USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 690 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 MET CE :methyl -138:sc= 0 (180deg=-0.953) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.03) USER MOD Single : A 17 ASN : amide:sc= -1.01 K(o=-1,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot 101:sc= -0.417 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.407 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -7.57! C(o=-7.6!,f=-6.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00275 USER MOD Single : A 59 ASN : amide:sc= -0.741 K(o=-0.74,f=-1.8!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -2.12! USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0531 K(o=-0.053,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.359 9.113 -13.958 1.00 0.00 N ATOM 60 CA GLY A 7 6.511 8.255 -13.739 1.00 0.00 C ATOM 61 C GLY A 7 6.391 7.505 -12.410 1.00 0.00 C ATOM 62 O GLY A 7 7.073 6.505 -12.194 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.598 7.540 -14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.421 8.855 -13.742 1.00 0.00 H new ATOM 66 N LEU A 8 5.518 8.018 -11.555 1.00 0.00 N ATOM 67 CA LEU A 8 5.300 7.409 -10.254 1.00 0.00 C ATOM 68 C LEU A 8 5.013 5.918 -10.435 1.00 0.00 C ATOM 69 O LEU A 8 5.589 5.082 -9.739 1.00 0.00 O ATOM 70 CB LEU A 8 4.206 8.157 -9.489 1.00 0.00 C ATOM 71 CG LEU A 8 4.274 9.685 -9.544 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.186 10.314 -8.672 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.670 10.185 -9.168 1.00 0.00 C ATOM 0 H LEU A 8 4.954 8.848 -11.738 1.00 0.00 H new ATOM 0 HA LEU A 8 6.198 7.489 -9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.238 7.842 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.245 7.849 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 8 4.085 9.999 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.257 11.400 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.206 9.995 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.319 9.996 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.691 11.274 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.912 9.861 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.402 9.777 -9.865 1.00 0.00 H new ATOM 85 N ARG A 9 4.124 5.628 -11.374 1.00 0.00 N ATOM 86 CA ARG A 9 3.754 4.251 -11.655 1.00 0.00 C ATOM 87 C ARG A 9 4.983 3.344 -11.571 1.00 0.00 C ATOM 88 O ARG A 9 5.024 2.422 -10.758 1.00 0.00 O ATOM 89 CB ARG A 9 3.128 4.123 -13.045 1.00 0.00 C ATOM 90 CG ARG A 9 1.865 4.979 -13.159 1.00 0.00 C ATOM 91 CD ARG A 9 0.821 4.301 -14.048 1.00 0.00 C ATOM 92 NE ARG A 9 0.759 4.980 -15.362 1.00 0.00 N ATOM 93 CZ ARG A 9 1.631 4.770 -16.358 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.637 3.900 -16.195 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.497 5.430 -17.516 1.00 0.00 N ATOM 0 H ARG A 9 3.649 6.323 -11.950 1.00 0.00 H new ATOM 0 HA ARG A 9 3.021 3.945 -10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.849 4.430 -13.802 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.883 3.079 -13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.447 5.150 -12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.119 5.956 -13.571 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.074 3.250 -14.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.156 4.334 -13.566 1.00 0.00 H new ATOM 0 HE ARG A 9 0.006 5.649 -15.519 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.739 3.398 -15.313 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.301 3.740 -16.953 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.731 6.092 -17.640 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.161 5.270 -18.274 1.00 0.00 H new ATOM 109 N LYS A 10 5.955 3.637 -12.423 1.00 0.00 N ATOM 110 CA LYS A 10 7.182 2.859 -12.456 1.00 0.00 C ATOM 111 C LYS A 10 7.776 2.793 -11.047 1.00 0.00 C ATOM 112 O LYS A 10 8.159 1.722 -10.581 1.00 0.00 O ATOM 113 CB LYS A 10 8.144 3.420 -13.504 1.00 0.00 C ATOM 114 CG LYS A 10 7.574 3.257 -14.915 1.00 0.00 C ATOM 115 CD LYS A 10 7.782 1.831 -15.428 1.00 0.00 C ATOM 116 CE LYS A 10 9.231 1.612 -15.868 1.00 0.00 C ATOM 117 NZ LYS A 10 9.332 1.621 -17.345 1.00 0.00 N ATOM 0 H LYS A 10 5.918 4.403 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 10 6.976 1.834 -12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.331 4.475 -13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.103 2.907 -13.434 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.510 3.495 -14.911 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.056 3.964 -15.590 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.524 1.118 -14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.111 1.641 -16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.866 2.393 -15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.596 0.662 -15.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.322 1.471 -17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.741 0.860 -17.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.004 2.538 -17.710 1.00 0.00 H new ATOM 131 N GLN A 11 7.835 3.953 -10.410 1.00 0.00 N ATOM 132 CA GLN A 11 8.376 4.041 -9.064 1.00 0.00 C ATOM 133 C GLN A 11 7.595 3.129 -8.117 1.00 0.00 C ATOM 134 O GLN A 11 8.160 2.208 -7.529 1.00 0.00 O ATOM 135 CB GLN A 11 8.369 5.487 -8.564 1.00 0.00 C ATOM 136 CG GLN A 11 8.850 6.447 -9.653 1.00 0.00 C ATOM 137 CD GLN A 11 9.610 7.629 -9.046 1.00 0.00 C ATOM 138 OE1 GLN A 11 10.651 7.479 -8.429 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.032 8.808 -9.256 1.00 0.00 N ATOM 0 H GLN A 11 7.517 4.840 -10.801 1.00 0.00 H new ATOM 0 HA GLN A 11 9.412 3.704 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.362 5.762 -8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.011 5.575 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.496 5.915 -10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.996 6.813 -10.223 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.160 8.862 -9.782 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.461 9.658 -8.891 1.00 0.00 H new ATOM 148 N VAL A 12 6.307 3.416 -7.998 1.00 0.00 N ATOM 149 CA VAL A 12 5.442 2.633 -7.133 1.00 0.00 C ATOM 150 C VAL A 12 5.736 1.145 -7.336 1.00 0.00 C ATOM 151 O VAL A 12 5.958 0.415 -6.372 1.00 0.00 O ATOM 152 CB VAL A 12 3.978 2.994 -7.390 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.040 2.080 -6.598 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.711 4.465 -7.069 1.00 0.00 C ATOM 0 H VAL A 12 5.842 4.181 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 12 5.640 2.863 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 12 3.777 2.841 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.005 2.358 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.202 1.045 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.244 2.185 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.663 4.695 -7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.939 4.656 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.341 5.095 -7.697 1.00 0.00 H new ATOM 164 N GLU A 13 5.728 0.740 -8.598 1.00 0.00 N ATOM 165 CA GLU A 13 5.990 -0.647 -8.940 1.00 0.00 C ATOM 166 C GLU A 13 7.210 -1.161 -8.173 1.00 0.00 C ATOM 167 O GLU A 13 7.132 -2.178 -7.485 1.00 0.00 O ATOM 168 CB GLU A 13 6.182 -0.813 -10.449 1.00 0.00 C ATOM 169 CG GLU A 13 4.928 -0.383 -11.212 1.00 0.00 C ATOM 170 CD GLU A 13 4.411 -1.516 -12.101 1.00 0.00 C ATOM 171 OE1 GLU A 13 4.497 -2.678 -11.647 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.942 -1.195 -13.214 1.00 0.00 O ATOM 0 H GLU A 13 5.544 1.349 -9.396 1.00 0.00 H new ATOM 0 HA GLU A 13 5.124 -1.242 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.034 -0.218 -10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.412 -1.854 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.152 -0.087 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.152 0.491 -11.824 1.00 0.00 H new ATOM 179 N LEU A 14 8.309 -0.436 -8.317 1.00 0.00 N ATOM 180 CA LEU A 14 9.543 -0.806 -7.645 1.00 0.00 C ATOM 181 C LEU A 14 9.282 -0.940 -6.144 1.00 0.00 C ATOM 182 O LEU A 14 9.737 -1.894 -5.514 1.00 0.00 O ATOM 183 CB LEU A 14 10.658 0.184 -7.989 1.00 0.00 C ATOM 184 CG LEU A 14 12.041 -0.137 -7.418 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.496 -1.535 -7.838 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.057 0.939 -7.806 1.00 0.00 C ATOM 0 H LEU A 14 8.371 0.406 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 14 9.891 -1.778 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.740 0.245 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.361 1.172 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 14 11.971 -0.135 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.482 -1.738 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.786 -2.275 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.546 -1.590 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.031 0.687 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.132 0.994 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.733 1.903 -7.415 1.00 0.00 H new ATOM 198 N LEU A 15 8.550 0.029 -5.614 1.00 0.00 N ATOM 199 CA LEU A 15 8.223 0.031 -4.198 1.00 0.00 C ATOM 200 C LEU A 15 7.483 -1.262 -3.849 1.00 0.00 C ATOM 201 O LEU A 15 7.989 -2.083 -3.085 1.00 0.00 O ATOM 202 CB LEU A 15 7.453 1.300 -3.828 1.00 0.00 C ATOM 203 CG LEU A 15 6.818 1.317 -2.436 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.888 1.239 -1.345 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.910 2.536 -2.262 1.00 0.00 C ATOM 0 H LEU A 15 8.174 0.818 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 15 9.132 0.051 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.132 2.149 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.666 1.452 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 15 6.190 0.432 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.410 1.253 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.457 0.316 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.560 2.093 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.472 2.524 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.495 3.447 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.116 2.507 -3.008 1.00 0.00 H new ATOM 217 N PHE A 16 6.298 -1.402 -4.424 1.00 0.00 N ATOM 218 CA PHE A 16 5.484 -2.581 -4.183 1.00 0.00 C ATOM 219 C PHE A 16 6.274 -3.860 -4.466 1.00 0.00 C ATOM 220 O PHE A 16 6.310 -4.768 -3.637 1.00 0.00 O ATOM 221 CB PHE A 16 4.294 -2.507 -5.142 1.00 0.00 C ATOM 222 CG PHE A 16 3.252 -1.454 -4.761 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.527 -0.548 -3.785 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.050 -1.425 -5.398 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.559 0.430 -3.431 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.083 -0.447 -5.044 1.00 0.00 C ATOM 227 CZ PHE A 16 1.358 0.459 -4.068 1.00 0.00 C ATOM 0 H PHE A 16 5.882 -0.718 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 16 5.165 -2.606 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.662 -2.293 -6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.811 -3.483 -5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.481 -0.572 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.831 -2.145 -6.172 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.777 1.150 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.129 -0.423 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.622 1.202 -3.799 1.00 0.00 H new ATOM 237 N ASN A 17 6.887 -3.891 -5.640 1.00 0.00 N ATOM 238 CA ASN A 17 7.674 -5.044 -6.044 1.00 0.00 C ATOM 239 C ASN A 17 8.780 -5.287 -5.015 1.00 0.00 C ATOM 240 O ASN A 17 8.986 -6.416 -4.574 1.00 0.00 O ATOM 241 CB ASN A 17 8.336 -4.811 -7.403 1.00 0.00 C ATOM 242 CG ASN A 17 7.312 -4.911 -8.536 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.263 -4.288 -8.516 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.673 -5.727 -9.522 1.00 0.00 N ATOM 0 H ASN A 17 6.855 -3.136 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 17 7.005 -5.902 -6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.806 -3.828 -7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.127 -5.545 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.057 -5.861 -10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.566 -6.219 -9.476 1.00 0.00 H new ATOM 251 N THR A 18 9.462 -4.207 -4.661 1.00 0.00 N ATOM 252 CA THR A 18 10.542 -4.288 -3.693 1.00 0.00 C ATOM 253 C THR A 18 10.016 -4.800 -2.350 1.00 0.00 C ATOM 254 O THR A 18 10.504 -5.801 -1.829 1.00 0.00 O ATOM 255 CB THR A 18 11.200 -2.910 -3.602 1.00 0.00 C ATOM 256 OG1 THR A 18 11.872 -2.764 -4.850 1.00 0.00 O ATOM 257 CG2 THR A 18 12.325 -2.865 -2.566 1.00 0.00 C ATOM 0 H THR A 18 9.287 -3.271 -5.028 1.00 0.00 H new ATOM 0 HA THR A 18 11.300 -5.006 -4.005 1.00 0.00 H new ATOM 0 HB THR A 18 10.446 -2.164 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.337 -2.198 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.758 -1.865 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.924 -3.111 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.096 -3.587 -2.834 1.00 0.00 H new ATOM 265 N ARG A 19 9.028 -4.088 -1.828 1.00 0.00 N ATOM 266 CA ARG A 19 8.431 -4.458 -0.556 1.00 0.00 C ATOM 267 C ARG A 19 8.125 -5.956 -0.528 1.00 0.00 C ATOM 268 O ARG A 19 8.451 -6.643 0.439 1.00 0.00 O ATOM 269 CB ARG A 19 7.140 -3.676 -0.306 1.00 0.00 C ATOM 270 CG ARG A 19 7.432 -2.190 -0.086 1.00 0.00 C ATOM 271 CD ARG A 19 7.977 -1.941 1.322 1.00 0.00 C ATOM 272 NE ARG A 19 8.629 -0.614 1.384 1.00 0.00 N ATOM 273 CZ ARG A 19 9.807 -0.328 0.811 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.467 -1.274 0.130 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.323 0.903 0.920 1.00 0.00 N ATOM 0 H ARG A 19 8.626 -3.257 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 19 9.147 -4.216 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.468 -3.796 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.628 -4.082 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.154 -1.844 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.521 -1.611 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.166 -1.992 2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.692 -2.720 1.587 1.00 0.00 H new ATOM 0 HE ARG A 19 8.153 0.129 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.073 -2.211 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.363 -1.057 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.820 1.623 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.219 1.121 0.484 1.00 0.00 H new ATOM 289 N TYR A 20 7.501 -6.420 -1.601 1.00 0.00 N ATOM 290 CA TYR A 20 7.148 -7.825 -1.712 1.00 0.00 C ATOM 291 C TYR A 20 8.355 -8.719 -1.421 1.00 0.00 C ATOM 292 O TYR A 20 8.245 -9.693 -0.677 1.00 0.00 O ATOM 293 CB TYR A 20 6.711 -8.037 -3.163 1.00 0.00 C ATOM 294 CG TYR A 20 6.064 -9.398 -3.426 1.00 0.00 C ATOM 295 CD1 TYR A 20 5.017 -9.829 -2.637 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.528 -10.196 -4.452 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.408 -11.110 -2.885 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.919 -11.477 -4.700 1.00 0.00 C ATOM 299 CZ TYR A 20 4.889 -11.871 -3.904 1.00 0.00 C ATOM 300 OH TYR A 20 4.315 -13.081 -4.138 1.00 0.00 O ATOM 0 H TYR A 20 7.231 -5.848 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 20 6.366 -8.081 -0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.006 -7.252 -3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.579 -7.927 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.654 -9.205 -1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.348 -9.860 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.588 -11.459 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.272 -12.111 -5.500 1.00 0.00 H new ATOM 0 HH TYR A 20 4.760 -13.513 -4.897 1.00 0.00 H new ATOM 310 N ALA A 21 9.478 -8.357 -2.022 1.00 0.00 N ATOM 311 CA ALA A 21 10.705 -9.114 -1.836 1.00 0.00 C ATOM 312 C ALA A 21 10.909 -9.386 -0.344 1.00 0.00 C ATOM 313 O ALA A 21 11.168 -10.521 0.053 1.00 0.00 O ATOM 314 CB ALA A 21 11.876 -8.349 -2.455 1.00 0.00 C ATOM 0 H ALA A 21 9.565 -7.549 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 21 10.642 -10.078 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.796 -8.917 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.695 -8.207 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.972 -7.377 -1.971 1.00 0.00 H new ATOM 320 N LYS A 22 10.787 -8.326 0.440 1.00 0.00 N ATOM 321 CA LYS A 22 10.955 -8.436 1.879 1.00 0.00 C ATOM 322 C LYS A 22 9.934 -9.432 2.433 1.00 0.00 C ATOM 323 O LYS A 22 10.186 -10.087 3.443 1.00 0.00 O ATOM 324 CB LYS A 22 10.886 -7.055 2.534 1.00 0.00 C ATOM 325 CG LYS A 22 11.376 -7.110 3.983 1.00 0.00 C ATOM 326 CD LYS A 22 11.418 -5.711 4.601 1.00 0.00 C ATOM 327 CE LYS A 22 11.591 -5.787 6.119 1.00 0.00 C ATOM 328 NZ LYS A 22 12.502 -4.720 6.591 1.00 0.00 N ATOM 0 H LYS A 22 10.574 -7.386 0.106 1.00 0.00 H new ATOM 0 HA LYS A 22 11.944 -8.827 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.493 -6.349 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.861 -6.687 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.717 -7.751 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.370 -7.557 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.240 -5.142 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.498 -5.176 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.621 -5.688 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.989 -6.763 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.608 -4.786 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.432 -4.832 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.107 -3.791 6.342 1.00 0.00 H new ATOM 342 N ALA A 23 8.804 -9.514 1.747 1.00 0.00 N ATOM 343 CA ALA A 23 7.744 -10.419 2.158 1.00 0.00 C ATOM 344 C ALA A 23 8.138 -11.854 1.804 1.00 0.00 C ATOM 345 O ALA A 23 7.522 -12.807 2.280 1.00 0.00 O ATOM 346 CB ALA A 23 6.428 -9.996 1.501 1.00 0.00 C ATOM 0 H ALA A 23 8.599 -8.969 0.910 1.00 0.00 H new ATOM 0 HA ALA A 23 7.598 -10.374 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.633 -10.675 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.178 -8.981 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.535 -10.031 0.417 1.00 0.00 H new ATOM 352 N ILE A 24 9.162 -11.964 0.970 1.00 0.00 N ATOM 353 CA ILE A 24 9.646 -13.267 0.547 1.00 0.00 C ATOM 354 C ILE A 24 11.117 -13.413 0.941 1.00 0.00 C ATOM 355 O ILE A 24 11.758 -14.407 0.605 1.00 0.00 O ATOM 356 CB ILE A 24 9.386 -13.475 -0.947 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.904 -12.290 -1.764 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.905 -13.750 -1.212 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.845 -12.590 -3.263 1.00 0.00 C ATOM 0 H ILE A 24 9.670 -11.172 0.576 1.00 0.00 H new ATOM 0 HA ILE A 24 9.099 -14.060 1.057 1.00 0.00 H new ATOM 0 HB ILE A 24 9.940 -14.356 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.309 -11.404 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.931 -12.065 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.747 -13.894 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.600 -14.649 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.311 -12.903 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.219 -11.731 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.460 -13.462 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.814 -12.790 -3.554 1.00 0.00 H new ATOM 371 N GLY A 25 11.610 -12.406 1.648 1.00 0.00 N ATOM 372 CA GLY A 25 12.994 -12.410 2.091 1.00 0.00 C ATOM 373 C GLY A 25 13.948 -12.206 0.913 1.00 0.00 C ATOM 374 O GLY A 25 15.070 -12.710 0.923 1.00 0.00 O ATOM 0 H GLY A 25 11.076 -11.582 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.146 -11.621 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.218 -13.355 2.586 1.00 0.00 H new ATOM 378 N ILE A 26 13.467 -11.466 -0.075 1.00 0.00 N ATOM 379 CA ILE A 26 14.263 -11.189 -1.259 1.00 0.00 C ATOM 380 C ILE A 26 14.822 -9.767 -1.171 1.00 0.00 C ATOM 381 O ILE A 26 14.179 -8.877 -0.618 1.00 0.00 O ATOM 382 CB ILE A 26 13.447 -11.452 -2.526 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.229 -12.951 -2.737 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.098 -10.791 -3.744 1.00 0.00 C ATOM 385 CD1 ILE A 26 13.078 -13.280 -4.223 1.00 0.00 C ATOM 0 H ILE A 26 12.536 -11.050 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 26 15.117 -11.865 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 26 12.464 -10.998 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 26 14.070 -13.506 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.338 -13.272 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.498 -10.993 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.159 -9.714 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.101 -11.194 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.924 -14.352 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.221 -12.742 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.981 -12.980 -4.756 1.00 0.00 H new ATOM 397 N SER A 27 16.014 -9.599 -1.724 1.00 0.00 N ATOM 398 CA SER A 27 16.667 -8.301 -1.716 1.00 0.00 C ATOM 399 C SER A 27 16.223 -7.484 -2.930 1.00 0.00 C ATOM 400 O SER A 27 16.089 -6.264 -2.847 1.00 0.00 O ATOM 401 CB SER A 27 18.189 -8.451 -1.704 1.00 0.00 C ATOM 402 OG SER A 27 18.733 -8.272 -0.399 1.00 0.00 O ATOM 0 H SER A 27 16.545 -10.341 -2.181 1.00 0.00 H new ATOM 0 HA SER A 27 16.374 -7.776 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.459 -9.439 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.630 -7.722 -2.384 1.00 0.00 H new ATOM 0 HG SER A 27 19.707 -8.377 -0.433 1.00 0.00 H new ATOM 408 N GLU A 28 16.007 -8.189 -4.031 1.00 0.00 N ATOM 409 CA GLU A 28 15.581 -7.544 -5.261 1.00 0.00 C ATOM 410 C GLU A 28 14.055 -7.458 -5.315 1.00 0.00 C ATOM 411 O GLU A 28 13.364 -8.158 -4.576 1.00 0.00 O ATOM 412 CB GLU A 28 16.132 -8.279 -6.485 1.00 0.00 C ATOM 413 CG GLU A 28 17.507 -8.882 -6.190 1.00 0.00 C ATOM 414 CD GLU A 28 18.488 -7.807 -5.719 1.00 0.00 C ATOM 415 OE1 GLU A 28 18.373 -7.411 -4.538 1.00 0.00 O ATOM 416 OE2 GLU A 28 19.330 -7.404 -6.550 1.00 0.00 O ATOM 0 H GLU A 28 16.119 -9.201 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 28 15.983 -6.531 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.441 -9.068 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.206 -7.589 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 28 17.413 -9.654 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.895 -9.366 -7.086 1.00 0.00 H new ATOM 423 N PRO A 29 13.560 -6.571 -6.219 1.00 0.00 N ATOM 424 CA PRO A 29 12.128 -6.384 -6.378 1.00 0.00 C ATOM 425 C PRO A 29 11.503 -7.557 -7.136 1.00 0.00 C ATOM 426 O PRO A 29 12.063 -8.033 -8.123 1.00 0.00 O ATOM 427 CB PRO A 29 11.983 -5.060 -7.110 1.00 0.00 C ATOM 428 CG PRO A 29 13.337 -4.782 -7.742 1.00 0.00 C ATOM 429 CD PRO A 29 14.348 -5.725 -7.111 1.00 0.00 C ATOM 0 HA PRO A 29 11.599 -6.357 -5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.202 -5.117 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.702 -4.262 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.294 -4.935 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.629 -3.745 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.862 -6.318 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.113 -5.176 -6.562 1.00 0.00 H new ATOM 437 N VAL A 30 10.351 -7.991 -6.645 1.00 0.00 N ATOM 438 CA VAL A 30 9.644 -9.099 -7.263 1.00 0.00 C ATOM 439 C VAL A 30 8.226 -8.655 -7.626 1.00 0.00 C ATOM 440 O VAL A 30 7.759 -7.616 -7.162 1.00 0.00 O ATOM 441 CB VAL A 30 9.671 -10.318 -6.339 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.724 -11.409 -6.843 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.094 -10.856 -6.182 1.00 0.00 C ATOM 0 H VAL A 30 9.890 -7.595 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 30 10.137 -9.398 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 30 9.323 -10.001 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.762 -12.264 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.706 -11.020 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.028 -11.721 -7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.085 -11.722 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.482 -11.149 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.731 -10.081 -5.756 1.00 0.00 H new ATOM 453 N LYS A 31 7.579 -9.465 -8.452 1.00 0.00 N ATOM 454 CA LYS A 31 6.224 -9.168 -8.883 1.00 0.00 C ATOM 455 C LYS A 31 5.278 -9.277 -7.685 1.00 0.00 C ATOM 456 O LYS A 31 5.490 -10.098 -6.794 1.00 0.00 O ATOM 457 CB LYS A 31 5.828 -10.060 -10.061 1.00 0.00 C ATOM 458 CG LYS A 31 6.657 -9.726 -11.304 1.00 0.00 C ATOM 459 CD LYS A 31 6.089 -10.420 -12.544 1.00 0.00 C ATOM 460 CE LYS A 31 7.059 -11.477 -13.073 1.00 0.00 C ATOM 461 NZ LYS A 31 6.330 -12.713 -13.438 1.00 0.00 N ATOM 0 H LYS A 31 7.969 -10.327 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 31 6.157 -8.144 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.972 -11.107 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.768 -9.930 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.668 -8.647 -11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.691 -10.036 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.135 -10.887 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.892 -9.681 -13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.589 -11.090 -13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.810 -11.701 -12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.003 -13.420 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.844 -13.090 -12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.630 -12.498 -14.176 1.00 0.00 H new ATOM 475 N VAL A 32 4.254 -8.437 -7.702 1.00 0.00 N ATOM 476 CA VAL A 32 3.274 -8.428 -6.629 1.00 0.00 C ATOM 477 C VAL A 32 1.958 -9.016 -7.140 1.00 0.00 C ATOM 478 O VAL A 32 1.336 -8.461 -8.045 1.00 0.00 O ATOM 479 CB VAL A 32 3.120 -7.011 -6.073 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.754 -6.828 -5.409 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.252 -6.677 -5.099 1.00 0.00 C ATOM 0 H VAL A 32 4.081 -7.757 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 32 3.609 -9.053 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 32 3.182 -6.315 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.671 -5.812 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.967 -7.003 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.650 -7.538 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.118 -5.664 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.236 -7.382 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.209 -6.747 -5.616 1.00 0.00 H new ATOM 491 N PRO A 33 1.562 -10.161 -6.523 1.00 0.00 N ATOM 492 CA PRO A 33 0.330 -10.830 -6.906 1.00 0.00 C ATOM 493 C PRO A 33 -0.891 -10.079 -6.372 1.00 0.00 C ATOM 494 O PRO A 33 -1.613 -10.589 -5.517 1.00 0.00 O ATOM 495 CB PRO A 33 0.455 -12.237 -6.343 1.00 0.00 C ATOM 496 CG PRO A 33 1.534 -12.164 -5.274 1.00 0.00 C ATOM 497 CD PRO A 33 2.273 -10.846 -5.447 1.00 0.00 C ATOM 0 HA PRO A 33 0.185 -10.859 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.491 -12.574 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.726 -12.947 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.091 -12.226 -4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.223 -13.003 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.259 -10.261 -4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.319 -11.010 -5.705 1.00 0.00 H new ATOM 505 N TYR A 34 -1.084 -8.879 -6.899 1.00 0.00 N ATOM 506 CA TYR A 34 -2.206 -8.052 -6.487 1.00 0.00 C ATOM 507 C TYR A 34 -3.444 -8.907 -6.210 1.00 0.00 C ATOM 508 O TYR A 34 -3.978 -8.893 -5.102 1.00 0.00 O ATOM 509 CB TYR A 34 -2.497 -7.119 -7.663 1.00 0.00 C ATOM 510 CG TYR A 34 -1.394 -6.094 -7.932 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.702 -5.532 -6.878 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.090 -5.731 -9.229 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.336 -4.567 -7.132 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.051 -4.766 -9.482 1.00 0.00 C ATOM 515 CZ TYR A 34 0.610 -4.231 -8.421 1.00 0.00 C ATOM 516 OH TYR A 34 1.591 -3.320 -8.660 1.00 0.00 O ATOM 0 H TYR A 34 -0.482 -8.459 -7.608 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.967 -7.509 -5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.648 -7.719 -8.561 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.431 -6.591 -7.472 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.939 -5.816 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.631 -6.171 -10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.885 -4.120 -6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.197 -4.474 -10.492 1.00 0.00 H new ATOM 0 HH TYR A 34 1.677 -3.178 -9.626 1.00 0.00 H new ATOM 526 N SER A 35 -3.866 -9.631 -7.237 1.00 0.00 N ATOM 527 CA SER A 35 -5.032 -10.490 -7.119 1.00 0.00 C ATOM 528 C SER A 35 -5.019 -11.206 -5.767 1.00 0.00 C ATOM 529 O SER A 35 -5.972 -11.100 -4.996 1.00 0.00 O ATOM 530 CB SER A 35 -5.082 -11.509 -8.259 1.00 0.00 C ATOM 531 OG SER A 35 -3.783 -11.968 -8.623 1.00 0.00 O ATOM 0 H SER A 35 -3.421 -9.640 -8.155 1.00 0.00 H new ATOM 0 HA SER A 35 -5.924 -9.868 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.696 -12.358 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.564 -11.059 -9.127 1.00 0.00 H new ATOM 0 HG SER A 35 -3.858 -12.618 -9.353 1.00 0.00 H new ATOM 537 N LYS A 36 -3.929 -11.918 -5.521 1.00 0.00 N ATOM 538 CA LYS A 36 -3.780 -12.651 -4.275 1.00 0.00 C ATOM 539 C LYS A 36 -4.151 -11.739 -3.104 1.00 0.00 C ATOM 540 O LYS A 36 -4.841 -12.162 -2.178 1.00 0.00 O ATOM 541 CB LYS A 36 -2.376 -13.248 -4.169 1.00 0.00 C ATOM 542 CG LYS A 36 -2.107 -14.226 -5.316 1.00 0.00 C ATOM 543 CD LYS A 36 -3.022 -15.448 -5.219 1.00 0.00 C ATOM 544 CE LYS A 36 -3.788 -15.664 -6.526 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.589 -16.907 -6.457 1.00 0.00 N ATOM 0 H LYS A 36 -3.141 -12.003 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.464 -13.499 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.635 -12.449 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.267 -13.763 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.264 -13.724 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.065 -14.544 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.429 -16.334 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.727 -15.315 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.442 -14.813 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.088 -15.721 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.103 -17.039 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.958 -17.718 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.270 -16.838 -5.674 1.00 0.00 H new ATOM 559 N PHE A 37 -3.675 -10.505 -3.183 1.00 0.00 N ATOM 560 CA PHE A 37 -3.948 -9.530 -2.141 1.00 0.00 C ATOM 561 C PHE A 37 -5.362 -8.961 -2.279 1.00 0.00 C ATOM 562 O PHE A 37 -5.935 -8.471 -1.307 1.00 0.00 O ATOM 563 CB PHE A 37 -2.936 -8.396 -2.315 1.00 0.00 C ATOM 564 CG PHE A 37 -1.537 -8.724 -1.788 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.729 -9.568 -2.484 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.101 -8.171 -0.624 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.569 -9.873 -1.996 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.197 -8.476 -0.136 1.00 0.00 C ATOM 569 CZ PHE A 37 1.004 -9.320 -0.832 1.00 0.00 C ATOM 0 H PHE A 37 -3.102 -10.158 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.869 -10.000 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.865 -8.146 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.308 -7.509 -1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.075 -10.006 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.742 -7.500 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.210 -10.544 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.543 -8.037 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.991 -9.552 -0.460 1.00 0.00 H new ATOM 579 N LEU A 38 -5.883 -9.045 -3.494 1.00 0.00 N ATOM 580 CA LEU A 38 -7.219 -8.545 -3.771 1.00 0.00 C ATOM 581 C LEU A 38 -8.252 -9.546 -3.249 1.00 0.00 C ATOM 582 O LEU A 38 -9.087 -9.203 -2.413 1.00 0.00 O ATOM 583 CB LEU A 38 -7.372 -8.223 -5.259 1.00 0.00 C ATOM 584 CG LEU A 38 -6.468 -7.115 -5.801 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.478 -7.098 -7.331 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.850 -5.756 -5.211 1.00 0.00 C ATOM 0 H LEU A 38 -5.404 -9.452 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.391 -7.606 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.181 -9.132 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.409 -7.943 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.446 -7.326 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.827 -6.301 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.120 -8.056 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.494 -6.925 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.191 -4.986 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.882 -5.523 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.749 -5.789 -4.126 1.00 0.00 H new ATOM 598 N MET A 39 -8.162 -10.764 -3.764 1.00 0.00 N ATOM 599 CA MET A 39 -9.078 -11.817 -3.360 1.00 0.00 C ATOM 600 C MET A 39 -8.841 -12.222 -1.904 1.00 0.00 C ATOM 601 O MET A 39 -9.735 -12.759 -1.252 1.00 0.00 O ATOM 602 CB MET A 39 -8.888 -13.034 -4.267 1.00 0.00 C ATOM 603 CG MET A 39 -9.040 -12.650 -5.740 1.00 0.00 C ATOM 604 SD MET A 39 -9.106 -14.120 -6.751 1.00 0.00 S ATOM 605 CE MET A 39 -7.399 -14.635 -6.660 1.00 0.00 C ATOM 0 H MET A 39 -7.469 -11.045 -4.457 1.00 0.00 H new ATOM 0 HA MET A 39 -10.097 -11.441 -3.451 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.901 -13.466 -4.100 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.619 -13.801 -4.010 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.947 -12.062 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.203 -12.023 -6.049 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.065 -14.963 -7.644 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.784 -13.799 -6.328 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.305 -15.458 -5.952 1.00 0.00 H new ATOM 615 N HIS A 40 -7.632 -11.948 -1.437 1.00 0.00 N ATOM 616 CA HIS A 40 -7.266 -12.278 -0.070 1.00 0.00 C ATOM 617 C HIS A 40 -6.645 -11.053 0.604 1.00 0.00 C ATOM 618 O HIS A 40 -5.448 -11.035 0.888 1.00 0.00 O ATOM 619 CB HIS A 40 -6.349 -13.503 -0.033 1.00 0.00 C ATOM 620 CG HIS A 40 -6.769 -14.612 -0.968 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.611 -15.640 -0.581 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.455 -14.842 -2.275 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.789 -16.447 -1.616 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.071 -15.952 -2.665 1.00 0.00 N ATOM 0 H HIS A 40 -6.893 -11.501 -1.981 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.159 -12.548 0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.335 -13.193 -0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.319 -13.891 0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.814 -14.226 -2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.396 -17.340 -1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.016 -16.366 -3.596 1.00 0.00 H new ATOM 632 N PRO A 41 -7.509 -10.031 0.848 1.00 0.00 N ATOM 633 CA PRO A 41 -7.058 -8.805 1.484 1.00 0.00 C ATOM 634 C PRO A 41 -6.831 -9.016 2.982 1.00 0.00 C ATOM 635 O PRO A 41 -6.131 -8.233 3.623 1.00 0.00 O ATOM 636 CB PRO A 41 -8.145 -7.785 1.186 1.00 0.00 C ATOM 637 CG PRO A 41 -9.376 -8.588 0.797 1.00 0.00 C ATOM 638 CD PRO A 41 -8.933 -10.017 0.526 1.00 0.00 C ATOM 0 HA PRO A 41 -6.095 -8.464 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.345 -7.162 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.843 -7.117 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.117 -8.563 1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.847 -8.160 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.485 -10.726 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.107 -10.295 -0.514 1.00 0.00 H new ATOM 646 N GLU A 42 -7.435 -10.077 3.496 1.00 0.00 N ATOM 647 CA GLU A 42 -7.307 -10.400 4.907 1.00 0.00 C ATOM 648 C GLU A 42 -6.029 -11.204 5.153 1.00 0.00 C ATOM 649 O GLU A 42 -5.377 -11.041 6.184 1.00 0.00 O ATOM 650 CB GLU A 42 -8.537 -11.158 5.410 1.00 0.00 C ATOM 651 CG GLU A 42 -9.546 -10.203 6.050 1.00 0.00 C ATOM 652 CD GLU A 42 -9.670 -10.463 7.553 1.00 0.00 C ATOM 653 OE1 GLU A 42 -8.741 -10.049 8.279 1.00 0.00 O ATOM 654 OE2 GLU A 42 -10.692 -11.070 7.941 1.00 0.00 O ATOM 0 H GLU A 42 -8.014 -10.724 2.961 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.241 -9.468 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.007 -11.687 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.232 -11.911 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.235 -9.172 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.519 -10.325 5.575 1.00 0.00 H new ATOM 661 N GLU A 43 -5.708 -12.056 4.190 1.00 0.00 N ATOM 662 CA GLU A 43 -4.520 -12.886 4.289 1.00 0.00 C ATOM 663 C GLU A 43 -3.291 -12.114 3.804 1.00 0.00 C ATOM 664 O GLU A 43 -2.289 -12.026 4.512 1.00 0.00 O ATOM 665 CB GLU A 43 -4.694 -14.188 3.506 1.00 0.00 C ATOM 666 CG GLU A 43 -5.731 -15.095 4.173 1.00 0.00 C ATOM 667 CD GLU A 43 -7.099 -14.413 4.231 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.580 -14.012 3.149 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.633 -14.307 5.356 1.00 0.00 O ATOM 0 H GLU A 43 -6.251 -12.189 3.337 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.370 -13.148 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.004 -13.964 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.738 -14.708 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.810 -16.031 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.404 -15.348 5.181 1.00 0.00 H new ATOM 676 N LEU A 44 -3.409 -11.574 2.599 1.00 0.00 N ATOM 677 CA LEU A 44 -2.320 -10.813 2.011 1.00 0.00 C ATOM 678 C LEU A 44 -2.739 -9.346 1.886 1.00 0.00 C ATOM 679 O LEU A 44 -3.703 -9.030 1.191 1.00 0.00 O ATOM 680 CB LEU A 44 -1.880 -11.442 0.688 1.00 0.00 C ATOM 681 CG LEU A 44 -1.997 -12.965 0.597 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.980 -13.431 -0.860 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.910 -13.648 1.430 1.00 0.00 C ATOM 0 H LEU A 44 -4.242 -11.649 2.015 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.443 -10.841 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.473 -11.003 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.842 -11.166 0.505 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.959 -13.260 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.064 -14.517 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.818 -12.984 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.045 -13.124 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.015 -14.730 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.072 -13.350 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.011 -13.351 2.474 1.00 0.00 H new ATOM 695 N PHE A 45 -1.993 -8.491 2.569 1.00 0.00 N ATOM 696 CA PHE A 45 -2.274 -7.066 2.543 1.00 0.00 C ATOM 697 C PHE A 45 -0.990 -6.250 2.705 1.00 0.00 C ATOM 698 O PHE A 45 0.097 -6.814 2.827 1.00 0.00 O ATOM 699 CB PHE A 45 -3.203 -6.772 3.723 1.00 0.00 C ATOM 700 CG PHE A 45 -2.635 -7.188 5.081 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.739 -6.386 5.718 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.025 -8.359 5.652 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.212 -6.772 6.979 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.497 -8.745 6.912 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.602 -7.944 7.549 1.00 0.00 C ATOM 0 H PHE A 45 -1.194 -8.758 3.144 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.727 -6.794 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.421 -5.704 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.150 -7.287 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.429 -5.456 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.736 -8.995 5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.502 -6.135 7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.806 -9.675 7.365 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.201 -8.238 8.508 1.00 0.00 H new ATOM 715 N VAL A 46 -1.157 -4.936 2.701 1.00 0.00 N ATOM 716 CA VAL A 46 -0.024 -4.037 2.846 1.00 0.00 C ATOM 717 C VAL A 46 -0.290 -3.071 4.002 1.00 0.00 C ATOM 718 O VAL A 46 -1.407 -2.582 4.163 1.00 0.00 O ATOM 719 CB VAL A 46 0.249 -3.323 1.521 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.336 -2.259 1.686 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.624 -4.323 0.426 1.00 0.00 C ATOM 0 H VAL A 46 -2.060 -4.472 2.600 1.00 0.00 H new ATOM 0 HA VAL A 46 0.879 -4.596 3.091 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.669 -2.821 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.511 -1.766 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.014 -1.521 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.258 -2.731 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.813 -3.789 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.522 -4.866 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.195 -5.027 0.281 1.00 0.00 H new ATOM 731 N VAL A 47 0.755 -2.825 4.778 1.00 0.00 N ATOM 732 CA VAL A 47 0.649 -1.926 5.914 1.00 0.00 C ATOM 733 C VAL A 47 1.616 -0.755 5.726 1.00 0.00 C ATOM 734 O VAL A 47 2.638 -0.891 5.054 1.00 0.00 O ATOM 735 CB VAL A 47 0.889 -2.696 7.215 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.328 -3.549 7.579 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.152 -3.554 7.118 1.00 0.00 C ATOM 0 H VAL A 47 1.680 -3.233 4.642 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.356 -1.510 5.978 1.00 0.00 H new ATOM 0 HB VAL A 47 1.039 -1.969 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.132 -4.086 8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.198 -2.905 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.523 -4.265 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.300 -4.091 8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.044 -4.270 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.013 -2.914 6.927 1.00 0.00 H new ATOM 747 N GLY A 48 1.259 0.369 6.330 1.00 0.00 N ATOM 748 CA GLY A 48 2.082 1.562 6.237 1.00 0.00 C ATOM 749 C GLY A 48 1.510 2.544 5.213 1.00 0.00 C ATOM 750 O GLY A 48 1.741 3.749 5.306 1.00 0.00 O ATOM 0 H GLY A 48 0.411 0.478 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.143 2.043 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.098 1.286 5.954 1.00 0.00 H new ATOM 754 N LEU A 49 0.775 1.993 4.258 1.00 0.00 N ATOM 755 CA LEU A 49 0.168 2.805 3.218 1.00 0.00 C ATOM 756 C LEU A 49 -0.389 4.088 3.838 1.00 0.00 C ATOM 757 O LEU A 49 -0.702 4.122 5.027 1.00 0.00 O ATOM 758 CB LEU A 49 -0.873 1.994 2.443 1.00 0.00 C ATOM 759 CG LEU A 49 -0.327 1.073 1.350 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.369 0.029 0.942 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.173 1.882 0.151 1.00 0.00 C ATOM 0 H LEU A 49 0.586 0.993 4.183 1.00 0.00 H new ATOM 0 HA LEU A 49 0.916 3.104 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.435 1.388 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.579 2.688 1.987 1.00 0.00 H new ATOM 0 HG LEU A 49 0.529 0.533 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.956 -0.613 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.636 -0.577 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.259 0.532 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.556 1.204 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.649 2.466 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.969 2.554 0.472 1.00 0.00 H new ATOM 773 N PRO A 50 -0.499 5.140 2.982 1.00 0.00 N ATOM 774 CA PRO A 50 -1.013 6.421 3.433 1.00 0.00 C ATOM 775 C PRO A 50 -2.531 6.369 3.619 1.00 0.00 C ATOM 776 O PRO A 50 -3.138 5.305 3.501 1.00 0.00 O ATOM 777 CB PRO A 50 -0.579 7.416 2.369 1.00 0.00 C ATOM 778 CG PRO A 50 -0.245 6.590 1.138 1.00 0.00 C ATOM 779 CD PRO A 50 -0.139 5.136 1.567 1.00 0.00 C ATOM 0 HA PRO A 50 -0.625 6.709 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.373 8.131 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.286 7.990 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.017 6.708 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.692 6.927 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.812 4.503 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.870 4.751 1.416 1.00 0.00 H new ATOM 787 N GLU A 51 -3.101 7.530 3.907 1.00 0.00 N ATOM 788 CA GLU A 51 -4.536 7.630 4.110 1.00 0.00 C ATOM 789 C GLU A 51 -5.257 7.725 2.764 1.00 0.00 C ATOM 790 O GLU A 51 -4.783 8.394 1.847 1.00 0.00 O ATOM 791 CB GLU A 51 -4.882 8.823 5.003 1.00 0.00 C ATOM 792 CG GLU A 51 -4.353 10.128 4.404 1.00 0.00 C ATOM 793 CD GLU A 51 -3.150 10.646 5.194 1.00 0.00 C ATOM 794 OE1 GLU A 51 -3.303 10.800 6.425 1.00 0.00 O ATOM 795 OE2 GLU A 51 -2.105 10.877 4.550 1.00 0.00 O ATOM 0 H GLU A 51 -2.594 8.410 4.005 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.875 6.728 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.963 8.888 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.456 8.675 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.067 9.966 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.143 10.879 4.404 1.00 0.00 H new ATOM 802 N GLY A 52 -6.392 7.046 2.687 1.00 0.00 N ATOM 803 CA GLY A 52 -7.183 7.046 1.469 1.00 0.00 C ATOM 804 C GLY A 52 -6.443 6.335 0.334 1.00 0.00 C ATOM 805 O GLY A 52 -6.629 6.666 -0.836 1.00 0.00 O ATOM 0 H GLY A 52 -6.783 6.492 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.137 6.552 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.406 8.072 1.176 1.00 0.00 H new ATOM 809 N ILE A 53 -5.618 5.373 0.720 1.00 0.00 N ATOM 810 CA ILE A 53 -4.849 4.613 -0.250 1.00 0.00 C ATOM 811 C ILE A 53 -4.703 3.170 0.238 1.00 0.00 C ATOM 812 O ILE A 53 -4.541 2.929 1.433 1.00 0.00 O ATOM 813 CB ILE A 53 -3.513 5.304 -0.535 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.725 6.769 -0.919 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.717 4.542 -1.596 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.424 7.398 -1.423 1.00 0.00 C ATOM 0 H ILE A 53 -5.465 5.103 1.692 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.373 4.575 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.921 5.294 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.490 6.839 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.092 7.325 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.772 5.054 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.519 3.529 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.292 4.499 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.603 8.440 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.668 7.348 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.073 6.854 -2.300 1.00 0.00 H new ATOM 828 N SER A 54 -4.765 2.249 -0.712 1.00 0.00 N ATOM 829 CA SER A 54 -4.642 0.836 -0.394 1.00 0.00 C ATOM 830 C SER A 54 -3.714 0.152 -1.400 1.00 0.00 C ATOM 831 O SER A 54 -2.836 0.794 -1.976 1.00 0.00 O ATOM 832 CB SER A 54 -6.011 0.152 -0.386 1.00 0.00 C ATOM 833 OG SER A 54 -6.084 -0.883 0.591 1.00 0.00 O ATOM 0 H SER A 54 -4.899 2.453 -1.702 1.00 0.00 H new ATOM 0 HA SER A 54 -4.215 0.746 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.786 0.893 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.214 -0.265 -1.372 1.00 0.00 H new ATOM 0 HG SER A 54 -6.973 -1.294 0.566 1.00 0.00 H new ATOM 839 N LEU A 55 -3.938 -1.141 -1.580 1.00 0.00 N ATOM 840 CA LEU A 55 -3.132 -1.919 -2.505 1.00 0.00 C ATOM 841 C LEU A 55 -3.911 -2.120 -3.807 1.00 0.00 C ATOM 842 O LEU A 55 -4.964 -2.756 -3.813 1.00 0.00 O ATOM 843 CB LEU A 55 -2.677 -3.225 -1.852 1.00 0.00 C ATOM 844 CG LEU A 55 -1.637 -4.036 -2.628 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.364 -3.220 -2.855 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.348 -5.367 -1.930 1.00 0.00 C ATOM 0 H LEU A 55 -4.667 -1.670 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.218 -1.382 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.268 -2.993 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.553 -3.853 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.049 -4.270 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.359 -3.820 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.604 -2.323 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.062 -2.935 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.606 -5.924 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.965 -5.176 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.267 -5.950 -1.863 1.00 0.00 H new ATOM 858 N ARG A 56 -3.362 -1.568 -4.879 1.00 0.00 N ATOM 859 CA ARG A 56 -3.991 -1.679 -6.184 1.00 0.00 C ATOM 860 C ARG A 56 -3.042 -1.180 -7.275 1.00 0.00 C ATOM 861 O ARG A 56 -2.064 -0.492 -6.986 1.00 0.00 O ATOM 862 CB ARG A 56 -5.290 -0.872 -6.239 1.00 0.00 C ATOM 863 CG ARG A 56 -6.453 -1.664 -5.639 1.00 0.00 C ATOM 864 CD ARG A 56 -7.738 -1.444 -6.442 1.00 0.00 C ATOM 865 NE ARG A 56 -8.711 -2.518 -6.143 1.00 0.00 N ATOM 866 CZ ARG A 56 -10.015 -2.455 -6.444 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.510 -1.369 -7.054 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.824 -3.477 -6.136 1.00 0.00 N ATOM 0 H ARG A 56 -2.488 -1.042 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.222 -2.731 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.164 0.064 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.517 -0.612 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.206 -2.726 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.610 -1.359 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.168 -0.473 -6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.513 -1.432 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.367 -3.359 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.894 -0.591 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.503 -1.321 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.447 -4.304 -5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.817 -3.429 -6.365 1.00 0.00 H new ATOM 882 N ARG A 57 -3.363 -1.547 -8.507 1.00 0.00 N ATOM 883 CA ARG A 57 -2.551 -1.145 -9.643 1.00 0.00 C ATOM 884 C ARG A 57 -2.117 0.314 -9.496 1.00 0.00 C ATOM 885 O ARG A 57 -2.934 1.181 -9.191 1.00 0.00 O ATOM 886 CB ARG A 57 -3.320 -1.311 -10.956 1.00 0.00 C ATOM 887 CG ARG A 57 -2.749 -2.465 -11.783 1.00 0.00 C ATOM 888 CD ARG A 57 -3.812 -3.047 -12.717 1.00 0.00 C ATOM 889 NE ARG A 57 -3.884 -2.249 -13.962 1.00 0.00 N ATOM 890 CZ ARG A 57 -4.726 -2.508 -14.972 1.00 0.00 C ATOM 891 NH1 ARG A 57 -5.572 -3.544 -14.891 1.00 0.00 N ATOM 892 NH2 ARG A 57 -4.722 -1.730 -16.063 1.00 0.00 N ATOM 0 H ARG A 57 -4.174 -2.118 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.672 -1.789 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.373 -1.497 -10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.269 -0.386 -11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.899 -2.113 -12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.377 -3.245 -11.118 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.572 -4.084 -12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.782 -3.050 -12.220 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.254 -1.453 -14.057 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.575 -4.136 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.213 -3.741 -15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.078 -0.941 -16.124 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.363 -1.927 -16.832 1.00 0.00 H new ATOM 906 N PRO A 58 -0.797 0.547 -9.725 1.00 0.00 N ATOM 907 CA PRO A 58 -0.244 1.887 -9.620 1.00 0.00 C ATOM 908 C PRO A 58 -0.639 2.738 -10.828 1.00 0.00 C ATOM 909 O PRO A 58 0.224 3.263 -11.531 1.00 0.00 O ATOM 910 CB PRO A 58 1.258 1.684 -9.502 1.00 0.00 C ATOM 911 CG PRO A 58 1.530 0.277 -10.009 1.00 0.00 C ATOM 912 CD PRO A 58 0.201 -0.455 -10.088 1.00 0.00 C ATOM 0 HA PRO A 58 -0.627 2.435 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.799 2.423 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.587 1.797 -8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.007 0.310 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.214 -0.245 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.023 -0.846 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.176 -1.304 -9.405 1.00 0.00 H new ATOM 920 N ASN A 59 -1.943 2.850 -11.033 1.00 0.00 N ATOM 921 CA ASN A 59 -2.463 3.629 -12.143 1.00 0.00 C ATOM 922 C ASN A 59 -3.828 4.205 -11.762 1.00 0.00 C ATOM 923 O ASN A 59 -4.092 5.385 -11.985 1.00 0.00 O ATOM 924 CB ASN A 59 -2.648 2.758 -13.388 1.00 0.00 C ATOM 925 CG ASN A 59 -3.462 3.493 -14.455 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.590 4.706 -14.449 1.00 0.00 O ATOM 927 ND2 ASN A 59 -4.004 2.692 -15.368 1.00 0.00 N ATOM 0 H ASN A 59 -2.656 2.414 -10.448 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.749 4.423 -12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.674 2.485 -13.793 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.152 1.831 -13.116 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.567 3.086 -16.122 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.857 1.684 -15.314 1.00 0.00 H new ATOM 934 N CYS A 60 -4.660 3.344 -11.194 1.00 0.00 N ATOM 935 CA CYS A 60 -5.991 3.752 -10.779 1.00 0.00 C ATOM 936 C CYS A 60 -5.853 4.916 -9.796 1.00 0.00 C ATOM 937 O CYS A 60 -6.786 5.697 -9.617 1.00 0.00 O ATOM 938 CB CYS A 60 -6.779 2.587 -10.176 1.00 0.00 C ATOM 939 SG CYS A 60 -8.560 3.000 -10.116 1.00 0.00 S ATOM 0 H CYS A 60 -4.438 2.365 -11.012 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.561 4.078 -11.649 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.626 1.687 -10.771 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.413 2.371 -9.172 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.220 2.003 -9.604 1.00 0.00 H new ATOM 945 N PHE A 61 -4.680 4.996 -9.185 1.00 0.00 N ATOM 946 CA PHE A 61 -4.407 6.052 -8.225 1.00 0.00 C ATOM 947 C PHE A 61 -4.036 7.356 -8.934 1.00 0.00 C ATOM 948 O PHE A 61 -3.722 7.352 -10.123 1.00 0.00 O ATOM 949 CB PHE A 61 -3.219 5.590 -7.378 1.00 0.00 C ATOM 950 CG PHE A 61 -3.533 4.408 -6.458 1.00 0.00 C ATOM 951 CD1 PHE A 61 -3.381 3.135 -6.912 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.964 4.631 -5.188 1.00 0.00 C ATOM 953 CE1 PHE A 61 -3.673 2.038 -6.058 1.00 0.00 C ATOM 954 CE2 PHE A 61 -4.255 3.534 -4.334 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.104 2.260 -4.788 1.00 0.00 C ATOM 0 H PHE A 61 -3.908 4.347 -9.336 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.292 6.240 -7.617 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.399 5.314 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.871 6.426 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.039 2.958 -7.921 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.085 5.642 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.552 1.027 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.596 3.711 -3.325 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.327 1.426 -4.139 1.00 0.00 H new ATOM 965 N GLY A 62 -4.084 8.440 -8.174 1.00 0.00 N ATOM 966 CA GLY A 62 -3.756 9.748 -8.715 1.00 0.00 C ATOM 967 C GLY A 62 -2.311 10.131 -8.387 1.00 0.00 C ATOM 968 O GLY A 62 -1.753 9.669 -7.394 1.00 0.00 O ATOM 0 H GLY A 62 -4.345 8.439 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.899 9.745 -9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.436 10.495 -8.306 1.00 0.00 H new ATOM 972 N ILE A 63 -1.748 10.972 -9.242 1.00 0.00 N ATOM 973 CA ILE A 63 -0.379 11.422 -9.057 1.00 0.00 C ATOM 974 C ILE A 63 -0.132 11.690 -7.571 1.00 0.00 C ATOM 975 O ILE A 63 0.776 11.113 -6.974 1.00 0.00 O ATOM 976 CB ILE A 63 -0.083 12.624 -9.956 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.246 12.175 -11.381 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.024 13.496 -9.360 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.911 12.483 -12.334 1.00 0.00 C ATOM 0 H ILE A 63 -2.215 11.354 -10.065 1.00 0.00 H new ATOM 0 HA ILE A 63 0.322 10.645 -9.363 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.982 13.238 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.149 12.679 -11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.454 11.105 -11.390 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.214 14.343 -10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.713 13.861 -8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.935 12.906 -9.255 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.651 12.154 -13.340 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.806 11.959 -12.001 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.101 13.556 -12.341 1.00 0.00 H new ATOM 991 N ALA A 64 -0.956 12.566 -7.015 1.00 0.00 N ATOM 992 CA ALA A 64 -0.839 12.918 -5.610 1.00 0.00 C ATOM 993 C ALA A 64 -0.768 11.640 -4.773 1.00 0.00 C ATOM 994 O ALA A 64 0.059 11.530 -3.869 1.00 0.00 O ATOM 995 CB ALA A 64 -2.012 13.814 -5.209 1.00 0.00 C ATOM 0 H ALA A 64 -1.708 13.043 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 64 0.077 13.481 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.924 14.078 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.000 14.721 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.949 13.282 -5.373 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.647 10.705 -5.103 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.695 9.438 -4.393 1.00 0.00 C ATOM 1003 C LYS A 65 -0.362 8.708 -4.571 1.00 0.00 C ATOM 1004 O LYS A 65 0.345 8.453 -3.598 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.909 8.620 -4.838 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.213 9.325 -4.460 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.422 8.429 -4.742 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.541 8.685 -3.731 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.774 7.971 -4.131 1.00 0.00 N ATOM 0 H LYS A 65 -2.332 10.800 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.827 9.605 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.873 8.467 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.877 7.634 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.193 9.593 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.305 10.254 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.789 8.615 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.121 7.382 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.227 8.354 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.739 9.755 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.524 8.155 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.081 8.306 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.585 6.949 -4.174 1.00 0.00 H new ATOM 1023 N LEU A 66 -0.060 8.391 -5.822 1.00 0.00 N ATOM 1024 CA LEU A 66 1.175 7.695 -6.140 1.00 0.00 C ATOM 1025 C LEU A 66 2.306 8.250 -5.271 1.00 0.00 C ATOM 1026 O LEU A 66 3.006 7.493 -4.600 1.00 0.00 O ATOM 1027 CB LEU A 66 1.460 7.769 -7.641 1.00 0.00 C ATOM 1028 CG LEU A 66 0.475 7.029 -8.548 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.689 7.408 -10.015 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.557 5.517 -8.329 1.00 0.00 C ATOM 0 H LEU A 66 -0.649 8.603 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 66 1.085 6.634 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.477 8.818 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.459 7.371 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.535 7.339 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.024 6.868 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.540 8.481 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.704 7.146 -10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.153 5.015 -8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.566 5.171 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.317 5.286 -7.291 1.00 0.00 H new ATOM 1042 N ARG A 67 2.450 9.566 -5.312 1.00 0.00 N ATOM 1043 CA ARG A 67 3.484 10.231 -4.537 1.00 0.00 C ATOM 1044 C ARG A 67 3.415 9.791 -3.073 1.00 0.00 C ATOM 1045 O ARG A 67 4.376 9.237 -2.542 1.00 0.00 O ATOM 1046 CB ARG A 67 3.337 11.752 -4.613 1.00 0.00 C ATOM 1047 CG ARG A 67 3.751 12.274 -5.990 1.00 0.00 C ATOM 1048 CD ARG A 67 4.038 13.776 -5.943 1.00 0.00 C ATOM 1049 NE ARG A 67 5.373 14.054 -6.519 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.521 13.954 -5.836 1.00 0.00 C ATOM 1051 NH1 ARG A 67 6.505 13.581 -4.549 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.686 14.226 -6.440 1.00 0.00 N ATOM 0 H ARG A 67 1.868 10.190 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 67 4.448 9.949 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.303 12.032 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.951 12.219 -3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.638 11.741 -6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.959 12.074 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.273 14.318 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.996 14.131 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 67 5.422 14.340 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.619 13.373 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.379 13.505 -4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.699 14.509 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.560 14.150 -5.920 1.00 0.00 H new ATOM 1066 N LYS A 68 2.269 10.054 -2.463 1.00 0.00 N ATOM 1067 CA LYS A 68 2.062 9.693 -1.071 1.00 0.00 C ATOM 1068 C LYS A 68 2.685 8.320 -0.807 1.00 0.00 C ATOM 1069 O LYS A 68 3.602 8.196 0.003 1.00 0.00 O ATOM 1070 CB LYS A 68 0.577 9.774 -0.711 1.00 0.00 C ATOM 1071 CG LYS A 68 0.353 10.702 0.485 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.800 11.671 0.217 1.00 0.00 C ATOM 1073 CE LYS A 68 -0.944 12.680 1.358 1.00 0.00 C ATOM 1074 NZ LYS A 68 -0.336 13.976 0.984 1.00 0.00 N ATOM 0 H LYS A 68 1.474 10.513 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 68 2.564 10.403 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.010 10.137 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.201 8.778 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.136 10.110 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.265 11.263 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.626 12.199 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.729 11.113 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.998 12.821 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.464 12.292 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.443 14.649 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.675 13.839 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.812 14.352 0.139 1.00 0.00 H new ATOM 1088 N ILE A 69 2.160 7.324 -1.506 1.00 0.00 N ATOM 1089 CA ILE A 69 2.653 5.965 -1.357 1.00 0.00 C ATOM 1090 C ILE A 69 4.183 5.979 -1.356 1.00 0.00 C ATOM 1091 O ILE A 69 4.811 5.482 -0.422 1.00 0.00 O ATOM 1092 CB ILE A 69 2.048 5.056 -2.429 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.526 4.979 -2.287 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.696 3.670 -2.402 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.111 4.373 -3.539 1.00 0.00 C ATOM 0 H ILE A 69 1.399 7.431 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 69 2.337 5.548 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 69 2.259 5.492 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.268 4.377 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.122 5.977 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.248 3.044 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.766 3.765 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.536 3.213 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.193 4.330 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.128 4.991 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.277 3.366 -3.694 1.00 0.00 H new ATOM 1107 N LEU A 70 4.739 6.554 -2.412 1.00 0.00 N ATOM 1108 CA LEU A 70 6.183 6.640 -2.544 1.00 0.00 C ATOM 1109 C LEU A 70 6.765 7.322 -1.304 1.00 0.00 C ATOM 1110 O LEU A 70 7.809 6.913 -0.798 1.00 0.00 O ATOM 1111 CB LEU A 70 6.561 7.326 -3.858 1.00 0.00 C ATOM 1112 CG LEU A 70 6.379 6.491 -5.128 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.528 7.358 -6.380 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.334 5.296 -5.140 1.00 0.00 C ATOM 0 H LEU A 70 4.215 6.965 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 70 6.621 5.643 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.965 8.234 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.605 7.635 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 70 5.365 6.092 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.394 6.741 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.775 8.146 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.521 7.806 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.184 4.720 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.363 5.652 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.136 4.663 -4.275 1.00 0.00 H new ATOM 1126 N GLU A 71 6.064 8.351 -0.851 1.00 0.00 N ATOM 1127 CA GLU A 71 6.498 9.094 0.320 1.00 0.00 C ATOM 1128 C GLU A 71 6.338 8.241 1.580 1.00 0.00 C ATOM 1129 O GLU A 71 6.977 8.504 2.597 1.00 0.00 O ATOM 1130 CB GLU A 71 5.730 10.412 0.449 1.00 0.00 C ATOM 1131 CG GLU A 71 5.806 11.219 -0.849 1.00 0.00 C ATOM 1132 CD GLU A 71 5.983 12.710 -0.557 1.00 0.00 C ATOM 1133 OE1 GLU A 71 5.056 13.283 0.054 1.00 0.00 O ATOM 1134 OE2 GLU A 71 7.042 13.244 -0.952 1.00 0.00 O ATOM 0 H GLU A 71 5.199 8.688 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 71 7.554 9.337 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.688 10.207 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.141 10.998 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.639 10.862 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.898 11.064 -1.432 1.00 0.00 H new ATOM 1141 N ALA A 72 5.481 7.236 1.470 1.00 0.00 N ATOM 1142 CA ALA A 72 5.228 6.343 2.588 1.00 0.00 C ATOM 1143 C ALA A 72 5.770 4.951 2.255 1.00 0.00 C ATOM 1144 O ALA A 72 5.257 3.948 2.748 1.00 0.00 O ATOM 1145 CB ALA A 72 3.731 6.327 2.901 1.00 0.00 C ATOM 0 H ALA A 72 4.953 7.021 0.624 1.00 0.00 H new ATOM 0 HA ALA A 72 5.743 6.692 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.542 5.657 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.403 7.334 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.180 5.979 2.027 1.00 0.00 H new ATOM 1151 N SER A 73 6.798 4.935 1.420 1.00 0.00 N ATOM 1152 CA SER A 73 7.415 3.683 1.016 1.00 0.00 C ATOM 1153 C SER A 73 8.067 3.007 2.223 1.00 0.00 C ATOM 1154 O SER A 73 7.667 1.913 2.617 1.00 0.00 O ATOM 1155 CB SER A 73 8.449 3.910 -0.089 1.00 0.00 C ATOM 1156 OG SER A 73 9.654 3.188 0.152 1.00 0.00 O ATOM 0 H SER A 73 7.220 5.769 1.012 1.00 0.00 H new ATOM 0 HA SER A 73 6.637 3.031 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.029 3.605 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.673 4.974 -0.164 1.00 0.00 H new ATOM 0 HG SER A 73 10.288 3.357 -0.576 1.00 0.00 H new ATOM 1162 N ASN A 74 9.060 3.687 2.777 1.00 0.00 N ATOM 1163 CA ASN A 74 9.772 3.165 3.931 1.00 0.00 C ATOM 1164 C ASN A 74 8.763 2.618 4.942 1.00 0.00 C ATOM 1165 O ASN A 74 9.035 1.631 5.625 1.00 0.00 O ATOM 1166 CB ASN A 74 10.583 4.264 4.621 1.00 0.00 C ATOM 1167 CG ASN A 74 12.083 3.976 4.531 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.622 3.130 5.225 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.725 4.726 3.640 1.00 0.00 N ATOM 0 H ASN A 74 9.388 4.595 2.448 1.00 0.00 H new ATOM 0 HA ASN A 74 10.446 2.382 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.365 5.227 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.285 4.339 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.729 4.611 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.213 5.417 3.091 1.00 0.00 H new ATOM 1176 N SER A 75 7.618 3.281 5.006 1.00 0.00 N ATOM 1177 CA SER A 75 6.566 2.873 5.922 1.00 0.00 C ATOM 1178 C SER A 75 5.847 1.638 5.376 1.00 0.00 C ATOM 1179 O SER A 75 5.668 0.653 6.091 1.00 0.00 O ATOM 1180 CB SER A 75 5.568 4.009 6.157 1.00 0.00 C ATOM 1181 OG SER A 75 5.772 4.648 7.414 1.00 0.00 O ATOM 0 H SER A 75 7.395 4.099 4.438 1.00 0.00 H new ATOM 0 HA SER A 75 7.024 2.625 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.661 4.744 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.553 3.615 6.111 1.00 0.00 H new ATOM 0 HG SER A 75 5.117 5.368 7.525 1.00 0.00 H new ATOM 1187 N ILE A 76 5.453 1.732 4.115 1.00 0.00 N ATOM 1188 CA ILE A 76 4.756 0.635 3.465 1.00 0.00 C ATOM 1189 C ILE A 76 5.463 -0.681 3.798 1.00 0.00 C ATOM 1190 O ILE A 76 6.655 -0.689 4.103 1.00 0.00 O ATOM 1191 CB ILE A 76 4.624 0.898 1.964 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.416 1.791 1.668 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.572 -0.414 1.179 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.307 2.087 0.172 1.00 0.00 C ATOM 0 H ILE A 76 5.603 2.551 3.526 1.00 0.00 H new ATOM 0 HA ILE A 76 3.736 0.555 3.842 1.00 0.00 H new ATOM 0 HB ILE A 76 5.512 1.436 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.505 1.302 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.506 2.726 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.478 -0.198 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.487 -0.980 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.714 -1.001 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.441 2.723 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.209 2.597 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.193 1.152 -0.377 1.00 0.00 H new ATOM 1206 N GLN A 77 4.699 -1.761 3.728 1.00 0.00 N ATOM 1207 CA GLN A 77 5.237 -3.079 4.018 1.00 0.00 C ATOM 1208 C GLN A 77 4.225 -4.161 3.636 1.00 0.00 C ATOM 1209 O GLN A 77 3.073 -4.118 4.064 1.00 0.00 O ATOM 1210 CB GLN A 77 5.635 -3.196 5.490 1.00 0.00 C ATOM 1211 CG GLN A 77 6.538 -4.410 5.719 1.00 0.00 C ATOM 1212 CD GLN A 77 7.388 -4.232 6.979 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.530 -3.145 7.515 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.944 -5.357 7.420 1.00 0.00 N ATOM 0 H GLN A 77 3.711 -1.750 3.474 1.00 0.00 H new ATOM 0 HA GLN A 77 6.137 -3.223 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.152 -2.289 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.740 -3.282 6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.928 -5.309 5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.187 -4.553 4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.784 -6.234 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.530 -5.343 8.255 1.00 0.00 H new ATOM 1223 N PHE A 78 4.693 -5.106 2.833 1.00 0.00 N ATOM 1224 CA PHE A 78 3.843 -6.198 2.388 1.00 0.00 C ATOM 1225 C PHE A 78 3.847 -7.344 3.402 1.00 0.00 C ATOM 1226 O PHE A 78 4.769 -8.158 3.420 1.00 0.00 O ATOM 1227 CB PHE A 78 4.420 -6.702 1.064 1.00 0.00 C ATOM 1228 CG PHE A 78 4.024 -5.858 -0.149 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.208 -4.511 -0.129 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.487 -6.455 -1.247 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.840 -3.727 -1.255 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.119 -5.671 -2.372 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.303 -4.324 -2.353 1.00 0.00 C ATOM 0 H PHE A 78 5.649 -5.138 2.479 1.00 0.00 H new ATOM 0 HA PHE A 78 2.816 -5.850 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.507 -6.725 1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.090 -7.728 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.634 -4.037 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.341 -7.525 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.987 -2.657 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.693 -6.145 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.023 -3.728 -3.209 1.00 0.00 H new ATOM 1243 N VAL A 79 2.806 -7.370 4.221 1.00 0.00 N ATOM 1244 CA VAL A 79 2.678 -8.403 5.235 1.00 0.00 C ATOM 1245 C VAL A 79 2.013 -9.636 4.621 1.00 0.00 C ATOM 1246 O VAL A 79 0.981 -9.524 3.960 1.00 0.00 O ATOM 1247 CB VAL A 79 1.920 -7.856 6.447 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.626 -8.967 7.457 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.690 -6.708 7.103 1.00 0.00 C ATOM 0 H VAL A 79 2.044 -6.693 4.203 1.00 0.00 H new ATOM 0 HA VAL A 79 3.661 -8.709 5.594 1.00 0.00 H new ATOM 0 HB VAL A 79 0.966 -7.462 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.087 -8.551 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.018 -9.738 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.564 -9.404 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.130 -6.338 7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.665 -7.066 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.825 -5.901 6.382 1.00 0.00 H new ATOM 1259 N ILE A 80 2.631 -10.783 4.860 1.00 0.00 N ATOM 1260 CA ILE A 80 2.111 -12.036 4.338 1.00 0.00 C ATOM 1261 C ILE A 80 1.562 -12.876 5.492 1.00 0.00 C ATOM 1262 O ILE A 80 2.234 -13.057 6.507 1.00 0.00 O ATOM 1263 CB ILE A 80 3.177 -12.754 3.507 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.959 -11.762 2.643 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.558 -13.876 2.673 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.061 -11.143 1.570 1.00 0.00 C ATOM 0 H ILE A 80 3.487 -10.871 5.408 1.00 0.00 H new ATOM 0 HA ILE A 80 1.281 -11.849 3.657 1.00 0.00 H new ATOM 0 HB ILE A 80 3.889 -13.216 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.375 -10.975 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.800 -12.270 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.337 -14.370 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.083 -14.601 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.812 -13.458 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.641 -10.442 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.666 -11.930 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.235 -10.615 2.047 1.00 0.00 H new ATOM 1278 N LYS A 81 0.347 -13.368 5.299 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.299 -14.185 6.312 1.00 0.00 C ATOM 1280 C LYS A 81 -0.483 -15.605 5.775 1.00 0.00 C ATOM 1281 O LYS A 81 -0.264 -16.578 6.494 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.601 -13.530 6.778 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.387 -12.048 7.095 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.277 -11.821 8.604 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.598 -11.304 9.179 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.948 -12.038 10.415 1.00 0.00 N ATOM 0 H LYS A 81 -0.207 -13.217 4.456 1.00 0.00 H new ATOM 0 HA LYS A 81 0.329 -14.259 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.362 -13.634 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.975 -14.045 7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.481 -11.694 6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.216 -11.463 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.002 -12.754 9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.481 -11.105 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.516 -10.238 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.393 -11.421 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.847 -11.675 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.046 -13.051 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.197 -11.905 11.122 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.884 -15.679 4.514 1.00 0.00 N ATOM 1301 CA ARG A 82 -1.100 -16.964 3.872 1.00 0.00 C ATOM 1302 C ARG A 82 -0.551 -16.943 2.444 1.00 0.00 C ATOM 1303 O ARG A 82 -1.241 -16.526 1.515 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.589 -17.317 3.833 1.00 0.00 C ATOM 1305 CG ARG A 82 -3.186 -17.330 5.241 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.464 -18.170 5.287 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.699 -18.659 6.664 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.869 -19.147 7.098 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.918 -19.214 6.266 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -5.991 -19.568 8.365 1.00 0.00 N ATOM 0 H ARG A 82 -1.065 -14.870 3.920 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.574 -17.719 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.122 -16.594 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.723 -18.294 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.457 -17.731 5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.405 -16.310 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.313 -17.573 4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.379 -19.014 4.602 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.922 -18.622 7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.826 -18.893 5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.808 -19.586 6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.193 -19.517 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.882 -19.939 8.695 1.00 0.00 H new ATOM 1324 N PRO A 83 0.719 -17.411 2.310 1.00 0.00 N ATOM 1325 CA PRO A 83 1.370 -17.449 1.011 1.00 0.00 C ATOM 1326 C PRO A 83 0.821 -18.594 0.157 1.00 0.00 C ATOM 1327 O PRO A 83 1.007 -18.611 -1.059 1.00 0.00 O ATOM 1328 CB PRO A 83 2.851 -17.593 1.317 1.00 0.00 C ATOM 1329 CG PRO A 83 2.934 -18.096 2.749 1.00 0.00 C ATOM 1330 CD PRO A 83 1.567 -17.913 3.387 1.00 0.00 C ATOM 0 HA PRO A 83 1.185 -16.551 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.326 -18.293 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.367 -16.639 1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.227 -19.146 2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.692 -17.543 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.187 -18.854 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.609 -17.209 4.218 1.00 0.00 H new ATOM 1338 N GLU A 84 0.156 -19.524 0.827 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.421 -20.670 0.145 1.00 0.00 C ATOM 1340 C GLU A 84 -1.394 -20.206 -0.940 1.00 0.00 C ATOM 1341 O GLU A 84 -1.683 -20.948 -1.878 1.00 0.00 O ATOM 1342 CB GLU A 84 -1.111 -21.608 1.137 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.369 -20.960 1.720 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.147 -21.954 2.584 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.593 -22.353 3.631 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.279 -22.294 2.178 1.00 0.00 O ATOM 0 H GLU A 84 0.004 -19.507 1.835 1.00 0.00 H new ATOM 0 HA GLU A 84 0.384 -21.229 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.376 -22.540 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.422 -21.862 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.092 -20.092 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.005 -20.600 0.911 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.874 -18.982 -0.777 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.809 -18.411 -1.731 1.00 0.00 C ATOM 1355 C LEU A 85 -2.072 -18.094 -3.034 1.00 0.00 C ATOM 1356 O LEU A 85 -2.583 -18.360 -4.121 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.527 -17.205 -1.122 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.300 -17.468 0.172 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.854 -16.166 0.754 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.398 -18.511 -0.047 1.00 0.00 C ATOM 0 H LEU A 85 -1.633 -18.370 0.002 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.592 -19.130 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.788 -16.427 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.222 -16.809 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.607 -17.880 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.399 -16.381 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.031 -15.485 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.527 -15.703 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.932 -18.679 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.096 -18.152 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.950 -19.446 -0.382 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.883 -17.531 -2.882 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.070 -17.175 -4.033 1.00 0.00 C ATOM 1374 C LEU A 86 -0.132 -18.303 -5.064 1.00 0.00 C ATOM 1375 O LEU A 86 -0.491 -18.076 -6.218 1.00 0.00 O ATOM 1376 CB LEU A 86 1.352 -16.818 -3.595 1.00 0.00 C ATOM 1377 CG LEU A 86 1.476 -15.673 -2.588 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.943 -15.395 -2.253 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.755 -14.421 -3.090 1.00 0.00 C ATOM 0 H LEU A 86 -0.462 -17.312 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.463 -16.280 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.812 -17.707 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.930 -16.559 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 86 0.986 -15.977 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.004 -14.577 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.394 -16.289 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.478 -15.120 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.859 -13.622 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.194 -14.103 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.302 -14.644 -3.237 1.00 0.00 H new