USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 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= 0.853 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -174:sc= 1.24 (180deg=0.0664) USER MOD Single : A 12 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.9) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -88:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.14) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.02) USER MOD Single : A 67 THR OG1 : rot -90:sc= -1.98! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 76 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.39) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.645 USER MOD Single : A 90 GLN : amide:sc= 0.832 K(o=0.83,f=-7.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 -7.710 -4.061 27.386 1.00 0.00 N ATOM 22 CA ALA A 2 -6.328 -4.549 27.435 1.00 0.00 C ATOM 23 C ALA A 2 -5.417 -3.704 26.543 1.00 0.00 C ATOM 24 O ALA A 2 -4.274 -3.417 26.884 1.00 0.00 O ATOM 25 CB ALA A 2 -6.262 -6.013 27.037 1.00 0.00 C ATOM 0 HA ALA A 2 -5.974 -4.457 28.462 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.228 -6.355 27.080 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.869 -6.604 27.723 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.642 -6.132 26.022 1.00 0.00 H new ATOM 31 N ASP A 3 -5.922 -3.328 25.396 1.00 0.00 N ATOM 32 CA ASP A 3 -5.201 -2.455 24.486 1.00 0.00 C ATOM 33 C ASP A 3 -5.313 -1.019 24.988 1.00 0.00 C ATOM 34 O ASP A 3 -4.397 -0.218 24.862 1.00 0.00 O ATOM 35 CB ASP A 3 -5.784 -2.558 23.063 1.00 0.00 C ATOM 36 CG ASP A 3 -7.163 -1.931 22.924 1.00 0.00 C ATOM 37 OD1 ASP A 3 -8.118 -2.423 23.558 1.00 0.00 O ATOM 38 OD2 ASP A 3 -7.313 -0.931 22.189 1.00 0.00 O ATOM 0 H ASP A 3 -6.842 -3.614 25.061 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.154 -2.757 24.450 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.102 -2.074 22.364 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.841 -3.608 22.778 1.00 0.00 H new ATOM 43 N GLU A 4 -6.439 -0.736 25.610 1.00 0.00 N ATOM 44 CA GLU A 4 -6.766 0.583 26.082 1.00 0.00 C ATOM 45 C GLU A 4 -5.877 1.012 27.239 1.00 0.00 C ATOM 46 O GLU A 4 -5.518 2.186 27.338 1.00 0.00 O ATOM 47 CB GLU A 4 -8.248 0.644 26.434 1.00 0.00 C ATOM 48 CG GLU A 4 -8.738 1.984 26.926 1.00 0.00 C ATOM 49 CD GLU A 4 -10.229 2.022 27.015 1.00 0.00 C ATOM 50 OE1 GLU A 4 -10.800 1.480 27.975 1.00 0.00 O ATOM 51 OE2 GLU A 4 -10.861 2.573 26.099 1.00 0.00 O ATOM 0 H GLU A 4 -7.161 -1.431 25.802 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.573 1.299 25.283 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.826 0.365 25.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.454 -0.104 27.200 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.308 2.192 27.906 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.392 2.769 26.253 1.00 0.00 H new ATOM 58 N GLU A 5 -5.488 0.057 28.086 1.00 0.00 N ATOM 59 CA GLU A 5 -4.620 0.361 29.212 1.00 0.00 C ATOM 60 C GLU A 5 -3.261 0.840 28.708 1.00 0.00 C ATOM 61 O GLU A 5 -2.671 1.733 29.283 1.00 0.00 O ATOM 62 CB GLU A 5 -4.460 -0.849 30.154 1.00 0.00 C ATOM 63 CG GLU A 5 -3.730 -2.032 29.551 1.00 0.00 C ATOM 64 CD GLU A 5 -3.599 -3.183 30.502 1.00 0.00 C ATOM 65 OE1 GLU A 5 -2.740 -3.139 31.400 1.00 0.00 O ATOM 66 OE2 GLU A 5 -4.354 -4.171 30.376 1.00 0.00 O ATOM 0 H GLU A 5 -5.760 -0.923 28.010 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.086 1.159 29.791 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.925 -0.527 31.048 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.449 -1.175 30.474 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.261 -2.363 28.658 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.737 -1.716 29.232 1.00 0.00 H new ATOM 73 N LEU A 6 -2.820 0.271 27.585 1.00 0.00 N ATOM 74 CA LEU A 6 -1.550 0.621 26.980 1.00 0.00 C ATOM 75 C LEU A 6 -1.638 2.064 26.492 1.00 0.00 C ATOM 76 O LEU A 6 -0.758 2.880 26.772 1.00 0.00 O ATOM 77 CB LEU A 6 -1.242 -0.372 25.817 1.00 0.00 C ATOM 78 CG LEU A 6 0.186 -0.388 25.194 1.00 0.00 C ATOM 79 CD1 LEU A 6 0.322 -1.581 24.265 1.00 0.00 C ATOM 80 CD2 LEU A 6 0.495 0.883 24.409 1.00 0.00 C ATOM 0 H LEU A 6 -3.339 -0.444 27.075 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.734 0.546 27.698 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.454 -1.378 26.179 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.949 -0.167 25.013 1.00 0.00 H new ATOM 0 HG LEU A 6 0.895 -0.453 26.019 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.321 -1.591 23.830 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.162 -2.501 24.828 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.420 -1.509 23.469 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.502 0.820 23.996 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.224 0.993 23.597 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.428 1.746 25.072 1.00 0.00 H new ATOM 92 N GLU A 7 -2.731 2.369 25.796 1.00 0.00 N ATOM 93 CA GLU A 7 -2.994 3.709 25.287 1.00 0.00 C ATOM 94 C GLU A 7 -2.984 4.720 26.431 1.00 0.00 C ATOM 95 O GLU A 7 -2.211 5.680 26.422 1.00 0.00 O ATOM 96 CB GLU A 7 -4.361 3.750 24.594 1.00 0.00 C ATOM 97 CG GLU A 7 -4.499 2.827 23.396 1.00 0.00 C ATOM 98 CD GLU A 7 -3.554 3.183 22.282 1.00 0.00 C ATOM 99 OE1 GLU A 7 -3.740 4.245 21.653 1.00 0.00 O ATOM 100 OE2 GLU A 7 -2.578 2.434 22.025 1.00 0.00 O ATOM 0 H GLU A 7 -3.459 1.691 25.570 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.213 3.964 24.571 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.129 3.492 25.323 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.558 4.772 24.271 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.315 1.800 23.710 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.523 2.868 23.026 1.00 0.00 H new ATOM 107 N ALA A 8 -3.812 4.457 27.424 1.00 0.00 N ATOM 108 CA ALA A 8 -3.988 5.327 28.579 1.00 0.00 C ATOM 109 C ALA A 8 -2.686 5.529 29.344 1.00 0.00 C ATOM 110 O ALA A 8 -2.343 6.665 29.723 1.00 0.00 O ATOM 111 CB ALA A 8 -5.053 4.755 29.506 1.00 0.00 C ATOM 0 H ALA A 8 -4.393 3.619 27.454 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.308 6.301 28.210 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.177 5.412 30.367 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.999 4.677 28.969 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.746 3.766 29.846 1.00 0.00 H new ATOM 117 N LEU A 9 -1.954 4.444 29.547 1.00 0.00 N ATOM 118 CA LEU A 9 -0.715 4.480 30.297 1.00 0.00 C ATOM 119 C LEU A 9 0.348 5.265 29.535 1.00 0.00 C ATOM 120 O LEU A 9 1.069 6.071 30.122 1.00 0.00 O ATOM 121 CB LEU A 9 -0.220 3.064 30.582 1.00 0.00 C ATOM 122 CG LEU A 9 0.912 2.936 31.598 1.00 0.00 C ATOM 123 CD1 LEU A 9 0.442 3.380 32.973 1.00 0.00 C ATOM 124 CD2 LEU A 9 1.427 1.514 31.645 1.00 0.00 C ATOM 0 H LEU A 9 -2.204 3.519 29.197 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.905 4.980 31.247 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.064 2.471 30.933 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.112 2.622 29.643 1.00 0.00 H new ATOM 0 HG LEU A 9 1.730 3.585 31.287 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.260 3.283 33.686 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.121 4.421 32.929 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.393 2.756 33.291 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.233 1.443 32.375 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.617 0.843 31.932 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.802 1.230 30.662 1.00 0.00 H new ATOM 136 N ARG A 10 0.418 5.044 28.224 1.00 0.00 N ATOM 137 CA ARG A 10 1.367 5.743 27.358 1.00 0.00 C ATOM 138 C ARG A 10 1.107 7.243 27.423 1.00 0.00 C ATOM 139 O ARG A 10 2.025 8.032 27.556 1.00 0.00 O ATOM 140 CB ARG A 10 1.228 5.251 25.915 1.00 0.00 C ATOM 141 CG ARG A 10 2.221 5.857 24.926 1.00 0.00 C ATOM 142 CD ARG A 10 1.904 5.406 23.507 1.00 0.00 C ATOM 143 NE ARG A 10 0.583 5.902 23.071 1.00 0.00 N ATOM 144 CZ ARG A 10 -0.468 5.147 22.718 1.00 0.00 C ATOM 145 NH1 ARG A 10 -0.381 3.823 22.697 1.00 0.00 N ATOM 146 NH2 ARG A 10 -1.601 5.730 22.379 1.00 0.00 N ATOM 0 H ARG A 10 -0.179 4.378 27.733 1.00 0.00 H new ATOM 0 HA ARG A 10 2.381 5.537 27.701 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.344 4.167 25.904 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.217 5.467 25.570 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.184 6.945 24.985 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.235 5.558 25.191 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.674 5.769 22.827 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.921 4.317 23.456 1.00 0.00 H new ATOM 0 HE ARG A 10 0.458 6.914 23.035 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.494 3.365 22.952 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.189 3.263 22.426 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.673 6.747 22.387 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.405 5.164 22.109 1.00 0.00 H new ATOM 160 N ARG A 11 -0.166 7.605 27.375 1.00 0.00 N ATOM 161 CA ARG A 11 -0.602 8.999 27.447 1.00 0.00 C ATOM 162 C ARG A 11 -0.220 9.625 28.791 1.00 0.00 C ATOM 163 O ARG A 11 0.173 10.789 28.853 1.00 0.00 O ATOM 164 CB ARG A 11 -2.113 9.093 27.215 1.00 0.00 C ATOM 165 CG ARG A 11 -2.552 8.682 25.819 1.00 0.00 C ATOM 166 CD ARG A 11 -4.063 8.513 25.728 1.00 0.00 C ATOM 167 NE ARG A 11 -4.500 8.157 24.374 1.00 0.00 N ATOM 168 CZ ARG A 11 -5.659 7.548 24.065 1.00 0.00 C ATOM 169 NH1 ARG A 11 -6.543 7.230 25.011 1.00 0.00 N ATOM 170 NH2 ARG A 11 -5.933 7.265 22.810 1.00 0.00 N ATOM 0 H ARG A 11 -0.933 6.939 27.284 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.093 9.559 26.662 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.622 8.463 27.945 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.435 10.118 27.399 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.226 9.433 25.100 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.064 7.746 25.545 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.383 7.740 26.426 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.550 9.439 26.033 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.874 8.390 23.603 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.346 7.448 25.988 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.417 6.768 24.758 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.268 7.507 22.076 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.811 6.803 22.571 1.00 0.00 H new ATOM 184 N GLN A 12 -0.322 8.848 29.852 1.00 0.00 N ATOM 185 CA GLN A 12 0.057 9.309 31.176 1.00 0.00 C ATOM 186 C GLN A 12 1.570 9.513 31.249 1.00 0.00 C ATOM 187 O GLN A 12 2.053 10.587 31.608 1.00 0.00 O ATOM 188 CB GLN A 12 -0.372 8.304 32.244 1.00 0.00 C ATOM 189 CG GLN A 12 0.052 8.695 33.651 1.00 0.00 C ATOM 190 CD GLN A 12 -0.252 7.630 34.673 1.00 0.00 C ATOM 191 OE1 GLN A 12 -0.266 6.436 34.364 1.00 0.00 O ATOM 192 NE2 GLN A 12 -0.468 8.033 35.889 1.00 0.00 N ATOM 0 H GLN A 12 -0.666 7.888 29.823 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.448 10.257 31.362 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.456 8.197 32.216 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.050 7.328 32.004 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.122 8.903 33.658 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.454 9.618 33.934 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.448 9.029 36.107 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.657 7.353 36.626 1.00 0.00 H new ATOM 201 N ARG A 13 2.306 8.483 30.860 1.00 0.00 N ATOM 202 CA ARG A 13 3.761 8.494 30.910 1.00 0.00 C ATOM 203 C ARG A 13 4.349 9.534 29.968 1.00 0.00 C ATOM 204 O ARG A 13 5.451 10.025 30.187 1.00 0.00 O ATOM 205 CB ARG A 13 4.320 7.105 30.628 1.00 0.00 C ATOM 206 CG ARG A 13 3.850 6.064 31.633 1.00 0.00 C ATOM 207 CD ARG A 13 4.437 4.701 31.351 1.00 0.00 C ATOM 208 NE ARG A 13 5.890 4.685 31.519 1.00 0.00 N ATOM 209 CZ ARG A 13 6.617 3.586 31.733 1.00 0.00 C ATOM 210 NH1 ARG A 13 6.024 2.402 31.865 1.00 0.00 N ATOM 211 NH2 ARG A 13 7.935 3.677 31.830 1.00 0.00 N ATOM 0 H ARG A 13 1.911 7.614 30.500 1.00 0.00 H new ATOM 0 HA ARG A 13 4.057 8.778 31.920 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.023 6.796 29.626 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.409 7.148 30.639 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.130 6.378 32.639 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.762 6.002 31.609 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.987 3.967 32.019 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.186 4.402 30.333 1.00 0.00 H new ATOM 0 HE ARG A 13 6.383 5.577 31.469 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.008 2.331 31.803 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.585 1.566 32.028 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.391 4.585 31.741 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.493 2.839 31.994 1.00 0.00 H new ATOM 225 N LEU A 14 3.600 9.873 28.934 1.00 0.00 N ATOM 226 CA LEU A 14 3.981 10.906 27.988 1.00 0.00 C ATOM 227 C LEU A 14 4.125 12.253 28.710 1.00 0.00 C ATOM 228 O LEU A 14 5.073 13.008 28.459 1.00 0.00 O ATOM 229 CB LEU A 14 2.925 10.996 26.882 1.00 0.00 C ATOM 230 CG LEU A 14 3.176 11.998 25.758 1.00 0.00 C ATOM 231 CD1 LEU A 14 4.465 11.671 25.024 1.00 0.00 C ATOM 232 CD2 LEU A 14 2.000 11.999 24.798 1.00 0.00 C ATOM 0 H LEU A 14 2.703 9.435 28.726 1.00 0.00 H new ATOM 0 HA LEU A 14 4.942 10.654 27.540 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.818 10.007 26.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.970 11.241 27.346 1.00 0.00 H new ATOM 0 HG LEU A 14 3.279 12.993 26.191 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.624 12.398 24.227 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.301 11.709 25.722 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.396 10.671 24.595 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.184 12.716 23.998 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.877 11.003 24.372 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.093 12.279 25.334 1.00 0.00 H new ATOM 656 N ILE A 43 1.750 -1.880 -1.407 1.00 0.00 N ATOM 657 CA ILE A 43 0.956 -3.043 -1.074 1.00 0.00 C ATOM 658 C ILE A 43 -0.214 -3.196 -2.030 1.00 0.00 C ATOM 659 O ILE A 43 -0.492 -4.295 -2.487 1.00 0.00 O ATOM 660 CB ILE A 43 0.488 -3.121 0.415 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.454 -1.960 0.798 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.695 -3.197 1.349 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.932 -1.994 2.236 1.00 0.00 C ATOM 0 HA ILE A 43 1.632 -3.890 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.094 -4.035 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.061 -1.016 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.322 -1.979 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.353 -3.251 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.281 -4.085 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.313 -2.309 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.589 -1.144 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.478 -2.920 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.074 -1.942 2.906 1.00 0.00 H new ATOM 675 N LEU A 44 -0.848 -2.081 -2.392 1.00 0.00 N ATOM 676 CA LEU A 44 -1.956 -2.114 -3.333 1.00 0.00 C ATOM 677 C LEU A 44 -1.473 -2.520 -4.720 1.00 0.00 C ATOM 678 O LEU A 44 -2.101 -3.340 -5.378 1.00 0.00 O ATOM 679 CB LEU A 44 -2.696 -0.766 -3.392 1.00 0.00 C ATOM 680 CG LEU A 44 -3.448 -0.337 -2.116 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.063 1.042 -2.301 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.531 -1.351 -1.754 1.00 0.00 C ATOM 0 H LEU A 44 -0.612 -1.151 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.664 -2.862 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.972 0.010 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.412 -0.806 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.729 -0.296 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.590 1.330 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.276 1.767 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.764 1.019 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.047 -1.026 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.246 -1.427 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.074 -2.325 -1.580 1.00 0.00 H new ATOM 694 N ALA A 45 -0.348 -1.960 -5.143 1.00 0.00 N ATOM 695 CA ALA A 45 0.243 -2.272 -6.442 1.00 0.00 C ATOM 696 C ALA A 45 0.708 -3.741 -6.559 1.00 0.00 C ATOM 697 O ALA A 45 0.826 -4.266 -7.667 1.00 0.00 O ATOM 698 CB ALA A 45 1.401 -1.327 -6.738 1.00 0.00 C ATOM 0 H ALA A 45 0.181 -1.278 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.543 -2.132 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.831 -1.572 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.038 -0.299 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.163 -1.433 -5.966 1.00 0.00 H new ATOM 704 N GLN A 46 1.001 -4.391 -5.441 1.00 0.00 N ATOM 705 CA GLN A 46 1.444 -5.781 -5.502 1.00 0.00 C ATOM 706 C GLN A 46 0.299 -6.757 -5.268 1.00 0.00 C ATOM 707 O GLN A 46 0.283 -7.824 -5.869 1.00 0.00 O ATOM 708 CB GLN A 46 2.602 -6.074 -4.533 1.00 0.00 C ATOM 709 CG GLN A 46 2.244 -5.918 -3.069 1.00 0.00 C ATOM 710 CD GLN A 46 3.373 -6.265 -2.141 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.180 -5.415 -1.767 1.00 0.00 O ATOM 712 NE2 GLN A 46 3.455 -7.513 -1.765 1.00 0.00 N ATOM 0 H GLN A 46 0.943 -3.994 -4.503 1.00 0.00 H new ATOM 0 HA GLN A 46 1.816 -5.929 -6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.954 -7.092 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.432 -5.407 -4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.935 -4.889 -2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.388 -6.553 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.768 -8.191 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.206 -7.810 -1.142 1.00 0.00 H new ATOM 721 N VAL A 47 -0.649 -6.404 -4.390 1.00 0.00 N ATOM 722 CA VAL A 47 -1.766 -7.296 -4.114 1.00 0.00 C ATOM 723 C VAL A 47 -2.745 -7.258 -5.269 1.00 0.00 C ATOM 724 O VAL A 47 -3.376 -8.242 -5.581 1.00 0.00 O ATOM 725 CB VAL A 47 -2.489 -7.002 -2.744 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.212 -5.667 -2.740 1.00 0.00 C ATOM 727 CG2 VAL A 47 -3.442 -8.129 -2.364 1.00 0.00 C ATOM 0 H VAL A 47 -0.661 -5.525 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.355 -8.300 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.704 -6.945 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.692 -5.516 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.496 -4.865 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.968 -5.660 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.923 -7.894 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.201 -8.240 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.884 -9.060 -2.267 1.00 0.00 H new ATOM 737 N LEU A 48 -2.830 -6.135 -5.923 1.00 0.00 N ATOM 738 CA LEU A 48 -3.678 -6.012 -7.057 1.00 0.00 C ATOM 739 C LEU A 48 -2.844 -5.979 -8.291 1.00 0.00 C ATOM 740 O LEU A 48 -1.906 -5.191 -8.396 1.00 0.00 O ATOM 741 CB LEU A 48 -4.534 -4.747 -6.991 1.00 0.00 C ATOM 742 CG LEU A 48 -5.541 -4.648 -5.848 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.262 -3.321 -5.895 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.534 -5.784 -5.916 1.00 0.00 C ATOM 0 H LEU A 48 -2.314 -5.289 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.349 -6.871 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.865 -3.889 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.079 -4.658 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.998 -4.718 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.976 -3.266 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.539 -2.511 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.791 -3.228 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.244 -5.697 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.070 -5.742 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.006 -6.734 -5.840 1.00 0.00 H new ATOM 756 N ASP A 49 -3.155 -6.851 -9.207 1.00 0.00 N ATOM 757 CA ASP A 49 -2.525 -6.860 -10.505 1.00 0.00 C ATOM 758 C ASP A 49 -2.926 -5.586 -11.239 1.00 0.00 C ATOM 759 O ASP A 49 -3.917 -4.952 -10.867 1.00 0.00 O ATOM 760 CB ASP A 49 -2.975 -8.102 -11.309 1.00 0.00 C ATOM 761 CG ASP A 49 -2.374 -8.157 -12.699 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.208 -8.567 -12.831 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.054 -7.732 -13.673 1.00 0.00 O ATOM 0 H ASP A 49 -3.856 -7.581 -9.078 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.442 -6.903 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.696 -9.003 -10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.062 -8.102 -11.389 1.00 0.00 H new ATOM 768 N GLN A 50 -2.179 -5.230 -12.262 1.00 0.00 N ATOM 769 CA GLN A 50 -2.432 -4.042 -13.098 1.00 0.00 C ATOM 770 C GLN A 50 -3.909 -3.984 -13.532 1.00 0.00 C ATOM 771 O GLN A 50 -4.531 -2.907 -13.560 1.00 0.00 O ATOM 772 CB GLN A 50 -1.534 -4.088 -14.342 1.00 0.00 C ATOM 773 CG GLN A 50 -1.680 -2.891 -15.277 1.00 0.00 C ATOM 774 CD GLN A 50 -0.877 -3.050 -16.548 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.290 -2.655 -16.623 1.00 0.00 O ATOM 776 NE2 GLN A 50 -1.485 -3.617 -17.552 1.00 0.00 N ATOM 0 H GLN A 50 -1.358 -5.760 -12.554 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.206 -3.151 -12.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.495 -4.157 -14.021 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.756 -4.997 -14.900 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.732 -2.757 -15.530 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.359 -1.987 -14.759 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.450 -3.931 -17.452 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.995 -3.747 -18.437 1.00 0.00 H new ATOM 785 N SER A 51 -4.467 -5.150 -13.806 1.00 0.00 N ATOM 786 CA SER A 51 -5.835 -5.269 -14.217 1.00 0.00 C ATOM 787 C SER A 51 -6.789 -4.875 -13.080 1.00 0.00 C ATOM 788 O SER A 51 -7.693 -4.054 -13.256 1.00 0.00 O ATOM 789 CB SER A 51 -6.089 -6.691 -14.713 1.00 0.00 C ATOM 790 OG SER A 51 -5.635 -7.661 -13.765 1.00 0.00 O ATOM 0 H SER A 51 -3.972 -6.040 -13.746 1.00 0.00 H new ATOM 0 HA SER A 51 -6.030 -4.578 -15.037 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.154 -6.830 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.579 -6.843 -15.664 1.00 0.00 H new ATOM 0 HG SER A 51 -4.692 -7.867 -13.934 1.00 0.00 H new ATOM 796 N ALA A 52 -6.543 -5.416 -11.905 1.00 0.00 N ATOM 797 CA ALA A 52 -7.351 -5.131 -10.743 1.00 0.00 C ATOM 798 C ALA A 52 -7.159 -3.680 -10.304 1.00 0.00 C ATOM 799 O ALA A 52 -8.102 -3.030 -9.875 1.00 0.00 O ATOM 800 CB ALA A 52 -7.029 -6.096 -9.624 1.00 0.00 C ATOM 0 H ALA A 52 -5.776 -6.066 -11.731 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.401 -5.264 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.647 -5.866 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.230 -7.115 -9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.977 -6.003 -9.355 1.00 0.00 H new ATOM 806 N ARG A 53 -5.937 -3.172 -10.448 1.00 0.00 N ATOM 807 CA ARG A 53 -5.628 -1.768 -10.159 1.00 0.00 C ATOM 808 C ARG A 53 -6.473 -0.840 -11.043 1.00 0.00 C ATOM 809 O ARG A 53 -6.998 0.166 -10.574 1.00 0.00 O ATOM 810 CB ARG A 53 -4.122 -1.482 -10.347 1.00 0.00 C ATOM 811 CG ARG A 53 -3.207 -2.105 -9.280 1.00 0.00 C ATOM 812 CD ARG A 53 -3.384 -1.435 -7.927 1.00 0.00 C ATOM 813 NE ARG A 53 -2.924 -0.047 -7.966 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.304 0.941 -7.153 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.218 0.734 -6.212 1.00 0.00 N ATOM 816 NH2 ARG A 53 -2.764 2.144 -7.293 1.00 0.00 N ATOM 0 H ARG A 53 -5.135 -3.716 -10.766 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.877 -1.572 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.817 -1.850 -11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.970 -0.403 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.425 -3.169 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.167 -2.018 -9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.434 -1.466 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.827 -1.985 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.244 0.190 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.639 -0.189 -6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.499 1.498 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.065 2.308 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.048 2.905 -6.677 1.00 0.00 H new ATOM 830 N ALA A 54 -6.642 -1.215 -12.309 1.00 0.00 N ATOM 831 CA ALA A 54 -7.467 -0.441 -13.231 1.00 0.00 C ATOM 832 C ALA A 54 -8.932 -0.468 -12.781 1.00 0.00 C ATOM 833 O ALA A 54 -9.632 0.543 -12.828 1.00 0.00 O ATOM 834 CB ALA A 54 -7.328 -0.977 -14.652 1.00 0.00 C ATOM 0 H ALA A 54 -6.219 -2.048 -12.718 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.123 0.593 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.950 -0.388 -15.326 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.287 -0.908 -14.967 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.648 -2.019 -14.681 1.00 0.00 H new ATOM 840 N ARG A 55 -9.375 -1.624 -12.309 1.00 0.00 N ATOM 841 CA ARG A 55 -10.747 -1.790 -11.803 1.00 0.00 C ATOM 842 C ARG A 55 -10.956 -0.989 -10.526 1.00 0.00 C ATOM 843 O ARG A 55 -11.989 -0.362 -10.349 1.00 0.00 O ATOM 844 CB ARG A 55 -11.111 -3.287 -11.595 1.00 0.00 C ATOM 845 CG ARG A 55 -11.560 -4.052 -12.863 1.00 0.00 C ATOM 846 CD ARG A 55 -10.657 -3.770 -14.042 1.00 0.00 C ATOM 847 NE ARG A 55 -10.901 -4.609 -15.204 1.00 0.00 N ATOM 848 CZ ARG A 55 -10.722 -4.227 -16.472 1.00 0.00 C ATOM 849 NH1 ARG A 55 -10.503 -2.951 -16.782 1.00 0.00 N ATOM 850 NH2 ARG A 55 -10.776 -5.131 -17.416 1.00 0.00 N ATOM 0 H ARG A 55 -8.808 -2.470 -12.262 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.424 -1.399 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.245 -3.797 -11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.909 -3.348 -10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.565 -5.123 -12.658 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.583 -3.770 -13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.775 -2.726 -14.332 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.621 -3.898 -13.729 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.233 -5.559 -15.039 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.470 -2.246 -16.046 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.369 -2.679 -17.756 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.952 -6.107 -17.178 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.642 -4.860 -18.390 1.00 0.00 H new ATOM 864 N LEU A 56 -9.951 -0.975 -9.663 1.00 0.00 N ATOM 865 CA LEU A 56 -10.008 -0.210 -8.417 1.00 0.00 C ATOM 866 C LEU A 56 -10.121 1.283 -8.728 1.00 0.00 C ATOM 867 O LEU A 56 -10.834 2.027 -8.041 1.00 0.00 O ATOM 868 CB LEU A 56 -8.763 -0.468 -7.554 1.00 0.00 C ATOM 869 CG LEU A 56 -8.755 0.216 -6.179 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.857 -0.337 -5.299 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.410 0.075 -5.501 1.00 0.00 C ATOM 0 H LEU A 56 -9.079 -1.487 -9.800 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.886 -0.534 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.662 -1.543 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.884 -0.139 -8.109 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.939 1.279 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.833 0.161 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.823 -0.163 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.709 -1.408 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.438 0.570 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.181 -0.982 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.640 0.535 -6.121 1.00 0.00 H new ATOM 883 N SER A 57 -9.420 1.704 -9.760 1.00 0.00 N ATOM 884 CA SER A 57 -9.468 3.068 -10.218 1.00 0.00 C ATOM 885 C SER A 57 -10.872 3.378 -10.777 1.00 0.00 C ATOM 886 O SER A 57 -11.472 4.399 -10.433 1.00 0.00 O ATOM 887 CB SER A 57 -8.364 3.298 -11.269 1.00 0.00 C ATOM 888 OG SER A 57 -8.328 4.639 -11.744 1.00 0.00 O ATOM 0 H SER A 57 -8.800 1.104 -10.304 1.00 0.00 H new ATOM 0 HA SER A 57 -9.284 3.751 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.397 3.045 -10.835 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.523 2.623 -12.110 1.00 0.00 H new ATOM 0 HG SER A 57 -7.611 4.733 -12.406 1.00 0.00 H new ATOM 894 N ASN A 58 -11.405 2.459 -11.592 1.00 0.00 N ATOM 895 CA ASN A 58 -12.752 2.598 -12.176 1.00 0.00 C ATOM 896 C ASN A 58 -13.804 2.752 -11.084 1.00 0.00 C ATOM 897 O ASN A 58 -14.591 3.703 -11.095 1.00 0.00 O ATOM 898 CB ASN A 58 -13.101 1.378 -13.050 1.00 0.00 C ATOM 899 CG ASN A 58 -14.513 1.453 -13.637 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.486 1.007 -13.023 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.631 1.964 -14.826 1.00 0.00 N ATOM 0 H ASN A 58 -10.922 1.603 -11.866 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.748 3.493 -12.798 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.378 1.300 -13.862 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.008 0.471 -12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.546 2.004 -15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.809 2.325 -15.310 1.00 0.00 H new ATOM 908 N LEU A 59 -13.781 1.837 -10.120 1.00 0.00 N ATOM 909 CA LEU A 59 -14.725 1.854 -9.018 1.00 0.00 C ATOM 910 C LEU A 59 -14.619 3.117 -8.188 1.00 0.00 C ATOM 911 O LEU A 59 -15.617 3.611 -7.696 1.00 0.00 O ATOM 912 CB LEU A 59 -14.623 0.592 -8.141 1.00 0.00 C ATOM 913 CG LEU A 59 -15.443 -0.651 -8.589 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.935 -0.343 -8.581 1.00 0.00 C ATOM 915 CD2 LEU A 59 -15.017 -1.160 -9.961 1.00 0.00 C ATOM 0 H LEU A 59 -13.110 1.069 -10.084 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.717 1.851 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.574 0.303 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.935 0.856 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.238 -1.443 -7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.490 -1.226 -8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.243 -0.062 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.140 0.480 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.618 -2.029 -10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.163 -0.374 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.964 -1.442 -9.934 1.00 0.00 H new ATOM 927 N ALA A 60 -13.419 3.664 -8.078 1.00 0.00 N ATOM 928 CA ALA A 60 -13.199 4.900 -7.326 1.00 0.00 C ATOM 929 C ALA A 60 -13.850 6.081 -8.020 1.00 0.00 C ATOM 930 O ALA A 60 -14.335 7.010 -7.376 1.00 0.00 O ATOM 931 CB ALA A 60 -11.720 5.169 -7.165 1.00 0.00 C ATOM 0 H ALA A 60 -12.576 3.274 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.652 4.773 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.577 6.092 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.256 4.342 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.259 5.267 -8.148 1.00 0.00 H new ATOM 937 N LEU A 61 -13.871 6.032 -9.328 1.00 0.00 N ATOM 938 CA LEU A 61 -14.419 7.105 -10.124 1.00 0.00 C ATOM 939 C LEU A 61 -15.946 7.076 -10.110 1.00 0.00 C ATOM 940 O LEU A 61 -16.604 8.122 -10.221 1.00 0.00 O ATOM 941 CB LEU A 61 -13.875 7.030 -11.553 1.00 0.00 C ATOM 942 CG LEU A 61 -12.348 7.178 -11.693 1.00 0.00 C ATOM 943 CD1 LEU A 61 -11.915 6.981 -13.133 1.00 0.00 C ATOM 944 CD2 LEU A 61 -11.883 8.536 -11.185 1.00 0.00 C ATOM 0 H LEU A 61 -13.509 5.249 -9.872 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.109 8.054 -9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.170 6.074 -11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.353 7.809 -12.146 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.883 6.404 -11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.833 7.090 -13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.202 5.984 -13.466 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.398 7.727 -13.764 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.801 8.615 -11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.365 9.325 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.149 8.642 -10.133 1.00 0.00 H new ATOM 956 N VAL A 62 -16.510 5.895 -9.973 1.00 0.00 N ATOM 957 CA VAL A 62 -17.949 5.774 -9.914 1.00 0.00 C ATOM 958 C VAL A 62 -18.483 5.880 -8.473 1.00 0.00 C ATOM 959 O VAL A 62 -19.255 6.794 -8.167 1.00 0.00 O ATOM 960 CB VAL A 62 -18.505 4.525 -10.670 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.277 4.679 -12.165 1.00 0.00 C ATOM 962 CG2 VAL A 62 -17.868 3.233 -10.187 1.00 0.00 C ATOM 0 H VAL A 62 -16.000 5.015 -9.901 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.338 6.633 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 62 -19.573 4.467 -10.460 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.667 3.804 -12.685 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -18.791 5.572 -12.521 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.209 4.772 -12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.285 2.392 -10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.791 3.276 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.070 3.103 -9.124 1.00 0.00 H new ATOM 972 N LYS A 63 -18.054 5.000 -7.586 1.00 0.00 N ATOM 973 CA LYS A 63 -18.480 5.048 -6.200 1.00 0.00 C ATOM 974 C LYS A 63 -17.344 4.697 -5.268 1.00 0.00 C ATOM 975 O LYS A 63 -17.100 3.510 -5.008 1.00 0.00 O ATOM 976 CB LYS A 63 -19.666 4.124 -5.867 1.00 0.00 C ATOM 977 CG LYS A 63 -20.999 4.450 -6.524 1.00 0.00 C ATOM 978 CD LYS A 63 -22.141 3.775 -5.758 1.00 0.00 C ATOM 979 CE LYS A 63 -21.995 2.256 -5.701 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.943 1.653 -4.742 1.00 0.00 N ATOM 0 H LYS A 63 -17.408 4.241 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.808 6.077 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.391 3.106 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.809 4.132 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.150 5.529 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.995 4.111 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.176 4.171 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -23.090 4.027 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.164 1.836 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.975 1.999 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.862 0.617 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.722 1.983 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.913 1.934 -4.990 1.00 0.00 H new ATOM 994 N PRO A 64 -16.653 5.720 -4.705 1.00 0.00 N ATOM 995 CA PRO A 64 -15.559 5.517 -3.735 1.00 0.00 C ATOM 996 C PRO A 64 -16.075 4.881 -2.444 1.00 0.00 C ATOM 997 O PRO A 64 -15.298 4.430 -1.594 1.00 0.00 O ATOM 998 CB PRO A 64 -15.028 6.923 -3.457 1.00 0.00 C ATOM 999 CG PRO A 64 -15.586 7.782 -4.534 1.00 0.00 C ATOM 1000 CD PRO A 64 -16.864 7.141 -4.988 1.00 0.00 C ATOM 0 HA PRO A 64 -14.793 4.845 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.342 7.273 -2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.938 6.940 -3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.770 8.791 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.882 7.868 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.725 7.534 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.046 7.316 -6.048 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.395 4.838 -2.354 1.00 0.00 N ATOM 1009 CA GLU A 65 -18.155 4.219 -1.298 1.00 0.00 C ATOM 1010 C GLU A 65 -17.662 2.774 -1.113 1.00 0.00 C ATOM 1011 O GLU A 65 -17.232 2.370 -0.029 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.612 4.188 -1.781 1.00 0.00 C ATOM 1013 CG GLU A 65 -20.617 3.554 -0.848 1.00 0.00 C ATOM 1014 CD GLU A 65 -21.885 3.206 -1.586 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.878 2.206 -2.334 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -22.913 3.888 -1.431 1.00 0.00 O ATOM 0 H GLU A 65 -17.993 5.262 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 65 -18.052 4.758 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.928 5.212 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.645 3.656 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.191 2.655 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -20.843 4.238 -0.030 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.706 2.014 -2.192 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.271 0.636 -2.184 1.00 0.00 C ATOM 1025 C LYS A 66 -15.761 0.523 -2.256 1.00 0.00 C ATOM 1026 O LYS A 66 -15.178 -0.427 -1.730 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.969 -0.172 -3.278 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.448 -0.326 -3.021 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.662 -1.243 -1.832 1.00 0.00 C ATOM 1030 CE LYS A 66 -21.094 -1.287 -1.396 1.00 0.00 C ATOM 1031 NZ LYS A 66 -21.564 -0.006 -0.840 1.00 0.00 N ATOM 0 H LYS A 66 -18.045 2.338 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.567 0.201 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.819 0.318 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.510 -1.158 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.898 0.648 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.940 -0.736 -3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.332 -2.250 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.042 -0.907 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.719 -1.559 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.217 -2.069 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.347 -0.181 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.783 0.461 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.894 0.608 -1.612 1.00 0.00 H new ATOM 1045 N THR A 67 -15.135 1.495 -2.901 1.00 0.00 N ATOM 1046 CA THR A 67 -13.695 1.539 -3.044 1.00 0.00 C ATOM 1047 C THR A 67 -13.000 1.531 -1.672 1.00 0.00 C ATOM 1048 O THR A 67 -12.115 0.734 -1.439 1.00 0.00 O ATOM 1049 CB THR A 67 -13.290 2.797 -3.797 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.200 2.976 -4.879 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.890 2.660 -4.355 1.00 0.00 C ATOM 0 H THR A 67 -15.618 2.278 -3.341 1.00 0.00 H new ATOM 0 HA THR A 67 -13.386 0.653 -3.599 1.00 0.00 H new ATOM 0 HB THR A 67 -13.312 3.648 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.858 2.515 -5.673 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.621 3.571 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.187 2.497 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.853 1.813 -5.040 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.461 2.381 -0.754 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.870 2.474 0.586 1.00 0.00 C ATOM 1061 C LYS A 68 -13.000 1.154 1.329 1.00 0.00 C ATOM 1062 O LYS A 68 -12.152 0.801 2.152 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.537 3.590 1.390 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.364 4.979 0.787 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.142 6.046 1.549 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.637 5.749 1.571 1.00 0.00 C ATOM 1067 NZ LYS A 68 -16.419 6.852 2.173 1.00 0.00 N ATOM 0 H LYS A 68 -14.243 3.017 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.811 2.705 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.602 3.374 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.127 3.590 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.306 5.240 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.695 4.965 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.769 6.108 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.971 7.019 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.985 5.573 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.815 4.832 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.429 6.605 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.106 7.005 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.272 7.722 1.623 1.00 0.00 H new ATOM 1081 N ALA A 69 -14.066 0.436 1.041 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.294 -0.856 1.641 1.00 0.00 C ATOM 1083 C ALA A 69 -13.296 -1.875 1.096 1.00 0.00 C ATOM 1084 O ALA A 69 -12.616 -2.557 1.869 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.731 -1.310 1.427 1.00 0.00 C ATOM 0 H ALA A 69 -14.792 0.732 0.389 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.138 -0.773 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.877 -2.287 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.412 -0.589 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.935 -1.380 0.359 1.00 0.00 H new ATOM 1091 N VAL A 70 -13.175 -1.953 -0.232 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.237 -2.892 -0.830 1.00 0.00 C ATOM 1093 C VAL A 70 -10.779 -2.516 -0.530 1.00 0.00 C ATOM 1094 O VAL A 70 -9.981 -3.390 -0.238 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.463 -3.151 -2.360 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.836 -3.739 -2.611 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.285 -1.899 -3.183 1.00 0.00 C ATOM 0 H VAL A 70 -13.704 -1.389 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.449 -3.845 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.703 -3.867 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.969 -3.910 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.930 -4.685 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.599 -3.046 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.452 -2.129 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -13.002 -1.145 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.273 -1.518 -3.051 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.451 -1.213 -0.550 1.00 0.00 N ATOM 1108 CA GLU A 71 -9.094 -0.750 -0.227 1.00 0.00 C ATOM 1109 C GLU A 71 -8.683 -1.229 1.143 1.00 0.00 C ATOM 1110 O GLU A 71 -7.617 -1.812 1.304 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.972 0.777 -0.297 1.00 0.00 C ATOM 1112 CG GLU A 71 -9.066 1.353 -1.691 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.887 2.847 -1.702 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -7.741 3.318 -1.559 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -9.873 3.585 -1.907 1.00 0.00 O ATOM 0 H GLU A 71 -11.105 -0.466 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.427 -1.174 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.756 1.219 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.018 1.072 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.307 0.893 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.035 1.102 -2.122 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.566 -1.028 2.114 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.348 -1.452 3.485 1.00 0.00 C ATOM 1124 C ASN A 72 -9.065 -2.955 3.541 1.00 0.00 C ATOM 1125 O ASN A 72 -8.157 -3.408 4.244 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.597 -1.140 4.311 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.407 -1.400 5.779 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.647 -2.504 6.279 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.014 -0.387 6.485 1.00 0.00 N ATOM 0 H ASN A 72 -10.461 -0.561 1.967 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.488 -0.918 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.872 -0.095 4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.428 -1.742 3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.892 -0.484 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.826 0.508 6.033 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.819 -3.704 2.753 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.701 -5.143 2.707 1.00 0.00 C ATOM 1138 C TYR A 73 -8.360 -5.561 2.097 1.00 0.00 C ATOM 1139 O TYR A 73 -7.664 -6.402 2.657 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.871 -5.752 1.917 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.958 -7.264 1.996 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.673 -7.875 3.015 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.328 -8.079 1.057 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.766 -9.245 3.097 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.422 -9.452 1.132 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.143 -10.030 2.154 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.264 -11.400 2.224 1.00 0.00 O ATOM 0 H TYR A 73 -10.530 -3.325 2.128 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.739 -5.522 3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.804 -5.326 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.779 -5.459 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.166 -7.264 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.758 -7.628 0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.326 -9.703 3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.933 -10.071 0.394 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.767 -11.810 1.486 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.998 -4.972 0.959 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.730 -5.306 0.301 1.00 0.00 C ATOM 1159 C LEU A 74 -5.530 -4.879 1.124 1.00 0.00 C ATOM 1160 O LEU A 74 -4.544 -5.603 1.183 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.612 -4.778 -1.143 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.364 -5.542 -2.264 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.960 -7.003 -2.304 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.867 -5.407 -2.160 1.00 0.00 C ATOM 0 H LEU A 74 -8.556 -4.268 0.475 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.735 -6.394 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.962 -3.746 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.554 -4.758 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.067 -5.074 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.505 -7.510 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.889 -7.079 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.195 -7.472 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.339 -5.962 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.203 -5.806 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.144 -4.355 -2.232 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.622 -3.718 1.769 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.562 -3.250 2.664 1.00 0.00 C ATOM 1178 C ILE A 75 -4.364 -4.263 3.790 1.00 0.00 C ATOM 1179 O ILE A 75 -3.239 -4.634 4.113 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.882 -1.832 3.257 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.814 -0.762 2.152 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.945 -1.476 4.423 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.174 0.638 2.611 1.00 0.00 C ATOM 0 H ILE A 75 -6.417 -3.084 1.690 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.643 -3.158 2.084 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.896 -1.860 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.805 -0.747 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.485 -1.050 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.199 -0.487 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.058 -2.213 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.913 -1.475 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.100 1.327 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.194 0.644 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.488 0.951 3.398 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.466 -4.742 4.335 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.427 -5.712 5.404 1.00 0.00 C ATOM 1197 C GLN A 76 -4.873 -7.051 4.887 1.00 0.00 C ATOM 1198 O GLN A 76 -4.000 -7.655 5.508 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.823 -5.904 5.992 1.00 0.00 C ATOM 1200 CG GLN A 76 -6.837 -6.704 7.274 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.066 -6.015 8.378 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -4.864 -6.222 8.544 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -6.739 -5.187 9.127 1.00 0.00 N ATOM 0 H GLN A 76 -6.406 -4.470 4.049 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.767 -5.344 6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.266 -4.926 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.452 -6.403 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.867 -6.860 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.408 -7.689 7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.734 -5.041 8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.270 -4.685 9.881 1.00 0.00 H new ATOM 1212 N MET A 77 -5.363 -7.477 3.728 1.00 0.00 N ATOM 1213 CA MET A 77 -4.936 -8.723 3.094 1.00 0.00 C ATOM 1214 C MET A 77 -3.429 -8.699 2.810 1.00 0.00 C ATOM 1215 O MET A 77 -2.712 -9.687 3.049 1.00 0.00 O ATOM 1216 CB MET A 77 -5.706 -8.944 1.786 1.00 0.00 C ATOM 1217 CG MET A 77 -5.344 -10.237 1.063 1.00 0.00 C ATOM 1218 SD MET A 77 -6.340 -10.509 -0.411 1.00 0.00 S ATOM 1219 CE MET A 77 -5.628 -12.040 -1.022 1.00 0.00 C ATOM 0 H MET A 77 -6.070 -6.967 3.198 1.00 0.00 H new ATOM 0 HA MET A 77 -5.150 -9.544 3.779 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.774 -8.947 2.002 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.518 -8.102 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.290 -10.211 0.785 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.473 -11.078 1.744 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.141 -12.341 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.569 -11.890 -1.233 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.741 -12.820 -0.269 1.00 0.00 H new ATOM 1229 N ALA A 78 -2.956 -7.563 2.318 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.553 -7.372 2.013 1.00 0.00 C ATOM 1231 C ALA A 78 -0.724 -7.262 3.284 1.00 0.00 C ATOM 1232 O ALA A 78 0.422 -7.685 3.311 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.351 -6.156 1.129 1.00 0.00 C ATOM 0 H ALA A 78 -3.538 -6.749 2.120 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.209 -8.250 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.289 -6.034 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.897 -6.290 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.722 -5.268 1.641 1.00 0.00 H new ATOM 1353 N LYS A 86 -1.380 -12.197 -7.354 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.024 -10.944 -7.316 1.00 0.00 C ATOM 1355 C LYS A 86 -3.495 -11.212 -7.455 1.00 0.00 C ATOM 1356 O LYS A 86 -3.900 -12.169 -8.143 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.584 -9.998 -8.434 1.00 0.00 C ATOM 1358 CG LYS A 86 -0.115 -9.594 -8.437 1.00 0.00 C ATOM 1359 CD LYS A 86 0.764 -10.600 -9.149 1.00 0.00 C ATOM 1360 CE LYS A 86 0.483 -10.595 -10.646 1.00 0.00 C ATOM 1361 NZ LYS A 86 1.271 -11.599 -11.374 1.00 0.00 N ATOM 0 HA LYS A 86 -1.765 -10.450 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.811 -10.469 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.188 -9.093 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.011 -8.621 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.229 -9.480 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.813 -10.365 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.587 -11.596 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.578 -10.781 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.701 -9.606 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.041 -11.553 -12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.285 -11.409 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.046 -12.547 -11.011 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.274 -10.432 -6.800 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.686 -10.532 -6.878 1.00 0.00 C ATOM 1377 C VAL A 87 -6.111 -10.091 -8.269 1.00 0.00 C ATOM 1378 O VAL A 87 -5.702 -9.018 -8.752 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.360 -9.677 -5.777 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.871 -9.698 -5.898 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.944 -10.174 -4.402 1.00 0.00 C ATOM 0 H VAL A 87 -3.942 -9.691 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.003 -11.561 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.028 -8.647 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.308 -9.087 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.164 -9.299 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.229 -10.723 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.423 -9.566 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.248 -11.214 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.861 -10.099 -4.300 1.00 0.00 H new ATOM 1391 N SER A 88 -6.850 -10.940 -8.920 1.00 0.00 N ATOM 1392 CA SER A 88 -7.289 -10.719 -10.265 1.00 0.00 C ATOM 1393 C SER A 88 -8.466 -9.753 -10.297 1.00 0.00 C ATOM 1394 O SER A 88 -8.959 -9.324 -9.243 1.00 0.00 O ATOM 1395 CB SER A 88 -7.701 -12.066 -10.850 1.00 0.00 C ATOM 1396 OG SER A 88 -8.657 -12.708 -10.009 1.00 0.00 O ATOM 0 H SER A 88 -7.171 -11.823 -8.522 1.00 0.00 H new ATOM 0 HA SER A 88 -6.483 -10.277 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.122 -11.923 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.824 -12.703 -10.964 1.00 0.00 H new ATOM 0 HG SER A 88 -8.911 -13.570 -10.401 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.921 -9.415 -11.503 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.108 -8.601 -11.673 1.00 0.00 C ATOM 1404 C GLU A 89 -11.267 -9.324 -11.037 1.00 0.00 C ATOM 1405 O GLU A 89 -11.992 -8.769 -10.232 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.413 -8.426 -13.151 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.350 -7.709 -13.932 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.603 -7.792 -15.411 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.653 -7.325 -15.877 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -8.749 -8.331 -16.144 1.00 0.00 O ATOM 0 H GLU A 89 -8.477 -9.698 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.949 -7.624 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.569 -9.409 -13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.350 -7.878 -13.252 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.315 -6.663 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.376 -8.141 -13.704 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.376 -10.596 -11.375 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.412 -11.466 -10.892 1.00 0.00 C ATOM 1419 C GLN A 90 -12.348 -11.563 -9.377 1.00 0.00 C ATOM 1420 O GLN A 90 -13.365 -11.444 -8.705 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.317 -12.878 -11.522 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.461 -12.951 -13.057 1.00 0.00 C ATOM 1423 CD GLN A 90 -11.194 -12.616 -13.859 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -10.331 -11.844 -13.442 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -11.078 -13.200 -15.012 1.00 0.00 N ATOM 0 H GLN A 90 -10.725 -11.057 -12.011 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.369 -11.037 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.355 -13.312 -11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.089 -13.505 -11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.785 -13.956 -13.326 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.254 -12.268 -13.363 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.806 -13.836 -15.337 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.259 -13.023 -15.593 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.136 -11.736 -8.857 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.924 -11.811 -7.425 1.00 0.00 C ATOM 1436 C GLY A 91 -11.320 -10.531 -6.711 1.00 0.00 C ATOM 1437 O GLY A 91 -11.931 -10.575 -5.639 1.00 0.00 O ATOM 0 H GLY A 91 -10.286 -11.827 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.500 -12.643 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.873 -12.024 -7.227 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.984 -9.392 -7.310 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.343 -8.095 -6.755 1.00 0.00 C ATOM 1443 C LEU A 92 -12.850 -7.919 -6.779 1.00 0.00 C ATOM 1444 O LEU A 92 -13.433 -7.392 -5.849 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.663 -6.947 -7.522 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.991 -5.525 -7.033 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.512 -5.305 -5.605 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.394 -4.483 -7.962 1.00 0.00 C ATOM 0 H LEU A 92 -10.461 -9.344 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.992 -8.062 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.584 -7.089 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.942 -7.022 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.075 -5.415 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.759 -4.291 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.001 -6.020 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.432 -5.446 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.639 -3.486 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.311 -4.602 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.803 -4.612 -8.964 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.471 -8.401 -7.829 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.912 -8.348 -7.966 1.00 0.00 C ATOM 1462 C ILE A 93 -15.588 -9.242 -6.899 1.00 0.00 C ATOM 1463 O ILE A 93 -16.685 -8.941 -6.420 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.348 -8.691 -9.431 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.790 -7.597 -10.374 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.868 -8.792 -9.557 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.955 -7.858 -11.864 1.00 0.00 C ATOM 0 H ILE A 93 -12.993 -8.842 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.254 -7.330 -7.781 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.945 -9.665 -9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.279 -6.653 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.728 -7.469 -10.162 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.133 -9.031 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.237 -9.577 -8.896 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.320 -7.840 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.529 -7.028 -12.428 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.440 -8.781 -12.131 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.015 -7.952 -12.102 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.903 -10.305 -6.489 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.392 -11.139 -5.396 1.00 0.00 C ATOM 1481 C GLU A 94 -15.326 -10.366 -4.078 1.00 0.00 C ATOM 1482 O GLU A 94 -16.210 -10.473 -3.227 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.612 -12.443 -5.280 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.667 -13.284 -6.527 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.109 -14.657 -6.324 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -14.879 -15.574 -5.949 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -12.888 -14.868 -6.539 1.00 0.00 O ATOM 0 H GLU A 94 -14.016 -10.607 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.428 -11.397 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.571 -12.216 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.006 -13.020 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -15.701 -13.363 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.112 -12.785 -7.321 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.290 -9.562 -3.935 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.143 -8.714 -2.766 1.00 0.00 C ATOM 1496 C ILE A 95 -15.190 -7.586 -2.825 1.00 0.00 C ATOM 1497 O ILE A 95 -15.769 -7.185 -1.812 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.702 -8.121 -2.662 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.678 -9.264 -2.640 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.569 -7.263 -1.408 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.233 -8.821 -2.697 1.00 0.00 C ATOM 0 H ILE A 95 -13.535 -9.478 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.306 -9.320 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.512 -7.488 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.828 -9.850 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.874 -9.925 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.559 -6.857 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.287 -6.444 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.766 -7.874 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.583 -9.696 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.060 -8.262 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.013 -8.186 -1.839 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.452 -7.124 -4.023 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.430 -6.090 -4.260 1.00 0.00 C ATOM 1515 C LEU A 96 -17.839 -6.572 -3.887 1.00 0.00 C ATOM 1516 O LEU A 96 -18.586 -5.849 -3.244 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.382 -5.625 -5.721 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.274 -4.432 -6.085 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.836 -3.173 -5.337 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.258 -4.200 -7.588 1.00 0.00 C ATOM 0 H LEU A 96 -14.989 -7.458 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.186 -5.240 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.351 -5.368 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.659 -6.466 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.295 -4.662 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.485 -2.342 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.904 -3.346 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.806 -2.933 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.896 -3.350 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.238 -3.994 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.629 -5.089 -8.097 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.190 -7.802 -4.262 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.521 -8.323 -3.937 1.00 0.00 C ATOM 1534 C LYS A 97 -19.687 -8.581 -2.432 1.00 0.00 C ATOM 1535 O LYS A 97 -20.774 -8.359 -1.877 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.898 -9.582 -4.749 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.013 -10.789 -4.501 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.537 -12.051 -5.177 1.00 0.00 C ATOM 1539 CE LYS A 97 -19.599 -11.920 -6.687 1.00 0.00 C ATOM 1540 NZ LYS A 97 -20.130 -13.142 -7.318 1.00 0.00 N ATOM 0 H LYS A 97 -17.589 -8.444 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.218 -7.537 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.929 -9.851 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.864 -9.336 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.007 -10.578 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.934 -10.962 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.896 -12.892 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.532 -12.277 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.228 -11.070 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.602 -11.713 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.158 -13.016 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.516 -13.948 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.091 -13.325 -6.966 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.616 -9.008 -1.759 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.716 -9.288 -0.337 1.00 0.00 C ATOM 1556 C LYS A 98 -18.920 -7.998 0.448 1.00 0.00 C ATOM 1557 O LYS A 98 -19.712 -7.967 1.391 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.533 -10.144 0.203 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.160 -9.481 0.149 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.020 -10.456 0.481 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.080 -10.972 1.914 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.011 -11.964 2.200 1.00 0.00 N ATOM 0 H LYS A 98 -17.695 -9.162 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.599 -9.910 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.746 -10.414 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.491 -11.073 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.000 -9.066 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.136 -8.647 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.060 -11.301 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.064 -9.958 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.989 -10.133 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.054 -11.428 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.152 -12.362 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.049 -12.728 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.083 -11.497 2.154 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.271 -6.913 0.014 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.444 -5.618 0.673 1.00 0.00 C ATOM 1578 C VAL A 99 -19.709 -4.911 0.168 1.00 0.00 C ATOM 1579 O VAL A 99 -20.213 -3.987 0.812 1.00 0.00 O ATOM 1580 CB VAL A 99 -17.214 -4.672 0.532 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.958 -5.318 1.084 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -17.003 -4.226 -0.903 1.00 0.00 C ATOM 0 H VAL A 99 -17.630 -6.906 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.546 -5.841 1.735 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.428 -3.782 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -15.117 -4.634 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -16.101 -5.547 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.752 -6.239 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.135 -3.568 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.836 -5.099 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.886 -3.690 -1.251 1.00 0.00 H new ATOM 1592 N SER A 100 -20.198 -5.341 -0.990 1.00 0.00 N ATOM 1593 CA SER A 100 -21.432 -4.831 -1.561 1.00 0.00 C ATOM 1594 C SER A 100 -22.601 -5.114 -0.610 1.00 0.00 C ATOM 1595 O SER A 100 -23.469 -4.267 -0.409 1.00 0.00 O ATOM 1596 CB SER A 100 -21.681 -5.471 -2.952 1.00 0.00 C ATOM 1597 OG SER A 100 -22.824 -4.939 -3.626 1.00 0.00 O ATOM 0 H SER A 100 -19.745 -6.056 -1.559 1.00 0.00 H new ATOM 0 HA SER A 100 -21.349 -3.752 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.799 -5.322 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.808 -6.547 -2.831 1.00 0.00 H new ATOM 0 HG SER A 100 -22.926 -5.380 -4.495 1.00 0.00 H new