 0.00 C ATOM 139 O ARG A 10 37.804 13.169 2.958 1.00 0.00 O ATOM 140 CB ARG A 10 40.807 11.831 3.443 1.00 0.00 C ATOM 141 CG ARG A 10 40.824 12.152 1.954 1.00 0.00 C ATOM 142 CD ARG A 10 41.988 11.461 1.281 1.00 0.00 C ATOM 143 NE ARG A 10 43.256 11.925 1.835 1.00 0.00 N ATOM 144 CZ ARG A 10 44.352 11.192 2.002 1.00 0.00 C ATOM 145 NH1 ARG A 10 44.382 9.920 1.610 1.00 0.00 N ATOM 146 NH2 ARG A 10 45.417 11.738 2.567 1.00 0.00 N ATOM 0 H ARG A 10 40.450 11.391 5.823 1.00 0.00 H new ATOM 0 HA ARG A 10 39.920 13.628 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 10 41.781 12.080 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 10 40.671 10.757 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 10 39.888 11.832 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 10 40.899 13.230 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 10 41.902 10.382 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 10 41.962 11.655 0.209 1.00 0.00 H new ATOM 0 HE ARG A 10 43.306 12.903 2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 10 43.559 9.500 1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 10 45.228 9.365 1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 10 45.391 12.712 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 10 46.264 11.185 2.700 1.00 0.00 H new ATOM 160 N ARG A 11 37.801 11.126 3.892 1.00 0.00 N ATOM 161 CA ARG A 11 36.482 10.742 3.381 1.00 0.00 C ATOM 162 C ARG A 11 35.419 11.691 3.896 1.00 0.00 C ATOM 163 O ARG A 11 34.533 12.107 3.141 1.00 0.00 O ATOM 164 CB ARG A 11 36.125 9.307 3.781 1.00 0.00 C ATOM 165 CG ARG A 11 37.049 8.231 3.229 1.00 0.00 C ATOM 166 CD ARG A 11 36.683 6.875 3.803 1.00 0.00 C ATOM 167 NE ARG A 11 37.571 5.795 3.355 1.00 0.00 N ATOM 168 CZ ARG A 11 37.237 4.493 3.345 1.00 0.00 C ATOM 169 NH1 ARG A 11 36.019 4.112 3.725 1.00 0.00 N ATOM 170 NH2 ARG A 11 38.135 3.585 2.993 1.00 0.00 N ATOM 0 H ARG A 11 38.250 10.408 4.461 1.00 0.00 H new ATOM 0 HA ARG A 11 36.522 10.797 2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 11 36.124 9.240 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 11 35.109 9.096 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 11 36.978 8.204 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.084 8.470 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 11 36.710 6.930 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 11 35.658 6.634 3.521 1.00 0.00 H new ATOM 0 HE ARG A 11 38.504 6.050 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 11 35.337 4.809 4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 11 35.768 3.123 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 11 39.077 3.875 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 11 37.884 2.596 2.985 1.00 0.00 H new ATOM 184 N GLN A 12 35.520 12.038 5.171 1.00 0.00 N ATOM 185 CA GLN A 12 34.597 12.973 5.785 1.00 0.00 C ATOM 186 C GLN A 12 34.726 14.339 5.133 1.00 0.00 C ATOM 187 O GLN A 12 33.733 14.914 4.692 1.00 0.00 O ATOM 188 CB GLN A 12 34.843 13.075 7.287 1.00 0.00 C ATOM 189 CG GLN A 12 33.904 14.035 7.996 1.00 0.00 C ATOM 190 CD GLN A 12 34.140 14.072 9.479 1.00 0.00 C ATOM 191 OE1 GLN A 12 34.951 14.857 9.975 1.00 0.00 O ATOM 192 NE2 GLN A 12 33.432 13.263 10.210 1.00 0.00 N ATOM 0 H GLN A 12 36.238 11.682 5.802 1.00 0.00 H new ATOM 0 HA GLN A 12 33.583 12.604 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 12 34.739 12.085 7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 12 35.871 13.395 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 12 34.033 15.036 7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 12 32.873 13.741 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.769 12.625 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 12 33.539 13.266 11.224 1.00 0.00 H new ATOM 201 N ARG A 13 35.958 14.826 5.029 1.00 0.00 N ATOM 202 CA ARG A 13 36.229 16.120 4.413 1.00 0.00 C ATOM 203 C ARG A 13 35.720 16.178 2.976 1.00 0.00 C ATOM 204 O ARG A 13 35.129 17.186 2.558 1.00 0.00 O ATOM 205 CB ARG A 13 37.723 16.482 4.473 1.00 0.00 C ATOM 206 CG ARG A 13 38.235 16.869 5.859 1.00 0.00 C ATOM 207 CD ARG A 13 37.487 18.085 6.384 1.00 0.00 C ATOM 208 NE ARG A 13 38.047 18.635 7.608 1.00 0.00 N ATOM 209 CZ ARG A 13 37.364 19.378 8.495 1.00 0.00 C ATOM 210 NH1 ARG A 13 36.033 19.522 8.391 1.00 0.00 N ATOM 211 NH2 ARG A 13 38.007 19.952 9.499 1.00 0.00 N ATOM 0 H ARG A 13 36.789 14.340 5.366 1.00 0.00 H new ATOM 0 HA ARG A 13 35.683 16.863 4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 13 38.303 15.633 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 13 37.909 17.310 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 13 38.109 16.032 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 13 39.303 17.084 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.486 18.859 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.447 17.811 6.562 1.00 0.00 H new ATOM 0 HE ARG A 13 39.029 18.443 7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.528 19.064 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.527 20.089 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 13 39.015 19.829 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 13 37.495 20.517 10.176 1.00 0.00 H new ATOM 225 N LEU A 14 35.916 15.089 2.254 1.00 0.00 N ATOM 226 CA LEU A 14 35.488 14.961 0.870 1.00 0.00 C ATOM 227 C LEU A 14 33.952 15.043 0.814 1.00 0.00 C ATOM 228 O LEU A 14 33.383 15.766 -0.011 1.00 0.00 O ATOM 229 CB LEU A 14 36.012 13.601 0.318 1.00 0.00 C ATOM 230 CG LEU A 14 36.067 13.365 -1.217 1.00 0.00 C ATOM 231 CD1 LEU A 14 34.700 13.333 -1.872 1.00 0.00 C ATOM 232 CD2 LEU A 14 36.956 14.393 -1.883 1.00 0.00 C ATOM 0 H LEU A 14 36.383 14.257 2.616 1.00 0.00 H new ATOM 0 HA LEU A 14 35.892 15.764 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 14 37.021 13.458 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 14 35.391 12.814 0.747 1.00 0.00 H new ATOM 0 HG LEU A 14 36.495 12.373 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.814 13.165 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 14 34.108 12.527 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.195 14.284 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 36.981 14.211 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.562 15.392 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 14 37.965 14.318 -1.478 1.00 0.00 H new ATOM 656 N ILE A 43 1.194 -1.888 -0.963 1.00 0.00 N ATOM 657 CA ILE A 43 0.631 -3.203 -0.706 1.00 0.00 C ATOM 658 C ILE A 43 -0.534 -3.497 -1.638 1.00 0.00 C ATOM 659 O ILE A 43 -0.670 -4.605 -2.141 1.00 0.00 O ATOM 660 CB ILE A 43 0.255 -3.429 0.785 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.638 -2.295 1.317 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.515 -3.587 1.630 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.013 -2.428 2.774 1.00 0.00 C ATOM 0 HA ILE A 43 1.420 -3.923 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.322 -4.351 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.123 -1.345 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.550 -2.257 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.237 -3.745 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.087 -4.444 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.123 -2.686 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.643 -1.587 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.558 -3.360 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.109 -2.433 3.383 1.00 0.00 H new ATOM 675 N LEU A 44 -1.321 -2.479 -1.909 1.00 0.00 N ATOM 676 CA LEU A 44 -2.462 -2.590 -2.793 1.00 0.00 C ATOM 677 C LEU A 44 -2.017 -2.858 -4.232 1.00 0.00 C ATOM 678 O LEU A 44 -2.431 -3.824 -4.836 1.00 0.00 O ATOM 679 CB LEU A 44 -3.293 -1.308 -2.731 1.00 0.00 C ATOM 680 CG LEU A 44 -3.865 -0.956 -1.360 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.565 0.381 -1.402 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.817 -2.034 -0.890 1.00 0.00 C ATOM 0 H LEU A 44 -1.187 -1.545 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.071 -3.432 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.673 -0.478 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.119 -1.398 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.039 -0.890 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.965 0.613 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.855 1.154 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.380 0.342 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.215 -1.766 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.637 -2.130 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.285 -2.983 -0.818 1.00 0.00 H new ATOM 694 N ALA A 45 -1.146 -2.015 -4.740 1.00 0.00 N ATOM 695 CA ALA A 45 -0.662 -2.095 -6.115 1.00 0.00 C ATOM 696 C ALA A 45 0.239 -3.309 -6.373 1.00 0.00 C ATOM 697 O ALA A 45 0.506 -3.647 -7.528 1.00 0.00 O ATOM 698 CB ALA A 45 0.046 -0.805 -6.507 1.00 0.00 C ATOM 0 H ALA A 45 -0.744 -1.242 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.541 -2.230 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.400 -0.882 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.649 0.031 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.894 -0.639 -5.843 1.00 0.00 H new ATOM 704 N GLN A 46 0.780 -3.905 -5.324 1.00 0.00 N ATOM 705 CA GLN A 46 1.586 -5.108 -5.497 1.00 0.00 C ATOM 706 C GLN A 46 0.699 -6.340 -5.576 1.00 0.00 C ATOM 707 O GLN A 46 0.973 -7.262 -6.356 1.00 0.00 O ATOM 708 CB GLN A 46 2.618 -5.287 -4.378 1.00 0.00 C ATOM 709 CG GLN A 46 3.695 -4.208 -4.285 1.00 0.00 C ATOM 710 CD GLN A 46 4.665 -4.156 -5.449 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.347 -4.503 -6.589 1.00 0.00 O ATOM 712 NE2 GLN A 46 5.847 -3.688 -5.177 1.00 0.00 N ATOM 0 H GLN A 46 0.681 -3.586 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 46 2.130 -4.988 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.089 -5.328 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.108 -6.251 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.207 -3.238 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.263 -4.363 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.078 -3.410 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.543 -3.599 -5.917 1.00 0.00 H new ATOM 721 N VAL A 47 -0.358 -6.374 -4.770 1.00 0.00 N ATOM 722 CA VAL A 47 -1.246 -7.522 -4.782 1.00 0.00 C ATOM 723 C VAL A 47 -2.284 -7.411 -5.878 1.00 0.00 C ATOM 724 O VAL A 47 -2.628 -8.392 -6.493 1.00 0.00 O ATOM 725 CB VAL A 47 -1.909 -7.842 -3.402 1.00 0.00 C ATOM 726 CG1 VAL A 47 -0.852 -8.126 -2.347 1.00 0.00 C ATOM 727 CG2 VAL A 47 -2.851 -6.735 -2.936 1.00 0.00 C ATOM 0 H VAL A 47 -0.614 -5.635 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.602 -8.375 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.514 -8.738 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.337 -8.346 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.252 -8.982 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.208 -7.254 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.284 -7.007 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.295 -5.803 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.648 -6.603 -3.668 1.00 0.00 H new ATOM 737 N LEU A 48 -2.771 -6.230 -6.132 1.00 0.00 N ATOM 738 CA LEU A 48 -3.712 -6.047 -7.198 1.00 0.00 C ATOM 739 C LEU A 48 -2.974 -6.028 -8.492 1.00 0.00 C ATOM 740 O LEU A 48 -1.970 -5.331 -8.630 1.00 0.00 O ATOM 741 CB LEU A 48 -4.493 -4.735 -7.060 1.00 0.00 C ATOM 742 CG LEU A 48 -5.372 -4.582 -5.814 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.001 -3.205 -5.770 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.446 -5.641 -5.779 1.00 0.00 C ATOM 0 H LEU A 48 -2.533 -5.382 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.426 -6.870 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.779 -3.911 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.128 -4.623 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.735 -4.706 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.621 -3.117 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.217 -2.448 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.618 -3.058 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.056 -5.511 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.075 -5.550 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.983 -6.628 -5.762 1.00 0.00 H new ATOM 756 N ASP A 49 -3.429 -6.812 -9.424 1.00 0.00 N ATOM 757 CA ASP A 49 -2.871 -6.774 -10.741 1.00 0.00 C ATOM 758 C ASP A 49 -3.214 -5.436 -11.358 1.00 0.00 C ATOM 759 O ASP A 49 -4.188 -4.791 -10.944 1.00 0.00 O ATOM 760 CB ASP A 49 -3.430 -7.911 -11.612 1.00 0.00 C ATOM 761 CG ASP A 49 -2.905 -7.855 -13.035 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.760 -8.267 -13.284 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.636 -7.371 -13.932 1.00 0.00 O ATOM 0 H ASP A 49 -4.185 -7.485 -9.296 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.790 -6.904 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.166 -8.870 -11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.518 -7.854 -11.626 1.00 0.00 H new ATOM 768 N GLN A 50 -2.431 -5.027 -12.323 1.00 0.00 N ATOM 769 CA GLN A 50 -2.629 -3.780 -13.058 1.00 0.00 C ATOM 770 C GLN A 50 -4.086 -3.638 -13.541 1.00 0.00 C ATOM 771 O GLN A 50 -4.675 -2.559 -13.458 1.00 0.00 O ATOM 772 CB GLN A 50 -1.685 -3.755 -14.255 1.00 0.00 C ATOM 773 CG GLN A 50 -1.828 -2.548 -15.156 1.00 0.00 C ATOM 774 CD GLN A 50 -0.958 -2.652 -16.380 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.123 -3.253 -16.350 1.00 0.00 O ATOM 776 NE2 GLN A 50 -1.417 -2.103 -17.465 1.00 0.00 N ATOM 0 H GLN A 50 -1.616 -5.556 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.416 -2.945 -12.391 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.659 -3.798 -13.890 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.851 -4.654 -14.848 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.870 -2.443 -15.459 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.566 -1.648 -14.600 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.313 -1.616 -17.450 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.881 -2.159 -18.331 1.00 0.00 H new ATOM 785 N SER A 51 -4.683 -4.745 -13.956 1.00 0.00 N ATOM 786 CA SER A 51 -6.030 -4.712 -14.477 1.00 0.00 C ATOM 787 C SER A 51 -7.035 -4.527 -13.335 1.00 0.00 C ATOM 788 O SER A 51 -8.043 -3.836 -13.483 1.00 0.00 O ATOM 789 CB SER A 51 -6.318 -5.983 -15.271 1.00 0.00 C ATOM 790 OG SER A 51 -5.309 -6.188 -16.265 1.00 0.00 O ATOM 0 H SER A 51 -4.254 -5.670 -13.940 1.00 0.00 H new ATOM 0 HA SER A 51 -6.131 -3.863 -15.153 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.354 -6.840 -14.598 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.296 -5.909 -15.746 1.00 0.00 H new ATOM 0 HG SER A 51 -4.521 -6.598 -15.851 1.00 0.00 H new ATOM 796 N ALA A 52 -6.718 -5.093 -12.184 1.00 0.00 N ATOM 797 CA ALA A 52 -7.574 -4.997 -11.019 1.00 0.00 C ATOM 798 C ALA A 52 -7.486 -3.606 -10.428 1.00 0.00 C ATOM 799 O ALA A 52 -8.483 -3.045 -9.995 1.00 0.00 O ATOM 800 CB ALA A 52 -7.201 -6.046 -9.986 1.00 0.00 C ATOM 0 H ALA A 52 -5.864 -5.629 -12.033 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.603 -5.183 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.857 -5.954 -9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.310 -7.040 -10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.167 -5.898 -9.674 1.00 0.00 H new ATOM 806 N ARG A 53 -6.288 -3.041 -10.446 1.00 0.00 N ATOM 807 CA ARG A 53 -6.060 -1.700 -9.952 1.00 0.00 C ATOM 808 C ARG A 53 -6.819 -0.718 -10.848 1.00 0.00 C ATOM 809 O ARG A 53 -7.460 0.211 -10.368 1.00 0.00 O ATOM 810 CB ARG A 53 -4.565 -1.392 -9.985 1.00 0.00 C ATOM 811 CG ARG A 53 -4.131 -0.219 -9.111 1.00 0.00 C ATOM 812 CD ARG A 53 -4.306 -0.529 -7.619 1.00 0.00 C ATOM 813 NE ARG A 53 -3.902 0.590 -6.751 1.00 0.00 N ATOM 814 CZ ARG A 53 -4.618 1.063 -5.707 1.00 0.00 C ATOM 815 NH1 ARG A 53 -5.882 0.713 -5.540 1.00 0.00 N ATOM 816 NH2 ARG A 53 -4.073 1.925 -4.867 1.00 0.00 N ATOM 0 H ARG A 53 -5.451 -3.502 -10.804 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.413 -1.610 -8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.019 -2.282 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.274 -1.186 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.087 0.019 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.715 0.664 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.350 -0.775 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.718 -1.411 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.011 1.044 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.328 0.079 -6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.412 1.077 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.111 2.234 -5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.614 2.281 -4.079 1.00 0.00 H new ATOM 830 N ALA A 54 -6.760 -0.967 -12.153 1.00 0.00 N ATOM 831 CA ALA A 54 -7.492 -0.175 -13.137 1.00 0.00 C ATOM 832 C ALA A 54 -9.003 -0.292 -12.907 1.00 0.00 C ATOM 833 O ALA A 54 -9.714 0.711 -12.906 1.00 0.00 O ATOM 834 CB ALA A 54 -7.129 -0.597 -14.553 1.00 0.00 C ATOM 0 H ALA A 54 -6.205 -1.721 -12.558 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.206 0.869 -13.013 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.688 0.008 -15.267 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.060 -0.453 -14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.379 -1.649 -14.695 1.00 0.00 H new ATOM 840 N ARG A 55 -9.482 -1.524 -12.693 1.00 0.00 N ATOM 841 CA ARG A 55 -10.872 -1.790 -12.397 1.00 0.00 C ATOM 842 C ARG A 55 -11.300 -1.032 -11.145 1.00 0.00 C ATOM 843 O ARG A 55 -12.391 -0.489 -11.076 1.00 0.00 O ATOM 844 CB ARG A 55 -11.060 -3.284 -12.155 1.00 0.00 C ATOM 845 CG ARG A 55 -12.505 -3.738 -12.044 1.00 0.00 C ATOM 846 CD ARG A 55 -13.199 -3.801 -13.404 1.00 0.00 C ATOM 847 NE ARG A 55 -13.400 -2.489 -14.065 1.00 0.00 N ATOM 848 CZ ARG A 55 -12.854 -2.144 -15.247 1.00 0.00 C ATOM 849 NH1 ARG A 55 -11.919 -2.902 -15.791 1.00 0.00 N ATOM 850 NH2 ARG A 55 -13.229 -1.030 -15.859 1.00 0.00 N ATOM 0 H ARG A 55 -8.901 -2.362 -12.723 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.479 -1.465 -13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.584 -3.832 -12.969 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.537 -3.557 -11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.540 -4.721 -11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.049 -3.055 -11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.612 -4.438 -14.066 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.170 -4.280 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.990 -1.803 -13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.610 -3.750 -15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.506 -2.639 -16.686 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.935 -0.428 -15.435 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.812 -0.774 -16.754 1.00 0.00 H new ATOM 864 N LEU A 56 -10.428 -0.983 -10.181 1.00 0.00 N ATOM 865 CA LEU A 56 -10.714 -0.319 -8.941 1.00 0.00 C ATOM 866 C LEU A 56 -10.735 1.201 -9.119 1.00 0.00 C ATOM 867 O LEU A 56 -11.583 1.891 -8.542 1.00 0.00 O ATOM 868 CB LEU A 56 -9.722 -0.752 -7.869 1.00 0.00 C ATOM 869 CG LEU A 56 -9.994 -0.229 -6.473 1.00 0.00 C ATOM 870 CD1 LEU A 56 -11.414 -0.565 -6.068 1.00 0.00 C ATOM 871 CD2 LEU A 56 -9.012 -0.833 -5.491 1.00 0.00 C ATOM 0 H LEU A 56 -9.499 -1.401 -10.231 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.711 -0.612 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.707 -1.841 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.725 -0.429 -8.170 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.871 0.854 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.605 -0.187 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.111 -0.104 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.550 -1.646 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.216 -0.451 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.116 -1.918 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.996 -0.566 -5.781 1.00 0.00 H new ATOM 883 N SER A 57 -9.839 1.703 -9.948 1.00 0.00 N ATOM 884 CA SER A 57 -9.777 3.120 -10.271 1.00 0.00 C ATOM 885 C SER A 57 -11.061 3.514 -11.054 1.00 0.00 C ATOM 886 O SER A 57 -11.511 4.666 -11.037 1.00 0.00 O ATOM 887 CB SER A 57 -8.498 3.390 -11.090 1.00 0.00 C ATOM 888 OG SER A 57 -8.240 4.772 -11.242 1.00 0.00 O ATOM 0 H SER A 57 -9.131 1.140 -10.419 1.00 0.00 H new ATOM 0 HA SER A 57 -9.733 3.727 -9.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.648 2.916 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.595 2.930 -12.074 1.00 0.00 H new ATOM 0 HG SER A 57 -7.421 4.896 -11.765 1.00 0.00 H new ATOM 894 N ASN A 58 -11.632 2.536 -11.732 1.00 0.00 N ATOM 895 CA ASN A 58 -12.906 2.679 -12.424 1.00 0.00 C ATOM 896 C ASN A 58 -14.026 2.824 -11.395 1.00 0.00 C ATOM 897 O ASN A 58 -14.799 3.784 -11.433 1.00 0.00 O ATOM 898 CB ASN A 58 -13.147 1.442 -13.285 1.00 0.00 C ATOM 899 CG ASN A 58 -14.465 1.425 -14.043 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.031 0.354 -14.258 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.931 2.555 -14.496 1.00 0.00 N ATOM 0 H ASN A 58 -11.221 1.607 -11.821 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.888 3.564 -13.060 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.332 1.355 -14.004 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.103 0.560 -12.646 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.789 2.569 -15.047 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.437 3.426 -14.300 1.00 0.00 H new ATOM 908 N LEU A 59 -14.072 1.885 -10.448 1.00 0.00 N ATOM 909 CA LEU A 59 -15.072 1.885 -9.377 1.00 0.00 C ATOM 910 C LEU A 59 -14.994 3.143 -8.520 1.00 0.00 C ATOM 911 O LEU A 59 -16.011 3.629 -8.025 1.00 0.00 O ATOM 912 CB LEU A 59 -14.967 0.621 -8.495 1.00 0.00 C ATOM 913 CG LEU A 59 -15.755 -0.636 -8.943 1.00 0.00 C ATOM 914 CD1 LEU A 59 -17.249 -0.364 -8.936 1.00 0.00 C ATOM 915 CD2 LEU A 59 -15.324 -1.134 -10.312 1.00 0.00 C ATOM 0 H LEU A 59 -13.418 1.104 -10.401 1.00 0.00 H new ATOM 0 HA LEU A 59 -16.046 1.876 -9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.914 0.349 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.298 0.884 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.528 -1.422 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.783 -1.259 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.564 -0.091 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.473 0.454 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.907 -2.016 -10.578 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.490 -0.352 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.265 -1.392 -10.289 1.00 0.00 H new ATOM 927 N ALA A 60 -13.794 3.682 -8.394 1.00 0.00 N ATOM 928 CA ALA A 60 -13.531 4.892 -7.619 1.00 0.00 C ATOM 929 C ALA A 60 -14.288 6.098 -8.165 1.00 0.00 C ATOM 930 O ALA A 60 -14.593 7.037 -7.428 1.00 0.00 O ATOM 931 CB ALA A 60 -12.044 5.188 -7.604 1.00 0.00 C ATOM 0 H ALA A 60 -12.960 3.290 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.883 4.710 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.859 6.092 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.511 4.351 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.692 5.334 -8.625 1.00 0.00 H new ATOM 937 N LEU A 61 -14.594 6.077 -9.444 1.00 0.00 N ATOM 938 CA LEU A 61 -15.281 7.188 -10.060 1.00 0.00 C ATOM 939 C LEU A 61 -16.793 7.014 -9.993 1.00 0.00 C ATOM 940 O LEU A 61 -17.546 7.984 -10.122 1.00 0.00 O ATOM 941 CB LEU A 61 -14.825 7.374 -11.510 1.00 0.00 C ATOM 942 CG LEU A 61 -13.338 7.697 -11.727 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.056 7.920 -13.203 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.907 8.913 -10.911 1.00 0.00 C ATOM 0 H LEU A 61 -14.378 5.305 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.023 8.086 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.060 6.463 -12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.416 8.176 -11.953 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.756 6.842 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.999 8.148 -13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.309 7.019 -13.762 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.657 8.753 -13.566 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.850 9.114 -11.088 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.496 9.780 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.066 8.715 -9.851 1.00 0.00 H new ATOM 956 N VAL A 62 -17.250 5.792 -9.784 1.00 0.00 N ATOM 957 CA VAL A 62 -18.674 5.558 -9.711 1.00 0.00 C ATOM 958 C VAL A 62 -19.181 5.518 -8.270 1.00 0.00 C ATOM 959 O VAL A 62 -20.136 6.216 -7.931 1.00 0.00 O ATOM 960 CB VAL A 62 -19.168 4.335 -10.551 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.948 4.598 -12.030 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.462 3.055 -10.158 1.00 0.00 C ATOM 0 H VAL A 62 -16.666 4.964 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.128 6.426 -10.188 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.231 4.209 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.295 3.741 -12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.505 5.486 -12.328 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.886 4.756 -12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.836 2.232 -10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.390 3.167 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.651 2.843 -9.106 1.00 0.00 H new ATOM 972 N LYS A 63 -18.526 4.762 -7.418 1.00 0.00 N ATOM 973 CA LYS A 63 -18.912 4.670 -6.024 1.00 0.00 C ATOM 974 C LYS A 63 -17.699 4.350 -5.150 1.00 0.00 C ATOM 975 O LYS A 63 -17.344 3.178 -4.941 1.00 0.00 O ATOM 976 CB LYS A 63 -20.108 3.691 -5.804 1.00 0.00 C ATOM 977 CG LYS A 63 -19.920 2.283 -6.367 1.00 0.00 C ATOM 978 CD LYS A 63 -21.229 1.459 -6.453 1.00 0.00 C ATOM 979 CE LYS A 63 -21.963 1.252 -5.116 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.775 2.420 -4.687 1.00 0.00 N ATOM 0 H LYS A 63 -17.715 4.196 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.283 5.646 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.298 3.613 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.999 4.127 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.483 2.356 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.205 1.746 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -21.907 1.955 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.997 0.482 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.613 0.381 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.230 1.028 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.410 2.784 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.718 3.166 -5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.766 2.129 -4.567 1.00 0.00 H new ATOM 994 N PRO A 64 -17.044 5.404 -4.613 1.00 0.00 N ATOM 995 CA PRO A 64 -15.789 5.273 -3.856 1.00 0.00 C ATOM 996 C PRO A 64 -15.952 4.545 -2.528 1.00 0.00 C ATOM 997 O PRO A 64 -14.961 4.202 -1.883 1.00 0.00 O ATOM 998 CB PRO A 64 -15.343 6.720 -3.631 1.00 0.00 C ATOM 999 CG PRO A 64 -16.595 7.512 -3.698 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.474 6.822 -4.701 1.00 0.00 C ATOM 0 HA PRO A 64 -15.064 4.670 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.851 6.838 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.631 7.038 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.079 7.558 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.390 8.539 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.530 6.938 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.332 7.224 -5.704 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.207 4.304 -2.130 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.526 3.546 -0.917 1.00 0.00 C ATOM 1010 C GLU A 65 -16.847 2.211 -1.025 1.00 0.00 C ATOM 1011 O GLU A 65 -16.105 1.777 -0.149 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.991 3.191 -0.879 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.965 4.242 -1.278 1.00 0.00 C ATOM 1014 CD GLU A 65 -21.325 3.634 -1.315 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.535 2.695 -2.123 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -22.170 3.987 -0.480 1.00 0.00 O ATOM 0 H GLU A 65 -18.028 4.629 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.229 4.144 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.144 2.328 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.234 2.876 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.939 5.071 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.705 4.649 -2.255 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.098 1.589 -2.170 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.643 0.265 -2.458 1.00 0.00 C ATOM 1025 C LYS A 66 -15.126 0.255 -2.592 1.00 0.00 C ATOM 1026 O LYS A 66 -14.479 -0.691 -2.178 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.313 -0.240 -3.739 1.00 0.00 C ATOM 1028 CG LYS A 66 -18.867 -0.221 -3.755 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.499 -1.240 -2.795 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.754 -0.709 -1.368 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.983 0.139 -1.255 1.00 0.00 N ATOM 0 H LYS A 66 -17.634 2.011 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.915 -0.402 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.955 0.363 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.981 -1.263 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.214 0.778 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.215 -0.423 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.446 -1.578 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.848 -2.112 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.842 -1.554 -0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.890 -0.127 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.169 0.349 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.840 1.029 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.795 -0.371 -1.659 1.00 0.00 H new ATOM 1045 N THR A 67 -14.578 1.337 -3.138 1.00 0.00 N ATOM 1046 CA THR A 67 -13.144 1.496 -3.295 1.00 0.00 C ATOM 1047 C THR A 67 -12.462 1.501 -1.928 1.00 0.00 C ATOM 1048 O THR A 67 -11.539 0.736 -1.687 1.00 0.00 O ATOM 1049 CB THR A 67 -12.847 2.821 -3.998 1.00 0.00 C ATOM 1050 OG1 THR A 67 -13.719 2.943 -5.128 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.397 2.880 -4.474 1.00 0.00 C ATOM 0 H THR A 67 -15.122 2.128 -3.484 1.00 0.00 H new ATOM 0 HA THR A 67 -12.764 0.665 -3.889 1.00 0.00 H new ATOM 0 HB THR A 67 -13.008 3.637 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.234 2.699 -5.944 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.215 3.833 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.729 2.783 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.210 2.066 -5.174 1.00 0.00 H new ATOM 1059 N LYS A 68 -12.965 2.339 -1.031 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.416 2.460 0.309 1.00 0.00 C ATOM 1061 C LYS A 68 -12.548 1.146 1.045 1.00 0.00 C ATOM 1062 O LYS A 68 -11.617 0.705 1.709 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.129 3.570 1.088 1.00 0.00 C ATOM 1064 CG LYS A 68 -12.975 4.957 0.476 1.00 0.00 C ATOM 1065 CD LYS A 68 -13.735 6.026 1.263 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.238 5.765 1.272 1.00 0.00 C ATOM 1067 NZ LYS A 68 -15.982 6.800 2.017 1.00 0.00 N ATOM 0 H LYS A 68 -13.761 2.950 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.360 2.719 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.190 3.329 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.743 3.589 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.918 5.220 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.336 4.940 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.365 6.054 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.539 7.006 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.604 5.725 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.432 4.789 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.998 6.580 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.653 6.822 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.819 7.728 1.578 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.701 0.514 0.885 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.985 -0.752 1.517 1.00 0.00 C ATOM 1083 C ALA A 69 -13.026 -1.846 1.052 1.00 0.00 C ATOM 1084 O ALA A 69 -12.411 -2.520 1.887 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.431 -1.151 1.287 1.00 0.00 C ATOM 0 H ALA A 69 -14.464 0.871 0.310 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.831 -0.630 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.626 -2.108 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.089 -0.391 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.618 -1.241 0.217 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.868 -2.014 -0.269 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.954 -3.036 -0.768 1.00 0.00 C ATOM 1093 C VAL A 70 -10.502 -2.697 -0.450 1.00 0.00 C ATOM 1094 O VAL A 70 -9.750 -3.574 -0.080 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.094 -3.376 -2.289 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.470 -3.888 -2.628 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.749 -2.204 -3.160 1.00 0.00 C ATOM 0 H VAL A 70 -13.347 -1.471 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.255 -3.935 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.377 -4.172 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.523 -4.111 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.672 -4.794 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.212 -3.129 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.860 -2.484 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.418 -1.373 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.719 -1.902 -2.972 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.116 -1.423 -0.560 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.743 -1.047 -0.278 1.00 0.00 C ATOM 1109 C GLU A 71 -8.398 -1.272 1.165 1.00 0.00 C ATOM 1110 O GLU A 71 -7.350 -1.800 1.458 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.407 0.382 -0.682 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.409 0.629 -2.169 1.00 0.00 C ATOM 1113 CD GLU A 71 -7.766 1.942 -2.513 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.060 2.951 -1.861 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -6.928 1.991 -3.445 1.00 0.00 O ATOM 0 H GLU A 71 -10.726 -0.654 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.131 -1.701 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.124 1.056 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.424 0.636 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.879 -0.179 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.434 0.618 -2.539 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.301 -0.917 2.061 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.088 -1.089 3.470 1.00 0.00 C ATOM 1124 C ASN A 72 -8.981 -2.571 3.788 1.00 0.00 C ATOM 1125 O ASN A 72 -8.137 -2.996 4.586 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.244 -0.455 4.224 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.077 -0.508 5.708 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -9.484 0.385 6.312 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.616 -1.517 6.310 1.00 0.00 N ATOM 0 H ASN A 72 -10.201 -0.501 1.823 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.160 -0.605 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.346 0.585 3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.170 -0.962 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.559 -1.595 7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.098 -2.235 5.770 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.820 -3.357 3.124 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.804 -4.789 3.275 1.00 0.00 C ATOM 1138 C TYR A 73 -8.474 -5.347 2.767 1.00 0.00 C ATOM 1139 O TYR A 73 -7.799 -6.064 3.484 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.995 -5.428 2.544 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.098 -6.927 2.722 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.334 -7.483 3.977 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.950 -7.790 1.642 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.424 -8.848 4.148 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -11.040 -9.156 1.807 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.276 -9.678 3.056 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.365 -11.044 3.216 1.00 0.00 O ATOM 0 H TYR A 73 -10.524 -3.012 2.471 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.901 -5.036 4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.916 -4.967 2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.917 -5.204 1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.449 -6.833 4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.762 -7.384 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.609 -9.264 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.925 -9.813 0.958 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.239 -11.484 2.349 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.087 -4.965 1.550 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.824 -5.405 0.952 1.00 0.00 C ATOM 1159 C LEU A 74 -5.602 -4.957 1.749 1.00 0.00 C ATOM 1160 O LEU A 74 -4.642 -5.708 1.844 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.689 -5.036 -0.545 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.265 -6.033 -1.588 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.552 -7.376 -1.516 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.760 -6.223 -1.430 1.00 0.00 C ATOM 0 H LEU A 74 -8.635 -4.346 0.953 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.858 -6.493 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.175 -4.072 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.630 -4.897 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.089 -5.596 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.976 -8.053 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.490 -7.236 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.678 -7.802 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.118 -6.928 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.974 -6.612 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.264 -5.266 -1.561 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.637 -3.740 2.310 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.555 -3.243 3.177 1.00 0.00 C ATOM 1178 C ILE A 75 -4.288 -4.248 4.294 1.00 0.00 C ATOM 1179 O ILE A 75 -3.153 -4.692 4.498 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.885 -1.829 3.795 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.823 -0.729 2.719 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.964 -1.485 4.974 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.192 0.659 3.216 1.00 0.00 C ATOM 0 H ILE A 75 -6.403 -3.080 2.180 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.665 -3.127 2.558 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.903 -1.880 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.814 -0.698 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.493 -0.999 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.228 -0.503 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.081 -2.233 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.928 -1.474 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.121 1.371 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.212 0.649 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.508 0.955 4.011 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.342 -4.650 4.961 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.230 -5.596 6.038 1.00 0.00 C ATOM 1197 C GLN A 76 -4.924 -6.992 5.500 1.00 0.00 C ATOM 1198 O GLN A 76 -4.020 -7.662 5.976 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.501 -5.611 6.877 1.00 0.00 C ATOM 1200 CG GLN A 76 -6.817 -4.284 7.544 1.00 0.00 C ATOM 1201 CD GLN A 76 -8.027 -4.363 8.451 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -8.944 -5.144 8.224 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -8.031 -3.560 9.486 1.00 0.00 N ATOM 0 H GLN A 76 -6.293 -4.332 4.773 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.403 -5.287 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.340 -5.895 6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.408 -6.379 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.953 -3.958 8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.990 -3.528 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.249 -2.924 9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.816 -3.571 10.137 1.00 0.00 H new ATOM 1212 N MET A 77 -5.635 -7.378 4.464 1.00 0.00 N ATOM 1213 CA MET A 77 -5.539 -8.708 3.859 1.00 0.00 C ATOM 1214 C MET A 77 -4.109 -8.998 3.365 1.00 0.00 C ATOM 1215 O MET A 77 -3.565 -10.088 3.595 1.00 0.00 O ATOM 1216 CB MET A 77 -6.527 -8.794 2.694 1.00 0.00 C ATOM 1217 CG MET A 77 -6.695 -10.164 2.089 1.00 0.00 C ATOM 1218 SD MET A 77 -7.861 -10.175 0.717 1.00 0.00 S ATOM 1219 CE MET A 77 -7.901 -11.920 0.321 1.00 0.00 C ATOM 0 H MET A 77 -6.313 -6.772 4.002 1.00 0.00 H new ATOM 0 HA MET A 77 -5.784 -9.456 4.613 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.501 -8.446 3.039 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.202 -8.108 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.727 -10.525 1.742 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.037 -10.857 2.857 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.582 -12.088 -0.513 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.901 -12.254 0.045 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.245 -12.482 1.189 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.495 -8.020 2.729 1.00 0.00 N ATOM 1230 CA ALA A 78 -2.143 -8.161 2.229 1.00 0.00 C ATOM 1231 C ALA A 78 -1.141 -8.106 3.369 1.00 0.00 C ATOM 1232 O ALA A 78 -0.135 -8.807 3.350 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.830 -7.089 1.193 1.00 0.00 C ATOM 0 H ALA A 78 -3.917 -7.110 2.545 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.064 -9.135 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.809 -7.217 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.523 -7.178 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.934 -6.103 1.647 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.904 -12.164 -7.196 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.766 -11.101 -7.626 1.00 0.00 C ATOM 1355 C LYS A 86 -3.232 -11.470 -7.531 1.00 0.00 C ATOM 1356 O LYS A 86 -3.629 -12.652 -7.635 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.501 -10.723 -9.076 1.00 0.00 C ATOM 1358 CG LYS A 86 -0.211 -10.005 -9.373 1.00 0.00 C ATOM 1359 CD LYS A 86 -0.182 -9.698 -10.853 1.00 0.00 C ATOM 1360 CE LYS A 86 0.944 -8.785 -11.254 1.00 0.00 C ATOM 1361 NZ LYS A 86 0.874 -8.486 -12.698 1.00 0.00 N ATOM 0 HA LYS A 86 -1.548 -10.268 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.526 -11.635 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.324 -10.095 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.143 -9.086 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.643 -10.623 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.097 -10.632 -11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.129 -9.241 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.891 -7.859 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.901 -9.252 -11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.359 -7.586 -12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.335 -9.249 -13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.122 -8.412 -12.989 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.012 -10.454 -7.349 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.425 -10.510 -7.375 1.00 0.00 C ATOM 1377 C VAL A 87 -5.853 -9.959 -8.732 1.00 0.00 C ATOM 1378 O VAL A 87 -5.603 -8.784 -9.041 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.043 -9.619 -6.264 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.554 -9.757 -6.227 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.445 -9.935 -4.903 1.00 0.00 C ATOM 0 H VAL A 87 -3.654 -9.516 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.762 -11.534 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.801 -8.584 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.958 -9.121 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.971 -9.454 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.820 -10.795 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.900 -9.294 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.636 -10.979 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.370 -9.759 -4.928 1.00 0.00 H new ATOM 1391 N SER A 88 -6.408 -10.803 -9.554 1.00 0.00 N ATOM 1392 CA SER A 88 -6.898 -10.403 -10.851 1.00 0.00 C ATOM 1393 C SER A 88 -8.250 -9.688 -10.683 1.00 0.00 C ATOM 1394 O SER A 88 -8.802 -9.682 -9.574 1.00 0.00 O ATOM 1395 CB SER A 88 -7.035 -11.655 -11.722 1.00 0.00 C ATOM 1396 OG SER A 88 -5.785 -12.333 -11.819 1.00 0.00 O ATOM 0 H SER A 88 -6.536 -11.793 -9.347 1.00 0.00 H new ATOM 0 HA SER A 88 -6.208 -9.711 -11.333 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.785 -12.321 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.383 -11.377 -12.717 1.00 0.00 H new ATOM 0 HG SER A 88 -5.889 -13.132 -12.377 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.786 -9.097 -11.768 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.079 -8.400 -11.713 1.00 0.00 C ATOM 1404 C GLU A 89 -11.153 -9.287 -11.139 1.00 0.00 C ATOM 1405 O GLU A 89 -11.840 -8.886 -10.223 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.516 -7.881 -13.079 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.695 -6.742 -13.611 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.172 -6.285 -14.959 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -9.862 -6.955 -15.955 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.874 -5.257 -15.054 1.00 0.00 O ATOM 0 H GLU A 89 -8.344 -9.090 -12.687 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.937 -7.541 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.478 -8.703 -13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.556 -7.562 -13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.736 -5.908 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.652 -7.049 -13.681 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.243 -10.517 -11.641 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.223 -11.488 -11.148 1.00 0.00 C ATOM 1419 C GLN A 90 -12.057 -11.749 -9.640 1.00 0.00 C ATOM 1420 O GLN A 90 -13.037 -11.956 -8.924 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.156 -12.801 -11.941 1.00 0.00 C ATOM 1422 CG GLN A 90 -10.789 -13.476 -11.951 1.00 0.00 C ATOM 1423 CD GLN A 90 -10.810 -14.805 -12.672 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -10.587 -14.874 -13.881 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -11.065 -15.859 -11.948 1.00 0.00 N ATOM 0 H GLN A 90 -10.648 -10.868 -12.391 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.210 -11.052 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.885 -13.497 -11.526 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.454 -12.602 -12.970 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.064 -12.817 -12.430 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.453 -13.627 -10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.245 -15.760 -10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.085 -16.782 -12.381 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.828 -11.680 -9.170 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.554 -11.884 -7.773 1.00 0.00 C ATOM 1436 C GLY A 91 -11.007 -10.701 -6.964 1.00 0.00 C ATOM 1437 O GLY A 91 -11.599 -10.855 -5.905 1.00 0.00 O ATOM 0 H GLY A 91 -10.006 -11.484 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.061 -12.784 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.486 -12.043 -7.626 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.764 -9.511 -7.485 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.163 -8.298 -6.805 1.00 0.00 C ATOM 1443 C LEU A 92 -12.678 -8.136 -6.857 1.00 0.00 C ATOM 1444 O LEU A 92 -13.269 -7.592 -5.949 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.478 -7.063 -7.383 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.756 -5.757 -6.625 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.138 -5.782 -5.229 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.298 -4.548 -7.415 1.00 0.00 C ATOM 0 H LEU A 92 -10.292 -9.362 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.846 -8.389 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.402 -7.236 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.796 -6.940 -8.418 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.836 -5.673 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.353 -4.843 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.560 -6.610 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.059 -5.911 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.510 -3.641 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.226 -4.618 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.828 -4.513 -8.367 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.294 -8.628 -7.922 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.750 -8.629 -8.051 1.00 0.00 C ATOM 1462 C ILE A 93 -15.370 -9.473 -6.929 1.00 0.00 C ATOM 1463 O ILE A 93 -16.451 -9.162 -6.415 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.203 -9.148 -9.457 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.779 -8.143 -10.548 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.714 -9.391 -9.503 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -15.029 -8.612 -11.971 1.00 0.00 C ATOM 0 H ILE A 93 -12.805 -9.036 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.103 -7.602 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.713 -10.104 -9.643 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.314 -7.207 -10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.717 -7.927 -10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.995 -9.751 -10.493 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.986 -10.137 -8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.239 -8.459 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.701 -7.843 -12.670 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.472 -9.531 -12.154 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.094 -8.799 -12.111 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.648 -10.498 -6.519 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.069 -11.347 -5.431 1.00 0.00 C ATOM 1481 C GLU A 94 -15.004 -10.555 -4.113 1.00 0.00 C ATOM 1482 O GLU A 94 -15.822 -10.727 -3.235 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.200 -12.607 -5.386 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.639 -13.649 -4.376 1.00 0.00 C ATOM 1485 CD GLU A 94 -16.059 -14.115 -4.591 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.399 -14.561 -5.707 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.859 -14.074 -3.640 1.00 0.00 O ATOM 0 H GLU A 94 -13.754 -10.762 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.100 -11.667 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.194 -13.062 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.174 -12.315 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.968 -14.506 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.546 -13.236 -3.372 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.044 -9.661 -4.016 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.915 -8.795 -2.847 1.00 0.00 C ATOM 1496 C ILE A 95 -15.005 -7.719 -2.915 1.00 0.00 C ATOM 1497 O ILE A 95 -15.653 -7.389 -1.920 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.537 -8.074 -2.821 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.379 -9.054 -3.099 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.334 -7.364 -1.490 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -11.222 -10.157 -2.086 1.00 0.00 C ATOM 0 H ILE A 95 -13.334 -9.509 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.008 -9.413 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.535 -7.330 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.530 -9.502 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.448 -8.489 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.365 -6.865 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.123 -6.626 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.368 -8.093 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.383 -10.793 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.035 -9.724 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.134 -10.753 -2.053 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.199 -7.203 -4.113 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.141 -6.145 -4.393 1.00 0.00 C ATOM 1515 C LEU A 96 -17.567 -6.568 -4.051 1.00 0.00 C ATOM 1516 O LEU A 96 -18.309 -5.809 -3.432 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.048 -5.733 -5.865 1.00 0.00 C ATOM 1518 CG LEU A 96 -16.847 -4.494 -6.273 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.313 -3.248 -5.568 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -16.822 -4.314 -7.781 1.00 0.00 C ATOM 0 H LEU A 96 -14.690 -7.519 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.886 -5.290 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -14.999 -5.559 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.381 -6.572 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.882 -4.639 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.896 -2.379 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.393 -3.378 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.268 -3.097 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.396 -3.428 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.792 -4.195 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.261 -5.190 -8.259 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.945 -7.785 -4.435 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.286 -8.288 -4.145 1.00 0.00 C ATOM 1534 C LYS A 97 -19.501 -8.384 -2.627 1.00 0.00 C ATOM 1535 O LYS A 97 -20.604 -8.115 -2.137 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.567 -9.643 -4.844 1.00 0.00 C ATOM 1537 CG LYS A 97 -18.698 -10.779 -4.352 1.00 0.00 C ATOM 1538 CD LYS A 97 -18.948 -12.103 -5.065 1.00 0.00 C ATOM 1539 CE LYS A 97 -18.596 -12.059 -6.545 1.00 0.00 C ATOM 1540 NZ LYS A 97 -18.438 -13.423 -7.092 1.00 0.00 N ATOM 0 H LYS A 97 -17.347 -8.437 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.003 -7.576 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.614 -9.908 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.419 -9.524 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.651 -10.503 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.866 -10.916 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.363 -12.885 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.998 -12.376 -4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.377 -11.532 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.673 -11.497 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.165 -13.366 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.700 -13.927 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.338 -13.937 -7.007 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.424 -8.711 -1.895 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.458 -8.777 -0.444 1.00 0.00 C ATOM 1556 C LYS A 98 -18.703 -7.410 0.140 1.00 0.00 C ATOM 1557 O LYS A 98 -19.634 -7.231 0.893 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.150 -9.343 0.120 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.865 -10.773 -0.286 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.496 -11.242 0.198 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.393 -11.277 1.726 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.094 -11.824 2.183 1.00 0.00 N ATOM 0 H LYS A 98 -17.515 -8.934 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.274 -9.444 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.323 -8.713 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.182 -9.286 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.637 -11.426 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.915 -10.859 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.295 -12.237 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.727 -10.579 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.521 -10.269 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.204 -11.883 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.243 -12.412 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.676 -12.404 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.450 -11.041 2.415 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.904 -6.427 -0.267 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.998 -5.070 0.299 1.00 0.00 C ATOM 1578 C VAL A 99 -19.318 -4.369 -0.069 1.00 0.00 C ATOM 1579 O VAL A 99 -19.697 -3.385 0.552 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.799 -4.161 -0.098 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.473 -4.822 0.210 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.867 -3.739 -1.543 1.00 0.00 C ATOM 0 H VAL A 99 -17.185 -6.536 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.969 -5.216 1.379 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.873 -3.260 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.659 -4.158 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.409 -5.029 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.395 -5.757 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.011 -3.106 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.851 -4.622 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.788 -3.183 -1.717 1.00 0.00 H new ATOM 1592 N SER A 100 -19.989 -4.870 -1.094 1.00 0.00 N ATOM 1593 CA SER A 100 -21.279 -4.346 -1.502 1.00 0.00 C ATOM 1594 C SER A 100 -22.358 -4.741 -0.480 1.00 0.00 C ATOM 1595 O SER A 100 -23.436 -4.140 -0.413 1.00 0.00 O ATOM 1596 CB SER A 100 -21.627 -4.891 -2.878 1.00 0.00 C ATOM 1597 OG SER A 100 -20.604 -4.580 -3.817 1.00 0.00 O ATOM 0 H SER A 100 -19.655 -5.648 -1.663 1.00 0.00 H new ATOM 0 HA SER A 100 -21.233 -3.258 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.761 -5.971 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.575 -4.469 -3.212 1.00 0.00 H new ATOM 0 HG SER A 100 -19.813 -5.128 -3.632 1.00 0.00 H new