USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 714 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 MET CE :methyl -164:sc= -0.918 (180deg=-1.56) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0768 (180deg=-0.358) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00723 X(o=-0.0072,f=0) USER MOD Single : A 9 ASN : amide:sc= -1.03 X(o=-1,f=-0.87) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0.582 (180deg=0.578) USER MOD Single : A 15 LYS NZ :NH3+ -92:sc= 0.317 (180deg=0.248) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -175:sc= -1.62 (180deg=-1.81) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.035) USER MOD Single : A 34 GLN : amide:sc= -0.614 K(o=-0.61,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 37 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.751 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0222) USER MOD Single : A 53 GLN : amide:sc= 0.495 K(o=0.49,f=-4.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.77) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=-0.077) USER MOD Single : A 76 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-1.4) USER MOD Single : A 82 ASN : amide:sc= -0.573 K(o=-0.57,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= -0.0986 (180deg=-0.467) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.696 -1.726 -5.358 1.00 0.00 N ATOM 2 CA MET A 1 2.824 -0.574 -6.269 1.00 0.00 C ATOM 3 C MET A 1 3.700 0.501 -5.601 1.00 0.00 C ATOM 4 O MET A 1 4.830 0.742 -6.047 1.00 0.00 O ATOM 5 CB MET A 1 1.420 -0.021 -6.645 1.00 0.00 C ATOM 6 CG MET A 1 1.415 1.133 -7.664 1.00 0.00 C ATOM 7 SD MET A 1 -0.241 1.808 -7.957 1.00 0.00 S ATOM 8 CE MET A 1 -1.145 0.376 -8.559 1.00 0.00 C ATOM 0 H1 MET A 1 2.105 -2.457 -5.803 1.00 0.00 H new ATOM 0 H2 MET A 1 3.639 -2.117 -5.159 1.00 0.00 H new ATOM 0 H3 MET A 1 2.254 -1.418 -4.469 1.00 0.00 H new ATOM 0 HA MET A 1 3.305 -0.886 -7.196 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.821 -0.839 -7.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.927 0.319 -5.734 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.068 1.929 -7.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.830 0.779 -8.608 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.085 0.700 -9.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.548 -0.143 -9.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.351 -0.299 -7.729 1.00 0.00 H new ATOM 18 N SER A 2 3.161 1.114 -4.511 1.00 0.00 N ATOM 19 CA SER A 2 3.813 2.192 -3.730 1.00 0.00 C ATOM 20 C SER A 2 3.980 3.497 -4.555 1.00 0.00 C ATOM 21 O SER A 2 3.746 3.530 -5.771 1.00 0.00 O ATOM 22 CB SER A 2 5.163 1.715 -3.137 1.00 0.00 C ATOM 23 OG SER A 2 4.985 0.562 -2.327 1.00 0.00 O ATOM 0 H SER A 2 2.242 0.864 -4.147 1.00 0.00 H new ATOM 0 HA SER A 2 3.150 2.432 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.860 1.492 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.607 2.515 -2.544 1.00 0.00 H new ATOM 0 HG SER A 2 5.851 0.279 -1.966 1.00 0.00 H new ATOM 29 N LYS A 3 4.356 4.588 -3.859 1.00 0.00 N ATOM 30 CA LYS A 3 4.565 5.924 -4.470 1.00 0.00 C ATOM 31 C LYS A 3 5.990 6.428 -4.149 1.00 0.00 C ATOM 32 O LYS A 3 6.228 7.638 -4.030 1.00 0.00 O ATOM 33 CB LYS A 3 3.481 6.913 -3.946 1.00 0.00 C ATOM 34 CG LYS A 3 2.033 6.459 -4.228 1.00 0.00 C ATOM 35 CD LYS A 3 0.981 7.468 -3.731 1.00 0.00 C ATOM 36 CE LYS A 3 -0.455 6.927 -3.852 1.00 0.00 C ATOM 37 NZ LYS A 3 -0.861 6.672 -5.262 1.00 0.00 N ATOM 0 H LYS A 3 4.525 4.572 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 3 4.468 5.855 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.609 7.041 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.641 7.889 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.907 6.309 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.860 5.495 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.185 7.719 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.068 8.391 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.539 6.002 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.146 7.641 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.836 6.309 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.810 7.558 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.221 5.970 -5.686 1.00 0.00 H new ATOM 51 N THR A 4 6.935 5.469 -4.062 1.00 0.00 N ATOM 52 CA THR A 4 8.332 5.705 -3.629 1.00 0.00 C ATOM 53 C THR A 4 9.136 6.588 -4.628 1.00 0.00 C ATOM 54 O THR A 4 10.163 7.177 -4.251 1.00 0.00 O ATOM 55 CB THR A 4 9.057 4.330 -3.417 1.00 0.00 C ATOM 56 OG1 THR A 4 8.221 3.467 -2.622 1.00 0.00 O ATOM 57 CG2 THR A 4 10.428 4.482 -2.720 1.00 0.00 C ATOM 0 H THR A 4 6.748 4.493 -4.294 1.00 0.00 H new ATOM 0 HA THR A 4 8.290 6.256 -2.690 1.00 0.00 H new ATOM 0 HB THR A 4 9.234 3.903 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.671 2.607 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.885 3.500 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.077 5.112 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.290 4.941 -1.741 1.00 0.00 H new ATOM 65 N ALA A 5 8.645 6.683 -5.886 1.00 0.00 N ATOM 66 CA ALA A 5 9.277 7.492 -6.954 1.00 0.00 C ATOM 67 C ALA A 5 9.460 8.964 -6.507 1.00 0.00 C ATOM 68 O ALA A 5 8.589 9.520 -5.827 1.00 0.00 O ATOM 69 CB ALA A 5 8.433 7.410 -8.240 1.00 0.00 C ATOM 0 H ALA A 5 7.799 6.200 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 5 10.268 7.086 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.902 8.007 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.367 6.372 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.432 7.793 -8.043 1.00 0.00 H new ATOM 75 N LYS A 6 10.600 9.571 -6.891 1.00 0.00 N ATOM 76 CA LYS A 6 10.985 10.933 -6.449 1.00 0.00 C ATOM 77 C LYS A 6 10.100 12.024 -7.089 1.00 0.00 C ATOM 78 O LYS A 6 9.620 11.876 -8.217 1.00 0.00 O ATOM 79 CB LYS A 6 12.501 11.235 -6.733 1.00 0.00 C ATOM 80 CG LYS A 6 12.936 11.335 -8.232 1.00 0.00 C ATOM 81 CD LYS A 6 13.080 9.965 -8.949 1.00 0.00 C ATOM 82 CE LYS A 6 14.167 9.070 -8.313 1.00 0.00 C ATOM 83 NZ LYS A 6 14.282 7.748 -8.974 1.00 0.00 N ATOM 0 H LYS A 6 11.280 9.136 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 6 10.826 10.957 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.757 12.174 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.097 10.455 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.205 11.939 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.888 11.863 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.124 9.443 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.322 10.133 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.128 9.582 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.939 8.925 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.025 7.190 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.375 7.244 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.527 7.881 -9.976 1.00 0.00 H new ATOM 97 N LEU A 7 9.892 13.101 -6.319 1.00 0.00 N ATOM 98 CA LEU A 7 9.135 14.295 -6.720 1.00 0.00 C ATOM 99 C LEU A 7 9.868 15.502 -6.103 1.00 0.00 C ATOM 100 O LEU A 7 9.884 15.664 -4.876 1.00 0.00 O ATOM 101 CB LEU A 7 7.647 14.163 -6.232 1.00 0.00 C ATOM 102 CG LEU A 7 6.585 15.199 -6.768 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.144 14.678 -6.532 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.738 16.610 -6.136 1.00 0.00 C ATOM 0 H LEU A 7 10.258 13.167 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 7 9.087 14.420 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.299 13.164 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.648 14.223 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 7 6.773 15.300 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.427 15.407 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.009 13.732 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.982 14.528 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.979 17.276 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.615 16.540 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.728 17.005 -6.363 1.00 0.00 H new ATOM 116 N ASN A 8 10.503 16.320 -6.958 1.00 0.00 N ATOM 117 CA ASN A 8 11.355 17.450 -6.530 1.00 0.00 C ATOM 118 C ASN A 8 10.751 18.774 -7.021 1.00 0.00 C ATOM 119 O ASN A 8 10.139 19.510 -6.238 1.00 0.00 O ATOM 120 CB ASN A 8 12.808 17.270 -7.060 1.00 0.00 C ATOM 121 CG ASN A 8 13.483 16.005 -6.523 1.00 0.00 C ATOM 122 OD1 ASN A 8 14.156 16.035 -5.497 1.00 0.00 O ATOM 123 ND2 ASN A 8 13.277 14.878 -7.191 1.00 0.00 N ATOM 0 H ASN A 8 10.442 16.219 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 8 11.397 17.470 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.791 17.233 -8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.402 18.140 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.683 14.005 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.713 14.885 -8.041 1.00 0.00 H new ATOM 130 N ASN A 9 10.904 19.055 -8.333 1.00 0.00 N ATOM 131 CA ASN A 9 10.417 20.300 -8.952 1.00 0.00 C ATOM 132 C ASN A 9 8.910 20.184 -9.232 1.00 0.00 C ATOM 133 O ASN A 9 8.491 19.822 -10.343 1.00 0.00 O ATOM 134 CB ASN A 9 11.228 20.624 -10.239 1.00 0.00 C ATOM 135 CG ASN A 9 10.940 22.013 -10.832 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.437 22.910 -10.162 1.00 0.00 O ATOM 137 ND2 ASN A 9 11.329 22.218 -12.080 1.00 0.00 N ATOM 0 H ASN A 9 11.367 18.425 -8.988 1.00 0.00 H new ATOM 0 HA ASN A 9 10.567 21.132 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.292 20.551 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.010 19.867 -10.993 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.213 23.138 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.744 21.456 -12.616 1.00 0.00 H new ATOM 144 N GLU A 10 8.124 20.478 -8.175 1.00 0.00 N ATOM 145 CA GLU A 10 6.653 20.368 -8.141 1.00 0.00 C ATOM 146 C GLU A 10 5.993 21.086 -9.332 1.00 0.00 C ATOM 147 O GLU A 10 5.048 20.558 -9.916 1.00 0.00 O ATOM 148 CB GLU A 10 6.131 20.966 -6.803 1.00 0.00 C ATOM 149 CG GLU A 10 4.595 21.017 -6.668 1.00 0.00 C ATOM 150 CD GLU A 10 4.120 21.599 -5.333 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.117 22.839 -5.172 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.768 20.818 -4.427 1.00 0.00 O ATOM 0 H GLU A 10 8.511 20.810 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 10 6.388 19.313 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.534 20.379 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.524 21.977 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.186 21.615 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.194 20.009 -6.780 1.00 0.00 H new ATOM 159 N GLU A 11 6.545 22.273 -9.672 1.00 0.00 N ATOM 160 CA GLU A 11 6.046 23.162 -10.742 1.00 0.00 C ATOM 161 C GLU A 11 5.760 22.408 -12.052 1.00 0.00 C ATOM 162 O GLU A 11 4.694 22.578 -12.626 1.00 0.00 O ATOM 163 CB GLU A 11 7.055 24.328 -10.986 1.00 0.00 C ATOM 164 CG GLU A 11 6.937 25.499 -9.990 1.00 0.00 C ATOM 165 CD GLU A 11 5.615 26.278 -10.150 1.00 0.00 C ATOM 166 OE1 GLU A 11 5.498 27.055 -11.125 1.00 0.00 O ATOM 167 OE2 GLU A 11 4.685 26.105 -9.326 1.00 0.00 O ATOM 0 H GLU A 11 7.368 22.646 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 11 5.095 23.573 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.068 23.929 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.909 24.711 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.008 25.115 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.776 26.180 -10.133 1.00 0.00 H new ATOM 174 N LYS A 12 6.697 21.549 -12.486 1.00 0.00 N ATOM 175 CA LYS A 12 6.575 20.822 -13.774 1.00 0.00 C ATOM 176 C LYS A 12 5.388 19.851 -13.747 1.00 0.00 C ATOM 177 O LYS A 12 4.660 19.710 -14.739 1.00 0.00 O ATOM 178 CB LYS A 12 7.880 20.062 -14.103 1.00 0.00 C ATOM 179 CG LYS A 12 9.129 20.962 -14.117 1.00 0.00 C ATOM 180 CD LYS A 12 10.392 20.246 -14.635 1.00 0.00 C ATOM 181 CE LYS A 12 10.321 19.899 -16.136 1.00 0.00 C ATOM 182 NZ LYS A 12 11.549 19.202 -16.592 1.00 0.00 N ATOM 0 H LYS A 12 7.550 21.337 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 12 6.398 21.560 -14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.023 19.268 -13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.776 19.583 -15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.933 21.834 -14.741 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.316 21.328 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.260 20.880 -14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.543 19.330 -14.064 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.452 19.268 -16.324 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.183 20.812 -16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.497 19.044 -17.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.381 19.786 -16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.630 18.287 -16.104 1.00 0.00 H new ATOM 196 N LEU A 13 5.196 19.210 -12.582 1.00 0.00 N ATOM 197 CA LEU A 13 4.087 18.268 -12.355 1.00 0.00 C ATOM 198 C LEU A 13 2.740 19.009 -12.303 1.00 0.00 C ATOM 199 O LEU A 13 1.732 18.497 -12.794 1.00 0.00 O ATOM 200 CB LEU A 13 4.294 17.440 -11.064 1.00 0.00 C ATOM 201 CG LEU A 13 5.518 16.459 -11.076 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.833 17.138 -10.644 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.237 15.194 -10.249 1.00 0.00 C ATOM 0 H LEU A 13 5.804 19.330 -11.772 1.00 0.00 H new ATOM 0 HA LEU A 13 4.074 17.576 -13.197 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.412 18.129 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.390 16.861 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 13 5.656 16.154 -12.113 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.644 16.411 -10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.059 17.959 -11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.727 17.525 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.107 14.538 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.030 15.473 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.374 14.672 -10.664 1.00 0.00 H new ATOM 215 N VAL A 14 2.744 20.211 -11.709 1.00 0.00 N ATOM 216 CA VAL A 14 1.557 21.085 -11.653 1.00 0.00 C ATOM 217 C VAL A 14 1.130 21.467 -13.077 1.00 0.00 C ATOM 218 O VAL A 14 -0.033 21.321 -13.429 1.00 0.00 O ATOM 219 CB VAL A 14 1.830 22.378 -10.800 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.621 23.353 -10.806 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.223 21.992 -9.359 1.00 0.00 C ATOM 0 H VAL A 14 3.567 20.607 -11.254 1.00 0.00 H new ATOM 0 HA VAL A 14 0.752 20.535 -11.166 1.00 0.00 H new ATOM 0 HB VAL A 14 2.662 22.908 -11.263 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.858 24.230 -10.204 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.408 23.662 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.253 22.852 -10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.409 22.895 -8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.412 21.426 -8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.125 21.381 -9.379 1.00 0.00 H new ATOM 231 N LYS A 15 2.117 21.891 -13.892 1.00 0.00 N ATOM 232 CA LYS A 15 1.902 22.319 -15.293 1.00 0.00 C ATOM 233 C LYS A 15 1.417 21.146 -16.156 1.00 0.00 C ATOM 234 O LYS A 15 0.599 21.335 -17.050 1.00 0.00 O ATOM 235 CB LYS A 15 3.201 22.931 -15.883 1.00 0.00 C ATOM 236 CG LYS A 15 3.726 24.140 -15.085 1.00 0.00 C ATOM 237 CD LYS A 15 5.073 24.696 -15.610 1.00 0.00 C ATOM 238 CE LYS A 15 5.811 25.543 -14.557 1.00 0.00 C ATOM 239 NZ LYS A 15 4.937 26.574 -13.930 1.00 0.00 N ATOM 0 H LYS A 15 3.092 21.947 -13.597 1.00 0.00 H new ATOM 0 HA LYS A 15 1.127 23.086 -15.298 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.974 22.163 -15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.014 23.238 -16.912 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.980 24.934 -15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.845 23.851 -14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.710 23.866 -15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.891 25.303 -16.497 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.205 24.887 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.665 26.033 -15.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.016 27.465 -14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.949 26.248 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.234 26.729 -12.946 1.00 0.00 H new ATOM 253 N LYS A 16 1.919 19.934 -15.850 1.00 0.00 N ATOM 254 CA LYS A 16 1.507 18.688 -16.531 1.00 0.00 C ATOM 255 C LYS A 16 0.072 18.318 -16.138 1.00 0.00 C ATOM 256 O LYS A 16 -0.675 17.778 -16.942 1.00 0.00 O ATOM 257 CB LYS A 16 2.459 17.527 -16.165 1.00 0.00 C ATOM 258 CG LYS A 16 2.223 16.196 -16.930 1.00 0.00 C ATOM 259 CD LYS A 16 2.567 16.283 -18.431 1.00 0.00 C ATOM 260 CE LYS A 16 2.335 14.951 -19.171 1.00 0.00 C ATOM 261 NZ LYS A 16 2.872 14.990 -20.554 1.00 0.00 N ATOM 0 H LYS A 16 2.621 19.790 -15.124 1.00 0.00 H new ATOM 0 HA LYS A 16 1.554 18.857 -17.607 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.484 17.851 -16.345 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.370 17.331 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.824 15.411 -16.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.179 15.903 -16.820 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.961 17.062 -18.894 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.609 16.580 -18.544 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.811 14.140 -18.619 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.268 14.733 -19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.697 14.077 -21.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.400 15.747 -21.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.895 15.173 -20.524 1.00 0.00 H new ATOM 275 N ALA A 17 -0.293 18.616 -14.884 1.00 0.00 N ATOM 276 CA ALA A 17 -1.654 18.401 -14.372 1.00 0.00 C ATOM 277 C ALA A 17 -2.611 19.446 -14.964 1.00 0.00 C ATOM 278 O ALA A 17 -3.799 19.183 -15.101 1.00 0.00 O ATOM 279 CB ALA A 17 -1.665 18.447 -12.840 1.00 0.00 C ATOM 0 H ALA A 17 0.346 19.013 -14.196 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.995 17.412 -14.679 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.681 18.286 -12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.012 17.667 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.310 19.421 -12.503 1.00 0.00 H new ATOM 285 N LEU A 18 -2.068 20.633 -15.319 1.00 0.00 N ATOM 286 CA LEU A 18 -2.827 21.672 -16.039 1.00 0.00 C ATOM 287 C LEU A 18 -3.103 21.204 -17.473 1.00 0.00 C ATOM 288 O LEU A 18 -4.193 21.426 -18.003 1.00 0.00 O ATOM 289 CB LEU A 18 -2.081 23.035 -16.072 1.00 0.00 C ATOM 290 CG LEU A 18 -1.676 23.649 -14.700 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.021 25.037 -14.863 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.862 23.689 -13.722 1.00 0.00 C ATOM 0 H LEU A 18 -1.103 20.892 -15.116 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.763 21.825 -15.501 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.177 22.913 -16.669 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.712 23.755 -16.593 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.924 22.991 -14.265 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.753 25.430 -13.882 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.123 24.946 -15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.723 25.716 -15.347 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.539 24.124 -12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.663 24.295 -14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.226 22.676 -13.550 1.00 0.00 H new ATOM 304 N GLU A 19 -2.089 20.547 -18.081 1.00 0.00 N ATOM 305 CA GLU A 19 -2.190 19.974 -19.433 1.00 0.00 C ATOM 306 C GLU A 19 -3.249 18.860 -19.473 1.00 0.00 C ATOM 307 O GLU A 19 -4.266 19.002 -20.145 1.00 0.00 O ATOM 308 CB GLU A 19 -0.803 19.440 -19.917 1.00 0.00 C ATOM 309 CG GLU A 19 0.288 20.517 -20.107 1.00 0.00 C ATOM 310 CD GLU A 19 -0.113 21.618 -21.106 1.00 0.00 C ATOM 311 OE1 GLU A 19 -0.097 21.354 -22.327 1.00 0.00 O ATOM 312 OE2 GLU A 19 -0.468 22.742 -20.680 1.00 0.00 O ATOM 0 H GLU A 19 -1.179 20.402 -17.644 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.502 20.765 -20.114 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.443 18.705 -19.197 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.943 18.917 -20.863 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.510 20.974 -19.143 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.205 20.039 -20.452 1.00 0.00 H new ATOM 319 N ILE A 20 -3.023 17.795 -18.686 1.00 0.00 N ATOM 320 CA ILE A 20 -3.868 16.590 -18.672 1.00 0.00 C ATOM 321 C ILE A 20 -5.250 16.901 -18.083 1.00 0.00 C ATOM 322 O ILE A 20 -6.254 16.612 -18.711 1.00 0.00 O ATOM 323 CB ILE A 20 -3.184 15.404 -17.884 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.745 15.114 -18.435 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.055 14.119 -17.919 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.673 14.802 -19.926 1.00 0.00 C ATOM 0 H ILE A 20 -2.240 17.746 -18.035 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.994 16.269 -19.706 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.093 15.716 -16.844 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.113 15.978 -18.230 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.324 14.273 -17.883 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.553 13.324 -17.367 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.023 14.323 -17.462 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.201 13.806 -18.953 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.637 14.616 -20.209 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.272 13.918 -20.142 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.058 15.649 -20.494 1.00 0.00 H new ATOM 338 N GLY A 21 -5.275 17.529 -16.899 1.00 0.00 N ATOM 339 CA GLY A 21 -6.529 17.897 -16.227 1.00 0.00 C ATOM 340 C GLY A 21 -7.356 18.902 -17.028 1.00 0.00 C ATOM 341 O GLY A 21 -8.589 18.817 -17.045 1.00 0.00 O ATOM 0 H GLY A 21 -4.435 17.794 -16.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.122 16.999 -16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.301 18.319 -15.248 1.00 0.00 H new ATOM 345 N GLY A 22 -6.660 19.829 -17.719 1.00 0.00 N ATOM 346 CA GLY A 22 -7.308 20.831 -18.568 1.00 0.00 C ATOM 347 C GLY A 22 -7.985 20.221 -19.793 1.00 0.00 C ATOM 348 O GLY A 22 -9.177 20.456 -20.032 1.00 0.00 O ATOM 0 H GLY A 22 -5.643 19.898 -17.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.050 21.373 -17.981 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.565 21.559 -18.894 1.00 0.00 H new ATOM 352 N LYS A 23 -7.227 19.391 -20.546 1.00 0.00 N ATOM 353 CA LYS A 23 -7.723 18.765 -21.795 1.00 0.00 C ATOM 354 C LYS A 23 -8.782 17.688 -21.496 1.00 0.00 C ATOM 355 O LYS A 23 -9.719 17.516 -22.274 1.00 0.00 O ATOM 356 CB LYS A 23 -6.549 18.204 -22.666 1.00 0.00 C ATOM 357 CG LYS A 23 -5.690 17.066 -22.038 1.00 0.00 C ATOM 358 CD LYS A 23 -6.156 15.638 -22.396 1.00 0.00 C ATOM 359 CE LYS A 23 -5.303 14.553 -21.718 1.00 0.00 C ATOM 360 NZ LYS A 23 -5.643 13.197 -22.201 1.00 0.00 N ATOM 0 H LYS A 23 -6.267 19.138 -20.310 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.209 19.543 -22.383 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.967 17.836 -23.603 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.886 19.032 -22.916 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.656 17.188 -22.361 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.701 17.177 -20.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.198 15.514 -22.100 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.114 15.506 -23.477 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.248 14.751 -21.907 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.448 14.600 -20.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.045 12.496 -21.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.643 12.997 -21.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.480 13.143 -23.227 1.00 0.00 H new ATOM 374 N MET A 24 -8.634 16.985 -20.349 1.00 0.00 N ATOM 375 CA MET A 24 -9.623 15.983 -19.902 1.00 0.00 C ATOM 376 C MET A 24 -10.948 16.665 -19.587 1.00 0.00 C ATOM 377 O MET A 24 -11.966 16.241 -20.094 1.00 0.00 O ATOM 378 CB MET A 24 -9.156 15.170 -18.669 1.00 0.00 C ATOM 379 CG MET A 24 -8.093 14.102 -18.951 1.00 0.00 C ATOM 380 SD MET A 24 -7.869 12.965 -17.564 1.00 0.00 S ATOM 381 CE MET A 24 -7.738 14.082 -16.170 1.00 0.00 C ATOM 0 H MET A 24 -7.840 17.095 -19.719 1.00 0.00 H new ATOM 0 HA MET A 24 -9.742 15.277 -20.724 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.762 15.863 -17.926 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.025 14.685 -18.224 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.378 13.536 -19.838 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.144 14.589 -19.174 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.509 13.514 -15.269 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.943 14.804 -16.356 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.683 14.609 -16.036 1.00 0.00 H new ATOM 391 N ALA A 25 -10.903 17.735 -18.758 1.00 0.00 N ATOM 392 CA ALA A 25 -12.096 18.523 -18.370 1.00 0.00 C ATOM 393 C ALA A 25 -12.846 19.010 -19.606 1.00 0.00 C ATOM 394 O ALA A 25 -14.065 18.852 -19.717 1.00 0.00 O ATOM 395 CB ALA A 25 -11.691 19.709 -17.485 1.00 0.00 C ATOM 0 H ALA A 25 -10.038 18.076 -18.339 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.762 17.877 -17.799 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.579 20.277 -17.209 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.202 19.340 -16.584 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.004 20.354 -18.033 1.00 0.00 H new ATOM 401 N LYS A 26 -12.066 19.553 -20.541 1.00 0.00 N ATOM 402 CA LYS A 26 -12.553 20.056 -21.825 1.00 0.00 C ATOM 403 C LYS A 26 -13.392 18.978 -22.545 1.00 0.00 C ATOM 404 O LYS A 26 -14.577 19.201 -22.835 1.00 0.00 O ATOM 405 CB LYS A 26 -11.342 20.511 -22.672 1.00 0.00 C ATOM 406 CG LYS A 26 -11.688 21.201 -24.010 1.00 0.00 C ATOM 407 CD LYS A 26 -10.436 21.786 -24.714 1.00 0.00 C ATOM 408 CE LYS A 26 -9.703 22.828 -23.846 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.558 23.445 -24.552 1.00 0.00 N ATOM 0 H LYS A 26 -11.058 19.657 -20.424 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.209 20.912 -21.669 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.740 21.196 -22.075 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.720 19.641 -22.882 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.171 20.482 -24.672 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.406 22.000 -23.828 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.750 20.976 -24.960 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.735 22.248 -25.655 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.405 23.607 -23.548 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.349 22.351 -22.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.098 24.138 -23.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.874 22.707 -24.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.897 23.924 -25.411 1.00 0.00 H new ATOM 423 N MET A 27 -12.778 17.787 -22.714 1.00 0.00 N ATOM 424 CA MET A 27 -13.410 16.608 -23.356 1.00 0.00 C ATOM 425 C MET A 27 -14.613 16.066 -22.556 1.00 0.00 C ATOM 426 O MET A 27 -15.544 15.514 -23.143 1.00 0.00 O ATOM 427 CB MET A 27 -12.378 15.473 -23.538 1.00 0.00 C ATOM 428 CG MET A 27 -11.246 15.784 -24.532 1.00 0.00 C ATOM 429 SD MET A 27 -10.144 14.381 -24.817 1.00 0.00 S ATOM 430 CE MET A 27 -9.461 14.095 -23.186 1.00 0.00 C ATOM 0 H MET A 27 -11.821 17.613 -22.407 1.00 0.00 H new ATOM 0 HA MET A 27 -13.776 16.947 -24.325 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.938 15.242 -22.568 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.900 14.576 -23.872 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.681 16.095 -25.482 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.663 16.625 -24.157 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.575 13.465 -23.268 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.187 15.048 -22.734 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.204 13.598 -22.563 1.00 0.00 H new ATOM 440 N GLN A 28 -14.554 16.187 -21.216 1.00 0.00 N ATOM 441 CA GLN A 28 -15.652 15.777 -20.313 1.00 0.00 C ATOM 442 C GLN A 28 -16.889 16.656 -20.571 1.00 0.00 C ATOM 443 O GLN A 28 -18.024 16.210 -20.409 1.00 0.00 O ATOM 444 CB GLN A 28 -15.212 15.869 -18.816 1.00 0.00 C ATOM 445 CG GLN A 28 -14.147 14.844 -18.371 1.00 0.00 C ATOM 446 CD GLN A 28 -14.618 13.394 -18.437 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.179 12.870 -17.479 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.400 12.739 -19.565 1.00 0.00 N ATOM 0 H GLN A 28 -13.745 16.571 -20.727 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.904 14.737 -20.519 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.826 16.871 -18.630 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.094 15.746 -18.188 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.263 14.957 -18.999 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.843 15.071 -17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.931 13.204 -20.342 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.701 11.769 -19.658 1.00 0.00 H new ATOM 457 N GLY A 29 -16.635 17.906 -20.987 1.00 0.00 N ATOM 458 CA GLY A 29 -17.685 18.851 -21.366 1.00 0.00 C ATOM 459 C GLY A 29 -17.541 20.150 -20.611 1.00 0.00 C ATOM 460 O GLY A 29 -18.528 20.700 -20.107 1.00 0.00 O ATOM 0 H GLY A 29 -15.692 18.286 -21.069 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.638 19.042 -22.438 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.663 18.414 -21.163 1.00 0.00 H new ATOM 464 N PHE A 30 -16.289 20.644 -20.513 1.00 0.00 N ATOM 465 CA PHE A 30 -15.963 21.860 -19.725 1.00 0.00 C ATOM 466 C PHE A 30 -15.007 22.782 -20.502 1.00 0.00 C ATOM 467 O PHE A 30 -14.672 22.523 -21.665 1.00 0.00 O ATOM 468 CB PHE A 30 -15.328 21.472 -18.349 1.00 0.00 C ATOM 469 CG PHE A 30 -16.232 20.652 -17.419 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.237 21.271 -16.677 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.078 19.268 -17.294 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.056 20.534 -15.838 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.896 18.535 -16.457 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.885 19.168 -15.730 1.00 0.00 C ATOM 0 H PHE A 30 -15.482 20.220 -20.970 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.893 22.399 -19.545 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.416 20.905 -18.535 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.035 22.386 -17.832 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.379 22.339 -16.758 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.308 18.765 -17.860 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.829 21.028 -15.268 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.762 17.467 -16.371 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.525 18.594 -15.076 1.00 0.00 H new ATOM 484 N ASP A 31 -14.613 23.879 -19.838 1.00 0.00 N ATOM 485 CA ASP A 31 -13.563 24.785 -20.297 1.00 0.00 C ATOM 486 C ASP A 31 -12.983 25.497 -19.068 1.00 0.00 C ATOM 487 O ASP A 31 -13.614 26.409 -18.510 1.00 0.00 O ATOM 488 CB ASP A 31 -14.112 25.807 -21.336 1.00 0.00 C ATOM 489 CG ASP A 31 -13.048 26.829 -21.780 1.00 0.00 C ATOM 490 OD1 ASP A 31 -12.002 26.414 -22.326 1.00 0.00 O ATOM 491 OD2 ASP A 31 -13.242 28.048 -21.584 1.00 0.00 O ATOM 0 H ASP A 31 -15.027 24.162 -18.950 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.780 24.220 -20.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.481 25.269 -22.209 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.962 26.337 -20.905 1.00 0.00 H new ATOM 496 N LEU A 32 -11.818 25.022 -18.602 1.00 0.00 N ATOM 497 CA LEU A 32 -11.098 25.629 -17.471 1.00 0.00 C ATOM 498 C LEU A 32 -10.443 26.953 -17.928 1.00 0.00 C ATOM 499 O LEU A 32 -9.984 27.029 -19.075 1.00 0.00 O ATOM 500 CB LEU A 32 -10.036 24.634 -16.911 1.00 0.00 C ATOM 501 CG LEU A 32 -10.592 23.255 -16.410 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.471 22.375 -15.816 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.754 23.437 -15.396 1.00 0.00 C ATOM 0 H LEU A 32 -11.349 24.207 -18.998 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.800 25.851 -16.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.296 24.445 -17.689 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.514 25.116 -16.085 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.995 22.738 -17.281 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.892 21.428 -15.479 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.715 22.186 -16.578 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.014 22.890 -14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.111 22.459 -15.073 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.398 23.997 -14.531 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.569 23.983 -15.871 1.00 0.00 H new ATOM 515 N PRO A 33 -10.399 28.013 -17.054 1.00 0.00 N ATOM 516 CA PRO A 33 -9.877 29.354 -17.430 1.00 0.00 C ATOM 517 C PRO A 33 -8.403 29.303 -17.900 1.00 0.00 C ATOM 518 O PRO A 33 -7.564 28.656 -17.270 1.00 0.00 O ATOM 519 CB PRO A 33 -10.034 30.187 -16.121 1.00 0.00 C ATOM 520 CG PRO A 33 -10.101 29.161 -15.030 1.00 0.00 C ATOM 521 CD PRO A 33 -10.849 27.995 -15.635 1.00 0.00 C ATOM 0 HA PRO A 33 -10.414 29.783 -18.276 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.192 30.864 -15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.935 30.800 -16.146 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.104 28.864 -14.705 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.619 29.550 -14.153 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.598 27.055 -15.143 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.929 28.120 -15.552 1.00 0.00 H new ATOM 529 N GLN A 34 -8.126 29.967 -19.038 1.00 0.00 N ATOM 530 CA GLN A 34 -6.761 30.158 -19.571 1.00 0.00 C ATOM 531 C GLN A 34 -6.040 31.299 -18.802 1.00 0.00 C ATOM 532 O GLN A 34 -4.825 31.499 -18.956 1.00 0.00 O ATOM 533 CB GLN A 34 -6.834 30.466 -21.097 1.00 0.00 C ATOM 534 CG GLN A 34 -5.463 30.540 -21.822 1.00 0.00 C ATOM 535 CD GLN A 34 -5.539 30.961 -23.295 1.00 0.00 C ATOM 536 OE1 GLN A 34 -4.724 30.531 -24.116 1.00 0.00 O ATOM 537 NE2 GLN A 34 -6.484 31.826 -23.642 1.00 0.00 N ATOM 0 H GLN A 34 -8.849 30.390 -19.620 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.184 29.244 -19.430 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.440 29.698 -21.578 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.352 31.415 -21.236 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.823 31.244 -21.290 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.982 29.564 -21.762 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.145 32.166 -22.944 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.549 32.151 -24.607 1.00 0.00 H new ATOM 546 N SER A 35 -6.828 32.025 -17.970 1.00 0.00 N ATOM 547 CA SER A 35 -6.388 33.079 -17.028 1.00 0.00 C ATOM 548 C SER A 35 -5.052 32.708 -16.291 1.00 0.00 C ATOM 549 O SER A 35 -4.840 31.532 -16.045 1.00 0.00 O ATOM 550 CB SER A 35 -7.544 33.278 -16.016 1.00 0.00 C ATOM 551 OG SER A 35 -8.776 33.525 -16.671 1.00 0.00 O ATOM 0 H SER A 35 -7.837 31.882 -17.938 1.00 0.00 H new ATOM 0 HA SER A 35 -6.172 33.998 -17.573 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.636 32.391 -15.389 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.310 34.112 -15.355 1.00 0.00 H new ATOM 0 HG SER A 35 -9.483 33.644 -16.003 1.00 0.00 H new ATOM 557 N PRO A 36 -4.216 33.721 -15.840 1.00 0.00 N ATOM 558 CA PRO A 36 -2.747 33.601 -15.578 1.00 0.00 C ATOM 559 C PRO A 36 -2.181 32.159 -15.395 1.00 0.00 C ATOM 560 O PRO A 36 -1.822 31.512 -16.388 1.00 0.00 O ATOM 561 CB PRO A 36 -2.545 34.500 -14.322 1.00 0.00 C ATOM 562 CG PRO A 36 -3.751 35.420 -14.271 1.00 0.00 C ATOM 563 CD PRO A 36 -4.647 35.073 -15.458 1.00 0.00 C ATOM 0 HA PRO A 36 -2.176 33.913 -16.452 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.475 33.897 -13.417 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.620 35.072 -14.396 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.291 35.292 -13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.439 36.463 -14.319 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.701 35.094 -15.183 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.518 35.780 -16.277 1.00 0.00 H new ATOM 571 N GLN A 37 -2.164 31.654 -14.142 1.00 0.00 N ATOM 572 CA GLN A 37 -1.615 30.323 -13.779 1.00 0.00 C ATOM 573 C GLN A 37 -2.253 29.798 -12.463 1.00 0.00 C ATOM 574 O GLN A 37 -2.813 28.705 -12.498 1.00 0.00 O ATOM 575 CB GLN A 37 -0.036 30.291 -13.688 1.00 0.00 C ATOM 576 CG GLN A 37 0.731 30.215 -15.041 1.00 0.00 C ATOM 577 CD GLN A 37 0.573 28.895 -15.814 1.00 0.00 C ATOM 578 OE1 GLN A 37 -0.434 28.194 -15.717 1.00 0.00 O ATOM 579 NE2 GLN A 37 1.566 28.561 -16.620 1.00 0.00 N ATOM 0 H GLN A 37 -2.536 32.164 -13.341 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.885 29.656 -14.597 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.294 31.184 -13.157 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.255 29.433 -13.081 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.393 31.032 -15.678 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.791 30.379 -14.848 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.392 29.156 -16.686 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.506 27.708 -17.176 1.00 0.00 H new ATOM 588 N PRO A 38 -2.211 30.551 -11.278 1.00 0.00 N ATOM 589 CA PRO A 38 -2.732 30.032 -9.969 1.00 0.00 C ATOM 590 C PRO A 38 -4.222 29.624 -10.033 1.00 0.00 C ATOM 591 O PRO A 38 -4.674 28.679 -9.374 1.00 0.00 O ATOM 592 CB PRO A 38 -2.536 31.225 -8.989 1.00 0.00 C ATOM 593 CG PRO A 38 -1.475 32.077 -9.625 1.00 0.00 C ATOM 594 CD PRO A 38 -1.668 31.934 -11.115 1.00 0.00 C ATOM 0 HA PRO A 38 -2.208 29.126 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.463 31.783 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.227 30.879 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.573 33.118 -9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.479 31.748 -9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.360 32.683 -11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.729 32.060 -11.653 1.00 0.00 H new ATOM 602 N VAL A 39 -4.955 30.369 -10.857 1.00 0.00 N ATOM 603 CA VAL A 39 -6.386 30.163 -11.119 1.00 0.00 C ATOM 604 C VAL A 39 -6.640 28.882 -11.947 1.00 0.00 C ATOM 605 O VAL A 39 -7.657 28.212 -11.751 1.00 0.00 O ATOM 606 CB VAL A 39 -6.972 31.431 -11.841 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.016 32.644 -10.876 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.142 31.766 -13.099 1.00 0.00 C ATOM 0 H VAL A 39 -4.564 31.155 -11.377 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.896 30.025 -10.166 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.993 31.208 -12.150 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.425 33.509 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.647 32.405 -10.020 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.007 32.871 -10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.561 32.646 -13.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.110 31.967 -12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.169 30.922 -13.788 1.00 0.00 H new ATOM 618 N ARG A 40 -5.696 28.546 -12.856 1.00 0.00 N ATOM 619 CA ARG A 40 -5.748 27.292 -13.649 1.00 0.00 C ATOM 620 C ARG A 40 -5.504 26.099 -12.716 1.00 0.00 C ATOM 621 O ARG A 40 -6.174 25.085 -12.817 1.00 0.00 O ATOM 622 CB ARG A 40 -4.679 27.291 -14.779 1.00 0.00 C ATOM 623 CG ARG A 40 -4.732 28.521 -15.692 1.00 0.00 C ATOM 624 CD ARG A 40 -3.618 28.566 -16.753 1.00 0.00 C ATOM 625 NE ARG A 40 -3.793 27.556 -17.810 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.619 27.775 -19.123 1.00 0.00 C ATOM 627 NH1 ARG A 40 -3.302 28.988 -19.573 1.00 0.00 N ATOM 628 NH2 ARG A 40 -3.767 26.787 -19.978 1.00 0.00 N ATOM 0 H ARG A 40 -4.884 29.128 -13.061 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.731 27.218 -14.113 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.689 27.229 -14.328 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.809 26.395 -15.386 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.699 28.545 -16.195 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.670 29.419 -15.077 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.594 29.557 -17.205 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.654 28.413 -16.267 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.068 26.617 -17.522 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.189 29.762 -18.918 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.172 29.143 -20.573 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.014 25.856 -19.643 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.635 26.952 -20.976 1.00 0.00 H new ATOM 642 N VAL A 41 -4.530 26.281 -11.802 1.00 0.00 N ATOM 643 CA VAL A 41 -4.129 25.279 -10.800 1.00 0.00 C ATOM 644 C VAL A 41 -5.335 24.855 -9.931 1.00 0.00 C ATOM 645 O VAL A 41 -5.641 23.659 -9.792 1.00 0.00 O ATOM 646 CB VAL A 41 -2.936 25.843 -9.919 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.504 24.860 -8.816 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.727 26.218 -10.818 1.00 0.00 C ATOM 0 H VAL A 41 -3.992 27.145 -11.740 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.776 24.385 -11.313 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.303 26.740 -9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.685 25.294 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.347 24.663 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.174 23.926 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.918 26.603 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.384 25.333 -11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.029 26.982 -11.535 1.00 0.00 H new ATOM 658 N LYS A 42 -6.052 25.862 -9.418 1.00 0.00 N ATOM 659 CA LYS A 42 -7.226 25.666 -8.542 1.00 0.00 C ATOM 660 C LYS A 42 -8.420 25.093 -9.359 1.00 0.00 C ATOM 661 O LYS A 42 -9.185 24.263 -8.853 1.00 0.00 O ATOM 662 CB LYS A 42 -7.567 27.023 -7.839 1.00 0.00 C ATOM 663 CG LYS A 42 -8.322 26.914 -6.479 1.00 0.00 C ATOM 664 CD LYS A 42 -9.814 26.509 -6.599 1.00 0.00 C ATOM 665 CE LYS A 42 -10.632 27.471 -7.488 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.643 28.855 -6.969 1.00 0.00 N ATOM 0 H LYS A 42 -5.837 26.843 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.005 24.934 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.638 27.568 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.171 27.622 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.810 26.184 -5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.260 27.874 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.879 25.501 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.257 26.478 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.218 27.468 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.657 27.107 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.205 29.459 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.063 28.866 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.669 29.216 -6.922 1.00 0.00 H new ATOM 680 N ALA A 43 -8.560 25.547 -10.623 1.00 0.00 N ATOM 681 CA ALA A 43 -9.606 25.049 -11.558 1.00 0.00 C ATOM 682 C ALA A 43 -9.481 23.529 -11.810 1.00 0.00 C ATOM 683 O ALA A 43 -10.475 22.779 -11.724 1.00 0.00 O ATOM 684 CB ALA A 43 -9.528 25.810 -12.891 1.00 0.00 C ATOM 0 H ALA A 43 -7.958 26.264 -11.027 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.575 25.227 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.297 25.438 -13.568 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.685 26.874 -12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.546 25.659 -13.339 1.00 0.00 H new ATOM 690 N VAL A 44 -8.241 23.101 -12.113 1.00 0.00 N ATOM 691 CA VAL A 44 -7.897 21.689 -12.357 1.00 0.00 C ATOM 692 C VAL A 44 -8.166 20.851 -11.102 1.00 0.00 C ATOM 693 O VAL A 44 -8.730 19.769 -11.202 1.00 0.00 O ATOM 694 CB VAL A 44 -6.402 21.534 -12.834 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.974 20.049 -12.949 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.192 22.257 -14.186 1.00 0.00 C ATOM 0 H VAL A 44 -7.444 23.732 -12.196 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.533 21.320 -13.161 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.771 21.996 -12.075 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.937 19.994 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.070 19.566 -11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.613 19.541 -13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.156 22.142 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.852 21.823 -14.937 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.421 23.317 -14.071 1.00 0.00 H new ATOM 706 N TYR A 45 -7.794 21.399 -9.928 1.00 0.00 N ATOM 707 CA TYR A 45 -8.084 20.787 -8.613 1.00 0.00 C ATOM 708 C TYR A 45 -9.586 20.460 -8.458 1.00 0.00 C ATOM 709 O TYR A 45 -9.927 19.315 -8.162 1.00 0.00 O ATOM 710 CB TYR A 45 -7.598 21.731 -7.483 1.00 0.00 C ATOM 711 CG TYR A 45 -8.180 21.457 -6.084 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.672 20.442 -5.265 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.251 22.217 -5.593 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.214 20.203 -4.011 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.790 21.975 -4.352 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.272 20.972 -3.564 1.00 0.00 C ATOM 717 OH TYR A 45 -9.830 20.737 -2.332 1.00 0.00 O ATOM 0 H TYR A 45 -7.283 22.280 -9.863 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.545 19.842 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.512 21.666 -7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.841 22.756 -7.762 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.848 19.838 -5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.661 23.009 -6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.811 19.419 -3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.618 22.570 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.562 21.370 -2.178 1.00 0.00 H new ATOM 727 N LEU A 46 -10.460 21.474 -8.676 1.00 0.00 N ATOM 728 CA LEU A 46 -11.936 21.326 -8.541 1.00 0.00 C ATOM 729 C LEU A 46 -12.464 20.205 -9.441 1.00 0.00 C ATOM 730 O LEU A 46 -13.272 19.369 -9.007 1.00 0.00 O ATOM 731 CB LEU A 46 -12.672 22.649 -8.885 1.00 0.00 C ATOM 732 CG LEU A 46 -12.427 23.846 -7.918 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.224 25.087 -8.371 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.754 23.466 -6.453 1.00 0.00 C ATOM 0 H LEU A 46 -10.167 22.412 -8.949 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.135 21.072 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.377 22.954 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.743 22.447 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.367 24.097 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.038 25.910 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.909 25.375 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.289 24.853 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.572 24.324 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.801 23.171 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.120 22.636 -6.142 1.00 0.00 H new ATOM 746 N PHE A 47 -11.970 20.195 -10.694 1.00 0.00 N ATOM 747 CA PHE A 47 -12.306 19.161 -11.685 1.00 0.00 C ATOM 748 C PHE A 47 -11.895 17.753 -11.183 1.00 0.00 C ATOM 749 O PHE A 47 -12.702 16.830 -11.221 1.00 0.00 O ATOM 750 CB PHE A 47 -11.643 19.493 -13.061 1.00 0.00 C ATOM 751 CG PHE A 47 -11.538 18.294 -14.015 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.681 17.655 -14.507 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.292 17.782 -14.379 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.575 16.546 -15.328 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.190 16.684 -15.205 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.330 16.062 -15.677 1.00 0.00 C ATOM 0 H PHE A 47 -11.327 20.905 -11.045 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.387 19.153 -11.823 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.218 20.281 -13.548 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.644 19.890 -12.884 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.658 18.032 -14.243 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.394 18.253 -14.008 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.466 16.059 -15.696 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.217 16.309 -15.484 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.247 15.197 -16.319 1.00 0.00 H new ATOM 766 N LEU A 48 -10.646 17.616 -10.719 1.00 0.00 N ATOM 767 CA LEU A 48 -10.072 16.320 -10.300 1.00 0.00 C ATOM 768 C LEU A 48 -10.777 15.749 -9.047 1.00 0.00 C ATOM 769 O LEU A 48 -10.985 14.545 -8.962 1.00 0.00 O ATOM 770 CB LEU A 48 -8.551 16.451 -10.042 1.00 0.00 C ATOM 771 CG LEU A 48 -7.653 16.811 -11.268 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.176 16.895 -10.846 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.845 15.825 -12.444 1.00 0.00 C ATOM 0 H LEU A 48 -10.000 18.399 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.235 15.620 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.401 17.213 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.195 15.508 -9.627 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.967 17.791 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.564 17.147 -11.712 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.059 17.664 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.857 15.933 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.200 16.117 -13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.586 14.817 -12.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.885 15.845 -12.770 1.00 0.00 H new ATOM 785 N VAL A 49 -11.136 16.617 -8.090 1.00 0.00 N ATOM 786 CA VAL A 49 -11.853 16.201 -6.859 1.00 0.00 C ATOM 787 C VAL A 49 -13.279 15.732 -7.220 1.00 0.00 C ATOM 788 O VAL A 49 -13.764 14.719 -6.700 1.00 0.00 O ATOM 789 CB VAL A 49 -11.913 17.353 -5.780 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.679 16.901 -4.512 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.494 17.833 -5.401 1.00 0.00 C ATOM 0 H VAL A 49 -10.944 17.618 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.294 15.377 -6.415 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.455 18.187 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.702 17.717 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.699 16.627 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.176 16.040 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.565 18.626 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.926 16.999 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.989 18.213 -6.289 1.00 0.00 H new ATOM 801 N ASP A 50 -13.915 16.472 -8.146 1.00 0.00 N ATOM 802 CA ASP A 50 -15.259 16.153 -8.672 1.00 0.00 C ATOM 803 C ASP A 50 -15.232 14.807 -9.428 1.00 0.00 C ATOM 804 O ASP A 50 -16.126 13.972 -9.280 1.00 0.00 O ATOM 805 CB ASP A 50 -15.720 17.297 -9.613 1.00 0.00 C ATOM 806 CG ASP A 50 -17.201 17.209 -10.026 1.00 0.00 C ATOM 807 OD1 ASP A 50 -17.525 16.499 -11.005 1.00 0.00 O ATOM 808 OD2 ASP A 50 -18.048 17.859 -9.374 1.00 0.00 O ATOM 0 H ASP A 50 -13.510 17.314 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.963 16.062 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.548 18.253 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.102 17.287 -10.511 1.00 0.00 H new ATOM 813 N ALA A 51 -14.152 14.605 -10.201 1.00 0.00 N ATOM 814 CA ALA A 51 -13.944 13.408 -11.036 1.00 0.00 C ATOM 815 C ALA A 51 -13.330 12.254 -10.212 1.00 0.00 C ATOM 816 O ALA A 51 -13.052 11.179 -10.756 1.00 0.00 O ATOM 817 CB ALA A 51 -13.050 13.766 -12.239 1.00 0.00 C ATOM 0 H ALA A 51 -13.388 15.277 -10.265 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.910 13.064 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.897 12.880 -12.855 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.533 14.542 -12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.087 14.129 -11.881 1.00 0.00 H new ATOM 823 N LYS A 52 -13.102 12.513 -8.893 1.00 0.00 N ATOM 824 CA LYS A 52 -12.611 11.522 -7.895 1.00 0.00 C ATOM 825 C LYS A 52 -11.174 11.036 -8.214 1.00 0.00 C ATOM 826 O LYS A 52 -10.733 9.984 -7.737 1.00 0.00 O ATOM 827 CB LYS A 52 -13.614 10.336 -7.750 1.00 0.00 C ATOM 828 CG LYS A 52 -15.084 10.773 -7.535 1.00 0.00 C ATOM 829 CD LYS A 52 -15.296 11.651 -6.277 1.00 0.00 C ATOM 830 CE LYS A 52 -16.673 12.343 -6.265 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.796 11.379 -6.397 1.00 0.00 N ATOM 0 H LYS A 52 -13.258 13.436 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.555 12.026 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.558 9.716 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.305 9.714 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.422 11.324 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.710 9.884 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.196 11.032 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.513 12.407 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.786 12.903 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.720 13.065 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.700 11.886 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.744 10.910 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.731 10.665 -5.644 1.00 0.00 H new ATOM 845 N GLN A 53 -10.458 11.839 -9.020 1.00 0.00 N ATOM 846 CA GLN A 53 -9.037 11.658 -9.335 1.00 0.00 C ATOM 847 C GLN A 53 -8.162 11.915 -8.089 1.00 0.00 C ATOM 848 O GLN A 53 -7.127 11.267 -7.913 1.00 0.00 O ATOM 849 CB GLN A 53 -8.633 12.617 -10.489 1.00 0.00 C ATOM 850 CG GLN A 53 -9.269 12.304 -11.861 1.00 0.00 C ATOM 851 CD GLN A 53 -8.782 10.991 -12.493 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.673 10.533 -12.237 1.00 0.00 O ATOM 853 NE2 GLN A 53 -9.588 10.398 -13.355 1.00 0.00 N ATOM 0 H GLN A 53 -10.866 12.652 -9.481 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.876 10.628 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.903 13.634 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.549 12.593 -10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.352 12.260 -11.746 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.055 13.125 -12.545 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.506 10.797 -13.552 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.293 9.541 -13.823 1.00 0.00 H new ATOM 862 N ILE A 54 -8.587 12.882 -7.238 1.00 0.00 N ATOM 863 CA ILE A 54 -7.922 13.201 -5.944 1.00 0.00 C ATOM 864 C ILE A 54 -8.970 13.445 -4.843 1.00 0.00 C ATOM 865 O ILE A 54 -10.168 13.582 -5.126 1.00 0.00 O ATOM 866 CB ILE A 54 -6.974 14.472 -6.022 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.736 15.701 -6.610 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.695 14.164 -6.813 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.928 16.986 -6.718 1.00 0.00 C ATOM 0 H ILE A 54 -9.402 13.465 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.305 12.334 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.670 14.730 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.101 15.438 -7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.611 15.894 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.066 15.054 -6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.151 13.355 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.958 13.864 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.553 17.774 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.585 17.284 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.067 16.821 -7.366 1.00 0.00 H new ATOM 881 N ALA A 55 -8.472 13.519 -3.597 1.00 0.00 N ATOM 882 CA ALA A 55 -9.260 13.822 -2.394 1.00 0.00 C ATOM 883 C ALA A 55 -9.333 15.357 -2.182 1.00 0.00 C ATOM 884 O ALA A 55 -8.423 16.081 -2.622 1.00 0.00 O ATOM 885 CB ALA A 55 -8.621 13.121 -1.170 1.00 0.00 C ATOM 0 H ALA A 55 -7.484 13.365 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.277 13.449 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.204 13.345 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.607 12.043 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.601 13.481 -1.036 1.00 0.00 H new ATOM 891 N PRO A 56 -10.422 15.884 -1.536 1.00 0.00 N ATOM 892 CA PRO A 56 -10.537 17.325 -1.220 1.00 0.00 C ATOM 893 C PRO A 56 -9.627 17.762 -0.048 1.00 0.00 C ATOM 894 O PRO A 56 -9.179 16.945 0.771 1.00 0.00 O ATOM 895 CB PRO A 56 -12.036 17.484 -0.863 1.00 0.00 C ATOM 896 CG PRO A 56 -12.431 16.150 -0.311 1.00 0.00 C ATOM 897 CD PRO A 56 -11.641 15.128 -1.104 1.00 0.00 C ATOM 0 HA PRO A 56 -10.214 17.955 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.188 18.278 -0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.628 17.742 -1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.202 16.083 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.503 15.984 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.381 14.262 -0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.208 14.758 -1.959 1.00 0.00 H new ATOM 905 N LEU A 57 -9.343 19.061 -0.021 1.00 0.00 N ATOM 906 CA LEU A 57 -8.650 19.743 1.073 1.00 0.00 C ATOM 907 C LEU A 57 -9.698 20.505 1.908 1.00 0.00 C ATOM 908 O LEU A 57 -10.612 21.105 1.325 1.00 0.00 O ATOM 909 CB LEU A 57 -7.616 20.748 0.491 1.00 0.00 C ATOM 910 CG LEU A 57 -6.454 20.131 -0.351 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.653 21.230 -1.087 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.528 19.255 0.535 1.00 0.00 C ATOM 0 H LEU A 57 -9.596 19.690 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.126 19.018 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.149 21.465 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.180 21.308 1.318 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.897 19.484 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.851 20.771 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.316 21.776 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.226 21.919 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.728 18.838 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.098 19.867 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.107 18.444 0.977 1.00 0.00 H new ATOM 924 N PRO A 58 -9.608 20.494 3.277 1.00 0.00 N ATOM 925 CA PRO A 58 -10.455 21.366 4.131 1.00 0.00 C ATOM 926 C PRO A 58 -10.146 22.861 3.887 1.00 0.00 C ATOM 927 O PRO A 58 -9.097 23.197 3.320 1.00 0.00 O ATOM 928 CB PRO A 58 -10.087 20.926 5.576 1.00 0.00 C ATOM 929 CG PRO A 58 -8.729 20.301 5.448 1.00 0.00 C ATOM 930 CD PRO A 58 -8.715 19.626 4.094 1.00 0.00 C ATOM 0 HA PRO A 58 -11.520 21.263 3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.069 21.777 6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.814 20.217 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.943 21.053 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.553 19.580 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.709 19.577 3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.087 18.603 4.149 1.00 0.00 H new ATOM 938 N ASP A 59 -11.046 23.745 4.343 1.00 0.00 N ATOM 939 CA ASP A 59 -10.918 25.213 4.159 1.00 0.00 C ATOM 940 C ASP A 59 -9.643 25.771 4.832 1.00 0.00 C ATOM 941 O ASP A 59 -9.160 26.843 4.459 1.00 0.00 O ATOM 942 CB ASP A 59 -12.173 25.930 4.709 1.00 0.00 C ATOM 943 CG ASP A 59 -13.463 25.545 3.958 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.970 24.420 4.173 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.965 26.348 3.135 1.00 0.00 O ATOM 0 H ASP A 59 -11.887 23.470 4.851 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.833 25.405 3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.289 25.689 5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.028 27.008 4.642 1.00 0.00 H new ATOM 950 N SER A 60 -9.123 25.033 5.838 1.00 0.00 N ATOM 951 CA SER A 60 -7.839 25.340 6.496 1.00 0.00 C ATOM 952 C SER A 60 -6.661 25.085 5.525 1.00 0.00 C ATOM 953 O SER A 60 -5.742 25.901 5.414 1.00 0.00 O ATOM 954 CB SER A 60 -7.676 24.472 7.771 1.00 0.00 C ATOM 955 OG SER A 60 -8.794 24.600 8.636 1.00 0.00 O ATOM 0 H SER A 60 -9.585 24.206 6.215 1.00 0.00 H new ATOM 0 HA SER A 60 -7.834 26.392 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.553 23.427 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.770 24.768 8.300 1.00 0.00 H new ATOM 0 HG SER A 60 -8.660 24.039 9.429 1.00 0.00 H new ATOM 961 N LYS A 61 -6.719 23.935 4.813 1.00 0.00 N ATOM 962 CA LYS A 61 -5.630 23.467 3.918 1.00 0.00 C ATOM 963 C LYS A 61 -5.894 23.854 2.452 1.00 0.00 C ATOM 964 O LYS A 61 -5.180 23.395 1.559 1.00 0.00 O ATOM 965 CB LYS A 61 -5.448 21.925 4.048 1.00 0.00 C ATOM 966 CG LYS A 61 -5.160 21.381 5.483 1.00 0.00 C ATOM 967 CD LYS A 61 -3.786 21.797 6.105 1.00 0.00 C ATOM 968 CE LYS A 61 -3.790 23.178 6.792 1.00 0.00 C ATOM 969 NZ LYS A 61 -2.488 23.506 7.409 1.00 0.00 N ATOM 0 H LYS A 61 -7.521 23.305 4.842 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.710 23.961 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.350 21.441 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.629 21.621 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.956 21.720 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.211 20.293 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.488 21.043 6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.031 21.798 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.045 23.944 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.566 23.198 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.542 24.443 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.255 22.791 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.749 23.515 6.677 1.00 0.00 H new ATOM 983 N LEU A 62 -6.908 24.706 2.206 1.00 0.00 N ATOM 984 CA LEU A 62 -7.234 25.200 0.851 1.00 0.00 C ATOM 985 C LEU A 62 -6.303 26.389 0.525 1.00 0.00 C ATOM 986 O LEU A 62 -6.706 27.556 0.545 1.00 0.00 O ATOM 987 CB LEU A 62 -8.763 25.574 0.754 1.00 0.00 C ATOM 988 CG LEU A 62 -9.477 25.278 -0.608 1.00 0.00 C ATOM 989 CD1 LEU A 62 -8.891 26.103 -1.771 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.450 23.767 -0.919 1.00 0.00 C ATOM 0 H LEU A 62 -7.522 25.070 2.935 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.065 24.422 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.295 25.037 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.867 26.638 0.968 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.516 25.589 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.421 25.861 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.004 27.166 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.833 25.867 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.951 23.582 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.416 23.427 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.964 23.223 -0.126 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.034 26.048 0.287 1.00 0.00 N ATOM 1003 CA ASP A 63 -3.944 26.990 -0.014 1.00 0.00 C ATOM 1004 C ASP A 63 -3.380 26.667 -1.398 1.00 0.00 C ATOM 1005 O ASP A 63 -3.344 25.502 -1.755 1.00 0.00 O ATOM 1006 CB ASP A 63 -2.846 26.853 1.074 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.558 27.638 0.775 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.522 28.861 1.015 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.572 27.031 0.296 1.00 0.00 O ATOM 0 H ASP A 63 -4.723 25.077 0.298 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.311 28.016 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.251 27.192 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.596 25.798 1.191 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.903 27.696 -2.127 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.402 27.543 -3.502 1.00 0.00 C ATOM 1016 C GLY A 64 -1.314 26.480 -3.671 1.00 0.00 C ATOM 1017 O GLY A 64 -1.362 25.699 -4.617 1.00 0.00 O ATOM 0 H GLY A 64 -2.856 28.653 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.239 27.293 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.010 28.502 -3.840 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.366 26.421 -2.712 1.00 0.00 N ATOM 1022 CA ALA A 65 0.729 25.423 -2.714 1.00 0.00 C ATOM 1023 C ALA A 65 0.193 24.016 -2.391 1.00 0.00 C ATOM 1024 O ALA A 65 0.693 23.015 -2.913 1.00 0.00 O ATOM 1025 CB ALA A 65 1.820 25.816 -1.707 1.00 0.00 C ATOM 0 H ALA A 65 -0.336 27.060 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 65 1.163 25.405 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.615 25.071 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.229 26.790 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.390 25.867 -0.706 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.841 23.958 -1.528 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.493 22.686 -1.129 1.00 0.00 C ATOM 1033 C ASN A 66 -2.297 22.103 -2.318 1.00 0.00 C ATOM 1034 O ASN A 66 -2.376 20.878 -2.487 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.420 22.898 0.103 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.710 23.303 1.414 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -2.166 22.948 2.508 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -0.633 24.083 1.345 1.00 0.00 N ATOM 0 H ASN A 66 -1.248 24.783 -1.088 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.716 21.976 -0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.152 23.667 -0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.973 21.976 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.174 24.395 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.267 24.368 0.437 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.890 23.013 -3.125 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.560 22.681 -4.393 1.00 0.00 C ATOM 1047 C ILE A 67 -2.534 22.070 -5.374 1.00 0.00 C ATOM 1048 O ILE A 67 -2.782 21.028 -5.985 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.209 23.962 -5.060 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.261 24.650 -4.129 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.835 23.617 -6.428 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.482 23.813 -3.815 1.00 0.00 C ATOM 0 H ILE A 67 -2.914 24.009 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.353 21.966 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.402 24.678 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.773 24.920 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.586 25.579 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.274 24.514 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.064 23.230 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.610 22.863 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.151 24.376 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.001 23.564 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.175 22.895 -3.313 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.370 22.744 -5.480 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.245 22.313 -6.336 1.00 0.00 C ATOM 1066 C LYS A 68 0.265 20.924 -5.942 1.00 0.00 C ATOM 1067 O LYS A 68 0.652 20.144 -6.804 1.00 0.00 O ATOM 1068 CB LYS A 68 0.922 23.321 -6.255 1.00 0.00 C ATOM 1069 CG LYS A 68 0.630 24.687 -6.884 1.00 0.00 C ATOM 1070 CD LYS A 68 1.812 25.667 -6.739 1.00 0.00 C ATOM 1071 CE LYS A 68 1.490 27.048 -7.313 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.609 28.001 -7.133 1.00 0.00 N ATOM 0 H LYS A 68 -1.183 23.608 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.622 22.270 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.187 23.467 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.793 22.888 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.399 24.555 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.255 25.118 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.074 25.765 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.685 25.258 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.261 26.954 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.597 27.442 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.348 28.923 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.811 28.111 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.455 27.639 -7.617 1.00 0.00 H new ATOM 1086 N HIS A 69 0.263 20.644 -4.625 1.00 0.00 N ATOM 1087 CA HIS A 69 0.739 19.360 -4.079 1.00 0.00 C ATOM 1088 C HIS A 69 -0.252 18.236 -4.443 1.00 0.00 C ATOM 1089 O HIS A 69 0.157 17.124 -4.761 1.00 0.00 O ATOM 1090 CB HIS A 69 0.955 19.461 -2.540 1.00 0.00 C ATOM 1091 CG HIS A 69 2.005 18.514 -2.004 1.00 0.00 C ATOM 1092 ND1 HIS A 69 1.771 17.597 -1.000 1.00 0.00 N ATOM 1093 CD2 HIS A 69 3.317 18.374 -2.329 1.00 0.00 C ATOM 1094 CE1 HIS A 69 2.891 16.948 -0.729 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.841 17.400 -1.520 1.00 0.00 N ATOM 0 H HIS A 69 -0.066 21.297 -3.914 1.00 0.00 H new ATOM 0 HA HIS A 69 1.704 19.118 -4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.240 20.483 -2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.009 19.261 -2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.850 18.929 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.007 16.176 0.017 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.809 17.078 -1.529 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.560 18.563 -4.422 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.631 17.653 -4.893 1.00 0.00 C ATOM 1106 C ARG A 70 -2.404 17.267 -6.366 1.00 0.00 C ATOM 1107 O ARG A 70 -2.410 16.083 -6.710 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.037 18.304 -4.721 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.622 18.241 -3.299 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.801 16.788 -2.812 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.706 16.694 -1.651 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.655 15.749 -0.703 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.708 14.822 -0.717 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.566 15.730 0.252 1.00 0.00 N ATOM 0 H ARG A 70 -1.905 19.460 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.594 16.751 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.975 19.349 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.732 17.815 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.965 18.775 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.585 18.751 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.194 16.180 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.828 16.374 -2.546 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.430 17.407 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.005 14.822 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.682 14.109 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.305 16.433 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.531 15.012 0.976 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.170 18.292 -7.205 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.948 18.121 -8.652 1.00 0.00 C ATOM 1130 C LEU A 71 -0.638 17.358 -8.936 1.00 0.00 C ATOM 1131 O LEU A 71 -0.572 16.551 -9.871 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.911 19.496 -9.370 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.152 20.432 -9.186 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.101 21.616 -10.166 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.489 19.671 -9.302 1.00 0.00 C ATOM 0 H LEU A 71 -2.129 19.264 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.782 17.535 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.028 20.034 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.778 19.317 -10.437 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.102 20.825 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.975 22.250 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.196 22.197 -9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.096 21.241 -11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.317 20.367 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.561 19.209 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.536 18.898 -8.535 1.00 0.00 H new ATOM 1147 N ALA A 72 0.387 17.637 -8.104 1.00 0.00 N ATOM 1148 CA ALA A 72 1.736 17.064 -8.242 1.00 0.00 C ATOM 1149 C ALA A 72 1.698 15.546 -8.047 1.00 0.00 C ATOM 1150 O ALA A 72 2.085 14.799 -8.942 1.00 0.00 O ATOM 1151 CB ALA A 72 2.705 17.720 -7.242 1.00 0.00 C ATOM 0 H ALA A 72 0.297 18.273 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 72 2.097 17.268 -9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.697 17.284 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.755 18.792 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.350 17.549 -6.226 1.00 0.00 H new ATOM 1157 N LEU A 73 1.177 15.108 -6.882 1.00 0.00 N ATOM 1158 CA LEU A 73 1.076 13.673 -6.537 1.00 0.00 C ATOM 1159 C LEU A 73 0.045 12.953 -7.409 1.00 0.00 C ATOM 1160 O LEU A 73 0.185 11.743 -7.640 1.00 0.00 O ATOM 1161 CB LEU A 73 0.757 13.440 -5.037 1.00 0.00 C ATOM 1162 CG LEU A 73 1.949 13.670 -4.050 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.240 15.165 -3.843 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.714 12.937 -2.716 1.00 0.00 C ATOM 0 H LEU A 73 0.817 15.732 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 73 2.060 13.249 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.061 14.101 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.399 12.418 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 73 2.841 13.240 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.074 15.281 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.495 15.622 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.357 15.654 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.558 13.115 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.801 13.310 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.616 11.867 -2.901 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.987 13.697 -7.879 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.984 13.147 -8.805 1.00 0.00 C ATOM 1178 C TRP A 74 -1.299 12.648 -10.083 1.00 0.00 C ATOM 1179 O TRP A 74 -1.322 11.458 -10.362 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.080 14.177 -9.192 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.998 13.647 -10.274 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.880 12.613 -10.166 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.059 14.081 -11.639 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.475 12.379 -11.373 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -4.994 13.270 -12.289 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.408 15.079 -12.364 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.304 13.426 -13.627 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.716 15.240 -13.697 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.649 14.408 -14.320 1.00 0.00 C ATOM 0 H TRP A 74 -1.142 14.673 -7.628 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.470 12.323 -8.283 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.668 14.430 -8.310 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.608 15.097 -9.536 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.079 12.060 -9.260 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.168 11.654 -11.560 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.675 15.714 -11.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.037 12.796 -14.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.230 16.018 -14.267 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.858 14.542 -15.371 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.682 13.584 -10.829 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.084 13.295 -12.143 1.00 0.00 C ATOM 1202 C ILE A 75 1.158 12.400 -11.983 1.00 0.00 C ATOM 1203 O ILE A 75 1.516 11.664 -12.891 1.00 0.00 O ATOM 1204 CB ILE A 75 0.262 14.617 -12.927 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.562 14.314 -14.435 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.432 15.378 -12.260 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.567 13.629 -15.198 1.00 0.00 C ATOM 0 H ILE A 75 -0.585 14.557 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.822 12.755 -12.736 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.613 15.266 -12.887 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.801 15.252 -14.937 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.451 13.686 -14.493 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.645 16.285 -12.826 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.158 15.643 -11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.318 14.743 -12.245 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.260 13.464 -16.231 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.794 12.672 -14.729 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.454 14.262 -15.180 1.00 0.00 H new ATOM 1219 N HIS A 76 1.778 12.457 -10.794 1.00 0.00 N ATOM 1220 CA HIS A 76 2.916 11.600 -10.444 1.00 0.00 C ATOM 1221 C HIS A 76 2.465 10.132 -10.319 1.00 0.00 C ATOM 1222 O HIS A 76 3.211 9.227 -10.653 1.00 0.00 O ATOM 1223 CB HIS A 76 3.548 12.090 -9.125 1.00 0.00 C ATOM 1224 CG HIS A 76 4.892 11.512 -8.832 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.118 10.671 -7.781 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.092 11.698 -9.432 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.385 10.358 -7.745 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.001 10.964 -8.735 1.00 0.00 N ATOM 0 H HIS A 76 1.503 13.099 -10.050 1.00 0.00 H new ATOM 0 HA HIS A 76 3.663 11.658 -11.235 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.633 13.176 -9.159 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.875 11.848 -8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.290 12.312 -10.298 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.851 9.707 -7.020 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.997 10.895 -8.946 1.00 0.00 H new ATOM 1237 N ALA A 77 1.240 9.916 -9.806 1.00 0.00 N ATOM 1238 CA ALA A 77 0.627 8.568 -9.714 1.00 0.00 C ATOM 1239 C ALA A 77 -0.199 8.217 -10.982 1.00 0.00 C ATOM 1240 O ALA A 77 -0.475 7.039 -11.230 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.243 8.479 -8.453 1.00 0.00 C ATOM 0 H ALA A 77 0.646 10.662 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 77 1.431 7.835 -9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.691 7.487 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.374 8.655 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.031 9.231 -8.501 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.590 9.248 -11.767 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.431 9.090 -12.983 1.00 0.00 C ATOM 1249 C ALA A 78 -0.578 8.620 -14.166 1.00 0.00 C ATOM 1250 O ALA A 78 -0.998 7.742 -14.935 1.00 0.00 O ATOM 1251 CB ALA A 78 -2.165 10.403 -13.331 1.00 0.00 C ATOM 0 H ALA A 78 -0.332 10.216 -11.577 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.186 8.332 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.771 10.255 -14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.808 10.692 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.434 11.191 -13.515 1.00 0.00 H new ATOM 1257 N LEU A 79 0.615 9.230 -14.311 1.00 0.00 N ATOM 1258 CA LEU A 79 1.653 8.757 -15.238 1.00 0.00 C ATOM 1259 C LEU A 79 2.073 7.329 -14.811 1.00 0.00 C ATOM 1260 O LEU A 79 2.500 7.153 -13.668 1.00 0.00 O ATOM 1261 CB LEU A 79 2.875 9.726 -15.236 1.00 0.00 C ATOM 1262 CG LEU A 79 2.625 11.152 -15.847 1.00 0.00 C ATOM 1263 CD1 LEU A 79 3.859 12.076 -15.672 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.205 11.055 -17.336 1.00 0.00 C ATOM 0 H LEU A 79 0.882 10.064 -13.788 1.00 0.00 H new ATOM 0 HA LEU A 79 1.262 8.734 -16.255 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.215 9.848 -14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.689 9.254 -15.787 1.00 0.00 H new ATOM 0 HG LEU A 79 1.801 11.603 -15.294 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.647 13.053 -16.107 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.079 12.192 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.719 11.634 -16.175 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.039 12.056 -17.733 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.995 10.565 -17.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.286 10.475 -17.418 1.00 0.00 H new ATOM 1276 N PRO A 80 1.904 6.285 -15.693 1.00 0.00 N ATOM 1277 CA PRO A 80 2.148 4.860 -15.322 1.00 0.00 C ATOM 1278 C PRO A 80 3.622 4.558 -14.958 1.00 0.00 C ATOM 1279 O PRO A 80 3.903 3.619 -14.203 1.00 0.00 O ATOM 1280 CB PRO A 80 1.687 4.077 -16.586 1.00 0.00 C ATOM 1281 CG PRO A 80 1.802 5.068 -17.705 1.00 0.00 C ATOM 1282 CD PRO A 80 1.430 6.401 -17.105 1.00 0.00 C ATOM 0 HA PRO A 80 1.608 4.579 -14.418 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.315 3.204 -16.763 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.664 3.717 -16.478 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.814 5.088 -18.108 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.136 4.809 -18.528 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.915 7.226 -17.626 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.356 6.580 -17.156 1.00 0.00 H new ATOM 1290 N ASP A 81 4.549 5.360 -15.509 1.00 0.00 N ATOM 1291 CA ASP A 81 5.993 5.278 -15.188 1.00 0.00 C ATOM 1292 C ASP A 81 6.301 5.996 -13.849 1.00 0.00 C ATOM 1293 O ASP A 81 7.336 5.735 -13.216 1.00 0.00 O ATOM 1294 CB ASP A 81 6.813 5.888 -16.356 1.00 0.00 C ATOM 1295 CG ASP A 81 8.337 5.834 -16.140 1.00 0.00 C ATOM 1296 OD1 ASP A 81 8.912 4.727 -16.217 1.00 0.00 O ATOM 1297 OD2 ASP A 81 8.971 6.886 -15.892 1.00 0.00 O ATOM 0 H ASP A 81 4.323 6.085 -16.190 1.00 0.00 H new ATOM 0 HA ASP A 81 6.277 4.233 -15.067 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.567 5.358 -17.276 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.512 6.926 -16.496 1.00 0.00 H new ATOM 1302 N ASN A 82 5.352 6.860 -13.425 1.00 0.00 N ATOM 1303 CA ASN A 82 5.431 7.676 -12.198 1.00 0.00 C ATOM 1304 C ASN A 82 6.571 8.696 -12.296 1.00 0.00 C ATOM 1305 O ASN A 82 7.297 8.948 -11.322 1.00 0.00 O ATOM 1306 CB ASN A 82 5.520 6.793 -10.907 1.00 0.00 C ATOM 1307 CG ASN A 82 4.295 5.882 -10.679 1.00 0.00 C ATOM 1308 OD1 ASN A 82 4.421 4.795 -10.121 1.00 0.00 O ATOM 1309 ND2 ASN A 82 3.098 6.325 -11.067 1.00 0.00 N ATOM 0 H ASN A 82 4.487 7.011 -13.943 1.00 0.00 H new ATOM 0 HA ASN A 82 4.501 8.238 -12.109 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.414 6.173 -10.965 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.640 7.445 -10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.266 5.758 -10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.014 7.231 -11.529 1.00 0.00 H new ATOM 1316 N ASP A 83 6.653 9.306 -13.497 1.00 0.00 N ATOM 1317 CA ASP A 83 7.714 10.246 -13.903 1.00 0.00 C ATOM 1318 C ASP A 83 7.901 11.390 -12.882 1.00 0.00 C ATOM 1319 O ASP A 83 6.904 11.946 -12.395 1.00 0.00 O ATOM 1320 CB ASP A 83 7.381 10.875 -15.284 1.00 0.00 C ATOM 1321 CG ASP A 83 7.115 9.852 -16.401 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.063 9.174 -16.354 1.00 0.00 O ATOM 1323 OD2 ASP A 83 7.927 9.744 -17.347 1.00 0.00 O ATOM 0 H ASP A 83 5.962 9.152 -14.231 1.00 0.00 H new ATOM 0 HA ASP A 83 8.637 9.669 -13.957 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.504 11.514 -15.177 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.208 11.517 -15.586 1.00 0.00 H new ATOM 1328 N PRO A 84 9.173 11.763 -12.539 1.00 0.00 N ATOM 1329 CA PRO A 84 9.453 12.974 -11.746 1.00 0.00 C ATOM 1330 C PRO A 84 9.390 14.248 -12.621 1.00 0.00 C ATOM 1331 O PRO A 84 9.417 15.361 -12.094 1.00 0.00 O ATOM 1332 CB PRO A 84 10.885 12.711 -11.225 1.00 0.00 C ATOM 1333 CG PRO A 84 11.533 11.916 -12.321 1.00 0.00 C ATOM 1334 CD PRO A 84 10.434 11.036 -12.888 1.00 0.00 C ATOM 0 HA PRO A 84 8.730 13.148 -10.949 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.419 13.643 -11.039 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.872 12.158 -10.286 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.947 12.570 -13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.357 11.315 -11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.538 10.912 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.455 10.039 -12.449 1.00 0.00 H new ATOM 1342 N LEU A 85 9.285 14.042 -13.960 1.00 0.00 N ATOM 1343 CA LEU A 85 9.355 15.097 -14.977 1.00 0.00 C ATOM 1344 C LEU A 85 10.720 15.798 -14.902 1.00 0.00 C ATOM 1345 O LEU A 85 10.812 17.022 -14.822 1.00 0.00 O ATOM 1346 CB LEU A 85 8.149 16.089 -14.911 1.00 0.00 C ATOM 1347 CG LEU A 85 6.762 15.507 -15.342 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.162 14.557 -14.288 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.802 16.643 -15.691 1.00 0.00 C ATOM 0 H LEU A 85 9.147 13.114 -14.360 1.00 0.00 H new ATOM 0 HA LEU A 85 9.268 14.632 -15.959 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.064 16.460 -13.890 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.374 16.947 -15.544 1.00 0.00 H new ATOM 0 HG LEU A 85 6.922 14.899 -16.233 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.200 14.184 -14.640 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.840 13.719 -14.126 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.021 15.096 -13.351 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.840 16.227 -15.990 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.666 17.285 -14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.215 17.229 -16.512 1.00 0.00 H new ATOM 1361 N LYS A 86 11.774 14.975 -14.908 1.00 0.00 N ATOM 1362 CA LYS A 86 13.160 15.437 -14.828 1.00 0.00 C ATOM 1363 C LYS A 86 13.606 16.035 -16.190 1.00 0.00 C ATOM 1364 O LYS A 86 13.810 15.268 -17.157 1.00 0.00 O ATOM 1365 CB LYS A 86 14.074 14.264 -14.377 1.00 0.00 C ATOM 1366 CG LYS A 86 15.581 14.599 -14.185 1.00 0.00 C ATOM 1367 CD LYS A 86 15.913 15.511 -12.958 1.00 0.00 C ATOM 1368 CE LYS A 86 15.684 17.020 -13.202 1.00 0.00 C ATOM 1369 NZ LYS A 86 16.443 17.521 -14.383 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.730 17.275 -16.289 1.00 0.00 O ATOM 0 H LYS A 86 11.686 13.961 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 86 13.243 16.231 -14.085 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.688 13.872 -13.436 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.992 13.464 -15.113 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.133 13.665 -14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.946 15.087 -15.089 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.303 15.196 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.954 15.355 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.620 17.205 -13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.984 17.579 -12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.820 18.468 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.230 16.873 -14.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.810 17.572 -15.207 1.00 0.00 H new TER 1384 LYS A 86