USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 965 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 18 GLN : amide:sc= -0.229 K(o=0.8,f=1.9) USER MOD Set 1.2: A 97 TYR OH : rot -158:sc= 1.03 USER MOD Set 2.1: A 15 TYR OH : rot 37:sc= -0.239 USER MOD Set 2.2: A 46 SER OG : rot 54:sc= 1.92 USER MOD Set 2.3: A 98 GLN : amide:sc= -0.843 X(o=0.84,f=1) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.114 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 2 MET CE :methyl -139:sc= -0.255 (180deg=-2.78!) USER MOD Single : A 3 ASN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.0578 K(o=-0.058,f=-0.7) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 2.3 (180deg=1.83) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.11 (180deg=0.736) USER MOD Single : A 26 GLN : amide:sc= -4.29! K(o=-4.3!,f=-0.52) USER MOD Single : A 28 SER OG : rot 160:sc= 0.0732 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00647 X(o=-0.0065,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 68:sc= 0.869 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= -0.89 (180deg=-3.12!) USER MOD Single : A 55 TYR OH : rot -123:sc= -0.424 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.285 K(o=-0.29,f=-0.81) USER MOD Single : A 72 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.076) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0378 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0002) USER MOD Single : A 81 SER OG : rot 70:sc= 1.15 USER MOD Single : A 85 SER OG : rot 73:sc= 1.05 USER MOD Single : A 86 HIS : no HE2:sc= -0.84 X(o=-0.84,f=-0.5) USER MOD Single : A 87 TYR OH : rot 180:sc= -2.11! USER MOD Single : A 92 TYR OH : rot -88:sc= -0.0843 USER MOD Single : A 94 TYR OH : rot -136:sc= 1.07 USER MOD Single : A 96 MET CE :methyl -108:sc= -0.965 (180deg=-3.7!) USER MOD Single : A 99 SER OG : rot 139:sc= 0.878 USER MOD Single : A 102 ASN : amide:sc= 1.14 K(o=1.1,f=-0.042) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.522 K(o=-0.52,f=-6.7!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 112 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.5!) USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0247) USER MOD Single : A 117 LYS NZ :NH3+ 166:sc= -0.0292 (180deg=-0.255) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.546 16.574 -3.743 1.00 0.00 N ATOM 2 CA SER A 1 6.124 16.096 -5.020 1.00 0.00 C ATOM 3 C SER A 1 6.185 14.571 -5.047 1.00 0.00 C ATOM 4 O SER A 1 6.008 13.913 -4.019 1.00 0.00 O ATOM 5 CB SER A 1 7.531 16.677 -5.210 1.00 0.00 C ATOM 6 OG SER A 1 8.136 16.195 -6.400 1.00 0.00 O ATOM 0 H1 SER A 1 4.649 17.067 -3.931 1.00 0.00 H new ATOM 0 H2 SER A 1 5.371 15.763 -3.116 1.00 0.00 H new ATOM 0 H3 SER A 1 6.211 17.229 -3.284 1.00 0.00 H new ATOM 0 HA SER A 1 5.483 16.432 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.475 17.765 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.152 16.416 -4.353 1.00 0.00 H new ATOM 0 HG SER A 1 9.030 16.585 -6.493 1.00 0.00 H new ATOM 14 N MET A 2 6.436 14.017 -6.233 1.00 0.00 N ATOM 15 CA MET A 2 6.591 12.573 -6.404 1.00 0.00 C ATOM 16 C MET A 2 8.069 12.195 -6.338 1.00 0.00 C ATOM 17 O MET A 2 8.418 11.015 -6.228 1.00 0.00 O ATOM 18 CB MET A 2 5.981 12.114 -7.736 1.00 0.00 C ATOM 19 CG MET A 2 4.486 12.392 -7.851 1.00 0.00 C ATOM 20 SD MET A 2 3.524 11.595 -6.546 1.00 0.00 S ATOM 21 CE MET A 2 3.836 9.863 -6.895 1.00 0.00 C ATOM 0 H MET A 2 6.537 14.552 -7.096 1.00 0.00 H new ATOM 0 HA MET A 2 6.060 12.069 -5.596 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.499 12.614 -8.555 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.153 11.044 -7.856 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.317 13.468 -7.815 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.130 12.046 -8.821 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.914 9.295 -6.771 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.193 9.757 -7.919 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.591 9.483 -6.207 1.00 0.00 H new ATOM 31 N ASN A 3 8.931 13.215 -6.397 1.00 0.00 N ATOM 32 CA ASN A 3 10.379 13.034 -6.253 1.00 0.00 C ATOM 33 C ASN A 3 10.694 12.241 -4.990 1.00 0.00 C ATOM 34 O ASN A 3 11.638 11.450 -4.949 1.00 0.00 O ATOM 35 CB ASN A 3 11.076 14.402 -6.200 1.00 0.00 C ATOM 36 CG ASN A 3 12.537 14.311 -5.785 1.00 0.00 C ATOM 37 OD1 ASN A 3 13.426 14.137 -6.623 1.00 0.00 O ATOM 38 ND2 ASN A 3 12.795 14.440 -4.489 1.00 0.00 N ATOM 0 H ASN A 3 8.647 14.183 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 3 10.748 12.478 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.012 14.874 -7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.545 15.047 -5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 3 13.757 14.397 -4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.031 14.583 -3.829 1.00 0.00 H new ATOM 45 N GLU A 4 9.869 12.454 -3.971 1.00 0.00 N ATOM 46 CA GLU A 4 10.019 11.785 -2.682 1.00 0.00 C ATOM 47 C GLU A 4 10.072 10.269 -2.884 1.00 0.00 C ATOM 48 O GLU A 4 10.820 9.561 -2.205 1.00 0.00 O ATOM 49 CB GLU A 4 8.851 12.159 -1.754 1.00 0.00 C ATOM 50 CG GLU A 4 8.315 13.578 -1.949 1.00 0.00 C ATOM 51 CD GLU A 4 9.372 14.659 -1.791 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.058 14.984 -2.786 1.00 0.00 O ATOM 53 OE2 GLU A 4 9.502 15.209 -0.680 1.00 0.00 O ATOM 0 H GLU A 4 9.077 13.095 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 4 10.950 12.111 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.037 11.452 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.175 12.046 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.874 13.657 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.515 13.757 -1.230 1.00 0.00 H new ATOM 60 N LEU A 5 9.270 9.781 -3.831 1.00 0.00 N ATOM 61 CA LEU A 5 9.308 8.377 -4.218 1.00 0.00 C ATOM 62 C LEU A 5 10.509 8.143 -5.127 1.00 0.00 C ATOM 63 O LEU A 5 11.293 7.219 -4.913 1.00 0.00 O ATOM 64 CB LEU A 5 8.022 7.961 -4.956 1.00 0.00 C ATOM 65 CG LEU A 5 7.894 6.445 -5.229 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.377 5.712 -3.995 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.005 6.163 -6.440 1.00 0.00 C ATOM 0 H LEU A 5 8.587 10.340 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 5 9.390 7.774 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.162 8.284 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.977 8.492 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 5 8.891 6.069 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.295 4.647 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.069 5.862 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.396 6.103 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.939 5.087 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.008 6.565 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.433 6.636 -7.324 1.00 0.00 H new ATOM 79 N GLU A 6 10.656 9.024 -6.119 1.00 0.00 N ATOM 80 CA GLU A 6 11.683 8.893 -7.161 1.00 0.00 C ATOM 81 C GLU A 6 13.105 9.055 -6.613 1.00 0.00 C ATOM 82 O GLU A 6 14.071 8.932 -7.368 1.00 0.00 O ATOM 83 CB GLU A 6 11.451 9.933 -8.269 1.00 0.00 C ATOM 84 CG GLU A 6 10.097 9.825 -8.962 1.00 0.00 C ATOM 85 CD GLU A 6 9.908 10.892 -10.031 1.00 0.00 C ATOM 86 OE1 GLU A 6 9.404 11.988 -9.706 1.00 0.00 O ATOM 87 OE2 GLU A 6 10.279 10.649 -11.199 1.00 0.00 O ATOM 0 H GLU A 6 10.067 9.850 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 6 11.593 7.883 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.547 10.930 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.237 9.831 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.001 8.839 -9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.304 9.913 -8.220 1.00 0.00 H new ATOM 94 N ALA A 7 13.223 9.356 -5.317 1.00 0.00 N ATOM 95 CA ALA A 7 14.522 9.518 -4.651 1.00 0.00 C ATOM 96 C ALA A 7 15.553 8.485 -5.125 1.00 0.00 C ATOM 97 O ALA A 7 16.713 8.825 -5.382 1.00 0.00 O ATOM 98 CB ALA A 7 14.347 9.441 -3.138 1.00 0.00 C ATOM 0 H ALA A 7 12.423 9.494 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 7 14.908 10.501 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.316 9.562 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.675 10.233 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.925 8.472 -2.869 1.00 0.00 H new ATOM 104 N GLN A 8 15.131 7.226 -5.247 1.00 0.00 N ATOM 105 CA GLN A 8 16.009 6.177 -5.770 1.00 0.00 C ATOM 106 C GLN A 8 15.744 5.981 -7.264 1.00 0.00 C ATOM 107 O GLN A 8 14.589 5.995 -7.702 1.00 0.00 O ATOM 108 CB GLN A 8 15.794 4.864 -5.004 1.00 0.00 C ATOM 109 CG GLN A 8 15.925 5.005 -3.490 1.00 0.00 C ATOM 110 CD GLN A 8 17.258 5.598 -3.062 1.00 0.00 C ATOM 111 OE1 GLN A 8 18.281 5.413 -3.724 1.00 0.00 O ATOM 112 NE2 GLN A 8 17.254 6.318 -1.954 1.00 0.00 N ATOM 0 H GLN A 8 14.195 6.909 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 8 17.047 6.481 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.803 4.475 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.517 4.127 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.117 5.635 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.804 4.025 -3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.386 6.448 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.118 6.744 -1.619 1.00 0.00 H new ATOM 121 N THR A 9 16.802 5.753 -8.037 1.00 0.00 N ATOM 122 CA THR A 9 16.708 5.796 -9.495 1.00 0.00 C ATOM 123 C THR A 9 16.522 4.409 -10.116 1.00 0.00 C ATOM 124 O THR A 9 17.012 3.407 -9.597 1.00 0.00 O ATOM 125 CB THR A 9 17.966 6.464 -10.098 1.00 0.00 C ATOM 126 OG1 THR A 9 18.332 7.605 -9.311 1.00 0.00 O ATOM 127 CG2 THR A 9 17.727 6.903 -11.541 1.00 0.00 C ATOM 0 H THR A 9 17.733 5.537 -7.680 1.00 0.00 H new ATOM 0 HA THR A 9 15.822 6.386 -9.732 1.00 0.00 H new ATOM 0 HB THR A 9 18.771 5.730 -10.091 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.130 8.025 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.631 7.368 -11.934 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.473 6.034 -12.148 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.907 7.620 -11.572 1.00 0.00 H new ATOM 135 N ARG A 10 15.768 4.384 -11.221 1.00 0.00 N ATOM 136 CA ARG A 10 15.513 3.179 -12.031 1.00 0.00 C ATOM 137 C ARG A 10 14.814 2.070 -11.235 1.00 0.00 C ATOM 138 O ARG A 10 14.587 0.976 -11.756 1.00 0.00 O ATOM 139 CB ARG A 10 16.831 2.631 -12.612 1.00 0.00 C ATOM 140 CG ARG A 10 17.627 3.637 -13.440 1.00 0.00 C ATOM 141 CD ARG A 10 16.885 4.068 -14.701 1.00 0.00 C ATOM 142 NE ARG A 10 16.581 2.938 -15.585 1.00 0.00 N ATOM 143 CZ ARG A 10 17.446 2.404 -16.453 1.00 0.00 C ATOM 144 NH1 ARG A 10 18.707 2.819 -16.494 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.058 1.431 -17.266 1.00 0.00 N ATOM 0 H ARG A 10 15.307 5.216 -11.588 1.00 0.00 H new ATOM 0 HA ARG A 10 14.846 3.484 -12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.456 2.280 -11.791 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.606 1.765 -13.234 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.843 4.515 -12.831 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.585 3.198 -13.718 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.957 4.566 -14.421 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.488 4.797 -15.242 1.00 0.00 H new ATOM 0 HE ARG A 10 15.647 2.532 -15.534 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.024 3.552 -15.859 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.359 2.405 -17.160 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.098 1.089 -17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.720 1.025 -17.928 1.00 0.00 H new ATOM 159 N VAL A 11 14.462 2.351 -9.987 1.00 0.00 N ATOM 160 CA VAL A 11 13.666 1.431 -9.184 1.00 0.00 C ATOM 161 C VAL A 11 12.291 2.028 -8.907 1.00 0.00 C ATOM 162 O VAL A 11 11.260 1.432 -9.222 1.00 0.00 O ATOM 163 CB VAL A 11 14.383 1.044 -7.859 1.00 0.00 C ATOM 164 CG1 VAL A 11 14.858 2.279 -7.099 1.00 0.00 C ATOM 165 CG2 VAL A 11 13.477 0.179 -6.979 1.00 0.00 C ATOM 0 H VAL A 11 14.717 3.214 -9.506 1.00 0.00 H new ATOM 0 HA VAL A 11 13.541 0.512 -9.757 1.00 0.00 H new ATOM 0 HB VAL A 11 15.264 0.458 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.354 1.971 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.558 2.841 -7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.002 2.909 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.002 -0.078 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.569 0.732 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.214 -0.734 -7.514 1.00 0.00 H new ATOM 175 N LYS A 12 12.286 3.240 -8.358 1.00 0.00 N ATOM 176 CA LYS A 12 11.048 3.883 -7.938 1.00 0.00 C ATOM 177 C LYS A 12 10.317 4.466 -9.145 1.00 0.00 C ATOM 178 O LYS A 12 9.101 4.630 -9.123 1.00 0.00 O ATOM 179 CB LYS A 12 11.349 4.989 -6.915 1.00 0.00 C ATOM 180 CG LYS A 12 12.279 4.555 -5.777 1.00 0.00 C ATOM 181 CD LYS A 12 11.667 3.477 -4.882 1.00 0.00 C ATOM 182 CE LYS A 12 10.507 4.005 -4.039 1.00 0.00 C ATOM 183 NZ LYS A 12 10.931 5.076 -3.096 1.00 0.00 N ATOM 0 H LYS A 12 13.126 3.795 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 12 10.407 3.136 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.798 5.836 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.409 5.339 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.212 4.182 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.530 5.424 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.316 2.652 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.437 3.076 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.730 4.392 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.067 3.182 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.162 5.270 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.776 4.766 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.151 5.941 -3.630 1.00 0.00 H new ATOM 197 N LEU A 13 11.076 4.759 -10.202 1.00 0.00 N ATOM 198 CA LEU A 13 10.519 5.359 -11.414 1.00 0.00 C ATOM 199 C LEU A 13 9.697 4.331 -12.188 1.00 0.00 C ATOM 200 O LEU A 13 8.570 4.608 -12.599 1.00 0.00 O ATOM 201 CB LEU A 13 11.638 5.933 -12.304 1.00 0.00 C ATOM 202 CG LEU A 13 12.370 7.174 -11.746 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.131 6.850 -10.462 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.315 7.752 -12.794 1.00 0.00 C ATOM 0 H LEU A 13 12.081 4.590 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 13 9.863 6.178 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.374 5.149 -12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.210 6.192 -13.272 1.00 0.00 H new ATOM 0 HG LEU A 13 11.614 7.921 -11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.633 7.747 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.432 6.495 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.872 6.076 -10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.822 8.625 -12.384 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.054 7.000 -13.072 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.745 8.044 -13.676 1.00 0.00 H new ATOM 216 N ASN A 14 10.266 3.141 -12.375 1.00 0.00 N ATOM 217 CA ASN A 14 9.555 2.042 -13.031 1.00 0.00 C ATOM 218 C ASN A 14 8.325 1.661 -12.214 1.00 0.00 C ATOM 219 O ASN A 14 7.228 1.478 -12.754 1.00 0.00 O ATOM 220 CB ASN A 14 10.478 0.827 -13.201 1.00 0.00 C ATOM 221 CG ASN A 14 9.755 -0.385 -13.770 1.00 0.00 C ATOM 222 OD1 ASN A 14 9.261 -1.238 -13.029 1.00 0.00 O ATOM 223 ND2 ASN A 14 9.690 -0.473 -15.089 1.00 0.00 N ATOM 0 H ASN A 14 11.216 2.912 -12.082 1.00 0.00 H new ATOM 0 HA ASN A 14 9.237 2.371 -14.020 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.305 1.094 -13.859 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.910 0.566 -12.235 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.219 -1.266 -15.525 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.111 0.252 -15.670 1.00 0.00 H new ATOM 230 N TYR A 15 8.521 1.558 -10.902 1.00 0.00 N ATOM 231 CA TYR A 15 7.429 1.284 -9.979 1.00 0.00 C ATOM 232 C TYR A 15 6.343 2.342 -10.123 1.00 0.00 C ATOM 233 O TYR A 15 5.160 2.024 -10.102 1.00 0.00 O ATOM 234 CB TYR A 15 7.945 1.252 -8.537 1.00 0.00 C ATOM 235 CG TYR A 15 6.870 0.967 -7.501 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.440 -0.333 -7.256 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.293 1.996 -6.759 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.467 -0.599 -6.310 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.322 1.737 -5.813 1.00 0.00 C ATOM 240 CZ TYR A 15 4.913 0.438 -5.593 1.00 0.00 C ATOM 241 OH TYR A 15 3.945 0.180 -4.651 1.00 0.00 O ATOM 0 H TYR A 15 9.432 1.661 -10.455 1.00 0.00 H new ATOM 0 HA TYR A 15 7.006 0.309 -10.220 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.722 0.492 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.411 2.210 -8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.874 -1.149 -7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.611 3.014 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.143 -1.614 -6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.885 2.547 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 15 4.150 -0.662 -4.193 1.00 0.00 H new ATOM 251 N LEU A 16 6.760 3.599 -10.276 1.00 0.00 N ATOM 252 CA LEU A 16 5.826 4.712 -10.440 1.00 0.00 C ATOM 253 C LEU A 16 5.011 4.534 -11.719 1.00 0.00 C ATOM 254 O LEU A 16 3.789 4.671 -11.711 1.00 0.00 O ATOM 255 CB LEU A 16 6.579 6.051 -10.465 1.00 0.00 C ATOM 256 CG LEU A 16 5.697 7.306 -10.599 1.00 0.00 C ATOM 257 CD1 LEU A 16 4.681 7.383 -9.460 1.00 0.00 C ATOM 258 CD2 LEU A 16 6.560 8.567 -10.640 1.00 0.00 C ATOM 0 H LEU A 16 7.743 3.872 -10.290 1.00 0.00 H new ATOM 0 HA LEU A 16 5.144 4.719 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.164 6.136 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.286 6.035 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 16 5.147 7.236 -11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.070 8.278 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.041 6.501 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.206 7.425 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.919 9.444 -10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.141 8.640 -9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.236 8.518 -11.494 1.00 0.00 H new ATOM 270 N ASP A 17 5.702 4.205 -12.809 1.00 0.00 N ATOM 271 CA ASP A 17 5.057 3.961 -14.101 1.00 0.00 C ATOM 272 C ASP A 17 3.949 2.917 -13.961 1.00 0.00 C ATOM 273 O ASP A 17 2.817 3.125 -14.409 1.00 0.00 O ATOM 274 CB ASP A 17 6.099 3.493 -15.130 1.00 0.00 C ATOM 275 CG ASP A 17 5.481 3.083 -16.462 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.017 3.968 -17.208 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.477 1.873 -16.780 1.00 0.00 O ATOM 0 H ASP A 17 6.717 4.100 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 17 4.610 4.893 -14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.818 4.295 -15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.654 2.650 -14.719 1.00 0.00 H new ATOM 282 N GLN A 18 4.280 1.803 -13.322 1.00 0.00 N ATOM 283 CA GLN A 18 3.321 0.722 -13.100 1.00 0.00 C ATOM 284 C GLN A 18 2.195 1.170 -12.160 1.00 0.00 C ATOM 285 O GLN A 18 1.009 1.124 -12.514 1.00 0.00 O ATOM 286 CB GLN A 18 4.040 -0.496 -12.504 1.00 0.00 C ATOM 287 CG GLN A 18 3.130 -1.695 -12.250 1.00 0.00 C ATOM 288 CD GLN A 18 3.836 -2.834 -11.530 1.00 0.00 C ATOM 289 OE1 GLN A 18 3.520 -4.005 -11.741 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.775 -2.500 -10.655 1.00 0.00 N ATOM 0 H GLN A 18 5.210 1.621 -12.945 1.00 0.00 H new ATOM 0 HA GLN A 18 2.880 0.453 -14.060 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.841 -0.798 -13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.509 -0.204 -11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.272 -1.375 -11.658 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.743 -2.059 -13.202 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.009 -1.518 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.263 -3.225 -10.129 1.00 0.00 H new ATOM 299 N ILE A 19 2.598 1.638 -10.979 1.00 0.00 N ATOM 300 CA ILE A 19 1.678 1.952 -9.884 1.00 0.00 C ATOM 301 C ILE A 19 0.784 3.145 -10.234 1.00 0.00 C ATOM 302 O ILE A 19 -0.224 3.397 -9.569 1.00 0.00 O ATOM 303 CB ILE A 19 2.464 2.255 -8.573 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.587 2.030 -7.329 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.023 3.677 -8.579 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.365 0.569 -6.996 1.00 0.00 C ATOM 0 H ILE A 19 3.577 1.811 -10.753 1.00 0.00 H new ATOM 0 HA ILE A 19 1.046 1.078 -9.728 1.00 0.00 H new ATOM 0 HB ILE A 19 3.301 1.558 -8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.052 2.522 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.620 2.509 -7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.566 3.858 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.699 3.799 -9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.203 4.390 -8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.738 0.489 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.872 0.076 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.325 0.089 -6.807 1.00 0.00 H new ATOM 318 N ALA A 20 1.168 3.893 -11.260 1.00 0.00 N ATOM 319 CA ALA A 20 0.355 5.001 -11.740 1.00 0.00 C ATOM 320 C ALA A 20 -0.560 4.547 -12.870 1.00 0.00 C ATOM 321 O ALA A 20 -1.758 4.806 -12.847 1.00 0.00 O ATOM 322 CB ALA A 20 1.239 6.156 -12.201 1.00 0.00 C ATOM 0 H ALA A 20 2.037 3.752 -11.775 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.266 5.350 -10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.613 6.974 -12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.850 6.502 -11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.887 5.818 -13.010 1.00 0.00 H new ATOM 328 N LYS A 21 0.013 3.839 -13.843 1.00 0.00 N ATOM 329 CA LYS A 21 -0.701 3.498 -15.075 1.00 0.00 C ATOM 330 C LYS A 21 -1.857 2.523 -14.814 1.00 0.00 C ATOM 331 O LYS A 21 -2.966 2.729 -15.313 1.00 0.00 O ATOM 332 CB LYS A 21 0.276 2.913 -16.114 1.00 0.00 C ATOM 333 CG LYS A 21 0.041 3.402 -17.546 1.00 0.00 C ATOM 334 CD LYS A 21 -1.321 2.982 -18.093 1.00 0.00 C ATOM 335 CE LYS A 21 -1.592 3.583 -19.468 1.00 0.00 C ATOM 336 NZ LYS A 21 -1.650 5.070 -19.428 1.00 0.00 N ATOM 0 H LYS A 21 0.970 3.490 -13.803 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.134 4.417 -15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.295 3.165 -15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.198 1.826 -16.097 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.120 4.489 -17.573 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.825 3.010 -18.193 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.367 1.895 -18.157 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.102 3.294 -17.400 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.811 3.270 -20.160 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.534 3.194 -19.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.111 5.423 -20.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.195 5.374 -18.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.685 5.454 -19.369 1.00 0.00 H new ATOM 350 N PHE A 22 -1.606 1.469 -14.036 1.00 0.00 N ATOM 351 CA PHE A 22 -2.647 0.476 -13.747 1.00 0.00 C ATOM 352 C PHE A 22 -3.848 1.141 -13.074 1.00 0.00 C ATOM 353 O PHE A 22 -4.981 1.055 -13.555 1.00 0.00 O ATOM 354 CB PHE A 22 -2.094 -0.651 -12.857 1.00 0.00 C ATOM 355 CG PHE A 22 -3.158 -1.577 -12.299 1.00 0.00 C ATOM 356 CD1 PHE A 22 -3.687 -2.606 -13.065 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.624 -1.412 -11.002 1.00 0.00 C ATOM 358 CE1 PHE A 22 -4.658 -3.446 -12.545 1.00 0.00 C ATOM 359 CE2 PHE A 22 -4.589 -2.246 -10.477 1.00 0.00 C ATOM 360 CZ PHE A 22 -5.108 -3.266 -11.250 1.00 0.00 C ATOM 0 H PHE A 22 -0.704 1.280 -13.599 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.973 0.040 -14.691 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.382 -1.240 -13.435 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.542 -0.207 -12.028 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.338 -2.753 -14.076 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.223 -0.616 -10.392 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.064 -4.242 -13.152 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.938 -2.102 -9.465 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.864 -3.922 -10.844 1.00 0.00 H new ATOM 370 N TRP A 23 -3.575 1.815 -11.967 1.00 0.00 N ATOM 371 CA TRP A 23 -4.603 2.498 -11.190 1.00 0.00 C ATOM 372 C TRP A 23 -5.277 3.595 -12.013 1.00 0.00 C ATOM 373 O TRP A 23 -6.478 3.844 -11.874 1.00 0.00 O ATOM 374 CB TRP A 23 -3.973 3.077 -9.919 1.00 0.00 C ATOM 375 CG TRP A 23 -4.927 3.819 -9.035 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.722 5.039 -8.475 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.228 3.392 -8.608 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.814 5.408 -7.733 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.751 4.412 -7.796 1.00 0.00 C ATOM 380 CE3 TRP A 23 -7.000 2.251 -8.838 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.010 4.322 -7.209 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.249 2.166 -8.260 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.744 3.196 -7.453 1.00 0.00 C ATOM 0 H TRP A 23 -2.635 1.905 -11.581 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.375 1.780 -10.913 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.526 2.264 -9.348 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.164 3.749 -10.204 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.828 5.633 -8.597 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.912 6.283 -7.218 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.625 1.450 -9.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.393 5.114 -6.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.855 1.289 -8.433 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.726 3.099 -7.014 1.00 0.00 H new ATOM 394 N GLU A 24 -4.501 4.234 -12.880 1.00 0.00 N ATOM 395 CA GLU A 24 -5.021 5.270 -13.760 1.00 0.00 C ATOM 396 C GLU A 24 -6.139 4.705 -14.640 1.00 0.00 C ATOM 397 O GLU A 24 -7.273 5.199 -14.634 1.00 0.00 O ATOM 398 CB GLU A 24 -3.885 5.819 -14.634 1.00 0.00 C ATOM 399 CG GLU A 24 -4.312 6.877 -15.642 1.00 0.00 C ATOM 400 CD GLU A 24 -3.163 7.308 -16.539 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.945 6.667 -17.591 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.454 8.275 -16.190 1.00 0.00 O ATOM 0 H GLU A 24 -3.504 4.050 -12.992 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.432 6.079 -13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.118 6.243 -13.985 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.425 4.990 -15.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.124 6.486 -16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.703 7.745 -15.112 1.00 0.00 H new ATOM 409 N ILE A 25 -5.817 3.639 -15.366 1.00 0.00 N ATOM 410 CA ILE A 25 -6.752 3.032 -16.310 1.00 0.00 C ATOM 411 C ILE A 25 -7.859 2.275 -15.575 1.00 0.00 C ATOM 412 O ILE A 25 -8.887 1.933 -16.162 1.00 0.00 O ATOM 413 CB ILE A 25 -6.015 2.088 -17.300 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.869 2.842 -17.995 1.00 0.00 C ATOM 415 CG2 ILE A 25 -6.978 1.504 -18.337 1.00 0.00 C ATOM 416 CD1 ILE A 25 -5.307 4.092 -18.737 1.00 0.00 C ATOM 0 H ILE A 25 -4.910 3.175 -15.319 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.210 3.837 -16.884 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.600 1.257 -16.729 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.125 3.118 -17.248 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.379 2.168 -18.698 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.430 0.848 -19.014 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.756 0.934 -17.830 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.434 2.314 -18.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.440 4.564 -19.198 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.027 3.823 -19.509 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.769 4.788 -18.037 1.00 0.00 H new ATOM 428 N GLN A 26 -7.660 2.039 -14.279 1.00 0.00 N ATOM 429 CA GLN A 26 -8.690 1.420 -13.444 1.00 0.00 C ATOM 430 C GLN A 26 -9.894 2.364 -13.300 1.00 0.00 C ATOM 431 O GLN A 26 -10.936 1.991 -12.755 1.00 0.00 O ATOM 432 CB GLN A 26 -8.108 1.053 -12.067 1.00 0.00 C ATOM 433 CG GLN A 26 -9.006 0.159 -11.204 1.00 0.00 C ATOM 434 CD GLN A 26 -9.030 -1.311 -11.628 1.00 0.00 C ATOM 435 OE1 GLN A 26 -9.191 -2.201 -10.790 1.00 0.00 O ATOM 436 NE2 GLN A 26 -8.881 -1.589 -12.919 1.00 0.00 N ATOM 0 H GLN A 26 -6.797 2.266 -13.785 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.033 0.503 -13.923 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.153 0.549 -12.215 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.902 1.972 -11.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.671 0.220 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.023 0.550 -11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.749 -0.833 -13.591 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.898 -2.558 -13.237 1.00 0.00 H new ATOM 445 N GLY A 27 -9.739 3.586 -13.811 1.00 0.00 N ATOM 446 CA GLY A 27 -10.810 4.567 -13.780 1.00 0.00 C ATOM 447 C GLY A 27 -10.613 5.570 -12.669 1.00 0.00 C ATOM 448 O GLY A 27 -11.579 6.092 -12.108 1.00 0.00 O ATOM 0 H GLY A 27 -8.879 3.915 -14.250 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.855 5.087 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.765 4.059 -13.647 1.00 0.00 H new ATOM 452 N SER A 28 -9.354 5.814 -12.324 1.00 0.00 N ATOM 453 CA SER A 28 -9.007 6.739 -11.251 1.00 0.00 C ATOM 454 C SER A 28 -7.650 7.391 -11.525 1.00 0.00 C ATOM 455 O SER A 28 -7.100 7.258 -12.621 1.00 0.00 O ATOM 456 CB SER A 28 -8.994 5.996 -9.907 1.00 0.00 C ATOM 457 OG SER A 28 -10.285 5.500 -9.581 1.00 0.00 O ATOM 0 H SER A 28 -8.550 5.380 -12.777 1.00 0.00 H new ATOM 0 HA SER A 28 -9.757 7.529 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.285 5.169 -9.952 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.650 6.668 -9.120 1.00 0.00 H new ATOM 0 HG SER A 28 -10.203 4.787 -8.914 1.00 0.00 H new ATOM 463 N SER A 29 -7.134 8.122 -10.545 1.00 0.00 N ATOM 464 CA SER A 29 -5.804 8.711 -10.630 1.00 0.00 C ATOM 465 C SER A 29 -5.041 8.456 -9.331 1.00 0.00 C ATOM 466 O SER A 29 -5.645 8.333 -8.260 1.00 0.00 O ATOM 467 CB SER A 29 -5.905 10.212 -10.926 1.00 0.00 C ATOM 468 OG SER A 29 -6.836 10.850 -10.063 1.00 0.00 O ATOM 0 H SER A 29 -7.623 8.323 -9.673 1.00 0.00 H new ATOM 0 HA SER A 29 -5.256 8.244 -11.448 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.924 10.674 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.207 10.360 -11.963 1.00 0.00 H new ATOM 0 HG SER A 29 -6.877 11.806 -10.275 1.00 0.00 H new ATOM 474 N LEU A 30 -3.719 8.357 -9.430 1.00 0.00 N ATOM 475 CA LEU A 30 -2.885 8.039 -8.276 1.00 0.00 C ATOM 476 C LEU A 30 -2.637 9.282 -7.428 1.00 0.00 C ATOM 477 O LEU A 30 -1.988 10.230 -7.872 1.00 0.00 O ATOM 478 CB LEU A 30 -1.551 7.435 -8.734 1.00 0.00 C ATOM 479 CG LEU A 30 -0.609 6.984 -7.601 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.252 5.880 -6.761 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.728 6.520 -8.169 1.00 0.00 C ATOM 0 H LEU A 30 -3.202 8.493 -10.299 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.412 7.307 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.760 6.577 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.029 8.170 -9.347 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.428 7.839 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.566 5.580 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.177 6.251 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.472 5.021 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.380 6.205 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.564 5.682 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.197 7.340 -8.713 1.00 0.00 H new ATOM 493 N LYS A 31 -3.176 9.279 -6.212 1.00 0.00 N ATOM 494 CA LYS A 31 -2.956 10.361 -5.260 1.00 0.00 C ATOM 495 C LYS A 31 -2.487 9.796 -3.922 1.00 0.00 C ATOM 496 O LYS A 31 -3.301 9.426 -3.073 1.00 0.00 O ATOM 497 CB LYS A 31 -4.234 11.197 -5.060 1.00 0.00 C ATOM 498 CG LYS A 31 -4.706 11.930 -6.315 1.00 0.00 C ATOM 499 CD LYS A 31 -5.906 12.828 -6.021 1.00 0.00 C ATOM 500 CE LYS A 31 -6.360 13.599 -7.257 1.00 0.00 C ATOM 501 NZ LYS A 31 -7.481 14.529 -6.949 1.00 0.00 N ATOM 0 H LYS A 31 -3.774 8.531 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.184 11.014 -5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.033 10.541 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.057 11.928 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.890 12.531 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.973 11.204 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.731 12.220 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.647 13.532 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.520 14.164 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.673 12.896 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.761 15.034 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.292 13.988 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.175 15.216 -6.231 1.00 0.00 H new ATOM 515 N ILE A 32 -1.173 9.689 -3.758 1.00 0.00 N ATOM 516 CA ILE A 32 -0.587 9.248 -2.497 1.00 0.00 C ATOM 517 C ILE A 32 -0.080 10.458 -1.704 1.00 0.00 C ATOM 518 O ILE A 32 0.923 11.080 -2.071 1.00 0.00 O ATOM 519 CB ILE A 32 0.556 8.213 -2.712 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.590 8.725 -3.732 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.022 6.868 -3.157 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.723 7.752 -3.997 1.00 0.00 C ATOM 0 H ILE A 32 -0.491 9.903 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.368 8.746 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 32 1.070 8.075 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.083 8.942 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.008 9.665 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.789 6.154 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.702 6.493 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.565 6.997 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.410 8.183 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.257 7.553 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.317 6.819 -4.389 1.00 0.00 H new ATOM 534 N PRO A 33 -0.802 10.835 -0.629 1.00 0.00 N ATOM 535 CA PRO A 33 -0.463 12.002 0.199 1.00 0.00 C ATOM 536 C PRO A 33 0.799 11.789 1.035 1.00 0.00 C ATOM 537 O PRO A 33 1.498 10.779 0.896 1.00 0.00 O ATOM 538 CB PRO A 33 -1.696 12.173 1.118 1.00 0.00 C ATOM 539 CG PRO A 33 -2.752 11.294 0.531 1.00 0.00 C ATOM 540 CD PRO A 33 -2.016 10.168 -0.136 1.00 0.00 C ATOM 0 HA PRO A 33 -0.248 12.876 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.466 11.881 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.022 13.213 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.424 10.920 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.364 11.842 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.783 9.364 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.596 9.727 -0.947 1.00 0.00 H new ATOM 548 N ASN A 34 1.073 12.746 1.913 1.00 0.00 N ATOM 549 CA ASN A 34 2.215 12.677 2.814 1.00 0.00 C ATOM 550 C ASN A 34 1.809 13.092 4.209 1.00 0.00 C ATOM 551 O ASN A 34 0.934 13.940 4.391 1.00 0.00 O ATOM 552 CB ASN A 34 3.375 13.555 2.314 1.00 0.00 C ATOM 553 CG ASN A 34 2.964 14.990 2.023 1.00 0.00 C ATOM 554 OD1 ASN A 34 2.602 15.327 0.892 1.00 0.00 O ATOM 555 ND2 ASN A 34 3.014 15.845 3.033 1.00 0.00 N ATOM 0 H ASN A 34 0.510 13.590 2.020 1.00 0.00 H new ATOM 0 HA ASN A 34 2.561 11.644 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.168 13.557 3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.791 13.113 1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.748 16.819 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.318 15.529 3.954 1.00 0.00 H new ATOM 562 N VAL A 35 2.441 12.471 5.188 1.00 0.00 N ATOM 563 CA VAL A 35 2.197 12.771 6.585 1.00 0.00 C ATOM 564 C VAL A 35 3.526 12.785 7.332 1.00 0.00 C ATOM 565 O VAL A 35 4.429 12.016 7.002 1.00 0.00 O ATOM 566 CB VAL A 35 1.225 11.745 7.236 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.815 10.336 7.228 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.846 12.174 8.650 1.00 0.00 C ATOM 0 H VAL A 35 3.139 11.743 5.035 1.00 0.00 H new ATOM 0 HA VAL A 35 1.722 13.750 6.648 1.00 0.00 H new ATOM 0 HB VAL A 35 0.316 11.723 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.111 9.644 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.006 10.027 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.750 10.330 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.166 11.440 9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.745 12.242 9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.356 13.147 8.616 1.00 0.00 H new ATOM 578 N GLU A 36 3.658 13.685 8.308 1.00 0.00 N ATOM 579 CA GLU A 36 4.892 13.811 9.087 1.00 0.00 C ATOM 580 C GLU A 36 6.068 14.213 8.191 1.00 0.00 C ATOM 581 O GLU A 36 7.230 13.992 8.533 1.00 0.00 O ATOM 582 CB GLU A 36 5.204 12.509 9.832 1.00 0.00 C ATOM 583 CG GLU A 36 4.091 12.056 10.771 1.00 0.00 C ATOM 584 CD GLU A 36 3.653 13.145 11.743 1.00 0.00 C ATOM 585 OE1 GLU A 36 4.468 13.546 12.596 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.493 13.611 11.652 1.00 0.00 O ATOM 0 H GLU A 36 2.924 14.339 8.579 1.00 0.00 H new ATOM 0 HA GLU A 36 4.741 14.599 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.395 11.721 9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.121 12.641 10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.232 11.737 10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.430 11.188 11.336 1.00 0.00 H new ATOM 593 N ARG A 37 5.733 14.805 7.044 1.00 0.00 N ATOM 594 CA ARG A 37 6.709 15.246 6.035 1.00 0.00 C ATOM 595 C ARG A 37 7.254 14.055 5.244 1.00 0.00 C ATOM 596 O ARG A 37 8.174 14.200 4.432 1.00 0.00 O ATOM 597 CB ARG A 37 7.871 16.066 6.649 1.00 0.00 C ATOM 598 CG ARG A 37 7.489 17.473 7.123 1.00 0.00 C ATOM 599 CD ARG A 37 6.592 17.458 8.358 1.00 0.00 C ATOM 600 NE ARG A 37 6.259 18.809 8.813 1.00 0.00 N ATOM 601 CZ ARG A 37 5.657 19.083 9.972 1.00 0.00 C ATOM 602 NH1 ARG A 37 5.334 18.108 10.809 1.00 0.00 N ATOM 603 NH2 ARG A 37 5.385 20.338 10.301 1.00 0.00 N ATOM 0 H ARG A 37 4.766 14.996 6.782 1.00 0.00 H new ATOM 0 HA ARG A 37 6.175 15.908 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.280 15.512 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.667 16.151 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.396 18.035 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.979 17.997 6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.674 16.915 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.092 16.918 9.162 1.00 0.00 H new ATOM 0 HE ARG A 37 6.503 19.591 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.545 17.139 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.874 18.326 11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.636 21.097 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.925 20.545 11.188 1.00 0.00 H new ATOM 617 N ARG A 38 6.671 12.884 5.467 1.00 0.00 N ATOM 618 CA ARG A 38 7.051 11.678 4.744 1.00 0.00 C ATOM 619 C ARG A 38 5.934 11.269 3.787 1.00 0.00 C ATOM 620 O ARG A 38 4.776 11.140 4.190 1.00 0.00 O ATOM 621 CB ARG A 38 7.362 10.539 5.726 1.00 0.00 C ATOM 622 CG ARG A 38 7.739 9.223 5.047 1.00 0.00 C ATOM 623 CD ARG A 38 9.010 9.352 4.216 1.00 0.00 C ATOM 624 NE ARG A 38 10.184 9.639 5.042 1.00 0.00 N ATOM 625 CZ ARG A 38 11.253 10.315 4.618 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.260 10.868 3.409 1.00 0.00 N ATOM 627 NH2 ARG A 38 12.301 10.465 5.415 1.00 0.00 N ATOM 0 H ARG A 38 5.926 12.744 6.150 1.00 0.00 H new ATOM 0 HA ARG A 38 7.951 11.885 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.179 10.847 6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.492 10.373 6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.878 8.451 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.919 8.898 4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.175 8.428 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.882 10.146 3.481 1.00 0.00 H new ATOM 0 HE ARG A 38 10.185 9.300 6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.446 10.776 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.080 11.384 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.290 10.064 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.118 10.982 5.091 1.00 0.00 H new ATOM 641 N ILE A 39 6.283 11.095 2.516 1.00 0.00 N ATOM 642 CA ILE A 39 5.322 10.674 1.503 1.00 0.00 C ATOM 643 C ILE A 39 4.884 9.234 1.752 1.00 0.00 C ATOM 644 O ILE A 39 5.644 8.435 2.307 1.00 0.00 O ATOM 645 CB ILE A 39 5.916 10.783 0.075 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.828 10.542 -0.993 1.00 0.00 C ATOM 647 CG2 ILE A 39 7.075 9.797 -0.100 1.00 0.00 C ATOM 648 CD1 ILE A 39 5.322 10.677 -2.420 1.00 0.00 C ATOM 0 H ILE A 39 7.229 11.240 2.162 1.00 0.00 H new ATOM 0 HA ILE A 39 4.462 11.340 1.575 1.00 0.00 H new ATOM 0 HB ILE A 39 6.301 11.794 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.414 9.543 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.014 11.249 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.480 9.887 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.856 10.021 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.715 8.780 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.498 10.493 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.709 11.684 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.115 9.951 -2.601 1.00 0.00 H new ATOM 660 N LEU A 40 3.663 8.908 1.353 1.00 0.00 N ATOM 661 CA LEU A 40 3.183 7.540 1.444 1.00 0.00 C ATOM 662 C LEU A 40 3.922 6.678 0.423 1.00 0.00 C ATOM 663 O LEU A 40 3.503 6.561 -0.733 1.00 0.00 O ATOM 664 CB LEU A 40 1.667 7.476 1.212 1.00 0.00 C ATOM 665 CG LEU A 40 1.036 6.081 1.369 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.225 5.561 2.793 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.446 6.109 0.995 1.00 0.00 C ATOM 0 H LEU A 40 2.991 9.570 0.965 1.00 0.00 H new ATOM 0 HA LEU A 40 3.380 7.159 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.180 8.157 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.454 7.842 0.208 1.00 0.00 H new ATOM 0 HG LEU A 40 1.544 5.400 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.772 4.574 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.290 5.493 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.749 6.244 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.870 5.112 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.972 6.807 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.554 6.428 -0.042 1.00 0.00 H new ATOM 679 N ASP A 41 5.046 6.109 0.847 1.00 0.00 N ATOM 680 CA ASP A 41 5.866 5.277 -0.028 1.00 0.00 C ATOM 681 C ASP A 41 5.204 3.915 -0.210 1.00 0.00 C ATOM 682 O ASP A 41 5.397 2.995 0.593 1.00 0.00 O ATOM 683 CB ASP A 41 7.291 5.125 0.529 1.00 0.00 C ATOM 684 CG ASP A 41 8.236 4.444 -0.456 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.304 3.199 -0.458 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.914 5.154 -1.232 1.00 0.00 O ATOM 0 H ASP A 41 5.411 6.209 1.794 1.00 0.00 H new ATOM 0 HA ASP A 41 5.946 5.764 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.685 6.109 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.256 4.547 1.453 1.00 0.00 H new ATOM 691 N LEU A 42 4.392 3.816 -1.255 1.00 0.00 N ATOM 692 CA LEU A 42 3.608 2.615 -1.536 1.00 0.00 C ATOM 693 C LEU A 42 4.519 1.393 -1.697 1.00 0.00 C ATOM 694 O LEU A 42 4.103 0.265 -1.438 1.00 0.00 O ATOM 695 CB LEU A 42 2.751 2.841 -2.800 1.00 0.00 C ATOM 696 CG LEU A 42 1.341 2.210 -2.786 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.513 2.709 -3.969 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.411 0.683 -2.795 1.00 0.00 C ATOM 0 H LEU A 42 4.257 4.566 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 42 2.945 2.418 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.645 3.915 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.295 2.447 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 42 0.853 2.519 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.476 2.252 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.414 3.793 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.010 2.439 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.401 0.272 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.930 0.348 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.952 0.338 -1.914 1.00 0.00 H new ATOM 710 N TYR A 43 5.767 1.631 -2.097 1.00 0.00 N ATOM 711 CA TYR A 43 6.740 0.554 -2.305 1.00 0.00 C ATOM 712 C TYR A 43 7.000 -0.180 -0.985 1.00 0.00 C ATOM 713 O TYR A 43 6.922 -1.413 -0.910 1.00 0.00 O ATOM 714 CB TYR A 43 8.056 1.131 -2.861 1.00 0.00 C ATOM 715 CG TYR A 43 8.726 0.273 -3.924 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.791 -1.113 -3.814 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.291 0.865 -5.047 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.400 -1.878 -4.794 1.00 0.00 C ATOM 719 CE2 TYR A 43 9.899 0.109 -6.028 1.00 0.00 C ATOM 720 CZ TYR A 43 9.954 -1.263 -5.899 1.00 0.00 C ATOM 721 OH TYR A 43 10.556 -2.024 -6.880 1.00 0.00 O ATOM 0 H TYR A 43 6.132 2.565 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 43 6.335 -0.155 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.856 2.117 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.753 1.272 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.360 -1.599 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.253 1.939 -5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.442 -2.953 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.330 0.590 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 43 10.894 -1.437 -7.588 1.00 0.00 H new ATOM 731 N SER A 44 7.293 0.594 0.055 1.00 0.00 N ATOM 732 CA SER A 44 7.519 0.045 1.386 1.00 0.00 C ATOM 733 C SER A 44 6.251 -0.642 1.886 1.00 0.00 C ATOM 734 O SER A 44 6.303 -1.716 2.486 1.00 0.00 O ATOM 735 CB SER A 44 7.949 1.155 2.355 1.00 0.00 C ATOM 736 OG SER A 44 9.126 1.803 1.896 1.00 0.00 O ATOM 0 H SER A 44 7.380 1.609 0.000 1.00 0.00 H new ATOM 0 HA SER A 44 8.320 -0.693 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.145 1.884 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.125 0.732 3.344 1.00 0.00 H new ATOM 0 HG SER A 44 8.925 2.308 1.081 1.00 0.00 H new ATOM 742 N LEU A 45 5.110 -0.027 1.601 1.00 0.00 N ATOM 743 CA LEU A 45 3.816 -0.582 1.971 1.00 0.00 C ATOM 744 C LEU A 45 3.623 -1.931 1.276 1.00 0.00 C ATOM 745 O LEU A 45 3.135 -2.885 1.880 1.00 0.00 O ATOM 746 CB LEU A 45 2.693 0.416 1.602 1.00 0.00 C ATOM 747 CG LEU A 45 1.256 0.063 2.061 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.601 -0.967 1.139 1.00 0.00 C ATOM 749 CD2 LEU A 45 1.259 -0.432 3.509 1.00 0.00 C ATOM 0 H LEU A 45 5.056 0.865 1.110 1.00 0.00 H new ATOM 0 HA LEU A 45 3.774 -0.746 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.953 1.388 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.684 0.529 0.518 1.00 0.00 H new ATOM 0 HG LEU A 45 0.662 0.975 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.405 -1.187 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.548 -0.567 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.193 -1.882 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.241 -0.675 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.883 -1.322 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.655 0.348 4.159 1.00 0.00 H new ATOM 761 N SER A 46 4.048 -2.003 0.016 1.00 0.00 N ATOM 762 CA SER A 46 3.933 -3.225 -0.769 1.00 0.00 C ATOM 763 C SER A 46 4.729 -4.351 -0.116 1.00 0.00 C ATOM 764 O SER A 46 4.174 -5.392 0.231 1.00 0.00 O ATOM 765 CB SER A 46 4.431 -2.994 -2.202 1.00 0.00 C ATOM 766 OG SER A 46 3.708 -1.956 -2.842 1.00 0.00 O ATOM 0 H SER A 46 4.477 -1.224 -0.483 1.00 0.00 H new ATOM 0 HA SER A 46 2.882 -3.511 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.491 -2.743 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.332 -3.915 -2.776 1.00 0.00 H new ATOM 0 HG SER A 46 3.738 -1.147 -2.289 1.00 0.00 H new ATOM 772 N LYS A 47 6.027 -4.118 0.089 1.00 0.00 N ATOM 773 CA LYS A 47 6.907 -5.153 0.628 1.00 0.00 C ATOM 774 C LYS A 47 6.447 -5.584 2.017 1.00 0.00 C ATOM 775 O LYS A 47 6.511 -6.765 2.360 1.00 0.00 O ATOM 776 CB LYS A 47 8.371 -4.682 0.677 1.00 0.00 C ATOM 777 CG LYS A 47 8.600 -3.430 1.517 1.00 0.00 C ATOM 778 CD LYS A 47 10.085 -3.101 1.707 1.00 0.00 C ATOM 779 CE LYS A 47 10.813 -2.828 0.389 1.00 0.00 C ATOM 780 NZ LYS A 47 11.146 -4.078 -0.350 1.00 0.00 N ATOM 0 H LYS A 47 6.488 -3.230 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 47 6.851 -6.010 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.987 -5.489 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.713 -4.490 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.104 -2.584 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.135 -3.564 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.178 -2.229 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.572 -3.931 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.191 -2.193 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.730 -2.275 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.136 -4.041 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.014 -4.897 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.521 -4.170 -1.176 1.00 0.00 H new ATOM 794 N ILE A 48 5.966 -4.625 2.809 1.00 0.00 N ATOM 795 CA ILE A 48 5.514 -4.919 4.163 1.00 0.00 C ATOM 796 C ILE A 48 4.261 -5.799 4.145 1.00 0.00 C ATOM 797 O ILE A 48 4.227 -6.838 4.803 1.00 0.00 O ATOM 798 CB ILE A 48 5.256 -3.621 4.970 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.588 -2.894 5.239 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.530 -3.929 6.281 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.441 -1.592 6.000 1.00 0.00 C ATOM 0 H ILE A 48 5.881 -3.646 2.536 1.00 0.00 H new ATOM 0 HA ILE A 48 6.313 -5.469 4.661 1.00 0.00 H new ATOM 0 HB ILE A 48 4.614 -2.967 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.245 -3.558 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.078 -2.692 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.360 -3.002 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.573 -4.403 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.139 -4.602 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.424 -1.144 6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.812 -0.907 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.982 -1.787 6.969 1.00 0.00 H new ATOM 813 N VAL A 49 3.245 -5.399 3.377 1.00 0.00 N ATOM 814 CA VAL A 49 2.010 -6.182 3.270 1.00 0.00 C ATOM 815 C VAL A 49 2.313 -7.602 2.778 1.00 0.00 C ATOM 816 O VAL A 49 1.791 -8.582 3.319 1.00 0.00 O ATOM 817 CB VAL A 49 0.977 -5.509 2.323 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.215 -6.431 2.054 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.496 -4.182 2.909 1.00 0.00 C ATOM 0 H VAL A 49 3.252 -4.543 2.823 1.00 0.00 H new ATOM 0 HA VAL A 49 1.573 -6.229 4.267 1.00 0.00 H new ATOM 0 HB VAL A 49 1.476 -5.315 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.919 -5.931 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.135 -7.351 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.711 -6.668 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.226 -3.726 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.025 -4.361 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.346 -3.512 3.038 1.00 0.00 H new ATOM 829 N VAL A 50 3.173 -7.703 1.764 1.00 0.00 N ATOM 830 CA VAL A 50 3.579 -8.999 1.218 1.00 0.00 C ATOM 831 C VAL A 50 4.287 -9.837 2.283 1.00 0.00 C ATOM 832 O VAL A 50 4.097 -11.052 2.362 1.00 0.00 O ATOM 833 CB VAL A 50 4.506 -8.836 -0.016 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.985 -10.193 -0.532 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.795 -8.065 -1.126 1.00 0.00 C ATOM 0 H VAL A 50 3.603 -6.901 1.303 1.00 0.00 H new ATOM 0 HA VAL A 50 2.671 -9.512 0.900 1.00 0.00 H new ATOM 0 HB VAL A 50 5.381 -8.267 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.632 -10.046 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.540 -10.706 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.125 -10.796 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.462 -7.962 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.898 -8.606 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.517 -7.076 -0.761 1.00 0.00 H new ATOM 845 N GLU A 51 5.101 -9.180 3.107 1.00 0.00 N ATOM 846 CA GLU A 51 5.782 -9.851 4.209 1.00 0.00 C ATOM 847 C GLU A 51 4.756 -10.377 5.212 1.00 0.00 C ATOM 848 O GLU A 51 4.891 -11.486 5.739 1.00 0.00 O ATOM 849 CB GLU A 51 6.750 -8.891 4.912 1.00 0.00 C ATOM 850 CG GLU A 51 7.583 -9.553 6.005 1.00 0.00 C ATOM 851 CD GLU A 51 8.326 -8.549 6.868 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.374 -8.031 6.424 1.00 0.00 O ATOM 853 OE2 GLU A 51 7.864 -8.272 7.994 1.00 0.00 O ATOM 0 H GLU A 51 5.304 -8.183 3.031 1.00 0.00 H new ATOM 0 HA GLU A 51 6.353 -10.686 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.420 -8.456 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.181 -8.070 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.931 -10.156 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.301 -10.233 5.547 1.00 0.00 H new ATOM 860 N GLU A 52 3.729 -9.566 5.460 1.00 0.00 N ATOM 861 CA GLU A 52 2.660 -9.915 6.391 1.00 0.00 C ATOM 862 C GLU A 52 1.818 -11.069 5.841 1.00 0.00 C ATOM 863 O GLU A 52 1.220 -11.834 6.600 1.00 0.00 O ATOM 864 CB GLU A 52 1.786 -8.684 6.666 1.00 0.00 C ATOM 865 CG GLU A 52 2.551 -7.489 7.250 1.00 0.00 C ATOM 866 CD GLU A 52 3.037 -7.693 8.683 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.545 -8.785 9.012 1.00 0.00 O ATOM 868 OE2 GLU A 52 2.947 -6.741 9.486 1.00 0.00 O ATOM 0 H GLU A 52 3.616 -8.652 5.022 1.00 0.00 H new ATOM 0 HA GLU A 52 3.105 -10.245 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.308 -8.376 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.990 -8.964 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.411 -7.277 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.907 -6.610 7.219 1.00 0.00 H new ATOM 875 N GLY A 53 1.766 -11.177 4.514 1.00 0.00 N ATOM 876 CA GLY A 53 1.139 -12.325 3.871 1.00 0.00 C ATOM 877 C GLY A 53 -0.276 -12.059 3.383 1.00 0.00 C ATOM 878 O GLY A 53 -0.845 -12.880 2.656 1.00 0.00 O ATOM 0 H GLY A 53 2.149 -10.486 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.752 -12.636 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.120 -13.158 4.574 1.00 0.00 H new ATOM 882 N GLY A 54 -0.853 -10.928 3.776 1.00 0.00 N ATOM 883 CA GLY A 54 -2.198 -10.602 3.336 1.00 0.00 C ATOM 884 C GLY A 54 -2.789 -9.412 4.065 1.00 0.00 C ATOM 885 O GLY A 54 -2.759 -9.353 5.297 1.00 0.00 O ATOM 0 H GLY A 54 -0.418 -10.236 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.184 -10.395 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.843 -11.468 3.484 1.00 0.00 H new ATOM 889 N TYR A 55 -3.333 -8.474 3.293 1.00 0.00 N ATOM 890 CA TYR A 55 -3.999 -7.282 3.819 1.00 0.00 C ATOM 891 C TYR A 55 -4.987 -7.622 4.944 1.00 0.00 C ATOM 892 O TYR A 55 -4.912 -7.058 6.039 1.00 0.00 O ATOM 893 CB TYR A 55 -4.719 -6.580 2.660 1.00 0.00 C ATOM 894 CG TYR A 55 -5.717 -5.520 3.070 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.414 -4.592 4.050 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.966 -5.452 2.473 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.329 -3.627 4.428 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.880 -4.501 2.839 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.563 -3.588 3.816 1.00 0.00 C ATOM 900 OH TYR A 55 -8.485 -2.640 4.183 1.00 0.00 O ATOM 0 H TYR A 55 -3.324 -8.519 2.274 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.249 -6.622 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.971 -6.121 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.236 -7.333 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.446 -4.622 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.223 -6.164 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.079 -2.910 5.196 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.848 -4.468 2.361 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.312 -3.081 4.468 1.00 0.00 H new ATOM 910 N GLU A 56 -5.908 -8.537 4.655 1.00 0.00 N ATOM 911 CA GLU A 56 -6.943 -8.949 5.610 1.00 0.00 C ATOM 912 C GLU A 56 -6.334 -9.293 6.977 1.00 0.00 C ATOM 913 O GLU A 56 -6.797 -8.807 8.018 1.00 0.00 O ATOM 914 CB GLU A 56 -7.723 -10.142 5.024 1.00 0.00 C ATOM 915 CG GLU A 56 -8.896 -10.639 5.874 1.00 0.00 C ATOM 916 CD GLU A 56 -8.507 -11.710 6.886 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.821 -12.681 6.501 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.916 -11.606 8.058 1.00 0.00 O ATOM 0 H GLU A 56 -5.962 -9.015 3.756 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.632 -8.120 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.102 -9.860 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.029 -10.969 4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.334 -9.793 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.668 -11.037 5.215 1.00 0.00 H new ATOM 925 N ALA A 57 -5.272 -10.093 6.964 1.00 0.00 N ATOM 926 CA ALA A 57 -4.606 -10.513 8.195 1.00 0.00 C ATOM 927 C ALA A 57 -4.048 -9.306 8.952 1.00 0.00 C ATOM 928 O ALA A 57 -4.134 -9.231 10.181 1.00 0.00 O ATOM 929 CB ALA A 57 -3.496 -11.511 7.880 1.00 0.00 C ATOM 0 H ALA A 57 -4.852 -10.465 6.112 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.341 -11.001 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.008 -11.816 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.922 -12.386 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.764 -11.045 7.220 1.00 0.00 H new ATOM 935 N ILE A 58 -3.494 -8.352 8.207 1.00 0.00 N ATOM 936 CA ILE A 58 -2.921 -7.147 8.801 1.00 0.00 C ATOM 937 C ILE A 58 -4.011 -6.331 9.485 1.00 0.00 C ATOM 938 O ILE A 58 -3.800 -5.774 10.565 1.00 0.00 O ATOM 939 CB ILE A 58 -2.228 -6.254 7.745 1.00 0.00 C ATOM 940 CG1 ILE A 58 -1.300 -7.085 6.852 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.445 -5.133 8.426 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.672 -6.292 5.727 1.00 0.00 C ATOM 0 H ILE A 58 -3.430 -8.390 7.190 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.175 -7.473 9.526 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.000 -5.810 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.510 -7.517 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.865 -7.916 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.963 -4.514 7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.126 -4.520 9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.686 -5.564 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.028 -6.945 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.455 -5.882 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.079 -5.477 6.143 1.00 0.00 H new ATOM 954 N CYS A 59 -5.172 -6.262 8.837 1.00 0.00 N ATOM 955 CA CYS A 59 -6.321 -5.544 9.375 1.00 0.00 C ATOM 956 C CYS A 59 -6.756 -6.167 10.700 1.00 0.00 C ATOM 957 O CYS A 59 -7.013 -5.460 11.674 1.00 0.00 O ATOM 958 CB CYS A 59 -7.478 -5.561 8.363 1.00 0.00 C ATOM 959 SG CYS A 59 -8.927 -4.599 8.865 1.00 0.00 S ATOM 0 H CYS A 59 -5.340 -6.699 7.931 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.037 -4.507 9.557 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -7.116 -5.178 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.783 -6.594 8.196 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.841 -4.678 7.944 1.00 0.00 H new ATOM 965 N LYS A 60 -6.810 -7.499 10.732 1.00 0.00 N ATOM 966 CA LYS A 60 -7.178 -8.226 11.948 1.00 0.00 C ATOM 967 C LYS A 60 -6.207 -7.929 13.087 1.00 0.00 C ATOM 968 O LYS A 60 -6.621 -7.525 14.178 1.00 0.00 O ATOM 969 CB LYS A 60 -7.220 -9.737 11.679 1.00 0.00 C ATOM 970 CG LYS A 60 -8.361 -10.164 10.769 1.00 0.00 C ATOM 971 CD LYS A 60 -9.719 -9.826 11.378 1.00 0.00 C ATOM 972 CE LYS A 60 -10.869 -10.274 10.487 1.00 0.00 C ATOM 973 NZ LYS A 60 -12.191 -9.947 11.084 1.00 0.00 N ATOM 0 H LYS A 60 -6.604 -8.096 9.931 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.170 -7.888 12.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.275 -10.044 11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.308 -10.264 12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.261 -9.670 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.300 -11.237 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.808 -10.304 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.785 -8.751 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.782 -9.794 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.802 -11.349 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.948 -10.268 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.285 -10.425 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.266 -8.919 11.220 1.00 0.00 H new ATOM 987 N ASP A 61 -4.918 -8.118 12.826 1.00 0.00 N ATOM 988 CA ASP A 61 -3.892 -7.947 13.854 1.00 0.00 C ATOM 989 C ASP A 61 -3.557 -6.471 14.075 1.00 0.00 C ATOM 990 O ASP A 61 -2.862 -6.128 15.034 1.00 0.00 O ATOM 991 CB ASP A 61 -2.614 -8.719 13.488 1.00 0.00 C ATOM 992 CG ASP A 61 -2.808 -10.230 13.467 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.337 -10.782 14.458 1.00 0.00 O ATOM 994 OD2 ASP A 61 -2.407 -10.877 12.473 1.00 0.00 O ATOM 0 H ASP A 61 -4.557 -8.390 11.912 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.298 -8.350 14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.267 -8.390 12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.830 -8.470 14.203 1.00 0.00 H new ATOM 999 N ARG A 62 -4.047 -5.604 13.180 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.804 -4.159 13.272 1.00 0.00 C ATOM 1001 C ARG A 62 -2.305 -3.865 13.177 1.00 0.00 C ATOM 1002 O ARG A 62 -1.794 -2.946 13.825 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.386 -3.592 14.582 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.882 -3.843 14.750 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.717 -3.085 13.720 1.00 0.00 C ATOM 1006 NE ARG A 62 -8.081 -3.609 13.652 1.00 0.00 N ATOM 1007 CZ ARG A 62 -9.191 -2.871 13.685 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -9.127 -1.545 13.762 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -10.372 -3.473 13.637 1.00 0.00 N ATOM 0 H ARG A 62 -4.617 -5.880 12.380 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.306 -3.670 12.437 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.856 -4.034 15.426 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.201 -2.518 14.616 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.081 -4.911 14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.188 -3.545 15.753 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.744 -2.026 13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.246 -3.162 12.740 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.192 -4.620 13.573 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.220 -1.079 13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.985 -0.994 13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.424 -4.490 13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.228 -2.919 13.662 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.615 -4.616 12.316 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.155 -4.535 12.219 1.00 0.00 C ATOM 1025 C ARG A 63 0.283 -3.195 11.626 1.00 0.00 C ATOM 1026 O ARG A 63 1.468 -2.854 11.653 1.00 0.00 O ATOM 1027 CB ARG A 63 0.400 -5.684 11.364 1.00 0.00 C ATOM 1028 CG ARG A 63 -0.058 -7.069 11.807 1.00 0.00 C ATOM 1029 CD ARG A 63 0.511 -8.162 10.908 1.00 0.00 C ATOM 1030 NE ARG A 63 -0.031 -9.482 11.225 1.00 0.00 N ATOM 1031 CZ ARG A 63 0.531 -10.634 10.857 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.679 -10.646 10.178 1.00 0.00 N ATOM 1033 NH2 ARG A 63 -0.062 -11.775 11.176 1.00 0.00 N ATOM 0 H ARG A 63 -2.042 -5.286 11.677 1.00 0.00 H new ATOM 0 HA ARG A 63 0.246 -4.619 13.229 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.100 -5.529 10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.489 -5.648 11.390 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.254 -7.244 12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.147 -7.115 11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.293 -7.923 9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.596 -8.184 11.009 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.896 -9.525 11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.137 -9.768 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.099 -11.534 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.939 -11.766 11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.358 -12.663 10.900 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.685 -2.432 11.111 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.415 -1.118 10.525 1.00 0.00 C ATOM 1049 C TRP A 64 0.339 -0.230 11.513 1.00 0.00 C ATOM 1050 O TRP A 64 1.019 0.718 11.119 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.720 -0.427 10.110 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.591 -1.259 9.212 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.856 -1.699 9.485 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.266 -1.756 7.907 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.339 -2.427 8.428 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.385 -2.476 7.450 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -1.143 -1.662 7.072 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.414 -3.094 6.209 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -1.177 -2.281 5.837 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -2.308 -2.987 5.414 1.00 0.00 C ATOM 0 H TRP A 64 -1.668 -2.705 11.089 1.00 0.00 H new ATOM 0 HA TRP A 64 0.202 -1.271 9.640 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.283 -0.167 11.006 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.479 0.507 9.603 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.396 -1.502 10.399 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.261 -2.861 8.379 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.267 -1.115 7.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.284 -3.643 5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.316 -2.219 5.188 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.307 -3.456 4.441 1.00 0.00 H new ATOM 1071 N ALA A 65 0.203 -0.547 12.799 1.00 0.00 N ATOM 1072 CA ALA A 65 0.903 0.170 13.853 1.00 0.00 C ATOM 1073 C ALA A 65 2.415 0.117 13.637 1.00 0.00 C ATOM 1074 O ALA A 65 3.082 1.153 13.614 1.00 0.00 O ATOM 1075 CB ALA A 65 0.537 -0.408 15.214 1.00 0.00 C ATOM 0 H ALA A 65 -0.393 -1.304 13.134 1.00 0.00 H new ATOM 0 HA ALA A 65 0.595 1.215 13.821 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.067 0.137 15.995 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.537 -0.315 15.372 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.819 -1.460 15.250 1.00 0.00 H new ATOM 1081 N ARG A 66 2.950 -1.093 13.450 1.00 0.00 N ATOM 1082 CA ARG A 66 4.391 -1.266 13.283 1.00 0.00 C ATOM 1083 C ARG A 66 4.823 -0.789 11.898 1.00 0.00 C ATOM 1084 O ARG A 66 5.966 -0.383 11.706 1.00 0.00 O ATOM 1085 CB ARG A 66 4.819 -2.730 13.497 1.00 0.00 C ATOM 1086 CG ARG A 66 4.510 -3.663 12.326 1.00 0.00 C ATOM 1087 CD ARG A 66 5.133 -5.042 12.529 1.00 0.00 C ATOM 1088 NE ARG A 66 5.055 -5.866 11.318 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.110 -6.430 10.720 1.00 0.00 C ATOM 1090 NH1 ARG A 66 7.332 -6.283 11.223 1.00 0.00 N ATOM 1091 NH2 ARG A 66 5.935 -7.154 9.627 1.00 0.00 N ATOM 0 H ARG A 66 2.411 -1.958 13.411 1.00 0.00 H new ATOM 0 HA ARG A 66 4.886 -0.662 14.043 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.891 -2.756 13.692 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.324 -3.113 14.389 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.430 -3.763 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.886 -3.225 11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.176 -4.928 12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.625 -5.552 13.347 1.00 0.00 H new ATOM 0 HE ARG A 66 4.135 -6.019 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.471 -5.736 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.130 -6.717 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.998 -7.280 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.737 -7.586 9.168 1.00 0.00 H new ATOM 1105 N VAL A 67 3.897 -0.843 10.941 1.00 0.00 N ATOM 1106 CA VAL A 67 4.154 -0.359 9.584 1.00 0.00 C ATOM 1107 C VAL A 67 4.425 1.144 9.613 1.00 0.00 C ATOM 1108 O VAL A 67 5.481 1.617 9.176 1.00 0.00 O ATOM 1109 CB VAL A 67 2.955 -0.647 8.642 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.246 -0.168 7.219 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.607 -2.135 8.656 1.00 0.00 C ATOM 0 H VAL A 67 2.959 -1.218 11.081 1.00 0.00 H new ATOM 0 HA VAL A 67 5.026 -0.888 9.200 1.00 0.00 H new ATOM 0 HB VAL A 67 2.093 -0.090 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.389 -0.382 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.432 0.906 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.124 -0.686 6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.764 -2.318 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.468 -2.713 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.341 -2.437 9.669 1.00 0.00 H new ATOM 1121 N ALA A 68 3.467 1.887 10.155 1.00 0.00 N ATOM 1122 CA ALA A 68 3.603 3.327 10.303 1.00 0.00 C ATOM 1123 C ALA A 68 4.828 3.651 11.153 1.00 0.00 C ATOM 1124 O ALA A 68 5.612 4.535 10.813 1.00 0.00 O ATOM 1125 CB ALA A 68 2.337 3.920 10.913 1.00 0.00 C ATOM 0 H ALA A 68 2.584 1.511 10.500 1.00 0.00 H new ATOM 0 HA ALA A 68 3.742 3.775 9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.454 4.999 11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.487 3.709 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.164 3.477 11.894 1.00 0.00 H new ATOM 1131 N GLN A 69 4.998 2.903 12.241 1.00 0.00 N ATOM 1132 CA GLN A 69 6.159 3.052 13.118 1.00 0.00 C ATOM 1133 C GLN A 69 7.456 2.832 12.333 1.00 0.00 C ATOM 1134 O GLN A 69 8.444 3.540 12.536 1.00 0.00 O ATOM 1135 CB GLN A 69 6.042 2.072 14.303 1.00 0.00 C ATOM 1136 CG GLN A 69 7.255 2.025 15.238 1.00 0.00 C ATOM 1137 CD GLN A 69 8.255 0.937 14.868 1.00 0.00 C ATOM 1138 OE1 GLN A 69 9.197 1.162 14.107 1.00 0.00 O ATOM 1139 NE2 GLN A 69 8.048 -0.258 15.397 1.00 0.00 N ATOM 0 H GLN A 69 4.341 2.182 12.539 1.00 0.00 H new ATOM 0 HA GLN A 69 6.186 4.067 13.514 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.163 2.340 14.889 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.869 1.071 13.909 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.757 2.992 15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.912 1.862 16.260 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.257 -0.408 16.024 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.679 -1.029 15.178 1.00 0.00 H new ATOM 1148 N ARG A 70 7.433 1.867 11.415 1.00 0.00 N ATOM 1149 CA ARG A 70 8.584 1.572 10.560 1.00 0.00 C ATOM 1150 C ARG A 70 8.914 2.801 9.713 1.00 0.00 C ATOM 1151 O ARG A 70 10.083 3.156 9.534 1.00 0.00 O ATOM 1152 CB ARG A 70 8.277 0.344 9.676 1.00 0.00 C ATOM 1153 CG ARG A 70 9.479 -0.269 8.947 1.00 0.00 C ATOM 1154 CD ARG A 70 9.894 0.520 7.705 1.00 0.00 C ATOM 1155 NE ARG A 70 10.887 -0.205 6.907 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.391 0.232 5.749 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.068 1.433 5.283 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.241 -0.526 5.072 1.00 0.00 N ATOM 0 H ARG A 70 6.623 1.271 11.243 1.00 0.00 H new ATOM 0 HA ARG A 70 9.453 1.335 11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.823 -0.426 10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.533 0.631 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.323 -0.324 9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.237 -1.291 8.657 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.015 0.724 7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.304 1.484 8.007 1.00 0.00 H new ATOM 0 HE ARG A 70 11.216 -1.104 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.431 2.030 5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.457 1.758 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.509 -1.441 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.627 -0.195 4.188 1.00 0.00 H new ATOM 1172 N LEU A 71 7.870 3.460 9.208 1.00 0.00 N ATOM 1173 CA LEU A 71 8.035 4.701 8.440 1.00 0.00 C ATOM 1174 C LEU A 71 8.166 5.915 9.372 1.00 0.00 C ATOM 1175 O LEU A 71 8.227 7.057 8.914 1.00 0.00 O ATOM 1176 CB LEU A 71 6.872 4.895 7.449 1.00 0.00 C ATOM 1177 CG LEU A 71 6.925 4.023 6.175 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.807 2.538 6.510 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.834 4.440 5.190 1.00 0.00 C ATOM 0 H LEU A 71 6.902 3.158 9.315 1.00 0.00 H new ATOM 0 HA LEU A 71 8.958 4.617 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.937 4.689 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.845 5.943 7.149 1.00 0.00 H new ATOM 0 HG LEU A 71 7.896 4.182 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.848 1.953 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.629 2.246 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.859 2.353 7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.889 3.814 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.857 4.321 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.977 5.483 4.909 1.00 0.00 H new ATOM 1191 N ASN A 72 8.209 5.645 10.682 1.00 0.00 N ATOM 1192 CA ASN A 72 8.480 6.662 11.713 1.00 0.00 C ATOM 1193 C ASN A 72 7.289 7.599 11.932 1.00 0.00 C ATOM 1194 O ASN A 72 7.447 8.714 12.439 1.00 0.00 O ATOM 1195 CB ASN A 72 9.756 7.467 11.386 1.00 0.00 C ATOM 1196 CG ASN A 72 11.041 6.657 11.550 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.077 7.197 11.943 1.00 0.00 O ATOM 1198 ND2 ASN A 72 10.995 5.366 11.240 1.00 0.00 N ATOM 0 H ASN A 72 8.056 4.711 11.062 1.00 0.00 H new ATOM 0 HA ASN A 72 8.644 6.124 12.646 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.694 7.833 10.361 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.801 8.342 12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.833 4.791 11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.121 4.950 10.918 1.00 0.00 H new ATOM 1205 N TYR A 73 6.097 7.134 11.578 1.00 0.00 N ATOM 1206 CA TYR A 73 4.867 7.871 11.858 1.00 0.00 C ATOM 1207 C TYR A 73 4.433 7.628 13.304 1.00 0.00 C ATOM 1208 O TYR A 73 4.816 6.621 13.906 1.00 0.00 O ATOM 1209 CB TYR A 73 3.735 7.430 10.920 1.00 0.00 C ATOM 1210 CG TYR A 73 4.045 7.546 9.442 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.785 8.610 8.939 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.587 6.585 8.550 1.00 0.00 C ATOM 1213 CE1 TYR A 73 5.057 8.708 7.590 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.854 6.677 7.202 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.590 7.741 6.723 1.00 0.00 C ATOM 1216 OH TYR A 73 4.864 7.835 5.377 1.00 0.00 O ATOM 0 H TYR A 73 5.954 6.247 11.095 1.00 0.00 H new ATOM 0 HA TYR A 73 5.067 8.931 11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.483 6.393 11.142 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.850 8.027 11.138 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.152 9.370 9.613 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.011 5.750 8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.634 9.540 7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.489 5.920 6.523 1.00 0.00 H new ATOM 0 HH TYR A 73 4.464 7.074 4.908 1.00 0.00 H new ATOM 1226 N PRO A 74 3.639 8.550 13.884 1.00 0.00 N ATOM 1227 CA PRO A 74 3.052 8.359 15.214 1.00 0.00 C ATOM 1228 C PRO A 74 2.272 7.042 15.312 1.00 0.00 C ATOM 1229 O PRO A 74 1.367 6.787 14.507 1.00 0.00 O ATOM 1230 CB PRO A 74 2.107 9.562 15.365 1.00 0.00 C ATOM 1231 CG PRO A 74 2.687 10.604 14.474 1.00 0.00 C ATOM 1232 CD PRO A 74 3.274 9.858 13.305 1.00 0.00 C ATOM 0 HA PRO A 74 3.810 8.302 15.995 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.089 9.307 15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.062 9.904 16.399 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.923 11.308 14.145 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.451 11.182 14.993 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.554 9.752 12.493 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.143 10.373 12.895 1.00 0.00 H new ATOM 1240 N PRO A 75 2.630 6.179 16.286 1.00 0.00 N ATOM 1241 CA PRO A 75 1.925 4.910 16.527 1.00 0.00 C ATOM 1242 C PRO A 75 0.492 5.144 17.030 1.00 0.00 C ATOM 1243 O PRO A 75 -0.130 6.155 16.697 1.00 0.00 O ATOM 1244 CB PRO A 75 2.799 4.218 17.591 1.00 0.00 C ATOM 1245 CG PRO A 75 3.519 5.329 18.275 1.00 0.00 C ATOM 1246 CD PRO A 75 3.758 6.373 17.221 1.00 0.00 C ATOM 0 HA PRO A 75 1.805 4.312 15.624 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.190 3.649 18.294 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.497 3.517 17.134 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.926 5.731 19.097 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.460 4.981 18.701 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.761 7.378 17.644 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.719 6.232 16.726 1.00 0.00 H new ATOM 1254 N GLY A 76 -0.046 4.200 17.797 1.00 0.00 N ATOM 1255 CA GLY A 76 -1.397 4.345 18.317 1.00 0.00 C ATOM 1256 C GLY A 76 -2.438 4.187 17.227 1.00 0.00 C ATOM 1257 O GLY A 76 -3.594 4.577 17.397 1.00 0.00 O ATOM 0 H GLY A 76 0.427 3.338 18.068 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.569 3.601 19.095 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.504 5.324 18.783 1.00 0.00 H new ATOM 1261 N LYS A 77 -2.008 3.600 16.108 1.00 0.00 N ATOM 1262 CA LYS A 77 -2.854 3.393 14.929 1.00 0.00 C ATOM 1263 C LYS A 77 -3.354 4.720 14.340 1.00 0.00 C ATOM 1264 O LYS A 77 -4.215 4.719 13.458 1.00 0.00 O ATOM 1265 CB LYS A 77 -4.056 2.473 15.240 1.00 0.00 C ATOM 1266 CG LYS A 77 -3.684 1.037 15.643 1.00 0.00 C ATOM 1267 CD LYS A 77 -3.339 0.910 17.128 1.00 0.00 C ATOM 1268 CE LYS A 77 -4.530 1.259 18.017 1.00 0.00 C ATOM 1269 NZ LYS A 77 -4.220 1.103 19.464 1.00 0.00 N ATOM 0 H LYS A 77 -1.056 3.252 15.993 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.225 2.903 14.186 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.639 2.921 16.044 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.701 2.433 14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.515 0.372 15.409 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.833 0.706 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.013 -0.108 17.340 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.503 1.568 17.365 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.837 2.287 17.822 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.374 0.620 17.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.058 1.351 20.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.952 0.117 19.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.432 1.732 19.720 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.792 5.844 14.798 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.243 7.165 14.344 1.00 0.00 C ATOM 1285 C ASN A 78 -3.086 7.306 12.831 1.00 0.00 C ATOM 1286 O ASN A 78 -4.060 7.557 12.120 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.482 8.293 15.065 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.926 8.474 16.511 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -3.897 9.182 16.788 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -2.211 7.862 17.443 1.00 0.00 N ATOM 0 H ASN A 78 -2.031 5.867 15.477 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.301 7.253 14.593 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.414 8.077 15.042 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.630 9.228 14.525 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.457 7.969 18.427 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.414 7.284 17.177 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.866 7.120 12.335 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.618 7.182 10.895 1.00 0.00 C ATOM 1299 C ILE A 79 -1.941 5.835 10.245 1.00 0.00 C ATOM 1300 O ILE A 79 -2.184 5.754 9.039 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.157 7.599 10.576 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.177 8.948 11.241 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.075 7.678 9.065 1.00 0.00 C ATOM 1304 CD1 ILE A 79 -0.835 10.042 10.964 1.00 0.00 C ATOM 0 H ILE A 79 -1.040 6.927 12.901 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.274 7.948 10.480 1.00 0.00 H new ATOM 0 HB ILE A 79 0.507 6.836 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.251 8.801 12.318 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.157 9.278 10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.106 7.972 8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.115 6.703 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.601 8.415 8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.527 10.958 11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.894 10.220 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.813 9.735 11.335 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.966 4.782 11.062 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.326 3.461 10.572 1.00 0.00 C ATOM 1318 C GLY A 80 -3.720 3.448 9.973 1.00 0.00 C ATOM 1319 O GLY A 80 -3.972 2.775 8.969 1.00 0.00 O ATOM 0 H GLY A 80 -1.743 4.821 12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.604 3.142 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.274 2.742 11.390 1.00 0.00 H new ATOM 1323 N SER A 81 -4.624 4.203 10.592 1.00 0.00 N ATOM 1324 CA SER A 81 -5.984 4.354 10.091 1.00 0.00 C ATOM 1325 C SER A 81 -5.970 5.046 8.723 1.00 0.00 C ATOM 1326 O SER A 81 -6.639 4.608 7.786 1.00 0.00 O ATOM 1327 CB SER A 81 -6.819 5.160 11.094 1.00 0.00 C ATOM 1328 OG SER A 81 -6.775 4.563 12.384 1.00 0.00 O ATOM 0 H SER A 81 -4.435 4.723 11.449 1.00 0.00 H new ATOM 0 HA SER A 81 -6.433 3.368 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.443 6.182 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.852 5.218 10.750 1.00 0.00 H new ATOM 0 HG SER A 81 -5.878 4.669 12.763 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.180 6.118 8.622 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.014 6.865 7.371 1.00 0.00 C ATOM 1336 C LEU A 82 -4.532 5.919 6.265 1.00 0.00 C ATOM 1337 O LEU A 82 -5.030 5.946 5.126 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.008 8.021 7.606 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.822 9.049 6.466 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.874 8.529 5.384 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.172 9.444 5.867 1.00 0.00 C ATOM 0 H LEU A 82 -4.639 6.492 9.402 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.966 7.291 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.320 8.562 8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.035 7.581 7.824 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.365 9.939 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.769 9.280 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.898 8.324 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.279 7.612 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.017 10.168 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.665 8.559 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.798 9.887 6.641 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.577 5.070 6.626 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.999 4.098 5.708 1.00 0.00 C ATOM 1355 C LEU A 83 -4.069 3.129 5.197 1.00 0.00 C ATOM 1356 O LEU A 83 -4.224 2.949 3.986 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.867 3.333 6.409 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.172 2.244 5.573 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.597 2.828 4.284 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.077 1.565 6.394 1.00 0.00 C ATOM 0 H LEU A 83 -3.181 5.037 7.566 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.590 4.628 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.114 4.052 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.271 2.870 7.309 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.916 1.496 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.111 2.038 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.401 3.263 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.133 3.600 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.407 0.797 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.662 2.306 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.517 1.107 7.280 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.815 2.523 6.124 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.870 1.573 5.762 1.00 0.00 C ATOM 1374 C ARG A 84 -6.920 2.264 4.893 1.00 0.00 C ATOM 1375 O ARG A 84 -7.409 1.686 3.919 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.512 0.964 7.030 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.430 -0.244 6.774 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.826 0.153 6.284 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.638 -1.012 5.917 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.827 -0.935 5.310 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -11.359 0.249 5.031 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.484 -2.045 4.985 1.00 0.00 N ATOM 0 H ARG A 84 -4.709 2.672 7.127 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.429 0.758 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.718 0.660 7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.088 1.739 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.964 -0.896 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.525 -0.821 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.336 0.717 7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.732 0.814 5.422 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.273 -1.938 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.861 1.103 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.266 0.304 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.081 -2.957 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.391 -1.984 4.522 1.00 0.00 H new ATOM 1396 N SER A 85 -7.243 3.506 5.240 1.00 0.00 N ATOM 1397 CA SER A 85 -8.239 4.277 4.504 1.00 0.00 C ATOM 1398 C SER A 85 -7.853 4.398 3.030 1.00 0.00 C ATOM 1399 O SER A 85 -8.637 4.051 2.144 1.00 0.00 O ATOM 1400 CB SER A 85 -8.414 5.665 5.133 1.00 0.00 C ATOM 1401 OG SER A 85 -8.907 5.566 6.461 1.00 0.00 O ATOM 0 H SER A 85 -6.828 4.001 6.029 1.00 0.00 H new ATOM 0 HA SER A 85 -9.191 3.749 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.459 6.190 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.102 6.257 4.530 1.00 0.00 H new ATOM 0 HG SER A 85 -8.198 5.232 7.049 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.632 4.864 2.767 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.170 5.021 1.386 1.00 0.00 C ATOM 1409 C HIS A 86 -5.940 3.669 0.725 1.00 0.00 C ATOM 1410 O HIS A 86 -6.021 3.549 -0.499 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.898 5.874 1.310 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.145 7.332 1.543 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.689 8.165 0.591 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -4.921 8.104 2.627 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.788 9.384 1.080 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.329 9.377 2.315 1.00 0.00 N ATOM 0 H HIS A 86 -5.954 5.136 3.479 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.958 5.541 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.182 5.512 2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.440 5.743 0.330 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.971 7.882 -0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.499 7.780 3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.179 10.244 0.557 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.656 2.649 1.531 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.483 1.302 1.005 1.00 0.00 C ATOM 1427 C TYR A 87 -6.780 0.835 0.356 1.00 0.00 C ATOM 1428 O TYR A 87 -6.789 0.435 -0.808 1.00 0.00 O ATOM 1429 CB TYR A 87 -5.064 0.316 2.108 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.741 -1.076 1.580 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.756 -1.954 1.207 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.424 -1.503 1.431 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -5.473 -3.204 0.709 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -3.132 -2.759 0.927 1.00 0.00 C ATOM 1435 CZ TYR A 87 -4.161 -3.606 0.569 1.00 0.00 C ATOM 1436 OH TYR A 87 -3.880 -4.852 0.060 1.00 0.00 O ATOM 0 H TYR A 87 -5.542 2.730 2.541 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.687 1.328 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.191 0.712 2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.866 0.241 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.786 -1.647 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.617 -0.843 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.276 -3.869 0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.105 -3.074 0.815 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.909 -4.980 0.025 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.874 0.917 1.118 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.184 0.435 0.674 1.00 0.00 C ATOM 1448 C GLU A 88 -9.513 0.919 -0.739 1.00 0.00 C ATOM 1449 O GLU A 88 -10.005 0.152 -1.572 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.285 0.903 1.638 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.689 0.439 1.241 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.795 1.173 1.985 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -13.210 0.709 3.068 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.261 2.220 1.479 1.00 0.00 O ATOM 0 H GLU A 88 -7.877 1.318 2.056 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.141 -0.654 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.060 0.535 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.273 1.992 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.823 0.584 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.779 -0.630 1.432 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.242 2.191 -1.004 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.602 2.797 -2.280 1.00 0.00 C ATOM 1463 C ARG A 89 -8.508 2.579 -3.328 1.00 0.00 C ATOM 1464 O ARG A 89 -8.760 2.014 -4.394 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.868 4.300 -2.102 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.572 4.942 -3.296 1.00 0.00 C ATOM 1467 CD ARG A 89 -12.002 4.424 -3.454 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.898 4.932 -2.407 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.330 4.222 -1.358 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -12.939 2.964 -1.185 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -14.159 4.776 -0.485 1.00 0.00 N ATOM 0 H ARG A 89 -8.775 2.822 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.512 2.312 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.475 4.450 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.920 4.811 -1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.589 6.025 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.008 4.736 -4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.386 4.717 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.996 3.334 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.215 5.898 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.304 2.531 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.274 2.432 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.466 5.740 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.490 4.238 0.316 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.291 3.008 -3.004 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.200 3.065 -3.979 1.00 0.00 C ATOM 1487 C ILE A 90 -5.463 1.729 -4.111 1.00 0.00 C ATOM 1488 O ILE A 90 -5.323 1.191 -5.210 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.164 4.160 -3.591 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.858 5.512 -3.332 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.091 4.303 -4.671 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.598 6.077 -4.527 1.00 0.00 C ATOM 0 H ILE A 90 -7.033 3.323 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.664 3.305 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.678 3.847 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.561 5.393 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.109 6.235 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.379 5.074 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.569 3.354 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.559 4.583 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.055 7.028 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.898 6.232 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.374 5.377 -4.839 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.005 1.193 -2.984 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.024 0.104 -2.995 1.00 0.00 C ATOM 1506 C VAL A 91 -4.673 -1.284 -3.037 1.00 0.00 C ATOM 1507 O VAL A 91 -4.049 -2.246 -3.484 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.090 0.193 -1.761 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.959 -0.831 -1.853 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.532 1.608 -1.604 1.00 0.00 C ATOM 0 H VAL A 91 -5.294 1.491 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.446 0.228 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.681 -0.040 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.319 -0.746 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.380 -1.835 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.370 -0.643 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.879 1.647 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.964 1.876 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.355 2.311 -1.473 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.921 -1.393 -2.592 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.577 -2.700 -2.492 1.00 0.00 C ATOM 1522 C TYR A 92 -6.667 -3.396 -3.868 1.00 0.00 C ATOM 1523 O TYR A 92 -6.435 -4.601 -3.961 1.00 0.00 O ATOM 1524 CB TYR A 92 -7.966 -2.584 -1.831 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.413 -3.846 -1.093 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.688 -5.029 -1.171 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.562 -3.850 -0.315 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.097 -6.167 -0.506 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -9.971 -4.981 0.354 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.240 -6.138 0.255 1.00 0.00 C ATOM 1531 OH TYR A 92 -9.650 -7.271 0.922 1.00 0.00 O ATOM 0 H TYR A 92 -6.496 -0.604 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.958 -3.326 -1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.954 -1.750 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.703 -2.344 -2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.786 -5.058 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.148 -2.946 -0.233 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.520 -7.077 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.867 -4.958 0.957 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.217 -7.811 0.332 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.003 -2.669 -4.961 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.928 -3.233 -6.320 1.00 0.00 C ATOM 1543 C PRO A 93 -5.538 -3.810 -6.621 1.00 0.00 C ATOM 1544 O PRO A 93 -5.399 -4.789 -7.362 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.227 -2.030 -7.227 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.048 -1.120 -6.378 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.526 -1.285 -4.975 1.00 0.00 C ATOM 0 HA PRO A 93 -7.621 -4.062 -6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.309 -1.544 -7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.768 -2.333 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.956 -0.086 -6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.105 -1.380 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.745 -0.559 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.314 -1.146 -4.235 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.514 -3.206 -6.019 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.135 -3.644 -6.213 1.00 0.00 C ATOM 1557 C TYR A 94 -2.826 -4.899 -5.403 1.00 0.00 C ATOM 1558 O TYR A 94 -1.871 -5.605 -5.712 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.145 -2.523 -5.873 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.972 -1.521 -6.996 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -1.088 -1.777 -8.039 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.692 -0.331 -7.024 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.929 -0.879 -9.074 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.532 0.571 -8.053 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.650 0.293 -9.074 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.505 1.181 -10.112 1.00 0.00 O ATOM 0 H TYR A 94 -4.616 -2.409 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.020 -3.892 -7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.488 -2.002 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.176 -2.962 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.517 -2.694 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.387 -0.111 -6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.243 -1.095 -9.880 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.096 1.492 -8.059 1.00 0.00 H new ATOM 0 HH TYR A 94 -1.436 2.092 -9.756 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.619 -5.175 -4.371 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.529 -6.458 -3.677 1.00 0.00 C ATOM 1578 C GLU A 95 -3.770 -7.568 -4.695 1.00 0.00 C ATOM 1579 O GLU A 95 -2.925 -8.438 -4.912 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.566 -6.540 -2.539 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.611 -7.887 -1.808 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.394 -8.145 -0.923 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.276 -8.250 -1.459 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.567 -8.276 0.311 1.00 0.00 O ATOM 0 H GLU A 95 -4.323 -4.537 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.541 -6.565 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.352 -5.755 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.554 -6.332 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.511 -7.928 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.691 -8.687 -2.544 1.00 0.00 H new ATOM 1591 N MET A 96 -4.916 -7.478 -5.366 1.00 0.00 N ATOM 1592 CA MET A 96 -5.299 -8.445 -6.390 1.00 0.00 C ATOM 1593 C MET A 96 -4.286 -8.449 -7.537 1.00 0.00 C ATOM 1594 O MET A 96 -3.888 -9.505 -8.022 1.00 0.00 O ATOM 1595 CB MET A 96 -6.698 -8.121 -6.933 1.00 0.00 C ATOM 1596 CG MET A 96 -7.814 -8.121 -5.886 1.00 0.00 C ATOM 1597 SD MET A 96 -8.309 -9.777 -5.340 1.00 0.00 S ATOM 1598 CE MET A 96 -7.009 -10.202 -4.176 1.00 0.00 C ATOM 0 H MET A 96 -5.601 -6.737 -5.216 1.00 0.00 H new ATOM 0 HA MET A 96 -5.314 -9.435 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.668 -7.142 -7.410 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.947 -8.846 -7.708 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.486 -7.546 -5.020 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.684 -7.609 -6.297 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.364 -10.964 -4.614 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.419 -9.314 -3.949 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.454 -10.587 -3.258 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.878 -7.257 -7.964 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.925 -7.109 -9.065 1.00 0.00 C ATOM 1610 C TYR A 97 -1.554 -7.692 -8.697 1.00 0.00 C ATOM 1611 O TYR A 97 -1.125 -8.707 -9.257 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.799 -5.625 -9.449 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.723 -5.327 -10.483 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.848 -5.760 -11.802 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.581 -4.610 -10.137 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.870 -5.485 -12.739 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.398 -4.332 -11.070 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.251 -4.771 -12.368 1.00 0.00 C ATOM 1619 OH TYR A 97 1.231 -4.493 -13.298 1.00 0.00 O ATOM 0 H TYR A 97 -4.193 -6.374 -7.563 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.300 -7.668 -9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.759 -5.280 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.589 -5.047 -8.549 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.723 -6.320 -12.097 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.459 -4.265 -9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.983 -5.827 -13.757 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.276 -3.772 -10.784 1.00 0.00 H new ATOM 0 HH TYR A 97 2.076 -4.307 -12.837 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.882 -7.057 -7.740 1.00 0.00 N ATOM 1630 CA GLN A 98 0.475 -7.439 -7.362 1.00 0.00 C ATOM 1631 C GLN A 98 0.519 -8.888 -6.882 1.00 0.00 C ATOM 1632 O GLN A 98 1.293 -9.695 -7.401 1.00 0.00 O ATOM 1633 CB GLN A 98 1.024 -6.499 -6.276 1.00 0.00 C ATOM 1634 CG GLN A 98 2.505 -6.709 -5.970 1.00 0.00 C ATOM 1635 CD GLN A 98 3.016 -5.791 -4.869 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.988 -6.142 -3.692 1.00 0.00 O ATOM 1637 NE2 GLN A 98 3.486 -4.610 -5.247 1.00 0.00 N ATOM 0 H GLN A 98 -1.258 -6.271 -7.210 1.00 0.00 H new ATOM 0 HA GLN A 98 1.106 -7.351 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.870 -5.467 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.450 -6.642 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.667 -7.746 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.086 -6.540 -6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.492 -4.356 -6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.842 -3.956 -4.550 1.00 0.00 H new ATOM 1646 N SER A 99 -0.325 -9.232 -5.916 1.00 0.00 N ATOM 1647 CA SER A 99 -0.341 -10.588 -5.387 1.00 0.00 C ATOM 1648 C SER A 99 -0.878 -11.564 -6.436 1.00 0.00 C ATOM 1649 O SER A 99 -0.466 -12.718 -6.486 1.00 0.00 O ATOM 1650 CB SER A 99 -1.146 -10.647 -4.088 1.00 0.00 C ATOM 1651 OG SER A 99 -0.556 -9.802 -3.109 1.00 0.00 O ATOM 0 H SER A 99 -1.000 -8.598 -5.488 1.00 0.00 H new ATOM 0 HA SER A 99 0.680 -10.889 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.175 -10.338 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.183 -11.672 -3.720 1.00 0.00 H new ATOM 0 HG SER A 99 -1.260 -9.329 -2.618 1.00 0.00 H new ATOM 1657 N GLY A 100 -1.768 -11.087 -7.302 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.216 -11.900 -8.420 1.00 0.00 C ATOM 1659 C GLY A 100 -1.087 -12.176 -9.397 1.00 0.00 C ATOM 1660 O GLY A 100 -1.133 -13.145 -10.161 1.00 0.00 O ATOM 0 H GLY A 100 -2.185 -10.158 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.615 -12.844 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.030 -11.392 -8.937 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.078 -11.304 -9.383 1.00 0.00 N ATOM 1665 CA ALA A 101 1.111 -11.470 -10.214 1.00 0.00 C ATOM 1666 C ALA A 101 2.188 -12.300 -9.506 1.00 0.00 C ATOM 1667 O ALA A 101 2.968 -12.999 -10.156 1.00 0.00 O ATOM 1668 CB ALA A 101 1.667 -10.108 -10.617 1.00 0.00 C ATOM 0 H ALA A 101 -0.063 -10.468 -8.798 1.00 0.00 H new ATOM 0 HA ALA A 101 0.815 -12.014 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.553 -10.246 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.912 -9.559 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.933 -9.545 -9.723 1.00 0.00 H new ATOM 1674 N ASN A 102 2.235 -12.218 -8.174 1.00 0.00 N ATOM 1675 CA ASN A 102 3.254 -12.933 -7.394 1.00 0.00 C ATOM 1676 C ASN A 102 2.687 -14.217 -6.784 1.00 0.00 C ATOM 1677 O ASN A 102 3.144 -15.318 -7.105 1.00 0.00 O ATOM 1678 CB ASN A 102 3.814 -12.039 -6.272 1.00 0.00 C ATOM 1679 CG ASN A 102 4.637 -10.869 -6.791 1.00 0.00 C ATOM 1680 OD1 ASN A 102 5.843 -10.987 -7.004 1.00 0.00 O ATOM 1681 ND2 ASN A 102 3.998 -9.726 -6.980 1.00 0.00 N ATOM 0 H ASN A 102 1.584 -11.668 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 102 4.060 -13.196 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.987 -11.656 -5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.433 -12.644 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.506 -8.907 -7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.997 -9.664 -6.793 1.00 0.00 H new ATOM 1688 N LEU A 103 1.687 -14.059 -5.918 1.00 0.00 N ATOM 1689 CA LEU A 103 1.049 -15.172 -5.208 1.00 0.00 C ATOM 1690 C LEU A 103 -0.066 -14.623 -4.315 1.00 0.00 C ATOM 1691 O LEU A 103 0.071 -13.537 -3.752 1.00 0.00 O ATOM 1692 CB LEU A 103 2.084 -15.977 -4.384 1.00 0.00 C ATOM 1693 CG LEU A 103 2.993 -15.166 -3.427 1.00 0.00 C ATOM 1694 CD1 LEU A 103 2.286 -14.843 -2.110 1.00 0.00 C ATOM 1695 CD2 LEU A 103 4.299 -15.914 -3.163 1.00 0.00 C ATOM 0 H LEU A 103 1.292 -13.148 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 103 0.617 -15.860 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.546 -16.720 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.722 -16.523 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 103 3.222 -14.220 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.957 -14.274 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.391 -14.254 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.005 -15.770 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.924 -15.328 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.080 -16.880 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.827 -16.068 -4.104 1.00 0.00 H new ATOM 1707 N VAL A 104 -1.174 -15.349 -4.206 1.00 0.00 N ATOM 1708 CA VAL A 104 -2.323 -14.869 -3.441 1.00 0.00 C ATOM 1709 C VAL A 104 -2.998 -16.011 -2.682 1.00 0.00 C ATOM 1710 O VAL A 104 -3.181 -17.106 -3.220 1.00 0.00 O ATOM 1711 CB VAL A 104 -3.355 -14.165 -4.366 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -3.861 -15.114 -5.454 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -4.517 -13.594 -3.554 1.00 0.00 C ATOM 0 H VAL A 104 -1.302 -16.266 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.951 -14.144 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.848 -13.335 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.581 -14.593 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.022 -15.450 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.341 -15.976 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.225 -13.107 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.019 -14.401 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.137 -12.866 -2.837 1.00 0.00 H new ATOM 1723 N CYS A 105 -3.334 -15.755 -1.419 1.00 0.00 N ATOM 1724 CA CYS A 105 -4.037 -16.726 -0.584 1.00 0.00 C ATOM 1725 C CYS A 105 -5.251 -16.086 0.097 1.00 0.00 C ATOM 1726 O CYS A 105 -6.131 -16.786 0.603 1.00 0.00 O ATOM 1727 CB CYS A 105 -3.086 -17.301 0.472 1.00 0.00 C ATOM 1728 SG CYS A 105 -1.615 -18.100 -0.214 1.00 0.00 S ATOM 0 H CYS A 105 -3.128 -14.874 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.390 -17.534 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.772 -16.498 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.630 -18.025 1.079 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.875 -18.551 0.755 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.295 -14.755 0.107 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.378 -14.013 0.763 1.00 0.00 C ATOM 1736 C ASN A 106 -7.533 -13.716 -0.201 1.00 0.00 C ATOM 1737 O ASN A 106 -8.341 -12.817 0.045 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.847 -12.705 1.377 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.195 -11.779 0.362 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.616 -12.226 -0.628 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.284 -10.481 0.605 1.00 0.00 N ATOM 0 H ASN A 106 -4.591 -14.163 -0.333 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.766 -14.647 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.671 -12.179 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.123 -12.946 2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.864 -9.811 -0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.773 -10.150 1.437 1.00 0.00 H new ATOM 1748 N THR A 107 -7.620 -14.496 -1.276 1.00 0.00 N ATOM 1749 CA THR A 107 -8.641 -14.310 -2.309 1.00 0.00 C ATOM 1750 C THR A 107 -10.069 -14.298 -1.728 1.00 0.00 C ATOM 1751 O THR A 107 -10.905 -13.481 -2.126 1.00 0.00 O ATOM 1752 CB THR A 107 -8.535 -15.434 -3.369 1.00 0.00 C ATOM 1753 OG1 THR A 107 -7.176 -15.554 -3.813 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.440 -15.163 -4.569 1.00 0.00 C ATOM 0 H THR A 107 -6.986 -15.274 -1.457 1.00 0.00 H new ATOM 0 HA THR A 107 -8.456 -13.338 -2.767 1.00 0.00 H new ATOM 0 HB THR A 107 -8.860 -16.364 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.112 -16.267 -4.482 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.339 -15.973 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.476 -15.101 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.152 -14.222 -5.037 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.337 -15.191 -0.774 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.681 -15.329 -0.200 1.00 0.00 C ATOM 1764 C ARG A 108 -11.930 -14.316 0.934 1.00 0.00 C ATOM 1765 O ARG A 108 -12.943 -13.611 0.913 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.921 -16.762 0.305 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.779 -17.840 -0.767 1.00 0.00 C ATOM 1768 CD ARG A 108 -11.990 -19.239 -0.191 1.00 0.00 C ATOM 1769 NE ARG A 108 -13.368 -19.451 0.268 1.00 0.00 N ATOM 1770 CZ ARG A 108 -13.703 -19.971 1.454 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.769 -20.272 2.347 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -14.982 -20.166 1.749 1.00 0.00 N ATOM 0 H ARG A 108 -9.645 -15.829 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.391 -15.115 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.218 -16.973 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.922 -16.821 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.503 -17.661 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.788 -17.777 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.744 -19.982 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.304 -19.394 0.642 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.124 -19.183 -0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.786 -20.107 2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.034 -20.668 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.705 -19.920 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -15.242 -20.562 2.652 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.027 -14.222 1.948 1.00 0.00 N ATOM 1787 CA PRO A 109 -11.205 -13.291 3.079 1.00 0.00 C ATOM 1788 C PRO A 109 -11.302 -11.820 2.651 1.00 0.00 C ATOM 1789 O PRO A 109 -11.586 -10.947 3.475 1.00 0.00 O ATOM 1790 CB PRO A 109 -9.967 -13.527 3.962 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.985 -14.215 3.080 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.796 -15.020 2.104 1.00 0.00 C ATOM 0 HA PRO A 109 -12.147 -13.481 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.566 -12.586 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.213 -14.139 4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.354 -13.493 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.323 -14.858 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.275 -15.146 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.009 -16.019 2.485 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.062 -11.555 1.366 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.274 -10.228 0.783 1.00 0.00 C ATOM 1802 C PHE A 110 -12.667 -9.714 1.179 1.00 0.00 C ATOM 1803 O PHE A 110 -12.812 -8.677 1.843 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.154 -10.330 -0.750 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.062 -9.013 -1.494 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.078 -8.067 -1.422 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -9.954 -8.733 -2.281 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -11.986 -6.874 -2.116 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -9.861 -7.544 -2.979 1.00 0.00 C ATOM 1810 CZ PHE A 110 -10.877 -6.614 -2.896 1.00 0.00 C ATOM 0 H PHE A 110 -10.717 -12.249 0.703 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.525 -9.529 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.270 -10.922 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.017 -10.879 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.950 -8.266 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.153 -9.454 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.781 -6.146 -2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -8.993 -7.343 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.805 -5.684 -3.440 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.682 -10.483 0.792 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.076 -10.161 1.104 1.00 0.00 C ATOM 1822 C ASP A 111 -15.288 -10.101 2.615 1.00 0.00 C ATOM 1823 O ASP A 111 -16.087 -9.304 3.113 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.005 -11.212 0.478 1.00 0.00 C ATOM 1825 CG ASP A 111 -17.474 -10.994 0.815 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -18.136 -10.190 0.125 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.980 -11.647 1.754 1.00 0.00 O ATOM 0 H ASP A 111 -13.565 -11.343 0.256 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.312 -9.182 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.882 -11.197 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.704 -12.202 0.819 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.548 -10.935 3.339 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.659 -11.001 4.792 1.00 0.00 C ATOM 1834 C ASN A 112 -14.219 -9.687 5.431 1.00 0.00 C ATOM 1835 O ASN A 112 -14.783 -9.271 6.442 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.824 -12.155 5.367 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.270 -13.522 4.878 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.735 -13.676 3.747 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -14.132 -14.526 5.728 1.00 0.00 N ATOM 0 H ASN A 112 -13.862 -11.577 2.941 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.708 -11.180 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.778 -12.005 5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.882 -12.129 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.415 -15.467 5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -13.743 -14.359 6.656 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.207 -9.037 4.852 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.726 -7.766 5.392 1.00 0.00 C ATOM 1848 C GLU A 113 -13.662 -6.641 4.964 1.00 0.00 C ATOM 1849 O GLU A 113 -13.864 -5.675 5.708 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.260 -7.488 4.973 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.067 -6.706 3.667 1.00 0.00 C ATOM 1852 CD GLU A 113 -11.224 -5.193 3.827 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.552 -4.607 4.706 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -12.021 -4.585 3.081 1.00 0.00 O ATOM 0 H GLU A 113 -12.712 -9.364 4.022 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.730 -7.823 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.772 -6.938 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.743 -8.443 4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.075 -6.919 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.788 -7.061 2.931 1.00 0.00 H new ATOM 1861 N GLU A 114 -14.240 -6.775 3.764 1.00 0.00 N ATOM 1862 CA GLU A 114 -15.234 -5.809 3.286 1.00 0.00 C ATOM 1863 C GLU A 114 -16.453 -5.798 4.210 1.00 0.00 C ATOM 1864 O GLU A 114 -17.032 -4.745 4.482 1.00 0.00 O ATOM 1865 CB GLU A 114 -15.667 -6.117 1.843 1.00 0.00 C ATOM 1866 CG GLU A 114 -14.539 -6.013 0.818 1.00 0.00 C ATOM 1867 CD GLU A 114 -15.044 -6.049 -0.620 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -15.368 -7.146 -1.121 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -15.119 -4.971 -1.258 1.00 0.00 O ATOM 0 H GLU A 114 -14.039 -7.534 3.113 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.770 -4.823 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.084 -7.123 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.465 -5.431 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.989 -5.086 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.837 -6.832 0.973 1.00 0.00 H new ATOM 1876 N LYS A 115 -16.837 -6.979 4.688 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.937 -7.108 5.642 1.00 0.00 C ATOM 1878 C LYS A 115 -17.454 -6.757 7.049 1.00 0.00 C ATOM 1879 O LYS A 115 -18.194 -6.183 7.851 1.00 0.00 O ATOM 1880 CB LYS A 115 -18.497 -8.539 5.613 1.00 0.00 C ATOM 1881 CG LYS A 115 -19.716 -8.757 6.509 1.00 0.00 C ATOM 1882 CD LYS A 115 -20.889 -7.864 6.103 1.00 0.00 C ATOM 1883 CE LYS A 115 -22.145 -8.169 6.912 1.00 0.00 C ATOM 1884 NZ LYS A 115 -21.964 -7.917 8.368 1.00 0.00 N ATOM 0 H LYS A 115 -16.401 -7.864 4.429 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.731 -6.416 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.766 -8.791 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.710 -9.230 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.021 -9.802 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -19.446 -8.553 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.614 -6.818 6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -21.099 -8.001 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.969 -7.559 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.427 -9.211 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.869 -8.058 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.256 -8.577 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.640 -6.940 8.513 1.00 0.00 H new ATOM 1898 N ASP A 116 -16.199 -7.112 7.322 1.00 0.00 N ATOM 1899 CA ASP A 116 -15.551 -6.869 8.613 1.00 0.00 C ATOM 1900 C ASP A 116 -16.268 -7.613 9.741 1.00 0.00 C ATOM 1901 O ASP A 116 -17.341 -7.209 10.199 1.00 0.00 O ATOM 1902 CB ASP A 116 -15.466 -5.367 8.924 1.00 0.00 C ATOM 1903 CG ASP A 116 -14.664 -5.087 10.188 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -13.415 -5.114 10.122 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -15.277 -4.843 11.252 1.00 0.00 O ATOM 0 H ASP A 116 -15.596 -7.582 6.647 1.00 0.00 H new ATOM 0 HA ASP A 116 -14.534 -7.256 8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -15.007 -4.849 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -16.472 -4.963 9.037 1.00 0.00 H new ATOM 1910 N LYS A 117 -15.671 -8.718 10.164 1.00 0.00 N ATOM 1911 CA LYS A 117 -16.213 -9.541 11.238 1.00 0.00 C ATOM 1912 C LYS A 117 -15.601 -9.124 12.578 1.00 0.00 C ATOM 1913 O LYS A 117 -14.531 -9.659 12.942 1.00 0.00 O ATOM 1914 CB LYS A 117 -15.930 -11.028 10.960 1.00 0.00 C ATOM 1915 CG LYS A 117 -16.494 -11.535 9.636 1.00 0.00 C ATOM 1916 CD LYS A 117 -18.017 -11.470 9.601 1.00 0.00 C ATOM 1917 CE LYS A 117 -18.569 -12.006 8.287 1.00 0.00 C ATOM 1918 NZ LYS A 117 -18.199 -13.430 8.059 1.00 0.00 N ATOM 1919 OXT LYS A 117 -16.180 -8.249 13.254 1.00 0.00 O ATOM 0 H LYS A 117 -14.797 -9.070 9.773 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.292 -9.395 11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.852 -11.189 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -16.347 -11.624 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.087 -10.941 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.171 -12.564 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -18.426 -12.047 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.341 -10.439 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -19.655 -11.910 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.194 -11.399 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.780 -13.821 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.194 -13.490 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.365 -13.975 8.929 1.00 0.00 H new TER 1933 LYS A 117