USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 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 87 HIS : no HE2:sc= -0.246 K(o=0.45,f=-0.7) USER MOD Set 1.2: A 91 THR OG1 : rot -148:sc= 0.713 USER MOD Set 1.3: A 93 GLN : amide:sc= -0.0216 X(o=0.45,f=0.7) USER MOD Set 2.1: A 52 SER OG : rot 90:sc= 0.973 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.882 K(o=1.9,f=0.18) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00841 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.16) USER MOD Single : A 14 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.69) USER MOD Single : A 16 GLN : amide:sc= 0.312 K(o=0.31,f=-0.43) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -3.68! K(o=-3.7!,f=-2.9) USER MOD Single : A 34 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.11) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 68:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.86) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.03 K(o=1,f=-0.039) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -0.0317 X(o=-0.032,f=-0.08) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 112 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 113 SER OG : rot 35:sc= 0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.623 0.026 20.701 1.00 0.00 N ATOM 2 CA GLY A 1 25.977 0.379 19.325 1.00 0.00 C ATOM 3 C GLY A 1 25.298 1.679 18.957 1.00 0.00 C ATOM 4 O GLY A 1 25.431 2.659 19.690 1.00 0.00 O ATOM 0 H1 GLY A 1 26.087 -0.868 20.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.938 0.779 21.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.592 -0.085 20.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.058 0.479 19.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.668 -0.413 18.642 1.00 0.00 H new ATOM 8 N SER A 2 24.611 1.718 17.816 1.00 0.00 N ATOM 9 CA SER A 2 23.906 2.901 17.354 1.00 0.00 C ATOM 10 C SER A 2 22.800 2.480 16.383 1.00 0.00 C ATOM 11 O SER A 2 22.649 1.291 16.082 1.00 0.00 O ATOM 12 CB SER A 2 24.909 3.861 16.692 1.00 0.00 C ATOM 13 OG SER A 2 24.441 5.190 16.796 1.00 0.00 O ATOM 0 H SER A 2 24.531 0.920 17.185 1.00 0.00 H new ATOM 0 HA SER A 2 23.441 3.422 18.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.884 3.771 17.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.044 3.594 15.644 1.00 0.00 H new ATOM 0 HG SER A 2 25.084 5.797 16.374 1.00 0.00 H new ATOM 19 N SER A 3 22.011 3.461 15.957 1.00 0.00 N ATOM 20 CA SER A 3 20.892 3.412 15.027 1.00 0.00 C ATOM 21 C SER A 3 20.762 4.833 14.433 1.00 0.00 C ATOM 22 O SER A 3 21.541 5.723 14.798 1.00 0.00 O ATOM 23 CB SER A 3 19.612 2.995 15.769 1.00 0.00 C ATOM 24 OG SER A 3 19.699 1.691 16.324 1.00 0.00 O ATOM 0 H SER A 3 22.158 4.413 16.293 1.00 0.00 H new ATOM 0 HA SER A 3 21.051 2.680 14.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.409 3.711 16.565 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.768 3.036 15.080 1.00 0.00 H new ATOM 0 HG SER A 3 18.862 1.475 16.785 1.00 0.00 H new ATOM 30 N GLY A 4 19.812 5.057 13.524 1.00 0.00 N ATOM 31 CA GLY A 4 19.548 6.341 12.876 1.00 0.00 C ATOM 32 C GLY A 4 18.064 6.697 13.007 1.00 0.00 C ATOM 33 O GLY A 4 17.247 5.822 13.327 1.00 0.00 O ATOM 0 H GLY A 4 19.182 4.320 13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.159 7.120 13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.827 6.291 11.824 1.00 0.00 H new ATOM 37 N SER A 5 17.703 7.954 12.751 1.00 0.00 N ATOM 38 CA SER A 5 16.335 8.462 12.837 1.00 0.00 C ATOM 39 C SER A 5 16.171 9.544 11.763 1.00 0.00 C ATOM 40 O SER A 5 16.933 10.514 11.756 1.00 0.00 O ATOM 41 CB SER A 5 16.064 9.016 14.253 1.00 0.00 C ATOM 42 OG SER A 5 16.700 8.239 15.266 1.00 0.00 O ATOM 0 H SER A 5 18.375 8.668 12.470 1.00 0.00 H new ATOM 0 HA SER A 5 15.610 7.667 12.662 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.417 10.046 14.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.989 9.036 14.434 1.00 0.00 H new ATOM 0 HG SER A 5 16.504 8.625 16.145 1.00 0.00 H new ATOM 48 N SER A 6 15.214 9.377 10.849 1.00 0.00 N ATOM 49 CA SER A 6 14.916 10.291 9.747 1.00 0.00 C ATOM 50 C SER A 6 13.413 10.231 9.419 1.00 0.00 C ATOM 51 O SER A 6 12.664 9.483 10.058 1.00 0.00 O ATOM 52 CB SER A 6 15.780 9.858 8.556 1.00 0.00 C ATOM 53 OG SER A 6 15.700 10.722 7.436 1.00 0.00 O ATOM 0 H SER A 6 14.598 8.564 10.858 1.00 0.00 H new ATOM 0 HA SER A 6 15.145 11.325 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.819 9.796 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.481 8.856 8.250 1.00 0.00 H new ATOM 0 HG SER A 6 16.277 10.383 6.720 1.00 0.00 H new ATOM 59 N GLY A 7 12.958 11.057 8.476 1.00 0.00 N ATOM 60 CA GLY A 7 11.576 11.135 8.019 1.00 0.00 C ATOM 61 C GLY A 7 11.429 10.150 6.874 1.00 0.00 C ATOM 62 O GLY A 7 11.434 10.546 5.709 1.00 0.00 O ATOM 0 H GLY A 7 13.569 11.715 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.888 10.890 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.335 12.146 7.691 1.00 0.00 H new ATOM 66 N GLU A 8 11.366 8.863 7.208 1.00 0.00 N ATOM 67 CA GLU A 8 11.247 7.775 6.244 1.00 0.00 C ATOM 68 C GLU A 8 9.978 7.877 5.413 1.00 0.00 C ATOM 69 O GLU A 8 9.954 7.399 4.283 1.00 0.00 O ATOM 70 CB GLU A 8 11.270 6.405 6.926 1.00 0.00 C ATOM 71 CG GLU A 8 12.424 6.252 7.924 1.00 0.00 C ATOM 72 CD GLU A 8 13.269 4.989 7.736 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.741 3.944 7.302 1.00 0.00 O ATOM 74 OE2 GLU A 8 14.494 5.070 7.993 1.00 0.00 O ATOM 0 H GLU A 8 11.397 8.542 8.176 1.00 0.00 H new ATOM 0 HA GLU A 8 12.112 7.871 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.325 6.248 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.349 5.628 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.074 7.123 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.015 6.252 8.934 1.00 0.00 H new ATOM 81 N VAL A 9 8.949 8.558 5.914 1.00 0.00 N ATOM 82 CA VAL A 9 7.703 8.707 5.187 1.00 0.00 C ATOM 83 C VAL A 9 7.931 9.332 3.798 1.00 0.00 C ATOM 84 O VAL A 9 7.205 9.044 2.848 1.00 0.00 O ATOM 85 CB VAL A 9 6.686 9.488 6.048 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.177 10.882 6.486 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.344 9.645 5.328 1.00 0.00 C ATOM 0 H VAL A 9 8.960 9.015 6.826 1.00 0.00 H new ATOM 0 HA VAL A 9 7.278 7.722 4.996 1.00 0.00 H new ATOM 0 HB VAL A 9 6.565 8.883 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.407 11.367 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.087 10.778 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.385 11.488 5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.653 10.199 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.493 10.187 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.929 8.660 5.113 1.00 0.00 H new ATOM 97 N GLN A 10 8.941 10.199 3.662 1.00 0.00 N ATOM 98 CA GLN A 10 9.260 10.851 2.401 1.00 0.00 C ATOM 99 C GLN A 10 10.099 9.969 1.464 1.00 0.00 C ATOM 100 O GLN A 10 10.439 10.427 0.368 1.00 0.00 O ATOM 101 CB GLN A 10 10.022 12.138 2.674 1.00 0.00 C ATOM 102 CG GLN A 10 9.066 13.266 3.053 1.00 0.00 C ATOM 103 CD GLN A 10 9.758 14.204 4.015 1.00 0.00 C ATOM 104 OE1 GLN A 10 10.937 14.546 3.862 1.00 0.00 O ATOM 105 NE2 GLN A 10 9.053 14.562 5.062 1.00 0.00 N ATOM 0 H GLN A 10 9.558 10.464 4.430 1.00 0.00 H new ATOM 0 HA GLN A 10 8.312 11.052 1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.739 11.977 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.594 12.422 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.752 13.808 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.165 12.857 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.083 14.259 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.475 15.143 5.786 1.00 0.00 H new ATOM 114 N LYS A 11 10.518 8.768 1.872 1.00 0.00 N ATOM 115 CA LYS A 11 11.337 7.905 1.026 1.00 0.00 C ATOM 116 C LYS A 11 10.575 7.578 -0.261 1.00 0.00 C ATOM 117 O LYS A 11 9.361 7.369 -0.206 1.00 0.00 O ATOM 118 CB LYS A 11 11.773 6.644 1.792 1.00 0.00 C ATOM 119 CG LYS A 11 12.679 6.931 3.008 1.00 0.00 C ATOM 120 CD LYS A 11 14.178 6.838 2.728 1.00 0.00 C ATOM 121 CE LYS A 11 14.691 7.975 1.848 1.00 0.00 C ATOM 122 NZ LYS A 11 15.999 7.643 1.263 1.00 0.00 N ATOM 0 H LYS A 11 10.301 8.373 2.787 1.00 0.00 H new ATOM 0 HA LYS A 11 12.252 8.427 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.884 6.112 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.300 5.980 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.455 7.930 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.428 6.229 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.720 6.845 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.393 5.885 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.974 8.175 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.774 8.887 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.348 8.452 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.674 7.426 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.901 6.816 0.640 1.00 0.00 H new ATOM 136 N PRO A 12 11.257 7.552 -1.418 1.00 0.00 N ATOM 137 CA PRO A 12 10.619 7.273 -2.696 1.00 0.00 C ATOM 138 C PRO A 12 9.973 5.895 -2.688 1.00 0.00 C ATOM 139 O PRO A 12 10.520 4.958 -2.104 1.00 0.00 O ATOM 140 CB PRO A 12 11.724 7.375 -3.750 1.00 0.00 C ATOM 141 CG PRO A 12 13.015 7.201 -2.960 1.00 0.00 C ATOM 142 CD PRO A 12 12.683 7.769 -1.588 1.00 0.00 C ATOM 0 HA PRO A 12 9.816 7.979 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.618 6.604 -4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.698 8.337 -4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.308 6.153 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.843 7.736 -3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.253 7.267 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.929 8.829 -1.531 1.00 0.00 H new ATOM 150 N LEU A 13 8.832 5.767 -3.371 1.00 0.00 N ATOM 151 CA LEU A 13 8.093 4.513 -3.461 1.00 0.00 C ATOM 152 C LEU A 13 8.996 3.385 -3.965 1.00 0.00 C ATOM 153 O LEU A 13 8.891 2.271 -3.462 1.00 0.00 O ATOM 154 CB LEU A 13 6.819 4.695 -4.315 1.00 0.00 C ATOM 155 CG LEU A 13 6.142 3.388 -4.802 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.648 3.607 -5.044 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.725 2.924 -6.148 1.00 0.00 C ATOM 0 H LEU A 13 8.396 6.537 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 13 7.763 4.221 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.093 5.264 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.072 5.298 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 13 6.317 2.646 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.194 2.676 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.172 3.924 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.511 4.377 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.229 2.005 -6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.566 3.697 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.794 2.740 -6.038 1.00 0.00 H new ATOM 169 N HIS A 14 9.922 3.662 -4.892 1.00 0.00 N ATOM 170 CA HIS A 14 10.811 2.637 -5.430 1.00 0.00 C ATOM 171 C HIS A 14 11.694 1.934 -4.390 1.00 0.00 C ATOM 172 O HIS A 14 12.229 0.875 -4.720 1.00 0.00 O ATOM 173 CB HIS A 14 11.639 3.173 -6.608 1.00 0.00 C ATOM 174 CG HIS A 14 12.536 4.349 -6.320 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.612 4.364 -5.463 1.00 0.00 N ATOM 176 CD2 HIS A 14 12.457 5.583 -6.909 1.00 0.00 C ATOM 177 CE1 HIS A 14 14.141 5.595 -5.511 1.00 0.00 C ATOM 178 NE2 HIS A 14 13.484 6.376 -6.385 1.00 0.00 N ATOM 0 H HIS A 14 10.071 4.592 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 14 10.146 1.856 -5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.256 2.359 -6.990 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.953 3.455 -7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 14 11.731 5.890 -7.647 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.987 5.918 -4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.691 7.347 -6.618 1.00 0.00 H new ATOM 186 N GLU A 15 11.897 2.475 -3.181 1.00 0.00 N ATOM 187 CA GLU A 15 12.726 1.826 -2.156 1.00 0.00 C ATOM 188 C GLU A 15 11.890 1.296 -0.998 1.00 0.00 C ATOM 189 O GLU A 15 12.440 0.714 -0.065 1.00 0.00 O ATOM 190 CB GLU A 15 13.857 2.736 -1.653 1.00 0.00 C ATOM 191 CG GLU A 15 13.456 3.799 -0.620 1.00 0.00 C ATOM 192 CD GLU A 15 14.685 4.329 0.115 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.166 3.680 1.080 1.00 0.00 O ATOM 194 OE2 GLU A 15 15.175 5.425 -0.247 1.00 0.00 O ATOM 0 H GLU A 15 11.496 3.366 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 15 13.196 0.971 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.634 2.109 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.299 3.241 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.941 4.621 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.755 3.371 0.096 1.00 0.00 H new ATOM 201 N GLN A 16 10.584 1.549 -1.023 1.00 0.00 N ATOM 202 CA GLN A 16 9.685 1.109 0.022 1.00 0.00 C ATOM 203 C GLN A 16 9.725 -0.412 0.102 1.00 0.00 C ATOM 204 O GLN A 16 9.603 -1.094 -0.922 1.00 0.00 O ATOM 205 CB GLN A 16 8.265 1.611 -0.241 1.00 0.00 C ATOM 206 CG GLN A 16 8.139 3.137 -0.139 1.00 0.00 C ATOM 207 CD GLN A 16 8.270 3.706 1.271 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.047 3.038 2.274 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.607 4.978 1.384 1.00 0.00 N ATOM 0 H GLN A 16 10.126 2.066 -1.773 1.00 0.00 H new ATOM 0 HA GLN A 16 10.004 1.524 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.951 1.292 -1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.584 1.147 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.903 3.592 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.172 3.434 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.792 5.533 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.682 5.406 2.307 1.00 0.00 H new ATOM 218 N LEU A 17 9.854 -0.940 1.318 1.00 0.00 N ATOM 219 CA LEU A 17 9.899 -2.377 1.583 1.00 0.00 C ATOM 220 C LEU A 17 8.655 -3.088 1.048 1.00 0.00 C ATOM 221 O LEU A 17 8.753 -4.237 0.621 1.00 0.00 O ATOM 222 CB LEU A 17 10.190 -2.685 3.070 1.00 0.00 C ATOM 223 CG LEU A 17 9.176 -2.359 4.192 1.00 0.00 C ATOM 224 CD1 LEU A 17 8.629 -0.932 4.142 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.025 -3.360 4.312 1.00 0.00 C ATOM 0 H LEU A 17 9.932 -0.371 2.161 1.00 0.00 H new ATOM 0 HA LEU A 17 10.743 -2.787 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.396 -3.753 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.115 -2.166 3.323 1.00 0.00 H new ATOM 0 HG LEU A 17 9.780 -2.450 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.925 -0.783 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.452 -0.223 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.119 -0.771 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.362 -3.056 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.467 -3.386 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.426 -4.351 4.523 1.00 0.00 H new ATOM 237 N TRP A 18 7.519 -2.390 0.981 1.00 0.00 N ATOM 238 CA TRP A 18 6.246 -2.901 0.493 1.00 0.00 C ATOM 239 C TRP A 18 6.044 -2.700 -1.013 1.00 0.00 C ATOM 240 O TRP A 18 4.953 -2.987 -1.514 1.00 0.00 O ATOM 241 CB TRP A 18 5.117 -2.241 1.296 1.00 0.00 C ATOM 242 CG TRP A 18 5.185 -0.758 1.525 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.498 -0.164 2.699 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.925 0.337 0.591 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.405 1.205 2.566 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.024 1.568 1.297 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.642 0.427 -0.787 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.806 2.808 0.681 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.453 1.667 -1.429 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.518 2.861 -0.692 1.00 0.00 C ATOM 0 H TRP A 18 7.464 -1.416 1.278 1.00 0.00 H new ATOM 0 HA TRP A 18 6.238 -3.981 0.640 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.177 -2.457 0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.073 -2.727 2.271 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.778 -0.683 3.603 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.596 1.867 3.318 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.568 -0.481 -1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.859 3.718 1.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.258 1.699 -2.491 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.348 3.811 -1.177 1.00 0.00 H new ATOM 261 N TYR A 19 7.020 -2.166 -1.754 1.00 0.00 N ATOM 262 CA TYR A 19 6.892 -1.954 -3.189 1.00 0.00 C ATOM 263 C TYR A 19 7.583 -3.090 -3.940 1.00 0.00 C ATOM 264 O TYR A 19 8.720 -2.982 -4.404 1.00 0.00 O ATOM 265 CB TYR A 19 7.395 -0.574 -3.600 1.00 0.00 C ATOM 266 CG TYR A 19 7.284 -0.403 -5.102 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.029 -0.540 -5.727 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.442 -0.230 -5.881 1.00 0.00 C ATOM 269 CE1 TYR A 19 5.923 -0.451 -7.124 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.348 -0.137 -7.279 1.00 0.00 C ATOM 271 CZ TYR A 19 7.083 -0.235 -7.902 1.00 0.00 C ATOM 272 OH TYR A 19 6.975 -0.147 -9.253 1.00 0.00 O ATOM 0 H TYR A 19 7.918 -1.871 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 19 5.837 -1.973 -3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.815 0.198 -3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.432 -0.449 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.146 -0.714 -5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.408 -0.168 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.959 -0.547 -7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.237 0.009 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 19 7.861 0.004 -9.643 1.00 0.00 H new ATOM 282 N HIS A 20 6.847 -4.186 -4.097 1.00 0.00 N ATOM 283 CA HIS A 20 7.342 -5.387 -4.763 1.00 0.00 C ATOM 284 C HIS A 20 7.461 -5.247 -6.289 1.00 0.00 C ATOM 285 O HIS A 20 8.028 -6.132 -6.929 1.00 0.00 O ATOM 286 CB HIS A 20 6.476 -6.596 -4.383 1.00 0.00 C ATOM 287 CG HIS A 20 6.463 -6.923 -2.905 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.005 -8.039 -2.306 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.902 -6.173 -1.908 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.766 -7.945 -0.985 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.085 -6.830 -0.701 1.00 0.00 N ATOM 0 H HIS A 20 5.886 -4.267 -3.764 1.00 0.00 H new ATOM 0 HA HIS A 20 8.360 -5.543 -4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.453 -6.410 -4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.832 -7.468 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.400 -5.226 -2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.082 -8.673 -0.252 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.765 -6.524 0.218 1.00 0.00 H new ATOM 299 N GLY A 21 6.954 -4.169 -6.897 1.00 0.00 N ATOM 300 CA GLY A 21 7.025 -3.965 -8.342 1.00 0.00 C ATOM 301 C GLY A 21 5.801 -4.523 -9.064 1.00 0.00 C ATOM 302 O GLY A 21 4.768 -4.792 -8.451 1.00 0.00 O ATOM 0 H GLY A 21 6.483 -3.415 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.115 -2.899 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.924 -4.444 -8.731 1.00 0.00 H new ATOM 306 N ALA A 22 5.881 -4.679 -10.387 1.00 0.00 N ATOM 307 CA ALA A 22 4.804 -5.192 -11.238 1.00 0.00 C ATOM 308 C ALA A 22 4.591 -6.719 -11.130 1.00 0.00 C ATOM 309 O ALA A 22 4.121 -7.338 -12.088 1.00 0.00 O ATOM 310 CB ALA A 22 5.077 -4.761 -12.686 1.00 0.00 C ATOM 0 H ALA A 22 6.723 -4.445 -10.913 1.00 0.00 H new ATOM 0 HA ALA A 22 3.868 -4.760 -10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.284 -5.135 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.108 -3.673 -12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.034 -5.168 -13.013 1.00 0.00 H new ATOM 316 N ILE A 23 4.930 -7.342 -9.998 1.00 0.00 N ATOM 317 CA ILE A 23 4.802 -8.782 -9.760 1.00 0.00 C ATOM 318 C ILE A 23 3.375 -9.306 -9.994 1.00 0.00 C ATOM 319 O ILE A 23 2.410 -8.565 -9.769 1.00 0.00 O ATOM 320 CB ILE A 23 5.297 -9.143 -8.338 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.525 -8.436 -7.198 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.791 -8.807 -8.247 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.657 -9.168 -5.855 1.00 0.00 C ATOM 0 H ILE A 23 5.313 -6.842 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 23 5.435 -9.279 -10.494 1.00 0.00 H new ATOM 0 HB ILE A 23 5.115 -10.208 -8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.896 -7.417 -7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.471 -8.365 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.160 -9.054 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.340 -9.384 -8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.937 -7.743 -8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.097 -8.630 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.261 -10.179 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.708 -9.216 -5.568 1.00 0.00 H new ATOM 335 N PRO A 24 3.213 -10.576 -10.413 1.00 0.00 N ATOM 336 CA PRO A 24 1.907 -11.162 -10.648 1.00 0.00 C ATOM 337 C PRO A 24 1.222 -11.530 -9.329 1.00 0.00 C ATOM 338 O PRO A 24 1.842 -11.712 -8.278 1.00 0.00 O ATOM 339 CB PRO A 24 2.159 -12.382 -11.530 1.00 0.00 C ATOM 340 CG PRO A 24 3.539 -12.849 -11.083 1.00 0.00 C ATOM 341 CD PRO A 24 4.255 -11.545 -10.727 1.00 0.00 C ATOM 0 HA PRO A 24 1.228 -10.464 -11.138 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.403 -13.153 -11.378 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.143 -12.125 -12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.478 -13.521 -10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.057 -13.389 -11.876 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.922 -11.688 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.869 -11.199 -11.559 1.00 0.00 H new ATOM 349 N ARG A 25 -0.088 -11.740 -9.408 1.00 0.00 N ATOM 350 CA ARG A 25 -0.962 -12.068 -8.291 1.00 0.00 C ATOM 351 C ARG A 25 -0.622 -13.324 -7.504 1.00 0.00 C ATOM 352 O ARG A 25 -1.027 -13.402 -6.340 1.00 0.00 O ATOM 353 CB ARG A 25 -2.419 -12.044 -8.791 1.00 0.00 C ATOM 354 CG ARG A 25 -2.820 -13.101 -9.843 1.00 0.00 C ATOM 355 CD ARG A 25 -3.091 -14.527 -9.340 1.00 0.00 C ATOM 356 NE ARG A 25 -4.098 -14.574 -8.270 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.422 -14.498 -8.436 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.962 -14.329 -9.642 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.199 -14.587 -7.367 1.00 0.00 N ATOM 0 H ARG A 25 -0.591 -11.683 -10.294 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.802 -11.299 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.075 -12.160 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.616 -11.058 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.716 -12.747 -10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.028 -13.151 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.425 -15.144 -10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.160 -14.961 -8.975 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.755 -14.674 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.362 -14.255 -10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.975 -14.274 -9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.784 -14.711 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.213 -14.532 -7.467 1.00 0.00 H new ATOM 373 N ALA A 26 0.070 -14.290 -8.105 1.00 0.00 N ATOM 374 CA ALA A 26 0.435 -15.510 -7.402 1.00 0.00 C ATOM 375 C ALA A 26 1.523 -15.200 -6.376 1.00 0.00 C ATOM 376 O ALA A 26 1.526 -15.767 -5.288 1.00 0.00 O ATOM 377 CB ALA A 26 0.931 -16.559 -8.401 1.00 0.00 C ATOM 0 H ALA A 26 0.387 -14.249 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.439 -15.907 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.203 -17.470 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.141 -16.781 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.803 -16.174 -8.929 1.00 0.00 H new ATOM 383 N GLU A 27 2.431 -14.283 -6.715 1.00 0.00 N ATOM 384 CA GLU A 27 3.528 -13.909 -5.833 1.00 0.00 C ATOM 385 C GLU A 27 2.975 -13.089 -4.682 1.00 0.00 C ATOM 386 O GLU A 27 3.332 -13.316 -3.529 1.00 0.00 O ATOM 387 CB GLU A 27 4.576 -13.085 -6.595 1.00 0.00 C ATOM 388 CG GLU A 27 5.210 -13.798 -7.793 1.00 0.00 C ATOM 389 CD GLU A 27 6.177 -14.926 -7.442 1.00 0.00 C ATOM 390 OE1 GLU A 27 5.841 -15.811 -6.627 1.00 0.00 O ATOM 391 OE2 GLU A 27 7.248 -14.983 -8.091 1.00 0.00 O ATOM 0 H GLU A 27 2.424 -13.784 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 27 4.007 -14.812 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.109 -12.164 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.366 -12.799 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.414 -14.205 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.741 -13.060 -8.395 1.00 0.00 H new ATOM 398 N VAL A 28 2.069 -12.162 -5.004 1.00 0.00 N ATOM 399 CA VAL A 28 1.431 -11.274 -4.049 1.00 0.00 C ATOM 400 C VAL A 28 0.743 -12.064 -2.940 1.00 0.00 C ATOM 401 O VAL A 28 0.890 -11.723 -1.769 1.00 0.00 O ATOM 402 CB VAL A 28 0.431 -10.356 -4.778 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.355 -9.471 -3.805 1.00 0.00 C ATOM 404 CG2 VAL A 28 1.130 -9.431 -5.775 1.00 0.00 C ATOM 0 H VAL A 28 1.756 -12.010 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 28 2.197 -10.655 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.249 -11.029 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.047 -8.841 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.915 -10.100 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.337 -8.842 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.390 -8.801 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.848 -8.803 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.652 -10.029 -6.522 1.00 0.00 H new ATOM 414 N ALA A 29 -0.026 -13.094 -3.302 1.00 0.00 N ATOM 415 CA ALA A 29 -0.758 -13.913 -2.349 1.00 0.00 C ATOM 416 C ALA A 29 0.116 -14.574 -1.286 1.00 0.00 C ATOM 417 O ALA A 29 -0.400 -14.871 -0.214 1.00 0.00 O ATOM 418 CB ALA A 29 -1.538 -14.981 -3.113 1.00 0.00 C ATOM 0 H ALA A 29 -0.155 -13.380 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.425 -13.242 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.091 -15.602 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.236 -14.501 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.844 -15.604 -3.678 1.00 0.00 H new ATOM 424 N GLU A 30 1.401 -14.779 -1.554 1.00 0.00 N ATOM 425 CA GLU A 30 2.322 -15.423 -0.626 1.00 0.00 C ATOM 426 C GLU A 30 2.971 -14.408 0.334 1.00 0.00 C ATOM 427 O GLU A 30 3.762 -14.787 1.200 1.00 0.00 O ATOM 428 CB GLU A 30 3.318 -16.258 -1.461 1.00 0.00 C ATOM 429 CG GLU A 30 2.555 -17.361 -2.231 1.00 0.00 C ATOM 430 CD GLU A 30 3.394 -18.151 -3.236 1.00 0.00 C ATOM 431 OE1 GLU A 30 4.369 -18.816 -2.828 1.00 0.00 O ATOM 432 OE2 GLU A 30 2.959 -18.300 -4.407 1.00 0.00 O ATOM 0 H GLU A 30 1.837 -14.499 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 30 1.796 -16.102 0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.850 -15.614 -2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.067 -16.708 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.130 -18.058 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.720 -16.901 -2.760 1.00 0.00 H new ATOM 439 N LEU A 31 2.638 -13.113 0.218 1.00 0.00 N ATOM 440 CA LEU A 31 3.176 -12.059 1.063 1.00 0.00 C ATOM 441 C LEU A 31 2.231 -11.771 2.226 1.00 0.00 C ATOM 442 O LEU A 31 2.690 -11.654 3.363 1.00 0.00 O ATOM 443 CB LEU A 31 3.379 -10.778 0.244 1.00 0.00 C ATOM 444 CG LEU A 31 4.218 -10.948 -1.032 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.095 -9.661 -1.845 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.677 -11.281 -0.701 1.00 0.00 C ATOM 0 H LEU A 31 1.976 -12.773 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 31 4.135 -12.394 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.401 -10.383 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.857 -10.031 0.878 1.00 0.00 H new ATOM 0 HG LEU A 31 3.847 -11.788 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.681 -9.751 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.049 -9.490 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.467 -8.822 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.243 -11.395 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.109 -10.475 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.718 -12.211 -0.134 1.00 0.00 H new ATOM 458 N LEU A 32 0.931 -11.608 1.943 1.00 0.00 N ATOM 459 CA LEU A 32 -0.089 -11.320 2.955 1.00 0.00 C ATOM 460 C LEU A 32 -0.521 -12.623 3.628 1.00 0.00 C ATOM 461 O LEU A 32 -1.112 -13.487 2.975 1.00 0.00 O ATOM 462 CB LEU A 32 -1.329 -10.581 2.396 1.00 0.00 C ATOM 463 CG LEU A 32 -1.159 -9.787 1.092 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.450 -10.698 -0.104 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.130 -8.612 0.994 1.00 0.00 C ATOM 0 H LEU A 32 0.557 -11.673 0.996 1.00 0.00 H new ATOM 0 HA LEU A 32 0.369 -10.645 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.117 -11.318 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.684 -9.893 3.164 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.135 -9.413 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.329 -10.134 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.756 -11.539 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.472 -11.071 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.968 -8.084 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.154 -8.983 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.961 -7.930 1.827 1.00 0.00 H new ATOM 477 N VAL A 33 -0.258 -12.767 4.925 1.00 0.00 N ATOM 478 CA VAL A 33 -0.620 -13.963 5.681 1.00 0.00 C ATOM 479 C VAL A 33 -1.779 -13.660 6.634 1.00 0.00 C ATOM 480 O VAL A 33 -2.633 -14.536 6.813 1.00 0.00 O ATOM 481 CB VAL A 33 0.616 -14.537 6.410 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.309 -15.817 7.205 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.710 -14.933 5.413 1.00 0.00 C ATOM 0 H VAL A 33 0.214 -12.055 5.483 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.967 -14.734 4.993 1.00 0.00 H new ATOM 0 HB VAL A 33 0.933 -13.739 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.218 -16.169 7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.449 -15.604 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.060 -16.587 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.567 -15.334 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.324 -15.691 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.018 -14.056 4.843 1.00 0.00 H new ATOM 493 N HIS A 34 -1.865 -12.444 7.190 1.00 0.00 N ATOM 494 CA HIS A 34 -2.900 -12.044 8.143 1.00 0.00 C ATOM 495 C HIS A 34 -3.665 -10.782 7.739 1.00 0.00 C ATOM 496 O HIS A 34 -3.255 -10.032 6.855 1.00 0.00 O ATOM 497 CB HIS A 34 -2.215 -11.778 9.490 1.00 0.00 C ATOM 498 CG HIS A 34 -1.397 -12.913 10.053 1.00 0.00 C ATOM 499 ND1 HIS A 34 -0.292 -12.764 10.853 1.00 0.00 N ATOM 500 CD2 HIS A 34 -1.624 -14.255 9.911 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.135 -13.984 11.196 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.655 -14.931 10.663 1.00 0.00 N ATOM 0 H HIS A 34 -1.201 -11.698 6.983 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.630 -12.853 8.185 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.566 -10.909 9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.981 -11.513 10.218 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.409 -14.710 9.325 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.997 -14.181 11.816 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.567 -15.940 10.782 1.00 0.00 H new ATOM 510 N SER A 35 -4.785 -10.536 8.421 1.00 0.00 N ATOM 511 CA SER A 35 -5.634 -9.377 8.197 1.00 0.00 C ATOM 512 C SER A 35 -4.859 -8.113 8.590 1.00 0.00 C ATOM 513 O SER A 35 -4.373 -8.026 9.725 1.00 0.00 O ATOM 514 CB SER A 35 -6.910 -9.516 9.035 1.00 0.00 C ATOM 515 OG SER A 35 -7.609 -10.703 8.689 1.00 0.00 O ATOM 0 H SER A 35 -5.129 -11.152 9.158 1.00 0.00 H new ATOM 0 HA SER A 35 -5.916 -9.307 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.655 -9.533 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.552 -8.650 8.876 1.00 0.00 H new ATOM 0 HG SER A 35 -8.420 -10.776 9.235 1.00 0.00 H new ATOM 521 N GLY A 36 -4.760 -7.133 7.687 1.00 0.00 N ATOM 522 CA GLY A 36 -4.054 -5.882 7.916 1.00 0.00 C ATOM 523 C GLY A 36 -2.724 -5.829 7.171 1.00 0.00 C ATOM 524 O GLY A 36 -2.140 -4.745 7.067 1.00 0.00 O ATOM 0 H GLY A 36 -5.179 -7.195 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.681 -5.049 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.876 -5.757 8.984 1.00 0.00 H new ATOM 528 N ASP A 37 -2.257 -6.971 6.657 1.00 0.00 N ATOM 529 CA ASP A 37 -1.016 -7.080 5.900 1.00 0.00 C ATOM 530 C ASP A 37 -1.264 -6.383 4.569 1.00 0.00 C ATOM 531 O ASP A 37 -2.287 -6.664 3.936 1.00 0.00 O ATOM 532 CB ASP A 37 -0.666 -8.549 5.606 1.00 0.00 C ATOM 533 CG ASP A 37 -0.092 -9.337 6.781 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.077 -8.783 7.894 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.217 -10.539 6.596 1.00 0.00 O ATOM 0 H ASP A 37 -2.745 -7.861 6.760 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.197 -6.640 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.566 -9.056 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.053 -8.576 4.787 1.00 0.00 H new ATOM 540 N PHE A 38 -0.350 -5.522 4.112 1.00 0.00 N ATOM 541 CA PHE A 38 -0.483 -4.804 2.849 1.00 0.00 C ATOM 542 C PHE A 38 0.831 -4.623 2.087 1.00 0.00 C ATOM 543 O PHE A 38 1.914 -4.614 2.673 1.00 0.00 O ATOM 544 CB PHE A 38 -1.068 -3.404 3.109 1.00 0.00 C ATOM 545 CG PHE A 38 -0.073 -2.379 3.620 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.164 -2.239 4.997 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.664 -1.602 2.701 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.127 -1.320 5.449 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.640 -0.705 3.155 1.00 0.00 C ATOM 550 CZ PHE A 38 1.859 -0.548 4.531 1.00 0.00 C ATOM 0 H PHE A 38 0.510 -5.304 4.616 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.138 -5.419 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.507 -3.032 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.878 -3.494 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.391 -2.835 5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.475 -1.699 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.305 -1.207 6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.223 -0.135 2.446 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.589 0.165 4.885 1.00 0.00 H new ATOM 560 N LEU A 39 0.712 -4.415 0.772 1.00 0.00 N ATOM 561 CA LEU A 39 1.796 -4.169 -0.177 1.00 0.00 C ATOM 562 C LEU A 39 1.256 -3.403 -1.379 1.00 0.00 C ATOM 563 O LEU A 39 0.041 -3.328 -1.572 1.00 0.00 O ATOM 564 CB LEU A 39 2.557 -5.434 -0.615 1.00 0.00 C ATOM 565 CG LEU A 39 1.861 -6.544 -1.425 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.649 -7.137 -0.713 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.534 -6.138 -2.871 1.00 0.00 C ATOM 0 H LEU A 39 -0.201 -4.414 0.317 1.00 0.00 H new ATOM 0 HA LEU A 39 2.539 -3.567 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.414 -5.103 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.949 -5.899 0.290 1.00 0.00 H new ATOM 0 HG LEU A 39 2.603 -7.340 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.204 -7.913 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.961 -7.570 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.086 -6.353 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.045 -6.969 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.869 -5.274 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.455 -5.883 -3.394 1.00 0.00 H new ATOM 579 N VAL A 40 2.142 -2.846 -2.201 1.00 0.00 N ATOM 580 CA VAL A 40 1.798 -2.091 -3.399 1.00 0.00 C ATOM 581 C VAL A 40 2.495 -2.763 -4.573 1.00 0.00 C ATOM 582 O VAL A 40 3.685 -3.082 -4.503 1.00 0.00 O ATOM 583 CB VAL A 40 2.219 -0.612 -3.256 1.00 0.00 C ATOM 584 CG1 VAL A 40 1.987 0.212 -4.533 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.461 0.077 -2.111 1.00 0.00 C ATOM 0 H VAL A 40 3.148 -2.910 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 40 0.720 -2.089 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 40 3.289 -0.643 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.304 1.241 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.565 -0.216 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.928 0.196 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.780 1.117 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.390 0.040 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.674 -0.436 -1.173 1.00 0.00 H new ATOM 595 N ARG A 41 1.745 -3.005 -5.648 1.00 0.00 N ATOM 596 CA ARG A 41 2.261 -3.608 -6.869 1.00 0.00 C ATOM 597 C ARG A 41 1.906 -2.669 -8.011 1.00 0.00 C ATOM 598 O ARG A 41 1.002 -1.841 -7.866 1.00 0.00 O ATOM 599 CB ARG A 41 1.715 -5.035 -7.061 1.00 0.00 C ATOM 600 CG ARG A 41 0.218 -5.069 -7.431 1.00 0.00 C ATOM 601 CD ARG A 41 -0.270 -6.520 -7.460 1.00 0.00 C ATOM 602 NE ARG A 41 -1.714 -6.675 -7.724 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.374 -6.479 -8.877 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.775 -5.987 -9.952 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.662 -6.793 -8.956 1.00 0.00 N ATOM 0 H ARG A 41 0.750 -2.784 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 41 3.343 -3.729 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.287 -5.534 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.869 -5.602 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.359 -4.495 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.063 -4.603 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.286 -7.062 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.036 -6.988 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.283 -6.968 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.785 -5.745 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.304 -5.850 -10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.143 -7.180 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.170 -6.647 -9.828 1.00 0.00 H new ATOM 619 N GLU A 42 2.609 -2.762 -9.129 1.00 0.00 N ATOM 620 CA GLU A 42 2.323 -1.917 -10.280 1.00 0.00 C ATOM 621 C GLU A 42 1.464 -2.717 -11.260 1.00 0.00 C ATOM 622 O GLU A 42 1.597 -3.940 -11.366 1.00 0.00 O ATOM 623 CB GLU A 42 3.622 -1.382 -10.892 1.00 0.00 C ATOM 624 CG GLU A 42 3.297 -0.508 -12.110 1.00 0.00 C ATOM 625 CD GLU A 42 4.446 0.378 -12.563 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.619 -0.040 -12.526 1.00 0.00 O ATOM 627 OE2 GLU A 42 4.159 1.502 -13.035 1.00 0.00 O ATOM 0 H GLU A 42 3.382 -3.414 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 42 1.757 -1.032 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.172 -0.801 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.265 -2.211 -11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.001 -1.153 -12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.439 0.121 -11.874 1.00 0.00 H new ATOM 634 N SER A 43 0.554 -2.029 -11.947 1.00 0.00 N ATOM 635 CA SER A 43 -0.332 -2.628 -12.921 1.00 0.00 C ATOM 636 C SER A 43 0.444 -3.093 -14.151 1.00 0.00 C ATOM 637 O SER A 43 1.481 -2.541 -14.527 1.00 0.00 O ATOM 638 CB SER A 43 -1.388 -1.612 -13.354 1.00 0.00 C ATOM 639 OG SER A 43 -2.209 -1.218 -12.272 1.00 0.00 O ATOM 0 H SER A 43 0.416 -1.025 -11.835 1.00 0.00 H new ATOM 0 HA SER A 43 -0.811 -3.491 -12.458 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.898 -0.735 -13.777 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.006 -2.043 -14.142 1.00 0.00 H new ATOM 0 HG SER A 43 -1.681 -0.693 -11.635 1.00 0.00 H new ATOM 645 N GLN A 44 -0.110 -4.108 -14.802 1.00 0.00 N ATOM 646 CA GLN A 44 0.429 -4.719 -16.002 1.00 0.00 C ATOM 647 C GLN A 44 0.247 -3.711 -17.144 1.00 0.00 C ATOM 648 O GLN A 44 -0.887 -3.293 -17.415 1.00 0.00 O ATOM 649 CB GLN A 44 -0.264 -6.074 -16.289 1.00 0.00 C ATOM 650 CG GLN A 44 -1.205 -6.592 -15.183 1.00 0.00 C ATOM 651 CD GLN A 44 -1.760 -7.976 -15.486 1.00 0.00 C ATOM 652 OE1 GLN A 44 -2.292 -8.222 -16.568 1.00 0.00 O ATOM 653 NE2 GLN A 44 -1.695 -8.898 -14.547 1.00 0.00 N ATOM 0 H GLN A 44 -0.980 -4.542 -14.494 1.00 0.00 H new ATOM 0 HA GLN A 44 1.488 -4.949 -15.886 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.836 -5.980 -17.212 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.506 -6.825 -16.466 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.665 -6.620 -14.236 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.032 -5.893 -15.058 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.252 -8.685 -13.653 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.088 -9.825 -14.714 1.00 0.00 H new ATOM 662 N GLY A 45 1.337 -3.297 -17.792 1.00 0.00 N ATOM 663 CA GLY A 45 1.334 -2.346 -18.900 1.00 0.00 C ATOM 664 C GLY A 45 1.101 -0.917 -18.415 1.00 0.00 C ATOM 665 O GLY A 45 2.049 -0.132 -18.304 1.00 0.00 O ATOM 0 H GLY A 45 2.273 -3.625 -17.552 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.285 -2.400 -19.429 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.556 -2.620 -19.613 1.00 0.00 H new ATOM 669 N LYS A 46 -0.152 -0.603 -18.097 1.00 0.00 N ATOM 670 CA LYS A 46 -0.651 0.676 -17.609 1.00 0.00 C ATOM 671 C LYS A 46 0.150 1.083 -16.382 1.00 0.00 C ATOM 672 O LYS A 46 0.328 0.271 -15.474 1.00 0.00 O ATOM 673 CB LYS A 46 -2.144 0.492 -17.286 1.00 0.00 C ATOM 674 CG LYS A 46 -2.990 1.769 -17.254 1.00 0.00 C ATOM 675 CD LYS A 46 -2.875 2.623 -16.000 1.00 0.00 C ATOM 676 CE LYS A 46 -3.909 3.761 -15.978 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.589 4.869 -16.903 1.00 0.00 N ATOM 0 H LYS A 46 -0.901 -1.290 -18.181 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.541 1.468 -18.349 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.574 -0.185 -18.024 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.227 0.001 -16.316 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.716 2.383 -18.112 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.036 1.490 -17.383 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.010 1.994 -15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.872 3.044 -15.940 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.888 3.356 -16.234 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.982 4.155 -14.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.326 5.600 -16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.669 5.281 -16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.547 4.507 -17.877 1.00 0.00 H new ATOM 691 N GLN A 47 0.618 2.323 -16.340 1.00 0.00 N ATOM 692 CA GLN A 47 1.394 2.837 -15.231 1.00 0.00 C ATOM 693 C GLN A 47 0.463 3.311 -14.108 1.00 0.00 C ATOM 694 O GLN A 47 0.215 4.512 -13.981 1.00 0.00 O ATOM 695 CB GLN A 47 2.347 3.931 -15.753 1.00 0.00 C ATOM 696 CG GLN A 47 3.312 4.470 -14.692 1.00 0.00 C ATOM 697 CD GLN A 47 4.100 5.652 -15.234 1.00 0.00 C ATOM 698 OE1 GLN A 47 3.625 6.788 -15.222 1.00 0.00 O ATOM 699 NE2 GLN A 47 5.312 5.432 -15.709 1.00 0.00 N ATOM 0 H GLN A 47 0.465 3.003 -17.085 1.00 0.00 H new ATOM 0 HA GLN A 47 2.013 2.055 -14.792 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.925 3.529 -16.585 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.755 4.758 -16.146 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.754 4.774 -13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.997 3.681 -14.382 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.694 4.486 -15.713 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.866 6.208 -16.072 1.00 0.00 H new ATOM 708 N GLU A 48 -0.106 2.384 -13.333 1.00 0.00 N ATOM 709 CA GLU A 48 -0.969 2.680 -12.186 1.00 0.00 C ATOM 710 C GLU A 48 -0.637 1.716 -11.039 1.00 0.00 C ATOM 711 O GLU A 48 -0.496 0.514 -11.277 1.00 0.00 O ATOM 712 CB GLU A 48 -2.438 2.565 -12.601 1.00 0.00 C ATOM 713 CG GLU A 48 -3.446 2.940 -11.512 1.00 0.00 C ATOM 714 CD GLU A 48 -3.640 4.451 -11.432 1.00 0.00 C ATOM 715 OE1 GLU A 48 -2.667 5.178 -11.116 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.783 4.911 -11.669 1.00 0.00 O ATOM 0 H GLU A 48 0.023 1.384 -13.489 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.795 3.699 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.607 3.204 -13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.632 1.540 -12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.402 2.459 -11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.101 2.564 -10.549 1.00 0.00 H new ATOM 723 N TYR A 49 -0.522 2.204 -9.802 1.00 0.00 N ATOM 724 CA TYR A 49 -0.226 1.380 -8.636 1.00 0.00 C ATOM 725 C TYR A 49 -1.513 0.784 -8.057 1.00 0.00 C ATOM 726 O TYR A 49 -2.600 1.366 -8.136 1.00 0.00 O ATOM 727 CB TYR A 49 0.515 2.211 -7.582 1.00 0.00 C ATOM 728 CG TYR A 49 1.869 2.716 -8.040 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.909 1.803 -8.304 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.081 4.094 -8.232 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.154 2.267 -8.765 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.323 4.565 -8.687 1.00 0.00 C ATOM 733 CZ TYR A 49 4.366 3.651 -8.949 1.00 0.00 C ATOM 734 OH TYR A 49 5.559 4.092 -9.423 1.00 0.00 O ATOM 0 H TYR A 49 -0.634 3.194 -9.583 1.00 0.00 H new ATOM 0 HA TYR A 49 0.417 0.555 -8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.105 3.063 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.648 1.607 -6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.750 0.746 -8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.284 4.793 -8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.947 1.566 -8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.480 5.623 -8.836 1.00 0.00 H new ATOM 0 HH TYR A 49 5.542 5.069 -9.493 1.00 0.00 H new ATOM 744 N VAL A 50 -1.379 -0.369 -7.406 1.00 0.00 N ATOM 745 CA VAL A 50 -2.470 -1.109 -6.798 1.00 0.00 C ATOM 746 C VAL A 50 -2.051 -1.558 -5.407 1.00 0.00 C ATOM 747 O VAL A 50 -1.042 -2.247 -5.247 1.00 0.00 O ATOM 748 CB VAL A 50 -2.823 -2.321 -7.684 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.887 -3.208 -7.022 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.322 -1.884 -9.066 1.00 0.00 C ATOM 0 H VAL A 50 -0.475 -0.825 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.353 -0.477 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.904 -2.895 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.113 -4.053 -7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.511 -3.576 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.793 -2.626 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.561 -2.765 -9.662 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.215 -1.269 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.545 -1.306 -9.567 1.00 0.00 H new ATOM 760 N LEU A 51 -2.804 -1.130 -4.397 1.00 0.00 N ATOM 761 CA LEU A 51 -2.572 -1.502 -3.013 1.00 0.00 C ATOM 762 C LEU A 51 -3.295 -2.830 -2.824 1.00 0.00 C ATOM 763 O LEU A 51 -4.462 -2.949 -3.210 1.00 0.00 O ATOM 764 CB LEU A 51 -3.214 -0.464 -2.079 1.00 0.00 C ATOM 765 CG LEU A 51 -2.982 -0.733 -0.581 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.527 -0.539 -0.156 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.865 0.201 0.243 1.00 0.00 C ATOM 0 H LEU A 51 -3.602 -0.507 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.507 -1.563 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.820 0.522 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.287 -0.435 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.237 -1.778 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.429 -0.743 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.890 -1.223 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.223 0.488 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.703 0.013 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.612 1.236 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.912 0.022 -0.001 1.00 0.00 H new ATOM 779 N SER A 52 -2.646 -3.845 -2.266 1.00 0.00 N ATOM 780 CA SER A 52 -3.287 -5.118 -2.019 1.00 0.00 C ATOM 781 C SER A 52 -3.156 -5.339 -0.521 1.00 0.00 C ATOM 782 O SER A 52 -2.057 -5.205 0.014 1.00 0.00 O ATOM 783 CB SER A 52 -2.665 -6.227 -2.869 1.00 0.00 C ATOM 784 OG SER A 52 -3.515 -7.362 -2.914 1.00 0.00 O ATOM 0 H SER A 52 -1.669 -3.804 -1.976 1.00 0.00 H new ATOM 0 HA SER A 52 -4.337 -5.129 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.486 -5.860 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.696 -6.508 -2.456 1.00 0.00 H new ATOM 0 HG SER A 52 -4.126 -7.283 -3.676 1.00 0.00 H new ATOM 790 N VAL A 53 -4.269 -5.557 0.176 1.00 0.00 N ATOM 791 CA VAL A 53 -4.242 -5.822 1.616 1.00 0.00 C ATOM 792 C VAL A 53 -5.162 -7.008 1.881 1.00 0.00 C ATOM 793 O VAL A 53 -6.116 -7.230 1.130 1.00 0.00 O ATOM 794 CB VAL A 53 -4.492 -4.589 2.519 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.268 -3.231 1.855 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.835 -4.529 3.176 1.00 0.00 C ATOM 0 H VAL A 53 -5.204 -5.556 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.225 -6.080 1.910 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.724 -4.762 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.470 -2.437 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.235 -3.158 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.939 -3.128 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.903 -3.627 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.613 -4.512 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.969 -5.405 3.811 1.00 0.00 H new ATOM 806 N LEU A 54 -4.881 -7.774 2.929 1.00 0.00 N ATOM 807 CA LEU A 54 -5.656 -8.945 3.306 1.00 0.00 C ATOM 808 C LEU A 54 -6.580 -8.601 4.465 1.00 0.00 C ATOM 809 O LEU A 54 -6.208 -7.827 5.347 1.00 0.00 O ATOM 810 CB LEU A 54 -4.657 -10.060 3.633 1.00 0.00 C ATOM 811 CG LEU A 54 -5.241 -11.367 4.186 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.293 -11.973 3.253 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.091 -12.368 4.332 1.00 0.00 C ATOM 0 H LEU A 54 -4.093 -7.593 3.551 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.306 -9.287 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.099 -10.293 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.941 -9.674 4.358 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.725 -11.152 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.676 -12.896 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.112 -11.266 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.840 -12.188 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.476 -13.309 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.633 -12.541 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.345 -11.967 5.018 1.00 0.00 H new ATOM 825 N TRP A 55 -7.793 -9.155 4.452 1.00 0.00 N ATOM 826 CA TRP A 55 -8.814 -8.967 5.468 1.00 0.00 C ATOM 827 C TRP A 55 -9.857 -10.067 5.276 1.00 0.00 C ATOM 828 O TRP A 55 -10.175 -10.399 4.132 1.00 0.00 O ATOM 829 CB TRP A 55 -9.466 -7.597 5.267 1.00 0.00 C ATOM 830 CG TRP A 55 -10.131 -7.005 6.469 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.457 -7.013 6.726 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.524 -6.224 7.540 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.712 -6.271 7.861 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.558 -5.739 8.392 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.204 -5.844 7.852 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.300 -4.898 9.485 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.933 -5.008 8.949 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.974 -4.528 9.761 1.00 0.00 C ATOM 0 H TRP A 55 -8.098 -9.772 3.699 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.389 -9.015 6.470 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.703 -6.901 4.919 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.206 -7.682 4.472 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.203 -7.522 6.134 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.641 -6.133 8.258 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.389 -6.200 7.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.109 -4.541 10.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.913 -4.731 9.170 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.755 -3.877 10.594 1.00 0.00 H new ATOM 849 N ASP A 56 -10.413 -10.612 6.362 1.00 0.00 N ATOM 850 CA ASP A 56 -11.440 -11.672 6.363 1.00 0.00 C ATOM 851 C ASP A 56 -11.046 -12.959 5.602 1.00 0.00 C ATOM 852 O ASP A 56 -11.862 -13.864 5.447 1.00 0.00 O ATOM 853 CB ASP A 56 -12.795 -11.078 5.925 1.00 0.00 C ATOM 854 CG ASP A 56 -13.941 -12.099 5.919 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.392 -12.513 7.014 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.393 -12.493 4.821 1.00 0.00 O ATOM 0 H ASP A 56 -10.154 -10.319 7.304 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.536 -12.029 7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.055 -10.257 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.691 -10.655 4.926 1.00 0.00 H new ATOM 861 N GLY A 57 -9.797 -13.103 5.150 1.00 0.00 N ATOM 862 CA GLY A 57 -9.368 -14.287 4.412 1.00 0.00 C ATOM 863 C GLY A 57 -9.515 -14.121 2.900 1.00 0.00 C ATOM 864 O GLY A 57 -9.735 -15.105 2.188 1.00 0.00 O ATOM 0 H GLY A 57 -9.063 -12.407 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.326 -14.502 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.954 -15.146 4.738 1.00 0.00 H new ATOM 868 N LEU A 58 -9.471 -12.884 2.393 1.00 0.00 N ATOM 869 CA LEU A 58 -9.561 -12.590 0.970 1.00 0.00 C ATOM 870 C LEU A 58 -8.649 -11.391 0.694 1.00 0.00 C ATOM 871 O LEU A 58 -8.903 -10.312 1.237 1.00 0.00 O ATOM 872 CB LEU A 58 -11.021 -12.360 0.547 1.00 0.00 C ATOM 873 CG LEU A 58 -11.217 -12.464 -0.979 1.00 0.00 C ATOM 874 CD1 LEU A 58 -12.657 -12.858 -1.299 1.00 0.00 C ATOM 875 CD2 LEU A 58 -10.926 -11.150 -1.708 1.00 0.00 C ATOM 0 H LEU A 58 -9.370 -12.051 2.973 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.224 -13.433 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.659 -13.092 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.343 -11.375 0.885 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.510 -13.219 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.783 -12.928 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.880 -13.823 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.337 -12.104 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.081 -11.286 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.596 -10.373 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.893 -10.854 -1.526 1.00 0.00 H new ATOM 887 N PRO A 59 -7.568 -11.542 -0.092 1.00 0.00 N ATOM 888 CA PRO A 59 -6.667 -10.445 -0.397 1.00 0.00 C ATOM 889 C PRO A 59 -7.382 -9.512 -1.371 1.00 0.00 C ATOM 890 O PRO A 59 -7.734 -9.900 -2.489 1.00 0.00 O ATOM 891 CB PRO A 59 -5.407 -11.088 -0.956 1.00 0.00 C ATOM 892 CG PRO A 59 -5.902 -12.380 -1.604 1.00 0.00 C ATOM 893 CD PRO A 59 -7.147 -12.747 -0.794 1.00 0.00 C ATOM 0 HA PRO A 59 -6.386 -9.834 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.918 -10.440 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.680 -11.290 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.140 -12.232 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.148 -13.166 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.940 -13.109 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.926 -13.547 -0.088 1.00 0.00 H new ATOM 901 N ARG A 60 -7.704 -8.312 -0.898 1.00 0.00 N ATOM 902 CA ARG A 60 -8.396 -7.286 -1.653 1.00 0.00 C ATOM 903 C ARG A 60 -7.396 -6.566 -2.560 1.00 0.00 C ATOM 904 O ARG A 60 -6.181 -6.606 -2.318 1.00 0.00 O ATOM 905 CB ARG A 60 -9.021 -6.288 -0.657 1.00 0.00 C ATOM 906 CG ARG A 60 -9.774 -6.869 0.561 1.00 0.00 C ATOM 907 CD ARG A 60 -10.895 -7.844 0.191 1.00 0.00 C ATOM 908 NE ARG A 60 -11.672 -8.248 1.379 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.997 -8.459 1.433 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.719 -8.471 0.316 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.595 -8.642 2.602 1.00 0.00 N ATOM 0 H ARG A 60 -7.481 -8.022 0.054 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.178 -7.728 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.225 -5.643 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.714 -5.653 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.060 -7.380 1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.197 -6.048 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.558 -7.378 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.469 -8.727 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.150 -8.380 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.266 -8.320 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.725 -8.632 0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.048 -8.623 3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.602 -8.802 2.640 1.00 0.00 H new ATOM 925 N HIS A 61 -7.899 -5.860 -3.572 1.00 0.00 N ATOM 926 CA HIS A 61 -7.098 -5.091 -4.515 1.00 0.00 C ATOM 927 C HIS A 61 -7.780 -3.733 -4.627 1.00 0.00 C ATOM 928 O HIS A 61 -8.964 -3.654 -4.968 1.00 0.00 O ATOM 929 CB HIS A 61 -6.988 -5.809 -5.865 1.00 0.00 C ATOM 930 CG HIS A 61 -6.439 -7.209 -5.743 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.187 -7.568 -5.297 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.152 -8.360 -5.932 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.150 -8.907 -5.212 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.317 -9.436 -5.621 1.00 0.00 N ATOM 0 H HIS A 61 -8.900 -5.808 -3.761 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.069 -4.974 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.973 -5.850 -6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.346 -5.229 -6.528 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.178 -8.426 -6.263 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.303 -9.479 -4.864 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.547 -10.427 -5.690 1.00 0.00 H new ATOM 942 N PHE A 62 -7.052 -2.664 -4.323 1.00 0.00 N ATOM 943 CA PHE A 62 -7.543 -1.303 -4.350 1.00 0.00 C ATOM 944 C PHE A 62 -6.677 -0.495 -5.314 1.00 0.00 C ATOM 945 O PHE A 62 -5.521 -0.198 -5.010 1.00 0.00 O ATOM 946 CB PHE A 62 -7.533 -0.748 -2.917 1.00 0.00 C ATOM 947 CG PHE A 62 -8.322 -1.568 -1.903 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.726 -1.486 -1.877 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.664 -2.393 -0.968 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.466 -2.180 -0.904 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.405 -3.063 0.023 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.805 -2.955 0.062 1.00 0.00 C ATOM 0 H PHE A 62 -6.073 -2.730 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.570 -1.246 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.499 -0.676 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.934 0.265 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.240 -0.884 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.591 -2.511 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.544 -2.117 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.893 -3.665 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.369 -3.464 0.830 1.00 0.00 H new ATOM 962 N ILE A 63 -7.202 -0.223 -6.513 1.00 0.00 N ATOM 963 CA ILE A 63 -6.501 0.562 -7.526 1.00 0.00 C ATOM 964 C ILE A 63 -6.416 1.967 -6.937 1.00 0.00 C ATOM 965 O ILE A 63 -7.452 2.563 -6.614 1.00 0.00 O ATOM 966 CB ILE A 63 -7.247 0.563 -8.881 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.407 -0.863 -9.453 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.494 1.449 -9.896 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.469 -0.948 -10.557 1.00 0.00 C ATOM 0 H ILE A 63 -8.125 -0.542 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.518 0.146 -7.747 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.245 0.966 -8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.449 -1.199 -9.851 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.674 -1.545 -8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.026 1.444 -10.848 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.438 2.469 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.486 1.060 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.536 -1.974 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.435 -0.641 -10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.191 -0.290 -11.380 1.00 0.00 H new ATOM 981 N ILE A 64 -5.201 2.466 -6.739 1.00 0.00 N ATOM 982 CA ILE A 64 -4.980 3.790 -6.181 1.00 0.00 C ATOM 983 C ILE A 64 -5.465 4.809 -7.223 1.00 0.00 C ATOM 984 O ILE A 64 -5.208 4.627 -8.416 1.00 0.00 O ATOM 985 CB ILE A 64 -3.498 3.928 -5.759 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.122 2.808 -4.748 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.282 5.316 -5.140 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.663 2.811 -4.280 1.00 0.00 C ATOM 0 H ILE A 64 -4.343 1.962 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.547 3.973 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.854 3.822 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.767 2.899 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.338 1.842 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.240 5.422 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.528 6.084 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.925 5.429 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.504 1.992 -3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.005 2.685 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.440 3.758 -3.789 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.211 5.840 -6.813 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.717 6.871 -7.719 1.00 0.00 C ATOM 1002 C GLN A 65 -5.826 8.108 -7.594 1.00 0.00 C ATOM 1003 O GLN A 65 -5.361 8.414 -6.497 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.167 7.255 -7.366 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.160 6.088 -7.257 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.333 5.291 -8.550 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.950 5.731 -9.516 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -8.793 4.082 -8.610 1.00 0.00 N ATOM 0 H GLN A 65 -6.481 5.982 -5.840 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.703 6.484 -8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.160 7.791 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.533 7.950 -8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.825 5.413 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.131 6.479 -6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.280 3.713 -7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.891 3.521 -9.456 1.00 0.00 H new ATOM 1017 N SER A 66 -5.635 8.834 -8.692 1.00 0.00 N ATOM 1018 CA SER A 66 -4.845 10.054 -8.809 1.00 0.00 C ATOM 1019 C SER A 66 -5.652 11.028 -9.655 1.00 0.00 C ATOM 1020 O SER A 66 -6.137 10.640 -10.721 1.00 0.00 O ATOM 1021 CB SER A 66 -3.489 9.785 -9.469 1.00 0.00 C ATOM 1022 OG SER A 66 -3.524 8.756 -10.439 1.00 0.00 O ATOM 0 H SER A 66 -6.056 8.567 -9.582 1.00 0.00 H new ATOM 0 HA SER A 66 -4.641 10.461 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.135 10.703 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.765 9.521 -8.698 1.00 0.00 H new ATOM 0 HG SER A 66 -2.630 8.637 -10.822 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.835 12.263 -9.184 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.590 13.266 -9.924 1.00 0.00 C ATOM 1030 C LEU A 67 -6.141 14.672 -9.550 1.00 0.00 C ATOM 1031 O LEU A 67 -5.598 15.394 -10.383 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.118 13.076 -9.778 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.752 12.949 -8.369 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -10.244 13.275 -8.459 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -8.608 11.548 -7.752 1.00 0.00 C ATOM 0 H LEU A 67 -5.468 12.590 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.372 13.126 -10.983 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.598 13.919 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.388 12.180 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.216 13.648 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.696 13.187 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.372 14.293 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.728 12.578 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.075 11.534 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.096 10.815 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.551 11.300 -7.656 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.283 15.047 -8.282 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.942 16.359 -7.721 1.00 0.00 C ATOM 1049 C ASP A 68 -4.436 16.509 -7.485 1.00 0.00 C ATOM 1050 O ASP A 68 -4.031 17.206 -6.557 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.727 16.575 -6.412 1.00 0.00 C ATOM 1052 CG ASP A 68 -8.241 16.641 -6.592 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -8.732 16.938 -7.705 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -8.944 16.352 -5.597 1.00 0.00 O ATOM 0 H ASP A 68 -6.659 14.413 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.224 17.124 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.490 15.765 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.387 17.500 -5.947 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.583 15.860 -8.289 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.113 15.866 -8.166 1.00 0.00 C ATOM 1061 C ASN A 69 -1.666 15.148 -6.873 1.00 0.00 C ATOM 1062 O ASN A 69 -0.504 15.221 -6.464 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.526 17.286 -8.288 1.00 0.00 C ATOM 1064 CG ASN A 69 -0.011 17.270 -8.441 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.534 16.463 -9.189 1.00 0.00 O ATOM 1066 ND2 ASN A 69 0.710 18.168 -7.793 1.00 0.00 N ATOM 0 H ASN A 69 -3.907 15.294 -9.073 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.707 15.302 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.971 17.789 -9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.794 17.866 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.723 18.192 -7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.254 18.837 -7.172 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.616 14.489 -6.207 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.535 13.735 -4.970 1.00 0.00 C ATOM 1075 C LEU A 70 -3.180 12.366 -5.214 1.00 0.00 C ATOM 1076 O LEU A 70 -4.076 12.271 -6.063 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.367 14.470 -3.890 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.673 15.577 -3.074 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.233 16.835 -3.825 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.575 16.017 -1.923 1.00 0.00 C ATOM 0 H LEU A 70 -3.569 14.474 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.499 13.632 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.236 14.910 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.740 13.723 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.750 15.097 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.760 17.528 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.522 16.563 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.103 17.312 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.078 16.800 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.514 16.400 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.778 15.165 -1.274 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.772 11.329 -4.468 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.344 9.986 -4.605 1.00 0.00 C ATOM 1094 C TYR A 71 -4.266 9.710 -3.423 1.00 0.00 C ATOM 1095 O TYR A 71 -3.930 10.085 -2.297 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.298 8.876 -4.626 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.199 9.003 -5.642 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.402 8.456 -6.914 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.041 9.563 -5.290 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.355 8.439 -7.846 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.106 9.524 -6.205 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.914 8.943 -7.480 1.00 0.00 C ATOM 1103 OH TYR A 71 1.957 8.865 -8.348 1.00 0.00 O ATOM 0 H TYR A 71 -2.042 11.398 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.870 9.978 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.842 8.819 -3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.810 7.929 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.366 8.047 -7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.174 10.021 -4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.517 8.043 -8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.067 9.936 -5.936 1.00 0.00 H new ATOM 0 HH TYR A 71 2.755 9.259 -7.937 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.398 9.033 -3.639 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.360 8.707 -2.580 1.00 0.00 C ATOM 1115 C ARG A 72 -7.196 7.478 -2.945 1.00 0.00 C ATOM 1116 O ARG A 72 -6.981 6.880 -4.003 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.232 9.942 -2.297 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.229 10.269 -3.412 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.959 11.564 -3.062 1.00 0.00 C ATOM 1120 NE ARG A 72 -10.265 11.598 -3.728 1.00 0.00 N ATOM 1121 CZ ARG A 72 -11.454 11.864 -3.179 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -11.578 12.137 -1.886 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -12.532 11.847 -3.947 1.00 0.00 N ATOM 0 H ARG A 72 -5.675 8.693 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.823 8.446 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.780 9.782 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.583 10.804 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.708 10.376 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.943 9.454 -3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.090 11.637 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.362 12.423 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.266 11.395 -4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.754 12.147 -1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.498 12.337 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.447 11.633 -4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.448 12.048 -3.545 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.147 7.109 -2.077 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.033 5.964 -2.283 1.00 0.00 C ATOM 1139 C LEU A 73 -10.469 6.196 -1.793 1.00 0.00 C ATOM 1140 O LEU A 73 -11.390 5.642 -2.392 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.456 4.720 -1.568 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.421 3.425 -2.403 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -9.743 3.064 -3.097 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.311 3.468 -3.448 1.00 0.00 C ATOM 0 H LEU A 73 -8.322 7.605 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.084 5.812 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.441 4.949 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.044 4.535 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.229 2.643 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.618 2.139 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.523 2.931 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.027 3.866 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.313 2.540 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.477 4.309 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.348 3.586 -2.951 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.693 6.968 -0.722 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.046 7.205 -0.184 1.00 0.00 C ATOM 1158 C GLU A 74 -12.131 8.505 0.635 1.00 0.00 C ATOM 1159 O GLU A 74 -13.181 9.155 0.685 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.399 5.987 0.699 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.763 5.993 1.405 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.942 5.633 0.502 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.185 6.320 -0.516 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.690 4.682 0.841 1.00 0.00 O ATOM 0 H GLU A 74 -9.953 7.443 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.751 7.321 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.347 5.094 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.626 5.889 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.731 5.290 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.935 6.982 1.829 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.040 8.893 1.293 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.920 10.087 2.113 1.00 0.00 C ATOM 1173 C GLY A 75 -9.915 11.027 1.469 1.00 0.00 C ATOM 1174 O GLY A 75 -9.958 11.254 0.258 1.00 0.00 O ATOM 0 H GLY A 75 -10.175 8.353 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.888 10.578 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.597 9.822 3.120 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.040 11.607 2.284 1.00 0.00 N ATOM 1179 CA GLU A 76 -8.006 12.518 1.817 1.00 0.00 C ATOM 1180 C GLU A 76 -6.926 11.774 1.031 1.00 0.00 C ATOM 1181 O GLU A 76 -6.846 10.539 1.046 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.355 13.209 3.023 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.148 14.445 3.435 1.00 0.00 C ATOM 1184 CD GLU A 76 -7.414 15.186 4.544 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.374 15.829 4.265 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -7.894 15.147 5.698 1.00 0.00 O ATOM 0 H GLU A 76 -9.030 11.456 3.293 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.472 13.253 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.299 12.513 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.332 13.494 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.286 15.102 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.141 14.153 3.776 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.092 12.562 0.354 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.967 12.130 -0.441 1.00 0.00 C ATOM 1195 C GLY A 77 -3.732 12.898 0.003 1.00 0.00 C ATOM 1196 O GLY A 77 -3.812 13.766 0.878 1.00 0.00 O ATOM 0 H GLY A 77 -6.199 13.576 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.809 11.058 -0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.162 12.307 -1.499 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.588 12.576 -0.594 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.305 13.203 -0.295 1.00 0.00 C ATOM 1202 C PHE A 78 -0.500 13.358 -1.586 1.00 0.00 C ATOM 1203 O PHE A 78 -0.809 12.698 -2.576 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.528 12.321 0.691 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.918 12.478 2.144 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.067 11.833 2.626 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.133 13.252 3.020 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.445 11.974 3.968 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.483 13.356 4.376 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.651 12.732 4.845 1.00 0.00 C ATOM 0 H PHE A 78 -2.526 11.857 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.472 14.185 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.665 11.278 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.535 12.542 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.662 11.226 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.740 13.767 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.346 11.500 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.144 13.914 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.939 12.835 5.881 1.00 0.00 H new ATOM 1220 N PRO A 79 0.567 14.173 -1.607 1.00 0.00 N ATOM 1221 CA PRO A 79 1.376 14.352 -2.806 1.00 0.00 C ATOM 1222 C PRO A 79 2.136 13.081 -3.226 1.00 0.00 C ATOM 1223 O PRO A 79 2.773 13.094 -4.277 1.00 0.00 O ATOM 1224 CB PRO A 79 2.324 15.516 -2.485 1.00 0.00 C ATOM 1225 CG PRO A 79 2.429 15.494 -0.962 1.00 0.00 C ATOM 1226 CD PRO A 79 1.046 15.031 -0.531 1.00 0.00 C ATOM 0 HA PRO A 79 0.744 14.568 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.298 15.379 -2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.927 16.465 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.208 14.812 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.669 16.478 -0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.091 14.488 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.378 15.879 -0.379 1.00 0.00 H new ATOM 1234 N SER A 80 2.139 11.993 -2.442 1.00 0.00 N ATOM 1235 CA SER A 80 2.850 10.776 -2.826 1.00 0.00 C ATOM 1236 C SER A 80 2.211 9.540 -2.200 1.00 0.00 C ATOM 1237 O SER A 80 1.515 9.636 -1.184 1.00 0.00 O ATOM 1238 CB SER A 80 4.322 10.892 -2.422 1.00 0.00 C ATOM 1239 OG SER A 80 5.127 10.148 -3.305 1.00 0.00 O ATOM 0 H SER A 80 1.658 11.936 -1.544 1.00 0.00 H new ATOM 0 HA SER A 80 2.785 10.662 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.628 11.938 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.457 10.530 -1.403 1.00 0.00 H new ATOM 0 HG SER A 80 6.067 10.230 -3.039 1.00 0.00 H new ATOM 1245 N ILE A 81 2.450 8.374 -2.806 1.00 0.00 N ATOM 1246 CA ILE A 81 1.920 7.100 -2.347 1.00 0.00 C ATOM 1247 C ILE A 81 2.355 6.817 -0.899 1.00 0.00 C ATOM 1248 O ILE A 81 1.468 6.539 -0.092 1.00 0.00 O ATOM 1249 CB ILE A 81 2.308 5.937 -3.300 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.924 6.167 -4.780 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.719 4.599 -2.803 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.432 6.054 -5.088 1.00 0.00 C ATOM 0 H ILE A 81 3.028 8.294 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 81 0.832 7.169 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 81 3.397 5.898 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.267 7.158 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.462 5.445 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.004 3.800 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.104 4.379 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.632 4.672 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.265 6.232 -6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.081 5.055 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.117 6.794 -4.506 1.00 0.00 H new ATOM 1264 N PRO A 82 3.653 6.897 -0.523 1.00 0.00 N ATOM 1265 CA PRO A 82 4.060 6.595 0.845 1.00 0.00 C ATOM 1266 C PRO A 82 3.427 7.548 1.852 1.00 0.00 C ATOM 1267 O PRO A 82 2.979 7.093 2.895 1.00 0.00 O ATOM 1268 CB PRO A 82 5.590 6.595 0.862 1.00 0.00 C ATOM 1269 CG PRO A 82 5.984 7.423 -0.355 1.00 0.00 C ATOM 1270 CD PRO A 82 4.825 7.228 -1.329 1.00 0.00 C ATOM 0 HA PRO A 82 3.700 5.615 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.977 7.033 1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.988 5.582 0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.115 8.474 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.926 7.080 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.652 8.133 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.045 6.430 -2.038 1.00 0.00 H new ATOM 1278 N LEU A 83 3.309 8.838 1.522 1.00 0.00 N ATOM 1279 CA LEU A 83 2.705 9.841 2.399 1.00 0.00 C ATOM 1280 C LEU A 83 1.276 9.418 2.794 1.00 0.00 C ATOM 1281 O LEU A 83 0.886 9.578 3.947 1.00 0.00 O ATOM 1282 CB LEU A 83 2.684 11.213 1.690 1.00 0.00 C ATOM 1283 CG LEU A 83 3.892 12.159 1.830 1.00 0.00 C ATOM 1284 CD1 LEU A 83 3.948 12.790 3.223 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.232 11.500 1.497 1.00 0.00 C ATOM 0 H LEU A 83 3.633 9.216 0.632 1.00 0.00 H new ATOM 0 HA LEU A 83 3.302 9.922 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.536 11.028 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.805 11.751 2.046 1.00 0.00 H new ATOM 0 HG LEU A 83 3.733 12.940 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.812 13.452 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.038 13.363 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.034 12.005 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.035 12.227 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.400 10.658 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.217 11.145 0.467 1.00 0.00 H new ATOM 1297 N LEU A 84 0.488 8.903 1.838 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.888 8.456 2.072 1.00 0.00 C ATOM 1299 C LEU A 84 -0.897 7.165 2.883 1.00 0.00 C ATOM 1300 O LEU A 84 -1.583 7.101 3.894 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.629 8.325 0.726 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.084 7.808 0.693 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.214 6.282 0.775 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.992 8.521 1.699 1.00 0.00 C ATOM 0 H LEU A 84 0.794 8.785 0.872 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.424 9.198 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.624 9.308 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.036 7.665 0.092 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.443 8.072 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.268 6.004 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.695 5.827 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.772 5.929 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.001 8.115 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.608 8.368 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.014 9.588 1.477 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.167 6.133 2.455 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.100 4.852 3.158 1.00 0.00 C ATOM 1318 C ILE A 85 0.293 5.084 4.621 1.00 0.00 C ATOM 1319 O ILE A 85 -0.355 4.542 5.515 1.00 0.00 O ATOM 1320 CB ILE A 85 0.878 3.920 2.403 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.373 3.546 0.987 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.238 2.649 3.185 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -1.003 2.876 0.927 1.00 0.00 C ATOM 0 H ILE A 85 0.397 6.164 1.606 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.073 4.361 3.174 1.00 0.00 H new ATOM 0 HB ILE A 85 1.789 4.509 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.342 4.452 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.102 2.879 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.927 2.043 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.711 2.924 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.332 2.077 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.257 2.658 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.981 1.948 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.752 3.545 1.351 1.00 0.00 H new ATOM 1335 N ASP A 86 1.323 5.901 4.856 1.00 0.00 N ATOM 1336 CA ASP A 86 1.816 6.251 6.183 1.00 0.00 C ATOM 1337 C ASP A 86 0.681 6.886 6.975 1.00 0.00 C ATOM 1338 O ASP A 86 0.453 6.520 8.122 1.00 0.00 O ATOM 1339 CB ASP A 86 2.997 7.212 6.052 1.00 0.00 C ATOM 1340 CG ASP A 86 3.599 7.602 7.400 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.151 8.610 7.994 1.00 0.00 O ATOM 1342 OD2 ASP A 86 4.600 6.956 7.794 1.00 0.00 O ATOM 0 H ASP A 86 1.849 6.348 4.105 1.00 0.00 H new ATOM 0 HA ASP A 86 2.159 5.360 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.768 6.750 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.670 8.112 5.532 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.089 7.785 6.353 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.208 8.428 7.013 1.00 0.00 C ATOM 1349 C HIS A 87 -2.250 7.400 7.457 1.00 0.00 C ATOM 1350 O HIS A 87 -2.709 7.495 8.589 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.841 9.496 6.122 1.00 0.00 C ATOM 1352 CG HIS A 87 -2.954 10.224 6.828 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -2.807 11.234 7.750 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.291 9.978 6.682 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.039 11.616 8.126 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -4.972 10.856 7.528 1.00 0.00 N ATOM 0 H HIS A 87 0.052 8.079 5.386 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.823 8.924 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.078 10.210 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.228 9.031 5.216 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -1.925 11.621 8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.738 9.240 6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.250 12.422 8.813 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.641 6.422 6.628 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.642 5.423 7.047 1.00 0.00 C ATOM 1366 C LEU A 88 -3.077 4.591 8.187 1.00 0.00 C ATOM 1367 O LEU A 88 -3.794 4.198 9.101 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.082 4.486 5.912 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.169 5.095 5.012 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.624 6.280 4.234 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.642 4.046 3.998 1.00 0.00 C ATOM 0 H LEU A 88 -2.288 6.299 5.679 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.525 5.978 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.215 4.232 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.454 3.556 6.341 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.991 5.420 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.411 6.695 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.276 7.043 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.793 5.954 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.413 4.478 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.799 3.727 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.050 3.186 4.528 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.788 4.293 8.146 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.116 3.536 9.188 1.00 0.00 C ATOM 1385 C LEU A 89 -1.082 4.356 10.490 1.00 0.00 C ATOM 1386 O LEU A 89 -1.069 3.792 11.586 1.00 0.00 O ATOM 1387 CB LEU A 89 0.304 3.252 8.691 1.00 0.00 C ATOM 1388 CG LEU A 89 0.487 1.933 7.924 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.934 1.879 7.425 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.199 0.689 8.775 1.00 0.00 C ATOM 0 H LEU A 89 -1.174 4.573 7.381 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.639 2.603 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.615 4.073 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.976 3.249 9.549 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.231 1.919 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.095 0.952 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.124 2.728 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.614 1.919 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.347 -0.207 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.876 0.668 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.831 0.721 9.129 1.00 0.00 H new ATOM 1402 N SER A 90 -1.099 5.683 10.385 1.00 0.00 N ATOM 1403 CA SER A 90 -1.061 6.660 11.459 1.00 0.00 C ATOM 1404 C SER A 90 -2.456 6.905 12.065 1.00 0.00 C ATOM 1405 O SER A 90 -2.641 6.704 13.266 1.00 0.00 O ATOM 1406 CB SER A 90 -0.432 7.933 10.854 1.00 0.00 C ATOM 1407 OG SER A 90 0.174 8.802 11.778 1.00 0.00 O ATOM 0 H SER A 90 -1.143 6.134 9.471 1.00 0.00 H new ATOM 0 HA SER A 90 -0.464 6.306 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.314 7.635 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.207 8.482 10.318 1.00 0.00 H new ATOM 0 HG SER A 90 0.545 9.576 11.305 1.00 0.00 H new ATOM 1413 N THR A 91 -3.453 7.289 11.261 1.00 0.00 N ATOM 1414 CA THR A 91 -4.820 7.594 11.708 1.00 0.00 C ATOM 1415 C THR A 91 -5.758 6.387 11.752 1.00 0.00 C ATOM 1416 O THR A 91 -6.841 6.451 12.338 1.00 0.00 O ATOM 1417 CB THR A 91 -5.386 8.746 10.857 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.358 8.465 9.467 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.548 10.001 11.097 1.00 0.00 C ATOM 0 H THR A 91 -3.330 7.400 10.254 1.00 0.00 H new ATOM 0 HA THR A 91 -4.756 7.907 12.750 1.00 0.00 H new ATOM 0 HB THR A 91 -6.425 8.885 11.157 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.217 9.296 8.968 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.942 10.822 10.498 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.589 10.270 12.153 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.514 9.808 10.812 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.337 5.264 11.176 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.068 3.997 11.122 1.00 0.00 C ATOM 1429 C GLN A 92 -7.449 4.102 10.465 1.00 0.00 C ATOM 1430 O GLN A 92 -8.380 3.392 10.845 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.028 3.319 12.506 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.597 2.909 12.904 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.139 1.662 12.153 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.304 0.545 12.639 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.605 1.802 10.952 1.00 0.00 N ATOM 0 H GLN A 92 -4.431 5.208 10.710 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.557 3.324 10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.432 3.999 13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.669 2.437 12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.912 3.731 12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.557 2.723 13.977 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.473 2.734 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.325 0.978 10.419 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.604 5.011 9.499 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.863 5.181 8.779 1.00 0.00 C ATOM 1446 C GLN A 93 -9.071 3.971 7.857 1.00 0.00 C ATOM 1447 O GLN A 93 -8.088 3.464 7.300 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.817 6.439 7.904 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.806 7.732 8.720 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.693 8.929 7.790 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -9.681 9.527 7.372 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.474 9.275 7.424 1.00 0.00 N ATOM 0 H GLN A 93 -6.864 5.645 9.197 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.672 5.271 9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.928 6.405 7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.679 6.443 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.718 7.806 9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.970 7.724 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.669 8.763 7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.337 10.054 6.780 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.318 3.522 7.638 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.580 2.397 6.763 1.00 0.00 C ATOM 1463 C PRO A 94 -10.353 2.810 5.307 1.00 0.00 C ATOM 1464 O PRO A 94 -10.601 3.950 4.902 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.021 1.974 7.041 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.679 3.262 7.530 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.550 4.019 8.228 1.00 0.00 C ATOM 0 HA PRO A 94 -9.909 1.557 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.507 1.590 6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.071 1.187 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.092 3.838 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.501 3.054 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.649 5.094 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.568 3.843 9.304 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.929 1.843 4.499 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.628 1.990 3.083 1.00 0.00 C ATOM 1477 C LEU A 95 -10.847 2.386 2.255 1.00 0.00 C ATOM 1478 O LEU A 95 -10.707 3.205 1.347 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.005 0.679 2.568 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.472 0.738 2.525 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -6.927 -0.684 2.369 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.973 1.609 1.362 1.00 0.00 C ATOM 0 H LEU A 95 -9.780 0.891 4.832 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.917 2.809 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.316 -0.145 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.386 0.466 1.569 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.117 1.185 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.838 -0.655 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.249 -1.292 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.305 -1.119 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.883 1.628 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.328 1.194 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.353 2.624 1.478 1.00 0.00 H new ATOM 1494 N THR A 96 -12.010 1.786 2.510 1.00 0.00 N ATOM 1495 CA THR A 96 -13.269 2.060 1.814 1.00 0.00 C ATOM 1496 C THR A 96 -14.422 1.640 2.723 1.00 0.00 C ATOM 1497 O THR A 96 -14.368 0.552 3.300 1.00 0.00 O ATOM 1498 CB THR A 96 -13.385 1.287 0.475 1.00 0.00 C ATOM 1499 OG1 THR A 96 -12.495 0.181 0.364 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.191 2.200 -0.734 1.00 0.00 C ATOM 0 H THR A 96 -12.105 1.071 3.231 1.00 0.00 H new ATOM 0 HA THR A 96 -13.302 3.125 1.585 1.00 0.00 H new ATOM 0 HB THR A 96 -14.402 0.894 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.625 -0.258 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.281 1.615 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.952 2.981 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.202 2.656 -0.690 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.477 2.453 2.835 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.655 2.153 3.658 1.00 0.00 C ATOM 1510 C LYS A 97 -17.240 0.784 3.300 1.00 0.00 C ATOM 1511 O LYS A 97 -17.612 0.017 4.186 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.673 3.295 3.477 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.862 3.238 4.451 1.00 0.00 C ATOM 1514 CD LYS A 97 -20.029 2.359 3.977 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.974 3.058 2.991 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.875 4.028 3.650 1.00 0.00 N ATOM 0 H LYS A 97 -15.539 3.349 2.351 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.378 2.093 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.159 4.248 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.053 3.270 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.510 2.866 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.230 4.251 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.627 1.462 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.602 2.034 4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.384 3.574 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.572 2.308 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.490 4.470 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.460 3.535 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.309 4.762 4.122 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.285 0.447 2.010 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.829 -0.805 1.489 1.00 0.00 C ATOM 1532 C LYS A 98 -17.115 -2.071 1.989 1.00 0.00 C ATOM 1533 O LYS A 98 -17.637 -3.162 1.759 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.846 -0.691 -0.052 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.500 -1.843 -0.832 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.973 -2.085 -0.471 1.00 0.00 C ATOM 1537 CE LYS A 98 -20.425 -3.400 -1.111 1.00 0.00 C ATOM 1538 NZ LYS A 98 -21.791 -3.789 -0.707 1.00 0.00 N ATOM 0 H LYS A 98 -16.931 1.060 1.276 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.840 -0.936 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.361 0.232 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.816 -0.592 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.428 -1.633 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.937 -2.758 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.094 -2.130 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.590 -1.260 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.385 -3.304 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.729 -4.192 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.047 -4.685 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -21.827 -3.908 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.462 -3.048 -0.994 1.00 0.00 H new ATOM 1552 N SER A 99 -15.962 -1.968 2.659 1.00 0.00 N ATOM 1553 CA SER A 99 -15.220 -3.121 3.161 1.00 0.00 C ATOM 1554 C SER A 99 -14.752 -2.897 4.606 1.00 0.00 C ATOM 1555 O SER A 99 -14.812 -3.825 5.416 1.00 0.00 O ATOM 1556 CB SER A 99 -14.053 -3.386 2.197 1.00 0.00 C ATOM 1557 OG SER A 99 -13.881 -4.750 1.855 1.00 0.00 O ATOM 0 H SER A 99 -15.517 -1.074 2.868 1.00 0.00 H new ATOM 0 HA SER A 99 -15.862 -4.001 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.213 -2.812 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.132 -3.017 2.649 1.00 0.00 H new ATOM 0 HG SER A 99 -13.124 -4.840 1.240 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.307 -1.690 4.966 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.846 -1.371 6.312 1.00 0.00 C ATOM 1565 C GLY A 100 -12.463 -1.938 6.628 1.00 0.00 C ATOM 1566 O GLY A 100 -12.142 -2.124 7.800 1.00 0.00 O ATOM 0 H GLY A 100 -14.258 -0.901 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.823 -0.288 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.564 -1.758 7.035 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.671 -2.278 5.612 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.339 -2.834 5.791 1.00 0.00 C ATOM 1572 C VAL A 101 -9.395 -1.729 6.273 1.00 0.00 C ATOM 1573 O VAL A 101 -9.532 -0.585 5.839 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.892 -3.422 4.442 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.521 -4.071 4.524 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.869 -4.488 3.931 1.00 0.00 C ATOM 0 H VAL A 101 -11.942 -2.173 4.634 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.330 -3.624 6.542 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.863 -2.574 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.249 -4.471 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.784 -3.328 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.545 -4.880 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.516 -4.877 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.931 -5.301 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.856 -4.044 3.799 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.415 -2.058 7.115 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.434 -1.115 7.651 1.00 0.00 C ATOM 1588 C VAL A 102 -6.039 -1.720 7.420 1.00 0.00 C ATOM 1589 O VAL A 102 -5.908 -2.926 7.203 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.741 -0.830 9.144 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.898 0.332 9.698 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.223 -0.477 9.394 1.00 0.00 C ATOM 0 H VAL A 102 -8.278 -3.011 7.451 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.477 -0.150 7.147 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.492 -1.759 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.147 0.495 10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.839 0.088 9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.109 1.238 9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.378 -0.288 10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.486 0.415 8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.853 -1.308 9.078 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.997 -0.885 7.382 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.611 -1.309 7.189 1.00 0.00 C ATOM 1604 C LEU A 103 -3.014 -1.421 8.583 1.00 0.00 C ATOM 1605 O LEU A 103 -3.102 -0.455 9.339 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.782 -0.275 6.399 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.089 -0.174 4.895 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.459 0.454 4.612 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.034 0.691 4.198 1.00 0.00 C ATOM 0 H LEU A 103 -5.097 0.125 7.487 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.592 -2.241 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.937 0.706 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.726 -0.517 6.519 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.083 -1.196 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.623 0.500 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.239 -0.152 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.490 1.461 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.261 0.755 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.039 1.691 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.050 0.243 4.332 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.398 -2.554 8.916 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.782 -2.772 10.222 1.00 0.00 C ATOM 1623 C HIS A 104 -0.262 -2.867 10.109 1.00 0.00 C ATOM 1624 O HIS A 104 0.433 -2.309 10.966 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.383 -3.999 10.911 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.800 -3.771 11.378 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.195 -3.623 12.686 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.910 -3.603 10.592 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.514 -3.383 12.688 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.997 -3.352 11.434 1.00 0.00 N ATOM 0 H HIS A 104 -2.312 -3.350 8.284 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.001 -1.907 10.849 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.364 -4.843 10.222 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.763 -4.271 11.765 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.593 -3.685 13.507 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.940 -3.655 9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.108 -3.235 13.577 1.00 0.00 H new ATOM 1638 N ARG A 105 0.275 -3.538 9.082 1.00 0.00 N ATOM 1639 CA ARG A 105 1.719 -3.664 8.879 1.00 0.00 C ATOM 1640 C ARG A 105 1.997 -4.019 7.422 1.00 0.00 C ATOM 1641 O ARG A 105 1.199 -4.682 6.759 1.00 0.00 O ATOM 1642 CB ARG A 105 2.324 -4.734 9.816 1.00 0.00 C ATOM 1643 CG ARG A 105 3.866 -4.714 9.800 1.00 0.00 C ATOM 1644 CD ARG A 105 4.480 -5.772 10.715 1.00 0.00 C ATOM 1645 NE ARG A 105 5.914 -5.953 10.428 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.724 -6.869 10.970 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.291 -7.700 11.913 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.979 -6.978 10.559 1.00 0.00 N ATOM 0 H ARG A 105 -0.283 -4.008 8.369 1.00 0.00 H new ATOM 0 HA ARG A 105 2.189 -2.710 9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.970 -4.566 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.972 -5.720 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.217 -4.874 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.215 -3.728 10.106 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.349 -5.478 11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.957 -6.719 10.583 1.00 0.00 H new ATOM 0 HE ARG A 105 6.330 -5.316 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.325 -7.646 12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.925 -8.392 12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.331 -6.362 9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.593 -7.678 10.975 1.00 0.00 H new ATOM 1662 N ALA A 106 3.117 -3.522 6.915 1.00 0.00 N ATOM 1663 CA ALA A 106 3.590 -3.759 5.565 1.00 0.00 C ATOM 1664 C ALA A 106 4.250 -5.125 5.495 1.00 0.00 C ATOM 1665 O ALA A 106 4.632 -5.695 6.521 1.00 0.00 O ATOM 1666 CB ALA A 106 4.619 -2.669 5.260 1.00 0.00 C ATOM 0 H ALA A 106 3.741 -2.922 7.455 1.00 0.00 H new ATOM 0 HA ALA A 106 2.771 -3.734 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.006 -2.806 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.146 -1.690 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.440 -2.733 5.974 1.00 0.00 H new ATOM 1672 N VAL A 107 4.413 -5.658 4.288 1.00 0.00 N ATOM 1673 CA VAL A 107 5.055 -6.944 4.105 1.00 0.00 C ATOM 1674 C VAL A 107 6.316 -6.634 3.283 1.00 0.00 C ATOM 1675 O VAL A 107 6.197 -5.934 2.278 1.00 0.00 O ATOM 1676 CB VAL A 107 4.049 -7.963 3.543 1.00 0.00 C ATOM 1677 CG1 VAL A 107 2.872 -8.205 4.501 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.465 -7.645 2.170 1.00 0.00 C ATOM 0 H VAL A 107 4.106 -5.213 3.423 1.00 0.00 H new ATOM 0 HA VAL A 107 5.381 -7.446 5.016 1.00 0.00 H new ATOM 0 HB VAL A 107 4.667 -8.854 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.188 -8.931 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.248 -8.588 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.344 -7.267 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.770 -8.433 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.937 -6.692 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.270 -7.582 1.438 1.00 0.00 H new ATOM 1688 N PRO A 108 7.525 -7.013 3.738 1.00 0.00 N ATOM 1689 CA PRO A 108 8.751 -6.732 3.009 1.00 0.00 C ATOM 1690 C PRO A 108 8.930 -7.683 1.829 1.00 0.00 C ATOM 1691 O PRO A 108 8.399 -8.798 1.822 1.00 0.00 O ATOM 1692 CB PRO A 108 9.873 -6.931 4.034 1.00 0.00 C ATOM 1693 CG PRO A 108 9.331 -8.021 4.952 1.00 0.00 C ATOM 1694 CD PRO A 108 7.815 -7.823 4.913 1.00 0.00 C ATOM 0 HA PRO A 108 8.745 -5.727 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.804 -7.236 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.083 -6.013 4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.612 -9.014 4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.720 -7.919 5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.301 -8.783 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.467 -7.328 5.819 1.00 0.00 H new ATOM 1702 N SER A 109 9.751 -7.265 0.868 1.00 0.00 N ATOM 1703 CA SER A 109 10.080 -8.029 -0.325 1.00 0.00 C ATOM 1704 C SER A 109 10.693 -9.375 0.047 1.00 0.00 C ATOM 1705 O SER A 109 10.310 -10.406 -0.505 1.00 0.00 O ATOM 1706 CB SER A 109 11.000 -7.204 -1.222 1.00 0.00 C ATOM 1707 OG SER A 109 11.927 -6.419 -0.482 1.00 0.00 O ATOM 0 H SER A 109 10.217 -6.358 0.902 1.00 0.00 H new ATOM 0 HA SER A 109 9.169 -8.243 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.546 -7.872 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.396 -6.550 -1.851 1.00 0.00 H new ATOM 0 HG SER A 109 12.493 -5.912 -1.101 1.00 0.00 H new ATOM 1713 N GLY A 110 11.589 -9.351 1.024 1.00 0.00 N ATOM 1714 CA GLY A 110 12.313 -10.478 1.560 1.00 0.00 C ATOM 1715 C GLY A 110 13.560 -9.927 2.248 1.00 0.00 C ATOM 1716 O GLY A 110 13.837 -8.728 2.157 1.00 0.00 O ATOM 0 H GLY A 110 11.841 -8.479 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.695 -11.031 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.587 -11.173 0.766 1.00 0.00 H new ATOM 1720 N PRO A 111 14.356 -10.778 2.908 1.00 0.00 N ATOM 1721 CA PRO A 111 15.574 -10.360 3.596 1.00 0.00 C ATOM 1722 C PRO A 111 16.693 -9.891 2.646 1.00 0.00 C ATOM 1723 O PRO A 111 17.768 -9.509 3.113 1.00 0.00 O ATOM 1724 CB PRO A 111 15.983 -11.587 4.416 1.00 0.00 C ATOM 1725 CG PRO A 111 15.455 -12.757 3.595 1.00 0.00 C ATOM 1726 CD PRO A 111 14.130 -12.203 3.083 1.00 0.00 C ATOM 0 HA PRO A 111 15.396 -9.481 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 111 17.064 -11.642 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 111 15.545 -11.567 5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.129 -13.023 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 111 15.317 -13.653 4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 111 13.843 -12.675 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.324 -12.390 3.793 1.00 0.00 H new ATOM 1734 N SER A 112 16.481 -9.928 1.330 1.00 0.00 N ATOM 1735 CA SER A 112 17.421 -9.538 0.288 1.00 0.00 C ATOM 1736 C SER A 112 17.866 -8.073 0.392 1.00 0.00 C ATOM 1737 O SER A 112 19.046 -7.789 0.200 1.00 0.00 O ATOM 1738 CB SER A 112 16.763 -9.818 -1.071 1.00 0.00 C ATOM 1739 OG SER A 112 16.099 -11.073 -1.047 1.00 0.00 O ATOM 0 H SER A 112 15.594 -10.251 0.944 1.00 0.00 H new ATOM 0 HA SER A 112 18.332 -10.124 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.052 -9.027 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.519 -9.813 -1.857 1.00 0.00 H new ATOM 0 HG SER A 112 15.682 -11.239 -1.918 1.00 0.00 H new ATOM 1745 N SER A 113 16.944 -7.147 0.669 1.00 0.00 N ATOM 1746 CA SER A 113 17.195 -5.716 0.811 1.00 0.00 C ATOM 1747 C SER A 113 16.105 -5.125 1.702 1.00 0.00 C ATOM 1748 O SER A 113 15.043 -5.735 1.877 1.00 0.00 O ATOM 1749 CB SER A 113 17.165 -5.028 -0.566 1.00 0.00 C ATOM 1750 OG SER A 113 18.459 -4.974 -1.138 1.00 0.00 O ATOM 0 H SER A 113 15.962 -7.387 0.806 1.00 0.00 H new ATOM 0 HA SER A 113 18.178 -5.557 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.492 -5.569 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.767 -4.018 -0.463 1.00 0.00 H new ATOM 0 HG SER A 113 18.959 -5.780 -0.892 1.00 0.00 H new ATOM 1756 N GLY A 114 16.347 -3.928 2.231 1.00 0.00 N ATOM 1757 CA GLY A 114 15.430 -3.211 3.093 1.00 0.00 C ATOM 1758 C GLY A 114 16.238 -2.445 4.114 1.00 0.00 C ATOM 1759 O GLY A 114 15.954 -2.591 5.322 1.00 0.00 O ATOM 0 H GLY A 114 17.215 -3.420 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.814 -2.529 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 114 14.753 -3.906 3.589 1.00 0.00 H new TER 1763 GLY A 114