USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 794 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 Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 17 TYR OH : rot 175:sc= 0.34 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -72:sc= 0.638 USER MOD Single : A 25 HIS : no HD1:sc= -0.0825 X(o=-0.083,f=-0.054) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= 0.0384 K(o=0.038,f=-6!) USER MOD Single : A 45 THR OG1 : rot 65:sc= 1.23 USER MOD Single : B 1 ASP N :NH3+ -176:sc= -0.0122 (180deg=-0.0277) USER MOD Single : B 2 TYR OH : rot 180:sc=-0.00526 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 1.5 K(o=1.5,f=-0.068) USER MOD Single : B 17 TYR OH : rot -167:sc= 0.848 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 121:sc= -0.112 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 26 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 136:sc= 1.16 (180deg=0.245) USER MOD Single : B 39 HIS : +bothHN:sc= 0.751 K(o=0.75,f=-6.1!) USER MOD Single : B 45 THR OG1 : rot 68:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.412 9.153 -9.213 1.00 0.00 N ATOM 20 CA TYR A 2 3.009 7.896 -8.563 1.00 0.00 C ATOM 21 C TYR A 2 2.142 7.028 -9.468 1.00 0.00 C ATOM 22 O TYR A 2 2.261 5.811 -9.460 1.00 0.00 O ATOM 23 CB TYR A 2 2.186 8.169 -7.294 1.00 0.00 C ATOM 24 CG TYR A 2 2.664 9.317 -6.441 1.00 0.00 C ATOM 25 CD1 TYR A 2 4.015 9.400 -6.057 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.758 10.328 -6.076 1.00 0.00 C ATOM 27 CE1 TYR A 2 4.460 10.506 -5.316 1.00 0.00 C ATOM 28 CE2 TYR A 2 2.200 11.438 -5.336 1.00 0.00 C ATOM 29 CZ TYR A 2 3.559 11.534 -4.956 1.00 0.00 C ATOM 30 OH TYR A 2 4.010 12.618 -4.266 1.00 0.00 O ATOM 0 HA TYR A 2 3.939 7.378 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.154 8.363 -7.587 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.180 7.265 -6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.706 8.617 -6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.720 10.252 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.496 10.572 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.504 12.216 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 2 3.265 13.232 -4.098 1.00 0.00 H new ATOM 40 N LEU A 3 1.268 7.664 -10.251 1.00 0.00 N ATOM 41 CA LEU A 3 0.282 7.008 -11.107 1.00 0.00 C ATOM 42 C LEU A 3 0.975 6.202 -12.214 1.00 0.00 C ATOM 43 O LEU A 3 0.608 5.055 -12.468 1.00 0.00 O ATOM 44 CB LEU A 3 -0.669 8.065 -11.691 1.00 0.00 C ATOM 45 CG LEU A 3 -1.402 8.890 -10.614 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.178 10.017 -11.288 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.386 8.052 -9.788 1.00 0.00 C ATOM 0 H LEU A 3 1.227 8.682 -10.307 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.302 6.304 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.101 8.740 -12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.406 7.570 -12.324 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.641 9.276 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.698 10.604 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.487 10.659 -11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.904 9.594 -11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.871 8.687 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.140 7.622 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.847 7.251 -9.282 1.00 0.00 H new ATOM 59 N ARG A 4 2.035 6.764 -12.816 1.00 0.00 N ATOM 60 CA ARG A 4 2.908 6.041 -13.749 1.00 0.00 C ATOM 61 C ARG A 4 3.616 4.887 -13.045 1.00 0.00 C ATOM 62 O ARG A 4 3.597 3.777 -13.561 1.00 0.00 O ATOM 63 CB ARG A 4 3.921 7.007 -14.399 1.00 0.00 C ATOM 64 CG ARG A 4 4.719 6.368 -15.552 1.00 0.00 C ATOM 65 CD ARG A 4 3.865 6.187 -16.814 1.00 0.00 C ATOM 66 NE ARG A 4 4.575 5.392 -17.838 1.00 0.00 N ATOM 67 CZ ARG A 4 4.260 4.188 -18.291 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.245 3.508 -17.833 1.00 0.00 N ATOM 69 NH2 ARG A 4 4.970 3.633 -19.228 1.00 0.00 N ATOM 0 H ARG A 4 2.310 7.735 -12.668 1.00 0.00 H new ATOM 0 HA ARG A 4 2.292 5.616 -14.541 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.389 7.881 -14.775 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.616 7.360 -13.637 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.582 6.992 -15.785 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.104 5.399 -15.233 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.929 5.694 -16.553 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.608 7.164 -17.224 1.00 0.00 H new ATOM 0 HE ARG A 4 5.406 5.822 -18.244 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.658 3.901 -17.097 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.038 2.583 -18.211 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.774 4.125 -19.618 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.723 2.706 -19.573 1.00 0.00 H new ATOM 83 N GLU A 5 4.189 5.116 -11.864 1.00 0.00 N ATOM 84 CA GLU A 5 4.884 4.070 -11.092 1.00 0.00 C ATOM 85 C GLU A 5 3.949 2.905 -10.697 1.00 0.00 C ATOM 86 O GLU A 5 4.346 1.737 -10.736 1.00 0.00 O ATOM 87 CB GLU A 5 5.570 4.718 -9.877 1.00 0.00 C ATOM 88 CG GLU A 5 6.530 3.758 -9.154 1.00 0.00 C ATOM 89 CD GLU A 5 7.389 4.429 -8.056 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.412 5.678 -7.927 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.089 3.692 -7.319 1.00 0.00 O ATOM 0 H GLU A 5 4.188 6.029 -11.410 1.00 0.00 H new ATOM 0 HA GLU A 5 5.647 3.614 -11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.122 5.599 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.809 5.061 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.950 2.952 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.192 3.302 -9.890 1.00 0.00 H new ATOM 98 N LEU A 6 2.685 3.218 -10.395 1.00 0.00 N ATOM 99 CA LEU A 6 1.583 2.290 -10.141 1.00 0.00 C ATOM 100 C LEU A 6 1.237 1.460 -11.382 1.00 0.00 C ATOM 101 O LEU A 6 1.444 0.247 -11.383 1.00 0.00 O ATOM 102 CB LEU A 6 0.373 3.106 -9.623 1.00 0.00 C ATOM 103 CG LEU A 6 0.153 2.963 -8.110 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.364 3.328 -7.244 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.001 3.856 -7.655 1.00 0.00 C ATOM 0 H LEU A 6 2.387 4.190 -10.317 1.00 0.00 H new ATOM 0 HA LEU A 6 1.880 1.566 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.522 4.158 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.527 2.783 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.054 1.902 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.112 3.196 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.203 2.681 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.639 4.367 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.146 3.744 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.768 4.896 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.913 3.565 -8.176 1.00 0.00 H new ATOM 117 N LEU A 7 0.747 2.089 -12.454 1.00 0.00 N ATOM 118 CA LEU A 7 0.363 1.385 -13.683 1.00 0.00 C ATOM 119 C LEU A 7 1.519 0.617 -14.340 1.00 0.00 C ATOM 120 O LEU A 7 1.312 -0.515 -14.784 1.00 0.00 O ATOM 121 CB LEU A 7 -0.281 2.335 -14.712 1.00 0.00 C ATOM 122 CG LEU A 7 -1.785 2.571 -14.469 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.047 3.857 -13.697 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.542 2.645 -15.794 1.00 0.00 C ATOM 0 H LEU A 7 0.605 3.098 -12.496 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.375 0.648 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.238 3.293 -14.686 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.142 1.924 -15.712 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.137 1.726 -13.877 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.120 3.981 -13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.551 3.807 -12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.658 4.705 -14.260 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.601 2.812 -15.599 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.149 3.467 -16.392 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.416 1.709 -16.338 1.00 0.00 H new ATOM 136 N LYS A 8 2.736 1.183 -14.375 1.00 0.00 N ATOM 137 CA LYS A 8 3.918 0.511 -14.941 1.00 0.00 C ATOM 138 C LYS A 8 4.375 -0.722 -14.128 1.00 0.00 C ATOM 139 O LYS A 8 5.228 -1.474 -14.601 1.00 0.00 O ATOM 140 CB LYS A 8 5.034 1.556 -15.124 1.00 0.00 C ATOM 141 CG LYS A 8 6.066 1.166 -16.192 1.00 0.00 C ATOM 142 CD LYS A 8 7.321 2.048 -16.115 1.00 0.00 C ATOM 143 CE LYS A 8 8.569 1.201 -16.372 1.00 0.00 C ATOM 144 NZ LYS A 8 8.708 0.794 -17.797 1.00 0.00 N ATOM 0 H LYS A 8 2.929 2.117 -14.013 1.00 0.00 H new ATOM 0 HA LYS A 8 3.650 0.097 -15.913 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.586 2.512 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.545 1.702 -14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.347 0.121 -16.063 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.618 1.256 -17.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.258 2.851 -16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.386 2.519 -15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.453 1.764 -16.072 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.532 0.309 -15.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.570 0.223 -17.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.880 0.232 -18.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.772 1.642 -18.396 1.00 0.00 H new ATOM 158 N GLY A 9 3.801 -0.972 -12.942 1.00 0.00 N ATOM 159 CA GLY A 9 4.153 -2.089 -12.069 1.00 0.00 C ATOM 160 C GLY A 9 3.040 -3.021 -11.618 1.00 0.00 C ATOM 161 O GLY A 9 3.299 -4.206 -11.416 1.00 0.00 O ATOM 0 H GLY A 9 3.061 -0.385 -12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.904 -2.690 -12.582 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.627 -1.679 -11.177 1.00 0.00 H new ATOM 165 N GLU A 10 1.799 -2.557 -11.527 1.00 0.00 N ATOM 166 CA GLU A 10 0.663 -3.466 -11.292 1.00 0.00 C ATOM 167 C GLU A 10 0.548 -4.552 -12.362 1.00 0.00 C ATOM 168 O GLU A 10 0.244 -5.702 -12.029 1.00 0.00 O ATOM 169 CB GLU A 10 -0.661 -2.692 -11.257 1.00 0.00 C ATOM 170 CG GLU A 10 -0.914 -1.922 -9.958 1.00 0.00 C ATOM 171 CD GLU A 10 -1.684 -2.813 -8.990 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.272 -3.883 -8.504 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.901 -2.742 -8.724 1.00 0.00 O ATOM 0 H GLU A 10 1.547 -1.572 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 10 0.856 -3.939 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.678 -1.989 -12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.481 -3.393 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.032 -1.614 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.480 -1.014 -10.164 1.00 0.00 H new ATOM 180 N LEU A 11 0.820 -4.235 -13.636 1.00 0.00 N ATOM 181 CA LEU A 11 0.633 -5.229 -14.694 1.00 0.00 C ATOM 182 C LEU A 11 1.614 -6.410 -14.595 1.00 0.00 C ATOM 183 O LEU A 11 1.300 -7.545 -14.962 1.00 0.00 O ATOM 184 CB LEU A 11 0.593 -4.487 -16.033 1.00 0.00 C ATOM 185 CG LEU A 11 1.928 -4.417 -16.776 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.143 -5.616 -17.706 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.979 -3.143 -17.611 1.00 0.00 C ATOM 0 H LEU A 11 1.160 -3.326 -13.950 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.323 -5.741 -14.581 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.139 -4.973 -16.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.239 -3.471 -15.857 1.00 0.00 H new ATOM 0 HG LEU A 11 2.716 -4.426 -16.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.105 -5.518 -18.210 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.131 -6.536 -17.122 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.346 -5.648 -18.449 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.930 -3.093 -18.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.162 -3.148 -18.332 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.881 -2.276 -16.958 1.00 0.00 H new ATOM 199 N GLN A 12 2.779 -6.137 -14.008 1.00 0.00 N ATOM 200 CA GLN A 12 3.854 -7.073 -13.735 1.00 0.00 C ATOM 201 C GLN A 12 3.422 -8.162 -12.733 1.00 0.00 C ATOM 202 O GLN A 12 3.948 -9.276 -12.765 1.00 0.00 O ATOM 203 CB GLN A 12 5.065 -6.258 -13.239 1.00 0.00 C ATOM 204 CG GLN A 12 6.370 -7.056 -13.367 1.00 0.00 C ATOM 205 CD GLN A 12 7.572 -6.313 -12.784 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.969 -5.249 -13.242 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.208 -6.846 -11.760 1.00 0.00 N ATOM 0 H GLN A 12 3.005 -5.194 -13.693 1.00 0.00 H new ATOM 0 HA GLN A 12 4.126 -7.613 -14.642 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.144 -5.335 -13.813 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.912 -5.973 -12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.258 -8.013 -12.858 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.557 -7.274 -14.419 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.890 -7.732 -11.367 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.018 -6.373 -11.361 1.00 0.00 H new ATOM 216 N GLY A 13 2.419 -7.873 -11.891 1.00 0.00 N ATOM 217 CA GLY A 13 1.824 -8.852 -10.983 1.00 0.00 C ATOM 218 C GLY A 13 0.815 -9.751 -11.696 1.00 0.00 C ATOM 219 O GLY A 13 0.871 -10.968 -11.522 1.00 0.00 O ATOM 0 H GLY A 13 1.998 -6.946 -11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.611 -9.466 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.330 -8.332 -10.162 1.00 0.00 H new ATOM 223 N ILE A 14 -0.049 -9.182 -12.558 1.00 0.00 N ATOM 224 CA ILE A 14 -1.120 -9.953 -13.234 1.00 0.00 C ATOM 225 C ILE A 14 -0.527 -11.138 -13.985 1.00 0.00 C ATOM 226 O ILE A 14 -0.996 -12.273 -13.864 1.00 0.00 O ATOM 227 CB ILE A 14 -1.939 -9.120 -14.254 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.559 -7.846 -13.660 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.066 -9.987 -14.865 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.087 -6.867 -14.714 1.00 0.00 C ATOM 0 H ILE A 14 -0.030 -8.193 -12.805 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.790 -10.273 -12.436 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.229 -8.805 -15.018 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.377 -8.126 -12.996 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.811 -7.340 -13.049 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.635 -9.393 -15.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.629 -10.846 -15.374 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.729 -10.334 -14.072 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.510 -5.993 -14.219 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.269 -6.556 -15.364 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.858 -7.355 -15.310 1.00 0.00 H new ATOM 242 N LYS A 15 0.515 -10.857 -14.770 1.00 0.00 N ATOM 243 CA LYS A 15 1.057 -11.843 -15.695 1.00 0.00 C ATOM 244 C LYS A 15 1.723 -13.010 -14.962 1.00 0.00 C ATOM 245 O LYS A 15 1.531 -14.174 -15.317 1.00 0.00 O ATOM 246 CB LYS A 15 2.012 -11.124 -16.647 1.00 0.00 C ATOM 247 CG LYS A 15 2.378 -12.032 -17.825 1.00 0.00 C ATOM 248 CD LYS A 15 3.708 -11.606 -18.433 1.00 0.00 C ATOM 249 CE LYS A 15 3.591 -10.425 -19.402 1.00 0.00 C ATOM 250 NZ LYS A 15 4.845 -10.256 -20.184 1.00 0.00 N ATOM 0 H LYS A 15 0.996 -9.957 -14.781 1.00 0.00 H new ATOM 0 HA LYS A 15 0.250 -12.295 -16.271 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.548 -10.209 -17.016 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.915 -10.830 -16.112 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.440 -13.067 -17.489 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.595 -11.989 -18.582 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.396 -11.340 -17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.146 -12.454 -18.959 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.753 -10.587 -20.080 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.378 -9.512 -18.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.743 -9.450 -20.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.638 -10.079 -19.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.032 -11.120 -20.731 1.00 0.00 H new ATOM 264 N GLN A 16 2.450 -12.700 -13.893 1.00 0.00 N ATOM 265 CA GLN A 16 3.209 -13.683 -13.122 1.00 0.00 C ATOM 266 C GLN A 16 2.324 -14.620 -12.294 1.00 0.00 C ATOM 267 O GLN A 16 2.648 -15.799 -12.139 1.00 0.00 O ATOM 268 CB GLN A 16 4.230 -12.940 -12.253 1.00 0.00 C ATOM 269 CG GLN A 16 5.615 -12.876 -12.910 1.00 0.00 C ATOM 270 CD GLN A 16 5.682 -12.176 -14.271 1.00 0.00 C ATOM 271 OE1 GLN A 16 5.159 -12.632 -15.279 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.383 -11.069 -14.375 1.00 0.00 N ATOM 0 H GLN A 16 2.531 -11.749 -13.533 1.00 0.00 H new ATOM 0 HA GLN A 16 3.728 -14.340 -13.820 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.873 -11.928 -12.062 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.311 -13.437 -11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.295 -12.366 -12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.986 -13.894 -13.029 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.829 -10.668 -13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.481 -10.611 -15.281 1.00 0.00 H new ATOM 281 N TYR A 17 1.162 -14.143 -11.846 1.00 0.00 N ATOM 282 CA TYR A 17 0.155 -14.985 -11.207 1.00 0.00 C ATOM 283 C TYR A 17 -0.387 -16.087 -12.118 1.00 0.00 C ATOM 284 O TYR A 17 -0.754 -17.156 -11.624 1.00 0.00 O ATOM 285 CB TYR A 17 -1.012 -14.098 -10.762 1.00 0.00 C ATOM 286 CG TYR A 17 -0.803 -13.307 -9.488 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.334 -13.917 -8.304 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.135 -11.941 -9.489 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.158 -13.139 -7.142 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.944 -11.161 -8.339 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.458 -11.759 -7.161 1.00 0.00 C ATOM 292 OH TYR A 17 -0.394 -11.015 -6.027 1.00 0.00 O ATOM 0 H TYR A 17 0.894 -13.161 -11.917 1.00 0.00 H new ATOM 0 HA TYR A 17 0.639 -15.479 -10.364 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.236 -13.398 -11.567 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.892 -14.729 -10.633 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.111 -14.974 -8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.540 -11.489 -10.382 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.207 -13.599 -6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.169 -10.105 -8.357 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.548 -10.072 -6.245 1.00 0.00 H new ATOM 302 N ARG A 18 -0.425 -15.859 -13.439 1.00 0.00 N ATOM 303 CA ARG A 18 -0.973 -16.861 -14.374 1.00 0.00 C ATOM 304 C ARG A 18 -0.086 -18.103 -14.517 1.00 0.00 C ATOM 305 O ARG A 18 -0.579 -19.169 -14.881 1.00 0.00 O ATOM 306 CB ARG A 18 -1.319 -16.238 -15.738 1.00 0.00 C ATOM 307 CG ARG A 18 -2.843 -16.104 -15.904 1.00 0.00 C ATOM 308 CD ARG A 18 -3.244 -15.538 -17.271 1.00 0.00 C ATOM 309 NE ARG A 18 -3.016 -16.505 -18.366 1.00 0.00 N ATOM 310 CZ ARG A 18 -3.229 -16.299 -19.654 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.661 -15.157 -20.111 1.00 0.00 N ATOM 312 NH2 ARG A 18 -3.014 -17.248 -20.521 1.00 0.00 N ATOM 0 H ARG A 18 -0.089 -15.004 -13.882 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.904 -17.212 -13.929 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.851 -15.257 -15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.914 -16.856 -16.539 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.306 -17.082 -15.771 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.234 -15.457 -15.119 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.297 -15.257 -17.251 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.675 -14.629 -17.467 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.659 -17.423 -18.101 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.846 -14.387 -19.468 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.814 -15.033 -21.112 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.679 -18.159 -20.207 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.181 -17.080 -21.513 1.00 0.00 H new ATOM 326 N GLU A 19 1.202 -17.986 -14.193 1.00 0.00 N ATOM 327 CA GLU A 19 2.144 -19.112 -14.172 1.00 0.00 C ATOM 328 C GLU A 19 2.025 -19.972 -12.902 1.00 0.00 C ATOM 329 O GLU A 19 2.197 -21.187 -12.949 1.00 0.00 O ATOM 330 CB GLU A 19 3.570 -18.549 -14.249 1.00 0.00 C ATOM 331 CG GLU A 19 4.539 -19.542 -14.906 1.00 0.00 C ATOM 332 CD GLU A 19 5.967 -18.968 -14.993 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.250 -18.167 -15.918 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.824 -19.328 -14.149 1.00 0.00 O ATOM 0 H GLU A 19 1.629 -17.096 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 19 1.910 -19.753 -15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.563 -17.618 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.921 -18.308 -13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.553 -20.470 -14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.184 -19.790 -15.906 1.00 0.00 H new ATOM 341 N ALA A 20 1.735 -19.350 -11.755 1.00 0.00 N ATOM 342 CA ALA A 20 1.885 -19.957 -10.428 1.00 0.00 C ATOM 343 C ALA A 20 0.902 -21.104 -10.149 1.00 0.00 C ATOM 344 O ALA A 20 1.181 -21.973 -9.320 1.00 0.00 O ATOM 345 CB ALA A 20 1.766 -18.840 -9.383 1.00 0.00 C ATOM 0 H ALA A 20 1.383 -18.393 -11.722 1.00 0.00 H new ATOM 0 HA ALA A 20 2.866 -20.430 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.874 -19.263 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.549 -18.100 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.790 -18.362 -9.471 1.00 0.00 H new ATOM 351 N LEU A 21 -0.223 -21.163 -10.867 1.00 0.00 N ATOM 352 CA LEU A 21 -1.174 -22.278 -10.807 1.00 0.00 C ATOM 353 C LEU A 21 -0.548 -23.600 -11.272 1.00 0.00 C ATOM 354 O LEU A 21 -1.040 -24.653 -10.878 1.00 0.00 O ATOM 355 CB LEU A 21 -2.444 -21.883 -11.577 1.00 0.00 C ATOM 356 CG LEU A 21 -3.688 -22.732 -11.234 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.936 -21.850 -11.162 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.960 -23.823 -12.273 1.00 0.00 C ATOM 0 H LEU A 21 -0.503 -20.427 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.456 -22.469 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.667 -20.836 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.247 -21.965 -12.646 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.476 -23.198 -10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.803 -22.465 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.802 -21.092 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.094 -21.364 -12.125 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.845 -24.389 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.126 -23.364 -13.248 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.103 -24.494 -12.330 1.00 0.00 H new ATOM 370 N GLU A 22 0.577 -23.577 -12.001 1.00 0.00 N ATOM 371 CA GLU A 22 1.313 -24.820 -12.319 1.00 0.00 C ATOM 372 C GLU A 22 1.894 -25.541 -11.095 1.00 0.00 C ATOM 373 O GLU A 22 2.062 -26.763 -11.127 1.00 0.00 O ATOM 374 CB GLU A 22 2.471 -24.539 -13.287 1.00 0.00 C ATOM 375 CG GLU A 22 2.099 -24.733 -14.762 1.00 0.00 C ATOM 376 CD GLU A 22 2.007 -26.229 -15.133 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.938 -26.852 -14.919 1.00 0.00 O ATOM 378 OE2 GLU A 22 3.002 -26.794 -15.650 1.00 0.00 O ATOM 0 H GLU A 22 0.996 -22.728 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 22 0.565 -25.472 -12.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.817 -23.516 -13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.306 -25.196 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.144 -24.248 -14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.843 -24.246 -15.393 1.00 0.00 H new ATOM 385 N TYR A 23 2.170 -24.805 -10.018 1.00 0.00 N ATOM 386 CA TYR A 23 2.823 -25.331 -8.814 1.00 0.00 C ATOM 387 C TYR A 23 1.931 -25.234 -7.569 1.00 0.00 C ATOM 388 O TYR A 23 1.961 -26.127 -6.720 1.00 0.00 O ATOM 389 CB TYR A 23 4.135 -24.571 -8.604 1.00 0.00 C ATOM 390 CG TYR A 23 5.205 -24.848 -9.643 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.951 -26.041 -9.574 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.469 -23.911 -10.661 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.964 -26.298 -10.518 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.481 -24.165 -11.608 1.00 0.00 C ATOM 395 CZ TYR A 23 7.234 -25.358 -11.537 1.00 0.00 C ATOM 396 OH TYR A 23 8.218 -25.594 -12.449 1.00 0.00 O ATOM 0 H TYR A 23 1.944 -23.812 -9.954 1.00 0.00 H new ATOM 0 HA TYR A 23 3.019 -26.393 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.922 -23.502 -8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.530 -24.822 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.746 -26.760 -8.795 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.896 -22.997 -10.716 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.534 -27.214 -10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.681 -23.447 -12.389 1.00 0.00 H new ATOM 0 HH TYR A 23 8.267 -24.845 -13.079 1.00 0.00 H new ATOM 406 N THR A 24 1.095 -24.196 -7.475 1.00 0.00 N ATOM 407 CA THR A 24 0.142 -24.018 -6.367 1.00 0.00 C ATOM 408 C THR A 24 -1.164 -24.794 -6.557 1.00 0.00 C ATOM 409 O THR A 24 -1.756 -25.214 -5.564 1.00 0.00 O ATOM 410 CB THR A 24 -0.220 -22.543 -6.157 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.896 -22.067 -7.291 1.00 0.00 O ATOM 412 CG2 THR A 24 0.975 -21.626 -5.896 1.00 0.00 C ATOM 0 H THR A 24 1.057 -23.449 -8.168 1.00 0.00 H new ATOM 0 HA THR A 24 0.663 -24.412 -5.495 1.00 0.00 H new ATOM 0 HB THR A 24 -0.840 -22.516 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.262 -21.968 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.625 -20.603 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.496 -21.955 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.657 -21.666 -6.746 1.00 0.00 H new ATOM 420 N HIS A 25 -1.625 -24.986 -7.804 1.00 0.00 N ATOM 421 CA HIS A 25 -2.941 -25.558 -8.170 1.00 0.00 C ATOM 422 C HIS A 25 -4.100 -25.104 -7.246 1.00 0.00 C ATOM 423 O HIS A 25 -4.874 -25.925 -6.747 1.00 0.00 O ATOM 424 CB HIS A 25 -2.806 -27.089 -8.328 1.00 0.00 C ATOM 425 CG HIS A 25 -2.182 -27.498 -9.643 1.00 0.00 C ATOM 426 ND1 HIS A 25 -2.878 -27.876 -10.780 1.00 0.00 N ATOM 427 CD2 HIS A 25 -0.850 -27.519 -9.953 1.00 0.00 C ATOM 428 CE1 HIS A 25 -1.984 -28.116 -11.761 1.00 0.00 C ATOM 429 NE2 HIS A 25 -0.744 -27.914 -11.275 1.00 0.00 N ATOM 0 H HIS A 25 -1.070 -24.738 -8.623 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.239 -25.151 -9.136 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.203 -27.481 -7.509 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.792 -27.545 -8.244 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.034 -27.273 -9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.223 -28.420 -12.769 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.126 -28.032 -11.794 1.00 0.00 H new ATOM 438 N ASN A 26 -4.200 -23.794 -6.977 1.00 0.00 N ATOM 439 CA ASN A 26 -5.077 -23.216 -5.943 1.00 0.00 C ATOM 440 C ASN A 26 -6.167 -22.277 -6.514 1.00 0.00 C ATOM 441 O ASN A 26 -5.895 -21.535 -7.463 1.00 0.00 O ATOM 442 CB ASN A 26 -4.196 -22.459 -4.920 1.00 0.00 C ATOM 443 CG ASN A 26 -4.130 -23.168 -3.581 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.812 -22.819 -2.631 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.324 -24.190 -3.468 1.00 0.00 N ATOM 0 H ASN A 26 -3.662 -23.090 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.613 -24.036 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.188 -22.351 -5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.592 -21.453 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.264 -24.697 -2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.755 -24.481 -4.263 1.00 0.00 H new ATOM 452 N PRO A 27 -7.365 -22.211 -5.890 1.00 0.00 N ATOM 453 CA PRO A 27 -8.439 -21.284 -6.280 1.00 0.00 C ATOM 454 C PRO A 27 -8.159 -19.822 -5.891 1.00 0.00 C ATOM 455 O PRO A 27 -8.868 -18.917 -6.331 1.00 0.00 O ATOM 456 CB PRO A 27 -9.691 -21.808 -5.564 1.00 0.00 C ATOM 457 CG PRO A 27 -9.128 -22.426 -4.287 1.00 0.00 C ATOM 458 CD PRO A 27 -7.804 -23.024 -4.758 1.00 0.00 C ATOM 0 HA PRO A 27 -8.545 -21.261 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.396 -21.006 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.222 -22.544 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.980 -21.679 -3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.793 -23.187 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.064 -23.008 -3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.931 -24.065 -5.054 1.00 0.00 H new ATOM 466 N VAL A 28 -7.134 -19.562 -5.071 1.00 0.00 N ATOM 467 CA VAL A 28 -6.781 -18.229 -4.578 1.00 0.00 C ATOM 468 C VAL A 28 -6.227 -17.354 -5.702 1.00 0.00 C ATOM 469 O VAL A 28 -6.568 -16.178 -5.788 1.00 0.00 O ATOM 470 CB VAL A 28 -5.787 -18.333 -3.408 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.827 -17.050 -2.590 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.077 -19.475 -2.420 1.00 0.00 C ATOM 0 H VAL A 28 -6.512 -20.293 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.688 -17.750 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.822 -18.521 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.123 -17.125 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.554 -16.206 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.833 -16.899 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.326 -19.472 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.066 -19.335 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.045 -20.429 -2.947 1.00 0.00 H new ATOM 482 N LEU A 29 -5.454 -17.920 -6.634 1.00 0.00 N ATOM 483 CA LEU A 29 -4.974 -17.214 -7.826 1.00 0.00 C ATOM 484 C LEU A 29 -6.131 -16.726 -8.713 1.00 0.00 C ATOM 485 O LEU A 29 -6.105 -15.588 -9.181 1.00 0.00 O ATOM 486 CB LEU A 29 -4.037 -18.152 -8.600 1.00 0.00 C ATOM 487 CG LEU A 29 -2.713 -18.456 -7.887 1.00 0.00 C ATOM 488 CD1 LEU A 29 -1.951 -19.486 -8.706 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.817 -17.232 -7.717 1.00 0.00 C ATOM 0 H LEU A 29 -5.141 -18.889 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.432 -16.320 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.558 -19.091 -8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.819 -17.707 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.965 -18.817 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.006 -19.715 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.546 -20.396 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.755 -19.087 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.899 -17.521 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.573 -16.821 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.339 -16.478 -7.127 1.00 0.00 H new ATOM 501 N ALA A 30 -7.193 -17.532 -8.833 1.00 0.00 N ATOM 502 CA ALA A 30 -8.464 -17.182 -9.479 1.00 0.00 C ATOM 503 C ALA A 30 -9.298 -16.117 -8.717 1.00 0.00 C ATOM 504 O ALA A 30 -10.453 -15.868 -9.069 1.00 0.00 O ATOM 505 CB ALA A 30 -9.254 -18.479 -9.721 1.00 0.00 C ATOM 0 H ALA A 30 -7.190 -18.484 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.237 -16.696 -10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.204 -18.242 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.677 -19.142 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.442 -18.973 -8.768 1.00 0.00 H new ATOM 511 N LYS A 31 -8.716 -15.469 -7.695 1.00 0.00 N ATOM 512 CA LYS A 31 -9.258 -14.332 -6.945 1.00 0.00 C ATOM 513 C LYS A 31 -8.241 -13.186 -6.829 1.00 0.00 C ATOM 514 O LYS A 31 -8.598 -12.036 -7.061 1.00 0.00 O ATOM 515 CB LYS A 31 -9.761 -14.841 -5.581 1.00 0.00 C ATOM 516 CG LYS A 31 -10.719 -13.854 -4.897 1.00 0.00 C ATOM 517 CD LYS A 31 -11.227 -14.375 -3.541 1.00 0.00 C ATOM 518 CE LYS A 31 -12.146 -15.605 -3.624 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.481 -15.275 -4.192 1.00 0.00 N ATOM 0 H LYS A 31 -7.796 -15.745 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.102 -13.901 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.267 -15.796 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.907 -15.024 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.211 -12.901 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.569 -13.664 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.367 -14.623 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.764 -13.571 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.671 -16.370 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.272 -16.029 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.065 -16.135 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.947 -14.565 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.365 -14.895 -5.153 1.00 0.00 H new ATOM 533 N ILE A 32 -6.961 -13.496 -6.594 1.00 0.00 N ATOM 534 CA ILE A 32 -5.860 -12.517 -6.549 1.00 0.00 C ATOM 535 C ILE A 32 -5.674 -11.830 -7.905 1.00 0.00 C ATOM 536 O ILE A 32 -5.876 -10.621 -8.017 1.00 0.00 O ATOM 537 CB ILE A 32 -4.537 -13.168 -6.082 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.582 -13.826 -4.687 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.453 -12.083 -6.028 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.543 -14.954 -4.573 1.00 0.00 C ATOM 0 H ILE A 32 -6.651 -14.453 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.134 -11.758 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.336 -13.961 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.393 -13.074 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.579 -14.226 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.512 -12.525 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.324 -11.648 -7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.752 -11.304 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.597 -15.400 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.749 -15.716 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.545 -14.547 -4.734 1.00 0.00 H new ATOM 552 N LEU A 33 -5.319 -12.586 -8.949 1.00 0.00 N ATOM 553 CA LEU A 33 -5.109 -12.012 -10.283 1.00 0.00 C ATOM 554 C LEU A 33 -6.434 -11.610 -10.936 1.00 0.00 C ATOM 555 O LEU A 33 -6.453 -10.713 -11.776 1.00 0.00 O ATOM 556 CB LEU A 33 -4.244 -12.956 -11.138 1.00 0.00 C ATOM 557 CG LEU A 33 -4.992 -14.008 -11.978 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.206 -13.554 -13.423 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.234 -15.337 -12.039 1.00 0.00 C ATOM 0 H LEU A 33 -5.171 -13.594 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.549 -11.082 -10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.641 -12.348 -11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.553 -13.478 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.952 -14.136 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.737 -14.330 -13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.793 -12.636 -13.433 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.240 -13.372 -13.894 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.797 -16.050 -12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.254 -15.177 -12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.110 -15.732 -11.031 1.00 0.00 H new ATOM 571 N GLU A 34 -7.544 -12.224 -10.507 1.00 0.00 N ATOM 572 CA GLU A 34 -8.881 -11.789 -10.896 1.00 0.00 C ATOM 573 C GLU A 34 -9.135 -10.338 -10.459 1.00 0.00 C ATOM 574 O GLU A 34 -9.673 -9.562 -11.244 1.00 0.00 O ATOM 575 CB GLU A 34 -9.954 -12.745 -10.353 1.00 0.00 C ATOM 576 CG GLU A 34 -11.344 -12.430 -10.920 1.00 0.00 C ATOM 577 CD GLU A 34 -12.420 -13.408 -10.404 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.899 -13.238 -9.256 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.839 -14.312 -11.168 1.00 0.00 O ATOM 0 H GLU A 34 -7.536 -13.032 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.944 -11.818 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.685 -13.771 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.982 -12.678 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.622 -11.411 -10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.309 -12.473 -12.009 1.00 0.00 H new ATOM 586 N ASP A 35 -8.695 -9.932 -9.261 1.00 0.00 N ATOM 587 CA ASP A 35 -8.750 -8.536 -8.829 1.00 0.00 C ATOM 588 C ASP A 35 -7.763 -7.635 -9.572 1.00 0.00 C ATOM 589 O ASP A 35 -8.174 -6.584 -10.071 1.00 0.00 O ATOM 590 CB ASP A 35 -8.468 -8.433 -7.331 1.00 0.00 C ATOM 591 CG ASP A 35 -9.472 -9.096 -6.379 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.671 -9.236 -6.727 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.042 -9.396 -5.239 1.00 0.00 O ATOM 0 H ASP A 35 -8.292 -10.563 -8.568 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.757 -8.190 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.486 -8.867 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.404 -7.376 -7.072 1.00 0.00 H new ATOM 598 N GLU A 36 -6.490 -8.029 -9.716 1.00 0.00 N ATOM 599 CA GLU A 36 -5.530 -7.230 -10.487 1.00 0.00 C ATOM 600 C GLU A 36 -5.975 -6.959 -11.938 1.00 0.00 C ATOM 601 O GLU A 36 -5.548 -5.970 -12.533 1.00 0.00 O ATOM 602 CB GLU A 36 -4.157 -7.900 -10.510 1.00 0.00 C ATOM 603 CG GLU A 36 -3.523 -8.232 -9.165 1.00 0.00 C ATOM 604 CD GLU A 36 -3.253 -7.052 -8.241 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.265 -5.853 -8.626 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.973 -7.283 -7.044 1.00 0.00 O ATOM 0 H GLU A 36 -6.106 -8.884 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.478 -6.270 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.241 -8.824 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.473 -7.250 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.173 -8.934 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.580 -8.747 -9.348 1.00 0.00 H new ATOM 613 N GLU A 37 -6.867 -7.787 -12.497 1.00 0.00 N ATOM 614 CA GLU A 37 -7.411 -7.603 -13.851 1.00 0.00 C ATOM 615 C GLU A 37 -8.294 -6.342 -13.945 1.00 0.00 C ATOM 616 O GLU A 37 -8.369 -5.705 -14.998 1.00 0.00 O ATOM 617 CB GLU A 37 -8.207 -8.856 -14.257 1.00 0.00 C ATOM 618 CG GLU A 37 -8.458 -8.998 -15.765 1.00 0.00 C ATOM 619 CD GLU A 37 -7.175 -9.343 -16.549 1.00 0.00 C ATOM 620 OE1 GLU A 37 -6.878 -10.548 -16.730 1.00 0.00 O ATOM 621 OE2 GLU A 37 -6.473 -8.414 -17.016 1.00 0.00 O ATOM 0 H GLU A 37 -7.235 -8.610 -12.020 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.578 -7.462 -14.540 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.672 -9.739 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.168 -8.841 -13.743 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.203 -9.775 -15.934 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.875 -8.067 -16.150 1.00 0.00 H new ATOM 628 N LYS A 38 -8.921 -5.949 -12.824 1.00 0.00 N ATOM 629 CA LYS A 38 -9.648 -4.678 -12.675 1.00 0.00 C ATOM 630 C LYS A 38 -8.753 -3.555 -12.186 1.00 0.00 C ATOM 631 O LYS A 38 -8.870 -2.455 -12.708 1.00 0.00 O ATOM 632 CB LYS A 38 -10.821 -4.784 -11.686 1.00 0.00 C ATOM 633 CG LYS A 38 -11.932 -5.750 -12.103 1.00 0.00 C ATOM 634 CD LYS A 38 -11.730 -7.158 -11.534 1.00 0.00 C ATOM 635 CE LYS A 38 -12.338 -7.330 -10.136 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.785 -7.669 -10.205 1.00 0.00 N ATOM 0 H LYS A 38 -8.937 -6.519 -11.978 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.020 -4.456 -13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.433 -5.097 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.254 -3.793 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.893 -5.360 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.973 -5.804 -13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.177 -7.886 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.663 -7.377 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.805 -8.116 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.206 -6.410 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.162 -7.778 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.297 -6.907 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.908 -8.560 -10.728 1.00 0.00 H new ATOM 650 N HIS A 39 -7.884 -3.804 -11.201 1.00 0.00 N ATOM 651 CA HIS A 39 -7.185 -2.800 -10.406 1.00 0.00 C ATOM 652 C HIS A 39 -6.548 -1.659 -11.205 1.00 0.00 C ATOM 653 O HIS A 39 -6.674 -0.501 -10.817 1.00 0.00 O ATOM 654 CB HIS A 39 -6.114 -3.539 -9.620 1.00 0.00 C ATOM 655 CG HIS A 39 -6.555 -4.215 -8.357 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.659 -4.601 -7.361 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.833 -4.494 -7.965 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.424 -5.089 -6.374 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.728 -5.009 -6.695 1.00 0.00 N ATOM 0 H HIS A 39 -7.641 -4.756 -10.927 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.923 -2.306 -9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.671 -4.291 -10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.325 -2.830 -9.369 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.642 -4.528 -7.379 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.738 -4.342 -8.534 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.045 -5.492 -5.447 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.507 -5.284 -6.097 1.00 0.00 H new ATOM 667 N ILE A 40 -5.898 -1.986 -12.322 1.00 0.00 N ATOM 668 CA ILE A 40 -5.243 -1.004 -13.201 1.00 0.00 C ATOM 669 C ILE A 40 -6.264 -0.054 -13.836 1.00 0.00 C ATOM 670 O ILE A 40 -6.139 1.165 -13.716 1.00 0.00 O ATOM 671 CB ILE A 40 -4.398 -1.733 -14.271 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.416 -2.696 -13.573 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.634 -0.733 -15.158 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.399 -3.364 -14.495 1.00 0.00 C ATOM 0 H ILE A 40 -5.808 -2.948 -12.649 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.574 -0.390 -12.598 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.067 -2.299 -14.919 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.877 -2.145 -12.802 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.990 -3.473 -13.068 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.050 -1.277 -15.900 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.344 -0.079 -15.664 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.966 -0.134 -14.539 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.755 -4.021 -13.911 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.923 -3.948 -15.252 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.792 -2.600 -14.982 1.00 0.00 H new ATOM 686 N GLU A 41 -7.308 -0.597 -14.464 1.00 0.00 N ATOM 687 CA GLU A 41 -8.424 0.199 -14.986 1.00 0.00 C ATOM 688 C GLU A 41 -9.221 0.893 -13.877 1.00 0.00 C ATOM 689 O GLU A 41 -9.683 2.014 -14.074 1.00 0.00 O ATOM 690 CB GLU A 41 -9.334 -0.659 -15.882 1.00 0.00 C ATOM 691 CG GLU A 41 -8.870 -0.579 -17.342 1.00 0.00 C ATOM 692 CD GLU A 41 -9.731 -1.460 -18.270 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.937 -1.164 -18.455 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.202 -2.443 -18.846 1.00 0.00 O ATOM 0 H GLU A 41 -7.405 -1.599 -14.626 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.994 0.993 -15.596 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.317 -1.695 -15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.365 -0.314 -15.801 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.915 0.456 -17.681 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.828 -0.892 -17.409 1.00 0.00 H new ATOM 701 N TRP A 42 -9.335 0.290 -12.695 1.00 0.00 N ATOM 702 CA TRP A 42 -9.969 0.871 -11.513 1.00 0.00 C ATOM 703 C TRP A 42 -9.372 2.207 -11.031 1.00 0.00 C ATOM 704 O TRP A 42 -10.151 3.050 -10.583 1.00 0.00 O ATOM 705 CB TRP A 42 -10.016 -0.216 -10.426 1.00 0.00 C ATOM 706 CG TRP A 42 -11.241 -1.085 -10.395 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.221 -1.117 -11.329 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.617 -2.093 -9.402 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.203 -2.009 -10.950 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.869 -2.664 -9.784 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.012 -2.611 -8.235 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.487 -3.690 -9.052 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.617 -3.647 -7.497 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.852 -4.187 -7.902 1.00 0.00 C ATOM 0 H TRP A 42 -8.976 -0.650 -12.528 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.981 1.174 -11.783 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.145 -0.860 -10.550 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.918 0.269 -9.455 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.232 -0.531 -12.236 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.068 -2.164 -11.468 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.068 -2.205 -7.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.438 -4.092 -9.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.129 -4.030 -6.613 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.310 -4.981 -7.330 1.00 0.00 H new ATOM 725 N LEU A 43 -8.066 2.484 -11.184 1.00 0.00 N ATOM 726 CA LEU A 43 -7.526 3.829 -10.942 1.00 0.00 C ATOM 727 C LEU A 43 -7.495 4.723 -12.199 1.00 0.00 C ATOM 728 O LEU A 43 -7.624 5.938 -12.084 1.00 0.00 O ATOM 729 CB LEU A 43 -6.203 3.759 -10.169 1.00 0.00 C ATOM 730 CG LEU A 43 -4.940 3.521 -11.015 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.863 4.462 -10.509 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.405 2.097 -10.929 1.00 0.00 C ATOM 0 H LEU A 43 -7.369 1.797 -11.473 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.230 4.350 -10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.077 4.691 -9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.278 2.960 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.206 3.698 -12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.952 4.318 -11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.201 5.493 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.661 4.252 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.515 2.005 -11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.151 1.866 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.166 1.400 -11.280 1.00 0.00 H new ATOM 744 N GLU A 44 -7.399 4.151 -13.403 1.00 0.00 N ATOM 745 CA GLU A 44 -7.443 4.888 -14.675 1.00 0.00 C ATOM 746 C GLU A 44 -8.828 5.491 -14.946 1.00 0.00 C ATOM 747 O GLU A 44 -8.944 6.609 -15.447 1.00 0.00 O ATOM 748 CB GLU A 44 -7.058 3.922 -15.805 1.00 0.00 C ATOM 749 CG GLU A 44 -5.786 4.345 -16.550 1.00 0.00 C ATOM 750 CD GLU A 44 -6.014 5.574 -17.450 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.588 5.420 -18.556 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.598 6.694 -17.070 1.00 0.00 O ATOM 0 H GLU A 44 -7.286 3.145 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.741 5.720 -14.621 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.914 2.925 -15.389 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.883 3.855 -16.515 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.002 4.568 -15.827 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.431 3.513 -17.159 1.00 0.00 H new ATOM 759 N THR A 45 -9.878 4.770 -14.548 1.00 0.00 N ATOM 760 CA THR A 45 -11.277 5.204 -14.542 1.00 0.00 C ATOM 761 C THR A 45 -11.459 6.551 -13.833 1.00 0.00 C ATOM 762 O THR A 45 -12.210 7.406 -14.304 1.00 0.00 O ATOM 763 CB THR A 45 -12.172 4.131 -13.903 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.165 2.958 -14.687 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.637 4.543 -13.766 1.00 0.00 C ATOM 0 H THR A 45 -9.770 3.816 -14.203 1.00 0.00 H new ATOM 0 HA THR A 45 -11.579 5.342 -15.580 1.00 0.00 H new ATOM 0 HB THR A 45 -11.753 3.977 -12.908 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.265 2.570 -14.687 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.202 3.732 -13.307 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.708 5.433 -13.141 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.048 4.758 -14.752 1.00 0.00 H new ATOM 773 N ILE A 46 -10.743 6.761 -12.722 1.00 0.00 N ATOM 774 CA ILE A 46 -10.780 8.020 -11.952 1.00 0.00 C ATOM 775 C ILE A 46 -10.169 9.204 -12.716 1.00 0.00 C ATOM 776 O ILE A 46 -10.672 10.327 -12.661 1.00 0.00 O ATOM 777 CB ILE A 46 -10.043 7.864 -10.602 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.440 6.598 -9.817 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.260 9.104 -9.722 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.951 6.372 -9.665 1.00 0.00 C ATOM 0 H ILE A 46 -10.116 6.061 -12.326 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.835 8.234 -11.781 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.988 7.759 -10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.007 5.730 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.995 6.651 -8.824 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.734 8.976 -8.776 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.875 9.986 -10.235 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.325 9.232 -9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.127 5.457 -9.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.394 7.216 -9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.406 6.281 -10.651 1.00 0.00 H new ATOM 792 N LEU A 47 -9.070 8.944 -13.421 1.00 0.00 N ATOM 793 CA LEU A 47 -8.188 9.934 -14.042 1.00 0.00 C ATOM 794 C LEU A 47 -8.743 10.578 -15.335 1.00 0.00 C ATOM 795 O LEU A 47 -8.061 11.398 -15.955 1.00 0.00 O ATOM 796 CB LEU A 47 -6.810 9.277 -14.270 1.00 0.00 C ATOM 797 CG LEU A 47 -6.079 8.887 -12.969 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.867 8.014 -13.293 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.607 10.112 -12.183 1.00 0.00 C ATOM 0 H LEU A 47 -8.753 7.988 -13.584 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.104 10.776 -13.355 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.941 8.385 -14.883 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.181 9.963 -14.837 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.792 8.339 -12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.356 7.743 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.196 7.109 -13.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.183 8.566 -13.937 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.098 9.788 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.920 10.695 -12.796 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.467 10.727 -11.917 1.00 0.00 H new ATOM 811 N GLY A 48 -9.972 10.241 -15.742 1.00 0.00 N ATOM 812 CA GLY A 48 -10.635 10.776 -16.936 1.00 0.00 C ATOM 813 C GLY A 48 -12.156 10.571 -16.945 1.00 0.00 C ATOM 814 O GLY A 48 -12.773 10.228 -15.937 1.00 0.00 O ATOM 0 H GLY A 48 -10.549 9.570 -15.235 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.421 11.842 -17.012 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.209 10.302 -17.820 1.00 0.00 H new ATOM 828 N ASP B 1 11.567 -19.987 -5.587 1.00 0.00 N ATOM 829 CA ASP B 1 11.921 -18.558 -5.517 1.00 0.00 C ATOM 830 C ASP B 1 10.897 -17.619 -6.186 1.00 0.00 C ATOM 831 O ASP B 1 10.761 -16.456 -5.798 1.00 0.00 O ATOM 832 CB ASP B 1 13.324 -18.353 -6.121 1.00 0.00 C ATOM 833 CG ASP B 1 14.333 -17.859 -5.072 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.336 -16.646 -4.753 1.00 0.00 O ATOM 835 OD2 ASP B 1 15.133 -18.683 -4.567 1.00 0.00 O ATOM 0 H1 ASP B 1 12.268 -20.545 -5.058 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.624 -20.132 -5.172 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.559 -20.294 -6.581 1.00 0.00 H new ATOM 0 HA ASP B 1 11.914 -18.283 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.676 -19.292 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.266 -17.632 -6.937 1.00 0.00 H new ATOM 840 N TYR B 2 10.131 -18.136 -7.154 1.00 0.00 N ATOM 841 CA TYR B 2 9.035 -17.417 -7.812 1.00 0.00 C ATOM 842 C TYR B 2 7.997 -16.874 -6.817 1.00 0.00 C ATOM 843 O TYR B 2 7.526 -15.756 -6.990 1.00 0.00 O ATOM 844 CB TYR B 2 8.367 -18.309 -8.871 1.00 0.00 C ATOM 845 CG TYR B 2 7.430 -19.387 -8.348 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.939 -20.632 -7.926 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.046 -19.129 -8.261 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.076 -21.598 -7.371 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.180 -20.095 -7.713 1.00 0.00 C ATOM 850 CZ TYR B 2 5.697 -21.321 -7.244 1.00 0.00 C ATOM 851 OH TYR B 2 4.875 -22.204 -6.618 1.00 0.00 O ATOM 0 H TYR B 2 10.259 -19.084 -7.508 1.00 0.00 H new ATOM 0 HA TYR B 2 9.474 -16.549 -8.305 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.807 -17.670 -9.553 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.150 -18.791 -9.456 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.993 -20.846 -8.028 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.650 -18.189 -8.615 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.469 -22.549 -7.043 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.120 -19.897 -7.652 1.00 0.00 H new ATOM 0 HH TYR B 2 3.959 -21.855 -6.619 1.00 0.00 H new ATOM 861 N LEU B 3 7.695 -17.628 -5.753 1.00 0.00 N ATOM 862 CA LEU B 3 6.730 -17.285 -4.690 1.00 0.00 C ATOM 863 C LEU B 3 7.130 -16.001 -3.949 1.00 0.00 C ATOM 864 O LEU B 3 6.291 -15.146 -3.667 1.00 0.00 O ATOM 865 CB LEU B 3 6.660 -18.416 -3.652 1.00 0.00 C ATOM 866 CG LEU B 3 6.010 -19.703 -4.172 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.270 -20.840 -3.187 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.498 -19.526 -4.360 1.00 0.00 C ATOM 0 H LEU B 3 8.134 -18.536 -5.598 1.00 0.00 H new ATOM 0 HA LEU B 3 5.766 -17.138 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.670 -18.644 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.102 -18.064 -2.784 1.00 0.00 H new ATOM 0 HG LEU B 3 6.450 -19.939 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.808 -21.755 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.344 -20.993 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.844 -20.585 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.066 -20.456 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.040 -19.268 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.312 -18.728 -5.079 1.00 0.00 H new ATOM 880 N ARG B 4 8.426 -15.870 -3.640 1.00 0.00 N ATOM 881 CA ARG B 4 8.999 -14.671 -3.009 1.00 0.00 C ATOM 882 C ARG B 4 8.949 -13.481 -3.965 1.00 0.00 C ATOM 883 O ARG B 4 8.566 -12.382 -3.575 1.00 0.00 O ATOM 884 CB ARG B 4 10.446 -14.955 -2.569 1.00 0.00 C ATOM 885 CG ARG B 4 10.965 -13.881 -1.597 1.00 0.00 C ATOM 886 CD ARG B 4 12.487 -13.961 -1.415 1.00 0.00 C ATOM 887 NE ARG B 4 13.202 -13.438 -2.599 1.00 0.00 N ATOM 888 CZ ARG B 4 14.510 -13.414 -2.787 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.345 -13.903 -1.913 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.010 -12.872 -3.861 1.00 0.00 N ATOM 0 H ARG B 4 9.115 -16.600 -3.822 1.00 0.00 H new ATOM 0 HA ARG B 4 8.406 -14.419 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.496 -15.933 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.092 -14.995 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG B 4 10.695 -12.893 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.477 -14.000 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.779 -13.393 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG B 4 12.780 -14.996 -1.240 1.00 0.00 H new ATOM 0 HE ARG B 4 12.626 -13.056 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.994 -14.321 -1.051 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.349 -13.867 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.391 -12.464 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.020 -12.856 -4.001 1.00 0.00 H new ATOM 904 N GLU B 5 9.295 -13.702 -5.230 1.00 0.00 N ATOM 905 CA GLU B 5 9.272 -12.640 -6.247 1.00 0.00 C ATOM 906 C GLU B 5 7.838 -12.162 -6.572 1.00 0.00 C ATOM 907 O GLU B 5 7.627 -11.006 -6.946 1.00 0.00 O ATOM 908 CB GLU B 5 10.056 -13.117 -7.477 1.00 0.00 C ATOM 909 CG GLU B 5 10.361 -11.977 -8.456 1.00 0.00 C ATOM 910 CD GLU B 5 11.664 -12.240 -9.237 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.631 -12.945 -10.275 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.736 -11.737 -8.817 1.00 0.00 O ATOM 0 H GLU B 5 9.597 -14.610 -5.583 1.00 0.00 H new ATOM 0 HA GLU B 5 9.765 -11.751 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.991 -13.574 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.485 -13.890 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.532 -11.864 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.446 -11.038 -7.909 1.00 0.00 H new ATOM 919 N LEU B 6 6.842 -13.027 -6.347 1.00 0.00 N ATOM 920 CA LEU B 6 5.406 -12.779 -6.508 1.00 0.00 C ATOM 921 C LEU B 6 4.840 -11.683 -5.576 1.00 0.00 C ATOM 922 O LEU B 6 3.889 -10.995 -5.949 1.00 0.00 O ATOM 923 CB LEU B 6 4.686 -14.127 -6.263 1.00 0.00 C ATOM 924 CG LEU B 6 3.404 -14.377 -7.063 1.00 0.00 C ATOM 925 CD1 LEU B 6 3.681 -14.413 -8.566 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.831 -15.758 -6.717 1.00 0.00 C ATOM 0 H LEU B 6 7.030 -13.977 -6.028 1.00 0.00 H new ATOM 0 HA LEU B 6 5.235 -12.396 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.387 -14.932 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.444 -14.196 -5.202 1.00 0.00 H new ATOM 0 HG LEU B 6 2.718 -13.568 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.750 -14.592 -9.103 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.104 -13.459 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.387 -15.213 -8.787 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.920 -15.928 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.563 -16.528 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.603 -15.801 -5.652 1.00 0.00 H new ATOM 938 N LEU B 7 5.420 -11.510 -4.380 1.00 0.00 N ATOM 939 CA LEU B 7 4.895 -10.713 -3.274 1.00 0.00 C ATOM 940 C LEU B 7 5.631 -9.368 -3.045 1.00 0.00 C ATOM 941 O LEU B 7 5.098 -8.466 -2.392 1.00 0.00 O ATOM 942 CB LEU B 7 4.800 -11.653 -2.045 1.00 0.00 C ATOM 943 CG LEU B 7 5.587 -11.301 -0.784 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.117 -12.184 0.377 1.00 0.00 C ATOM 945 CD2 LEU B 7 7.097 -11.502 -0.896 1.00 0.00 C ATOM 0 H LEU B 7 6.313 -11.946 -4.151 1.00 0.00 H new ATOM 0 HA LEU B 7 3.897 -10.346 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU B 7 3.749 -11.727 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.116 -12.646 -2.364 1.00 0.00 H new ATOM 0 HG LEU B 7 5.398 -10.239 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.679 -11.932 1.276 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.055 -12.017 0.554 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.283 -13.232 0.127 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.572 -11.227 0.046 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.309 -12.548 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.489 -10.875 -1.697 1.00 0.00 H new ATOM 957 N LYS B 8 6.846 -9.216 -3.590 1.00 0.00 N ATOM 958 CA LYS B 8 7.855 -8.193 -3.283 1.00 0.00 C ATOM 959 C LYS B 8 7.584 -6.874 -4.023 1.00 0.00 C ATOM 960 O LYS B 8 8.369 -6.434 -4.865 1.00 0.00 O ATOM 961 CB LYS B 8 9.202 -8.830 -3.650 1.00 0.00 C ATOM 962 CG LYS B 8 10.443 -8.062 -3.177 1.00 0.00 C ATOM 963 CD LYS B 8 11.683 -8.624 -3.886 1.00 0.00 C ATOM 964 CE LYS B 8 12.888 -7.704 -3.699 1.00 0.00 C ATOM 965 NZ LYS B 8 13.504 -7.826 -2.351 1.00 0.00 N ATOM 0 H LYS B 8 7.174 -9.855 -4.314 1.00 0.00 H new ATOM 0 HA LYS B 8 7.838 -7.907 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.236 -9.835 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.252 -8.935 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.334 -7.000 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.553 -8.155 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.913 -9.614 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.475 -8.744 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.636 -7.935 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.579 -6.671 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.316 -7.180 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.802 -7.580 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.826 -8.804 -2.204 1.00 0.00 H new ATOM 979 N GLY B 9 6.427 -6.273 -3.762 1.00 0.00 N ATOM 980 CA GLY B 9 6.013 -5.043 -4.420 1.00 0.00 C ATOM 981 C GLY B 9 4.541 -4.684 -4.400 1.00 0.00 C ATOM 982 O GLY B 9 4.186 -3.558 -4.739 1.00 0.00 O ATOM 0 H GLY B 9 5.750 -6.628 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.563 -4.220 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.328 -5.100 -5.462 1.00 0.00 H new ATOM 986 N GLU B 10 3.675 -5.580 -3.944 1.00 0.00 N ATOM 987 CA GLU B 10 2.271 -5.236 -3.698 1.00 0.00 C ATOM 988 C GLU B 10 2.167 -4.101 -2.651 1.00 0.00 C ATOM 989 O GLU B 10 1.405 -3.160 -2.845 1.00 0.00 O ATOM 990 CB GLU B 10 1.489 -6.522 -3.358 1.00 0.00 C ATOM 991 CG GLU B 10 1.235 -7.420 -4.594 1.00 0.00 C ATOM 992 CD GLU B 10 -0.235 -7.812 -4.819 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.187 -7.650 -4.039 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.769 -8.044 -5.917 1.00 0.00 O ATOM 0 H GLU B 10 3.914 -6.549 -3.736 1.00 0.00 H new ATOM 0 HA GLU B 10 1.801 -4.826 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.042 -7.090 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.533 -6.252 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.598 -6.902 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.827 -8.330 -4.492 1.00 0.00 H new ATOM 1001 N LEU B 11 3.048 -4.069 -1.640 1.00 0.00 N ATOM 1002 CA LEU B 11 3.279 -2.988 -0.674 1.00 0.00 C ATOM 1003 C LEU B 11 4.030 -1.759 -1.190 1.00 0.00 C ATOM 1004 O LEU B 11 3.915 -0.696 -0.586 1.00 0.00 O ATOM 1005 CB LEU B 11 3.937 -3.668 0.529 1.00 0.00 C ATOM 1006 CG LEU B 11 5.419 -3.986 0.294 1.00 0.00 C ATOM 1007 CD1 LEU B 11 6.298 -2.950 0.989 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.753 -5.389 0.788 1.00 0.00 C ATOM 0 H LEU B 11 3.665 -4.862 -1.464 1.00 0.00 H new ATOM 0 HA LEU B 11 2.330 -2.519 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.843 -3.022 1.402 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.403 -4.591 0.756 1.00 0.00 H new ATOM 0 HG LEU B 11 5.616 -3.947 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.347 -3.187 0.814 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.079 -1.960 0.590 1.00 0.00 H new ATOM 0 HD13 LEU B 11 6.097 -2.962 2.060 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.809 -5.595 0.612 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.543 -5.459 1.855 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.147 -6.118 0.250 1.00 0.00 H new ATOM 1020 N GLN B 12 4.701 -1.853 -2.337 1.00 0.00 N ATOM 1021 CA GLN B 12 5.109 -0.686 -3.112 1.00 0.00 C ATOM 1022 C GLN B 12 3.885 0.017 -3.745 1.00 0.00 C ATOM 1023 O GLN B 12 3.968 1.187 -4.115 1.00 0.00 O ATOM 1024 CB GLN B 12 6.173 -1.102 -4.143 1.00 0.00 C ATOM 1025 CG GLN B 12 7.083 0.060 -4.573 1.00 0.00 C ATOM 1026 CD GLN B 12 8.206 -0.398 -5.509 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.032 -1.228 -6.393 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.412 0.108 -5.349 1.00 0.00 N ATOM 0 H GLN B 12 4.977 -2.742 -2.754 1.00 0.00 H new ATOM 0 HA GLN B 12 5.565 0.054 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.786 -1.899 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.677 -1.512 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.485 0.822 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.517 0.525 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.582 0.801 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.176 -0.193 -5.954 1.00 0.00 H new ATOM 1037 N GLY B 13 2.729 -0.668 -3.801 1.00 0.00 N ATOM 1038 CA GLY B 13 1.436 -0.135 -4.234 1.00 0.00 C ATOM 1039 C GLY B 13 0.506 0.220 -3.068 1.00 0.00 C ATOM 1040 O GLY B 13 -0.012 1.333 -3.055 1.00 0.00 O ATOM 0 H GLY B 13 2.674 -1.651 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.602 0.755 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.944 -0.869 -4.872 1.00 0.00 H new ATOM 1044 N ILE B 14 0.340 -0.653 -2.056 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.555 -0.434 -0.887 1.00 0.00 C ATOM 1046 C ILE B 14 -0.347 0.962 -0.279 1.00 0.00 C ATOM 1047 O ILE B 14 -1.301 1.725 -0.108 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.360 -1.519 0.210 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.768 -2.928 -0.266 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.160 -1.210 1.492 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.173 -4.073 0.567 1.00 0.00 C ATOM 0 H ILE B 14 0.829 -1.547 -2.021 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.576 -0.509 -1.261 1.00 0.00 H new ATOM 0 HB ILE B 14 0.708 -1.501 0.425 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.855 -3.005 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.460 -3.051 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.989 -1.998 2.226 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.834 -0.254 1.903 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.223 -1.159 1.254 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.510 -5.029 0.165 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.915 -4.025 0.526 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.502 -3.979 1.602 1.00 0.00 H new ATOM 1063 N LYS B 15 0.915 1.310 0.015 1.00 0.00 N ATOM 1064 CA LYS B 15 1.271 2.565 0.688 1.00 0.00 C ATOM 1065 C LYS B 15 1.117 3.814 -0.193 1.00 0.00 C ATOM 1066 O LYS B 15 0.854 4.900 0.320 1.00 0.00 O ATOM 1067 CB LYS B 15 2.668 2.432 1.326 1.00 0.00 C ATOM 1068 CG LYS B 15 3.848 2.492 0.340 1.00 0.00 C ATOM 1069 CD LYS B 15 5.147 2.059 1.040 1.00 0.00 C ATOM 1070 CE LYS B 15 6.356 2.218 0.111 1.00 0.00 C ATOM 1071 NZ LYS B 15 7.623 1.850 0.799 1.00 0.00 N ATOM 0 H LYS B 15 1.720 0.725 -0.209 1.00 0.00 H new ATOM 0 HA LYS B 15 0.545 2.730 1.484 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.790 3.226 2.063 1.00 0.00 H new ATOM 0 HB3 LYS B 15 2.714 1.486 1.866 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.652 1.842 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS B 15 3.956 3.505 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.295 2.656 1.940 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.063 1.020 1.358 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.224 1.591 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS B 15 6.416 3.249 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.421 1.969 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.760 2.465 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.574 0.859 1.109 1.00 0.00 H new ATOM 1085 N GLN B 16 1.221 3.653 -1.514 1.00 0.00 N ATOM 1086 CA GLN B 16 1.058 4.715 -2.509 1.00 0.00 C ATOM 1087 C GLN B 16 -0.406 4.949 -2.910 1.00 0.00 C ATOM 1088 O GLN B 16 -0.809 6.087 -3.146 1.00 0.00 O ATOM 1089 CB GLN B 16 1.908 4.340 -3.729 1.00 0.00 C ATOM 1090 CG GLN B 16 3.389 4.732 -3.567 1.00 0.00 C ATOM 1091 CD GLN B 16 3.734 6.002 -4.344 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.200 5.950 -5.474 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.519 7.187 -3.814 1.00 0.00 N ATOM 0 H GLN B 16 1.428 2.747 -1.935 1.00 0.00 H new ATOM 0 HA GLN B 16 1.390 5.658 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.838 3.266 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.502 4.830 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.611 4.882 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.020 3.913 -3.912 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.131 7.262 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.740 8.030 -4.344 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.234 3.905 -2.913 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.679 4.022 -3.108 1.00 0.00 C ATOM 1104 C TYR B 17 -3.354 4.860 -2.020 1.00 0.00 C ATOM 1105 O TYR B 17 -4.251 5.652 -2.321 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.322 2.632 -3.128 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.274 1.919 -4.466 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.811 2.551 -5.603 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.754 0.612 -4.567 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.813 1.890 -6.843 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.764 -0.060 -5.808 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.299 0.582 -6.947 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.442 -0.085 -8.122 1.00 0.00 O ATOM 0 H TYR B 17 -0.918 2.945 -2.779 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.825 4.527 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.826 2.009 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.364 2.726 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.222 3.546 -5.522 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.347 0.125 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.209 2.385 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.365 -1.060 -5.887 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.231 -1.033 -7.988 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.904 4.724 -0.764 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.416 5.531 0.353 1.00 0.00 C ATOM 1125 C ARG B 18 -3.187 7.029 0.108 1.00 0.00 C ATOM 1126 O ARG B 18 -4.086 7.843 0.306 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.790 5.071 1.683 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.800 4.328 2.572 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.168 3.924 3.908 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.155 3.272 4.793 1.00 0.00 N ATOM 1131 CZ ARG B 18 -3.989 2.954 6.066 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.870 3.172 6.697 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.959 2.406 6.739 1.00 0.00 N ATOM 0 H ARG B 18 -2.181 4.057 -0.495 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.493 5.378 0.420 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.941 4.419 1.477 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.404 5.937 2.220 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.666 4.964 2.754 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.161 3.440 2.054 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.334 3.246 3.728 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.761 4.806 4.402 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.059 3.043 4.379 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.084 3.602 6.209 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.780 2.913 7.679 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.853 2.220 6.285 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.825 2.163 7.721 1.00 0.00 H new ATOM 1147 N GLU B 19 -2.003 7.365 -0.400 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.572 8.723 -0.759 1.00 0.00 C ATOM 1149 C GLU B 19 -2.373 9.324 -1.932 1.00 0.00 C ATOM 1150 O GLU B 19 -2.678 10.515 -1.946 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.080 8.642 -1.119 1.00 0.00 C ATOM 1152 CG GLU B 19 0.666 9.972 -0.965 1.00 0.00 C ATOM 1153 CD GLU B 19 2.188 9.832 -1.205 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.683 8.723 -1.532 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.906 10.848 -1.040 1.00 0.00 O ATOM 0 H GLU B 19 -1.281 6.668 -0.583 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.750 9.386 0.088 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.397 7.893 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.018 8.298 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.256 10.698 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.495 10.367 0.037 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.750 8.499 -2.910 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.565 8.900 -4.059 1.00 0.00 C ATOM 1164 C ALA B 20 -5.037 9.193 -3.695 1.00 0.00 C ATOM 1165 O ALA B 20 -5.664 10.065 -4.305 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.431 7.820 -5.140 1.00 0.00 C ATOM 0 H ALA B 20 -2.492 7.512 -2.926 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.192 9.851 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -4.030 8.097 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.386 7.729 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.782 6.866 -4.746 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.590 8.538 -2.667 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.929 8.852 -2.146 1.00 0.00 C ATOM 1174 C LEU B 21 -7.006 10.241 -1.486 1.00 0.00 C ATOM 1175 O LEU B 21 -8.084 10.831 -1.477 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.423 7.706 -1.248 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.911 7.792 -0.843 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.548 6.401 -0.816 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.096 8.390 0.556 1.00 0.00 C ATOM 0 H LEU B 21 -5.124 7.777 -2.173 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.618 8.925 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.256 6.761 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.816 7.686 -0.343 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.386 8.432 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.596 6.486 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.479 5.950 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.023 5.775 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.158 8.430 0.797 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.581 7.768 1.288 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.680 9.397 0.579 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.895 10.833 -1.029 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.904 12.230 -0.552 1.00 0.00 C ATOM 1193 C GLU B 22 -6.257 13.251 -1.651 1.00 0.00 C ATOM 1194 O GLU B 22 -6.835 14.297 -1.350 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.556 12.622 0.083 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.537 12.558 1.616 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.375 11.125 2.158 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.222 10.631 2.224 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -5.387 10.517 2.581 1.00 0.00 O ATOM 0 H GLU B 22 -4.985 10.375 -0.978 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.691 12.265 0.201 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.779 11.963 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.301 13.635 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -3.721 13.176 1.990 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.462 12.984 2.003 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.947 12.944 -2.914 1.00 0.00 N ATOM 1207 CA TYR B 23 -6.245 13.799 -4.069 1.00 0.00 C ATOM 1208 C TYR B 23 -7.536 13.402 -4.802 1.00 0.00 C ATOM 1209 O TYR B 23 -8.286 14.281 -5.231 1.00 0.00 O ATOM 1210 CB TYR B 23 -5.043 13.785 -5.022 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.832 14.503 -4.456 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -3.723 15.900 -4.603 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.843 13.791 -3.748 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -2.629 16.588 -4.045 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.748 14.477 -3.188 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.637 15.877 -3.333 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.578 16.534 -2.783 1.00 0.00 O ATOM 0 H TYR B 23 -5.473 12.078 -3.168 1.00 0.00 H new ATOM 0 HA TYR B 23 -6.419 14.809 -3.699 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.775 12.752 -5.246 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -5.328 14.252 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -4.481 16.445 -5.146 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.925 12.720 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -2.548 17.659 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.991 13.930 -2.646 1.00 0.00 H new ATOM 0 HH TYR B 23 0.006 15.891 -2.329 1.00 0.00 H new ATOM 1227 N THR B 24 -7.836 12.103 -4.926 1.00 0.00 N ATOM 1228 CA THR B 24 -9.044 11.622 -5.633 1.00 0.00 C ATOM 1229 C THR B 24 -10.292 11.566 -4.744 1.00 0.00 C ATOM 1230 O THR B 24 -11.399 11.842 -5.206 1.00 0.00 O ATOM 1231 CB THR B 24 -8.832 10.227 -6.240 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.568 9.285 -5.229 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.675 10.164 -7.238 1.00 0.00 C ATOM 0 H THR B 24 -7.257 11.355 -4.544 1.00 0.00 H new ATOM 0 HA THR B 24 -9.211 12.358 -6.420 1.00 0.00 H new ATOM 0 HB THR B 24 -9.757 10.000 -6.769 1.00 0.00 H new ATOM 0 HG1 THR B 24 -9.246 8.578 -5.255 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.584 9.149 -7.626 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.867 10.852 -8.062 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.748 10.446 -6.739 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.123 11.224 -3.462 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.169 10.861 -2.485 1.00 0.00 C ATOM 1243 C HIS B 25 -12.155 9.743 -2.929 1.00 0.00 C ATOM 1244 O HIS B 25 -13.177 9.533 -2.272 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.860 12.135 -1.955 1.00 0.00 C ATOM 1246 CG HIS B 25 -11.041 12.826 -0.892 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.248 12.742 0.475 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.921 13.583 -1.095 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -10.272 13.440 1.091 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.458 13.964 0.152 1.00 0.00 N ATOM 0 H HIS B 25 -9.192 11.190 -3.047 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.656 10.376 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -12.034 12.823 -2.782 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.836 11.874 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.481 13.836 -2.048 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.161 13.559 2.159 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.638 14.544 0.331 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.891 9.015 -4.024 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.809 8.003 -4.582 1.00 0.00 C ATOM 1261 C ASN B 26 -12.835 6.684 -3.770 1.00 0.00 C ATOM 1262 O ASN B 26 -11.784 6.230 -3.307 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.437 7.743 -6.057 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.987 8.819 -6.979 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -12.354 9.825 -7.250 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -14.187 8.651 -7.491 1.00 0.00 N ATOM 0 H ASN B 26 -11.025 9.111 -4.555 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.821 8.403 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.352 7.700 -6.156 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.823 6.771 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.581 9.360 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -14.723 7.812 -7.269 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.998 5.999 -3.669 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.127 4.709 -2.974 1.00 0.00 C ATOM 1275 C PRO B 27 -13.448 3.550 -3.722 1.00 0.00 C ATOM 1276 O PRO B 27 -13.170 2.497 -3.148 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.638 4.471 -2.854 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.205 5.178 -4.084 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.290 6.393 -4.226 1.00 0.00 C ATOM 0 HA PRO B 27 -13.627 4.744 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.879 3.408 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.039 4.888 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.172 4.541 -4.968 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.245 5.469 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.190 6.685 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.698 7.252 -3.693 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.163 3.730 -5.012 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.506 2.720 -5.851 1.00 0.00 C ATOM 1289 C VAL B 28 -11.057 2.474 -5.430 1.00 0.00 C ATOM 1290 O VAL B 28 -10.672 1.319 -5.267 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.601 3.102 -7.332 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -12.193 1.919 -8.195 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -14.016 3.516 -7.767 1.00 0.00 C ATOM 0 H VAL B 28 -13.384 4.591 -5.512 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.037 1.779 -5.706 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.936 3.956 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.262 2.195 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -11.167 1.635 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.857 1.078 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -14.010 3.773 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.705 2.689 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.337 4.380 -7.185 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.265 3.519 -5.154 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.931 3.364 -4.571 1.00 0.00 C ATOM 1305 C LEU B 29 -8.971 2.642 -3.220 1.00 0.00 C ATOM 1306 O LEU B 29 -8.084 1.832 -2.946 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.247 4.733 -4.435 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.594 5.212 -5.736 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.581 5.820 -6.728 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.533 6.259 -5.418 1.00 0.00 C ATOM 0 H LEU B 29 -10.531 4.488 -5.328 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.348 2.741 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.983 5.470 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.489 4.677 -3.654 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.162 4.327 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.048 6.136 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.332 5.077 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -9.070 6.682 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.069 6.599 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.997 7.106 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.773 5.822 -4.770 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.017 2.868 -2.414 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.238 2.100 -1.194 1.00 0.00 C ATOM 1324 C ALA B 30 -10.439 0.602 -1.497 1.00 0.00 C ATOM 1325 O ALA B 30 -9.734 -0.202 -0.901 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.379 2.708 -0.369 1.00 0.00 C ATOM 0 H ALA B 30 -10.724 3.582 -2.591 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.340 2.161 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.527 2.120 0.537 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.126 3.733 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.296 2.704 -0.958 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.284 0.201 -2.463 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.385 -1.207 -2.922 1.00 0.00 C ATOM 1334 C LYS B 31 -10.063 -1.783 -3.434 1.00 0.00 C ATOM 1335 O LYS B 31 -9.730 -2.918 -3.097 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.464 -1.375 -4.015 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.792 -1.913 -3.464 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.680 -2.439 -4.603 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.970 -3.051 -4.042 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.766 -3.723 -5.103 1.00 0.00 N ATOM 0 H LYS B 31 -11.916 0.836 -2.950 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.669 -1.770 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.639 -0.413 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.093 -2.054 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.597 -2.712 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.314 -1.123 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.924 -1.626 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.136 -3.188 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.722 -3.771 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.571 -2.270 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.630 -4.125 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.024 -3.030 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.202 -4.485 -5.531 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.304 -1.009 -4.209 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.008 -1.432 -4.767 1.00 0.00 C ATOM 1356 C ILE B 32 -7.060 -1.778 -3.619 1.00 0.00 C ATOM 1357 O ILE B 32 -6.667 -2.936 -3.483 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.406 -0.385 -5.722 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.251 -0.137 -6.990 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.050 -0.927 -6.193 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.904 1.201 -7.665 1.00 0.00 C ATOM 0 H ILE B 32 -9.569 -0.060 -4.473 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.166 -2.321 -5.378 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.347 0.556 -5.174 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.091 -0.951 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.309 -0.146 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.589 -0.212 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.400 -1.079 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.197 -1.876 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.523 1.332 -8.552 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.090 2.019 -6.969 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.853 1.201 -7.953 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.744 -0.810 -2.753 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.829 -1.043 -1.634 1.00 0.00 C ATOM 1375 C LEU B 33 -6.400 -1.990 -0.572 1.00 0.00 C ATOM 1376 O LEU B 33 -5.633 -2.681 0.093 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.287 0.288 -1.087 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.232 1.119 -0.201 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.133 0.741 1.280 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.890 2.606 -0.309 1.00 0.00 C ATOM 0 H LEU B 33 -7.109 0.141 -2.806 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.965 -1.588 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.385 0.076 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.988 0.905 -1.934 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.240 0.912 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.820 1.357 1.860 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.394 -0.310 1.406 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.114 0.906 1.630 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.566 3.182 0.323 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.863 2.768 0.017 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.997 2.930 -1.344 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.727 -2.084 -0.450 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.375 -3.084 0.405 1.00 0.00 C ATOM 1394 C GLU B 34 -8.104 -4.506 -0.101 1.00 0.00 C ATOM 1395 O GLU B 34 -7.933 -5.422 0.704 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.886 -2.822 0.549 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.601 -3.817 1.472 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.084 -3.441 1.648 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.410 -2.633 2.553 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.938 -3.970 0.896 1.00 0.00 O ATOM 0 H GLU B 34 -8.381 -1.472 -0.939 1.00 0.00 H new ATOM 0 HA GLU B 34 -7.936 -2.993 1.398 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.035 -1.813 0.933 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.348 -2.860 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.524 -4.822 1.058 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.109 -3.834 2.444 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.026 -4.715 -1.420 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.606 -5.994 -1.968 1.00 0.00 C ATOM 1409 C ASP B 35 -6.105 -6.255 -1.862 1.00 0.00 C ATOM 1410 O ASP B 35 -5.716 -7.329 -1.410 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.049 -6.149 -3.420 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.545 -6.012 -3.732 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.394 -6.308 -2.856 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.852 -5.672 -4.900 1.00 0.00 O ATOM 0 H ASP B 35 -8.250 -4.010 -2.122 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.102 -6.740 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.514 -5.408 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.724 -7.130 -3.766 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.242 -5.292 -2.195 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.794 -5.462 -2.027 1.00 0.00 C ATOM 1421 C GLU B 36 -3.394 -5.781 -0.573 1.00 0.00 C ATOM 1422 O GLU B 36 -2.387 -6.451 -0.342 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.061 -4.201 -2.511 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.369 -3.685 -3.926 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.996 -4.628 -5.061 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.835 -5.851 -4.887 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.889 -4.184 -6.233 1.00 0.00 O ATOM 0 H GLU B 36 -5.518 -4.389 -2.581 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.500 -6.320 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.279 -3.397 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.990 -4.394 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.435 -3.469 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.843 -2.742 -4.073 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.203 -5.373 0.410 1.00 0.00 N ATOM 1435 CA GLU B 37 -3.934 -5.617 1.836 1.00 0.00 C ATOM 1436 C GLU B 37 -4.121 -7.096 2.220 1.00 0.00 C ATOM 1437 O GLU B 37 -3.390 -7.625 3.061 1.00 0.00 O ATOM 1438 CB GLU B 37 -4.847 -4.715 2.681 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.469 -4.712 4.168 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.282 -3.659 4.945 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.448 -3.936 5.316 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.752 -2.551 5.210 1.00 0.00 O ATOM 0 H GLU B 37 -5.069 -4.861 0.241 1.00 0.00 H new ATOM 0 HA GLU B 37 -2.890 -5.375 2.033 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.800 -3.696 2.297 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -5.879 -5.048 2.574 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.647 -5.700 4.594 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.404 -4.506 4.275 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.070 -7.774 1.564 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.364 -9.208 1.737 1.00 0.00 C ATOM 1451 C LYS B 38 -4.629 -10.103 0.744 1.00 0.00 C ATOM 1452 O LYS B 38 -4.304 -11.229 1.100 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.886 -9.429 1.746 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.631 -9.011 0.482 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.129 -9.290 0.648 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.892 -8.797 -0.583 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.432 -7.431 -0.372 1.00 0.00 N ATOM 0 H LYS B 38 -5.676 -7.328 0.875 1.00 0.00 H new ATOM 0 HA LYS B 38 -4.972 -9.516 2.706 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.078 -10.487 1.924 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.307 -8.882 2.590 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.468 -7.951 0.286 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.243 -9.557 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.295 -10.358 0.786 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.503 -8.791 1.542 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.230 -8.799 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -10.709 -9.483 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -10.261 -6.855 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.455 -7.486 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -9.959 -6.993 0.445 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.272 -9.602 -0.440 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.520 -10.306 -1.471 1.00 0.00 C ATOM 1473 C HIS B 39 -2.195 -10.901 -0.984 1.00 0.00 C ATOM 1474 O HIS B 39 -1.941 -12.076 -1.229 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.237 -9.301 -2.578 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.305 -9.095 -3.606 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.070 -8.439 -4.816 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.617 -9.461 -3.526 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.269 -8.424 -5.439 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.204 -9.046 -4.698 1.00 0.00 N ATOM 0 H HIS B 39 -4.512 -8.650 -0.715 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.120 -11.153 -1.805 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.025 -8.338 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.328 -9.613 -3.093 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.188 -8.056 -5.155 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.098 -9.974 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.452 -7.973 -6.403 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.180 -9.186 -4.960 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.351 -10.116 -0.304 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.011 -10.580 0.116 1.00 0.00 C ATOM 1490 C ILE B 40 -0.111 -11.795 1.050 1.00 0.00 C ATOM 1491 O ILE B 40 0.630 -12.765 0.882 1.00 0.00 O ATOM 1492 CB ILE B 40 0.824 -9.436 0.741 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.021 -8.305 -0.291 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.208 -9.943 1.190 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.823 -7.105 0.230 1.00 0.00 C ATOM 0 H ILE B 40 -1.566 -9.157 -0.030 1.00 0.00 H new ATOM 0 HA ILE B 40 0.520 -10.902 -0.780 1.00 0.00 H new ATOM 0 HB ILE B 40 0.282 -9.063 1.610 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.527 -8.712 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.042 -7.957 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.774 -9.119 1.625 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.083 -10.730 1.933 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.747 -10.339 0.329 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.914 -6.358 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.309 -6.668 1.086 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.817 -7.435 0.533 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.067 -11.789 1.983 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.367 -12.970 2.800 1.00 0.00 C ATOM 1509 C GLU B 41 -2.062 -14.075 1.997 1.00 0.00 C ATOM 1510 O GLU B 41 -1.667 -15.234 2.108 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.169 -12.582 4.054 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.261 -12.356 5.273 1.00 0.00 C ATOM 1513 CD GLU B 41 -0.255 -11.203 5.083 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -0.645 -10.020 5.237 1.00 0.00 O ATOM 1515 OE2 GLU B 41 0.942 -11.475 4.820 1.00 0.00 O ATOM 0 H GLU B 41 -1.648 -10.977 2.192 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.414 -13.386 3.128 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.738 -11.675 3.853 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.890 -13.367 4.280 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.881 -12.147 6.145 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.714 -13.275 5.484 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.018 -13.738 1.126 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.675 -14.692 0.214 1.00 0.00 C ATOM 1524 C TRP B 42 -2.678 -15.553 -0.581 1.00 0.00 C ATOM 1525 O TRP B 42 -2.826 -16.776 -0.613 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.633 -13.929 -0.718 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.015 -13.667 -0.221 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.508 -13.961 1.004 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.111 -13.044 -0.954 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.837 -13.599 1.065 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.272 -13.054 -0.126 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.238 -12.475 -2.239 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.509 -12.562 -0.570 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.460 -11.933 -2.676 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.596 -11.982 -1.849 1.00 0.00 C ATOM 0 H TRP B 42 -3.365 -12.784 1.030 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.244 -15.396 0.822 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.175 -12.970 -0.959 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.711 -14.488 -1.650 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.947 -14.410 1.810 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.426 -13.719 1.889 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.383 -12.455 -2.898 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.383 -12.628 0.062 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.526 -11.476 -3.653 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.535 -11.575 -2.195 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.626 -14.959 -1.160 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.607 -15.699 -1.920 1.00 0.00 C ATOM 1548 C LEU B 43 0.464 -16.403 -1.051 1.00 0.00 C ATOM 1549 O LEU B 43 1.348 -17.068 -1.588 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.060 -14.835 -3.068 1.00 0.00 C ATOM 1551 CG LEU B 43 1.007 -13.819 -2.646 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.363 -14.190 -3.227 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.711 -12.433 -3.206 1.00 0.00 C ATOM 0 H LEU B 43 -1.457 -13.954 -1.116 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.103 -16.552 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.362 -15.490 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.890 -14.301 -3.531 1.00 0.00 H new ATOM 0 HG LEU B 43 1.006 -13.822 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.106 -13.456 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.655 -15.177 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.301 -14.204 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.488 -11.738 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.689 -12.478 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.256 -12.091 -2.837 1.00 0.00 H new ATOM 1565 N GLU B 44 0.364 -16.319 0.283 1.00 0.00 N ATOM 1566 CA GLU B 44 1.260 -16.986 1.244 1.00 0.00 C ATOM 1567 C GLU B 44 0.540 -18.064 2.082 1.00 0.00 C ATOM 1568 O GLU B 44 1.144 -19.085 2.409 1.00 0.00 O ATOM 1569 CB GLU B 44 1.931 -15.932 2.143 1.00 0.00 C ATOM 1570 CG GLU B 44 3.176 -16.487 2.852 1.00 0.00 C ATOM 1571 CD GLU B 44 3.768 -15.469 3.845 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.340 -15.453 5.026 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.687 -14.704 3.467 1.00 0.00 O ATOM 0 H GLU B 44 -0.364 -15.769 0.739 1.00 0.00 H new ATOM 0 HA GLU B 44 2.026 -17.513 0.675 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.212 -15.068 1.541 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.216 -15.582 2.887 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.915 -17.403 3.382 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.929 -16.752 2.110 1.00 0.00 H new ATOM 1580 N THR B 45 -0.765 -17.920 2.357 1.00 0.00 N ATOM 1581 CA THR B 45 -1.606 -18.945 3.016 1.00 0.00 C ATOM 1582 C THR B 45 -1.564 -20.299 2.291 1.00 0.00 C ATOM 1583 O THR B 45 -1.622 -21.347 2.934 1.00 0.00 O ATOM 1584 CB THR B 45 -3.062 -18.449 3.145 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.112 -17.276 3.931 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.010 -19.448 3.812 1.00 0.00 C ATOM 0 H THR B 45 -1.281 -17.072 2.125 1.00 0.00 H new ATOM 0 HA THR B 45 -1.191 -19.103 4.011 1.00 0.00 H new ATOM 0 HB THR B 45 -3.388 -18.286 2.118 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.675 -16.542 3.451 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.012 -19.021 3.863 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.037 -20.369 3.229 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.657 -19.667 4.820 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.364 -20.288 0.966 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.132 -21.472 0.116 1.00 0.00 C ATOM 1596 C ILE B 46 -0.019 -22.389 0.673 1.00 0.00 C ATOM 1597 O ILE B 46 -0.094 -23.613 0.545 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.793 -21.006 -1.328 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.952 -20.172 -1.934 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.459 -22.197 -2.243 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.661 -19.570 -3.316 1.00 0.00 C ATOM 0 H ILE B 46 -1.359 -19.419 0.431 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.045 -22.067 0.107 1.00 0.00 H new ATOM 0 HB ILE B 46 0.091 -20.372 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.836 -20.806 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.197 -19.363 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.227 -21.833 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.402 -22.733 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.315 -22.870 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.529 -19.005 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.799 -18.906 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -1.448 -20.371 -4.024 1.00 0.00 H new