USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 8 LYS NZ :NH3+ 159:sc= 0.781 (180deg=0.528) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.361 USER MOD Set 2.1: A 64 ASN : amide:sc= 0.0131 X(o=0.043,f=-0.088) USER MOD Set 2.2: A 66 THR OG1 : rot -120:sc= 0.0301 USER MOD Set 3.1: A 58 THR OG1 : rot 157:sc= 0.117 USER MOD Set 3.2: A 63 TYR OH : rot 180:sc= 0.277 USER MOD Single : A 4 SER OG : rot 180:sc= -0.642 USER MOD Single : A 11 THR OG1 : rot -75:sc= -0.35 USER MOD Single : A 12 THR OG1 : rot 79:sc= 0.338 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -0.662 (180deg=-2.54!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : A 31 MET CE :methyl -162:sc= 0 (180deg=-0.612) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0.57 (180deg=0.185) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.744 (180deg=0.744) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 44 GLN : amide:sc= -0.622 K(o=-0.62,f=0) USER MOD Single : A 49 TYR OH : rot -89:sc=0.000341 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 74 LYS NZ :NH3+ -110:sc= 0.473 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.128 -3.280 -1.566 1.00 0.00 N ATOM 29 CA SER A 4 -3.996 -2.126 -1.800 1.00 0.00 C ATOM 30 C SER A 4 -3.443 -1.284 -2.965 1.00 0.00 C ATOM 31 O SER A 4 -2.305 -1.500 -3.416 1.00 0.00 O ATOM 32 CB SER A 4 -4.074 -1.281 -0.512 1.00 0.00 C ATOM 33 OG SER A 4 -4.554 -2.044 0.578 1.00 0.00 O ATOM 0 HA SER A 4 -4.997 -2.465 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.086 -0.885 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.729 -0.425 -0.676 1.00 0.00 H new ATOM 0 HG SER A 4 -4.591 -1.482 1.380 1.00 0.00 H new ATOM 39 N LEU A 5 -4.245 -0.307 -3.414 1.00 0.00 N ATOM 40 CA LEU A 5 -3.918 0.602 -4.532 1.00 0.00 C ATOM 41 C LEU A 5 -4.656 1.944 -4.359 1.00 0.00 C ATOM 42 O LEU A 5 -5.825 1.970 -3.959 1.00 0.00 O ATOM 43 CB LEU A 5 -4.215 -0.077 -5.909 1.00 0.00 C ATOM 44 CG LEU A 5 -5.556 -0.884 -6.080 1.00 0.00 C ATOM 45 CD1 LEU A 5 -6.794 0.024 -6.244 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.447 -1.871 -7.260 1.00 0.00 C ATOM 0 H LEU A 5 -5.160 -0.120 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.849 0.817 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.198 0.701 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.391 -0.756 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.702 -1.442 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.685 -0.593 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.900 0.657 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.671 0.650 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.383 -2.420 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.247 -1.319 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.634 -2.572 -7.074 1.00 0.00 H new ATOM 58 N GLU A 6 -3.970 3.059 -4.659 1.00 0.00 N ATOM 59 CA GLU A 6 -4.486 4.405 -4.380 1.00 0.00 C ATOM 60 C GLU A 6 -5.222 4.975 -5.597 1.00 0.00 C ATOM 61 O GLU A 6 -4.606 5.310 -6.612 1.00 0.00 O ATOM 62 CB GLU A 6 -3.349 5.352 -3.936 1.00 0.00 C ATOM 63 CG GLU A 6 -3.840 6.745 -3.496 1.00 0.00 C ATOM 64 CD GLU A 6 -2.703 7.643 -3.016 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.345 7.578 -1.827 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.142 8.403 -3.831 1.00 0.00 O ATOM 0 H GLU A 6 -3.049 3.051 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.200 4.325 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.805 4.891 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.643 5.468 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.351 7.226 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.572 6.632 -2.696 1.00 0.00 H new ATOM 73 N ILE A 7 -6.552 5.056 -5.491 1.00 0.00 N ATOM 74 CA ILE A 7 -7.410 5.678 -6.510 1.00 0.00 C ATOM 75 C ILE A 7 -7.942 7.024 -5.994 1.00 0.00 C ATOM 76 O ILE A 7 -7.660 7.426 -4.858 1.00 0.00 O ATOM 77 CB ILE A 7 -8.609 4.740 -6.894 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.529 4.469 -5.651 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.080 3.418 -7.503 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.837 3.764 -5.959 1.00 0.00 C ATOM 0 H ILE A 7 -7.069 4.690 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.810 5.843 -7.405 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.217 5.242 -7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.972 3.870 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.752 5.421 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.921 2.776 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.498 3.637 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.448 2.909 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.400 3.623 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.422 4.369 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.630 2.793 -6.410 1.00 0.00 H new ATOM 92 N LYS A 8 -8.711 7.718 -6.843 1.00 0.00 N ATOM 93 CA LYS A 8 -9.311 9.024 -6.521 1.00 0.00 C ATOM 94 C LYS A 8 -10.792 9.013 -6.910 1.00 0.00 C ATOM 95 O LYS A 8 -11.148 8.400 -7.911 1.00 0.00 O ATOM 96 CB LYS A 8 -8.557 10.138 -7.281 1.00 0.00 C ATOM 97 CG LYS A 8 -7.022 10.220 -6.983 1.00 0.00 C ATOM 98 CD LYS A 8 -6.142 9.971 -8.231 1.00 0.00 C ATOM 99 CE LYS A 8 -6.349 11.046 -9.313 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.539 10.794 -10.530 1.00 0.00 N ATOM 0 H LYS A 8 -8.937 7.388 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.231 9.216 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.696 9.985 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.012 11.097 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.790 11.203 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.768 9.488 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.093 9.953 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.373 8.990 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.404 11.084 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.089 12.022 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.955 11.304 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.566 11.126 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.528 9.774 -10.735 1.00 0.00 H new ATOM 114 N ILE A 9 -11.663 9.655 -6.103 1.00 0.00 N ATOM 115 CA ILE A 9 -13.109 9.738 -6.391 1.00 0.00 C ATOM 116 C ILE A 9 -13.546 11.219 -6.396 1.00 0.00 C ATOM 117 O ILE A 9 -13.759 11.815 -5.330 1.00 0.00 O ATOM 118 CB ILE A 9 -14.019 8.931 -5.360 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.640 7.402 -5.257 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.519 9.074 -5.732 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.423 7.085 -4.402 1.00 0.00 C ATOM 0 H ILE A 9 -11.386 10.126 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.255 9.276 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.833 9.373 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.496 6.860 -4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.465 7.021 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.126 8.517 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.802 10.126 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.685 8.679 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.251 6.009 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.549 7.591 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.596 7.428 -3.382 1.00 0.00 H new ATOM 133 N ARG A 10 -13.623 11.822 -7.595 1.00 0.00 N ATOM 134 CA ARG A 10 -14.197 13.167 -7.776 1.00 0.00 C ATOM 135 C ARG A 10 -15.702 13.143 -7.428 1.00 0.00 C ATOM 136 O ARG A 10 -16.467 12.408 -8.043 1.00 0.00 O ATOM 137 CB ARG A 10 -14.012 13.660 -9.237 1.00 0.00 C ATOM 138 CG ARG A 10 -14.617 15.062 -9.517 1.00 0.00 C ATOM 139 CD ARG A 10 -14.673 15.415 -11.013 1.00 0.00 C ATOM 140 NE ARG A 10 -15.320 16.724 -11.238 1.00 0.00 N ATOM 141 CZ ARG A 10 -16.360 16.951 -12.060 1.00 0.00 C ATOM 142 NH1 ARG A 10 -16.910 15.967 -12.746 1.00 0.00 N ATOM 143 NH2 ARG A 10 -16.854 18.169 -12.185 1.00 0.00 N ATOM 0 H ARG A 10 -13.292 11.395 -8.460 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.674 13.853 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.947 13.683 -9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.469 12.938 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.625 15.104 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.027 15.815 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.663 15.433 -11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.220 14.641 -11.550 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.946 17.523 -10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.547 15.018 -12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.698 16.155 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.447 18.941 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.643 18.338 -12.809 1.00 0.00 H new ATOM 157 N THR A 11 -16.106 13.931 -6.436 1.00 0.00 N ATOM 158 CA THR A 11 -17.507 14.017 -6.007 1.00 0.00 C ATOM 159 C THR A 11 -18.345 14.928 -6.930 1.00 0.00 C ATOM 160 O THR A 11 -17.813 15.593 -7.830 1.00 0.00 O ATOM 161 CB THR A 11 -17.566 14.581 -4.560 1.00 0.00 C ATOM 162 OG1 THR A 11 -16.964 15.883 -4.540 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.840 13.680 -3.563 1.00 0.00 C ATOM 0 H THR A 11 -15.475 14.530 -5.904 1.00 0.00 H new ATOM 0 HA THR A 11 -17.927 13.012 -6.053 1.00 0.00 H new ATOM 0 HB THR A 11 -18.614 14.632 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.989 15.794 -4.590 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.907 14.113 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.302 12.693 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.792 13.590 -3.850 1.00 0.00 H new ATOM 171 N THR A 12 -19.661 14.962 -6.661 1.00 0.00 N ATOM 172 CA THR A 12 -20.578 15.981 -7.208 1.00 0.00 C ATOM 173 C THR A 12 -20.208 17.387 -6.686 1.00 0.00 C ATOM 174 O THR A 12 -20.537 18.400 -7.315 1.00 0.00 O ATOM 175 CB THR A 12 -22.052 15.642 -6.822 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.110 15.222 -5.447 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.657 14.553 -7.714 1.00 0.00 C ATOM 0 H THR A 12 -20.122 14.282 -6.056 1.00 0.00 H new ATOM 0 HA THR A 12 -20.483 15.978 -8.294 1.00 0.00 H new ATOM 0 HB THR A 12 -22.640 16.548 -6.968 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.074 16.008 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.683 14.356 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.651 14.887 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.068 13.640 -7.623 1.00 0.00 H new ATOM 185 N GLU A 13 -19.529 17.419 -5.515 1.00 0.00 N ATOM 186 CA GLU A 13 -19.022 18.659 -4.896 1.00 0.00 C ATOM 187 C GLU A 13 -17.785 19.185 -5.664 1.00 0.00 C ATOM 188 O GLU A 13 -17.393 20.340 -5.504 1.00 0.00 O ATOM 189 CB GLU A 13 -18.652 18.405 -3.397 1.00 0.00 C ATOM 190 CG GLU A 13 -19.674 17.561 -2.589 1.00 0.00 C ATOM 191 CD GLU A 13 -21.125 18.068 -2.688 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.982 17.363 -3.270 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.416 19.174 -2.200 1.00 0.00 O ATOM 0 H GLU A 13 -19.319 16.580 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.808 19.412 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.684 17.905 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.532 19.369 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.636 16.530 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.374 17.552 -1.541 1.00 0.00 H new ATOM 200 N GLY A 14 -17.165 18.301 -6.476 1.00 0.00 N ATOM 201 CA GLY A 14 -16.003 18.646 -7.301 1.00 0.00 C ATOM 202 C GLY A 14 -14.691 18.146 -6.710 1.00 0.00 C ATOM 203 O GLY A 14 -13.736 17.879 -7.458 1.00 0.00 O ATOM 0 H GLY A 14 -17.462 17.330 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.132 18.223 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.955 19.729 -7.418 1.00 0.00 H new ATOM 207 N ARG A 15 -14.645 18.024 -5.362 1.00 0.00 N ATOM 208 CA ARG A 15 -13.436 17.591 -4.627 1.00 0.00 C ATOM 209 C ARG A 15 -13.060 16.130 -4.980 1.00 0.00 C ATOM 210 O ARG A 15 -13.925 15.252 -5.034 1.00 0.00 O ATOM 211 CB ARG A 15 -13.635 17.742 -3.097 1.00 0.00 C ATOM 212 CG ARG A 15 -14.777 16.886 -2.504 1.00 0.00 C ATOM 213 CD ARG A 15 -14.892 17.004 -0.984 1.00 0.00 C ATOM 214 NE ARG A 15 -15.322 18.351 -0.558 1.00 0.00 N ATOM 215 CZ ARG A 15 -14.661 19.165 0.288 1.00 0.00 C ATOM 216 NH1 ARG A 15 -13.458 18.853 0.746 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.215 20.310 0.644 1.00 0.00 N ATOM 0 H ARG A 15 -15.442 18.222 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.614 18.238 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.704 17.477 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.831 18.790 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.721 17.187 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.615 15.841 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.604 16.265 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.929 16.772 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.202 18.698 -0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.013 17.981 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.976 19.485 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.132 20.568 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.726 20.936 1.284 1.00 0.00 H new ATOM 231 N THR A 16 -11.769 15.894 -5.222 1.00 0.00 N ATOM 232 CA THR A 16 -11.247 14.586 -5.644 1.00 0.00 C ATOM 233 C THR A 16 -10.643 13.849 -4.421 1.00 0.00 C ATOM 234 O THR A 16 -9.632 14.285 -3.862 1.00 0.00 O ATOM 235 CB THR A 16 -10.191 14.796 -6.778 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.758 15.624 -7.811 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.726 13.477 -7.405 1.00 0.00 C ATOM 0 H THR A 16 -11.048 16.609 -5.131 1.00 0.00 H new ATOM 0 HA THR A 16 -12.050 13.965 -6.041 1.00 0.00 H new ATOM 0 HB THR A 16 -9.323 15.272 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.097 15.758 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.994 13.683 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.272 12.850 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.581 12.958 -7.838 1.00 0.00 H new ATOM 245 N LEU A 17 -11.298 12.744 -4.008 1.00 0.00 N ATOM 246 CA LEU A 17 -10.993 12.012 -2.757 1.00 0.00 C ATOM 247 C LEU A 17 -9.953 10.914 -3.016 1.00 0.00 C ATOM 248 O LEU A 17 -10.295 9.827 -3.494 1.00 0.00 O ATOM 249 CB LEU A 17 -12.297 11.402 -2.180 1.00 0.00 C ATOM 250 CG LEU A 17 -13.471 12.405 -1.972 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.751 11.679 -1.528 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.093 13.535 -0.985 1.00 0.00 C ATOM 0 H LEU A 17 -12.063 12.328 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.575 12.709 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.633 10.609 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.067 10.935 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.671 12.874 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.552 12.405 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.043 10.956 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.567 11.160 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.938 14.213 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.837 13.103 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.237 14.086 -1.374 1.00 0.00 H new ATOM 264 N THR A 18 -8.691 11.218 -2.710 1.00 0.00 N ATOM 265 CA THR A 18 -7.559 10.314 -2.957 1.00 0.00 C ATOM 266 C THR A 18 -7.413 9.314 -1.786 1.00 0.00 C ATOM 267 O THR A 18 -6.893 9.670 -0.719 1.00 0.00 O ATOM 268 CB THR A 18 -6.249 11.152 -3.144 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.502 12.230 -4.055 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.076 10.311 -3.675 1.00 0.00 C ATOM 0 H THR A 18 -8.420 12.103 -2.281 1.00 0.00 H new ATOM 0 HA THR A 18 -7.740 9.744 -3.868 1.00 0.00 H new ATOM 0 HB THR A 18 -5.964 11.528 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.684 12.757 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.195 10.944 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.859 9.505 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.341 9.887 -4.643 1.00 0.00 H new ATOM 278 N VAL A 19 -7.922 8.081 -1.980 1.00 0.00 N ATOM 279 CA VAL A 19 -7.903 7.007 -0.960 1.00 0.00 C ATOM 280 C VAL A 19 -7.292 5.729 -1.545 1.00 0.00 C ATOM 281 O VAL A 19 -7.369 5.495 -2.757 1.00 0.00 O ATOM 282 CB VAL A 19 -9.353 6.682 -0.404 1.00 0.00 C ATOM 283 CG1 VAL A 19 -9.988 7.922 0.269 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.290 6.118 -1.513 1.00 0.00 C ATOM 0 H VAL A 19 -8.362 7.798 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.295 7.368 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.235 5.906 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.981 7.667 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.362 8.245 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.069 8.729 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.272 5.909 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.389 6.851 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.866 5.198 -1.915 1.00 0.00 H new ATOM 294 N ASP A 20 -6.693 4.896 -0.681 1.00 0.00 N ATOM 295 CA ASP A 20 -6.186 3.577 -1.085 1.00 0.00 C ATOM 296 C ASP A 20 -7.177 2.499 -0.632 1.00 0.00 C ATOM 297 O ASP A 20 -7.731 2.568 0.474 1.00 0.00 O ATOM 298 CB ASP A 20 -4.755 3.303 -0.541 1.00 0.00 C ATOM 299 CG ASP A 20 -4.698 2.954 0.958 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.789 3.876 1.801 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.541 1.757 1.298 1.00 0.00 O ATOM 0 H ASP A 20 -6.548 5.114 0.305 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.102 3.556 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.315 2.483 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.137 4.183 -0.720 1.00 0.00 H new ATOM 306 N VAL A 21 -7.422 1.535 -1.520 1.00 0.00 N ATOM 307 CA VAL A 21 -8.357 0.415 -1.317 1.00 0.00 C ATOM 308 C VAL A 21 -7.803 -0.841 -1.999 1.00 0.00 C ATOM 309 O VAL A 21 -7.015 -0.751 -2.944 1.00 0.00 O ATOM 310 CB VAL A 21 -9.787 0.727 -1.907 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.577 1.733 -1.032 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.661 1.238 -3.369 1.00 0.00 C ATOM 0 H VAL A 21 -6.964 1.506 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.458 0.259 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.356 -0.203 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.554 1.915 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.707 1.321 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.026 2.671 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.653 1.450 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.061 2.148 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.180 0.475 -3.981 1.00 0.00 H new ATOM 322 N LYS A 22 -8.241 -2.006 -1.530 1.00 0.00 N ATOM 323 CA LYS A 22 -7.794 -3.296 -2.067 1.00 0.00 C ATOM 324 C LYS A 22 -8.655 -3.668 -3.296 1.00 0.00 C ATOM 325 O LYS A 22 -9.868 -3.479 -3.253 1.00 0.00 O ATOM 326 CB LYS A 22 -7.883 -4.364 -0.954 1.00 0.00 C ATOM 327 CG LYS A 22 -7.233 -3.925 0.379 1.00 0.00 C ATOM 328 CD LYS A 22 -7.187 -5.029 1.457 1.00 0.00 C ATOM 329 CE LYS A 22 -6.078 -6.084 1.233 1.00 0.00 C ATOM 330 NZ LYS A 22 -6.236 -6.870 -0.020 1.00 0.00 N ATOM 0 H LYS A 22 -8.915 -2.087 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.757 -3.237 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.931 -4.604 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.401 -5.278 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.217 -3.586 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.783 -3.071 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.040 -4.564 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.153 -5.533 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.111 -5.582 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.066 -6.769 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.804 -7.808 0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.247 -6.980 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.767 -6.372 -0.804 1.00 0.00 H new ATOM 344 N PRO A 23 -8.048 -4.180 -4.417 1.00 0.00 N ATOM 345 CA PRO A 23 -8.800 -4.510 -5.660 1.00 0.00 C ATOM 346 C PRO A 23 -9.826 -5.656 -5.478 1.00 0.00 C ATOM 347 O PRO A 23 -10.756 -5.789 -6.276 1.00 0.00 O ATOM 348 CB PRO A 23 -7.684 -4.887 -6.668 1.00 0.00 C ATOM 349 CG PRO A 23 -6.531 -5.320 -5.810 1.00 0.00 C ATOM 350 CD PRO A 23 -6.594 -4.456 -4.571 1.00 0.00 C ATOM 0 HA PRO A 23 -9.417 -3.674 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.005 -5.688 -7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.414 -4.038 -7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.609 -6.377 -5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.583 -5.187 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.188 -4.972 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.021 -3.537 -4.693 1.00 0.00 H new ATOM 358 N ASP A 24 -9.657 -6.468 -4.416 1.00 0.00 N ATOM 359 CA ASP A 24 -10.584 -7.576 -4.099 1.00 0.00 C ATOM 360 C ASP A 24 -11.852 -7.077 -3.374 1.00 0.00 C ATOM 361 O ASP A 24 -12.791 -7.852 -3.166 1.00 0.00 O ATOM 362 CB ASP A 24 -9.865 -8.666 -3.256 1.00 0.00 C ATOM 363 CG ASP A 24 -9.482 -8.205 -1.836 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.460 -7.514 -1.686 1.00 0.00 O ATOM 365 OD2 ASP A 24 -10.202 -8.540 -0.868 1.00 0.00 O ATOM 0 H ASP A 24 -8.882 -6.377 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.901 -8.016 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.512 -9.540 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.963 -8.981 -3.781 1.00 0.00 H new ATOM 370 N ARG A 25 -11.871 -5.782 -2.990 1.00 0.00 N ATOM 371 CA ARG A 25 -13.029 -5.152 -2.319 1.00 0.00 C ATOM 372 C ARG A 25 -14.191 -4.955 -3.301 1.00 0.00 C ATOM 373 O ARG A 25 -14.003 -5.026 -4.516 1.00 0.00 O ATOM 374 CB ARG A 25 -12.618 -3.785 -1.707 1.00 0.00 C ATOM 375 CG ARG A 25 -11.554 -3.871 -0.592 1.00 0.00 C ATOM 376 CD ARG A 25 -12.059 -4.576 0.672 1.00 0.00 C ATOM 377 NE ARG A 25 -10.979 -4.795 1.649 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.030 -4.482 2.956 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.059 -3.830 3.463 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.032 -4.824 3.745 1.00 0.00 N ATOM 0 H ARG A 25 -11.087 -5.146 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.360 -5.817 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.239 -3.145 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.508 -3.300 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.681 -4.402 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.227 -2.864 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.847 -3.979 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.502 -5.534 0.400 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.118 -5.221 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.835 -3.554 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.079 -3.602 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.228 -5.323 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.063 -4.590 4.737 1.00 0.00 H new ATOM 394 N THR A 26 -15.391 -4.710 -2.760 1.00 0.00 N ATOM 395 CA THR A 26 -16.580 -4.393 -3.561 1.00 0.00 C ATOM 396 C THR A 26 -16.681 -2.878 -3.763 1.00 0.00 C ATOM 397 O THR A 26 -16.024 -2.102 -3.058 1.00 0.00 O ATOM 398 CB THR A 26 -17.878 -4.938 -2.889 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.972 -4.450 -1.541 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.917 -6.477 -2.885 1.00 0.00 C ATOM 0 H THR A 26 -15.565 -4.726 -1.755 1.00 0.00 H new ATOM 0 HA THR A 26 -16.479 -4.880 -4.531 1.00 0.00 H new ATOM 0 HB THR A 26 -18.727 -4.582 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.790 -4.794 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.837 -6.816 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.883 -6.844 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.059 -6.861 -2.333 1.00 0.00 H new ATOM 408 N ILE A 27 -17.489 -2.454 -4.745 1.00 0.00 N ATOM 409 CA ILE A 27 -17.722 -1.028 -5.022 1.00 0.00 C ATOM 410 C ILE A 27 -18.488 -0.395 -3.836 1.00 0.00 C ATOM 411 O ILE A 27 -18.385 0.807 -3.608 1.00 0.00 O ATOM 412 CB ILE A 27 -18.488 -0.828 -6.390 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.719 -1.489 -7.577 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.782 0.663 -6.698 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.355 -0.893 -7.890 1.00 0.00 C ATOM 0 H ILE A 27 -17.997 -3.084 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.763 -0.521 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.449 -1.330 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.591 -2.549 -7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.339 -1.421 -8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.309 0.741 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.400 1.083 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.844 1.214 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.909 -1.426 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.468 0.160 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.709 -0.986 -7.017 1.00 0.00 H new ATOM 427 N GLU A 28 -19.215 -1.248 -3.056 1.00 0.00 N ATOM 428 CA GLU A 28 -19.852 -0.851 -1.775 1.00 0.00 C ATOM 429 C GLU A 28 -18.833 -0.190 -0.839 1.00 0.00 C ATOM 430 O GLU A 28 -19.127 0.847 -0.249 1.00 0.00 O ATOM 431 CB GLU A 28 -20.476 -2.071 -1.044 1.00 0.00 C ATOM 432 CG GLU A 28 -21.598 -2.781 -1.814 1.00 0.00 C ATOM 433 CD GLU A 28 -22.297 -3.881 -1.015 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.770 -5.009 -0.955 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.382 -3.622 -0.446 1.00 0.00 O ATOM 0 H GLU A 28 -19.372 -2.225 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.641 -0.142 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.687 -2.793 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.869 -1.739 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.338 -2.042 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.183 -3.214 -2.724 1.00 0.00 H new ATOM 442 N GLU A 29 -17.638 -0.825 -0.728 1.00 0.00 N ATOM 443 CA GLU A 29 -16.494 -0.294 0.034 1.00 0.00 C ATOM 444 C GLU A 29 -16.190 1.138 -0.389 1.00 0.00 C ATOM 445 O GLU A 29 -16.127 2.010 0.457 1.00 0.00 O ATOM 446 CB GLU A 29 -15.234 -1.194 -0.157 1.00 0.00 C ATOM 447 CG GLU A 29 -15.274 -2.545 0.584 1.00 0.00 C ATOM 448 CD GLU A 29 -15.095 -2.385 2.104 1.00 0.00 C ATOM 449 OE1 GLU A 29 -13.990 -1.988 2.532 1.00 0.00 O ATOM 450 OE2 GLU A 29 -16.040 -2.652 2.870 1.00 0.00 O ATOM 0 H GLU A 29 -17.447 -1.724 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.760 -0.297 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.102 -1.386 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.357 -0.640 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.225 -3.039 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.489 -3.193 0.195 1.00 0.00 H new ATOM 457 N LEU A 30 -16.069 1.362 -1.715 1.00 0.00 N ATOM 458 CA LEU A 30 -15.767 2.690 -2.289 1.00 0.00 C ATOM 459 C LEU A 30 -16.816 3.724 -1.876 1.00 0.00 C ATOM 460 O LEU A 30 -16.462 4.819 -1.454 1.00 0.00 O ATOM 461 CB LEU A 30 -15.697 2.628 -3.836 1.00 0.00 C ATOM 462 CG LEU A 30 -14.679 1.614 -4.434 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.663 1.669 -5.979 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.268 1.835 -3.858 1.00 0.00 C ATOM 0 H LEU A 30 -16.178 0.629 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.795 2.992 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.689 2.382 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.450 3.622 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.007 0.616 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.941 0.948 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.655 1.428 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.382 2.671 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.579 1.112 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.932 2.845 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.292 1.705 -2.776 1.00 0.00 H new ATOM 476 N MET A 31 -18.102 3.331 -1.996 1.00 0.00 N ATOM 477 CA MET A 31 -19.263 4.174 -1.653 1.00 0.00 C ATOM 478 C MET A 31 -19.216 4.608 -0.167 1.00 0.00 C ATOM 479 O MET A 31 -19.642 5.712 0.188 1.00 0.00 O ATOM 480 CB MET A 31 -20.592 3.427 -1.976 1.00 0.00 C ATOM 481 CG MET A 31 -20.693 2.875 -3.411 1.00 0.00 C ATOM 482 SD MET A 31 -22.385 2.577 -3.974 1.00 0.00 S ATOM 483 CE MET A 31 -22.877 4.213 -4.524 1.00 0.00 C ATOM 0 H MET A 31 -18.364 2.407 -2.339 1.00 0.00 H new ATOM 0 HA MET A 31 -19.221 5.077 -2.262 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.707 2.600 -1.275 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.426 4.108 -1.805 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.214 3.577 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.133 1.942 -3.469 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.964 4.262 -4.593 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.525 4.958 -3.810 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.442 4.414 -5.503 1.00 0.00 H new ATOM 493 N GLU A 32 -18.665 3.727 0.680 1.00 0.00 N ATOM 494 CA GLU A 32 -18.500 3.975 2.122 1.00 0.00 C ATOM 495 C GLU A 32 -17.271 4.855 2.418 1.00 0.00 C ATOM 496 O GLU A 32 -17.296 5.652 3.360 1.00 0.00 O ATOM 497 CB GLU A 32 -18.388 2.627 2.854 1.00 0.00 C ATOM 498 CG GLU A 32 -19.658 1.755 2.736 1.00 0.00 C ATOM 499 CD GLU A 32 -19.550 0.399 3.446 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.963 0.293 4.623 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.038 -0.564 2.836 1.00 0.00 O ATOM 0 H GLU A 32 -18.318 2.815 0.383 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.373 4.520 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.539 2.074 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.180 2.811 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.504 2.304 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.874 1.585 1.681 1.00 0.00 H new ATOM 508 N LYS A 33 -16.201 4.683 1.615 1.00 0.00 N ATOM 509 CA LYS A 33 -14.965 5.485 1.745 1.00 0.00 C ATOM 510 C LYS A 33 -15.273 6.959 1.433 1.00 0.00 C ATOM 511 O LYS A 33 -15.000 7.836 2.238 1.00 0.00 O ATOM 512 CB LYS A 33 -13.799 4.991 0.825 1.00 0.00 C ATOM 513 CG LYS A 33 -13.460 3.481 0.874 1.00 0.00 C ATOM 514 CD LYS A 33 -13.510 2.868 2.293 1.00 0.00 C ATOM 515 CE LYS A 33 -13.157 1.368 2.287 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.386 0.728 3.604 1.00 0.00 N ATOM 0 H LYS A 33 -16.168 3.992 0.865 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.624 5.367 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.046 5.250 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.900 5.549 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.157 2.942 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.463 3.330 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.816 3.401 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.507 3.004 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.755 0.860 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.112 1.245 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.635 -0.272 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.521 0.793 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.164 1.213 4.095 1.00 0.00 H new ATOM 530 N LEU A 34 -15.876 7.208 0.258 1.00 0.00 N ATOM 531 CA LEU A 34 -16.250 8.568 -0.172 1.00 0.00 C ATOM 532 C LEU A 34 -17.293 9.180 0.781 1.00 0.00 C ATOM 533 O LEU A 34 -17.270 10.388 1.016 1.00 0.00 O ATOM 534 CB LEU A 34 -16.704 8.561 -1.668 1.00 0.00 C ATOM 535 CG LEU A 34 -17.871 7.590 -2.054 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.269 8.228 -1.890 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.684 7.017 -3.473 1.00 0.00 C ATOM 0 H LEU A 34 -16.116 6.481 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.375 9.216 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.004 9.574 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.839 8.312 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.823 6.764 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.034 7.505 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.415 8.523 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.345 9.107 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.512 6.348 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.662 7.833 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.746 6.464 -3.521 1.00 0.00 H new ATOM 549 N LYS A 35 -18.167 8.334 1.370 1.00 0.00 N ATOM 550 CA LYS A 35 -19.116 8.767 2.418 1.00 0.00 C ATOM 551 C LYS A 35 -18.371 9.308 3.661 1.00 0.00 C ATOM 552 O LYS A 35 -18.697 10.379 4.156 1.00 0.00 O ATOM 553 CB LYS A 35 -20.061 7.599 2.812 1.00 0.00 C ATOM 554 CG LYS A 35 -20.990 7.878 4.023 1.00 0.00 C ATOM 555 CD LYS A 35 -21.967 9.062 3.800 1.00 0.00 C ATOM 556 CE LYS A 35 -22.751 9.435 5.071 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.815 10.440 4.801 1.00 0.00 N ATOM 0 H LYS A 35 -18.234 7.344 1.136 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.718 9.579 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.680 7.348 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.454 6.722 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.566 6.979 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.377 8.085 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.405 9.931 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.670 8.803 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.201 8.537 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.062 9.829 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.316 10.661 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.385 11.307 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.488 10.055 4.108 1.00 0.00 H new ATOM 571 N GLU A 36 -17.357 8.576 4.152 1.00 0.00 N ATOM 572 CA GLU A 36 -16.613 8.972 5.373 1.00 0.00 C ATOM 573 C GLU A 36 -15.588 10.098 5.076 1.00 0.00 C ATOM 574 O GLU A 36 -15.015 10.679 6.005 1.00 0.00 O ATOM 575 CB GLU A 36 -15.933 7.736 6.031 1.00 0.00 C ATOM 576 CG GLU A 36 -14.798 7.103 5.202 1.00 0.00 C ATOM 577 CD GLU A 36 -14.245 5.799 5.792 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.396 5.862 6.711 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.651 4.705 5.341 1.00 0.00 O ATOM 0 H GLU A 36 -17.030 7.708 3.728 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.332 9.376 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.533 8.033 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.693 6.978 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.164 6.907 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.984 7.822 5.111 1.00 0.00 H new ATOM 586 N GLN A 37 -15.364 10.397 3.772 1.00 0.00 N ATOM 587 CA GLN A 37 -14.486 11.507 3.331 1.00 0.00 C ATOM 588 C GLN A 37 -15.263 12.840 3.265 1.00 0.00 C ATOM 589 O GLN A 37 -15.005 13.757 4.048 1.00 0.00 O ATOM 590 CB GLN A 37 -13.847 11.187 1.950 1.00 0.00 C ATOM 591 CG GLN A 37 -12.852 10.015 1.925 1.00 0.00 C ATOM 592 CD GLN A 37 -11.541 10.298 2.663 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.411 10.050 3.859 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.566 10.832 1.946 1.00 0.00 N ATOM 0 H GLN A 37 -15.785 9.878 3.001 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.690 11.613 4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.648 10.974 1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.335 12.080 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.326 9.140 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.627 9.764 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.709 11.025 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.671 11.051 2.385 1.00 0.00 H new ATOM 603 N THR A 38 -16.221 12.933 2.326 1.00 0.00 N ATOM 604 CA THR A 38 -16.951 14.196 2.022 1.00 0.00 C ATOM 605 C THR A 38 -18.294 14.286 2.786 1.00 0.00 C ATOM 606 O THR A 38 -18.826 15.386 2.976 1.00 0.00 O ATOM 607 CB THR A 38 -17.184 14.355 0.476 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.900 15.564 0.168 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.933 13.167 -0.120 1.00 0.00 C ATOM 0 H THR A 38 -16.517 12.143 1.753 1.00 0.00 H new ATOM 0 HA THR A 38 -16.322 15.018 2.364 1.00 0.00 H new ATOM 0 HB THR A 38 -16.191 14.402 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.026 15.632 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.070 13.323 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.358 12.255 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.907 13.073 0.361 1.00 0.00 H new ATOM 617 N GLY A 39 -18.834 13.133 3.221 1.00 0.00 N ATOM 618 CA GLY A 39 -20.084 13.092 4.000 1.00 0.00 C ATOM 619 C GLY A 39 -21.348 12.947 3.165 1.00 0.00 C ATOM 620 O GLY A 39 -22.444 12.838 3.728 1.00 0.00 O ATOM 0 H GLY A 39 -18.423 12.216 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.031 12.260 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.158 14.005 4.591 1.00 0.00 H new ATOM 624 N VAL A 40 -21.208 12.944 1.828 1.00 0.00 N ATOM 625 CA VAL A 40 -22.359 12.843 0.911 1.00 0.00 C ATOM 626 C VAL A 40 -22.899 11.376 0.912 1.00 0.00 C ATOM 627 O VAL A 40 -22.102 10.430 0.804 1.00 0.00 O ATOM 628 CB VAL A 40 -21.981 13.358 -0.551 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.155 12.333 -1.365 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.230 13.817 -1.338 1.00 0.00 C ATOM 0 H VAL A 40 -20.306 13.011 1.356 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.159 13.495 1.261 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.337 14.225 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.931 12.745 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.223 12.118 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.728 11.413 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.930 14.160 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.924 12.982 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.718 14.632 -0.803 1.00 0.00 H new ATOM 640 N PRO A 41 -24.247 11.156 1.118 1.00 0.00 N ATOM 641 CA PRO A 41 -24.834 9.794 1.220 1.00 0.00 C ATOM 642 C PRO A 41 -24.793 9.027 -0.131 1.00 0.00 C ATOM 643 O PRO A 41 -25.395 9.482 -1.109 1.00 0.00 O ATOM 644 CB PRO A 41 -26.289 10.066 1.692 1.00 0.00 C ATOM 645 CG PRO A 41 -26.596 11.441 1.186 1.00 0.00 C ATOM 646 CD PRO A 41 -25.292 12.208 1.286 1.00 0.00 C ATOM 0 HA PRO A 41 -24.279 9.150 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.982 9.330 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.370 10.015 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.955 11.410 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.376 11.914 1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.217 12.973 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.199 12.715 2.246 1.00 0.00 H new ATOM 654 N PRO A 42 -24.099 7.835 -0.191 1.00 0.00 N ATOM 655 CA PRO A 42 -23.861 7.087 -1.461 1.00 0.00 C ATOM 656 C PRO A 42 -25.152 6.588 -2.142 1.00 0.00 C ATOM 657 O PRO A 42 -25.132 6.248 -3.327 1.00 0.00 O ATOM 658 CB PRO A 42 -22.971 5.899 -1.012 1.00 0.00 C ATOM 659 CG PRO A 42 -23.262 5.726 0.448 1.00 0.00 C ATOM 660 CD PRO A 42 -23.495 7.120 0.970 1.00 0.00 C ATOM 0 HA PRO A 42 -23.403 7.724 -2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.209 4.994 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.915 6.111 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.137 5.095 0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.429 5.247 0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.163 7.119 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.564 7.589 1.289 1.00 0.00 H new ATOM 668 N GLU A 43 -26.257 6.546 -1.379 1.00 0.00 N ATOM 669 CA GLU A 43 -27.601 6.194 -1.894 1.00 0.00 C ATOM 670 C GLU A 43 -28.052 7.157 -3.017 1.00 0.00 C ATOM 671 O GLU A 43 -28.790 6.770 -3.933 1.00 0.00 O ATOM 672 CB GLU A 43 -28.620 6.210 -0.726 1.00 0.00 C ATOM 673 CG GLU A 43 -28.666 7.544 0.053 1.00 0.00 C ATOM 674 CD GLU A 43 -29.641 7.542 1.236 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.635 8.303 1.217 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.416 6.773 2.196 1.00 0.00 O ATOM 0 H GLU A 43 -26.248 6.756 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.553 5.194 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.613 5.998 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.375 5.405 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.666 7.773 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.945 8.344 -0.633 1.00 0.00 H new ATOM 683 N GLN A 44 -27.588 8.413 -2.925 1.00 0.00 N ATOM 684 CA GLN A 44 -27.914 9.479 -3.887 1.00 0.00 C ATOM 685 C GLN A 44 -26.781 9.681 -4.908 1.00 0.00 C ATOM 686 O GLN A 44 -26.788 10.675 -5.638 1.00 0.00 O ATOM 687 CB GLN A 44 -28.173 10.806 -3.124 1.00 0.00 C ATOM 688 CG GLN A 44 -29.330 10.749 -2.103 1.00 0.00 C ATOM 689 CD GLN A 44 -29.622 12.083 -1.399 1.00 0.00 C ATOM 690 OE1 GLN A 44 -30.768 12.372 -1.058 1.00 0.00 O ATOM 691 NE2 GLN A 44 -28.598 12.896 -1.162 1.00 0.00 N ATOM 0 H GLN A 44 -26.970 8.721 -2.174 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.810 9.182 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -27.260 11.093 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.386 11.591 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -30.233 10.417 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.096 9.998 -1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -27.658 12.631 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -28.752 13.785 -0.686 1.00 0.00 H new ATOM 700 N LEU A 45 -25.801 8.757 -4.943 1.00 0.00 N ATOM 701 CA LEU A 45 -24.646 8.822 -5.873 1.00 0.00 C ATOM 702 C LEU A 45 -24.466 7.509 -6.645 1.00 0.00 C ATOM 703 O LEU A 45 -24.997 6.458 -6.268 1.00 0.00 O ATOM 704 CB LEU A 45 -23.306 9.168 -5.133 1.00 0.00 C ATOM 705 CG LEU A 45 -23.106 10.649 -4.664 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.393 11.641 -5.808 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.936 10.975 -3.414 1.00 0.00 C ATOM 0 H LEU A 45 -25.784 7.943 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.874 9.624 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.228 8.523 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.479 8.909 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.058 10.759 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.246 12.660 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.714 11.445 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.423 11.520 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.766 12.012 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.994 10.827 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.638 10.317 -2.598 1.00 0.00 H new ATOM 719 N ARG A 46 -23.696 7.616 -7.736 1.00 0.00 N ATOM 720 CA ARG A 46 -23.255 6.497 -8.569 1.00 0.00 C ATOM 721 C ARG A 46 -21.731 6.600 -8.675 1.00 0.00 C ATOM 722 O ARG A 46 -21.218 7.661 -9.065 1.00 0.00 O ATOM 723 CB ARG A 46 -23.861 6.577 -10.004 1.00 0.00 C ATOM 724 CG ARG A 46 -25.376 6.819 -10.073 1.00 0.00 C ATOM 725 CD ARG A 46 -25.863 7.019 -11.512 1.00 0.00 C ATOM 726 NE ARG A 46 -27.286 7.384 -11.581 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.282 6.573 -11.971 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.068 5.291 -12.226 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.500 7.054 -12.097 1.00 0.00 N ATOM 0 H ARG A 46 -23.353 8.516 -8.072 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.580 5.557 -8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.358 7.377 -10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.636 5.647 -10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.899 5.972 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.630 7.697 -9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.268 7.798 -11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.699 6.102 -12.078 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.538 8.334 -11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.131 4.901 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.840 4.694 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.683 8.038 -11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.261 6.443 -12.393 1.00 0.00 H new ATOM 743 N VAL A 47 -21.016 5.529 -8.312 1.00 0.00 N ATOM 744 CA VAL A 47 -19.566 5.437 -8.541 1.00 0.00 C ATOM 745 C VAL A 47 -19.331 5.134 -10.030 1.00 0.00 C ATOM 746 O VAL A 47 -19.862 4.155 -10.549 1.00 0.00 O ATOM 747 CB VAL A 47 -18.911 4.329 -7.638 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.415 4.127 -7.963 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.097 4.671 -6.146 1.00 0.00 C ATOM 0 H VAL A 47 -21.418 4.710 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.096 6.383 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.420 3.390 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.003 3.353 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.307 3.825 -9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.878 5.061 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.638 3.894 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.624 5.629 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.161 4.732 -5.917 1.00 0.00 H new ATOM 759 N ILE A 48 -18.579 6.010 -10.711 1.00 0.00 N ATOM 760 CA ILE A 48 -18.339 5.925 -12.164 1.00 0.00 C ATOM 761 C ILE A 48 -16.825 5.795 -12.420 1.00 0.00 C ATOM 762 O ILE A 48 -16.036 6.515 -11.819 1.00 0.00 O ATOM 763 CB ILE A 48 -18.882 7.209 -12.915 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.358 7.544 -12.507 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.771 7.056 -14.450 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.395 6.487 -12.837 1.00 0.00 C ATOM 0 H ILE A 48 -18.116 6.804 -10.269 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.869 5.053 -12.547 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.251 8.042 -12.606 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.384 7.728 -11.433 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.647 8.474 -12.997 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.152 7.955 -14.934 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.727 6.910 -14.727 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.355 6.194 -14.773 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.378 6.827 -12.510 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.410 6.316 -13.913 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.143 5.558 -12.325 1.00 0.00 H new ATOM 778 N TYR A 49 -16.441 4.877 -13.313 1.00 0.00 N ATOM 779 CA TYR A 49 -15.048 4.693 -13.751 1.00 0.00 C ATOM 780 C TYR A 49 -14.987 4.760 -15.278 1.00 0.00 C ATOM 781 O TYR A 49 -15.631 3.951 -15.948 1.00 0.00 O ATOM 782 CB TYR A 49 -14.498 3.335 -13.251 1.00 0.00 C ATOM 783 CG TYR A 49 -13.152 2.909 -13.843 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.068 1.881 -14.794 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.967 3.530 -13.463 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.857 1.493 -15.319 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.758 3.138 -13.989 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.710 2.128 -14.920 1.00 0.00 C ATOM 789 OH TYR A 49 -9.506 1.744 -15.446 1.00 0.00 O ATOM 0 H TYR A 49 -17.094 4.232 -13.759 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.431 5.486 -13.328 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.400 3.380 -12.166 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.233 2.562 -13.473 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.970 1.385 -15.120 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.997 4.334 -12.742 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.810 0.692 -16.042 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.847 3.623 -13.671 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.126 1.023 -14.901 1.00 0.00 H new ATOM 799 N ASN A 50 -14.229 5.747 -15.805 1.00 0.00 N ATOM 800 CA ASN A 50 -13.903 5.875 -17.246 1.00 0.00 C ATOM 801 C ASN A 50 -15.174 6.184 -18.106 1.00 0.00 C ATOM 802 O ASN A 50 -15.136 6.127 -19.339 1.00 0.00 O ATOM 803 CB ASN A 50 -13.150 4.584 -17.721 1.00 0.00 C ATOM 804 CG ASN A 50 -12.374 4.744 -19.029 1.00 0.00 C ATOM 805 OD1 ASN A 50 -12.908 4.537 -20.115 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.097 5.092 -18.932 1.00 0.00 N ATOM 0 H ASN A 50 -13.820 6.488 -15.235 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.241 6.729 -17.389 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.457 4.275 -16.938 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.876 3.779 -17.840 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.531 5.194 -19.774 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.682 5.257 -18.015 1.00 0.00 H new ATOM 813 N GLY A 51 -16.286 6.573 -17.432 1.00 0.00 N ATOM 814 CA GLY A 51 -17.586 6.813 -18.094 1.00 0.00 C ATOM 815 C GLY A 51 -18.588 5.674 -17.900 1.00 0.00 C ATOM 816 O GLY A 51 -19.746 5.797 -18.294 1.00 0.00 O ATOM 0 H GLY A 51 -16.304 6.727 -16.424 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.017 7.736 -17.706 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.420 6.962 -19.161 1.00 0.00 H new ATOM 820 N ARG A 52 -18.131 4.573 -17.285 1.00 0.00 N ATOM 821 CA ARG A 52 -18.946 3.372 -16.996 1.00 0.00 C ATOM 822 C ARG A 52 -19.522 3.455 -15.579 1.00 0.00 C ATOM 823 O ARG A 52 -18.800 3.793 -14.643 1.00 0.00 O ATOM 824 CB ARG A 52 -18.064 2.101 -17.132 1.00 0.00 C ATOM 825 CG ARG A 52 -18.729 0.776 -16.680 1.00 0.00 C ATOM 826 CD ARG A 52 -17.832 -0.442 -16.934 1.00 0.00 C ATOM 827 NE ARG A 52 -18.520 -1.718 -16.669 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.986 -2.942 -16.860 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.737 -3.092 -17.287 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.705 -4.017 -16.598 1.00 0.00 N ATOM 0 H ARG A 52 -17.166 4.486 -16.966 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.770 3.320 -17.708 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.763 1.999 -18.175 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.154 2.247 -16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.966 0.835 -15.618 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.673 0.646 -17.210 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.489 -0.426 -17.969 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.946 -0.374 -16.303 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.475 -1.672 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.161 -2.272 -17.477 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.354 -4.027 -17.424 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.660 -3.920 -16.253 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.306 -4.945 -16.741 1.00 0.00 H new ATOM 844 N GLU A 53 -20.820 3.128 -15.424 1.00 0.00 N ATOM 845 CA GLU A 53 -21.461 3.085 -14.102 1.00 0.00 C ATOM 846 C GLU A 53 -21.092 1.769 -13.393 1.00 0.00 C ATOM 847 O GLU A 53 -21.311 0.674 -13.933 1.00 0.00 O ATOM 848 CB GLU A 53 -22.998 3.238 -14.198 1.00 0.00 C ATOM 849 CG GLU A 53 -23.696 3.463 -12.829 1.00 0.00 C ATOM 850 CD GLU A 53 -25.220 3.592 -12.929 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.948 2.915 -12.172 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.703 4.386 -13.764 1.00 0.00 O ATOM 0 H GLU A 53 -21.441 2.891 -16.198 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.092 3.929 -13.520 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.229 4.077 -14.855 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.414 2.345 -14.664 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.453 2.632 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.293 4.366 -12.370 1.00 0.00 H new ATOM 859 N LEU A 54 -20.501 1.898 -12.201 1.00 0.00 N ATOM 860 CA LEU A 54 -20.082 0.756 -11.379 1.00 0.00 C ATOM 861 C LEU A 54 -21.192 0.415 -10.382 1.00 0.00 C ATOM 862 O LEU A 54 -21.599 1.274 -9.582 1.00 0.00 O ATOM 863 CB LEU A 54 -18.761 1.052 -10.607 1.00 0.00 C ATOM 864 CG LEU A 54 -17.589 1.718 -11.409 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.273 1.644 -10.617 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.439 1.125 -12.832 1.00 0.00 C ATOM 0 H LEU A 54 -20.298 2.803 -11.776 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.897 -0.088 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.002 1.699 -9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.395 0.112 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.842 2.770 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.475 2.112 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.390 2.167 -9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.020 0.601 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.615 1.619 -13.347 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.235 0.057 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.362 1.282 -13.391 1.00 0.00 H new ATOM 878 N GLU A 55 -21.678 -0.827 -10.450 1.00 0.00 N ATOM 879 CA GLU A 55 -22.667 -1.352 -9.506 1.00 0.00 C ATOM 880 C GLU A 55 -21.966 -1.714 -8.183 1.00 0.00 C ATOM 881 O GLU A 55 -20.932 -2.390 -8.228 1.00 0.00 O ATOM 882 CB GLU A 55 -23.360 -2.596 -10.116 1.00 0.00 C ATOM 883 CG GLU A 55 -24.103 -2.308 -11.437 1.00 0.00 C ATOM 884 CD GLU A 55 -25.363 -1.444 -11.238 1.00 0.00 C ATOM 885 OE1 GLU A 55 -26.460 -2.014 -11.051 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.265 -0.197 -11.250 1.00 0.00 O ATOM 0 H GLU A 55 -21.396 -1.499 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.427 -0.596 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.611 -3.368 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.068 -2.998 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.427 -1.802 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.385 -3.252 -11.903 1.00 0.00 H new ATOM 893 N PRO A 56 -22.521 -1.279 -6.996 1.00 0.00 N ATOM 894 CA PRO A 56 -21.910 -1.518 -5.655 1.00 0.00 C ATOM 895 C PRO A 56 -21.616 -3.013 -5.378 1.00 0.00 C ATOM 896 O PRO A 56 -20.606 -3.355 -4.747 1.00 0.00 O ATOM 897 CB PRO A 56 -22.946 -0.918 -4.652 1.00 0.00 C ATOM 898 CG PRO A 56 -24.211 -0.746 -5.444 1.00 0.00 C ATOM 899 CD PRO A 56 -23.778 -0.495 -6.871 1.00 0.00 C ATOM 0 HA PRO A 56 -20.929 -1.050 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.101 -1.583 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.600 0.035 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.837 -1.636 -5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.800 0.088 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.532 -0.829 -7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.610 0.565 -7.059 1.00 0.00 H new ATOM 907 N ARG A 57 -22.483 -3.873 -5.931 1.00 0.00 N ATOM 908 CA ARG A 57 -22.482 -5.343 -5.710 1.00 0.00 C ATOM 909 C ARG A 57 -21.180 -6.006 -6.222 1.00 0.00 C ATOM 910 O ARG A 57 -20.694 -6.990 -5.644 1.00 0.00 O ATOM 911 CB ARG A 57 -23.709 -5.962 -6.442 1.00 0.00 C ATOM 912 CG ARG A 57 -25.023 -5.178 -6.239 1.00 0.00 C ATOM 913 CD ARG A 57 -26.204 -5.771 -7.014 1.00 0.00 C ATOM 914 NE ARG A 57 -27.382 -4.891 -6.944 1.00 0.00 N ATOM 915 CZ ARG A 57 -28.650 -5.268 -7.153 1.00 0.00 C ATOM 916 NH1 ARG A 57 -28.953 -6.528 -7.409 1.00 0.00 N ATOM 917 NH2 ARG A 57 -29.610 -4.366 -7.102 1.00 0.00 N ATOM 0 H ARG A 57 -23.225 -3.568 -6.560 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.541 -5.527 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.492 -6.018 -7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -23.850 -6.984 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -25.267 -5.158 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -24.874 -4.144 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.920 -5.921 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.454 -6.751 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 57 -27.219 -3.910 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -28.216 -7.232 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -29.924 -6.797 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -29.384 -3.391 -6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -30.579 -4.643 -7.260 1.00 0.00 H new ATOM 931 N THR A 58 -20.635 -5.433 -7.302 1.00 0.00 N ATOM 932 CA THR A 58 -19.464 -5.961 -8.028 1.00 0.00 C ATOM 933 C THR A 58 -18.146 -5.589 -7.307 1.00 0.00 C ATOM 934 O THR A 58 -18.131 -4.649 -6.512 1.00 0.00 O ATOM 935 CB THR A 58 -19.462 -5.359 -9.468 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.797 -5.360 -9.988 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.543 -6.127 -10.441 1.00 0.00 C ATOM 0 H THR A 58 -21.000 -4.571 -7.707 1.00 0.00 H new ATOM 0 HA THR A 58 -19.529 -7.048 -8.067 1.00 0.00 H new ATOM 0 HB THR A 58 -19.074 -4.344 -9.387 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.874 -4.684 -10.693 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.585 -5.661 -11.425 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.518 -6.102 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.876 -7.162 -10.516 1.00 0.00 H new ATOM 945 N THR A 59 -17.045 -6.325 -7.587 1.00 0.00 N ATOM 946 CA THR A 59 -15.707 -6.010 -7.043 1.00 0.00 C ATOM 947 C THR A 59 -14.922 -5.063 -7.980 1.00 0.00 C ATOM 948 O THR A 59 -15.264 -4.905 -9.162 1.00 0.00 O ATOM 949 CB THR A 59 -14.884 -7.312 -6.753 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.856 -8.146 -7.910 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.471 -8.099 -5.573 1.00 0.00 C ATOM 0 H THR A 59 -17.060 -7.147 -8.191 1.00 0.00 H new ATOM 0 HA THR A 59 -15.860 -5.492 -6.096 1.00 0.00 H new ATOM 0 HB THR A 59 -13.870 -7.008 -6.493 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.338 -8.955 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.875 -8.995 -5.401 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.458 -7.477 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.498 -8.385 -5.801 1.00 0.00 H new ATOM 959 N LEU A 60 -13.863 -4.444 -7.417 1.00 0.00 N ATOM 960 CA LEU A 60 -13.008 -3.436 -8.088 1.00 0.00 C ATOM 961 C LEU A 60 -12.243 -4.039 -9.275 1.00 0.00 C ATOM 962 O LEU A 60 -12.177 -3.447 -10.358 1.00 0.00 O ATOM 963 CB LEU A 60 -11.991 -2.842 -7.051 1.00 0.00 C ATOM 964 CG LEU A 60 -12.486 -1.666 -6.149 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.828 -1.967 -5.484 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.427 -1.309 -5.089 1.00 0.00 C ATOM 0 H LEU A 60 -13.570 -4.635 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.654 -2.648 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.664 -3.652 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.113 -2.499 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.637 -0.807 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.127 -1.119 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.583 -2.143 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.733 -2.854 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.792 -0.488 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.235 -2.178 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.504 -1.008 -5.584 1.00 0.00 H new ATOM 978 N GLU A 61 -11.672 -5.221 -9.032 1.00 0.00 N ATOM 979 CA GLU A 61 -10.843 -5.958 -10.003 1.00 0.00 C ATOM 980 C GLU A 61 -11.596 -6.291 -11.310 1.00 0.00 C ATOM 981 O GLU A 61 -10.968 -6.449 -12.366 1.00 0.00 O ATOM 982 CB GLU A 61 -10.309 -7.245 -9.344 1.00 0.00 C ATOM 983 CG GLU A 61 -11.405 -8.127 -8.715 1.00 0.00 C ATOM 984 CD GLU A 61 -10.852 -9.416 -8.103 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.015 -10.497 -8.707 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.234 -9.348 -7.018 1.00 0.00 O ATOM 0 H GLU A 61 -11.771 -5.706 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.014 -5.309 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.772 -7.828 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.588 -6.974 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.924 -7.558 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.143 -8.379 -9.476 1.00 0.00 H new ATOM 993 N GLU A 62 -12.936 -6.374 -11.226 1.00 0.00 N ATOM 994 CA GLU A 62 -13.802 -6.612 -12.394 1.00 0.00 C ATOM 995 C GLU A 62 -13.803 -5.390 -13.322 1.00 0.00 C ATOM 996 O GLU A 62 -13.813 -5.531 -14.551 1.00 0.00 O ATOM 997 CB GLU A 62 -15.248 -6.941 -11.942 1.00 0.00 C ATOM 998 CG GLU A 62 -15.361 -8.132 -10.970 1.00 0.00 C ATOM 999 CD GLU A 62 -14.734 -9.426 -11.508 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -13.596 -9.778 -11.114 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -15.374 -10.094 -12.348 1.00 0.00 O ATOM 0 H GLU A 62 -13.448 -6.278 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.406 -7.466 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.675 -6.059 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.852 -7.151 -12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.879 -7.869 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.413 -8.312 -10.750 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.783 -4.194 -12.714 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.750 -2.912 -13.446 1.00 0.00 C ATOM 1010 C TYR A 63 -12.303 -2.437 -13.689 1.00 0.00 C ATOM 1011 O TYR A 63 -12.109 -1.384 -14.298 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.548 -1.837 -12.666 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.031 -2.184 -12.465 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.590 -2.300 -11.198 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.877 -2.370 -13.561 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -17.926 -2.588 -11.028 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.216 -2.665 -13.387 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.738 -2.766 -12.123 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.081 -3.043 -11.950 1.00 0.00 O ATOM 0 H TYR A 63 -13.789 -4.085 -11.700 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.214 -3.067 -14.420 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.084 -1.691 -11.691 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.476 -0.888 -13.198 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.964 -2.161 -10.329 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.478 -2.282 -14.561 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.336 -2.674 -10.033 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.852 -2.816 -14.247 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.511 -3.139 -12.826 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.308 -3.227 -13.211 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.866 -2.901 -13.305 1.00 0.00 C ATOM 1031 C ASN A 64 -9.581 -1.545 -12.627 1.00 0.00 C ATOM 1032 O ASN A 64 -8.940 -0.640 -13.189 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.362 -2.969 -14.782 1.00 0.00 C ATOM 1034 CG ASN A 64 -7.827 -2.912 -14.923 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.237 -1.850 -15.148 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.173 -4.052 -14.769 1.00 0.00 N ATOM 0 H ASN A 64 -11.489 -4.116 -12.745 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.295 -3.655 -12.763 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.725 -3.891 -15.237 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.799 -2.143 -15.343 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.155 -4.069 -14.835 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.687 -4.914 -14.584 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.107 -1.417 -11.400 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.844 -0.272 -10.528 1.00 0.00 C ATOM 1045 C ILE A 65 -8.402 -0.400 -10.001 1.00 0.00 C ATOM 1046 O ILE A 65 -8.141 -1.087 -9.007 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.891 -0.195 -9.351 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.353 -0.130 -9.904 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.612 0.989 -8.397 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.653 1.073 -10.779 1.00 0.00 C ATOM 0 H ILE A 65 -10.730 -2.111 -10.986 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.949 0.657 -11.088 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.782 -1.110 -8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.549 -1.036 -10.477 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.045 -0.130 -9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.359 1.000 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.620 0.878 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.661 1.925 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.689 1.030 -11.114 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.494 1.987 -10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -11.991 1.067 -11.645 1.00 0.00 H new ATOM 1062 N THR A 66 -7.477 0.174 -10.776 1.00 0.00 N ATOM 1063 CA THR A 66 -6.026 0.148 -10.521 1.00 0.00 C ATOM 1064 C THR A 66 -5.533 1.556 -10.091 1.00 0.00 C ATOM 1065 O THR A 66 -6.242 2.532 -10.324 1.00 0.00 O ATOM 1066 CB THR A 66 -5.297 -0.373 -11.814 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.892 0.215 -12.981 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.349 -1.907 -11.922 1.00 0.00 C ATOM 0 H THR A 66 -7.720 0.686 -11.624 1.00 0.00 H new ATOM 0 HA THR A 66 -5.793 -0.530 -9.700 1.00 0.00 H new ATOM 0 HB THR A 66 -4.250 -0.079 -11.744 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.244 -0.493 -13.561 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.834 -2.226 -12.829 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.861 -2.350 -11.053 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.388 -2.234 -11.961 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.313 1.696 -9.449 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.885 2.979 -8.830 1.00 0.00 C ATOM 1078 C PRO A 67 -3.654 4.108 -9.862 1.00 0.00 C ATOM 1079 O PRO A 67 -3.164 3.861 -10.969 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.568 2.611 -8.094 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.032 1.434 -8.853 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.250 0.655 -9.308 1.00 0.00 C ATOM 0 HA PRO A 67 -4.654 3.380 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.863 3.443 -8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.753 2.359 -7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.432 1.756 -9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.388 0.821 -8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.066 0.142 -10.252 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.531 -0.107 -8.581 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.030 5.342 -9.481 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.820 6.525 -10.311 1.00 0.00 C ATOM 1092 C GLY A 68 -5.067 6.956 -11.064 1.00 0.00 C ATOM 1093 O GLY A 68 -5.123 8.090 -11.550 1.00 0.00 O ATOM 0 H GLY A 68 -4.486 5.539 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.481 7.347 -9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.023 6.322 -11.026 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.073 6.061 -11.167 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.328 6.357 -11.888 1.00 0.00 C ATOM 1099 C VAL A 69 -8.213 7.319 -11.075 1.00 0.00 C ATOM 1100 O VAL A 69 -8.095 7.403 -9.838 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.136 5.053 -12.239 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.289 4.075 -13.088 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.709 4.356 -10.977 1.00 0.00 C ATOM 0 H VAL A 69 -6.039 5.127 -10.759 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.046 6.835 -12.826 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.989 5.365 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.877 3.185 -13.313 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.996 4.561 -14.019 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.396 3.789 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.258 3.462 -11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.891 4.077 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.381 5.039 -10.458 1.00 0.00 H new ATOM 1113 N THR A 70 -9.097 8.042 -11.778 1.00 0.00 N ATOM 1114 CA THR A 70 -9.990 9.025 -11.162 1.00 0.00 C ATOM 1115 C THR A 70 -11.455 8.640 -11.422 1.00 0.00 C ATOM 1116 O THR A 70 -11.988 8.890 -12.510 1.00 0.00 O ATOM 1117 CB THR A 70 -9.715 10.466 -11.703 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.301 10.701 -11.746 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.390 11.547 -10.826 1.00 0.00 C ATOM 0 H THR A 70 -9.210 7.959 -12.788 1.00 0.00 H new ATOM 0 HA THR A 70 -9.798 9.025 -10.089 1.00 0.00 H new ATOM 0 HB THR A 70 -10.139 10.533 -12.705 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.130 11.604 -12.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.175 12.534 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.468 11.386 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.003 11.484 -9.809 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.063 7.978 -10.430 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.516 7.735 -10.371 1.00 0.00 C ATOM 1129 C LEU A 71 -14.271 9.060 -10.189 1.00 0.00 C ATOM 1130 O LEU A 71 -13.671 10.092 -9.865 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.866 6.755 -9.205 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.661 5.223 -9.469 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.285 4.888 -10.067 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.883 4.427 -8.170 1.00 0.00 C ATOM 0 H LEU A 71 -11.557 7.590 -9.634 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.824 7.278 -11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.264 7.032 -8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.909 6.914 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.402 4.934 -10.214 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.209 3.812 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.167 5.404 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.502 5.210 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.738 3.364 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.170 4.758 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.898 4.595 -7.810 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.591 9.018 -10.396 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.475 10.183 -10.253 1.00 0.00 C ATOM 1148 C GLU A 72 -17.785 9.783 -9.573 1.00 0.00 C ATOM 1149 O GLU A 72 -18.124 8.598 -9.486 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.760 10.848 -11.627 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.552 11.574 -12.255 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.863 12.239 -13.601 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.435 11.720 -14.654 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.542 13.285 -13.616 1.00 0.00 O ATOM 0 H GLU A 72 -16.082 8.167 -10.670 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.963 10.913 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.107 10.082 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.574 11.563 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.194 12.333 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.741 10.859 -12.392 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.506 10.798 -9.080 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.830 10.648 -8.471 1.00 0.00 C ATOM 1163 C LEU A 73 -20.844 11.461 -9.256 1.00 0.00 C ATOM 1164 O LEU A 73 -20.713 12.683 -9.376 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.819 11.097 -6.987 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.036 10.172 -6.014 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.070 10.722 -4.569 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.579 8.717 -6.083 1.00 0.00 C ATOM 0 H LEU A 73 -18.178 11.764 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.106 9.594 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.392 12.098 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.850 11.171 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.993 10.154 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.514 10.053 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.617 11.713 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.104 10.788 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.017 8.086 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.633 8.708 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.468 8.335 -7.098 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.811 10.763 -9.847 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.982 11.374 -10.494 1.00 0.00 C ATOM 1182 C LYS A 74 -24.214 10.996 -9.672 1.00 0.00 C ATOM 1183 O LYS A 74 -24.287 9.879 -9.172 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.130 10.893 -11.968 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.147 11.548 -12.986 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.665 11.168 -12.749 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.696 11.759 -13.777 1.00 0.00 C ATOM 1188 NZ LYS A 74 -19.564 13.226 -13.662 1.00 0.00 N ATOM 0 H LYS A 74 -21.808 9.744 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.865 12.457 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.989 9.813 -11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.151 11.090 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.432 11.252 -13.996 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.249 12.632 -12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.370 11.502 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.573 10.082 -12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.716 11.300 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.040 11.507 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.012 13.680 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.031 13.549 -12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.557 13.483 -13.631 1.00 0.00 H new ATOM 1202 N THR A 75 -25.166 11.925 -9.530 1.00 0.00 N ATOM 1203 CA THR A 75 -26.368 11.721 -8.702 1.00 0.00 C ATOM 1204 C THR A 75 -27.226 10.526 -9.202 1.00 0.00 C ATOM 1205 O THR A 75 -27.403 10.342 -10.405 1.00 0.00 O ATOM 1206 CB THR A 75 -27.230 13.025 -8.644 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.491 13.500 -9.973 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.534 14.133 -7.839 1.00 0.00 C ATOM 0 H THR A 75 -25.129 12.838 -9.983 1.00 0.00 H new ATOM 0 HA THR A 75 -26.026 11.480 -7.696 1.00 0.00 H new ATOM 0 HB THR A 75 -28.166 12.776 -8.144 1.00 0.00 H new ATOM 0 HG1 THR A 75 -28.033 14.316 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.165 15.022 -7.822 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.364 13.789 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.578 14.375 -8.304 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.702 9.712 -8.252 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.559 8.541 -8.515 1.00 0.00 C ATOM 1218 C ARG A 76 -30.022 8.935 -8.264 1.00 0.00 C ATOM 1219 O ARG A 76 -30.301 9.679 -7.311 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.110 7.350 -7.600 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.776 5.967 -7.887 1.00 0.00 C ATOM 1222 CD ARG A 76 -30.048 5.700 -7.053 1.00 0.00 C ATOM 1223 NE ARG A 76 -30.799 4.543 -7.580 1.00 0.00 N ATOM 1224 CZ ARG A 76 -31.823 3.924 -6.973 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -32.177 4.231 -5.737 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -32.479 2.969 -7.614 1.00 0.00 N ATOM 0 H ARG A 76 -27.501 9.848 -7.261 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.464 8.215 -9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.030 7.235 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.314 7.619 -6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.029 5.909 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.051 5.178 -7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -29.773 5.516 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -30.684 6.585 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 76 -30.513 4.181 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -31.668 4.952 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -32.959 3.747 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -32.205 2.709 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -33.259 2.493 -7.160 1.00 0.00 H new