USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 855 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 65 MET CE :methyl 168:sc= -0.149 (180deg=-0.395) USER MOD Set 1.2: A 98 MET CE :methyl -169:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN :FLIP amide:sc=-0.00854 F(o=-0.96,f=-0.38) USER MOD Set 2.2: A 32 MET CE :methyl -146:sc= -0.369 (180deg=-0.905) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -119:sc= 0.521 (180deg=-0.00159) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.118) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -0.0727 (180deg=-0.0727) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.193 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -0.302 (180deg=-0.356) USER MOD Single : A 26 MET CE :methyl 179:sc= -1.15 (180deg=-1.15) USER MOD Single : A 27 TYR OH : rot 110:sc= -0.111 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0.333 (180deg=0.329) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= -1.94! C(o=-1.9!,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -79:sc= -1.19 USER MOD Single : A 62 THR OG1 : rot 85:sc= 0.136 USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 0.128 (180deg=-0.00262) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.35) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.173) USER MOD Single : A 80 GLN : amide:sc= 0.255 K(o=0.26,f=-8.3!) USER MOD Single : A 82 THR OG1 : rot 43:sc= 0.559 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.211 (180deg=-0.411) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 93 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 97 LYS NZ :NH3+ -143:sc= 0.587 (180deg=0.0975) USER MOD Single : A 100 ASN : amide:sc= -0.715 K(o=-0.71,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.777 18.459 -19.221 1.00 0.00 N ATOM 2 CA ALA A 1 17.423 17.941 -19.582 1.00 0.00 C ATOM 3 C ALA A 1 17.426 16.408 -19.532 1.00 0.00 C ATOM 4 O ALA A 1 18.185 15.757 -20.231 1.00 0.00 O ATOM 5 CB ALA A 1 17.055 18.407 -20.995 1.00 0.00 C ATOM 0 H1 ALA A 1 18.772 19.498 -19.256 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.024 18.146 -18.260 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.480 18.094 -19.895 1.00 0.00 H new ATOM 0 HA ALA A 1 16.690 18.323 -18.872 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.067 18.028 -21.257 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.047 19.496 -21.028 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.789 18.028 -21.706 1.00 0.00 H new ATOM 13 N THR A 2 16.583 15.832 -18.708 1.00 0.00 N ATOM 14 CA THR A 2 16.522 14.340 -18.598 1.00 0.00 C ATOM 15 C THR A 2 15.076 13.867 -18.799 1.00 0.00 C ATOM 16 O THR A 2 14.813 13.003 -19.615 1.00 0.00 O ATOM 17 CB THR A 2 17.023 13.896 -17.215 1.00 0.00 C ATOM 18 OG1 THR A 2 16.371 14.650 -16.199 1.00 0.00 O ATOM 19 CG2 THR A 2 18.534 14.115 -17.122 1.00 0.00 C ATOM 0 H THR A 2 15.932 16.334 -18.104 1.00 0.00 H new ATOM 0 HA THR A 2 17.157 13.899 -19.366 1.00 0.00 H new ATOM 0 HB THR A 2 16.799 12.838 -17.077 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.693 14.361 -15.320 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.888 13.800 -16.140 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.035 13.530 -17.893 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.758 15.172 -17.266 1.00 0.00 H new ATOM 27 N SER A 3 14.143 14.432 -18.060 1.00 0.00 N ATOM 28 CA SER A 3 12.705 14.032 -18.190 1.00 0.00 C ATOM 29 C SER A 3 12.561 12.522 -17.943 1.00 0.00 C ATOM 30 O SER A 3 12.106 11.778 -18.796 1.00 0.00 O ATOM 31 CB SER A 3 12.194 14.393 -19.592 1.00 0.00 C ATOM 32 OG SER A 3 12.120 15.808 -19.717 1.00 0.00 O ATOM 0 H SER A 3 14.322 15.159 -17.367 1.00 0.00 H new ATOM 0 HA SER A 3 12.111 14.567 -17.449 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.861 13.984 -20.351 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.212 13.950 -19.759 1.00 0.00 H new ATOM 0 HG SER A 3 11.796 16.041 -20.612 1.00 0.00 H new ATOM 38 N THR A 4 12.950 12.066 -16.774 1.00 0.00 N ATOM 39 CA THR A 4 12.846 10.608 -16.450 1.00 0.00 C ATOM 40 C THR A 4 11.997 10.427 -15.179 1.00 0.00 C ATOM 41 O THR A 4 12.319 9.635 -14.309 1.00 0.00 O ATOM 42 CB THR A 4 14.257 10.028 -16.235 1.00 0.00 C ATOM 43 OG1 THR A 4 15.154 10.565 -17.203 1.00 0.00 O ATOM 44 CG2 THR A 4 14.212 8.504 -16.374 1.00 0.00 C ATOM 0 H THR A 4 13.336 12.645 -16.028 1.00 0.00 H new ATOM 0 HA THR A 4 12.368 10.080 -17.275 1.00 0.00 H new ATOM 0 HB THR A 4 14.604 10.294 -15.236 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.050 10.194 -17.060 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.211 8.095 -16.222 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.533 8.091 -15.628 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.860 8.240 -17.371 1.00 0.00 H new ATOM 52 N LYS A 5 10.909 11.157 -15.073 1.00 0.00 N ATOM 53 CA LYS A 5 10.029 11.038 -13.871 1.00 0.00 C ATOM 54 C LYS A 5 8.629 10.587 -14.312 1.00 0.00 C ATOM 55 O LYS A 5 7.715 11.382 -14.436 1.00 0.00 O ATOM 56 CB LYS A 5 9.954 12.395 -13.160 1.00 0.00 C ATOM 57 CG LYS A 5 10.960 12.421 -12.005 1.00 0.00 C ATOM 58 CD LYS A 5 12.314 12.924 -12.513 1.00 0.00 C ATOM 59 CE LYS A 5 13.434 12.374 -11.624 1.00 0.00 C ATOM 60 NZ LYS A 5 13.761 10.978 -12.037 1.00 0.00 N ATOM 0 H LYS A 5 10.595 11.831 -15.771 1.00 0.00 H new ATOM 0 HA LYS A 5 10.438 10.300 -13.180 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.171 13.199 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.946 12.565 -12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.596 13.069 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.068 11.423 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.467 12.608 -13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.334 14.014 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.319 13.005 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.125 12.392 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.584 10.331 -11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.165 10.706 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.762 10.923 -12.312 1.00 0.00 H new ATOM 74 N LYS A 6 8.472 9.304 -14.544 1.00 0.00 N ATOM 75 CA LYS A 6 7.155 8.739 -14.979 1.00 0.00 C ATOM 76 C LYS A 6 7.073 7.290 -14.488 1.00 0.00 C ATOM 77 O LYS A 6 6.243 6.942 -13.668 1.00 0.00 O ATOM 78 CB LYS A 6 7.043 8.742 -16.514 1.00 0.00 C ATOM 79 CG LYS A 6 7.342 10.134 -17.075 1.00 0.00 C ATOM 80 CD LYS A 6 6.115 11.036 -16.898 1.00 0.00 C ATOM 81 CE LYS A 6 6.045 12.038 -18.054 1.00 0.00 C ATOM 82 NZ LYS A 6 4.795 12.843 -17.943 1.00 0.00 N ATOM 0 H LYS A 6 9.216 8.613 -14.448 1.00 0.00 H new ATOM 0 HA LYS A 6 6.349 9.345 -14.565 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.739 8.017 -16.936 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.041 8.432 -16.811 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.201 10.567 -16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.604 10.063 -18.131 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.208 10.432 -16.871 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.174 11.566 -15.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.915 12.694 -18.033 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.066 11.511 -19.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.749 13.523 -18.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.970 12.211 -17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.793 13.358 -17.039 1.00 0.00 H new ATOM 96 N LEU A 7 7.951 6.453 -14.989 1.00 0.00 N ATOM 97 CA LEU A 7 7.975 5.019 -14.574 1.00 0.00 C ATOM 98 C LEU A 7 9.436 4.563 -14.473 1.00 0.00 C ATOM 99 O LEU A 7 10.132 4.464 -15.469 1.00 0.00 O ATOM 100 CB LEU A 7 7.239 4.166 -15.616 1.00 0.00 C ATOM 101 CG LEU A 7 5.728 4.245 -15.377 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.988 3.846 -16.655 1.00 0.00 C ATOM 103 CD2 LEU A 7 5.338 3.289 -14.245 1.00 0.00 C ATOM 0 H LEU A 7 8.660 6.709 -15.676 1.00 0.00 H new ATOM 0 HA LEU A 7 7.481 4.903 -13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.476 4.517 -16.620 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.573 3.130 -15.553 1.00 0.00 H new ATOM 0 HG LEU A 7 5.458 5.265 -15.102 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.913 3.902 -16.485 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.264 4.525 -17.462 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.259 2.827 -16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.263 3.346 -14.075 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.609 2.270 -14.520 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.865 3.571 -13.333 1.00 0.00 H new ATOM 115 N HIS A 8 9.905 4.292 -13.278 1.00 0.00 N ATOM 116 CA HIS A 8 11.317 3.851 -13.106 1.00 0.00 C ATOM 117 C HIS A 8 11.395 2.794 -12.008 1.00 0.00 C ATOM 118 O HIS A 8 10.957 2.999 -10.890 1.00 0.00 O ATOM 119 CB HIS A 8 12.191 5.042 -12.723 1.00 0.00 C ATOM 120 CG HIS A 8 13.566 4.868 -13.306 1.00 0.00 C ATOM 121 ND1 HIS A 8 13.951 5.480 -14.489 1.00 0.00 N ATOM 122 CD2 HIS A 8 14.659 4.156 -12.879 1.00 0.00 C ATOM 123 CE1 HIS A 8 15.226 5.127 -14.731 1.00 0.00 C ATOM 124 NE2 HIS A 8 15.707 4.321 -13.780 1.00 0.00 N ATOM 0 H HIS A 8 9.366 4.359 -12.415 1.00 0.00 H new ATOM 0 HA HIS A 8 11.673 3.429 -14.046 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.744 5.966 -13.089 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.253 5.126 -11.638 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.700 3.558 -11.980 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.792 5.455 -15.590 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.641 3.914 -13.726 1.00 0.00 H new ATOM 132 N LYS A 9 11.959 1.670 -12.337 1.00 0.00 N ATOM 133 CA LYS A 9 12.100 0.552 -11.351 1.00 0.00 C ATOM 134 C LYS A 9 13.016 0.980 -10.198 1.00 0.00 C ATOM 135 O LYS A 9 13.995 1.679 -10.390 1.00 0.00 O ATOM 136 CB LYS A 9 12.693 -0.683 -12.042 1.00 0.00 C ATOM 137 CG LYS A 9 13.775 -0.258 -13.038 1.00 0.00 C ATOM 138 CD LYS A 9 14.778 -1.399 -13.230 1.00 0.00 C ATOM 139 CE LYS A 9 14.242 -2.389 -14.270 1.00 0.00 C ATOM 140 NZ LYS A 9 13.599 -3.544 -13.578 1.00 0.00 N ATOM 0 H LYS A 9 12.337 1.469 -13.263 1.00 0.00 H new ATOM 0 HA LYS A 9 11.114 0.307 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.117 -1.357 -11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.907 -1.233 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.320 0.004 -13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.288 0.632 -12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.739 -1.000 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.949 -1.909 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.520 -1.894 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.055 -2.740 -14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.358 -4.276 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.257 -3.938 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.733 -3.224 -13.099 1.00 0.00 H new ATOM 154 N GLU A 10 12.695 0.549 -9.005 1.00 0.00 N ATOM 155 CA GLU A 10 13.514 0.895 -7.807 1.00 0.00 C ATOM 156 C GLU A 10 13.183 -0.121 -6.714 1.00 0.00 C ATOM 157 O GLU A 10 12.053 -0.197 -6.279 1.00 0.00 O ATOM 158 CB GLU A 10 13.152 2.306 -7.322 1.00 0.00 C ATOM 159 CG GLU A 10 14.220 3.304 -7.782 1.00 0.00 C ATOM 160 CD GLU A 10 13.547 4.493 -8.476 1.00 0.00 C ATOM 161 OE1 GLU A 10 13.153 5.416 -7.781 1.00 0.00 O ATOM 162 OE2 GLU A 10 13.440 4.462 -9.692 1.00 0.00 O ATOM 0 H GLU A 10 11.885 -0.039 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 10 14.577 0.871 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.177 2.596 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.075 2.318 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.801 3.650 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.916 2.818 -8.465 1.00 0.00 H new ATOM 169 N PRO A 11 14.159 -0.898 -6.318 1.00 0.00 N ATOM 170 CA PRO A 11 13.952 -1.932 -5.294 1.00 0.00 C ATOM 171 C PRO A 11 13.352 -1.351 -4.014 1.00 0.00 C ATOM 172 O PRO A 11 13.673 -0.253 -3.590 1.00 0.00 O ATOM 173 CB PRO A 11 15.334 -2.531 -5.045 1.00 0.00 C ATOM 174 CG PRO A 11 16.285 -1.946 -6.113 1.00 0.00 C ATOM 175 CD PRO A 11 15.532 -0.823 -6.846 1.00 0.00 C ATOM 0 HA PRO A 11 13.239 -2.686 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.684 -2.286 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.300 -3.618 -5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.191 -1.558 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.594 -2.720 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.981 0.151 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.551 -0.971 -7.926 1.00 0.00 H new ATOM 183 N ALA A 12 12.470 -2.102 -3.414 1.00 0.00 N ATOM 184 CA ALA A 12 11.794 -1.664 -2.160 1.00 0.00 C ATOM 185 C ALA A 12 11.908 -2.784 -1.114 1.00 0.00 C ATOM 186 O ALA A 12 12.796 -3.616 -1.184 1.00 0.00 O ATOM 187 CB ALA A 12 10.323 -1.383 -2.471 1.00 0.00 C ATOM 0 H ALA A 12 12.183 -3.022 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 12 12.261 -0.761 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.814 -1.061 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.254 -0.597 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.851 -2.290 -2.849 1.00 0.00 H new ATOM 193 N THR A 13 11.014 -2.820 -0.155 1.00 0.00 N ATOM 194 CA THR A 13 11.064 -3.888 0.882 1.00 0.00 C ATOM 195 C THR A 13 9.635 -4.150 1.359 1.00 0.00 C ATOM 196 O THR A 13 9.084 -3.395 2.143 1.00 0.00 O ATOM 197 CB THR A 13 11.967 -3.449 2.051 1.00 0.00 C ATOM 198 OG1 THR A 13 11.906 -4.417 3.095 1.00 0.00 O ATOM 199 CG2 THR A 13 11.521 -2.083 2.584 1.00 0.00 C ATOM 0 H THR A 13 10.251 -2.151 -0.049 1.00 0.00 H new ATOM 0 HA THR A 13 11.486 -4.804 0.469 1.00 0.00 H new ATOM 0 HB THR A 13 12.993 -3.368 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.482 -4.136 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.168 -1.786 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.586 -1.342 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.491 -2.148 2.935 1.00 0.00 H new ATOM 207 N LEU A 14 9.028 -5.201 0.861 1.00 0.00 N ATOM 208 CA LEU A 14 7.620 -5.525 1.244 1.00 0.00 C ATOM 209 C LEU A 14 7.414 -5.361 2.751 1.00 0.00 C ATOM 210 O LEU A 14 8.073 -5.988 3.560 1.00 0.00 O ATOM 211 CB LEU A 14 7.237 -6.953 0.793 1.00 0.00 C ATOM 212 CG LEU A 14 8.040 -8.080 1.497 1.00 0.00 C ATOM 213 CD1 LEU A 14 9.502 -7.685 1.742 1.00 0.00 C ATOM 214 CD2 LEU A 14 7.372 -8.442 2.829 1.00 0.00 C ATOM 0 H LEU A 14 9.453 -5.852 0.201 1.00 0.00 H new ATOM 0 HA LEU A 14 6.964 -4.822 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.174 -7.108 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.386 -7.034 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 14 8.040 -8.944 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.023 -8.505 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.985 -7.470 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.538 -6.798 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.940 -9.233 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.345 -7.563 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.355 -8.787 2.644 1.00 0.00 H new ATOM 226 N ILE A 15 6.505 -4.503 3.131 1.00 0.00 N ATOM 227 CA ILE A 15 6.254 -4.291 4.582 1.00 0.00 C ATOM 228 C ILE A 15 5.074 -5.167 5.018 1.00 0.00 C ATOM 229 O ILE A 15 5.197 -5.973 5.922 1.00 0.00 O ATOM 230 CB ILE A 15 5.948 -2.812 4.861 1.00 0.00 C ATOM 231 CG1 ILE A 15 7.106 -1.941 4.354 1.00 0.00 C ATOM 232 CG2 ILE A 15 5.777 -2.599 6.368 1.00 0.00 C ATOM 233 CD1 ILE A 15 6.659 -0.479 4.279 1.00 0.00 C ATOM 0 H ILE A 15 5.929 -3.944 2.502 1.00 0.00 H new ATOM 0 HA ILE A 15 7.143 -4.568 5.148 1.00 0.00 H new ATOM 0 HB ILE A 15 5.029 -2.532 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.963 -2.035 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.428 -2.284 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.560 -1.549 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.954 -3.214 6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.696 -2.882 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.484 0.136 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.815 -0.391 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.359 -0.139 5.270 1.00 0.00 H new ATOM 245 N LYS A 16 3.936 -5.017 4.374 1.00 0.00 N ATOM 246 CA LYS A 16 2.741 -5.841 4.737 1.00 0.00 C ATOM 247 C LYS A 16 1.564 -5.473 3.827 1.00 0.00 C ATOM 248 O LYS A 16 1.199 -4.316 3.713 1.00 0.00 O ATOM 249 CB LYS A 16 2.351 -5.576 6.198 1.00 0.00 C ATOM 250 CG LYS A 16 2.035 -6.902 6.895 1.00 0.00 C ATOM 251 CD LYS A 16 0.549 -7.234 6.719 1.00 0.00 C ATOM 252 CE LYS A 16 0.332 -8.736 6.919 1.00 0.00 C ATOM 253 NZ LYS A 16 0.578 -9.453 5.634 1.00 0.00 N ATOM 0 H LYS A 16 3.787 -4.357 3.611 1.00 0.00 H new ATOM 0 HA LYS A 16 2.986 -6.896 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.164 -5.067 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.484 -4.916 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.648 -7.700 6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.280 -6.835 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.047 -6.671 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.215 -6.937 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.004 -9.111 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.685 -8.924 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.430 -10.473 5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.080 -9.102 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.556 -9.284 5.324 1.00 0.00 H new ATOM 267 N ALA A 17 0.960 -6.449 3.190 1.00 0.00 N ATOM 268 CA ALA A 17 -0.204 -6.160 2.298 1.00 0.00 C ATOM 269 C ALA A 17 -1.402 -5.778 3.165 1.00 0.00 C ATOM 270 O ALA A 17 -2.034 -6.615 3.789 1.00 0.00 O ATOM 271 CB ALA A 17 -0.536 -7.395 1.455 1.00 0.00 C ATOM 0 H ALA A 17 1.224 -7.432 3.251 1.00 0.00 H new ATOM 0 HA ALA A 17 0.040 -5.338 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.385 -7.176 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.327 -7.661 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.786 -8.228 2.112 1.00 0.00 H new ATOM 277 N ILE A 18 -1.697 -4.507 3.212 1.00 0.00 N ATOM 278 CA ILE A 18 -2.834 -4.004 4.034 1.00 0.00 C ATOM 279 C ILE A 18 -4.156 -4.577 3.498 1.00 0.00 C ATOM 280 O ILE A 18 -4.815 -5.354 4.164 1.00 0.00 O ATOM 281 CB ILE A 18 -2.839 -2.474 3.953 1.00 0.00 C ATOM 282 CG1 ILE A 18 -1.682 -1.914 4.792 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.165 -1.918 4.485 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.009 -0.762 4.039 1.00 0.00 C ATOM 0 H ILE A 18 -1.188 -3.783 2.705 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.725 -4.318 5.072 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.720 -2.176 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.054 -1.564 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.956 -2.700 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.155 -0.830 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.989 -2.309 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.295 -2.220 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.188 -0.367 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.622 -1.126 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.738 0.028 3.856 1.00 0.00 H new ATOM 296 N ASP A 19 -4.543 -4.195 2.301 1.00 0.00 N ATOM 297 CA ASP A 19 -5.814 -4.702 1.707 1.00 0.00 C ATOM 298 C ASP A 19 -5.907 -4.232 0.250 1.00 0.00 C ATOM 299 O ASP A 19 -4.994 -3.621 -0.274 1.00 0.00 O ATOM 300 CB ASP A 19 -7.004 -4.149 2.503 1.00 0.00 C ATOM 301 CG ASP A 19 -8.078 -5.230 2.645 1.00 0.00 C ATOM 302 OD1 ASP A 19 -7.929 -6.078 3.511 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.034 -5.192 1.886 1.00 0.00 O ATOM 0 H ASP A 19 -4.024 -3.547 1.709 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.831 -5.791 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.673 -3.820 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.418 -3.276 1.998 1.00 0.00 H new ATOM 308 N GLY A 20 -7.007 -4.503 -0.402 1.00 0.00 N ATOM 309 CA GLY A 20 -7.183 -4.072 -1.807 1.00 0.00 C ATOM 310 C GLY A 20 -7.109 -2.553 -1.868 1.00 0.00 C ATOM 311 O GLY A 20 -7.707 -1.863 -1.064 1.00 0.00 O ATOM 0 H GLY A 20 -7.798 -5.012 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.410 -4.513 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.143 -4.419 -2.191 1.00 0.00 H new ATOM 315 N ASP A 21 -6.357 -2.053 -2.816 1.00 0.00 N ATOM 316 CA ASP A 21 -6.171 -0.572 -3.007 1.00 0.00 C ATOM 317 C ASP A 21 -4.957 -0.087 -2.206 1.00 0.00 C ATOM 318 O ASP A 21 -4.339 0.902 -2.557 1.00 0.00 O ATOM 319 CB ASP A 21 -7.404 0.233 -2.545 1.00 0.00 C ATOM 320 CG ASP A 21 -8.728 -0.341 -3.110 1.00 0.00 C ATOM 321 OD1 ASP A 21 -8.688 -1.181 -4.000 1.00 0.00 O ATOM 322 OD2 ASP A 21 -9.768 0.080 -2.635 1.00 0.00 O ATOM 0 H ASP A 21 -5.846 -2.625 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.024 -0.407 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.447 0.234 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.297 1.271 -2.861 1.00 0.00 H new ATOM 327 N THR A 22 -4.625 -0.754 -1.123 1.00 0.00 N ATOM 328 CA THR A 22 -3.467 -0.309 -0.293 1.00 0.00 C ATOM 329 C THR A 22 -2.380 -1.390 -0.242 1.00 0.00 C ATOM 330 O THR A 22 -2.645 -2.568 -0.385 1.00 0.00 O ATOM 331 CB THR A 22 -3.945 -0.015 1.137 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.648 -1.144 1.651 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.863 1.209 1.135 1.00 0.00 C ATOM 0 H THR A 22 -5.108 -1.585 -0.782 1.00 0.00 H new ATOM 0 HA THR A 22 -3.048 0.590 -0.745 1.00 0.00 H new ATOM 0 HB THR A 22 -3.080 0.188 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.327 -0.843 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.199 1.413 2.152 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.318 2.072 0.753 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.727 1.015 0.499 1.00 0.00 H new ATOM 341 N VAL A 23 -1.158 -0.978 -0.015 1.00 0.00 N ATOM 342 CA VAL A 23 -0.017 -1.946 0.080 1.00 0.00 C ATOM 343 C VAL A 23 1.119 -1.285 0.868 1.00 0.00 C ATOM 344 O VAL A 23 1.635 -0.255 0.473 1.00 0.00 O ATOM 345 CB VAL A 23 0.486 -2.341 -1.321 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.334 -3.521 -1.851 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.353 -1.157 -2.285 1.00 0.00 C ATOM 0 H VAL A 23 -0.897 0.000 0.110 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.355 -2.850 0.586 1.00 0.00 H new ATOM 0 HB VAL A 23 1.535 -2.627 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.025 -3.797 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.227 -4.371 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.384 -3.236 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.712 -1.449 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.693 -0.859 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.946 -0.320 -1.917 1.00 0.00 H new ATOM 357 N LYS A 24 1.505 -1.863 1.982 1.00 0.00 N ATOM 358 CA LYS A 24 2.597 -1.259 2.801 1.00 0.00 C ATOM 359 C LYS A 24 3.951 -1.622 2.190 1.00 0.00 C ATOM 360 O LYS A 24 4.345 -2.775 2.160 1.00 0.00 O ATOM 361 CB LYS A 24 2.514 -1.774 4.241 1.00 0.00 C ATOM 362 CG LYS A 24 2.842 -0.636 5.209 1.00 0.00 C ATOM 363 CD LYS A 24 2.561 -1.087 6.645 1.00 0.00 C ATOM 364 CE LYS A 24 2.810 0.079 7.606 1.00 0.00 C ATOM 365 NZ LYS A 24 4.266 0.164 7.923 1.00 0.00 N ATOM 0 H LYS A 24 1.110 -2.726 2.356 1.00 0.00 H new ATOM 0 HA LYS A 24 2.487 -0.175 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.515 -2.161 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.211 -2.600 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.888 -0.347 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.244 0.243 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.531 -1.431 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.202 -1.929 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.470 1.012 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.236 -0.062 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.425 0.912 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.592 -0.747 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.797 0.386 7.057 1.00 0.00 H new ATOM 379 N LEU A 25 4.656 -0.637 1.693 1.00 0.00 N ATOM 380 CA LEU A 25 5.987 -0.889 1.069 1.00 0.00 C ATOM 381 C LEU A 25 6.805 0.409 1.072 1.00 0.00 C ATOM 382 O LEU A 25 6.262 1.499 1.020 1.00 0.00 O ATOM 383 CB LEU A 25 5.782 -1.367 -0.374 1.00 0.00 C ATOM 384 CG LEU A 25 7.137 -1.640 -1.036 1.00 0.00 C ATOM 385 CD1 LEU A 25 7.154 -3.059 -1.604 1.00 0.00 C ATOM 386 CD2 LEU A 25 7.361 -0.634 -2.169 1.00 0.00 C ATOM 0 H LEU A 25 4.362 0.340 1.694 1.00 0.00 H new ATOM 0 HA LEU A 25 6.522 -1.652 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.175 -2.273 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.237 -0.613 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 25 7.930 -1.538 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.118 -3.251 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.994 -3.775 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.362 -3.164 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.324 -0.826 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.567 -0.737 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.351 0.378 -1.764 1.00 0.00 H new ATOM 398 N MET A 26 8.107 0.295 1.130 1.00 0.00 N ATOM 399 CA MET A 26 8.974 1.509 1.127 1.00 0.00 C ATOM 400 C MET A 26 10.174 1.269 0.211 1.00 0.00 C ATOM 401 O MET A 26 10.649 0.154 0.079 1.00 0.00 O ATOM 402 CB MET A 26 9.464 1.803 2.550 1.00 0.00 C ATOM 403 CG MET A 26 10.200 0.589 3.121 1.00 0.00 C ATOM 404 SD MET A 26 10.933 1.026 4.717 1.00 0.00 S ATOM 405 CE MET A 26 9.764 0.124 5.763 1.00 0.00 C ATOM 0 H MET A 26 8.608 -0.592 1.180 1.00 0.00 H new ATOM 0 HA MET A 26 8.401 2.362 0.765 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.127 2.668 2.542 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.617 2.057 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.509 -0.245 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.976 0.262 2.429 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.044 0.244 6.809 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.759 0.518 5.609 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.783 -0.934 5.501 1.00 0.00 H new ATOM 415 N TYR A 27 10.682 2.307 -0.409 1.00 0.00 N ATOM 416 CA TYR A 27 11.873 2.134 -1.305 1.00 0.00 C ATOM 417 C TYR A 27 13.143 2.263 -0.454 1.00 0.00 C ATOM 418 O TYR A 27 14.076 2.970 -0.797 1.00 0.00 O ATOM 419 CB TYR A 27 11.884 3.171 -2.455 1.00 0.00 C ATOM 420 CG TYR A 27 10.751 4.167 -2.318 1.00 0.00 C ATOM 421 CD1 TYR A 27 10.941 5.340 -1.579 1.00 0.00 C ATOM 422 CD2 TYR A 27 9.516 3.916 -2.930 1.00 0.00 C ATOM 423 CE1 TYR A 27 9.899 6.263 -1.451 1.00 0.00 C ATOM 424 CE2 TYR A 27 8.472 4.840 -2.802 1.00 0.00 C ATOM 425 CZ TYR A 27 8.664 6.015 -2.062 1.00 0.00 C ATOM 426 OH TYR A 27 7.637 6.927 -1.935 1.00 0.00 O ATOM 0 H TYR A 27 10.328 3.261 -0.336 1.00 0.00 H new ATOM 0 HA TYR A 27 11.826 1.149 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.837 3.701 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.802 2.655 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.893 5.532 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.369 3.010 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.047 7.168 -0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.519 4.648 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 27 7.481 7.366 -2.797 1.00 0.00 H new ATOM 436 N LYS A 28 13.169 1.569 0.663 1.00 0.00 N ATOM 437 CA LYS A 28 14.346 1.607 1.584 1.00 0.00 C ATOM 438 C LYS A 28 14.659 3.056 1.966 1.00 0.00 C ATOM 439 O LYS A 28 15.728 3.577 1.697 1.00 0.00 O ATOM 440 CB LYS A 28 15.560 0.950 0.913 1.00 0.00 C ATOM 441 CG LYS A 28 15.413 -0.575 0.959 1.00 0.00 C ATOM 442 CD LYS A 28 14.697 -1.063 -0.304 1.00 0.00 C ATOM 443 CE LYS A 28 15.718 -1.658 -1.279 1.00 0.00 C ATOM 444 NZ LYS A 28 16.265 -0.581 -2.153 1.00 0.00 N ATOM 0 H LYS A 28 12.407 0.968 0.977 1.00 0.00 H new ATOM 0 HA LYS A 28 14.111 1.050 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.643 1.286 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.476 1.252 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.395 -1.042 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.850 -0.869 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.949 -1.812 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.168 -0.235 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.526 -2.137 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.247 -2.430 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.970 -0.985 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.492 -0.154 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.715 0.149 -1.564 1.00 0.00 H new ATOM 458 N GLY A 29 13.717 3.700 2.600 1.00 0.00 N ATOM 459 CA GLY A 29 13.915 5.117 3.025 1.00 0.00 C ATOM 460 C GLY A 29 12.758 5.559 3.927 1.00 0.00 C ATOM 461 O GLY A 29 12.955 6.290 4.880 1.00 0.00 O ATOM 0 H GLY A 29 12.810 3.302 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.861 5.217 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.972 5.764 2.149 1.00 0.00 H new ATOM 465 N GLN A 30 11.552 5.126 3.628 1.00 0.00 N ATOM 466 CA GLN A 30 10.377 5.528 4.468 1.00 0.00 C ATOM 467 C GLN A 30 9.193 4.575 4.221 1.00 0.00 C ATOM 468 O GLN A 30 8.773 4.405 3.092 1.00 0.00 O ATOM 469 CB GLN A 30 9.959 6.965 4.119 1.00 0.00 C ATOM 470 CG GLN A 30 9.925 7.151 2.596 1.00 0.00 C ATOM 471 CD GLN A 30 9.512 8.587 2.260 1.00 0.00 C ATOM 472 OE1 GLN A 30 8.405 8.798 1.600 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 10.205 9.527 2.599 1.00 0.00 N flip ATOM 0 H GLN A 30 11.333 4.514 2.842 1.00 0.00 H new ATOM 0 HA GLN A 30 10.662 5.475 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.977 7.179 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.658 7.673 4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.906 6.936 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.223 6.447 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.070 9.363 3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.921 10.479 2.368 1.00 0.00 H new ATOM 482 N PRO A 31 8.677 3.998 5.292 1.00 0.00 N ATOM 483 CA PRO A 31 7.526 3.070 5.215 1.00 0.00 C ATOM 484 C PRO A 31 6.327 3.792 4.585 1.00 0.00 C ATOM 485 O PRO A 31 5.793 4.731 5.152 1.00 0.00 O ATOM 486 CB PRO A 31 7.233 2.680 6.672 1.00 0.00 C ATOM 487 CG PRO A 31 8.280 3.392 7.568 1.00 0.00 C ATOM 488 CD PRO A 31 9.194 4.224 6.655 1.00 0.00 C ATOM 0 HA PRO A 31 7.728 2.192 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.223 2.978 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.293 1.599 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.785 4.032 8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.863 2.661 8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.161 5.281 6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.233 3.906 6.741 1.00 0.00 H new ATOM 496 N MET A 32 5.922 3.382 3.404 1.00 0.00 N ATOM 497 CA MET A 32 4.780 4.069 2.721 1.00 0.00 C ATOM 498 C MET A 32 3.647 3.085 2.386 1.00 0.00 C ATOM 499 O MET A 32 3.696 1.912 2.710 1.00 0.00 O ATOM 500 CB MET A 32 5.293 4.711 1.427 1.00 0.00 C ATOM 501 CG MET A 32 6.160 5.927 1.765 1.00 0.00 C ATOM 502 SD MET A 32 5.112 7.260 2.399 1.00 0.00 S ATOM 503 CE MET A 32 6.137 7.702 3.824 1.00 0.00 C ATOM 0 H MET A 32 6.332 2.604 2.887 1.00 0.00 H new ATOM 0 HA MET A 32 4.379 4.826 3.395 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.872 3.987 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.453 5.013 0.801 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.911 5.656 2.507 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.696 6.263 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.497 8.017 4.648 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.725 6.837 4.131 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.807 8.518 3.552 1.00 0.00 H new ATOM 513 N THR A 33 2.633 3.584 1.717 1.00 0.00 N ATOM 514 CA THR A 33 1.467 2.758 1.301 1.00 0.00 C ATOM 515 C THR A 33 1.112 3.214 -0.111 1.00 0.00 C ATOM 516 O THR A 33 1.059 4.402 -0.384 1.00 0.00 O ATOM 517 CB THR A 33 0.280 2.985 2.245 1.00 0.00 C ATOM 518 OG1 THR A 33 0.745 3.158 3.579 1.00 0.00 O ATOM 519 CG2 THR A 33 -0.657 1.777 2.187 1.00 0.00 C ATOM 0 H THR A 33 2.570 4.563 1.436 1.00 0.00 H new ATOM 0 HA THR A 33 1.704 1.695 1.333 1.00 0.00 H new ATOM 0 HB THR A 33 -0.256 3.881 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.019 3.304 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.501 1.938 2.858 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.023 1.649 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.116 0.882 2.493 1.00 0.00 H new ATOM 527 N PHE A 34 0.931 2.304 -1.026 1.00 0.00 N ATOM 528 CA PHE A 34 0.658 2.726 -2.431 1.00 0.00 C ATOM 529 C PHE A 34 -0.826 2.597 -2.805 1.00 0.00 C ATOM 530 O PHE A 34 -1.490 1.630 -2.475 1.00 0.00 O ATOM 531 CB PHE A 34 1.511 1.875 -3.361 1.00 0.00 C ATOM 532 CG PHE A 34 2.973 2.103 -3.052 1.00 0.00 C ATOM 533 CD1 PHE A 34 3.573 1.448 -1.969 1.00 0.00 C ATOM 534 CD2 PHE A 34 3.728 2.970 -3.846 1.00 0.00 C ATOM 535 CE1 PHE A 34 4.925 1.663 -1.685 1.00 0.00 C ATOM 536 CE2 PHE A 34 5.081 3.183 -3.563 1.00 0.00 C ATOM 537 CZ PHE A 34 5.680 2.530 -2.482 1.00 0.00 C ATOM 0 H PHE A 34 0.959 1.297 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 34 0.912 3.781 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.262 0.821 -3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.303 2.132 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.992 0.777 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.266 3.477 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.387 1.159 -0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.663 3.852 -4.180 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.725 2.695 -2.262 1.00 0.00 H new ATOM 547 N ARG A 35 -1.323 3.583 -3.522 1.00 0.00 N ATOM 548 CA ARG A 35 -2.746 3.591 -3.984 1.00 0.00 C ATOM 549 C ARG A 35 -2.800 4.324 -5.328 1.00 0.00 C ATOM 550 O ARG A 35 -2.258 5.400 -5.481 1.00 0.00 O ATOM 551 CB ARG A 35 -3.629 4.313 -2.963 1.00 0.00 C ATOM 552 CG ARG A 35 -4.927 4.774 -3.631 1.00 0.00 C ATOM 553 CD ARG A 35 -5.965 5.147 -2.569 1.00 0.00 C ATOM 554 NE ARG A 35 -6.375 3.918 -1.820 1.00 0.00 N ATOM 555 CZ ARG A 35 -7.092 4.013 -0.725 1.00 0.00 C ATOM 556 NH1 ARG A 35 -6.949 5.039 0.077 1.00 0.00 N ATOM 557 NH2 ARG A 35 -7.958 3.077 -0.433 1.00 0.00 N ATOM 0 H ARG A 35 -0.785 4.400 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.112 2.570 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.855 3.648 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.097 5.171 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.729 5.632 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.318 3.981 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.549 5.883 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.834 5.606 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.095 2.999 -2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.276 5.772 -0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.510 5.105 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.074 2.277 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.517 3.147 0.417 1.00 0.00 H new ATOM 571 N LEU A 36 -3.425 3.731 -6.305 1.00 0.00 N ATOM 572 CA LEU A 36 -3.495 4.362 -7.665 1.00 0.00 C ATOM 573 C LEU A 36 -4.482 3.559 -8.536 1.00 0.00 C ATOM 574 O LEU A 36 -5.673 3.600 -8.306 1.00 0.00 O ATOM 575 CB LEU A 36 -2.080 4.370 -8.280 1.00 0.00 C ATOM 576 CG LEU A 36 -1.386 3.010 -8.060 1.00 0.00 C ATOM 577 CD1 LEU A 36 -0.284 2.835 -9.095 1.00 0.00 C ATOM 578 CD2 LEU A 36 -0.766 2.939 -6.661 1.00 0.00 C ATOM 0 H LEU A 36 -3.896 2.830 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.851 5.390 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.142 4.584 -9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.486 5.165 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.131 2.220 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.209 1.875 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.716 2.867 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.445 3.638 -8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.282 1.972 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.028 3.733 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.547 3.061 -5.910 1.00 0.00 H new ATOM 590 N LEU A 37 -4.013 2.796 -9.501 1.00 0.00 N ATOM 591 CA LEU A 37 -4.955 1.966 -10.308 1.00 0.00 C ATOM 592 C LEU A 37 -5.301 0.737 -9.458 1.00 0.00 C ATOM 593 O LEU A 37 -6.356 0.145 -9.595 1.00 0.00 O ATOM 594 CB LEU A 37 -4.292 1.525 -11.617 1.00 0.00 C ATOM 595 CG LEU A 37 -4.701 2.463 -12.763 1.00 0.00 C ATOM 596 CD1 LEU A 37 -6.184 2.267 -13.086 1.00 0.00 C ATOM 597 CD2 LEU A 37 -4.455 3.922 -12.358 1.00 0.00 C ATOM 0 H LEU A 37 -3.029 2.716 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.849 2.534 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.208 1.530 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.583 0.502 -11.854 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.103 2.229 -13.644 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.470 2.934 -13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.358 1.234 -13.386 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.782 2.494 -12.203 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.747 4.581 -13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.045 4.158 -11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.397 4.065 -12.137 1.00 0.00 H new ATOM 609 N LEU A 38 -4.410 0.385 -8.548 1.00 0.00 N ATOM 610 CA LEU A 38 -4.643 -0.763 -7.628 1.00 0.00 C ATOM 611 C LEU A 38 -5.896 -0.484 -6.795 1.00 0.00 C ATOM 612 O LEU A 38 -6.629 -1.389 -6.440 1.00 0.00 O ATOM 613 CB LEU A 38 -3.443 -0.888 -6.677 1.00 0.00 C ATOM 614 CG LEU A 38 -2.402 -1.853 -7.253 1.00 0.00 C ATOM 615 CD1 LEU A 38 -1.994 -1.404 -8.659 1.00 0.00 C ATOM 616 CD2 LEU A 38 -1.169 -1.858 -6.344 1.00 0.00 C ATOM 0 H LEU A 38 -3.518 0.861 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.768 -1.681 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.992 0.092 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.779 -1.244 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.829 -2.855 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.254 -2.095 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.871 -1.394 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.567 -0.402 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.423 -2.543 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.750 -0.853 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.456 -2.182 -5.344 1.00 0.00 H new ATOM 628 N VAL A 39 -6.138 0.773 -6.481 1.00 0.00 N ATOM 629 CA VAL A 39 -7.340 1.121 -5.667 1.00 0.00 C ATOM 630 C VAL A 39 -8.581 1.158 -6.569 1.00 0.00 C ATOM 631 O VAL A 39 -8.787 2.072 -7.347 1.00 0.00 O ATOM 632 CB VAL A 39 -7.139 2.465 -4.931 1.00 0.00 C ATOM 633 CG1 VAL A 39 -6.820 3.588 -5.918 1.00 0.00 C ATOM 634 CG2 VAL A 39 -8.416 2.825 -4.163 1.00 0.00 C ATOM 0 H VAL A 39 -5.555 1.564 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.487 0.355 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.302 2.354 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.683 4.523 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.906 3.347 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.643 3.696 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.274 3.773 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.248 2.915 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.636 2.043 -3.436 1.00 0.00 H new ATOM 644 N ASP A 40 -9.403 0.148 -6.458 1.00 0.00 N ATOM 645 CA ASP A 40 -10.646 0.069 -7.287 1.00 0.00 C ATOM 646 C ASP A 40 -11.729 0.969 -6.676 1.00 0.00 C ATOM 647 O ASP A 40 -12.541 1.537 -7.385 1.00 0.00 O ATOM 648 CB ASP A 40 -11.151 -1.382 -7.323 1.00 0.00 C ATOM 649 CG ASP A 40 -9.992 -2.334 -7.648 1.00 0.00 C ATOM 650 OD1 ASP A 40 -9.680 -2.482 -8.820 1.00 0.00 O ATOM 651 OD2 ASP A 40 -9.438 -2.903 -6.720 1.00 0.00 O ATOM 0 H ASP A 40 -9.266 -0.636 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.424 0.402 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.591 -1.646 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.937 -1.484 -8.072 1.00 0.00 H new ATOM 656 N THR A 41 -11.742 1.107 -5.367 1.00 0.00 N ATOM 657 CA THR A 41 -12.761 1.969 -4.701 1.00 0.00 C ATOM 658 C THR A 41 -12.329 3.443 -4.816 1.00 0.00 C ATOM 659 O THR A 41 -11.175 3.766 -4.592 1.00 0.00 O ATOM 660 CB THR A 41 -12.865 1.553 -3.224 1.00 0.00 C ATOM 661 OG1 THR A 41 -13.742 0.441 -3.109 1.00 0.00 O ATOM 662 CG2 THR A 41 -13.400 2.710 -2.380 1.00 0.00 C ATOM 0 H THR A 41 -11.084 0.654 -4.733 1.00 0.00 H new ATOM 0 HA THR A 41 -13.734 1.851 -5.178 1.00 0.00 H new ATOM 0 HB THR A 41 -11.873 1.283 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.809 0.173 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.468 2.399 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.725 3.562 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.389 2.995 -2.738 1.00 0.00 H new ATOM 670 N PRO A 42 -13.273 4.295 -5.166 1.00 0.00 N ATOM 671 CA PRO A 42 -13.017 5.746 -5.321 1.00 0.00 C ATOM 672 C PRO A 42 -12.537 6.364 -3.998 1.00 0.00 C ATOM 673 O PRO A 42 -12.640 5.762 -2.943 1.00 0.00 O ATOM 674 CB PRO A 42 -14.371 6.341 -5.732 1.00 0.00 C ATOM 675 CG PRO A 42 -15.399 5.183 -5.793 1.00 0.00 C ATOM 676 CD PRO A 42 -14.664 3.882 -5.432 1.00 0.00 C ATOM 0 HA PRO A 42 -12.236 5.946 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.690 7.097 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.293 6.834 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -16.219 5.364 -5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.835 5.111 -6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -15.109 3.406 -4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.713 3.161 -6.248 1.00 0.00 H new ATOM 684 N GLU A 43 -12.017 7.570 -4.052 1.00 0.00 N ATOM 685 CA GLU A 43 -11.528 8.245 -2.808 1.00 0.00 C ATOM 686 C GLU A 43 -12.645 9.130 -2.224 1.00 0.00 C ATOM 687 O GLU A 43 -12.389 10.188 -1.674 1.00 0.00 O ATOM 688 CB GLU A 43 -10.302 9.105 -3.145 1.00 0.00 C ATOM 689 CG GLU A 43 -9.158 8.209 -3.638 1.00 0.00 C ATOM 690 CD GLU A 43 -8.414 7.610 -2.438 1.00 0.00 C ATOM 691 OE1 GLU A 43 -8.852 6.582 -1.946 1.00 0.00 O ATOM 692 OE2 GLU A 43 -7.418 8.188 -2.035 1.00 0.00 O ATOM 0 H GLU A 43 -11.911 8.116 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.250 7.493 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.559 9.837 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.985 9.664 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.553 7.412 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.469 8.788 -4.253 1.00 0.00 H new ATOM 699 N THR A 44 -13.881 8.696 -2.335 1.00 0.00 N ATOM 700 CA THR A 44 -15.027 9.492 -1.791 1.00 0.00 C ATOM 701 C THR A 44 -16.095 8.539 -1.231 1.00 0.00 C ATOM 702 O THR A 44 -15.967 7.329 -1.315 1.00 0.00 O ATOM 703 CB THR A 44 -15.642 10.347 -2.912 1.00 0.00 C ATOM 704 OG1 THR A 44 -15.887 9.536 -4.057 1.00 0.00 O ATOM 705 CG2 THR A 44 -14.682 11.479 -3.285 1.00 0.00 C ATOM 0 H THR A 44 -14.145 7.818 -2.783 1.00 0.00 H new ATOM 0 HA THR A 44 -14.667 10.144 -0.995 1.00 0.00 H new ATOM 0 HB THR A 44 -16.583 10.771 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.280 10.084 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.122 12.082 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.501 12.105 -2.412 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.738 11.057 -3.630 1.00 0.00 H new ATOM 713 N LYS A 45 -17.150 9.079 -0.666 1.00 0.00 N ATOM 714 CA LYS A 45 -18.233 8.215 -0.103 1.00 0.00 C ATOM 715 C LYS A 45 -19.136 7.731 -1.245 1.00 0.00 C ATOM 716 O LYS A 45 -19.848 8.508 -1.857 1.00 0.00 O ATOM 717 CB LYS A 45 -19.063 9.017 0.908 1.00 0.00 C ATOM 718 CG LYS A 45 -18.225 9.291 2.161 1.00 0.00 C ATOM 719 CD LYS A 45 -18.255 8.066 3.078 1.00 0.00 C ATOM 720 CE LYS A 45 -16.968 8.014 3.907 1.00 0.00 C ATOM 721 NZ LYS A 45 -16.954 6.774 4.735 1.00 0.00 N ATOM 0 H LYS A 45 -17.306 10.083 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.790 7.357 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -19.387 9.958 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.963 8.464 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.198 9.522 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.615 10.162 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.122 8.113 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.354 7.157 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.099 8.034 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.902 8.892 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.079 6.741 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.775 6.773 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.998 5.941 4.114 1.00 0.00 H new ATOM 735 N HIS A 46 -19.102 6.451 -1.538 1.00 0.00 N ATOM 736 CA HIS A 46 -19.947 5.901 -2.643 1.00 0.00 C ATOM 737 C HIS A 46 -20.853 4.779 -2.105 1.00 0.00 C ATOM 738 O HIS A 46 -20.457 4.031 -1.228 1.00 0.00 O ATOM 739 CB HIS A 46 -19.044 5.353 -3.760 1.00 0.00 C ATOM 740 CG HIS A 46 -18.195 4.221 -3.237 1.00 0.00 C ATOM 741 ND1 HIS A 46 -18.602 2.898 -3.309 1.00 0.00 N ATOM 742 CD2 HIS A 46 -16.964 4.202 -2.630 1.00 0.00 C ATOM 743 CE1 HIS A 46 -17.630 2.145 -2.760 1.00 0.00 C ATOM 744 NE2 HIS A 46 -16.610 2.890 -2.330 1.00 0.00 N ATOM 0 H HIS A 46 -18.523 5.763 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.573 6.698 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.655 5.004 -4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -18.405 6.148 -4.144 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.478 2.557 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -16.362 5.073 -2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.671 1.069 -2.678 1.00 0.00 H new ATOM 752 N PRO A 47 -22.047 4.698 -2.655 1.00 0.00 N ATOM 753 CA PRO A 47 -23.040 3.676 -2.256 1.00 0.00 C ATOM 754 C PRO A 47 -22.532 2.266 -2.594 1.00 0.00 C ATOM 755 O PRO A 47 -21.819 2.068 -3.563 1.00 0.00 O ATOM 756 CB PRO A 47 -24.293 4.004 -3.079 1.00 0.00 C ATOM 757 CG PRO A 47 -23.954 5.201 -4.003 1.00 0.00 C ATOM 758 CD PRO A 47 -22.505 5.621 -3.711 1.00 0.00 C ATOM 0 HA PRO A 47 -23.234 3.690 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -24.599 3.140 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.127 4.253 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -24.067 4.920 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -24.637 6.031 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.883 5.541 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.454 6.658 -3.379 1.00 0.00 H new ATOM 766 N LYS A 48 -22.902 1.288 -1.800 1.00 0.00 N ATOM 767 CA LYS A 48 -22.456 -0.117 -2.060 1.00 0.00 C ATOM 768 C LYS A 48 -23.610 -1.088 -1.771 1.00 0.00 C ATOM 769 O LYS A 48 -24.470 -0.818 -0.950 1.00 0.00 O ATOM 770 CB LYS A 48 -21.257 -0.455 -1.163 1.00 0.00 C ATOM 771 CG LYS A 48 -21.623 -0.235 0.310 1.00 0.00 C ATOM 772 CD LYS A 48 -20.381 -0.439 1.183 1.00 0.00 C ATOM 773 CE LYS A 48 -19.537 0.838 1.183 1.00 0.00 C ATOM 774 NZ LYS A 48 -18.374 0.668 2.099 1.00 0.00 N ATOM 0 H LYS A 48 -23.497 1.404 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 48 -22.160 -0.212 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.956 -1.491 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.405 0.169 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -22.018 0.771 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.408 -0.930 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.677 -0.691 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.793 -1.276 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.189 1.056 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.143 1.686 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.802 1.536 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.716 0.480 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.792 -0.131 1.776 1.00 0.00 H new ATOM 788 N LYS A 49 -23.630 -2.215 -2.444 1.00 0.00 N ATOM 789 CA LYS A 49 -24.722 -3.213 -2.222 1.00 0.00 C ATOM 790 C LYS A 49 -24.196 -4.376 -1.361 1.00 0.00 C ATOM 791 O LYS A 49 -24.406 -5.537 -1.670 1.00 0.00 O ATOM 792 CB LYS A 49 -25.208 -3.742 -3.578 1.00 0.00 C ATOM 793 CG LYS A 49 -25.999 -2.648 -4.302 1.00 0.00 C ATOM 794 CD LYS A 49 -26.863 -3.279 -5.398 1.00 0.00 C ATOM 795 CE LYS A 49 -26.022 -3.485 -6.662 1.00 0.00 C ATOM 796 NZ LYS A 49 -26.604 -4.592 -7.475 1.00 0.00 N ATOM 0 H LYS A 49 -22.934 -2.486 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.553 -2.737 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -24.357 -4.052 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.834 -4.622 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.629 -2.111 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.316 -1.919 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.262 -4.234 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -27.716 -2.637 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -25.995 -2.566 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -24.993 -3.721 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -26.032 -4.731 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -26.607 -5.469 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.579 -4.349 -7.744 1.00 0.00 H new ATOM 810 N GLY A 50 -23.518 -4.067 -0.278 1.00 0.00 N ATOM 811 CA GLY A 50 -22.977 -5.140 0.613 1.00 0.00 C ATOM 812 C GLY A 50 -21.674 -5.691 0.026 1.00 0.00 C ATOM 813 O GLY A 50 -21.682 -6.381 -0.977 1.00 0.00 O ATOM 0 H GLY A 50 -23.317 -3.114 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.797 -4.741 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.708 -5.942 0.717 1.00 0.00 H new ATOM 817 N VAL A 51 -20.558 -5.393 0.651 1.00 0.00 N ATOM 818 CA VAL A 51 -19.245 -5.895 0.145 1.00 0.00 C ATOM 819 C VAL A 51 -18.579 -6.748 1.229 1.00 0.00 C ATOM 820 O VAL A 51 -18.227 -6.259 2.289 1.00 0.00 O ATOM 821 CB VAL A 51 -18.337 -4.717 -0.214 1.00 0.00 C ATOM 822 CG1 VAL A 51 -17.125 -5.223 -1.001 1.00 0.00 C ATOM 823 CG2 VAL A 51 -19.109 -3.704 -1.067 1.00 0.00 C ATOM 0 H VAL A 51 -20.503 -4.821 1.494 1.00 0.00 H new ATOM 0 HA VAL A 51 -19.409 -6.499 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.002 -4.234 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.480 -4.382 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -16.569 -5.936 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.463 -5.711 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -18.456 -2.868 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -19.452 -4.186 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -19.969 -3.337 -0.507 1.00 0.00 H new ATOM 833 N GLU A 52 -18.406 -8.020 0.966 1.00 0.00 N ATOM 834 CA GLU A 52 -17.765 -8.928 1.968 1.00 0.00 C ATOM 835 C GLU A 52 -16.446 -9.480 1.399 1.00 0.00 C ATOM 836 O GLU A 52 -16.085 -10.620 1.636 1.00 0.00 O ATOM 837 CB GLU A 52 -18.725 -10.081 2.285 1.00 0.00 C ATOM 838 CG GLU A 52 -18.514 -10.543 3.731 1.00 0.00 C ATOM 839 CD GLU A 52 -19.154 -11.921 3.931 1.00 0.00 C ATOM 840 OE1 GLU A 52 -18.473 -12.908 3.705 1.00 0.00 O ATOM 841 OE2 GLU A 52 -20.314 -11.966 4.310 1.00 0.00 O ATOM 0 H GLU A 52 -18.683 -8.471 0.094 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.548 -8.375 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.756 -9.758 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.553 -10.910 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.449 -10.590 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.954 -9.823 4.421 1.00 0.00 H new ATOM 848 N LYS A 53 -15.723 -8.674 0.654 1.00 0.00 N ATOM 849 CA LYS A 53 -14.426 -9.134 0.066 1.00 0.00 C ATOM 850 C LYS A 53 -13.403 -7.990 0.098 1.00 0.00 C ATOM 851 O LYS A 53 -13.748 -6.839 0.306 1.00 0.00 O ATOM 852 CB LYS A 53 -14.651 -9.580 -1.384 1.00 0.00 C ATOM 853 CG LYS A 53 -15.264 -10.983 -1.398 1.00 0.00 C ATOM 854 CD LYS A 53 -15.080 -11.609 -2.781 1.00 0.00 C ATOM 855 CE LYS A 53 -15.871 -12.917 -2.862 1.00 0.00 C ATOM 856 NZ LYS A 53 -15.697 -13.523 -4.214 1.00 0.00 N ATOM 0 H LYS A 53 -15.979 -7.713 0.428 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.045 -9.971 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.311 -8.878 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.706 -9.579 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.789 -11.606 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.324 -10.930 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.420 -10.918 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.023 -11.799 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.527 -13.610 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.927 -12.728 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.235 -14.412 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.046 -12.863 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.689 -13.718 -4.380 1.00 0.00 H new ATOM 870 N TYR A 54 -12.144 -8.303 -0.106 1.00 0.00 N ATOM 871 CA TYR A 54 -11.083 -7.247 -0.089 1.00 0.00 C ATOM 872 C TYR A 54 -11.072 -6.508 -1.433 1.00 0.00 C ATOM 873 O TYR A 54 -11.268 -5.308 -1.488 1.00 0.00 O ATOM 874 CB TYR A 54 -9.712 -7.892 0.156 1.00 0.00 C ATOM 875 CG TYR A 54 -9.745 -8.702 1.434 1.00 0.00 C ATOM 876 CD1 TYR A 54 -10.175 -8.114 2.631 1.00 0.00 C ATOM 877 CD2 TYR A 54 -9.343 -10.044 1.421 1.00 0.00 C ATOM 878 CE1 TYR A 54 -10.204 -8.865 3.810 1.00 0.00 C ATOM 879 CE2 TYR A 54 -9.372 -10.795 2.602 1.00 0.00 C ATOM 880 CZ TYR A 54 -9.802 -10.206 3.796 1.00 0.00 C ATOM 881 OH TYR A 54 -9.830 -10.947 4.960 1.00 0.00 O ATOM 0 H TYR A 54 -11.806 -9.249 -0.284 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.294 -6.539 0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.447 -8.533 -0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.944 -7.121 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.484 -7.079 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.011 -10.499 0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.537 -8.411 4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.062 -11.830 2.591 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.521 -11.858 4.775 1.00 0.00 H new ATOM 891 N GLY A 55 -10.848 -7.220 -2.515 1.00 0.00 N ATOM 892 CA GLY A 55 -10.826 -6.570 -3.861 1.00 0.00 C ATOM 893 C GLY A 55 -10.323 -7.572 -4.912 1.00 0.00 C ATOM 894 O GLY A 55 -9.252 -7.401 -5.453 1.00 0.00 O ATOM 0 H GLY A 55 -10.679 -8.226 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.825 -6.223 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.179 -5.693 -3.842 1.00 0.00 H new ATOM 898 N PRO A 56 -11.109 -8.596 -5.162 1.00 0.00 N ATOM 899 CA PRO A 56 -10.753 -9.649 -6.138 1.00 0.00 C ATOM 900 C PRO A 56 -10.625 -9.082 -7.560 1.00 0.00 C ATOM 901 O PRO A 56 -9.822 -9.559 -8.339 1.00 0.00 O ATOM 902 CB PRO A 56 -11.905 -10.652 -6.073 1.00 0.00 C ATOM 903 CG PRO A 56 -12.948 -10.112 -5.062 1.00 0.00 C ATOM 904 CD PRO A 56 -12.411 -8.789 -4.498 1.00 0.00 C ATOM 0 HA PRO A 56 -9.789 -10.099 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.357 -10.779 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.542 -11.631 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.910 -9.957 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.111 -10.832 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.090 -7.964 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.299 -8.837 -3.415 1.00 0.00 H new ATOM 912 N GLU A 57 -11.420 -8.087 -7.900 1.00 0.00 N ATOM 913 CA GLU A 57 -11.367 -7.485 -9.278 1.00 0.00 C ATOM 914 C GLU A 57 -9.907 -7.351 -9.742 1.00 0.00 C ATOM 915 O GLU A 57 -9.494 -7.991 -10.692 1.00 0.00 O ATOM 916 CB GLU A 57 -12.049 -6.103 -9.283 1.00 0.00 C ATOM 917 CG GLU A 57 -11.753 -5.345 -7.977 1.00 0.00 C ATOM 918 CD GLU A 57 -13.050 -5.134 -7.190 1.00 0.00 C ATOM 919 OE1 GLU A 57 -13.415 -6.024 -6.438 1.00 0.00 O ATOM 920 OE2 GLU A 57 -13.654 -4.085 -7.349 1.00 0.00 O ATOM 0 H GLU A 57 -12.108 -7.664 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.898 -8.143 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.697 -5.521 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.126 -6.224 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.039 -5.907 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.293 -4.383 -8.201 1.00 0.00 H new ATOM 927 N ALA A 58 -9.127 -6.532 -9.076 1.00 0.00 N ATOM 928 CA ALA A 58 -7.692 -6.360 -9.465 1.00 0.00 C ATOM 929 C ALA A 58 -6.804 -6.169 -8.217 1.00 0.00 C ATOM 930 O ALA A 58 -5.598 -6.032 -8.334 1.00 0.00 O ATOM 931 CB ALA A 58 -7.562 -5.133 -10.371 1.00 0.00 C ATOM 0 H ALA A 58 -9.425 -5.973 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.362 -7.255 -9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.519 -5.002 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.169 -5.275 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.905 -4.248 -9.836 1.00 0.00 H new ATOM 937 N SER A 59 -7.378 -6.155 -7.029 1.00 0.00 N ATOM 938 CA SER A 59 -6.560 -5.967 -5.794 1.00 0.00 C ATOM 939 C SER A 59 -5.938 -7.303 -5.362 1.00 0.00 C ATOM 940 O SER A 59 -4.783 -7.358 -5.012 1.00 0.00 O ATOM 941 CB SER A 59 -7.450 -5.386 -4.677 1.00 0.00 C ATOM 942 OG SER A 59 -7.458 -6.249 -3.540 1.00 0.00 O ATOM 0 H SER A 59 -8.379 -6.266 -6.869 1.00 0.00 H new ATOM 0 HA SER A 59 -5.748 -5.269 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.085 -4.400 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.467 -5.254 -5.047 1.00 0.00 H new ATOM 0 HG SER A 59 -8.066 -7.000 -3.703 1.00 0.00 H new ATOM 948 N ALA A 60 -6.706 -8.369 -5.366 1.00 0.00 N ATOM 949 CA ALA A 60 -6.173 -9.703 -4.931 1.00 0.00 C ATOM 950 C ALA A 60 -4.900 -10.079 -5.711 1.00 0.00 C ATOM 951 O ALA A 60 -4.062 -10.803 -5.212 1.00 0.00 O ATOM 952 CB ALA A 60 -7.242 -10.773 -5.165 1.00 0.00 C ATOM 0 H ALA A 60 -7.685 -8.372 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.920 -9.642 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.860 -11.744 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.133 -10.529 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.495 -10.809 -6.225 1.00 0.00 H new ATOM 958 N PHE A 61 -4.756 -9.607 -6.925 1.00 0.00 N ATOM 959 CA PHE A 61 -3.545 -9.948 -7.738 1.00 0.00 C ATOM 960 C PHE A 61 -2.362 -9.048 -7.345 1.00 0.00 C ATOM 961 O PHE A 61 -1.266 -9.521 -7.106 1.00 0.00 O ATOM 962 CB PHE A 61 -3.860 -9.755 -9.227 1.00 0.00 C ATOM 963 CG PHE A 61 -5.098 -10.544 -9.593 1.00 0.00 C ATOM 964 CD1 PHE A 61 -5.025 -11.935 -9.739 1.00 0.00 C ATOM 965 CD2 PHE A 61 -6.319 -9.885 -9.786 1.00 0.00 C ATOM 966 CE1 PHE A 61 -6.170 -12.665 -10.077 1.00 0.00 C ATOM 967 CE2 PHE A 61 -7.464 -10.615 -10.124 1.00 0.00 C ATOM 968 CZ PHE A 61 -7.389 -12.006 -10.270 1.00 0.00 C ATOM 0 H PHE A 61 -5.428 -8.997 -7.391 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.275 -10.987 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.014 -8.698 -9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.015 -10.083 -9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.084 -12.445 -9.591 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.377 -8.812 -9.674 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.113 -13.738 -10.189 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.405 -10.106 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.272 -12.570 -10.532 1.00 0.00 H new ATOM 978 N THR A 62 -2.581 -7.754 -7.293 1.00 0.00 N ATOM 979 CA THR A 62 -1.482 -6.797 -6.936 1.00 0.00 C ATOM 980 C THR A 62 -1.282 -6.751 -5.414 1.00 0.00 C ATOM 981 O THR A 62 -0.202 -6.446 -4.942 1.00 0.00 O ATOM 982 CB THR A 62 -1.830 -5.395 -7.444 1.00 0.00 C ATOM 983 OG1 THR A 62 -2.489 -5.482 -8.703 1.00 0.00 O ATOM 984 CG2 THR A 62 -0.544 -4.579 -7.600 1.00 0.00 C ATOM 0 H THR A 62 -3.482 -7.316 -7.484 1.00 0.00 H new ATOM 0 HA THR A 62 -0.559 -7.139 -7.405 1.00 0.00 H new ATOM 0 HB THR A 62 -2.492 -4.909 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.446 -5.637 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.788 -3.580 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.042 -4.503 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.115 -5.072 -8.314 1.00 0.00 H new ATOM 992 N LYS A 63 -2.308 -7.066 -4.648 1.00 0.00 N ATOM 993 CA LYS A 63 -2.182 -7.068 -3.152 1.00 0.00 C ATOM 994 C LYS A 63 -1.000 -7.961 -2.777 1.00 0.00 C ATOM 995 O LYS A 63 -0.306 -7.722 -1.805 1.00 0.00 O ATOM 996 CB LYS A 63 -3.470 -7.620 -2.526 1.00 0.00 C ATOM 997 CG LYS A 63 -3.358 -7.605 -0.998 1.00 0.00 C ATOM 998 CD LYS A 63 -4.419 -8.533 -0.398 1.00 0.00 C ATOM 999 CE LYS A 63 -5.337 -7.731 0.525 1.00 0.00 C ATOM 1000 NZ LYS A 63 -6.399 -8.621 1.073 1.00 0.00 N ATOM 0 H LYS A 63 -3.231 -7.323 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.021 -6.055 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.324 -7.021 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.647 -8.637 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.363 -7.928 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.493 -6.591 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.002 -8.998 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.940 -9.338 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.759 -7.294 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.789 -6.905 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.275 -8.076 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.574 -9.403 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.091 -9.006 1.988 1.00 0.00 H new ATOM 1014 N LYS A 64 -0.746 -8.961 -3.589 1.00 0.00 N ATOM 1015 CA LYS A 64 0.401 -9.856 -3.368 1.00 0.00 C ATOM 1016 C LYS A 64 1.620 -9.113 -3.915 1.00 0.00 C ATOM 1017 O LYS A 64 1.751 -7.924 -3.677 1.00 0.00 O ATOM 1018 CB LYS A 64 0.144 -11.165 -4.119 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.706 -12.078 -3.239 1.00 0.00 C ATOM 1020 CD LYS A 64 -2.078 -12.278 -3.880 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.692 -13.592 -3.388 1.00 0.00 C ATOM 1022 NZ LYS A 64 -3.977 -13.311 -2.687 1.00 0.00 N ATOM 0 H LYS A 64 -1.307 -9.187 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 64 0.559 -10.107 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.367 -10.966 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.088 -11.650 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.210 -13.040 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.818 -11.642 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.732 -11.443 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.984 -12.294 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.864 -14.262 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.001 -14.098 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.393 -14.204 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.800 -12.687 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.636 -12.846 -3.343 1.00 0.00 H new ATOM 1036 N MET A 65 2.503 -9.756 -4.652 1.00 0.00 N ATOM 1037 CA MET A 65 3.683 -9.012 -5.194 1.00 0.00 C ATOM 1038 C MET A 65 4.316 -8.210 -4.042 1.00 0.00 C ATOM 1039 O MET A 65 4.889 -7.152 -4.233 1.00 0.00 O ATOM 1040 CB MET A 65 3.193 -8.048 -6.289 1.00 0.00 C ATOM 1041 CG MET A 65 2.048 -8.679 -7.098 1.00 0.00 C ATOM 1042 SD MET A 65 2.437 -10.402 -7.501 1.00 0.00 S ATOM 1043 CE MET A 65 1.416 -10.525 -8.991 1.00 0.00 C ATOM 0 H MET A 65 2.456 -10.745 -4.896 1.00 0.00 H new ATOM 0 HA MET A 65 4.418 -9.698 -5.615 1.00 0.00 H new ATOM 0 HB2 MET A 65 2.854 -7.117 -5.835 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.019 -7.796 -6.954 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.121 -8.633 -6.526 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.886 -8.112 -8.015 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.666 -11.439 -9.529 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.363 -10.546 -8.710 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.603 -9.664 -9.633 1.00 0.00 H new ATOM 1053 N LEU A 66 4.161 -8.712 -2.838 1.00 0.00 N ATOM 1054 CA LEU A 66 4.671 -8.022 -1.622 1.00 0.00 C ATOM 1055 C LEU A 66 4.550 -8.990 -0.440 1.00 0.00 C ATOM 1056 O LEU A 66 5.445 -9.099 0.377 1.00 0.00 O ATOM 1057 CB LEU A 66 3.800 -6.787 -1.342 1.00 0.00 C ATOM 1058 CG LEU A 66 4.638 -5.507 -1.412 1.00 0.00 C ATOM 1059 CD1 LEU A 66 4.095 -4.599 -2.521 1.00 0.00 C ATOM 1060 CD2 LEU A 66 4.550 -4.770 -0.072 1.00 0.00 C ATOM 0 H LEU A 66 3.688 -9.596 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 66 5.707 -7.716 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.988 -6.736 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.342 -6.874 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 66 5.676 -5.764 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.692 -3.688 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.149 -5.120 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.058 -4.342 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.146 -3.858 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.511 -4.515 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.931 -5.412 0.722 1.00 0.00 H new ATOM 1072 N GLU A 67 3.440 -9.700 -0.348 1.00 0.00 N ATOM 1073 CA GLU A 67 3.253 -10.664 0.782 1.00 0.00 C ATOM 1074 C GLU A 67 3.992 -11.993 0.510 1.00 0.00 C ATOM 1075 O GLU A 67 3.719 -12.993 1.151 1.00 0.00 O ATOM 1076 CB GLU A 67 1.754 -10.937 0.963 1.00 0.00 C ATOM 1077 CG GLU A 67 1.299 -10.428 2.335 1.00 0.00 C ATOM 1078 CD GLU A 67 1.788 -11.384 3.431 1.00 0.00 C ATOM 1079 OE1 GLU A 67 1.090 -12.347 3.706 1.00 0.00 O ATOM 1080 OE2 GLU A 67 2.852 -11.136 3.977 1.00 0.00 O ATOM 0 H GLU A 67 2.663 -9.650 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 67 3.670 -10.224 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.187 -10.443 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.556 -12.005 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.692 -9.427 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.212 -10.353 2.363 1.00 0.00 H new ATOM 1087 N ASN A 68 4.923 -12.020 -0.427 1.00 0.00 N ATOM 1088 CA ASN A 68 5.657 -13.297 -0.719 1.00 0.00 C ATOM 1089 C ASN A 68 7.033 -13.018 -1.360 1.00 0.00 C ATOM 1090 O ASN A 68 7.994 -13.712 -1.084 1.00 0.00 O ATOM 1091 CB ASN A 68 4.813 -14.163 -1.667 1.00 0.00 C ATOM 1092 CG ASN A 68 4.609 -13.439 -3.004 1.00 0.00 C ATOM 1093 OD1 ASN A 68 5.237 -13.774 -3.989 1.00 0.00 O ATOM 1094 ND2 ASN A 68 3.752 -12.456 -3.083 1.00 0.00 N ATOM 0 H ASN A 68 5.201 -11.220 -0.995 1.00 0.00 H new ATOM 0 HA ASN A 68 5.822 -13.822 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.308 -15.120 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.847 -14.379 -1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.611 -11.972 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.223 -12.173 -2.258 1.00 0.00 H new ATOM 1101 N ALA A 69 7.133 -12.023 -2.217 1.00 0.00 N ATOM 1102 CA ALA A 69 8.443 -11.715 -2.885 1.00 0.00 C ATOM 1103 C ALA A 69 9.355 -10.911 -1.949 1.00 0.00 C ATOM 1104 O ALA A 69 9.021 -10.637 -0.809 1.00 0.00 O ATOM 1105 CB ALA A 69 8.177 -10.916 -4.160 1.00 0.00 C ATOM 0 H ALA A 69 6.362 -11.410 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 69 8.945 -12.651 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.123 -10.688 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.551 -11.502 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.667 -9.987 -3.907 1.00 0.00 H new ATOM 1111 N LYS A 70 10.511 -10.540 -2.441 1.00 0.00 N ATOM 1112 CA LYS A 70 11.486 -9.756 -1.621 1.00 0.00 C ATOM 1113 C LYS A 70 12.095 -8.668 -2.505 1.00 0.00 C ATOM 1114 O LYS A 70 12.203 -7.522 -2.108 1.00 0.00 O ATOM 1115 CB LYS A 70 12.592 -10.684 -1.107 1.00 0.00 C ATOM 1116 CG LYS A 70 12.104 -11.417 0.145 1.00 0.00 C ATOM 1117 CD LYS A 70 13.200 -12.361 0.645 1.00 0.00 C ATOM 1118 CE LYS A 70 12.583 -13.421 1.563 1.00 0.00 C ATOM 1119 NZ LYS A 70 13.656 -14.066 2.373 1.00 0.00 N ATOM 0 H LYS A 70 10.825 -10.750 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 70 10.980 -9.305 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.865 -11.403 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.488 -10.107 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.846 -10.698 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.199 -11.981 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.695 -12.840 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.962 -11.798 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.844 -12.962 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.061 -14.171 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.236 -14.785 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.346 -14.517 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.136 -13.346 2.950 1.00 0.00 H new ATOM 1133 N LYS A 71 12.457 -9.020 -3.718 1.00 0.00 N ATOM 1134 CA LYS A 71 13.022 -8.008 -4.661 1.00 0.00 C ATOM 1135 C LYS A 71 11.845 -7.225 -5.238 1.00 0.00 C ATOM 1136 O LYS A 71 10.791 -7.787 -5.469 1.00 0.00 O ATOM 1137 CB LYS A 71 13.779 -8.712 -5.793 1.00 0.00 C ATOM 1138 CG LYS A 71 15.171 -9.127 -5.304 1.00 0.00 C ATOM 1139 CD LYS A 71 15.165 -10.612 -4.929 1.00 0.00 C ATOM 1140 CE LYS A 71 15.162 -10.759 -3.404 1.00 0.00 C ATOM 1141 NZ LYS A 71 16.542 -11.061 -2.926 1.00 0.00 N ATOM 0 H LYS A 71 12.384 -9.966 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 71 13.718 -7.346 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.223 -9.589 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.868 -8.047 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.911 -8.942 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.458 -8.525 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.288 -11.101 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.040 -11.107 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.799 -9.841 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.481 -11.557 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.537 -11.160 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.872 -11.948 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.180 -10.286 -3.196 1.00 0.00 H new ATOM 1155 N ILE A 72 11.987 -5.937 -5.448 1.00 0.00 N ATOM 1156 CA ILE A 72 10.840 -5.145 -5.982 1.00 0.00 C ATOM 1157 C ILE A 72 11.350 -4.052 -6.923 1.00 0.00 C ATOM 1158 O ILE A 72 12.534 -3.797 -7.013 1.00 0.00 O ATOM 1159 CB ILE A 72 10.071 -4.523 -4.792 1.00 0.00 C ATOM 1160 CG1 ILE A 72 9.491 -5.644 -3.917 1.00 0.00 C ATOM 1161 CG2 ILE A 72 8.924 -3.637 -5.284 1.00 0.00 C ATOM 1162 CD1 ILE A 72 9.219 -5.116 -2.510 1.00 0.00 C ATOM 0 H ILE A 72 12.841 -5.407 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 72 10.171 -5.793 -6.548 1.00 0.00 H new ATOM 0 HB ILE A 72 10.767 -3.912 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.568 -6.021 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.188 -6.481 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.400 -3.212 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.325 -2.832 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.230 -4.235 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.808 -5.916 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.150 -4.760 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.505 -4.294 -2.562 1.00 0.00 H new ATOM 1174 N GLU A 73 10.456 -3.416 -7.630 1.00 0.00 N ATOM 1175 CA GLU A 73 10.854 -2.331 -8.561 1.00 0.00 C ATOM 1176 C GLU A 73 9.745 -1.271 -8.538 1.00 0.00 C ATOM 1177 O GLU A 73 8.975 -1.139 -9.476 1.00 0.00 O ATOM 1178 CB GLU A 73 11.024 -2.896 -9.979 1.00 0.00 C ATOM 1179 CG GLU A 73 12.379 -3.606 -10.099 1.00 0.00 C ATOM 1180 CD GLU A 73 12.158 -5.110 -10.299 1.00 0.00 C ATOM 1181 OE1 GLU A 73 12.057 -5.814 -9.307 1.00 0.00 O ATOM 1182 OE2 GLU A 73 12.096 -5.533 -11.443 1.00 0.00 O ATOM 0 H GLU A 73 9.455 -3.607 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 73 11.804 -1.891 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.217 -3.594 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.959 -2.091 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.942 -3.197 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.972 -3.432 -9.201 1.00 0.00 H new ATOM 1189 N VAL A 74 9.646 -0.533 -7.452 1.00 0.00 N ATOM 1190 CA VAL A 74 8.572 0.514 -7.331 1.00 0.00 C ATOM 1191 C VAL A 74 8.656 1.471 -8.525 1.00 0.00 C ATOM 1192 O VAL A 74 9.527 2.322 -8.587 1.00 0.00 O ATOM 1193 CB VAL A 74 8.698 1.350 -6.032 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.358 1.381 -5.306 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.750 0.785 -5.075 1.00 0.00 C ATOM 0 H VAL A 74 10.263 -0.610 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 74 7.617 -0.012 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 74 9.006 2.352 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.452 1.970 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.604 1.831 -5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.058 0.364 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.800 1.406 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.478 -0.233 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.723 0.778 -5.567 1.00 0.00 H new ATOM 1205 N GLU A 75 7.752 1.344 -9.467 1.00 0.00 N ATOM 1206 CA GLU A 75 7.769 2.251 -10.650 1.00 0.00 C ATOM 1207 C GLU A 75 6.914 3.483 -10.330 1.00 0.00 C ATOM 1208 O GLU A 75 5.710 3.485 -10.531 1.00 0.00 O ATOM 1209 CB GLU A 75 7.208 1.518 -11.874 1.00 0.00 C ATOM 1210 CG GLU A 75 8.253 1.522 -12.997 1.00 0.00 C ATOM 1211 CD GLU A 75 8.681 0.086 -13.316 1.00 0.00 C ATOM 1212 OE1 GLU A 75 9.394 -0.495 -12.513 1.00 0.00 O ATOM 1213 OE2 GLU A 75 8.288 -0.410 -14.360 1.00 0.00 O ATOM 0 H GLU A 75 7.004 0.650 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 75 8.790 2.560 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.947 0.493 -11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.292 2.003 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.840 1.994 -13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.120 2.111 -12.697 1.00 0.00 H new ATOM 1220 N PHE A 76 7.528 4.529 -9.823 1.00 0.00 N ATOM 1221 CA PHE A 76 6.757 5.756 -9.481 1.00 0.00 C ATOM 1222 C PHE A 76 7.449 6.991 -10.069 1.00 0.00 C ATOM 1223 O PHE A 76 8.637 7.204 -9.895 1.00 0.00 O ATOM 1224 CB PHE A 76 6.605 5.880 -7.951 1.00 0.00 C ATOM 1225 CG PHE A 76 7.903 6.277 -7.281 1.00 0.00 C ATOM 1226 CD1 PHE A 76 8.900 5.321 -7.060 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.095 7.599 -6.857 1.00 0.00 C ATOM 1228 CE1 PHE A 76 10.091 5.685 -6.422 1.00 0.00 C ATOM 1229 CE2 PHE A 76 9.284 7.962 -6.218 1.00 0.00 C ATOM 1230 CZ PHE A 76 10.283 7.007 -6.001 1.00 0.00 C ATOM 0 H PHE A 76 8.529 4.580 -9.634 1.00 0.00 H new ATOM 0 HA PHE A 76 5.760 5.685 -9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.838 6.620 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.263 4.929 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.750 4.301 -7.382 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.324 8.337 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.862 4.947 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.432 8.981 -5.891 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.202 7.289 -5.509 1.00 0.00 H new ATOM 1240 N ASP A 77 6.691 7.792 -10.776 1.00 0.00 N ATOM 1241 CA ASP A 77 7.234 9.033 -11.414 1.00 0.00 C ATOM 1242 C ASP A 77 7.724 10.017 -10.337 1.00 0.00 C ATOM 1243 O ASP A 77 7.926 9.651 -9.193 1.00 0.00 O ATOM 1244 CB ASP A 77 6.111 9.692 -12.235 1.00 0.00 C ATOM 1245 CG ASP A 77 5.018 10.239 -11.303 1.00 0.00 C ATOM 1246 OD1 ASP A 77 4.252 9.442 -10.784 1.00 0.00 O ATOM 1247 OD2 ASP A 77 4.964 11.446 -11.129 1.00 0.00 O ATOM 0 H ASP A 77 5.697 7.635 -10.942 1.00 0.00 H new ATOM 0 HA ASP A 77 8.075 8.774 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.521 10.501 -12.840 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.681 8.965 -12.924 1.00 0.00 H new ATOM 1252 N LYS A 78 7.904 11.269 -10.703 1.00 0.00 N ATOM 1253 CA LYS A 78 8.364 12.298 -9.716 1.00 0.00 C ATOM 1254 C LYS A 78 7.516 12.199 -8.439 1.00 0.00 C ATOM 1255 O LYS A 78 6.341 11.880 -8.496 1.00 0.00 O ATOM 1256 CB LYS A 78 8.205 13.696 -10.327 1.00 0.00 C ATOM 1257 CG LYS A 78 9.132 14.684 -9.610 1.00 0.00 C ATOM 1258 CD LYS A 78 9.878 15.535 -10.644 1.00 0.00 C ATOM 1259 CE LYS A 78 8.897 16.483 -11.343 1.00 0.00 C ATOM 1260 NZ LYS A 78 8.735 16.074 -12.768 1.00 0.00 N ATOM 0 H LYS A 78 7.750 11.621 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 78 9.412 12.124 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.442 13.667 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.170 14.026 -10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.552 15.326 -8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.845 14.143 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.666 16.108 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.361 14.890 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.932 16.462 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.264 17.508 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.330 16.863 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.663 15.820 -13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.099 15.253 -12.823 1.00 0.00 H new ATOM 1274 N GLY A 79 8.114 12.458 -7.296 1.00 0.00 N ATOM 1275 CA GLY A 79 7.380 12.377 -5.992 1.00 0.00 C ATOM 1276 C GLY A 79 6.002 13.031 -6.113 1.00 0.00 C ATOM 1277 O GLY A 79 5.871 14.240 -6.068 1.00 0.00 O ATOM 0 H GLY A 79 9.095 12.726 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.270 11.334 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.957 12.872 -5.211 1.00 0.00 H new ATOM 1281 N GLN A 80 4.977 12.227 -6.263 1.00 0.00 N ATOM 1282 CA GLN A 80 3.596 12.770 -6.388 1.00 0.00 C ATOM 1283 C GLN A 80 3.080 13.135 -4.992 1.00 0.00 C ATOM 1284 O GLN A 80 2.467 14.171 -4.814 1.00 0.00 O ATOM 1285 CB GLN A 80 2.683 11.725 -7.068 1.00 0.00 C ATOM 1286 CG GLN A 80 2.175 10.672 -6.066 1.00 0.00 C ATOM 1287 CD GLN A 80 3.273 9.639 -5.774 1.00 0.00 C ATOM 1288 OE1 GLN A 80 4.044 9.798 -4.849 1.00 0.00 O ATOM 1289 NE2 GLN A 80 3.374 8.576 -6.523 1.00 0.00 N ATOM 0 H GLN A 80 5.043 11.210 -6.304 1.00 0.00 H new ATOM 0 HA GLN A 80 3.596 13.667 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.833 12.229 -7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.231 11.230 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.869 11.159 -5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.294 10.172 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.729 8.437 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.098 7.883 -6.331 1.00 0.00 H new ATOM 1298 N ARG A 81 3.357 12.288 -4.012 1.00 0.00 N ATOM 1299 CA ARG A 81 2.932 12.520 -2.590 1.00 0.00 C ATOM 1300 C ARG A 81 1.671 13.405 -2.515 1.00 0.00 C ATOM 1301 O ARG A 81 1.627 14.392 -1.801 1.00 0.00 O ATOM 1302 CB ARG A 81 4.105 13.147 -1.814 1.00 0.00 C ATOM 1303 CG ARG A 81 4.555 14.457 -2.478 1.00 0.00 C ATOM 1304 CD ARG A 81 4.262 15.639 -1.549 1.00 0.00 C ATOM 1305 NE ARG A 81 3.469 16.666 -2.284 1.00 0.00 N ATOM 1306 CZ ARG A 81 2.848 17.608 -1.627 1.00 0.00 C ATOM 1307 NH1 ARG A 81 1.690 17.364 -1.071 1.00 0.00 N ATOM 1308 NH2 ARG A 81 3.386 18.796 -1.525 1.00 0.00 N ATOM 0 H ARG A 81 3.876 11.421 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 81 2.670 11.565 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.805 13.340 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.939 12.447 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.621 14.414 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.036 14.591 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.711 15.298 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.195 16.073 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 81 3.412 16.632 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.271 16.437 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.205 18.100 -0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.290 18.986 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.902 19.533 -1.012 1.00 0.00 H new ATOM 1322 N THR A 82 0.645 13.048 -3.259 1.00 0.00 N ATOM 1323 CA THR A 82 -0.627 13.850 -3.257 1.00 0.00 C ATOM 1324 C THR A 82 -1.793 12.974 -3.734 1.00 0.00 C ATOM 1325 O THR A 82 -1.717 12.332 -4.767 1.00 0.00 O ATOM 1326 CB THR A 82 -0.447 15.041 -4.176 1.00 0.00 C ATOM 1327 OG1 THR A 82 0.095 16.131 -3.443 1.00 0.00 O ATOM 1328 CG2 THR A 82 -1.778 15.460 -4.812 1.00 0.00 C ATOM 0 H THR A 82 0.634 12.232 -3.870 1.00 0.00 H new ATOM 0 HA THR A 82 -0.852 14.199 -2.249 1.00 0.00 H new ATOM 0 HB THR A 82 0.237 14.754 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.809 15.807 -2.855 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.615 16.317 -5.466 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.180 14.631 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.486 15.731 -4.029 1.00 0.00 H new ATOM 1336 N ASP A 83 -2.860 12.964 -2.969 1.00 0.00 N ATOM 1337 CA ASP A 83 -4.090 12.155 -3.291 1.00 0.00 C ATOM 1338 C ASP A 83 -4.787 11.827 -1.961 1.00 0.00 C ATOM 1339 O ASP A 83 -5.689 12.528 -1.539 1.00 0.00 O ATOM 1340 CB ASP A 83 -3.712 10.858 -4.034 1.00 0.00 C ATOM 1341 CG ASP A 83 -4.884 9.861 -4.017 1.00 0.00 C ATOM 1342 OD1 ASP A 83 -5.918 10.175 -4.586 1.00 0.00 O ATOM 1343 OD2 ASP A 83 -4.722 8.797 -3.440 1.00 0.00 O ATOM 0 H ASP A 83 -2.934 13.500 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.755 12.721 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.439 11.089 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.837 10.407 -3.566 1.00 0.00 H new ATOM 1348 N LYS A 84 -4.341 10.795 -1.282 1.00 0.00 N ATOM 1349 CA LYS A 84 -4.923 10.440 0.041 1.00 0.00 C ATOM 1350 C LYS A 84 -3.927 10.934 1.092 1.00 0.00 C ATOM 1351 O LYS A 84 -3.051 10.204 1.522 1.00 0.00 O ATOM 1352 CB LYS A 84 -5.108 8.919 0.144 1.00 0.00 C ATOM 1353 CG LYS A 84 -6.255 8.603 1.110 1.00 0.00 C ATOM 1354 CD LYS A 84 -5.691 8.314 2.505 1.00 0.00 C ATOM 1355 CE LYS A 84 -5.959 9.508 3.425 1.00 0.00 C ATOM 1356 NZ LYS A 84 -5.139 9.377 4.665 1.00 0.00 N ATOM 0 H LYS A 84 -3.590 10.181 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.903 10.896 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.323 8.502 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.186 8.454 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.948 9.443 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.820 7.743 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.151 7.415 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.620 8.123 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.715 10.438 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.018 9.553 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.134 10.283 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.546 8.639 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.164 9.118 4.411 1.00 0.00 H new ATOM 1370 N TYR A 85 -4.015 12.201 1.444 1.00 0.00 N ATOM 1371 CA TYR A 85 -3.036 12.803 2.405 1.00 0.00 C ATOM 1372 C TYR A 85 -1.668 12.902 1.672 1.00 0.00 C ATOM 1373 O TYR A 85 -0.628 13.116 2.268 1.00 0.00 O ATOM 1374 CB TYR A 85 -2.984 11.929 3.691 1.00 0.00 C ATOM 1375 CG TYR A 85 -1.565 11.637 4.138 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -0.892 10.508 3.652 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -0.926 12.495 5.043 1.00 0.00 C ATOM 1378 CE1 TYR A 85 0.417 10.238 4.070 1.00 0.00 C ATOM 1379 CE2 TYR A 85 0.383 12.225 5.459 1.00 0.00 C ATOM 1380 CZ TYR A 85 1.055 11.098 4.973 1.00 0.00 C ATOM 1381 OH TYR A 85 2.346 10.833 5.383 1.00 0.00 O ATOM 0 H TYR A 85 -4.729 12.844 1.102 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.325 13.805 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.517 12.438 4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.505 10.989 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.383 9.846 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.444 13.365 5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.934 9.367 3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.875 12.887 6.156 1.00 0.00 H new ATOM 0 HH TYR A 85 2.640 11.528 6.009 1.00 0.00 H new ATOM 1391 N GLY A 86 -1.687 12.751 0.359 1.00 0.00 N ATOM 1392 CA GLY A 86 -0.438 12.810 -0.454 1.00 0.00 C ATOM 1393 C GLY A 86 0.325 11.509 -0.252 1.00 0.00 C ATOM 1394 O GLY A 86 1.445 11.494 0.225 1.00 0.00 O ATOM 0 H GLY A 86 -2.535 12.587 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.677 12.950 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.173 13.660 -0.150 1.00 0.00 H new ATOM 1398 N ARG A 87 -0.300 10.416 -0.614 1.00 0.00 N ATOM 1399 CA ARG A 87 0.334 9.083 -0.458 1.00 0.00 C ATOM 1400 C ARG A 87 1.199 8.766 -1.679 1.00 0.00 C ATOM 1401 O ARG A 87 1.198 9.485 -2.665 1.00 0.00 O ATOM 1402 CB ARG A 87 -0.768 8.033 -0.314 1.00 0.00 C ATOM 1403 CG ARG A 87 -0.380 7.025 0.768 1.00 0.00 C ATOM 1404 CD ARG A 87 -1.595 6.164 1.106 1.00 0.00 C ATOM 1405 NE ARG A 87 -1.909 5.279 -0.055 1.00 0.00 N ATOM 1406 CZ ARG A 87 -2.760 4.301 0.083 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -3.998 4.555 0.418 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -2.375 3.072 -0.111 1.00 0.00 N ATOM 0 H ARG A 87 -1.237 10.397 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 87 0.971 9.079 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.711 8.514 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.922 7.521 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.441 6.398 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.028 7.546 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.394 5.563 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.451 6.797 1.338 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.458 5.440 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.298 5.518 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.664 3.790 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.408 2.875 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.040 2.306 -0.003 1.00 0.00 H new ATOM 1422 N VAL A 88 1.946 7.695 -1.606 1.00 0.00 N ATOM 1423 CA VAL A 88 2.831 7.311 -2.740 1.00 0.00 C ATOM 1424 C VAL A 88 2.020 6.545 -3.790 1.00 0.00 C ATOM 1425 O VAL A 88 2.008 5.327 -3.815 1.00 0.00 O ATOM 1426 CB VAL A 88 3.965 6.424 -2.222 1.00 0.00 C ATOM 1427 CG1 VAL A 88 5.009 6.237 -3.325 1.00 0.00 C ATOM 1428 CG2 VAL A 88 4.626 7.083 -1.007 1.00 0.00 C ATOM 0 H VAL A 88 1.979 7.067 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 88 3.249 8.210 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 88 3.558 5.455 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.818 5.605 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.544 5.764 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.410 7.208 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.433 6.447 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.031 8.053 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.886 7.218 -0.219 1.00 0.00 H new ATOM 1438 N LEU A 89 1.345 7.254 -4.660 1.00 0.00 N ATOM 1439 CA LEU A 89 0.538 6.572 -5.723 1.00 0.00 C ATOM 1440 C LEU A 89 1.493 5.916 -6.724 1.00 0.00 C ATOM 1441 O LEU A 89 1.907 6.528 -7.694 1.00 0.00 O ATOM 1442 CB LEU A 89 -0.344 7.585 -6.464 1.00 0.00 C ATOM 1443 CG LEU A 89 -1.024 8.547 -5.486 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -2.155 9.264 -6.220 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -1.598 7.775 -4.290 1.00 0.00 C ATOM 0 H LEU A 89 1.317 8.273 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.102 5.823 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.263 8.150 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.101 7.057 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.294 9.267 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.651 9.954 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.746 9.819 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.876 8.531 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.078 8.472 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.332 7.050 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.792 7.254 -3.773 1.00 0.00 H new ATOM 1457 N ALA A 90 1.856 4.679 -6.493 1.00 0.00 N ATOM 1458 CA ALA A 90 2.796 3.998 -7.428 1.00 0.00 C ATOM 1459 C ALA A 90 2.616 2.481 -7.377 1.00 0.00 C ATOM 1460 O ALA A 90 2.221 1.915 -6.375 1.00 0.00 O ATOM 1461 CB ALA A 90 4.229 4.342 -7.034 1.00 0.00 C ATOM 0 H ALA A 90 1.543 4.116 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 90 2.585 4.340 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.922 3.847 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.373 5.421 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.417 4.004 -6.015 1.00 0.00 H new ATOM 1467 N TYR A 91 2.925 1.828 -8.464 1.00 0.00 N ATOM 1468 CA TYR A 91 2.800 0.339 -8.529 1.00 0.00 C ATOM 1469 C TYR A 91 3.994 -0.309 -7.822 1.00 0.00 C ATOM 1470 O TYR A 91 4.993 0.334 -7.547 1.00 0.00 O ATOM 1471 CB TYR A 91 2.769 -0.115 -9.988 1.00 0.00 C ATOM 1472 CG TYR A 91 1.596 0.520 -10.688 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.325 -0.060 -10.591 1.00 0.00 C ATOM 1474 CD2 TYR A 91 1.777 1.693 -11.425 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -0.765 0.534 -11.237 1.00 0.00 C ATOM 1476 CE2 TYR A 91 0.690 2.288 -12.069 1.00 0.00 C ATOM 1477 CZ TYR A 91 -0.581 1.711 -11.977 1.00 0.00 C ATOM 1478 OH TYR A 91 -1.647 2.303 -12.620 1.00 0.00 O ATOM 0 H TYR A 91 3.263 2.266 -9.321 1.00 0.00 H new ATOM 0 HA TYR A 91 1.876 0.037 -8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.698 0.164 -10.486 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.693 -1.201 -10.040 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.186 -0.965 -10.018 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.758 2.140 -11.497 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.746 0.087 -11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.831 3.195 -12.639 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.342 3.110 -13.084 1.00 0.00 H new ATOM 1488 N ILE A 92 3.888 -1.580 -7.522 1.00 0.00 N ATOM 1489 CA ILE A 92 4.994 -2.296 -6.815 1.00 0.00 C ATOM 1490 C ILE A 92 5.140 -3.700 -7.410 1.00 0.00 C ATOM 1491 O ILE A 92 4.377 -4.597 -7.088 1.00 0.00 O ATOM 1492 CB ILE A 92 4.661 -2.432 -5.315 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.865 -1.215 -4.817 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.957 -2.560 -4.513 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.769 0.016 -4.774 1.00 0.00 C ATOM 0 H ILE A 92 3.075 -2.157 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 92 5.918 -1.731 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 92 4.050 -3.324 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.016 -1.031 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.461 -1.415 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.721 -2.656 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.504 -3.442 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.571 -1.673 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.198 0.874 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.603 -0.169 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.151 0.222 -5.774 1.00 0.00 H new ATOM 1507 N TYR A 93 6.107 -3.907 -8.267 1.00 0.00 N ATOM 1508 CA TYR A 93 6.287 -5.268 -8.867 1.00 0.00 C ATOM 1509 C TYR A 93 7.478 -5.951 -8.212 1.00 0.00 C ATOM 1510 O TYR A 93 8.597 -5.471 -8.275 1.00 0.00 O ATOM 1511 CB TYR A 93 6.532 -5.187 -10.377 1.00 0.00 C ATOM 1512 CG TYR A 93 5.932 -3.931 -10.935 1.00 0.00 C ATOM 1513 CD1 TYR A 93 4.552 -3.730 -10.888 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.764 -2.966 -11.490 1.00 0.00 C ATOM 1515 CE1 TYR A 93 4.007 -2.555 -11.405 1.00 0.00 C ATOM 1516 CE2 TYR A 93 6.223 -1.792 -12.005 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.843 -1.581 -11.965 1.00 0.00 C ATOM 1518 OH TYR A 93 4.306 -0.418 -12.480 1.00 0.00 O ATOM 0 H TYR A 93 6.775 -3.201 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 93 5.373 -5.837 -8.695 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.603 -5.208 -10.580 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.097 -6.056 -10.870 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.909 -4.481 -10.453 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.831 -3.127 -11.522 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.939 -2.396 -11.373 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.871 -1.043 -12.436 1.00 0.00 H new ATOM 0 HH TYR A 93 5.026 0.149 -12.828 1.00 0.00 H new ATOM 1528 N ALA A 94 7.242 -7.070 -7.587 1.00 0.00 N ATOM 1529 CA ALA A 94 8.337 -7.804 -6.925 1.00 0.00 C ATOM 1530 C ALA A 94 9.118 -8.597 -7.975 1.00 0.00 C ATOM 1531 O ALA A 94 8.575 -9.424 -8.686 1.00 0.00 O ATOM 1532 CB ALA A 94 7.755 -8.746 -5.876 1.00 0.00 C ATOM 0 H ALA A 94 6.323 -7.506 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 94 9.011 -7.103 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.563 -9.289 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.204 -8.168 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.081 -9.455 -6.357 1.00 0.00 H new ATOM 1538 N ASP A 95 10.393 -8.328 -8.071 1.00 0.00 N ATOM 1539 CA ASP A 95 11.269 -9.023 -9.070 1.00 0.00 C ATOM 1540 C ASP A 95 10.693 -8.840 -10.490 1.00 0.00 C ATOM 1541 O ASP A 95 10.813 -9.708 -11.338 1.00 0.00 O ATOM 1542 CB ASP A 95 11.350 -10.518 -8.721 1.00 0.00 C ATOM 1543 CG ASP A 95 12.760 -11.042 -9.015 1.00 0.00 C ATOM 1544 OD1 ASP A 95 12.998 -11.451 -10.140 1.00 0.00 O ATOM 1545 OD2 ASP A 95 13.578 -11.027 -8.109 1.00 0.00 O ATOM 0 H ASP A 95 10.877 -7.643 -7.490 1.00 0.00 H new ATOM 0 HA ASP A 95 12.269 -8.591 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.107 -10.669 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.616 -11.077 -9.301 1.00 0.00 H new ATOM 1550 N GLY A 96 10.054 -7.717 -10.743 1.00 0.00 N ATOM 1551 CA GLY A 96 9.446 -7.462 -12.086 1.00 0.00 C ATOM 1552 C GLY A 96 7.942 -7.716 -11.989 1.00 0.00 C ATOM 1553 O GLY A 96 7.144 -6.964 -12.513 1.00 0.00 O ATOM 0 H GLY A 96 9.929 -6.963 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.638 -6.436 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.894 -8.115 -12.835 1.00 0.00 H new ATOM 1557 N LYS A 97 7.571 -8.776 -11.304 1.00 0.00 N ATOM 1558 CA LYS A 97 6.145 -9.145 -11.110 1.00 0.00 C ATOM 1559 C LYS A 97 5.394 -9.167 -12.438 1.00 0.00 C ATOM 1560 O LYS A 97 5.344 -10.200 -13.081 1.00 0.00 O ATOM 1561 CB LYS A 97 5.482 -8.187 -10.118 1.00 0.00 C ATOM 1562 CG LYS A 97 4.575 -8.986 -9.183 1.00 0.00 C ATOM 1563 CD LYS A 97 5.431 -9.790 -8.197 1.00 0.00 C ATOM 1564 CE LYS A 97 5.424 -11.270 -8.591 1.00 0.00 C ATOM 1565 NZ LYS A 97 6.806 -11.821 -8.483 1.00 0.00 N ATOM 0 H LYS A 97 8.229 -9.417 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 97 6.105 -10.153 -10.697 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.241 -7.656 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.902 -7.434 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.913 -8.312 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.941 -9.658 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.453 -9.410 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.044 -9.672 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.748 -11.827 -7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.054 -11.384 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.970 -12.500 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.495 -11.045 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.917 -12.302 -7.568 1.00 0.00 H new ATOM 1579 N MET A 98 4.790 -8.066 -12.851 1.00 0.00 N ATOM 1580 CA MET A 98 4.015 -8.087 -14.127 1.00 0.00 C ATOM 1581 C MET A 98 3.234 -6.776 -14.336 1.00 0.00 C ATOM 1582 O MET A 98 3.065 -6.328 -15.455 1.00 0.00 O ATOM 1583 CB MET A 98 3.008 -9.225 -14.019 1.00 0.00 C ATOM 1584 CG MET A 98 2.081 -8.943 -12.830 1.00 0.00 C ATOM 1585 SD MET A 98 0.951 -10.336 -12.589 1.00 0.00 S ATOM 1586 CE MET A 98 -0.410 -9.399 -11.850 1.00 0.00 C ATOM 0 H MET A 98 4.804 -7.171 -12.362 1.00 0.00 H new ATOM 0 HA MET A 98 4.702 -8.212 -14.964 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.430 -9.308 -14.939 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.524 -10.175 -13.880 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.671 -8.781 -11.928 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.514 -8.029 -13.008 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.147 -10.090 -11.440 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.024 -8.764 -11.052 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.880 -8.778 -12.612 1.00 0.00 H new ATOM 1596 N VAL A 99 2.722 -6.190 -13.269 1.00 0.00 N ATOM 1597 CA VAL A 99 1.908 -4.935 -13.392 1.00 0.00 C ATOM 1598 C VAL A 99 2.666 -3.875 -14.212 1.00 0.00 C ATOM 1599 O VAL A 99 2.056 -3.054 -14.874 1.00 0.00 O ATOM 1600 CB VAL A 99 1.567 -4.405 -11.988 1.00 0.00 C ATOM 1601 CG1 VAL A 99 0.786 -3.098 -12.102 1.00 0.00 C ATOM 1602 CG2 VAL A 99 0.708 -5.438 -11.250 1.00 0.00 C ATOM 0 H VAL A 99 2.836 -6.533 -12.315 1.00 0.00 H new ATOM 0 HA VAL A 99 0.980 -5.159 -13.919 1.00 0.00 H new ATOM 0 HB VAL A 99 2.492 -4.229 -11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.548 -2.728 -11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.389 -2.358 -12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.137 -3.273 -12.654 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.465 -5.065 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.213 -5.611 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.260 -6.374 -11.162 1.00 0.00 H new ATOM 1612 N ASN A 100 3.982 -3.899 -14.192 1.00 0.00 N ATOM 1613 CA ASN A 100 4.775 -2.909 -14.993 1.00 0.00 C ATOM 1614 C ASN A 100 4.378 -3.007 -16.476 1.00 0.00 C ATOM 1615 O ASN A 100 4.210 -2.005 -17.147 1.00 0.00 O ATOM 1616 CB ASN A 100 6.278 -3.197 -14.845 1.00 0.00 C ATOM 1617 CG ASN A 100 6.612 -4.592 -15.391 1.00 0.00 C ATOM 1618 OD1 ASN A 100 6.283 -5.591 -14.784 1.00 0.00 O ATOM 1619 ND2 ASN A 100 7.257 -4.700 -16.522 1.00 0.00 N ATOM 0 H ASN A 100 4.540 -4.563 -13.655 1.00 0.00 H new ATOM 0 HA ASN A 100 4.565 -1.905 -14.625 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.854 -2.442 -15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.566 -3.132 -13.796 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.483 -5.622 -16.894 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.534 -3.862 -17.033 1.00 0.00 H new ATOM 1626 N GLU A 101 4.225 -4.212 -16.982 1.00 0.00 N ATOM 1627 CA GLU A 101 3.836 -4.400 -18.413 1.00 0.00 C ATOM 1628 C GLU A 101 2.319 -4.217 -18.572 1.00 0.00 C ATOM 1629 O GLU A 101 1.855 -3.756 -19.598 1.00 0.00 O ATOM 1630 CB GLU A 101 4.232 -5.810 -18.864 1.00 0.00 C ATOM 1631 CG GLU A 101 4.122 -5.917 -20.390 1.00 0.00 C ATOM 1632 CD GLU A 101 2.964 -6.850 -20.762 1.00 0.00 C ATOM 1633 OE1 GLU A 101 3.186 -8.050 -20.814 1.00 0.00 O ATOM 1634 OE2 GLU A 101 1.874 -6.349 -20.990 1.00 0.00 O ATOM 0 H GLU A 101 4.355 -5.077 -16.457 1.00 0.00 H new ATOM 0 HA GLU A 101 4.350 -3.660 -19.026 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.251 -6.030 -18.547 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.585 -6.548 -18.391 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.959 -4.930 -20.822 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.055 -6.297 -20.806 1.00 0.00 H new ATOM 1641 N ALA A 102 1.551 -4.583 -17.564 1.00 0.00 N ATOM 1642 CA ALA A 102 0.060 -4.445 -17.641 1.00 0.00 C ATOM 1643 C ALA A 102 -0.315 -3.035 -18.117 1.00 0.00 C ATOM 1644 O ALA A 102 0.072 -2.043 -17.523 1.00 0.00 O ATOM 1645 CB ALA A 102 -0.548 -4.695 -16.258 1.00 0.00 C ATOM 0 H ALA A 102 1.899 -4.973 -16.688 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.329 -5.176 -18.350 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.632 -4.595 -16.314 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.293 -5.701 -15.925 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.152 -3.967 -15.550 1.00 0.00 H new ATOM 1651 N LEU A 103 -1.065 -2.949 -19.191 1.00 0.00 N ATOM 1652 CA LEU A 103 -1.476 -1.615 -19.731 1.00 0.00 C ATOM 1653 C LEU A 103 -2.749 -1.136 -19.017 1.00 0.00 C ATOM 1654 O LEU A 103 -2.718 -0.048 -18.467 1.00 0.00 O ATOM 1655 CB LEU A 103 -1.739 -1.731 -21.239 1.00 0.00 C ATOM 1656 CG LEU A 103 -0.448 -2.135 -21.960 1.00 0.00 C ATOM 1657 CD1 LEU A 103 -0.519 -3.614 -22.353 1.00 0.00 C ATOM 1658 CD2 LEU A 103 -0.280 -1.283 -23.221 1.00 0.00 C ATOM 1659 OXT LEU A 103 -3.732 -1.864 -19.029 1.00 0.00 O ATOM 0 H LEU A 103 -1.411 -3.750 -19.719 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.677 -0.894 -19.558 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.518 -2.470 -21.426 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.102 -0.780 -21.629 1.00 0.00 H new ATOM 0 HG LEU A 103 0.401 -1.976 -21.295 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.400 -3.899 -22.865 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.639 -4.223 -21.457 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.369 -3.774 -23.017 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.638 -1.570 -23.734 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.131 -1.442 -23.883 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.227 -0.230 -22.944 1.00 0.00 H new TER 1671 LEU A 103