USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 Single : A 7 SER OG : rot 180:sc= 0.406 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.473 K(o=0.47,f=-6.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.4!) USER MOD Single : A 21 CYS SG : rot 31:sc= -0.885 USER MOD Single : A 22 GLN : amide:sc= 1.42 K(o=1.4,f=-6.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -73:sc= -0.0238 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 46 HIS : no HE2:sc= 0.638 K(o=0.64,f=-3.4!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 52 TYR OH : rot -44:sc= 0.0383 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 106:sc= 0.586 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 130:sc= 0.53 USER MOD Single : A 67 CYS SG : rot 36:sc= -0.385 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 5.473 -14.176 -5.116 1.00 0.00 N ATOM 56 CA LEU A 6 5.438 -13.212 -4.022 1.00 0.00 C ATOM 57 C LEU A 6 4.080 -13.211 -3.332 1.00 0.00 C ATOM 58 O LEU A 6 3.043 -13.373 -3.978 1.00 0.00 O ATOM 59 CB LEU A 6 5.772 -11.808 -4.542 1.00 0.00 C ATOM 60 CG LEU A 6 7.183 -11.647 -5.124 1.00 0.00 C ATOM 61 CD1 LEU A 6 7.335 -10.267 -5.748 1.00 0.00 C ATOM 62 CD2 LEU A 6 8.214 -11.860 -4.026 1.00 0.00 C ATOM 0 HA LEU A 6 6.188 -13.506 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.046 -11.540 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.649 -11.096 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 6 7.343 -12.393 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.339 -10.162 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.602 -10.146 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.172 -9.504 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.216 -11.745 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.062 -11.124 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.104 -12.863 -3.614 1.00 0.00 H new ATOM 74 N SER A 7 4.091 -13.029 -2.016 1.00 0.00 N ATOM 75 CA SER A 7 2.856 -12.903 -1.250 1.00 0.00 C ATOM 76 C SER A 7 2.224 -11.531 -1.443 1.00 0.00 C ATOM 77 O SER A 7 2.832 -10.633 -2.025 1.00 0.00 O ATOM 78 CB SER A 7 3.126 -13.159 0.220 1.00 0.00 C ATOM 79 OG SER A 7 3.837 -12.108 0.814 1.00 0.00 O ATOM 0 H SER A 7 4.942 -12.965 -1.457 1.00 0.00 H new ATOM 0 HA SER A 7 2.151 -13.649 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.180 -13.298 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.690 -14.085 0.329 1.00 0.00 H new ATOM 0 HG SER A 7 3.989 -12.310 1.761 1.00 0.00 H new ATOM 85 N LEU A 8 0.999 -11.374 -0.953 1.00 0.00 N ATOM 86 CA LEU A 8 0.320 -10.084 -0.985 1.00 0.00 C ATOM 87 C LEU A 8 1.061 -9.050 -0.149 1.00 0.00 C ATOM 88 O LEU A 8 1.071 -7.863 -0.478 1.00 0.00 O ATOM 89 CB LEU A 8 -1.124 -10.234 -0.491 1.00 0.00 C ATOM 90 CG LEU A 8 -2.172 -10.450 -1.591 1.00 0.00 C ATOM 91 CD1 LEU A 8 -1.622 -11.386 -2.659 1.00 0.00 C ATOM 92 CD2 LEU A 8 -3.444 -11.016 -0.979 1.00 0.00 C ATOM 0 H LEU A 8 0.455 -12.125 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 8 0.307 -9.734 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.169 -11.075 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.392 -9.341 0.074 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.406 -9.496 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.373 -11.533 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.726 -10.949 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.373 -12.347 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.187 -11.169 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.223 -11.968 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.834 -10.317 -0.239 1.00 0.00 H new ATOM 104 N THR A 9 1.683 -9.505 0.933 1.00 0.00 N ATOM 105 CA THR A 9 2.510 -8.638 1.765 1.00 0.00 C ATOM 106 C THR A 9 3.768 -8.203 1.025 1.00 0.00 C ATOM 107 O THR A 9 4.119 -7.023 1.019 1.00 0.00 O ATOM 108 CB THR A 9 2.912 -9.333 3.079 1.00 0.00 C ATOM 109 OG1 THR A 9 1.738 -9.633 3.843 1.00 0.00 O ATOM 110 CG2 THR A 9 3.830 -8.436 3.896 1.00 0.00 C ATOM 0 H THR A 9 1.630 -10.471 1.255 1.00 0.00 H new ATOM 0 HA THR A 9 1.909 -7.760 2.000 1.00 0.00 H new ATOM 0 HB THR A 9 3.441 -10.255 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.996 -10.077 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.104 -8.943 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.730 -8.217 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.314 -7.505 4.131 1.00 0.00 H new ATOM 118 N GLN A 10 4.444 -9.163 0.403 1.00 0.00 N ATOM 119 CA GLN A 10 5.674 -8.882 -0.330 1.00 0.00 C ATOM 120 C GLN A 10 5.401 -8.010 -1.548 1.00 0.00 C ATOM 121 O GLN A 10 6.177 -7.107 -1.862 1.00 0.00 O ATOM 122 CB GLN A 10 6.346 -10.187 -0.767 1.00 0.00 C ATOM 123 CG GLN A 10 6.978 -10.973 0.369 1.00 0.00 C ATOM 124 CD GLN A 10 7.346 -12.387 -0.041 1.00 0.00 C ATOM 125 OE1 GLN A 10 6.802 -12.929 -1.008 1.00 0.00 O ATOM 126 NE2 GLN A 10 8.268 -12.995 0.697 1.00 0.00 N ATOM 0 H GLN A 10 4.161 -10.143 0.392 1.00 0.00 H new ATOM 0 HA GLN A 10 6.343 -8.341 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.606 -10.816 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.114 -9.958 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.872 -10.453 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.286 -11.010 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.691 -12.508 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.553 -13.948 0.473 1.00 0.00 H new ATOM 135 N LEU A 11 4.296 -8.286 -2.232 1.00 0.00 N ATOM 136 CA LEU A 11 3.930 -7.538 -3.430 1.00 0.00 C ATOM 137 C LEU A 11 3.699 -6.066 -3.109 1.00 0.00 C ATOM 138 O LEU A 11 4.189 -5.184 -3.815 1.00 0.00 O ATOM 139 CB LEU A 11 2.679 -8.149 -4.073 1.00 0.00 C ATOM 140 CG LEU A 11 2.907 -9.471 -4.817 1.00 0.00 C ATOM 141 CD1 LEU A 11 1.569 -10.107 -5.171 1.00 0.00 C ATOM 142 CD2 LEU A 11 3.730 -9.213 -6.070 1.00 0.00 C ATOM 0 H LEU A 11 3.638 -9.022 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 11 4.757 -7.601 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.933 -8.312 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.258 -7.425 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 11 3.454 -10.161 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.740 -11.045 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.006 -10.302 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.002 -9.430 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.892 -10.152 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.197 -8.519 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.692 -8.783 -5.791 1.00 0.00 H new ATOM 154 N ILE A 12 2.949 -5.809 -2.045 1.00 0.00 N ATOM 155 CA ILE A 12 2.635 -4.443 -1.640 1.00 0.00 C ATOM 156 C ILE A 12 3.890 -3.695 -1.208 1.00 0.00 C ATOM 157 O ILE A 12 4.120 -2.558 -1.621 1.00 0.00 O ATOM 158 CB ILE A 12 1.612 -4.415 -0.491 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.243 -4.895 -0.982 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.509 -3.016 0.096 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.748 -5.155 0.129 1.00 0.00 C ATOM 0 H ILE A 12 2.546 -6.529 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 12 2.203 -3.949 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 12 1.953 -5.092 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.172 -4.148 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.375 -5.810 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.781 -3.015 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.482 -2.710 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.190 -2.319 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.693 -5.492 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.356 -5.924 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.911 -4.237 0.693 1.00 0.00 H new ATOM 173 N LEU A 13 4.700 -4.340 -0.375 1.00 0.00 N ATOM 174 CA LEU A 13 5.886 -3.704 0.184 1.00 0.00 C ATOM 175 C LEU A 13 6.911 -3.398 -0.901 1.00 0.00 C ATOM 176 O LEU A 13 7.546 -2.344 -0.890 1.00 0.00 O ATOM 177 CB LEU A 13 6.507 -4.598 1.264 1.00 0.00 C ATOM 178 CG LEU A 13 5.693 -4.718 2.559 1.00 0.00 C ATOM 179 CD1 LEU A 13 6.327 -5.751 3.482 1.00 0.00 C ATOM 180 CD2 LEU A 13 5.615 -3.361 3.241 1.00 0.00 C ATOM 0 H LEU A 13 4.556 -5.303 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 13 5.582 -2.760 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.650 -5.596 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.496 -4.211 1.510 1.00 0.00 H new ATOM 0 HG LEU A 13 4.682 -5.048 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.742 -5.828 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.350 -6.720 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.344 -5.445 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.036 -3.449 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.621 -3.014 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.132 -2.646 2.575 1.00 0.00 H new ATOM 192 N ILE A 14 7.067 -4.326 -1.841 1.00 0.00 N ATOM 193 CA ILE A 14 7.998 -4.148 -2.947 1.00 0.00 C ATOM 194 C ILE A 14 7.509 -3.075 -3.912 1.00 0.00 C ATOM 195 O ILE A 14 8.296 -2.273 -4.414 1.00 0.00 O ATOM 196 CB ILE A 14 8.214 -5.461 -3.721 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.982 -6.468 -2.860 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.956 -5.196 -5.022 1.00 0.00 C ATOM 199 CD1 ILE A 14 8.991 -7.871 -3.423 1.00 0.00 C ATOM 0 H ILE A 14 6.559 -5.210 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 14 8.947 -3.835 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 14 7.239 -5.885 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.011 -6.125 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.542 -6.489 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.100 -6.135 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.374 -4.512 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.926 -4.750 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.554 -8.526 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.967 -8.235 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.459 -7.865 -4.408 1.00 0.00 H new ATOM 211 N ARG A 15 6.205 -3.067 -4.167 1.00 0.00 N ATOM 212 CA ARG A 15 5.602 -2.066 -5.039 1.00 0.00 C ATOM 213 C ARG A 15 5.754 -0.665 -4.461 1.00 0.00 C ATOM 214 O ARG A 15 6.054 0.286 -5.182 1.00 0.00 O ATOM 215 CB ARG A 15 4.147 -2.382 -5.356 1.00 0.00 C ATOM 216 CG ARG A 15 3.453 -1.370 -6.253 1.00 0.00 C ATOM 217 CD ARG A 15 3.986 -1.312 -7.639 1.00 0.00 C ATOM 218 NE ARG A 15 3.377 -0.293 -8.476 1.00 0.00 N ATOM 219 CZ ARG A 15 3.691 -0.076 -9.768 1.00 0.00 C ATOM 220 NH1 ARG A 15 4.630 -0.777 -10.364 1.00 0.00 N ATOM 221 NH2 ARG A 15 3.047 0.879 -10.416 1.00 0.00 N ATOM 0 H ARG A 15 5.545 -3.743 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 15 6.145 -2.098 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.099 -3.361 -5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.594 -2.455 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.390 -1.608 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.540 -0.382 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.060 -1.133 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.844 -2.284 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 15 2.661 0.300 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.133 -1.498 -9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.855 -0.600 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.334 1.429 -9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.263 1.066 -11.395 1.00 0.00 H new ATOM 235 N LEU A 16 5.546 -0.546 -3.154 1.00 0.00 N ATOM 236 CA LEU A 16 5.667 0.739 -2.474 1.00 0.00 C ATOM 237 C LEU A 16 7.128 1.142 -2.315 1.00 0.00 C ATOM 238 O LEU A 16 7.451 2.328 -2.257 1.00 0.00 O ATOM 239 CB LEU A 16 4.977 0.682 -1.106 1.00 0.00 C ATOM 240 CG LEU A 16 3.453 0.511 -1.149 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.898 0.416 0.265 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.832 1.683 -1.896 1.00 0.00 C ATOM 0 H LEU A 16 5.293 -1.324 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 16 5.175 1.494 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.403 -0.144 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.209 1.598 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 16 3.204 -0.411 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.816 0.295 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.340 -0.441 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.140 1.327 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.749 1.562 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.079 2.613 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.223 1.714 -2.913 1.00 0.00 H new ATOM 254 N SER A 17 8.007 0.147 -2.244 1.00 0.00 N ATOM 255 CA SER A 17 9.443 0.396 -2.207 1.00 0.00 C ATOM 256 C SER A 17 9.940 0.959 -3.531 1.00 0.00 C ATOM 257 O SER A 17 10.776 1.862 -3.559 1.00 0.00 O ATOM 258 CB SER A 17 10.184 -0.882 -1.864 1.00 0.00 C ATOM 259 OG SER A 17 11.573 -0.694 -1.840 1.00 0.00 O ATOM 0 H SER A 17 7.749 -0.839 -2.211 1.00 0.00 H new ATOM 0 HA SER A 17 9.639 1.139 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.850 -1.244 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.935 -1.652 -2.594 1.00 0.00 H new ATOM 0 HG SER A 17 12.014 -1.540 -1.614 1.00 0.00 H new ATOM 265 N ASN A 18 9.419 0.421 -4.629 1.00 0.00 N ATOM 266 CA ASN A 18 9.853 0.827 -5.961 1.00 0.00 C ATOM 267 C ASN A 18 9.283 2.188 -6.335 1.00 0.00 C ATOM 268 O ASN A 18 9.972 3.017 -6.931 1.00 0.00 O ATOM 269 CB ASN A 18 9.473 -0.207 -7.005 1.00 0.00 C ATOM 270 CG ASN A 18 10.292 -1.467 -6.938 1.00 0.00 C ATOM 271 OD1 ASN A 18 11.402 -1.481 -6.394 1.00 0.00 O ATOM 272 ND2 ASN A 18 9.788 -2.501 -7.560 1.00 0.00 N ATOM 0 H ASN A 18 8.695 -0.298 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 18 10.940 0.904 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.420 -0.462 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.582 0.234 -7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.316 -3.372 -7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.867 -2.437 -7.993 1.00 0.00 H new ATOM 279 N ARG A 19 8.023 2.414 -5.984 1.00 0.00 N ATOM 280 CA ARG A 19 7.288 3.575 -6.469 1.00 0.00 C ATOM 281 C ARG A 19 7.075 4.598 -5.361 1.00 0.00 C ATOM 282 O ARG A 19 6.618 5.712 -5.611 1.00 0.00 O ATOM 283 CB ARG A 19 5.973 3.186 -7.129 1.00 0.00 C ATOM 284 CG ARG A 19 6.112 2.330 -8.377 1.00 0.00 C ATOM 285 CD ARG A 19 6.674 3.045 -9.552 1.00 0.00 C ATOM 286 NE ARG A 19 6.674 2.272 -10.784 1.00 0.00 N ATOM 287 CZ ARG A 19 7.099 2.735 -11.976 1.00 0.00 C ATOM 288 NH1 ARG A 19 7.521 3.972 -12.111 1.00 0.00 N ATOM 289 NH2 ARG A 19 7.056 1.917 -13.014 1.00 0.00 N ATOM 0 H ARG A 19 7.488 1.807 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 19 7.902 4.043 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.364 2.648 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.430 4.095 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.749 1.476 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.132 1.934 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.104 3.960 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.698 3.343 -9.325 1.00 0.00 H new ATOM 0 HE ARG A 19 6.328 1.313 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.530 4.598 -11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.839 4.306 -13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.708 0.965 -12.899 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.371 2.238 -13.930 1.00 0.00 H new ATOM 303 N GLY A 20 7.410 4.211 -4.134 1.00 0.00 N ATOM 304 CA GLY A 20 7.295 5.107 -2.991 1.00 0.00 C ATOM 305 C GLY A 20 5.881 5.099 -2.423 1.00 0.00 C ATOM 306 O GLY A 20 5.669 4.744 -1.264 1.00 0.00 O ATOM 0 H GLY A 20 7.764 3.282 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.002 4.806 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.563 6.120 -3.291 1.00 0.00 H new ATOM 310 N CYS A 21 4.916 5.491 -3.249 1.00 0.00 N ATOM 311 CA CYS A 21 3.520 5.527 -2.832 1.00 0.00 C ATOM 312 C CYS A 21 2.594 5.117 -3.970 1.00 0.00 C ATOM 313 O CYS A 21 2.765 5.550 -5.109 1.00 0.00 O ATOM 314 CB CYS A 21 3.312 6.999 -2.473 1.00 0.00 C ATOM 315 SG CYS A 21 1.630 7.414 -1.952 1.00 0.00 S ATOM 0 H CYS A 21 5.076 5.788 -4.212 1.00 0.00 H new ATOM 0 HA CYS A 21 3.301 4.841 -2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.003 7.266 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.573 7.611 -3.337 1.00 0.00 H new ATOM 0 HG CYS A 21 1.090 6.385 -1.368 1.00 0.00 H new ATOM 321 N GLN A 22 1.612 4.279 -3.655 1.00 0.00 N ATOM 322 CA GLN A 22 0.620 3.858 -4.636 1.00 0.00 C ATOM 323 C GLN A 22 -0.794 3.997 -4.087 1.00 0.00 C ATOM 324 O GLN A 22 -1.004 3.967 -2.874 1.00 0.00 O ATOM 325 CB GLN A 22 0.869 2.407 -5.060 1.00 0.00 C ATOM 326 CG GLN A 22 2.109 2.214 -5.917 1.00 0.00 C ATOM 327 CD GLN A 22 1.926 2.743 -7.327 1.00 0.00 C ATOM 328 OE1 GLN A 22 1.640 1.984 -8.258 1.00 0.00 O ATOM 329 NE2 GLN A 22 2.096 4.050 -7.495 1.00 0.00 N ATOM 0 H GLN A 22 1.482 3.878 -2.726 1.00 0.00 H new ATOM 0 HA GLN A 22 0.718 4.509 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.958 1.789 -4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.000 2.047 -5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.953 2.720 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.357 1.153 -5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.332 4.640 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.991 4.463 -8.422 1.00 0.00 H new ATOM 338 N THR A 23 -1.760 4.150 -4.985 1.00 0.00 N ATOM 339 CA THR A 23 -3.160 4.255 -4.594 1.00 0.00 C ATOM 340 C THR A 23 -3.771 2.881 -4.350 1.00 0.00 C ATOM 341 O THR A 23 -3.458 1.921 -5.054 1.00 0.00 O ATOM 342 CB THR A 23 -3.992 4.994 -5.659 1.00 0.00 C ATOM 343 OG1 THR A 23 -3.409 6.278 -5.919 1.00 0.00 O ATOM 344 CG2 THR A 23 -5.424 5.179 -5.185 1.00 0.00 C ATOM 0 H THR A 23 -1.599 4.204 -5.991 1.00 0.00 H new ATOM 0 HA THR A 23 -3.183 4.828 -3.667 1.00 0.00 H new ATOM 0 HB THR A 23 -3.997 4.398 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.938 6.746 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.996 5.703 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.875 4.204 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.430 5.763 -4.265 1.00 0.00 H new ATOM 352 N LEU A 24 -4.643 2.794 -3.352 1.00 0.00 N ATOM 353 CA LEU A 24 -5.292 1.534 -3.010 1.00 0.00 C ATOM 354 C LEU A 24 -5.727 0.781 -4.261 1.00 0.00 C ATOM 355 O LEU A 24 -5.499 -0.423 -4.383 1.00 0.00 O ATOM 356 CB LEU A 24 -6.498 1.792 -2.096 1.00 0.00 C ATOM 357 CG LEU A 24 -7.291 0.541 -1.696 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.389 -0.432 -0.949 1.00 0.00 C ATOM 359 CD2 LEU A 24 -8.478 0.946 -0.834 1.00 0.00 C ATOM 0 H LEU A 24 -4.917 3.582 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.570 0.913 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.148 2.287 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.173 2.486 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.662 0.043 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.961 -1.317 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.559 -0.725 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.001 0.048 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.041 0.057 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.121 1.451 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.123 1.620 -1.397 1.00 0.00 H new ATOM 371 N GLU A 25 -6.354 1.497 -5.189 1.00 0.00 N ATOM 372 CA GLU A 25 -6.840 0.893 -6.423 1.00 0.00 C ATOM 373 C GLU A 25 -5.687 0.386 -7.279 1.00 0.00 C ATOM 374 O GLU A 25 -5.803 -0.641 -7.948 1.00 0.00 O ATOM 375 CB GLU A 25 -7.681 1.897 -7.215 1.00 0.00 C ATOM 376 CG GLU A 25 -9.024 2.229 -6.583 1.00 0.00 C ATOM 377 CD GLU A 25 -9.752 3.285 -7.367 1.00 0.00 C ATOM 378 OE1 GLU A 25 -9.199 3.777 -8.320 1.00 0.00 O ATOM 379 OE2 GLU A 25 -10.904 3.519 -7.085 1.00 0.00 O ATOM 0 H GLU A 25 -6.537 2.497 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.465 0.041 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.110 2.818 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.852 1.500 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.635 1.328 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.872 2.573 -5.560 1.00 0.00 H new ATOM 386 N GLU A 26 -4.574 1.111 -7.255 1.00 0.00 N ATOM 387 CA GLU A 26 -3.390 0.723 -8.012 1.00 0.00 C ATOM 388 C GLU A 26 -2.752 -0.532 -7.432 1.00 0.00 C ATOM 389 O GLU A 26 -2.295 -1.406 -8.170 1.00 0.00 O ATOM 390 CB GLU A 26 -2.373 1.866 -8.038 1.00 0.00 C ATOM 391 CG GLU A 26 -2.796 3.064 -8.876 1.00 0.00 C ATOM 392 CD GLU A 26 -1.865 4.228 -8.674 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.033 4.153 -7.802 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.909 5.142 -9.462 1.00 0.00 O ATOM 0 H GLU A 26 -4.467 1.972 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.704 0.505 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.192 2.199 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.426 1.485 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.811 2.786 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.811 3.357 -8.609 1.00 0.00 H new ATOM 401 N LEU A 27 -2.723 -0.617 -6.106 1.00 0.00 N ATOM 402 CA LEU A 27 -2.220 -1.803 -5.425 1.00 0.00 C ATOM 403 C LEU A 27 -3.126 -3.003 -5.667 1.00 0.00 C ATOM 404 O LEU A 27 -2.658 -4.137 -5.774 1.00 0.00 O ATOM 405 CB LEU A 27 -2.081 -1.533 -3.922 1.00 0.00 C ATOM 406 CG LEU A 27 -0.969 -0.550 -3.535 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.066 -0.209 -2.054 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.386 -1.163 -3.859 1.00 0.00 C ATOM 0 H LEU A 27 -3.043 0.123 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.237 -2.037 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.030 -1.148 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.899 -2.480 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.083 0.372 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.272 0.489 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.034 0.247 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.961 -1.119 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.176 -0.465 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.509 -2.090 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.444 -1.374 -4.927 1.00 0.00 H new ATOM 420 N GLU A 28 -4.427 -2.748 -5.751 1.00 0.00 N ATOM 421 CA GLU A 28 -5.394 -3.793 -6.069 1.00 0.00 C ATOM 422 C GLU A 28 -5.147 -4.369 -7.457 1.00 0.00 C ATOM 423 O GLU A 28 -5.146 -5.586 -7.643 1.00 0.00 O ATOM 424 CB GLU A 28 -6.822 -3.249 -5.972 1.00 0.00 C ATOM 425 CG GLU A 28 -7.906 -4.272 -6.278 1.00 0.00 C ATOM 426 CD GLU A 28 -9.272 -3.646 -6.245 1.00 0.00 C ATOM 427 OE1 GLU A 28 -9.361 -2.471 -5.982 1.00 0.00 O ATOM 428 OE2 GLU A 28 -10.218 -4.312 -6.594 1.00 0.00 O ATOM 0 H GLU A 28 -4.837 -1.826 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.270 -4.594 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.981 -2.858 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.926 -2.410 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.728 -4.711 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.858 -5.084 -5.552 1.00 0.00 H new ATOM 435 N GLU A 29 -4.938 -3.488 -8.429 1.00 0.00 N ATOM 436 CA GLU A 29 -4.686 -3.908 -9.803 1.00 0.00 C ATOM 437 C GLU A 29 -3.326 -4.582 -9.932 1.00 0.00 C ATOM 438 O GLU A 29 -3.148 -5.496 -10.737 1.00 0.00 O ATOM 439 CB GLU A 29 -4.770 -2.712 -10.753 1.00 0.00 C ATOM 440 CG GLU A 29 -6.177 -2.166 -10.953 1.00 0.00 C ATOM 441 CD GLU A 29 -6.165 -0.918 -11.790 1.00 0.00 C ATOM 442 OE1 GLU A 29 -5.100 -0.471 -12.141 1.00 0.00 O ATOM 443 OE2 GLU A 29 -7.222 -0.474 -12.175 1.00 0.00 O ATOM 0 H GLU A 29 -4.938 -2.477 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.454 -4.632 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.135 -1.914 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.365 -3.004 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.798 -2.922 -11.433 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.627 -1.952 -9.984 1.00 0.00 H new ATOM 450 N PHE A 30 -2.367 -4.128 -9.131 1.00 0.00 N ATOM 451 CA PHE A 30 -1.024 -4.694 -9.146 1.00 0.00 C ATOM 452 C PHE A 30 -1.033 -6.148 -8.690 1.00 0.00 C ATOM 453 O PHE A 30 -0.464 -7.020 -9.349 1.00 0.00 O ATOM 454 CB PHE A 30 -0.087 -3.872 -8.261 1.00 0.00 C ATOM 455 CG PHE A 30 1.307 -4.424 -8.176 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.189 -4.291 -9.240 1.00 0.00 C ATOM 457 CD2 PHE A 30 1.741 -5.079 -7.034 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.472 -4.798 -9.161 1.00 0.00 C ATOM 459 CE2 PHE A 30 3.024 -5.586 -6.953 1.00 0.00 C ATOM 460 CZ PHE A 30 3.889 -5.446 -8.020 1.00 0.00 C ATOM 0 H PHE A 30 -2.496 -3.368 -8.463 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.661 -4.662 -10.173 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.041 -2.853 -8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.507 -3.816 -7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.869 -3.786 -10.139 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.068 -5.195 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.149 -4.686 -9.995 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.350 -6.091 -6.056 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.891 -5.844 -7.960 1.00 0.00 H new ATOM 470 N THR A 31 -1.683 -6.404 -7.560 1.00 0.00 N ATOM 471 CA THR A 31 -1.721 -7.743 -6.984 1.00 0.00 C ATOM 472 C THR A 31 -2.857 -8.566 -7.577 1.00 0.00 C ATOM 473 O THR A 31 -2.846 -9.795 -7.511 1.00 0.00 O ATOM 474 CB THR A 31 -1.878 -7.695 -5.453 1.00 0.00 C ATOM 475 OG1 THR A 31 -3.136 -7.096 -5.118 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.752 -6.887 -4.826 1.00 0.00 C ATOM 0 H THR A 31 -2.191 -5.701 -7.024 1.00 0.00 H new ATOM 0 HA THR A 31 -0.770 -8.217 -7.227 1.00 0.00 H new ATOM 0 HB THR A 31 -1.838 -8.713 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.096 -6.132 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.880 -6.864 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.205 -7.348 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.774 -5.869 -5.216 1.00 0.00 H new ATOM 484 N GLN A 32 -3.838 -7.882 -8.154 1.00 0.00 N ATOM 485 CA GLN A 32 -5.030 -8.541 -8.674 1.00 0.00 C ATOM 486 C GLN A 32 -5.707 -9.379 -7.598 1.00 0.00 C ATOM 487 O GLN A 32 -6.278 -10.432 -7.884 1.00 0.00 O ATOM 488 CB GLN A 32 -4.676 -9.425 -9.872 1.00 0.00 C ATOM 489 CG GLN A 32 -4.089 -8.668 -11.051 1.00 0.00 C ATOM 490 CD GLN A 32 -3.792 -9.575 -12.230 1.00 0.00 C ATOM 491 OE1 GLN A 32 -4.152 -10.756 -12.229 1.00 0.00 O ATOM 492 NE2 GLN A 32 -3.130 -9.029 -13.244 1.00 0.00 N ATOM 0 H GLN A 32 -3.831 -6.869 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.724 -7.765 -8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.963 -10.185 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.574 -9.949 -10.201 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.785 -7.889 -11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.171 -8.170 -10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.852 -8.049 -13.203 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.900 -9.590 -14.064 1.00 0.00 H new ATOM 501 N ALA A 33 -5.641 -8.908 -6.357 1.00 0.00 N ATOM 502 CA ALA A 33 -6.216 -9.632 -5.230 1.00 0.00 C ATOM 503 C ALA A 33 -7.449 -8.921 -4.690 1.00 0.00 C ATOM 504 O ALA A 33 -7.702 -7.760 -5.017 1.00 0.00 O ATOM 505 CB ALA A 33 -5.181 -9.812 -4.130 1.00 0.00 C ATOM 0 H ALA A 33 -5.194 -8.026 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.524 -10.616 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.627 -10.354 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.333 -10.376 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.841 -8.835 -3.787 1.00 0.00 H new ATOM 511 N LYS A 34 -8.216 -9.621 -3.862 1.00 0.00 N ATOM 512 CA LYS A 34 -9.398 -9.041 -3.234 1.00 0.00 C ATOM 513 C LYS A 34 -9.030 -7.834 -2.381 1.00 0.00 C ATOM 514 O LYS A 34 -8.135 -7.906 -1.539 1.00 0.00 O ATOM 515 CB LYS A 34 -10.121 -10.087 -2.385 1.00 0.00 C ATOM 516 CG LYS A 34 -11.444 -9.613 -1.797 1.00 0.00 C ATOM 517 CD LYS A 34 -12.162 -10.741 -1.072 1.00 0.00 C ATOM 518 CE LYS A 34 -13.513 -10.287 -0.540 1.00 0.00 C ATOM 519 NZ LYS A 34 -14.237 -11.385 0.155 1.00 0.00 N ATOM 0 H LYS A 34 -8.040 -10.593 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.068 -8.706 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.305 -10.970 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.464 -10.394 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.263 -8.790 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.080 -9.226 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.301 -11.582 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.545 -11.096 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.370 -9.454 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.122 -9.917 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.152 -11.033 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.397 -12.170 -0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.669 -11.721 0.958 1.00 0.00 H new ATOM 533 N ARG A 35 -9.728 -6.725 -2.603 1.00 0.00 N ATOM 534 CA ARG A 35 -9.432 -5.482 -1.901 1.00 0.00 C ATOM 535 C ARG A 35 -9.470 -5.678 -0.391 1.00 0.00 C ATOM 536 O ARG A 35 -8.580 -5.221 0.325 1.00 0.00 O ATOM 537 CB ARG A 35 -10.346 -4.345 -2.339 1.00 0.00 C ATOM 538 CG ARG A 35 -10.009 -2.988 -1.740 1.00 0.00 C ATOM 539 CD ARG A 35 -10.877 -1.879 -2.210 1.00 0.00 C ATOM 540 NE ARG A 35 -10.851 -1.661 -3.648 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.758 -0.933 -4.328 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.783 -0.384 -3.715 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.604 -0.805 -5.634 1.00 0.00 N ATOM 0 H ARG A 35 -10.503 -6.662 -3.264 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.417 -5.194 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.309 -4.266 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.372 -4.599 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.081 -3.055 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.972 -2.747 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.903 -2.083 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.573 -0.959 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.093 -2.089 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.901 -0.506 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.460 0.164 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.814 -1.251 -6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.275 -0.260 -6.176 1.00 0.00 H new ATOM 557 N GLU A 36 -10.506 -6.359 0.085 1.00 0.00 N ATOM 558 CA GLU A 36 -10.664 -6.612 1.513 1.00 0.00 C ATOM 559 C GLU A 36 -9.436 -7.306 2.088 1.00 0.00 C ATOM 560 O GLU A 36 -8.907 -6.894 3.122 1.00 0.00 O ATOM 561 CB GLU A 36 -11.915 -7.457 1.771 1.00 0.00 C ATOM 562 CG GLU A 36 -12.182 -7.750 3.239 1.00 0.00 C ATOM 563 CD GLU A 36 -13.462 -8.517 3.419 1.00 0.00 C ATOM 564 OE1 GLU A 36 -14.125 -8.767 2.441 1.00 0.00 O ATOM 565 OE2 GLU A 36 -13.723 -8.951 4.517 1.00 0.00 O ATOM 0 H GLU A 36 -11.249 -6.746 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.777 -5.650 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.780 -6.942 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.817 -8.402 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.352 -8.321 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.235 -6.814 3.795 1.00 0.00 H new ATOM 572 N VAL A 37 -8.988 -8.359 1.415 1.00 0.00 N ATOM 573 CA VAL A 37 -7.815 -9.106 1.854 1.00 0.00 C ATOM 574 C VAL A 37 -6.569 -8.229 1.847 1.00 0.00 C ATOM 575 O VAL A 37 -5.736 -8.312 2.751 1.00 0.00 O ATOM 576 CB VAL A 37 -7.567 -10.341 0.967 1.00 0.00 C ATOM 577 CG1 VAL A 37 -6.240 -10.993 1.323 1.00 0.00 C ATOM 578 CG2 VAL A 37 -8.705 -11.338 1.113 1.00 0.00 C ATOM 0 H VAL A 37 -9.420 -8.715 0.562 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.017 -9.437 2.873 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.524 -10.016 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.080 -11.864 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.431 -10.279 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.256 -11.304 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.513 -12.204 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.778 -11.658 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.641 -10.868 0.812 1.00 0.00 H new ATOM 588 N LEU A 38 -6.447 -7.390 0.825 1.00 0.00 N ATOM 589 CA LEU A 38 -5.331 -6.459 0.726 1.00 0.00 C ATOM 590 C LEU A 38 -5.364 -5.436 1.854 1.00 0.00 C ATOM 591 O LEU A 38 -4.323 -5.025 2.364 1.00 0.00 O ATOM 592 CB LEU A 38 -5.348 -5.753 -0.635 1.00 0.00 C ATOM 593 CG LEU A 38 -5.044 -6.651 -1.841 1.00 0.00 C ATOM 594 CD1 LEU A 38 -5.383 -5.922 -3.134 1.00 0.00 C ATOM 595 CD2 LEU A 38 -3.575 -7.054 -1.819 1.00 0.00 C ATOM 0 H LEU A 38 -7.110 -7.336 0.051 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.407 -7.029 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.328 -5.299 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.621 -4.941 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.656 -7.551 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.164 -6.568 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.442 -5.663 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.787 -5.012 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.360 -7.692 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.952 -6.161 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.361 -7.598 -0.899 1.00 0.00 H new ATOM 607 N LEU A 39 -6.569 -5.030 2.242 1.00 0.00 N ATOM 608 CA LEU A 39 -6.742 -4.056 3.312 1.00 0.00 C ATOM 609 C LEU A 39 -6.370 -4.652 4.664 1.00 0.00 C ATOM 610 O LEU A 39 -5.894 -3.947 5.554 1.00 0.00 O ATOM 611 CB LEU A 39 -8.187 -3.543 3.334 1.00 0.00 C ATOM 612 CG LEU A 39 -8.566 -2.611 2.178 1.00 0.00 C ATOM 613 CD1 LEU A 39 -10.067 -2.353 2.185 1.00 0.00 C ATOM 614 CD2 LEU A 39 -7.796 -1.305 2.303 1.00 0.00 C ATOM 0 H LEU A 39 -7.441 -5.362 1.830 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.072 -3.218 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.860 -4.400 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.355 -3.017 4.274 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.305 -3.084 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.326 -1.690 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.599 -3.298 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.352 -1.887 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.066 -0.643 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.043 -0.826 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.726 -1.509 2.268 1.00 0.00 H new ATOM 626 N VAL A 40 -6.588 -5.954 4.811 1.00 0.00 N ATOM 627 CA VAL A 40 -6.167 -6.670 6.008 1.00 0.00 C ATOM 628 C VAL A 40 -4.649 -6.659 6.151 1.00 0.00 C ATOM 629 O VAL A 40 -4.120 -6.417 7.235 1.00 0.00 O ATOM 630 CB VAL A 40 -6.659 -8.131 5.996 1.00 0.00 C ATOM 631 CG1 VAL A 40 -6.020 -8.917 7.131 1.00 0.00 C ATOM 632 CG2 VAL A 40 -8.175 -8.182 6.104 1.00 0.00 C ATOM 0 H VAL A 40 -7.055 -6.535 4.115 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.614 -6.152 6.857 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.364 -8.586 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.378 -9.946 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.936 -8.907 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.287 -8.461 8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.506 -9.221 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.490 -7.710 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.618 -7.652 5.261 1.00 0.00 H new ATOM 642 N THR A 41 -3.955 -6.922 5.049 1.00 0.00 N ATOM 643 CA THR A 41 -2.499 -6.851 5.027 1.00 0.00 C ATOM 644 C THR A 41 -2.012 -5.430 5.281 1.00 0.00 C ATOM 645 O THR A 41 -1.073 -5.214 6.047 1.00 0.00 O ATOM 646 CB THR A 41 -1.930 -7.346 3.684 1.00 0.00 C ATOM 647 OG1 THR A 41 -2.265 -8.727 3.499 1.00 0.00 O ATOM 648 CG2 THR A 41 -0.417 -7.188 3.654 1.00 0.00 C ATOM 0 H THR A 41 -4.378 -7.186 4.159 1.00 0.00 H new ATOM 0 HA THR A 41 -2.141 -7.502 5.825 1.00 0.00 H new ATOM 0 HB THR A 41 -2.364 -6.749 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.904 -9.039 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.033 -7.543 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.158 -6.137 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.026 -7.771 4.462 1.00 0.00 H new ATOM 656 N LEU A 42 -2.654 -4.466 4.633 1.00 0.00 N ATOM 657 CA LEU A 42 -2.288 -3.062 4.788 1.00 0.00 C ATOM 658 C LEU A 42 -2.540 -2.581 6.210 1.00 0.00 C ATOM 659 O LEU A 42 -1.760 -1.801 6.759 1.00 0.00 O ATOM 660 CB LEU A 42 -3.065 -2.199 3.786 1.00 0.00 C ATOM 661 CG LEU A 42 -2.643 -2.359 2.320 1.00 0.00 C ATOM 662 CD1 LEU A 42 -3.675 -1.714 1.405 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.272 -1.732 2.114 1.00 0.00 C ATOM 0 H LEU A 42 -3.432 -4.630 3.994 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.221 -2.965 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.125 -2.438 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.951 -1.152 4.068 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.585 -3.419 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.366 -1.833 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.643 -2.194 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.757 -0.653 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.973 -1.846 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.315 -0.672 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.545 -2.228 2.757 1.00 0.00 H new ATOM 675 N THR A 43 -3.632 -3.050 6.804 1.00 0.00 N ATOM 676 CA THR A 43 -3.996 -2.656 8.160 1.00 0.00 C ATOM 677 C THR A 43 -3.011 -3.218 9.178 1.00 0.00 C ATOM 678 O THR A 43 -2.579 -2.514 10.092 1.00 0.00 O ATOM 679 CB THR A 43 -5.416 -3.126 8.523 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.369 -2.477 7.669 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.734 -2.794 9.972 1.00 0.00 C ATOM 0 H THR A 43 -4.281 -3.704 6.367 1.00 0.00 H new ATOM 0 HA THR A 43 -3.965 -1.567 8.190 1.00 0.00 H new ATOM 0 HB THR A 43 -5.470 -4.206 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.479 -2.998 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.742 -3.134 10.210 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.019 -3.294 10.625 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.670 -1.716 10.121 1.00 0.00 H new ATOM 689 N ARG A 44 -2.660 -4.489 9.016 1.00 0.00 N ATOM 690 CA ARG A 44 -1.736 -5.151 9.930 1.00 0.00 C ATOM 691 C ARG A 44 -0.348 -4.529 9.853 1.00 0.00 C ATOM 692 O ARG A 44 0.323 -4.357 10.872 1.00 0.00 O ATOM 693 CB ARG A 44 -1.685 -6.654 9.704 1.00 0.00 C ATOM 694 CG ARG A 44 -2.903 -7.417 10.204 1.00 0.00 C ATOM 695 CD ARG A 44 -2.838 -8.885 9.985 1.00 0.00 C ATOM 696 NE ARG A 44 -3.957 -9.628 10.543 1.00 0.00 N ATOM 697 CZ ARG A 44 -4.082 -10.969 10.503 1.00 0.00 C ATOM 698 NH1 ARG A 44 -3.181 -11.714 9.903 1.00 0.00 N ATOM 699 NH2 ARG A 44 -5.147 -11.514 11.064 1.00 0.00 N ATOM 0 H ARG A 44 -3.002 -5.082 8.260 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.117 -4.997 10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.569 -6.843 8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.798 -7.051 10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.024 -7.226 11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.791 -7.026 9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.788 -9.078 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.913 -9.264 10.420 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.700 -9.096 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.373 -11.278 9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.290 -12.728 9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.847 -10.922 11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.269 -12.527 11.050 1.00 0.00 H new ATOM 713 N LEU A 45 0.079 -4.194 8.640 1.00 0.00 N ATOM 714 CA LEU A 45 1.347 -3.503 8.438 1.00 0.00 C ATOM 715 C LEU A 45 1.295 -2.083 8.986 1.00 0.00 C ATOM 716 O LEU A 45 2.284 -1.574 9.515 1.00 0.00 O ATOM 717 CB LEU A 45 1.711 -3.488 6.949 1.00 0.00 C ATOM 718 CG LEU A 45 2.113 -4.846 6.359 1.00 0.00 C ATOM 719 CD1 LEU A 45 2.231 -4.745 4.845 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.431 -5.296 6.975 1.00 0.00 C ATOM 0 H LEU A 45 -0.435 -4.390 7.781 1.00 0.00 H new ATOM 0 HA LEU A 45 2.118 -4.045 8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.859 -3.104 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.533 -2.788 6.800 1.00 0.00 H new ATOM 0 HG LEU A 45 1.346 -5.585 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.517 -5.714 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.272 -4.443 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.989 -4.005 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.718 -6.261 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.205 -4.561 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.315 -5.389 8.055 1.00 0.00 H new ATOM 732 N HIS A 46 0.137 -1.446 8.856 1.00 0.00 N ATOM 733 CA HIS A 46 -0.064 -0.106 9.391 1.00 0.00 C ATOM 734 C HIS A 46 0.030 -0.098 10.911 1.00 0.00 C ATOM 735 O HIS A 46 0.604 0.816 11.502 1.00 0.00 O ATOM 736 CB HIS A 46 -1.420 0.456 8.949 1.00 0.00 C ATOM 737 CG HIS A 46 -1.657 1.869 9.384 1.00 0.00 C ATOM 738 ND1 HIS A 46 -0.898 2.925 8.928 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.568 2.399 10.235 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.332 4.046 9.478 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.344 3.752 10.274 1.00 0.00 N ATOM 0 H HIS A 46 -0.678 -1.837 8.384 1.00 0.00 H new ATOM 0 HA HIS A 46 0.729 0.528 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.488 0.403 7.862 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.213 -0.176 9.349 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.123 2.853 8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.328 1.858 10.780 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.928 5.033 9.306 1.00 0.00 H new ATOM 749 N GLN A 47 -0.536 -1.124 11.539 1.00 0.00 N ATOM 750 CA GLN A 47 -0.433 -1.287 12.983 1.00 0.00 C ATOM 751 C GLN A 47 1.003 -1.570 13.407 1.00 0.00 C ATOM 752 O GLN A 47 1.445 -1.132 14.468 1.00 0.00 O ATOM 753 CB GLN A 47 -1.345 -2.421 13.460 1.00 0.00 C ATOM 754 CG GLN A 47 -2.827 -2.088 13.418 1.00 0.00 C ATOM 755 CD GLN A 47 -3.697 -3.275 13.789 1.00 0.00 C ATOM 756 OE1 GLN A 47 -3.199 -4.379 14.022 1.00 0.00 O ATOM 757 NE2 GLN A 47 -5.006 -3.053 13.842 1.00 0.00 N ATOM 0 H GLN A 47 -1.071 -1.855 11.069 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.750 -0.352 13.444 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.164 -3.301 12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.072 -2.686 14.482 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.031 -1.264 14.101 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.092 -1.746 12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.374 -2.123 13.642 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.643 -3.812 14.083 1.00 0.00 H new ATOM 766 N ARG A 48 1.726 -2.305 12.569 1.00 0.00 N ATOM 767 CA ARG A 48 3.139 -2.572 12.810 1.00 0.00 C ATOM 768 C ARG A 48 3.971 -1.302 12.684 1.00 0.00 C ATOM 769 O ARG A 48 4.997 -1.152 13.346 1.00 0.00 O ATOM 770 CB ARG A 48 3.674 -3.680 11.913 1.00 0.00 C ATOM 771 CG ARG A 48 3.182 -5.076 12.259 1.00 0.00 C ATOM 772 CD ARG A 48 3.584 -6.124 11.285 1.00 0.00 C ATOM 773 NE ARG A 48 3.096 -7.457 11.600 1.00 0.00 N ATOM 774 CZ ARG A 48 3.221 -8.528 10.793 1.00 0.00 C ATOM 775 NH1 ARG A 48 3.783 -8.422 9.608 1.00 0.00 N ATOM 776 NH2 ARG A 48 2.742 -9.686 11.212 1.00 0.00 N ATOM 0 H ARG A 48 1.357 -2.726 11.717 1.00 0.00 H new ATOM 0 HA ARG A 48 3.227 -2.927 13.837 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.398 -3.458 10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.763 -3.672 11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.560 -5.348 13.245 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.094 -5.059 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.222 -5.842 10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.672 -6.153 11.229 1.00 0.00 H new ATOM 0 HE ARG A 48 2.626 -7.590 12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.132 -7.519 9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.870 -9.243 9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.292 -9.751 12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.822 -10.514 10.622 1.00 0.00 H new ATOM 790 N GLY A 49 3.518 -0.389 11.832 1.00 0.00 N ATOM 791 CA GLY A 49 4.222 0.870 11.613 1.00 0.00 C ATOM 792 C GLY A 49 5.046 0.824 10.333 1.00 0.00 C ATOM 793 O GLY A 49 5.971 1.616 10.149 1.00 0.00 O ATOM 0 H GLY A 49 2.666 -0.497 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.503 1.687 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.874 1.078 12.461 1.00 0.00 H new ATOM 797 N VAL A 50 4.706 -0.107 9.448 1.00 0.00 N ATOM 798 CA VAL A 50 5.438 -0.281 8.199 1.00 0.00 C ATOM 799 C VAL A 50 4.875 0.612 7.101 1.00 0.00 C ATOM 800 O VAL A 50 5.597 1.417 6.511 1.00 0.00 O ATOM 801 CB VAL A 50 5.402 -1.747 7.723 1.00 0.00 C ATOM 802 CG1 VAL A 50 6.130 -1.893 6.394 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.018 -2.662 8.770 1.00 0.00 C ATOM 0 H VAL A 50 3.927 -0.753 9.573 1.00 0.00 H new ATOM 0 HA VAL A 50 6.471 0.002 8.399 1.00 0.00 H new ATOM 0 HB VAL A 50 4.361 -2.038 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.095 -2.934 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.648 -1.265 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.169 -1.584 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.984 -3.693 8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.054 -2.371 8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.458 -2.578 9.701 1.00 0.00 H new ATOM 813 N ILE A 51 3.582 0.468 6.832 1.00 0.00 N ATOM 814 CA ILE A 51 2.924 1.252 5.795 1.00 0.00 C ATOM 815 C ILE A 51 2.021 2.320 6.400 1.00 0.00 C ATOM 816 O ILE A 51 1.277 2.055 7.344 1.00 0.00 O ATOM 817 CB ILE A 51 2.089 0.359 4.857 1.00 0.00 C ATOM 818 CG1 ILE A 51 2.989 -0.652 4.141 1.00 0.00 C ATOM 819 CG2 ILE A 51 1.331 1.210 3.849 1.00 0.00 C ATOM 820 CD1 ILE A 51 2.231 -1.672 3.325 1.00 0.00 C ATOM 0 H ILE A 51 2.969 -0.186 7.319 1.00 0.00 H new ATOM 0 HA ILE A 51 3.713 1.733 5.217 1.00 0.00 H new ATOM 0 HB ILE A 51 1.363 -0.191 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.675 -0.114 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.597 -1.172 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.746 0.564 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.664 1.891 4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.039 1.785 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.936 -2.353 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.565 -2.237 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.644 -1.163 2.560 1.00 0.00 H new ATOM 832 N TYR A 52 2.094 3.528 5.850 1.00 0.00 N ATOM 833 CA TYR A 52 1.190 4.603 6.243 1.00 0.00 C ATOM 834 C TYR A 52 0.374 5.098 5.056 1.00 0.00 C ATOM 835 O TYR A 52 0.731 4.860 3.902 1.00 0.00 O ATOM 836 CB TYR A 52 1.974 5.762 6.863 1.00 0.00 C ATOM 837 CG TYR A 52 2.760 5.380 8.098 1.00 0.00 C ATOM 838 CD1 TYR A 52 4.044 4.869 7.995 1.00 0.00 C ATOM 839 CD2 TYR A 52 2.213 5.536 9.363 1.00 0.00 C ATOM 840 CE1 TYR A 52 4.766 4.518 9.120 1.00 0.00 C ATOM 841 CE2 TYR A 52 2.925 5.189 10.495 1.00 0.00 C ATOM 842 CZ TYR A 52 4.202 4.681 10.370 1.00 0.00 C ATOM 843 OH TYR A 52 4.917 4.336 11.494 1.00 0.00 O ATOM 0 H TYR A 52 2.770 3.787 5.131 1.00 0.00 H new ATOM 0 HA TYR A 52 0.501 4.204 6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.660 6.163 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.279 6.562 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.488 4.743 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.215 5.935 9.465 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.765 4.119 9.022 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.484 5.315 11.473 1.00 0.00 H new ATOM 0 HH TYR A 52 5.357 3.472 11.349 1.00 0.00 H new ATOM 853 N ARG A 53 -0.723 5.790 5.346 1.00 0.00 N ATOM 854 CA ARG A 53 -1.691 6.156 4.318 1.00 0.00 C ATOM 855 C ARG A 53 -2.210 7.572 4.531 1.00 0.00 C ATOM 856 O ARG A 53 -2.305 8.044 5.664 1.00 0.00 O ATOM 857 CB ARG A 53 -2.831 5.152 4.221 1.00 0.00 C ATOM 858 CG ARG A 53 -3.707 5.057 5.461 1.00 0.00 C ATOM 859 CD ARG A 53 -4.748 4.000 5.396 1.00 0.00 C ATOM 860 NE ARG A 53 -5.630 3.951 6.551 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.599 3.034 6.735 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.839 2.112 5.828 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.319 3.099 7.841 1.00 0.00 N ATOM 0 H ARG A 53 -0.964 6.109 6.284 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.169 6.132 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.458 5.417 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.412 4.167 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.071 4.871 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.193 6.019 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.350 4.155 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.259 3.032 5.287 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.506 4.661 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.288 2.085 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.577 1.424 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.134 3.830 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.060 2.418 8.008 1.00 0.00 H new ATOM 877 N LYS A 54 -2.545 8.245 3.436 1.00 0.00 N ATOM 878 CA LYS A 54 -3.260 9.514 3.503 1.00 0.00 C ATOM 879 C LYS A 54 -4.537 9.471 2.676 1.00 0.00 C ATOM 880 O LYS A 54 -4.684 8.636 1.784 1.00 0.00 O ATOM 881 CB LYS A 54 -2.364 10.658 3.029 1.00 0.00 C ATOM 882 CG LYS A 54 -1.216 10.993 3.973 1.00 0.00 C ATOM 883 CD LYS A 54 -0.450 12.220 3.500 1.00 0.00 C ATOM 884 CE LYS A 54 0.671 12.578 4.464 1.00 0.00 C ATOM 885 NZ LYS A 54 1.401 13.803 4.038 1.00 0.00 N ATOM 0 H LYS A 54 -2.332 7.932 2.489 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.535 9.688 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.952 10.400 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.976 11.549 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.606 11.170 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.538 10.142 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.035 12.033 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.134 13.064 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.257 12.730 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.370 11.745 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.156 14.012 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.818 13.649 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.740 14.605 3.997 1.00 0.00 H new ATOM 899 N TRP A 55 -5.461 10.378 2.977 1.00 0.00 N ATOM 900 CA TRP A 55 -6.787 10.353 2.371 1.00 0.00 C ATOM 901 C TRP A 55 -6.962 11.493 1.378 1.00 0.00 C ATOM 902 O TRP A 55 -6.896 12.666 1.746 1.00 0.00 O ATOM 903 CB TRP A 55 -7.868 10.427 3.450 1.00 0.00 C ATOM 904 CG TRP A 55 -7.993 9.172 4.261 1.00 0.00 C ATOM 905 CD1 TRP A 55 -8.908 8.176 4.087 1.00 0.00 C ATOM 906 CD2 TRP A 55 -7.177 8.779 5.370 1.00 0.00 C ATOM 907 NE1 TRP A 55 -8.713 7.189 5.019 1.00 0.00 N ATOM 908 CE2 TRP A 55 -7.653 7.534 5.819 1.00 0.00 C ATOM 909 CE3 TRP A 55 -6.085 9.362 6.028 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -7.085 6.864 6.890 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -5.516 8.687 7.102 1.00 0.00 C ATOM 912 CH2 TRP A 55 -6.001 7.473 7.519 1.00 0.00 C ATOM 0 H TRP A 55 -5.315 11.141 3.638 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.888 9.412 1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.647 11.260 4.117 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.827 10.642 2.978 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.674 8.166 3.326 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.266 6.336 5.104 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.694 10.316 5.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.466 5.910 7.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.676 9.127 7.618 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.531 6.977 8.355 1.00 0.00 H new ATOM 923 N ARG A 56 -7.182 11.144 0.115 1.00 0.00 N ATOM 924 CA ARG A 56 -7.390 12.138 -0.931 1.00 0.00 C ATOM 925 C ARG A 56 -8.870 12.296 -1.254 1.00 0.00 C ATOM 926 O ARG A 56 -9.611 11.314 -1.312 1.00 0.00 O ATOM 927 CB ARG A 56 -6.574 11.837 -2.180 1.00 0.00 C ATOM 928 CG ARG A 56 -6.762 12.826 -3.319 1.00 0.00 C ATOM 929 CD ARG A 56 -6.077 12.443 -4.581 1.00 0.00 C ATOM 930 NE ARG A 56 -4.630 12.341 -4.471 1.00 0.00 N ATOM 931 CZ ARG A 56 -3.781 13.384 -4.555 1.00 0.00 C ATOM 932 NH1 ARG A 56 -4.223 14.601 -4.784 1.00 0.00 N ATOM 933 NH2 ARG A 56 -2.487 13.148 -4.423 1.00 0.00 N ATOM 0 H ARG A 56 -7.221 10.178 -0.209 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.030 13.091 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.518 11.812 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.835 10.841 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.828 12.936 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.395 13.802 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.472 11.485 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.320 13.177 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.230 11.415 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.223 14.767 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.566 15.379 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.156 12.197 -4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.820 13.917 -4.482 1.00 0.00 H new ATOM 947 N HIS A 57 -9.295 13.536 -1.468 1.00 0.00 N ATOM 948 CA HIS A 57 -10.663 13.815 -1.887 1.00 0.00 C ATOM 949 C HIS A 57 -10.695 14.459 -3.269 1.00 0.00 C ATOM 950 O HIS A 57 -10.887 15.668 -3.397 1.00 0.00 O ATOM 951 CB HIS A 57 -11.366 14.723 -0.871 1.00 0.00 C ATOM 952 CG HIS A 57 -11.438 14.140 0.506 1.00 0.00 C ATOM 953 ND1 HIS A 57 -12.332 13.149 0.849 1.00 0.00 N ATOM 954 CD2 HIS A 57 -10.726 14.411 1.626 1.00 0.00 C ATOM 955 CE1 HIS A 57 -12.168 12.833 2.122 1.00 0.00 C ATOM 956 NE2 HIS A 57 -11.200 13.585 2.615 1.00 0.00 N ATOM 0 H HIS A 57 -8.711 14.365 -1.358 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.193 12.864 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.841 15.677 -0.825 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.377 14.932 -1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.935 15.140 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.729 12.088 2.666 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.859 13.556 3.576 1.00 0.00 H new ATOM 964 N PHE A 58 -10.506 13.642 -4.299 1.00 0.00 N ATOM 965 CA PHE A 58 -10.401 14.143 -5.665 1.00 0.00 C ATOM 966 C PHE A 58 -11.729 14.018 -6.401 1.00 0.00 C ATOM 967 O PHE A 58 -12.278 12.925 -6.529 1.00 0.00 O ATOM 968 CB PHE A 58 -9.305 13.397 -6.426 1.00 0.00 C ATOM 969 CG PHE A 58 -9.153 13.835 -7.854 1.00 0.00 C ATOM 970 CD1 PHE A 58 -8.579 15.061 -8.161 1.00 0.00 C ATOM 971 CD2 PHE A 58 -9.581 13.025 -8.894 1.00 0.00 C ATOM 972 CE1 PHE A 58 -8.439 15.465 -9.475 1.00 0.00 C ATOM 973 CE2 PHE A 58 -9.441 13.425 -10.208 1.00 0.00 C ATOM 974 CZ PHE A 58 -8.870 14.649 -10.499 1.00 0.00 C ATOM 0 H PHE A 58 -10.422 12.629 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.139 15.200 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.356 13.539 -5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.523 12.329 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.238 15.706 -7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.030 12.068 -8.674 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.991 16.422 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.778 12.782 -11.008 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.762 14.966 -11.526 1.00 0.00 H new ATOM 984 N SER A 59 -12.242 15.145 -6.884 1.00 0.00 N ATOM 985 CA SER A 59 -13.490 15.159 -7.637 1.00 0.00 C ATOM 986 C SER A 59 -14.628 14.550 -6.828 1.00 0.00 C ATOM 987 O SER A 59 -15.512 13.895 -7.380 1.00 0.00 O ATOM 988 CB SER A 59 -13.316 14.416 -8.947 1.00 0.00 C ATOM 989 OG SER A 59 -12.340 15.006 -9.762 1.00 0.00 O ATOM 0 H SER A 59 -11.811 16.062 -6.767 1.00 0.00 H new ATOM 0 HA SER A 59 -13.748 16.197 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.040 13.381 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.267 14.393 -9.479 1.00 0.00 H new ATOM 0 HG SER A 59 -11.531 14.452 -9.757 1.00 0.00 H new ATOM 995 N GLY A 60 -14.600 14.770 -5.519 1.00 0.00 N ATOM 996 CA GLY A 60 -15.670 14.309 -4.642 1.00 0.00 C ATOM 997 C GLY A 60 -15.579 12.808 -4.402 1.00 0.00 C ATOM 998 O GLY A 60 -16.530 12.185 -3.929 1.00 0.00 O ATOM 0 H GLY A 60 -13.847 15.265 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.615 14.836 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.636 14.551 -5.085 1.00 0.00 H new ATOM 1002 N ARG A 61 -14.426 12.230 -4.728 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.206 10.801 -4.542 1.00 0.00 C ATOM 1004 C ARG A 61 -13.093 10.544 -3.536 1.00 0.00 C ATOM 1005 O ARG A 61 -12.100 11.270 -3.494 1.00 0.00 O ATOM 1006 CB ARG A 61 -13.946 10.084 -5.859 1.00 0.00 C ATOM 1007 CG ARG A 61 -15.120 10.071 -6.824 1.00 0.00 C ATOM 1008 CD ARG A 61 -14.855 9.362 -8.102 1.00 0.00 C ATOM 1009 NE ARG A 61 -15.982 9.333 -9.019 1.00 0.00 N ATOM 1010 CZ ARG A 61 -15.948 8.797 -10.255 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -14.840 8.278 -10.740 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -17.054 8.827 -10.979 1.00 0.00 N ATOM 0 H ARG A 61 -13.630 12.731 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.127 10.384 -4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.096 10.556 -6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.659 9.054 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.973 9.603 -6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.404 11.100 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.010 9.839 -8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.557 8.337 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.860 9.747 -8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.989 8.277 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.833 7.877 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.902 9.248 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.060 8.429 -11.918 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.262 9.503 -2.727 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.294 9.175 -1.686 1.00 0.00 C ATOM 1028 C LYS A 62 -11.246 8.195 -2.198 1.00 0.00 C ATOM 1029 O LYS A 62 -11.581 7.142 -2.742 1.00 0.00 O ATOM 1030 CB LYS A 62 -13.001 8.597 -0.460 1.00 0.00 C ATOM 1031 CG LYS A 62 -13.882 9.590 0.286 1.00 0.00 C ATOM 1032 CD LYS A 62 -14.571 8.936 1.474 1.00 0.00 C ATOM 1033 CE LYS A 62 -15.451 9.928 2.220 1.00 0.00 C ATOM 1034 NZ LYS A 62 -16.149 9.296 3.372 1.00 0.00 N ATOM 0 H LYS A 62 -14.061 8.871 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.787 10.096 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.613 7.752 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.250 8.209 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.277 10.429 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.632 9.996 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.176 8.098 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.821 8.530 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.841 10.758 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.188 10.346 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.738 10.006 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.752 8.521 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.446 8.919 4.040 1.00 0.00 H new ATOM 1048 N TYR A 63 -9.978 8.547 -2.022 1.00 0.00 N ATOM 1049 CA TYR A 63 -8.879 7.658 -2.382 1.00 0.00 C ATOM 1050 C TYR A 63 -7.918 7.472 -1.215 1.00 0.00 C ATOM 1051 O TYR A 63 -7.698 8.390 -0.427 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.128 8.201 -3.600 1.00 0.00 C ATOM 1053 CG TYR A 63 -8.990 8.356 -4.832 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -9.172 7.295 -5.708 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -9.615 9.560 -5.119 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -9.958 7.429 -6.837 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -10.403 9.704 -6.244 1.00 0.00 C ATOM 1058 CZ TYR A 63 -10.572 8.637 -7.102 1.00 0.00 C ATOM 1059 OH TYR A 63 -11.354 8.776 -8.224 1.00 0.00 O ATOM 0 H TYR A 63 -9.685 9.443 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.304 6.686 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.696 9.169 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.298 7.533 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.692 6.349 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.483 10.399 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.091 6.593 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.885 10.648 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.713 9.687 -8.262 1.00 0.00 H new ATOM 1069 N ARG A 64 -7.349 6.275 -1.110 1.00 0.00 N ATOM 1070 CA ARG A 64 -6.379 5.977 -0.063 1.00 0.00 C ATOM 1071 C ARG A 64 -4.990 5.748 -0.645 1.00 0.00 C ATOM 1072 O ARG A 64 -4.753 4.756 -1.335 1.00 0.00 O ATOM 1073 CB ARG A 64 -6.817 4.810 0.808 1.00 0.00 C ATOM 1074 CG ARG A 64 -8.048 5.074 1.660 1.00 0.00 C ATOM 1075 CD ARG A 64 -8.544 3.889 2.405 1.00 0.00 C ATOM 1076 NE ARG A 64 -9.553 4.186 3.409 1.00 0.00 N ATOM 1077 CZ ARG A 64 -10.870 4.313 3.156 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -11.337 4.206 1.933 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -11.679 4.571 4.170 1.00 0.00 N ATOM 0 H ARG A 64 -7.544 5.495 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.328 6.853 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.014 3.951 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.991 4.535 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.819 5.866 2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.847 5.445 1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.958 3.175 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.699 3.401 2.891 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.242 4.307 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.700 4.024 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.337 4.305 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.301 4.668 5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.681 4.673 4.010 1.00 0.00 H new ATOM 1093 N GLU A 65 -4.077 6.671 -0.365 1.00 0.00 N ATOM 1094 CA GLU A 65 -2.712 6.575 -0.869 1.00 0.00 C ATOM 1095 C GLU A 65 -1.784 5.958 0.171 1.00 0.00 C ATOM 1096 O GLU A 65 -1.572 6.527 1.241 1.00 0.00 O ATOM 1097 CB GLU A 65 -2.195 7.954 -1.283 1.00 0.00 C ATOM 1098 CG GLU A 65 -2.871 8.534 -2.517 1.00 0.00 C ATOM 1099 CD GLU A 65 -2.273 9.860 -2.896 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -1.406 10.322 -2.193 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -2.600 10.360 -3.946 1.00 0.00 O ATOM 0 H GLU A 65 -4.257 7.495 0.209 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.724 5.925 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.331 8.645 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.123 7.886 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.772 7.837 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.937 8.655 -2.327 1.00 0.00 H new ATOM 1108 N TYR A 66 -1.233 4.793 -0.152 1.00 0.00 N ATOM 1109 CA TYR A 66 -0.347 4.085 0.764 1.00 0.00 C ATOM 1110 C TYR A 66 1.113 4.272 0.372 1.00 0.00 C ATOM 1111 O TYR A 66 1.455 4.257 -0.810 1.00 0.00 O ATOM 1112 CB TYR A 66 -0.694 2.595 0.801 1.00 0.00 C ATOM 1113 CG TYR A 66 -2.033 2.293 1.436 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.209 2.408 0.709 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -2.117 1.891 2.761 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -4.435 2.134 1.286 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -3.336 1.613 3.346 1.00 0.00 C ATOM 1118 CZ TYR A 66 -4.494 1.736 2.605 1.00 0.00 C ATOM 1119 OH TYR A 66 -5.711 1.460 3.184 1.00 0.00 O ATOM 0 H TYR A 66 -1.385 4.319 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.490 4.507 1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.690 2.206 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.085 2.064 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.166 2.717 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.214 1.794 3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.342 2.231 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.383 1.301 4.379 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.671 0.589 3.631 1.00 0.00 H new ATOM 1129 N CYS A 67 1.970 4.448 1.372 1.00 0.00 N ATOM 1130 CA CYS A 67 3.366 4.793 1.131 1.00 0.00 C ATOM 1131 C CYS A 67 4.268 4.245 2.231 1.00 0.00 C ATOM 1132 O CYS A 67 3.857 4.138 3.387 1.00 0.00 O ATOM 1133 CB CYS A 67 3.347 6.322 1.164 1.00 0.00 C ATOM 1134 SG CYS A 67 4.947 7.099 0.832 1.00 0.00 S ATOM 0 H CYS A 67 1.722 4.357 2.357 1.00 0.00 H new ATOM 0 HA CYS A 67 3.754 4.379 0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.624 6.680 0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 67 2.995 6.647 2.143 1.00 0.00 H new ATOM 0 HG CYS A 67 5.592 6.401 -0.055 1.00 0.00 H new ATOM 1140 N LEU A 68 5.496 3.897 1.865 1.00 0.00 N ATOM 1141 CA LEU A 68 6.497 3.476 2.838 1.00 0.00 C ATOM 1142 C LEU A 68 7.377 4.642 3.263 1.00 0.00 C ATOM 1143 O LEU A 68 7.940 4.643 4.358 1.00 0.00 O ATOM 1144 CB LEU A 68 7.352 2.341 2.261 1.00 0.00 C ATOM 1145 CG LEU A 68 6.626 1.002 2.083 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.534 0.007 1.371 1.00 0.00 C ATOM 1147 CD2 LEU A 68 6.200 0.468 3.443 1.00 0.00 C ATOM 0 H LEU A 68 5.823 3.898 0.899 1.00 0.00 H new ATOM 0 HA LEU A 68 5.976 3.111 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.741 2.657 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.211 2.186 2.914 1.00 0.00 H new ATOM 0 HG LEU A 68 5.736 1.149 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.010 -0.941 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.807 0.400 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.436 -0.150 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.684 -0.484 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.081 0.322 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.530 1.183 3.921 1.00 0.00 H new