USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot 30:sc= 1.04 USER MOD Set 1.2: A 61 THR OG1 : rot 88:sc= 0.739 USER MOD Set 2.1: A 26 SER OG : rot 90:sc= -0.518 USER MOD Set 2.2: A 29 LYS NZ :NH3+ -168:sc= 0.0168 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -4.32! C(o=-4.3!,f=-2.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -150:sc= -1.18 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.305! USER MOD Single : A 41 GLN : amide:sc=-0.00441 X(o=-0.0044,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0565 K(o=-0.056,f=-1) USER MOD Single : A 48 THR OG1 : rot 110:sc= -1.1 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -144:sc=-0.00437 (180deg=-0.394) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -9.08! C(o=-9.1!,f=-12!) USER MOD Single : A 70 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-5.7!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.148 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0.0907 (180deg=0.0411) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.586 -19.754 -0.600 1.00 0.00 N ATOM 67 CA ASP A 8 1.708 -19.237 0.752 1.00 0.00 C ATOM 68 C ASP A 8 1.506 -17.720 0.733 1.00 0.00 C ATOM 69 O ASP A 8 0.541 -17.212 1.301 1.00 0.00 O ATOM 70 CB ASP A 8 3.096 -19.522 1.327 1.00 0.00 C ATOM 71 CG ASP A 8 3.102 -20.122 2.735 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.206 -19.741 3.518 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.003 -20.949 2.995 1.00 0.00 O ATOM 0 HA ASP A 8 0.955 -19.726 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.618 -20.204 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.664 -18.592 1.342 1.00 0.00 H new ATOM 78 N GLN A 9 2.433 -17.040 0.074 1.00 0.00 N ATOM 79 CA GLN A 9 2.369 -15.592 -0.027 1.00 0.00 C ATOM 80 C GLN A 9 1.154 -15.171 -0.855 1.00 0.00 C ATOM 81 O GLN A 9 0.593 -14.097 -0.640 1.00 0.00 O ATOM 82 CB GLN A 9 3.660 -15.026 -0.620 1.00 0.00 C ATOM 83 CG GLN A 9 3.869 -15.523 -2.052 1.00 0.00 C ATOM 84 CD GLN A 9 5.137 -14.921 -2.662 1.00 0.00 C ATOM 85 OE1 GLN A 9 6.233 -15.435 -2.512 1.00 0.00 O ATOM 86 NE2 GLN A 9 4.927 -13.806 -3.355 1.00 0.00 N ATOM 0 H GLN A 9 3.233 -17.465 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 9 2.259 -15.182 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.622 -13.937 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.508 -15.320 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.940 -16.611 -2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.006 -15.257 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.983 -13.429 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.710 -13.327 -3.801 1.00 0.00 H new ATOM 95 N LYS A 10 0.782 -16.038 -1.785 1.00 0.00 N ATOM 96 CA LYS A 10 -0.357 -15.769 -2.647 1.00 0.00 C ATOM 97 C LYS A 10 -1.579 -15.448 -1.785 1.00 0.00 C ATOM 98 O LYS A 10 -2.397 -14.606 -2.150 1.00 0.00 O ATOM 99 CB LYS A 10 -0.578 -16.929 -3.620 1.00 0.00 C ATOM 100 CG LYS A 10 -0.592 -16.434 -5.068 1.00 0.00 C ATOM 101 CD LYS A 10 -1.929 -15.772 -5.408 1.00 0.00 C ATOM 102 CE LYS A 10 -1.877 -15.106 -6.784 1.00 0.00 C ATOM 103 NZ LYS A 10 -2.512 -15.971 -7.803 1.00 0.00 N ATOM 0 H LYS A 10 1.249 -16.928 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.166 -14.894 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.211 -17.670 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.521 -17.425 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.219 -15.722 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.414 -17.270 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.723 -16.518 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.174 -15.029 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.386 -14.143 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.841 -14.909 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.468 -15.504 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.009 -16.880 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.506 -16.138 -7.546 1.00 0.00 H new ATOM 117 N LYS A 11 -1.665 -16.137 -0.656 1.00 0.00 N ATOM 118 CA LYS A 11 -2.773 -15.936 0.261 1.00 0.00 C ATOM 119 C LYS A 11 -2.563 -14.631 1.031 1.00 0.00 C ATOM 120 O LYS A 11 -3.511 -13.883 1.263 1.00 0.00 O ATOM 121 CB LYS A 11 -2.951 -17.160 1.163 1.00 0.00 C ATOM 122 CG LYS A 11 -3.706 -18.273 0.433 1.00 0.00 C ATOM 123 CD LYS A 11 -5.218 -18.108 0.595 1.00 0.00 C ATOM 124 CE LYS A 11 -5.975 -19.106 -0.283 1.00 0.00 C ATOM 125 NZ LYS A 11 -7.278 -18.543 -0.704 1.00 0.00 N ATOM 0 H LYS A 11 -0.985 -16.835 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.708 -15.835 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.975 -17.526 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.495 -16.876 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.447 -18.259 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.399 -19.243 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.494 -18.255 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.507 -17.091 0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.378 -19.353 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.134 -20.034 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.779 -19.234 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.852 -18.330 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.120 -17.669 -1.246 1.00 0.00 H new ATOM 139 N PHE A 12 -1.314 -14.397 1.405 1.00 0.00 N ATOM 140 CA PHE A 12 -0.967 -13.195 2.144 1.00 0.00 C ATOM 141 C PHE A 12 -1.252 -11.940 1.315 1.00 0.00 C ATOM 142 O PHE A 12 -1.956 -11.039 1.768 1.00 0.00 O ATOM 143 CB PHE A 12 0.533 -13.267 2.438 1.00 0.00 C ATOM 144 CG PHE A 12 1.129 -11.959 2.962 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.426 -10.953 2.097 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.361 -11.803 4.292 1.00 0.00 C ATOM 147 CE1 PHE A 12 1.979 -9.738 2.583 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.914 -10.589 4.779 1.00 0.00 C ATOM 149 CZ PHE A 12 2.211 -9.582 3.914 1.00 0.00 C ATOM 0 H PHE A 12 -0.530 -15.019 1.210 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.558 -13.137 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.712 -14.054 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.058 -13.554 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.241 -11.078 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.125 -12.602 4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.215 -8.939 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.099 -10.465 5.836 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.631 -8.659 4.284 1.00 0.00 H new ATOM 159 N ILE A 13 -0.690 -11.923 0.115 1.00 0.00 N ATOM 160 CA ILE A 13 -0.875 -10.794 -0.781 1.00 0.00 C ATOM 161 C ILE A 13 -2.372 -10.542 -0.975 1.00 0.00 C ATOM 162 O ILE A 13 -2.847 -9.425 -0.778 1.00 0.00 O ATOM 163 CB ILE A 13 -0.116 -11.019 -2.090 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.127 -9.695 -2.818 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.838 -12.036 -2.976 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.258 -8.905 -2.156 1.00 0.00 C ATOM 0 H ILE A 13 -0.107 -12.672 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.452 -9.889 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 13 0.861 -11.438 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.377 -9.890 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.787 -9.101 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.277 -12.177 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.915 -12.987 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.837 -11.669 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.410 -7.969 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.994 -8.691 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.176 -9.492 -2.183 1.00 0.00 H new ATOM 178 N ASP A 14 -3.073 -11.599 -1.357 1.00 0.00 N ATOM 179 CA ASP A 14 -4.506 -11.506 -1.579 1.00 0.00 C ATOM 180 C ASP A 14 -5.161 -10.822 -0.377 1.00 0.00 C ATOM 181 O ASP A 14 -5.874 -9.832 -0.535 1.00 0.00 O ATOM 182 CB ASP A 14 -5.131 -12.894 -1.731 1.00 0.00 C ATOM 183 CG ASP A 14 -6.123 -13.034 -2.887 1.00 0.00 C ATOM 184 OD1 ASP A 14 -6.042 -12.194 -3.809 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.940 -13.978 -2.823 1.00 0.00 O ATOM 0 H ASP A 14 -2.675 -12.524 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.669 -10.935 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.332 -13.623 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.640 -13.150 -0.802 1.00 0.00 H new ATOM 190 N GLN A 15 -4.895 -11.377 0.796 1.00 0.00 N ATOM 191 CA GLN A 15 -5.450 -10.832 2.024 1.00 0.00 C ATOM 192 C GLN A 15 -5.232 -9.319 2.079 1.00 0.00 C ATOM 193 O GLN A 15 -6.092 -8.582 2.558 1.00 0.00 O ATOM 194 CB GLN A 15 -4.844 -11.518 3.250 1.00 0.00 C ATOM 195 CG GLN A 15 -5.349 -12.957 3.379 1.00 0.00 C ATOM 196 CD GLN A 15 -5.951 -13.205 4.764 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.098 -12.893 5.036 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.114 -13.782 5.621 1.00 0.00 N ATOM 0 H GLN A 15 -4.303 -12.198 0.923 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.523 -11.025 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.757 -11.516 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.100 -10.957 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.099 -13.153 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.527 -13.652 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.166 -14.017 5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.420 -13.989 6.572 1.00 0.00 H new ATOM 207 N VAL A 16 -4.078 -8.900 1.582 1.00 0.00 N ATOM 208 CA VAL A 16 -3.736 -7.488 1.568 1.00 0.00 C ATOM 209 C VAL A 16 -4.582 -6.774 0.512 1.00 0.00 C ATOM 210 O VAL A 16 -5.177 -5.733 0.788 1.00 0.00 O ATOM 211 CB VAL A 16 -2.232 -7.315 1.347 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.861 -5.835 1.232 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.433 -7.996 2.460 1.00 0.00 C ATOM 0 H VAL A 16 -3.367 -9.514 1.185 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.963 -7.030 2.531 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.974 -7.799 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.786 -5.740 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.391 -5.391 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.141 -5.317 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.367 -7.858 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.698 -7.554 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.664 -9.061 2.474 1.00 0.00 H new ATOM 223 N ILE A 17 -4.608 -7.361 -0.676 1.00 0.00 N ATOM 224 CA ILE A 17 -5.370 -6.793 -1.774 1.00 0.00 C ATOM 225 C ILE A 17 -6.703 -6.261 -1.244 1.00 0.00 C ATOM 226 O ILE A 17 -7.106 -5.147 -1.573 1.00 0.00 O ATOM 227 CB ILE A 17 -5.522 -7.813 -2.905 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.155 -8.289 -3.400 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.379 -7.250 -4.040 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.159 -7.129 -3.462 1.00 0.00 C ATOM 0 H ILE A 17 -4.113 -8.224 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.838 -5.946 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.044 -8.685 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.774 -9.065 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.258 -8.737 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.471 -7.995 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.369 -7.001 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.908 -6.352 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.196 -7.495 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.531 -6.366 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.040 -6.698 -2.468 1.00 0.00 H new ATOM 242 N GLU A 18 -7.350 -7.084 -0.431 1.00 0.00 N ATOM 243 CA GLU A 18 -8.629 -6.710 0.148 1.00 0.00 C ATOM 244 C GLU A 18 -8.525 -5.343 0.827 1.00 0.00 C ATOM 245 O GLU A 18 -9.361 -4.469 0.603 1.00 0.00 O ATOM 246 CB GLU A 18 -9.118 -7.775 1.132 1.00 0.00 C ATOM 247 CG GLU A 18 -9.712 -8.974 0.392 1.00 0.00 C ATOM 248 CD GLU A 18 -11.161 -8.701 -0.020 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.338 -8.034 -1.062 1.00 0.00 O ATOM 250 OE2 GLU A 18 -12.057 -9.165 0.716 1.00 0.00 O ATOM 0 H GLU A 18 -7.012 -8.008 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.363 -6.640 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.289 -8.104 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.868 -7.345 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.114 -9.193 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.672 -9.856 1.031 1.00 0.00 H new ATOM 257 N LYS A 19 -7.491 -5.200 1.644 1.00 0.00 N ATOM 258 CA LYS A 19 -7.267 -3.954 2.357 1.00 0.00 C ATOM 259 C LYS A 19 -7.168 -2.806 1.350 1.00 0.00 C ATOM 260 O LYS A 19 -7.760 -1.747 1.551 1.00 0.00 O ATOM 261 CB LYS A 19 -6.049 -4.074 3.275 1.00 0.00 C ATOM 262 CG LYS A 19 -6.367 -4.938 4.497 1.00 0.00 C ATOM 263 CD LYS A 19 -5.115 -5.660 4.999 1.00 0.00 C ATOM 264 CE LYS A 19 -5.264 -6.060 6.468 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.545 -7.326 6.736 1.00 0.00 N ATOM 0 H LYS A 19 -6.799 -5.927 1.828 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.110 -3.732 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.215 -4.510 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.734 -3.082 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.774 -4.314 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.134 -5.669 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.936 -6.548 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.246 -5.013 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.872 -5.270 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.320 -6.175 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.656 -7.583 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.938 -8.081 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.535 -7.204 6.520 1.00 0.00 H new ATOM 279 N ILE A 20 -6.414 -3.056 0.290 1.00 0.00 N ATOM 280 CA ILE A 20 -6.229 -2.056 -0.749 1.00 0.00 C ATOM 281 C ILE A 20 -7.582 -1.735 -1.388 1.00 0.00 C ATOM 282 O ILE A 20 -8.063 -0.607 -1.298 1.00 0.00 O ATOM 283 CB ILE A 20 -5.168 -2.515 -1.751 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.801 -2.653 -1.078 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.119 -1.581 -2.963 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.990 -3.785 -1.713 1.00 0.00 C ATOM 0 H ILE A 20 -5.924 -3.936 0.128 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.850 -1.128 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.448 -3.503 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.253 -1.715 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.933 -2.848 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.357 -1.929 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.090 -1.577 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.875 -0.571 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.023 -3.862 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.530 -4.725 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.839 -3.575 -2.772 1.00 0.00 H new ATOM 298 N GLU A 21 -8.157 -2.748 -2.020 1.00 0.00 N ATOM 299 CA GLU A 21 -9.444 -2.588 -2.674 1.00 0.00 C ATOM 300 C GLU A 21 -10.359 -1.694 -1.834 1.00 0.00 C ATOM 301 O GLU A 21 -10.854 -0.677 -2.318 1.00 0.00 O ATOM 302 CB GLU A 21 -10.097 -3.946 -2.939 1.00 0.00 C ATOM 303 CG GLU A 21 -9.500 -4.608 -4.182 1.00 0.00 C ATOM 304 CD GLU A 21 -10.598 -5.195 -5.071 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.526 -4.428 -5.409 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.485 -6.398 -5.394 1.00 0.00 O ATOM 0 H GLU A 21 -7.755 -3.683 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.282 -2.105 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.958 -4.595 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.171 -3.817 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.923 -3.876 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.809 -5.396 -3.882 1.00 0.00 H new ATOM 313 N ASP A 22 -10.555 -2.106 -0.590 1.00 0.00 N ATOM 314 CA ASP A 22 -11.402 -1.355 0.322 1.00 0.00 C ATOM 315 C ASP A 22 -10.912 0.093 0.390 1.00 0.00 C ATOM 316 O ASP A 22 -11.686 1.025 0.179 1.00 0.00 O ATOM 317 CB ASP A 22 -11.345 -1.940 1.734 1.00 0.00 C ATOM 318 CG ASP A 22 -12.556 -1.624 2.614 1.00 0.00 C ATOM 319 OD1 ASP A 22 -12.851 -0.419 2.761 1.00 0.00 O ATOM 320 OD2 ASP A 22 -13.159 -2.595 3.119 1.00 0.00 O ATOM 0 H ASP A 22 -10.142 -2.950 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.426 -1.406 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.242 -3.023 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.448 -1.568 2.229 1.00 0.00 H new ATOM 325 N PHE A 23 -9.628 0.236 0.686 1.00 0.00 N ATOM 326 CA PHE A 23 -9.026 1.555 0.785 1.00 0.00 C ATOM 327 C PHE A 23 -9.278 2.370 -0.485 1.00 0.00 C ATOM 328 O PHE A 23 -9.476 3.582 -0.420 1.00 0.00 O ATOM 329 CB PHE A 23 -7.520 1.347 0.953 1.00 0.00 C ATOM 330 CG PHE A 23 -6.668 2.485 0.388 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.867 3.761 0.816 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.711 2.222 -0.542 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.076 4.817 0.291 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.920 3.278 -1.066 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.119 4.554 -0.638 1.00 0.00 C ATOM 0 H PHE A 23 -8.988 -0.539 0.860 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.458 2.099 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.296 1.231 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.235 0.416 0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.626 3.971 1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.553 1.209 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.235 5.830 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.160 3.068 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.517 5.357 -1.036 1.00 0.00 H new ATOM 345 N LEU A 24 -9.262 1.671 -1.611 1.00 0.00 N ATOM 346 CA LEU A 24 -9.486 2.314 -2.894 1.00 0.00 C ATOM 347 C LEU A 24 -10.962 2.697 -3.016 1.00 0.00 C ATOM 348 O LEU A 24 -11.289 3.773 -3.517 1.00 0.00 O ATOM 349 CB LEU A 24 -8.985 1.425 -4.034 1.00 0.00 C ATOM 350 CG LEU A 24 -7.508 1.030 -3.976 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.219 -0.149 -4.907 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.607 2.230 -4.275 1.00 0.00 C ATOM 0 H LEU A 24 -9.097 0.666 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.910 3.237 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.584 0.514 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.166 1.941 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.282 0.702 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.162 -0.410 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.822 -1.006 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.467 0.127 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.563 1.922 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.828 2.611 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.788 3.013 -3.539 1.00 0.00 H new ATOM 364 N GLN A 25 -11.815 1.796 -2.551 1.00 0.00 N ATOM 365 CA GLN A 25 -13.249 2.026 -2.603 1.00 0.00 C ATOM 366 C GLN A 25 -13.603 3.329 -1.883 1.00 0.00 C ATOM 367 O GLN A 25 -14.296 4.181 -2.439 1.00 0.00 O ATOM 368 CB GLN A 25 -14.016 0.845 -2.006 1.00 0.00 C ATOM 369 CG GLN A 25 -14.120 -0.305 -3.010 1.00 0.00 C ATOM 370 CD GLN A 25 -15.382 -0.173 -3.865 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.791 0.909 -4.251 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.973 -1.333 -4.139 1.00 0.00 N ATOM 0 H GLN A 25 -11.541 0.905 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.545 2.118 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.513 0.500 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.015 1.167 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.240 -0.312 -3.653 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.134 -1.257 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.577 -2.203 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.822 -1.352 -4.704 1.00 0.00 H new ATOM 381 N SER A 26 -13.113 3.444 -0.658 1.00 0.00 N ATOM 382 CA SER A 26 -13.369 4.629 0.143 1.00 0.00 C ATOM 383 C SER A 26 -12.934 5.881 -0.621 1.00 0.00 C ATOM 384 O SER A 26 -11.968 5.844 -1.381 1.00 0.00 O ATOM 385 CB SER A 26 -12.646 4.551 1.489 1.00 0.00 C ATOM 386 OG SER A 26 -13.377 5.201 2.526 1.00 0.00 O ATOM 0 H SER A 26 -12.540 2.736 -0.200 1.00 0.00 H new ATOM 0 HA SER A 26 -14.440 4.684 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.489 3.506 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.661 5.008 1.398 1.00 0.00 H new ATOM 0 HG SER A 26 -13.983 4.559 2.951 1.00 0.00 H new ATOM 392 N GLU A 27 -13.668 6.960 -0.392 1.00 0.00 N ATOM 393 CA GLU A 27 -13.370 8.221 -1.049 1.00 0.00 C ATOM 394 C GLU A 27 -12.438 9.066 -0.179 1.00 0.00 C ATOM 395 O GLU A 27 -11.356 9.454 -0.616 1.00 0.00 O ATOM 396 CB GLU A 27 -14.655 8.985 -1.379 1.00 0.00 C ATOM 397 CG GLU A 27 -14.366 10.469 -1.610 1.00 0.00 C ATOM 398 CD GLU A 27 -15.645 11.226 -1.976 1.00 0.00 C ATOM 399 OE1 GLU A 27 -15.975 11.232 -3.182 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.263 11.780 -1.042 1.00 0.00 O ATOM 0 H GLU A 27 -14.469 6.987 0.240 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.862 8.007 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.118 8.558 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.369 8.873 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.927 10.902 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.632 10.580 -2.408 1.00 0.00 H new ATOM 407 N GLU A 28 -12.893 9.327 1.038 1.00 0.00 N ATOM 408 CA GLU A 28 -12.113 10.119 1.974 1.00 0.00 C ATOM 409 C GLU A 28 -10.677 9.596 2.045 1.00 0.00 C ATOM 410 O GLU A 28 -9.725 10.363 1.910 1.00 0.00 O ATOM 411 CB GLU A 28 -12.762 10.127 3.360 1.00 0.00 C ATOM 412 CG GLU A 28 -12.794 11.542 3.942 1.00 0.00 C ATOM 413 CD GLU A 28 -13.231 11.521 5.408 1.00 0.00 C ATOM 414 OE1 GLU A 28 -12.854 10.550 6.099 1.00 0.00 O ATOM 415 OE2 GLU A 28 -13.933 12.477 5.804 1.00 0.00 O ATOM 0 H GLU A 28 -13.791 9.004 1.397 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.087 11.148 1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.777 9.735 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.209 9.467 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.806 11.996 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.479 12.162 3.363 1.00 0.00 H new ATOM 422 N LYS A 29 -10.566 8.292 2.256 1.00 0.00 N ATOM 423 CA LYS A 29 -9.262 7.657 2.346 1.00 0.00 C ATOM 424 C LYS A 29 -8.332 8.261 1.292 1.00 0.00 C ATOM 425 O LYS A 29 -8.663 8.286 0.108 1.00 0.00 O ATOM 426 CB LYS A 29 -9.398 6.137 2.248 1.00 0.00 C ATOM 427 CG LYS A 29 -10.254 5.588 3.392 1.00 0.00 C ATOM 428 CD LYS A 29 -10.148 4.064 3.473 1.00 0.00 C ATOM 429 CE LYS A 29 -10.731 3.543 4.788 1.00 0.00 C ATOM 430 NZ LYS A 29 -12.050 2.912 4.556 1.00 0.00 N ATOM 0 H LYS A 29 -11.358 7.658 2.367 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.810 7.851 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.848 5.869 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.410 5.677 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.933 6.029 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.295 5.876 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.677 3.614 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.104 3.764 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.048 2.820 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.834 4.364 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.522 2.748 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.637 3.540 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.919 2.004 4.066 1.00 0.00 H new ATOM 444 N ARG A 30 -7.185 8.732 1.761 1.00 0.00 N ATOM 445 CA ARG A 30 -6.205 9.333 0.873 1.00 0.00 C ATOM 446 C ARG A 30 -4.921 8.501 0.859 1.00 0.00 C ATOM 447 O ARG A 30 -4.245 8.413 -0.165 1.00 0.00 O ATOM 448 CB ARG A 30 -5.873 10.763 1.306 1.00 0.00 C ATOM 449 CG ARG A 30 -6.960 11.739 0.851 1.00 0.00 C ATOM 450 CD ARG A 30 -6.656 12.286 -0.545 1.00 0.00 C ATOM 451 NE ARG A 30 -7.478 13.489 -0.807 1.00 0.00 N ATOM 452 CZ ARG A 30 -8.780 13.454 -1.125 1.00 0.00 C ATOM 453 NH1 ARG A 30 -9.415 12.279 -1.221 1.00 0.00 N ATOM 454 NH2 ARG A 30 -9.446 14.596 -1.346 1.00 0.00 N ATOM 0 H ARG A 30 -6.913 8.709 2.744 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.636 9.359 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.773 10.804 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.913 11.061 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.927 11.236 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.034 12.563 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.598 12.534 -0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.862 11.524 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.026 14.401 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.908 11.410 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.406 12.253 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.962 15.491 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.437 14.570 -1.588 1.00 0.00 H new ATOM 468 N SER A 31 -4.622 7.913 2.008 1.00 0.00 N ATOM 469 CA SER A 31 -3.431 7.092 2.141 1.00 0.00 C ATOM 470 C SER A 31 -3.697 5.937 3.109 1.00 0.00 C ATOM 471 O SER A 31 -4.183 6.152 4.218 1.00 0.00 O ATOM 472 CB SER A 31 -2.239 7.923 2.621 1.00 0.00 C ATOM 473 OG SER A 31 -2.519 9.320 2.598 1.00 0.00 O ATOM 0 H SER A 31 -5.184 7.989 2.856 1.00 0.00 H new ATOM 0 HA SER A 31 -3.184 6.686 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.973 7.623 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.375 7.716 1.990 1.00 0.00 H new ATOM 0 HG SER A 31 -1.735 9.816 2.913 1.00 0.00 H new ATOM 479 N LEU A 32 -3.366 4.737 2.654 1.00 0.00 N ATOM 480 CA LEU A 32 -3.563 3.549 3.465 1.00 0.00 C ATOM 481 C LEU A 32 -2.250 3.188 4.162 1.00 0.00 C ATOM 482 O LEU A 32 -1.170 3.482 3.649 1.00 0.00 O ATOM 483 CB LEU A 32 -4.143 2.413 2.620 1.00 0.00 C ATOM 484 CG LEU A 32 -4.493 1.127 3.373 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.708 1.336 4.279 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.694 -0.039 2.403 1.00 0.00 C ATOM 0 H LEU A 32 -2.963 4.563 1.734 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.297 3.740 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.044 2.778 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.427 2.168 1.836 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.652 0.868 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.936 0.407 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.489 2.118 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.566 1.632 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.942 -0.940 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.507 0.195 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.777 -0.204 1.837 1.00 0.00 H new ATOM 498 N GLU A 33 -2.384 2.557 5.319 1.00 0.00 N ATOM 499 CA GLU A 33 -1.221 2.153 6.090 1.00 0.00 C ATOM 500 C GLU A 33 -1.310 0.669 6.449 1.00 0.00 C ATOM 501 O GLU A 33 -2.258 0.241 7.106 1.00 0.00 O ATOM 502 CB GLU A 33 -1.072 3.013 7.348 1.00 0.00 C ATOM 503 CG GLU A 33 -1.142 4.502 7.005 1.00 0.00 C ATOM 504 CD GLU A 33 -0.441 5.344 8.073 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.945 5.343 9.217 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.583 5.969 7.722 1.00 0.00 O ATOM 0 H GLU A 33 -3.281 2.316 5.741 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.333 2.305 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.859 2.763 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.121 2.792 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.677 4.678 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.184 4.811 6.919 1.00 0.00 H new ATOM 513 N LEU A 34 -0.311 -0.077 6.001 1.00 0.00 N ATOM 514 CA LEU A 34 -0.265 -1.505 6.266 1.00 0.00 C ATOM 515 C LEU A 34 0.526 -1.755 7.551 1.00 0.00 C ATOM 516 O LEU A 34 1.070 -0.823 8.141 1.00 0.00 O ATOM 517 CB LEU A 34 0.280 -2.258 5.051 1.00 0.00 C ATOM 518 CG LEU A 34 -0.715 -2.513 3.917 1.00 0.00 C ATOM 519 CD1 LEU A 34 0.009 -2.914 2.631 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.763 -3.548 4.331 1.00 0.00 C ATOM 0 H LEU A 34 0.473 0.281 5.456 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.270 -1.895 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.123 -1.696 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.669 -3.218 5.389 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.244 -1.582 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.722 -3.089 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.684 -2.114 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.581 -3.825 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.458 -3.711 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.269 -4.487 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.310 -3.184 5.201 1.00 0.00 H new ATOM 532 N ASP A 35 0.567 -3.019 7.946 1.00 0.00 N ATOM 533 CA ASP A 35 1.283 -3.404 9.151 1.00 0.00 C ATOM 534 C ASP A 35 2.751 -3.661 8.806 1.00 0.00 C ATOM 535 O ASP A 35 3.072 -4.024 7.675 1.00 0.00 O ATOM 536 CB ASP A 35 0.705 -4.689 9.748 1.00 0.00 C ATOM 537 CG ASP A 35 1.115 -5.977 9.029 1.00 0.00 C ATOM 538 OD1 ASP A 35 2.328 -6.278 9.052 1.00 0.00 O ATOM 539 OD2 ASP A 35 0.206 -6.630 8.474 1.00 0.00 O ATOM 0 H ASP A 35 0.116 -3.790 7.453 1.00 0.00 H new ATOM 0 HA ASP A 35 1.186 -2.595 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.014 -4.759 10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.383 -4.618 9.742 1.00 0.00 H new ATOM 544 N PRO A 36 3.625 -3.458 9.827 1.00 0.00 N ATOM 545 CA PRO A 36 5.052 -3.663 9.643 1.00 0.00 C ATOM 546 C PRO A 36 5.390 -5.155 9.605 1.00 0.00 C ATOM 547 O PRO A 36 5.296 -5.843 10.620 1.00 0.00 O ATOM 548 CB PRO A 36 5.708 -2.935 10.805 1.00 0.00 C ATOM 549 CG PRO A 36 4.617 -2.745 11.846 1.00 0.00 C ATOM 550 CD PRO A 36 3.281 -3.028 11.179 1.00 0.00 C ATOM 0 HA PRO A 36 5.414 -3.273 8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.538 -3.514 11.210 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.115 -1.975 10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.773 -3.418 12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.639 -1.729 12.241 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.728 -3.802 11.712 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.650 -2.139 11.163 1.00 0.00 H new ATOM 558 N CYS A 37 5.778 -5.611 8.423 1.00 0.00 N ATOM 559 CA CYS A 37 6.131 -7.008 8.239 1.00 0.00 C ATOM 560 C CYS A 37 7.609 -7.181 8.592 1.00 0.00 C ATOM 561 O CYS A 37 8.227 -6.277 9.154 1.00 0.00 O ATOM 562 CB CYS A 37 5.823 -7.487 6.819 1.00 0.00 C ATOM 563 SG CYS A 37 6.743 -6.474 5.604 1.00 0.00 S ATOM 0 H CYS A 37 5.856 -5.037 7.583 1.00 0.00 H new ATOM 0 HA CYS A 37 5.526 -7.628 8.900 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.098 -8.536 6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.752 -7.417 6.627 1.00 0.00 H new ATOM 0 HG CYS A 37 6.070 -6.411 4.493 1.00 0.00 H new ATOM 569 N THR A 38 8.135 -8.348 8.248 1.00 0.00 N ATOM 570 CA THR A 38 9.529 -8.650 8.521 1.00 0.00 C ATOM 571 C THR A 38 10.422 -8.111 7.401 1.00 0.00 C ATOM 572 O THR A 38 11.270 -7.253 7.637 1.00 0.00 O ATOM 573 CB THR A 38 9.654 -10.161 8.724 1.00 0.00 C ATOM 574 OG1 THR A 38 9.422 -10.706 7.428 1.00 0.00 O ATOM 575 CG2 THR A 38 8.521 -10.733 9.578 1.00 0.00 C ATOM 0 H THR A 38 7.620 -9.095 7.783 1.00 0.00 H new ATOM 0 HA THR A 38 9.870 -8.156 9.431 1.00 0.00 H new ATOM 0 HB THR A 38 10.611 -10.386 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.486 -11.683 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.658 -11.808 9.691 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.532 -10.261 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.565 -10.538 9.092 1.00 0.00 H new ATOM 583 N GLY A 39 10.199 -8.638 6.206 1.00 0.00 N ATOM 584 CA GLY A 39 10.972 -8.221 5.049 1.00 0.00 C ATOM 585 C GLY A 39 10.501 -8.943 3.785 1.00 0.00 C ATOM 586 O GLY A 39 10.012 -8.311 2.850 1.00 0.00 O ATOM 0 H GLY A 39 9.494 -9.350 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.877 -7.144 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.028 -8.429 5.219 1.00 0.00 H new ATOM 590 N PHE A 40 10.665 -10.258 3.797 1.00 0.00 N ATOM 591 CA PHE A 40 10.262 -11.073 2.664 1.00 0.00 C ATOM 592 C PHE A 40 8.923 -10.600 2.097 1.00 0.00 C ATOM 593 O PHE A 40 8.846 -10.184 0.941 1.00 0.00 O ATOM 594 CB PHE A 40 10.108 -12.506 3.176 1.00 0.00 C ATOM 595 CG PHE A 40 10.160 -13.569 2.077 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.183 -13.571 1.180 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.184 -14.512 1.996 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.231 -14.557 0.160 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.232 -15.499 0.976 1.00 0.00 C ATOM 600 CZ PHE A 40 10.254 -15.500 0.079 1.00 0.00 C ATOM 0 H PHE A 40 11.072 -10.779 4.574 1.00 0.00 H new ATOM 0 HA PHE A 40 11.007 -11.002 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.897 -12.709 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.159 -12.592 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.959 -12.822 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.372 -14.511 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.043 -14.558 -0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.457 -16.249 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.290 -16.250 -0.698 1.00 0.00 H new ATOM 610 N GLN A 41 7.900 -10.678 2.936 1.00 0.00 N ATOM 611 CA GLN A 41 6.567 -10.263 2.532 1.00 0.00 C ATOM 612 C GLN A 41 6.616 -8.877 1.885 1.00 0.00 C ATOM 613 O GLN A 41 6.037 -8.664 0.821 1.00 0.00 O ATOM 614 CB GLN A 41 5.605 -10.279 3.721 1.00 0.00 C ATOM 615 CG GLN A 41 5.047 -11.685 3.956 1.00 0.00 C ATOM 616 CD GLN A 41 5.847 -12.419 5.033 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.614 -13.329 4.762 1.00 0.00 O ATOM 618 NE2 GLN A 41 5.627 -11.975 6.267 1.00 0.00 N ATOM 0 H GLN A 41 7.967 -11.022 3.894 1.00 0.00 H new ATOM 0 HA GLN A 41 6.194 -10.974 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.122 -9.935 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.785 -9.584 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.001 -11.620 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.077 -12.252 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.972 -11.209 6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.114 -12.400 7.056 1.00 0.00 H new ATOM 627 N ARG A 42 7.313 -7.971 2.554 1.00 0.00 N ATOM 628 CA ARG A 42 7.446 -6.612 2.058 1.00 0.00 C ATOM 629 C ARG A 42 7.738 -6.622 0.556 1.00 0.00 C ATOM 630 O ARG A 42 7.076 -5.927 -0.213 1.00 0.00 O ATOM 631 CB ARG A 42 8.567 -5.867 2.785 1.00 0.00 C ATOM 632 CG ARG A 42 8.325 -4.356 2.763 1.00 0.00 C ATOM 633 CD ARG A 42 9.648 -3.589 2.733 1.00 0.00 C ATOM 634 NE ARG A 42 10.162 -3.520 1.347 1.00 0.00 N ATOM 635 CZ ARG A 42 11.367 -3.038 1.015 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.190 -2.579 1.968 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.750 -3.014 -0.269 1.00 0.00 N ATOM 0 H ARG A 42 7.792 -8.152 3.436 1.00 0.00 H new ATOM 0 HA ARG A 42 6.504 -6.097 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.630 -6.214 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.524 -6.093 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.728 -4.092 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.751 -4.063 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.503 -2.583 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.378 -4.081 3.376 1.00 0.00 H new ATOM 0 HE ARG A 42 9.561 -3.861 0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.899 -2.597 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.108 -2.212 1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.124 -3.363 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.668 -2.647 -0.521 1.00 0.00 H new ATOM 651 N LYS A 43 8.731 -7.416 0.184 1.00 0.00 N ATOM 652 CA LYS A 43 9.120 -7.525 -1.211 1.00 0.00 C ATOM 653 C LYS A 43 7.934 -8.042 -2.028 1.00 0.00 C ATOM 654 O LYS A 43 7.698 -7.585 -3.145 1.00 0.00 O ATOM 655 CB LYS A 43 10.382 -8.379 -1.351 1.00 0.00 C ATOM 656 CG LYS A 43 11.524 -7.811 -0.506 1.00 0.00 C ATOM 657 CD LYS A 43 12.880 -8.093 -1.157 1.00 0.00 C ATOM 658 CE LYS A 43 13.892 -6.998 -0.814 1.00 0.00 C ATOM 659 NZ LYS A 43 15.029 -7.563 -0.054 1.00 0.00 N ATOM 0 H LYS A 43 9.278 -7.990 0.825 1.00 0.00 H new ATOM 0 HA LYS A 43 9.380 -6.545 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.169 -9.402 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.684 -8.419 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.391 -6.736 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.497 -8.250 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.256 -9.059 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.762 -8.158 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.255 -6.531 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.407 -6.217 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.706 -6.807 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.680 -7.988 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.501 -8.292 -0.626 1.00 0.00 H new ATOM 673 N LEU A 44 7.219 -8.989 -1.438 1.00 0.00 N ATOM 674 CA LEU A 44 6.063 -9.574 -2.097 1.00 0.00 C ATOM 675 C LEU A 44 5.041 -8.474 -2.394 1.00 0.00 C ATOM 676 O LEU A 44 4.532 -8.380 -3.510 1.00 0.00 O ATOM 677 CB LEU A 44 5.500 -10.729 -1.266 1.00 0.00 C ATOM 678 CG LEU A 44 6.521 -11.750 -0.759 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.841 -12.836 0.076 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.328 -12.339 -1.917 1.00 0.00 C ATOM 0 H LEU A 44 7.418 -9.366 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 44 6.350 -10.011 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.976 -10.311 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.758 -11.255 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 44 7.225 -11.234 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.589 -13.549 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.347 -12.380 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.102 -13.355 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.046 -13.062 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.654 -12.836 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.860 -11.540 -2.433 1.00 0.00 H new ATOM 692 N ILE A 45 4.771 -7.671 -1.375 1.00 0.00 N ATOM 693 CA ILE A 45 3.818 -6.583 -1.513 1.00 0.00 C ATOM 694 C ILE A 45 4.210 -5.717 -2.712 1.00 0.00 C ATOM 695 O ILE A 45 3.419 -5.535 -3.636 1.00 0.00 O ATOM 696 CB ILE A 45 3.703 -5.802 -0.202 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.982 -6.627 0.865 1.00 0.00 C ATOM 698 CG2 ILE A 45 3.032 -4.446 -0.429 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.214 -6.042 2.260 1.00 0.00 C ATOM 0 H ILE A 45 5.195 -7.752 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 45 2.820 -6.973 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 45 4.709 -5.605 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.914 -6.652 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.337 -7.657 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.963 -3.911 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.623 -3.861 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.031 -4.598 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.691 -6.647 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.281 -6.041 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.836 -5.020 2.294 1.00 0.00 H new ATOM 711 N TYR A 46 5.432 -5.206 -2.658 1.00 0.00 N ATOM 712 CA TYR A 46 5.938 -4.363 -3.728 1.00 0.00 C ATOM 713 C TYR A 46 5.902 -5.099 -5.069 1.00 0.00 C ATOM 714 O TYR A 46 5.518 -4.524 -6.086 1.00 0.00 O ATOM 715 CB TYR A 46 7.393 -4.054 -3.369 1.00 0.00 C ATOM 716 CG TYR A 46 7.562 -2.851 -2.438 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.352 -1.574 -2.917 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.924 -3.044 -1.120 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.511 -0.442 -2.041 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.084 -1.912 -0.245 1.00 0.00 C ATOM 721 CZ TYR A 46 7.869 -0.667 -0.748 1.00 0.00 C ATOM 722 OH TYR A 46 8.020 0.402 0.079 1.00 0.00 O ATOM 0 H TYR A 46 6.086 -5.360 -1.890 1.00 0.00 H new ATOM 0 HA TYR A 46 5.331 -3.463 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.834 -4.931 -2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.952 -3.872 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.069 -1.424 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.087 -4.044 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.350 0.563 -2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.368 -2.049 0.788 1.00 0.00 H new ATOM 0 HH TYR A 46 7.420 1.123 -0.205 1.00 0.00 H new ATOM 732 N GLN A 47 6.307 -6.360 -5.027 1.00 0.00 N ATOM 733 CA GLN A 47 6.325 -7.180 -6.226 1.00 0.00 C ATOM 734 C GLN A 47 4.929 -7.240 -6.850 1.00 0.00 C ATOM 735 O GLN A 47 4.764 -6.965 -8.038 1.00 0.00 O ATOM 736 CB GLN A 47 6.850 -8.584 -5.922 1.00 0.00 C ATOM 737 CG GLN A 47 8.236 -8.796 -6.534 1.00 0.00 C ATOM 738 CD GLN A 47 8.154 -9.665 -7.791 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.131 -9.754 -8.449 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.285 -10.299 -8.085 1.00 0.00 N ATOM 0 H GLN A 47 6.625 -6.834 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 47 7.004 -6.722 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.898 -8.732 -4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.157 -9.328 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.679 -7.832 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.892 -9.269 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.106 -10.180 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.332 -10.904 -8.905 1.00 0.00 H new ATOM 749 N THR A 48 3.961 -7.601 -6.022 1.00 0.00 N ATOM 750 CA THR A 48 2.584 -7.700 -6.477 1.00 0.00 C ATOM 751 C THR A 48 2.099 -6.349 -7.006 1.00 0.00 C ATOM 752 O THR A 48 1.774 -6.221 -8.186 1.00 0.00 O ATOM 753 CB THR A 48 1.741 -8.238 -5.320 1.00 0.00 C ATOM 754 OG1 THR A 48 1.985 -9.642 -5.335 1.00 0.00 O ATOM 755 CG2 THR A 48 0.239 -8.119 -5.585 1.00 0.00 C ATOM 0 H THR A 48 4.102 -7.829 -5.038 1.00 0.00 H new ATOM 0 HA THR A 48 2.493 -8.393 -7.314 1.00 0.00 H new ATOM 0 HB THR A 48 1.993 -7.699 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.520 -9.889 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.313 -8.515 -4.733 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.023 -7.071 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.019 -8.686 -6.480 1.00 0.00 H new ATOM 763 N LEU A 49 2.065 -5.376 -6.108 1.00 0.00 N ATOM 764 CA LEU A 49 1.625 -4.039 -6.470 1.00 0.00 C ATOM 765 C LEU A 49 2.363 -3.588 -7.732 1.00 0.00 C ATOM 766 O LEU A 49 1.883 -2.719 -8.459 1.00 0.00 O ATOM 767 CB LEU A 49 1.788 -3.083 -5.287 1.00 0.00 C ATOM 768 CG LEU A 49 1.106 -3.506 -3.984 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.443 -2.537 -2.849 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.404 -3.657 -4.179 1.00 0.00 C ATOM 0 H LEU A 49 2.335 -5.486 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 49 0.561 -4.039 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.853 -2.956 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.399 -2.107 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 49 1.493 -4.484 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.946 -2.861 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.521 -2.523 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.102 -1.536 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.864 -3.958 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.826 -2.705 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.599 -4.415 -4.937 1.00 0.00 H new ATOM 782 N SER A 50 3.519 -4.197 -7.953 1.00 0.00 N ATOM 783 CA SER A 50 4.328 -3.869 -9.114 1.00 0.00 C ATOM 784 C SER A 50 3.495 -4.012 -10.390 1.00 0.00 C ATOM 785 O SER A 50 3.582 -3.176 -11.288 1.00 0.00 O ATOM 786 CB SER A 50 5.570 -4.759 -9.189 1.00 0.00 C ATOM 787 OG SER A 50 6.668 -4.092 -9.807 1.00 0.00 O ATOM 0 H SER A 50 3.914 -4.916 -7.347 1.00 0.00 H new ATOM 0 HA SER A 50 4.660 -2.835 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.854 -5.070 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.334 -5.664 -9.748 1.00 0.00 H new ATOM 0 HG SER A 50 7.442 -4.692 -9.834 1.00 0.00 H new ATOM 793 N TRP A 51 2.708 -5.077 -10.428 1.00 0.00 N ATOM 794 CA TRP A 51 1.861 -5.340 -11.579 1.00 0.00 C ATOM 795 C TRP A 51 0.406 -5.133 -11.152 1.00 0.00 C ATOM 796 O TRP A 51 -0.427 -4.715 -11.954 1.00 0.00 O ATOM 797 CB TRP A 51 2.125 -6.735 -12.147 1.00 0.00 C ATOM 798 CG TRP A 51 2.160 -7.841 -11.090 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.232 -8.362 -10.476 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.025 -8.545 -10.544 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.872 -9.346 -9.579 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.487 -9.461 -9.621 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.347 -8.412 -10.821 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.644 -10.315 -8.900 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.177 -9.273 -10.092 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.727 -10.201 -9.159 1.00 0.00 C ATOM 0 H TRP A 51 2.639 -5.768 -9.681 1.00 0.00 H new ATOM 0 HA TRP A 51 2.087 -4.649 -12.391 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.352 -6.970 -12.879 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.076 -6.725 -12.680 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.249 -8.050 -10.661 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.505 -9.889 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.730 -7.702 -11.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.031 -11.024 -8.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.241 -9.212 -10.267 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.432 -10.831 -8.637 1.00 0.00 H new ATOM 817 N LYS A 52 0.145 -5.437 -9.889 1.00 0.00 N ATOM 818 CA LYS A 52 -1.195 -5.290 -9.345 1.00 0.00 C ATOM 819 C LYS A 52 -1.639 -3.832 -9.481 1.00 0.00 C ATOM 820 O LYS A 52 -2.808 -3.558 -9.749 1.00 0.00 O ATOM 821 CB LYS A 52 -1.252 -5.819 -7.911 1.00 0.00 C ATOM 822 CG LYS A 52 -1.713 -7.278 -7.882 1.00 0.00 C ATOM 823 CD LYS A 52 -2.673 -7.527 -6.717 1.00 0.00 C ATOM 824 CE LYS A 52 -4.128 -7.488 -7.189 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.711 -8.848 -7.183 1.00 0.00 N ATOM 0 H LYS A 52 0.838 -5.784 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.904 -5.894 -9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.268 -5.736 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.934 -5.207 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.205 -7.526 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.848 -7.935 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.459 -8.496 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.517 -6.774 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.710 -6.834 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.180 -7.068 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.362 -8.950 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.950 -9.552 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.232 -8.999 -6.295 1.00 0.00 H new ATOM 839 N TYR A 53 -0.682 -2.936 -9.291 1.00 0.00 N ATOM 840 CA TYR A 53 -0.960 -1.513 -9.389 1.00 0.00 C ATOM 841 C TYR A 53 0.313 -0.726 -9.705 1.00 0.00 C ATOM 842 O TYR A 53 0.919 -0.134 -8.812 1.00 0.00 O ATOM 843 CB TYR A 53 -1.480 -1.089 -8.014 1.00 0.00 C ATOM 844 CG TYR A 53 -2.648 -1.934 -7.502 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.939 -1.627 -7.881 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.411 -3.003 -6.663 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.039 -2.423 -7.399 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.510 -3.799 -6.181 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.770 -3.469 -6.573 1.00 0.00 C ATOM 850 OH TYR A 53 -5.808 -4.220 -6.118 1.00 0.00 O ATOM 0 H TYR A 53 0.286 -3.167 -9.070 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.677 -1.316 -10.186 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.663 -1.144 -7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.793 -0.046 -8.061 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.125 -0.791 -8.539 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.400 -3.243 -6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.054 -2.194 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.338 -4.638 -5.524 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.529 -4.218 -6.782 1.00 0.00 H new ATOM 860 N PRO A 54 0.692 -0.745 -11.011 1.00 0.00 N ATOM 861 CA PRO A 54 1.882 -0.040 -11.455 1.00 0.00 C ATOM 862 C PRO A 54 1.637 1.469 -11.512 1.00 0.00 C ATOM 863 O PRO A 54 2.518 2.258 -11.173 1.00 0.00 O ATOM 864 CB PRO A 54 2.211 -0.641 -12.812 1.00 0.00 C ATOM 865 CG PRO A 54 0.938 -1.325 -13.285 1.00 0.00 C ATOM 866 CD PRO A 54 -0.001 -1.435 -12.095 1.00 0.00 C ATOM 0 HA PRO A 54 2.721 -0.156 -10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.524 0.131 -13.515 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.032 -1.354 -12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.472 -0.752 -14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.162 -2.313 -13.687 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.965 -0.972 -12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.197 -2.477 -11.840 1.00 0.00 H new ATOM 874 N LYS A 55 0.436 1.825 -11.944 1.00 0.00 N ATOM 875 CA LYS A 55 0.064 3.225 -12.050 1.00 0.00 C ATOM 876 C LYS A 55 -1.351 3.415 -11.502 1.00 0.00 C ATOM 877 O LYS A 55 -2.307 2.852 -12.033 1.00 0.00 O ATOM 878 CB LYS A 55 0.238 3.719 -13.488 1.00 0.00 C ATOM 879 CG LYS A 55 -0.342 2.715 -14.486 1.00 0.00 C ATOM 880 CD LYS A 55 -1.215 3.419 -15.527 1.00 0.00 C ATOM 881 CE LYS A 55 -0.717 3.133 -16.945 1.00 0.00 C ATOM 882 NZ LYS A 55 -1.849 2.782 -17.831 1.00 0.00 N ATOM 0 H LYS A 55 -0.292 1.168 -12.225 1.00 0.00 H new ATOM 0 HA LYS A 55 0.727 3.842 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.256 4.683 -13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.296 3.875 -13.697 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.468 2.183 -14.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.933 1.969 -13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.248 3.085 -15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.208 4.494 -15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.198 4.007 -17.338 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.004 2.316 -16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.493 2.591 -18.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.327 1.935 -17.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.523 3.573 -17.863 1.00 0.00 H new ATOM 896 N GLY A 56 -1.441 4.211 -10.447 1.00 0.00 N ATOM 897 CA GLY A 56 -2.724 4.482 -9.821 1.00 0.00 C ATOM 898 C GLY A 56 -2.553 4.799 -8.334 1.00 0.00 C ATOM 899 O GLY A 56 -3.258 5.648 -7.791 1.00 0.00 O ATOM 0 H GLY A 56 -0.646 4.677 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.207 5.321 -10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.380 3.619 -9.939 1.00 0.00 H new ATOM 903 N ILE A 57 -1.613 4.098 -7.717 1.00 0.00 N ATOM 904 CA ILE A 57 -1.340 4.293 -6.303 1.00 0.00 C ATOM 905 C ILE A 57 0.162 4.504 -6.103 1.00 0.00 C ATOM 906 O ILE A 57 0.956 4.239 -7.004 1.00 0.00 O ATOM 907 CB ILE A 57 -1.914 3.137 -5.482 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.535 1.788 -6.096 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.427 3.285 -5.311 1.00 0.00 C ATOM 910 CD1 ILE A 57 -0.028 1.701 -6.343 1.00 0.00 C ATOM 0 H ILE A 57 -1.031 3.394 -8.171 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.840 5.190 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.473 3.172 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.845 0.982 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.070 1.649 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.810 2.450 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.645 4.221 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.905 3.289 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.214 0.732 -6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.275 2.493 -7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.503 1.816 -5.398 1.00 0.00 H new ATOM 922 N HIS A 58 0.507 4.978 -4.915 1.00 0.00 N ATOM 923 CA HIS A 58 1.900 5.227 -4.584 1.00 0.00 C ATOM 924 C HIS A 58 2.253 4.513 -3.278 1.00 0.00 C ATOM 925 O HIS A 58 1.678 4.805 -2.231 1.00 0.00 O ATOM 926 CB HIS A 58 2.186 6.729 -4.534 1.00 0.00 C ATOM 927 CG HIS A 58 3.400 7.096 -3.714 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.509 7.724 -4.256 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.667 6.919 -2.388 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.397 7.910 -3.290 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.874 7.410 -2.134 1.00 0.00 N ATOM 0 H HIS A 58 -0.154 5.196 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 58 2.541 4.819 -5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.323 7.097 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.315 7.241 -4.124 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.623 7.997 -5.232 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.008 6.458 -1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.365 8.376 -3.399 1.00 0.00 H new ATOM 939 N VAL A 59 3.198 3.589 -3.383 1.00 0.00 N ATOM 940 CA VAL A 59 3.635 2.831 -2.223 1.00 0.00 C ATOM 941 C VAL A 59 4.902 3.468 -1.650 1.00 0.00 C ATOM 942 O VAL A 59 5.829 3.789 -2.391 1.00 0.00 O ATOM 943 CB VAL A 59 3.823 1.360 -2.601 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.248 0.532 -1.386 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.554 0.790 -3.236 1.00 0.00 C ATOM 0 H VAL A 59 3.673 3.349 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 59 2.876 2.858 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 59 4.621 1.304 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.375 -0.509 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.191 0.916 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.482 0.599 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.715 -0.256 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.728 0.866 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.313 1.354 -4.137 1.00 0.00 H new ATOM 955 N GLU A 60 4.901 3.632 -0.335 1.00 0.00 N ATOM 956 CA GLU A 60 6.039 4.226 0.346 1.00 0.00 C ATOM 957 C GLU A 60 6.278 3.528 1.687 1.00 0.00 C ATOM 958 O GLU A 60 5.329 3.201 2.398 1.00 0.00 O ATOM 959 CB GLU A 60 5.839 5.730 0.539 1.00 0.00 C ATOM 960 CG GLU A 60 4.431 6.035 1.054 1.00 0.00 C ATOM 961 CD GLU A 60 3.913 7.357 0.484 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.764 8.234 0.222 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.678 7.460 0.324 1.00 0.00 O ATOM 0 H GLU A 60 4.130 3.364 0.277 1.00 0.00 H new ATOM 0 HA GLU A 60 6.923 4.088 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.578 6.111 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.004 6.247 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.755 5.226 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.441 6.083 2.143 1.00 0.00 H new ATOM 970 N THR A 61 7.550 3.320 1.991 1.00 0.00 N ATOM 971 CA THR A 61 7.926 2.667 3.234 1.00 0.00 C ATOM 972 C THR A 61 8.609 3.663 4.173 1.00 0.00 C ATOM 973 O THR A 61 9.583 4.312 3.795 1.00 0.00 O ATOM 974 CB THR A 61 8.799 1.460 2.888 1.00 0.00 C ATOM 975 OG1 THR A 61 7.865 0.452 2.512 1.00 0.00 O ATOM 976 CG2 THR A 61 9.504 0.876 4.115 1.00 0.00 C ATOM 0 H THR A 61 8.334 3.592 1.398 1.00 0.00 H new ATOM 0 HA THR A 61 7.050 2.308 3.774 1.00 0.00 H new ATOM 0 HB THR A 61 9.543 1.751 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.665 0.531 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.110 0.022 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.144 1.636 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.760 0.554 4.843 1.00 0.00 H new ATOM 1127 N HIS A 70 7.330 0.421 7.985 1.00 0.00 N ATOM 1128 CA HIS A 70 5.981 0.013 7.630 1.00 0.00 C ATOM 1129 C HIS A 70 5.648 0.516 6.224 1.00 0.00 C ATOM 1130 O HIS A 70 6.124 1.571 5.808 1.00 0.00 O ATOM 1131 CB HIS A 70 4.976 0.485 8.682 1.00 0.00 C ATOM 1132 CG HIS A 70 4.404 1.856 8.414 1.00 0.00 C ATOM 1133 ND1 HIS A 70 3.079 2.177 8.654 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.991 2.987 7.925 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.888 3.444 8.321 1.00 0.00 C ATOM 1136 NE2 HIS A 70 4.074 3.945 7.869 1.00 0.00 N ATOM 0 HA HIS A 70 5.918 -1.075 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.159 -0.234 8.737 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.462 0.490 9.658 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.026 3.086 7.633 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.957 3.986 8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.230 4.898 7.542 1.00 0.00 H new ATOM 1144 N ILE A 71 4.831 -0.264 5.530 1.00 0.00 N ATOM 1145 CA ILE A 71 4.428 0.089 4.179 1.00 0.00 C ATOM 1146 C ILE A 71 3.206 1.008 4.240 1.00 0.00 C ATOM 1147 O ILE A 71 2.320 0.813 5.070 1.00 0.00 O ATOM 1148 CB ILE A 71 4.209 -1.171 3.339 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.539 -1.858 3.023 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.413 -0.854 2.072 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.311 -3.204 2.333 1.00 0.00 C ATOM 0 H ILE A 71 4.438 -1.138 5.878 1.00 0.00 H new ATOM 0 HA ILE A 71 5.220 0.645 3.678 1.00 0.00 H new ATOM 0 HB ILE A 71 3.616 -1.873 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.141 -1.214 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.102 -2.008 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.272 -1.767 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.441 -0.444 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.958 -0.125 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.273 -3.671 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.729 -3.854 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.769 -3.048 1.400 1.00 0.00 H new ATOM 1163 N VAL A 72 3.199 1.988 3.349 1.00 0.00 N ATOM 1164 CA VAL A 72 2.100 2.938 3.291 1.00 0.00 C ATOM 1165 C VAL A 72 1.736 3.201 1.828 1.00 0.00 C ATOM 1166 O VAL A 72 2.617 3.361 0.985 1.00 0.00 O ATOM 1167 CB VAL A 72 2.469 4.212 4.054 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.639 5.402 3.567 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.309 4.013 5.562 1.00 0.00 C ATOM 0 H VAL A 72 3.936 2.145 2.662 1.00 0.00 H new ATOM 0 HA VAL A 72 1.215 2.529 3.778 1.00 0.00 H new ATOM 0 HB VAL A 72 3.518 4.431 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.921 6.295 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.824 5.565 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.580 5.195 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.578 4.933 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.273 3.758 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.962 3.206 5.894 1.00 0.00 H new ATOM 1179 N ILE A 73 0.437 3.238 1.572 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.054 3.479 0.227 1.00 0.00 C ATOM 1181 C ILE A 73 -0.698 4.866 0.164 1.00 0.00 C ATOM 1182 O ILE A 73 -1.159 5.386 1.179 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.986 2.348 -0.215 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.206 1.049 -0.430 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.786 2.749 -1.455 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.014 0.299 0.889 1.00 0.00 C ATOM 0 H ILE A 73 -0.291 3.105 2.274 1.00 0.00 H new ATOM 0 HA ILE A 73 0.771 3.477 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.704 2.164 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.738 0.415 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.766 1.273 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.440 1.927 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.388 3.630 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.101 2.976 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.543 -0.620 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.540 0.927 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.988 0.055 1.314 1.00 0.00 H new ATOM 1198 N SER A 74 -0.710 5.424 -1.038 1.00 0.00 N ATOM 1199 CA SER A 74 -1.290 6.740 -1.246 1.00 0.00 C ATOM 1200 C SER A 74 -2.135 6.744 -2.522 1.00 0.00 C ATOM 1201 O SER A 74 -2.004 5.852 -3.359 1.00 0.00 O ATOM 1202 CB SER A 74 -0.204 7.814 -1.325 1.00 0.00 C ATOM 1203 OG SER A 74 -0.452 8.748 -2.372 1.00 0.00 O ATOM 0 H SER A 74 -0.327 4.989 -1.877 1.00 0.00 H new ATOM 0 HA SER A 74 -1.929 6.971 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.147 8.343 -0.374 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.764 7.339 -1.484 1.00 0.00 H new ATOM 0 HG SER A 74 0.263 9.418 -2.388 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.981 7.757 -2.630 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.847 7.888 -3.789 1.00 0.00 C ATOM 1211 C LYS A 75 -3.102 8.642 -4.893 1.00 0.00 C ATOM 1212 O LYS A 75 -2.658 9.771 -4.688 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.177 8.532 -3.395 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.310 7.504 -3.411 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.449 7.928 -2.481 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.659 7.005 -2.640 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.867 7.788 -2.985 1.00 0.00 N ATOM 0 H LYS A 75 -3.085 8.495 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.101 6.906 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.093 8.970 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.409 9.345 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.688 7.391 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.927 6.531 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.105 7.908 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.739 8.955 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.462 6.268 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.828 6.454 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.602 7.149 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.221 8.272 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.628 8.493 -3.711 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.988 7.988 -6.040 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.305 8.583 -7.176 1.00 0.00 C ATOM 1233 C VAL A 76 -3.256 8.622 -8.374 1.00 0.00 C ATOM 1234 O VAL A 76 -4.296 7.965 -8.367 1.00 0.00 O ATOM 1235 CB VAL A 76 -1.011 7.821 -7.465 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.311 8.380 -8.706 1.00 0.00 C ATOM 1237 CG2 VAL A 76 -0.078 7.843 -6.253 1.00 0.00 C ATOM 0 H VAL A 76 -3.357 7.052 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.019 9.611 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.273 6.782 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.606 7.821 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.971 8.288 -9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.069 9.431 -8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.834 7.294 -6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.173 8.875 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.575 7.376 -5.403 1.00 0.00 H new