USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 581 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 37 THR OG1 : rot 84:sc= -0.92 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -1.01 K(o=-1.9,f=0.56) USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0.539 K(o=0.54,f=-1.9!) USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.993 K(o=2.3,f=1.1) USER MOD Set 3.2: A 17 TYR OH : rot -166:sc= 1.3 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.495 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.672 K(o=-0.67,f=-3.9!) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= -0.25 (180deg=-0.253) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.086 (180deg=-0.412) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc=-0.00661 (180deg=-0.0666) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.17) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 149:sc= -0.449 (180deg=-1.26) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0.459 (180deg=0.419) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0.219 (180deg=0.183) USER MOD Single : A 65 THR OG1 : rot 82:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -2.807 15.886 -7.188 1.00 0.00 N ATOM 62 CA HIS A 4 -3.158 14.809 -8.100 1.00 0.00 C ATOM 63 C HIS A 4 -2.604 13.470 -7.599 1.00 0.00 C ATOM 64 O HIS A 4 -3.132 12.407 -7.921 1.00 0.00 O ATOM 65 CB HIS A 4 -2.611 15.133 -9.489 1.00 0.00 C ATOM 66 CG HIS A 4 -3.357 14.484 -10.613 1.00 0.00 C ATOM 67 ND1 HIS A 4 -2.830 13.515 -11.435 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.592 14.743 -11.089 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.715 13.212 -12.367 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.790 13.948 -12.170 1.00 0.00 N ATOM 0 HA HIS A 4 -4.243 14.719 -8.150 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.631 16.213 -9.631 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.567 14.825 -9.536 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.296 15.454 -10.683 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.581 12.486 -13.155 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.636 13.924 -12.739 1.00 0.00 H new ATOM 79 N GLY A 5 -1.547 13.538 -6.824 1.00 0.00 N ATOM 80 CA GLY A 5 -0.968 12.365 -6.247 1.00 0.00 C ATOM 81 C GLY A 5 -0.576 12.613 -4.812 1.00 0.00 C ATOM 82 O GLY A 5 0.448 13.251 -4.547 1.00 0.00 O ATOM 0 H GLY A 5 -1.072 14.407 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.679 11.540 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.092 12.066 -6.822 1.00 0.00 H new ATOM 86 N LYS A 6 -1.381 12.136 -3.890 1.00 0.00 N ATOM 87 CA LYS A 6 -1.110 12.343 -2.476 1.00 0.00 C ATOM 88 C LYS A 6 -0.375 11.142 -1.902 1.00 0.00 C ATOM 89 O LYS A 6 -0.562 10.023 -2.365 1.00 0.00 O ATOM 90 CB LYS A 6 -2.405 12.588 -1.671 1.00 0.00 C ATOM 91 CG LYS A 6 -3.391 11.413 -1.651 1.00 0.00 C ATOM 92 CD LYS A 6 -4.481 11.641 -0.614 1.00 0.00 C ATOM 93 CE LYS A 6 -5.430 10.446 -0.481 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.288 10.235 -1.673 1.00 0.00 N ATOM 0 H LYS A 6 -2.228 11.603 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.487 13.233 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.135 12.833 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.912 13.460 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.840 11.292 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.858 10.489 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.020 11.843 0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.055 12.527 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.844 9.545 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.065 10.592 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.904 9.412 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.873 11.080 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.689 10.065 -2.506 1.00 0.00 H new ATOM 108 N TYR A 7 0.446 11.368 -0.916 1.00 0.00 N ATOM 109 CA TYR A 7 1.158 10.295 -0.269 1.00 0.00 C ATOM 110 C TYR A 7 0.544 9.979 1.064 1.00 0.00 C ATOM 111 O TYR A 7 0.422 10.853 1.931 1.00 0.00 O ATOM 112 CB TYR A 7 2.654 10.605 -0.111 1.00 0.00 C ATOM 113 CG TYR A 7 3.432 10.539 -1.400 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.005 9.344 -1.815 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.584 11.654 -2.211 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.707 9.261 -2.995 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.289 11.580 -3.392 1.00 0.00 C ATOM 118 CZ TYR A 7 4.845 10.380 -3.781 1.00 0.00 C ATOM 119 OH TYR A 7 5.528 10.294 -4.972 1.00 0.00 O ATOM 0 H TYR A 7 0.642 12.295 -0.537 1.00 0.00 H new ATOM 0 HA TYR A 7 1.074 9.420 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.765 11.601 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.087 9.901 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.897 8.463 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.143 12.594 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.147 8.323 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.406 12.458 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 7 5.535 11.171 -5.409 1.00 0.00 H new ATOM 129 N VAL A 8 0.134 8.758 1.218 1.00 0.00 N ATOM 130 CA VAL A 8 -0.424 8.284 2.453 1.00 0.00 C ATOM 131 C VAL A 8 0.349 7.054 2.868 1.00 0.00 C ATOM 132 O VAL A 8 1.251 6.607 2.136 1.00 0.00 O ATOM 133 CB VAL A 8 -1.953 7.958 2.356 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.755 9.186 1.952 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.220 6.812 1.398 1.00 0.00 C ATOM 0 H VAL A 8 0.177 8.052 0.483 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.337 9.077 3.195 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.278 7.649 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.812 8.927 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.615 9.972 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.414 9.540 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.291 6.614 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.861 7.078 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.699 5.919 1.745 1.00 0.00 H new ATOM 145 N TYR A 9 0.038 6.515 4.001 1.00 0.00 N ATOM 146 CA TYR A 9 0.734 5.358 4.486 1.00 0.00 C ATOM 147 C TYR A 9 -0.223 4.230 4.702 1.00 0.00 C ATOM 148 O TYR A 9 -1.313 4.426 5.233 1.00 0.00 O ATOM 149 CB TYR A 9 1.487 5.666 5.781 1.00 0.00 C ATOM 150 CG TYR A 9 2.626 6.641 5.617 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.406 8.012 5.639 1.00 0.00 C ATOM 152 CD2 TYR A 9 3.925 6.185 5.442 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.445 8.901 5.486 1.00 0.00 C ATOM 154 CE2 TYR A 9 4.973 7.067 5.293 1.00 0.00 C ATOM 155 CZ TYR A 9 4.724 8.428 5.314 1.00 0.00 C ATOM 156 OH TYR A 9 5.760 9.316 5.167 1.00 0.00 O ATOM 0 H TYR A 9 -0.700 6.858 4.616 1.00 0.00 H new ATOM 0 HA TYR A 9 1.465 5.066 3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.783 6.066 6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.877 4.735 6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.403 8.387 5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.117 5.122 5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.257 9.964 5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.980 6.699 5.161 1.00 0.00 H new ATOM 0 HH TYR A 9 6.600 8.823 5.056 1.00 0.00 H new ATOM 166 N ILE A 10 0.151 3.067 4.269 1.00 0.00 N ATOM 167 CA ILE A 10 -0.663 1.914 4.501 1.00 0.00 C ATOM 168 C ILE A 10 -0.321 1.369 5.865 1.00 0.00 C ATOM 169 O ILE A 10 0.863 1.120 6.171 1.00 0.00 O ATOM 170 CB ILE A 10 -0.494 0.817 3.413 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.824 1.374 2.018 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.343 -0.423 3.714 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.212 1.963 1.899 1.00 0.00 C ATOM 0 H ILE A 10 1.013 2.890 3.754 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.709 2.216 4.452 1.00 0.00 H new ATOM 0 HB ILE A 10 0.551 0.508 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.093 2.141 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.716 0.575 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.195 -1.165 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.043 -0.845 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.395 -0.142 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.365 2.333 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.953 1.195 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.320 2.786 2.606 1.00 0.00 H new ATOM 185 N ASP A 11 -1.332 1.221 6.686 1.00 0.00 N ATOM 186 CA ASP A 11 -1.162 0.762 8.039 1.00 0.00 C ATOM 187 C ASP A 11 -0.848 -0.711 8.060 1.00 0.00 C ATOM 188 O ASP A 11 -1.737 -1.570 7.993 1.00 0.00 O ATOM 189 CB ASP A 11 -2.379 1.096 8.924 1.00 0.00 C ATOM 190 CG ASP A 11 -2.223 0.619 10.364 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.488 1.261 11.153 1.00 0.00 O ATOM 192 OD2 ASP A 11 -2.857 -0.380 10.741 1.00 0.00 O ATOM 0 H ASP A 11 -2.300 1.417 6.431 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.314 1.298 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.538 2.174 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.270 0.641 8.492 1.00 0.00 H new ATOM 197 N LEU A 12 0.435 -0.992 8.005 1.00 0.00 N ATOM 198 CA LEU A 12 0.936 -2.339 8.127 1.00 0.00 C ATOM 199 C LEU A 12 0.949 -2.660 9.591 1.00 0.00 C ATOM 200 O LEU A 12 0.711 -3.785 10.002 1.00 0.00 O ATOM 201 CB LEU A 12 2.358 -2.433 7.586 1.00 0.00 C ATOM 202 CG LEU A 12 2.612 -1.838 6.205 1.00 0.00 C ATOM 203 CD1 LEU A 12 4.048 -2.086 5.794 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.644 -2.394 5.181 1.00 0.00 C ATOM 0 H LEU A 12 1.162 -0.288 7.874 1.00 0.00 H new ATOM 0 HA LEU A 12 0.311 -3.031 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.024 -1.941 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.642 -3.485 7.559 1.00 0.00 H new ATOM 0 HG LEU A 12 2.445 -0.762 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.223 -1.659 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.719 -1.619 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.238 -3.159 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.850 -1.951 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.761 -3.476 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.623 -2.156 5.479 1.00 0.00 H new ATOM 216 N ASN A 13 1.309 -1.628 10.365 1.00 0.00 N ATOM 217 CA ASN A 13 1.250 -1.614 11.833 1.00 0.00 C ATOM 218 C ASN A 13 2.196 -2.657 12.457 1.00 0.00 C ATOM 219 O ASN A 13 2.142 -2.934 13.642 1.00 0.00 O ATOM 220 CB ASN A 13 -0.200 -1.867 12.280 1.00 0.00 C ATOM 221 CG ASN A 13 -0.522 -1.296 13.634 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.327 -1.938 14.669 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.060 -0.103 13.637 1.00 0.00 N ATOM 0 H ASN A 13 1.660 -0.753 9.975 1.00 0.00 H new ATOM 0 HA ASN A 13 1.581 -0.636 12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.879 -1.437 11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.384 -2.941 12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.336 0.330 14.518 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.204 0.394 12.758 1.00 0.00 H new ATOM 230 N ASN A 14 3.087 -3.198 11.665 1.00 0.00 N ATOM 231 CA ASN A 14 3.991 -4.249 12.130 1.00 0.00 C ATOM 232 C ASN A 14 5.400 -3.722 12.375 1.00 0.00 C ATOM 233 O ASN A 14 6.368 -4.493 12.453 1.00 0.00 O ATOM 234 CB ASN A 14 3.996 -5.457 11.154 1.00 0.00 C ATOM 235 CG ASN A 14 4.319 -5.098 9.705 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.018 -4.138 9.428 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.801 -5.861 8.779 1.00 0.00 N ATOM 0 H ASN A 14 3.215 -2.934 10.688 1.00 0.00 H new ATOM 0 HA ASN A 14 3.613 -4.599 13.090 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.724 -6.189 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.019 -5.939 11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.978 -5.660 7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.220 -6.658 9.041 1.00 0.00 H new ATOM 244 N GLY A 15 5.506 -2.420 12.546 1.00 0.00 N ATOM 245 CA GLY A 15 6.793 -1.808 12.805 1.00 0.00 C ATOM 246 C GLY A 15 7.372 -1.131 11.585 1.00 0.00 C ATOM 247 O GLY A 15 8.510 -0.647 11.611 1.00 0.00 O ATOM 0 H GLY A 15 4.722 -1.769 12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.688 -1.076 13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.489 -2.570 13.158 1.00 0.00 H new ATOM 251 N LYS A 16 6.621 -1.133 10.517 1.00 0.00 N ATOM 252 CA LYS A 16 6.998 -0.467 9.297 1.00 0.00 C ATOM 253 C LYS A 16 5.740 -0.079 8.563 1.00 0.00 C ATOM 254 O LYS A 16 4.675 -0.657 8.818 1.00 0.00 O ATOM 255 CB LYS A 16 7.940 -1.339 8.425 1.00 0.00 C ATOM 256 CG LYS A 16 7.391 -2.704 8.053 1.00 0.00 C ATOM 257 CD LYS A 16 8.405 -3.531 7.274 1.00 0.00 C ATOM 258 CE LYS A 16 7.857 -4.918 6.968 1.00 0.00 C ATOM 259 NZ LYS A 16 8.836 -5.774 6.260 1.00 0.00 N ATOM 0 H LYS A 16 5.717 -1.603 10.468 1.00 0.00 H new ATOM 0 HA LYS A 16 7.570 0.430 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.169 -0.795 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.881 -1.476 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.105 -3.239 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.487 -2.581 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.657 -3.022 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.327 -3.619 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.563 -5.402 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.957 -4.823 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.419 -6.712 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.085 -5.337 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.692 -5.876 6.841 1.00 0.00 H new ATOM 273 N TYR A 17 5.839 0.912 7.725 1.00 0.00 N ATOM 274 CA TYR A 17 4.722 1.429 6.962 1.00 0.00 C ATOM 275 C TYR A 17 5.140 1.628 5.538 1.00 0.00 C ATOM 276 O TYR A 17 6.277 1.978 5.276 1.00 0.00 O ATOM 277 CB TYR A 17 4.216 2.766 7.550 1.00 0.00 C ATOM 278 CG TYR A 17 3.314 2.621 8.758 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.794 2.160 9.977 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.966 2.922 8.664 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.956 2.005 11.051 1.00 0.00 C ATOM 282 CE2 TYR A 17 1.127 2.767 9.738 1.00 0.00 C ATOM 283 CZ TYR A 17 1.627 2.307 10.925 1.00 0.00 C ATOM 284 OH TYR A 17 0.793 2.145 11.994 1.00 0.00 O ATOM 0 H TYR A 17 6.716 1.400 7.543 1.00 0.00 H new ATOM 0 HA TYR A 17 3.907 0.707 7.011 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.077 3.375 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.677 3.309 6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.842 1.920 10.080 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.568 3.285 7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.343 1.646 11.993 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.078 3.007 9.647 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.138 2.183 11.691 1.00 0.00 H new ATOM 294 N VAL A 18 4.253 1.383 4.624 1.00 0.00 N ATOM 295 CA VAL A 18 4.551 1.599 3.235 1.00 0.00 C ATOM 296 C VAL A 18 3.925 2.910 2.802 1.00 0.00 C ATOM 297 O VAL A 18 2.788 3.230 3.194 1.00 0.00 O ATOM 298 CB VAL A 18 4.100 0.405 2.323 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.630 0.140 2.438 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.490 0.630 0.869 1.00 0.00 C ATOM 0 H VAL A 18 3.314 1.032 4.811 1.00 0.00 H new ATOM 0 HA VAL A 18 5.633 1.655 3.116 1.00 0.00 H new ATOM 0 HB VAL A 18 4.628 -0.479 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.359 -0.694 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.385 -0.108 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.075 1.029 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.161 -0.218 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.016 1.540 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.573 0.729 0.794 1.00 0.00 H new ATOM 310 N LYS A 19 4.667 3.678 2.064 1.00 0.00 N ATOM 311 CA LYS A 19 4.226 4.967 1.630 1.00 0.00 C ATOM 312 C LYS A 19 3.734 4.842 0.206 1.00 0.00 C ATOM 313 O LYS A 19 4.496 4.485 -0.696 1.00 0.00 O ATOM 314 CB LYS A 19 5.390 5.938 1.740 1.00 0.00 C ATOM 315 CG LYS A 19 5.049 7.404 1.568 1.00 0.00 C ATOM 316 CD LYS A 19 6.284 8.226 1.847 1.00 0.00 C ATOM 317 CE LYS A 19 6.025 9.714 1.831 1.00 0.00 C ATOM 318 NZ LYS A 19 7.249 10.463 2.192 1.00 0.00 N ATOM 0 H LYS A 19 5.602 3.426 1.744 1.00 0.00 H new ATOM 0 HA LYS A 19 3.410 5.343 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.857 5.806 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.135 5.668 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.691 7.592 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.246 7.687 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.688 7.945 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.046 7.988 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.686 10.018 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.225 9.956 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.049 11.483 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.557 10.186 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.003 10.246 1.509 1.00 0.00 H new ATOM 332 N VAL A 20 2.476 5.102 0.013 1.00 0.00 N ATOM 333 CA VAL A 20 1.860 4.921 -1.266 1.00 0.00 C ATOM 334 C VAL A 20 1.307 6.248 -1.786 1.00 0.00 C ATOM 335 O VAL A 20 0.798 7.079 -1.018 1.00 0.00 O ATOM 336 CB VAL A 20 0.736 3.828 -1.190 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.369 4.227 -0.238 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.168 3.480 -2.561 1.00 0.00 C ATOM 0 H VAL A 20 1.847 5.446 0.739 1.00 0.00 H new ATOM 0 HA VAL A 20 2.616 4.573 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 20 1.212 2.929 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.128 3.445 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.044 4.364 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.821 5.160 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.605 2.720 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.262 4.373 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.965 3.098 -3.199 1.00 0.00 H new ATOM 348 N ARG A 21 1.463 6.467 -3.062 1.00 0.00 N ATOM 349 CA ARG A 21 0.938 7.632 -3.700 1.00 0.00 C ATOM 350 C ARG A 21 -0.389 7.279 -4.322 1.00 0.00 C ATOM 351 O ARG A 21 -0.480 6.363 -5.157 1.00 0.00 O ATOM 352 CB ARG A 21 1.900 8.162 -4.762 1.00 0.00 C ATOM 353 CG ARG A 21 1.436 9.452 -5.431 1.00 0.00 C ATOM 354 CD ARG A 21 2.463 9.958 -6.432 1.00 0.00 C ATOM 355 NE ARG A 21 2.680 9.012 -7.540 1.00 0.00 N ATOM 356 CZ ARG A 21 3.881 8.689 -8.051 1.00 0.00 C ATOM 357 NH1 ARG A 21 5.004 9.104 -7.458 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.952 7.911 -9.133 1.00 0.00 N ATOM 0 H ARG A 21 1.962 5.835 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 21 0.807 8.420 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.874 8.333 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.038 7.398 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.486 9.280 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.259 10.214 -4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.133 10.916 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.408 10.137 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 21 1.858 8.569 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.954 9.670 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.911 8.855 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.097 7.564 -9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.861 7.663 -9.524 1.00 0.00 H new ATOM 372 N ILE A 22 -1.399 7.963 -3.899 1.00 0.00 N ATOM 373 CA ILE A 22 -2.717 7.755 -4.397 1.00 0.00 C ATOM 374 C ILE A 22 -2.937 8.740 -5.512 1.00 0.00 C ATOM 375 O ILE A 22 -2.869 9.960 -5.291 1.00 0.00 O ATOM 376 CB ILE A 22 -3.791 8.007 -3.306 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.444 7.273 -1.995 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.171 7.590 -3.812 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.316 5.774 -2.119 1.00 0.00 C ATOM 0 H ILE A 22 -1.331 8.692 -3.188 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.810 6.722 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.807 9.075 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.506 7.672 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.213 7.497 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.914 7.773 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.424 8.170 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.161 6.529 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.071 5.348 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.259 5.356 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.525 5.534 -2.830 1.00 0.00 H new ATOM 391 N LEU A 23 -3.151 8.234 -6.680 1.00 0.00 N ATOM 392 CA LEU A 23 -3.383 9.057 -7.831 1.00 0.00 C ATOM 393 C LEU A 23 -4.856 9.339 -7.905 1.00 0.00 C ATOM 394 O LEU A 23 -5.647 8.437 -8.171 1.00 0.00 O ATOM 395 CB LEU A 23 -2.944 8.326 -9.095 1.00 0.00 C ATOM 396 CG LEU A 23 -1.496 7.853 -9.141 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.252 7.039 -10.393 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.543 9.035 -9.084 1.00 0.00 C ATOM 0 H LEU A 23 -3.171 7.232 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.814 9.983 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.590 7.459 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.114 8.985 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.311 7.223 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.214 6.707 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.911 6.171 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.455 7.652 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.485 8.675 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.726 9.691 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.704 9.588 -8.158 1.00 0.00 H new ATOM 410 N LYS A 24 -5.221 10.555 -7.664 1.00 0.00 N ATOM 411 CA LYS A 24 -6.594 10.929 -7.660 1.00 0.00 C ATOM 412 C LYS A 24 -6.827 11.918 -8.771 1.00 0.00 C ATOM 413 O LYS A 24 -6.214 12.986 -8.811 1.00 0.00 O ATOM 414 CB LYS A 24 -6.989 11.515 -6.307 1.00 0.00 C ATOM 415 CG LYS A 24 -8.461 11.844 -6.194 1.00 0.00 C ATOM 416 CD LYS A 24 -8.787 12.461 -4.851 1.00 0.00 C ATOM 417 CE LYS A 24 -10.245 12.864 -4.772 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.604 13.857 -5.813 1.00 0.00 N ATOM 0 H LYS A 24 -4.574 11.317 -7.464 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.217 10.050 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.723 10.807 -5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.409 12.420 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.744 12.532 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.050 10.937 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.560 11.750 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.156 13.335 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.872 11.979 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.453 13.281 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.501 14.318 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.854 14.574 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.709 13.377 -6.729 1.00 0.00 H new ATOM 432 N SER A 25 -7.655 11.543 -9.703 1.00 0.00 N ATOM 433 CA SER A 25 -7.923 12.368 -10.835 1.00 0.00 C ATOM 434 C SER A 25 -9.426 12.595 -11.010 1.00 0.00 C ATOM 435 O SER A 25 -10.129 11.754 -11.590 1.00 0.00 O ATOM 436 CB SER A 25 -7.349 11.697 -12.076 1.00 0.00 C ATOM 437 OG SER A 25 -6.059 11.164 -11.790 1.00 0.00 O ATOM 0 H SER A 25 -8.161 10.657 -9.696 1.00 0.00 H new ATOM 0 HA SER A 25 -7.456 13.341 -10.684 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.015 10.901 -12.410 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.281 12.418 -12.891 1.00 0.00 H new ATOM 0 HG SER A 25 -5.698 10.733 -12.593 1.00 0.00 H new ATOM 443 N ARG A 26 -9.932 13.686 -10.461 1.00 0.00 N ATOM 444 CA ARG A 26 -11.333 14.053 -10.667 1.00 0.00 C ATOM 445 C ARG A 26 -11.430 14.819 -11.989 1.00 0.00 C ATOM 446 O ARG A 26 -12.501 14.999 -12.557 1.00 0.00 O ATOM 447 CB ARG A 26 -11.877 14.922 -9.524 1.00 0.00 C ATOM 448 CG ARG A 26 -13.390 15.146 -9.620 1.00 0.00 C ATOM 449 CD ARG A 26 -13.881 16.231 -8.686 1.00 0.00 C ATOM 450 NE ARG A 26 -13.249 17.521 -8.989 1.00 0.00 N ATOM 451 CZ ARG A 26 -13.806 18.508 -9.709 1.00 0.00 C ATOM 452 NH1 ARG A 26 -15.033 18.378 -10.203 1.00 0.00 N ATOM 453 NH2 ARG A 26 -13.126 19.617 -9.930 1.00 0.00 N ATOM 0 H ARG A 26 -9.404 14.331 -9.874 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.935 13.144 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.644 14.448 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.370 15.887 -9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.650 15.410 -10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.906 14.214 -9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.964 16.325 -8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.666 15.951 -7.655 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.310 17.680 -8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.562 17.522 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.446 19.135 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.183 19.721 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.543 20.371 -10.476 1.00 0.00 H new ATOM 467 N ASP A 27 -10.266 15.241 -12.475 1.00 0.00 N ATOM 468 CA ASP A 27 -10.124 15.971 -13.740 1.00 0.00 C ATOM 469 C ASP A 27 -10.519 15.090 -14.915 1.00 0.00 C ATOM 470 O ASP A 27 -10.872 15.574 -15.988 1.00 0.00 O ATOM 471 CB ASP A 27 -8.685 16.502 -13.908 1.00 0.00 C ATOM 472 CG ASP A 27 -7.624 15.427 -13.831 1.00 0.00 C ATOM 473 OD1 ASP A 27 -7.386 14.896 -12.727 1.00 0.00 O ATOM 474 OD2 ASP A 27 -7.001 15.097 -14.856 1.00 0.00 O ATOM 0 H ASP A 27 -9.379 15.085 -11.997 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.798 16.828 -13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.605 17.010 -14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.490 17.247 -13.137 1.00 0.00 H new ATOM 479 N ASP A 28 -10.451 13.802 -14.703 1.00 0.00 N ATOM 480 CA ASP A 28 -10.928 12.837 -15.677 1.00 0.00 C ATOM 481 C ASP A 28 -12.394 12.561 -15.380 1.00 0.00 C ATOM 482 O ASP A 28 -13.273 12.842 -16.181 1.00 0.00 O ATOM 483 CB ASP A 28 -10.123 11.538 -15.579 1.00 0.00 C ATOM 484 CG ASP A 28 -10.616 10.469 -16.538 1.00 0.00 C ATOM 485 OD1 ASP A 28 -11.527 9.696 -16.179 1.00 0.00 O ATOM 486 OD2 ASP A 28 -10.099 10.382 -17.662 1.00 0.00 O ATOM 0 H ASP A 28 -10.066 13.386 -13.855 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.809 13.233 -16.686 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.074 11.749 -15.785 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.177 11.158 -14.559 1.00 0.00 H new ATOM 491 N ASN A 29 -12.624 12.071 -14.186 1.00 0.00 N ATOM 492 CA ASN A 29 -13.947 11.764 -13.660 1.00 0.00 C ATOM 493 C ASN A 29 -13.805 11.597 -12.171 1.00 0.00 C ATOM 494 O ASN A 29 -14.206 12.457 -11.395 1.00 0.00 O ATOM 495 CB ASN A 29 -14.513 10.470 -14.292 1.00 0.00 C ATOM 496 CG ASN A 29 -15.783 9.958 -13.608 1.00 0.00 C ATOM 497 OD1 ASN A 29 -16.592 10.722 -13.081 1.00 0.00 O ATOM 498 ND2 ASN A 29 -15.937 8.661 -13.571 1.00 0.00 N ATOM 0 H ASN A 29 -11.875 11.865 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.643 12.568 -13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.726 10.653 -15.345 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.750 9.692 -14.252 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.744 8.257 -13.096 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.250 8.053 -14.017 1.00 0.00 H new ATOM 505 N SER A 30 -13.189 10.505 -11.800 1.00 0.00 N ATOM 506 CA SER A 30 -12.842 10.196 -10.451 1.00 0.00 C ATOM 507 C SER A 30 -12.017 8.932 -10.498 1.00 0.00 C ATOM 508 O SER A 30 -12.530 7.810 -10.386 1.00 0.00 O ATOM 509 CB SER A 30 -14.075 10.039 -9.539 1.00 0.00 C ATOM 510 OG SER A 30 -13.692 9.956 -8.174 1.00 0.00 O ATOM 0 H SER A 30 -12.907 9.782 -12.462 1.00 0.00 H new ATOM 0 HA SER A 30 -12.277 11.018 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.747 10.886 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.628 9.143 -9.820 1.00 0.00 H new ATOM 0 HG SER A 30 -14.491 9.858 -7.615 1.00 0.00 H new ATOM 516 N VAL A 31 -10.779 9.110 -10.829 1.00 0.00 N ATOM 517 CA VAL A 31 -9.846 8.026 -10.938 1.00 0.00 C ATOM 518 C VAL A 31 -9.034 7.978 -9.673 1.00 0.00 C ATOM 519 O VAL A 31 -8.469 8.990 -9.277 1.00 0.00 O ATOM 520 CB VAL A 31 -8.891 8.232 -12.139 1.00 0.00 C ATOM 521 CG1 VAL A 31 -7.938 7.069 -12.286 1.00 0.00 C ATOM 522 CG2 VAL A 31 -9.665 8.449 -13.419 1.00 0.00 C ATOM 0 H VAL A 31 -10.378 10.025 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.395 7.097 -11.091 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.303 9.128 -11.940 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.280 7.243 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.340 6.972 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.505 6.152 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.969 8.591 -14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.291 7.579 -13.617 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.294 9.334 -13.318 1.00 0.00 H new ATOM 532 N GLU A 32 -9.026 6.851 -9.027 1.00 0.00 N ATOM 533 CA GLU A 32 -8.256 6.669 -7.832 1.00 0.00 C ATOM 534 C GLU A 32 -7.372 5.455 -8.011 1.00 0.00 C ATOM 535 O GLU A 32 -7.788 4.309 -7.810 1.00 0.00 O ATOM 536 CB GLU A 32 -9.164 6.564 -6.597 1.00 0.00 C ATOM 537 CG GLU A 32 -10.031 7.804 -6.402 1.00 0.00 C ATOM 538 CD GLU A 32 -10.986 7.711 -5.250 1.00 0.00 C ATOM 539 OE1 GLU A 32 -12.076 7.131 -5.414 1.00 0.00 O ATOM 540 OE2 GLU A 32 -10.692 8.239 -4.154 1.00 0.00 O ATOM 0 H GLU A 32 -9.555 6.028 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.621 7.538 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.805 5.688 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.549 6.411 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.382 8.667 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.598 7.985 -7.315 1.00 0.00 H new ATOM 547 N LYS A 33 -6.188 5.707 -8.485 1.00 0.00 N ATOM 548 CA LYS A 33 -5.240 4.665 -8.756 1.00 0.00 C ATOM 549 C LYS A 33 -4.214 4.595 -7.678 1.00 0.00 C ATOM 550 O LYS A 33 -3.951 5.577 -6.979 1.00 0.00 O ATOM 551 CB LYS A 33 -4.552 4.853 -10.102 1.00 0.00 C ATOM 552 CG LYS A 33 -5.451 4.661 -11.300 1.00 0.00 C ATOM 553 CD LYS A 33 -4.698 4.889 -12.609 1.00 0.00 C ATOM 554 CE LYS A 33 -3.516 3.938 -12.776 1.00 0.00 C ATOM 555 NZ LYS A 33 -3.932 2.519 -12.786 1.00 0.00 N ATOM 0 H LYS A 33 -5.850 6.646 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.799 3.730 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.126 5.856 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.721 4.151 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.864 3.652 -11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.293 5.351 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.384 4.761 -13.446 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.340 5.918 -12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.996 4.168 -13.706 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.805 4.100 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.115 1.919 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.297 2.257 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.677 2.381 -13.498 1.00 0.00 H new ATOM 569 N TYR A 34 -3.625 3.460 -7.560 1.00 0.00 N ATOM 570 CA TYR A 34 -2.648 3.218 -6.563 1.00 0.00 C ATOM 571 C TYR A 34 -1.339 2.975 -7.255 1.00 0.00 C ATOM 572 O TYR A 34 -1.294 2.276 -8.267 1.00 0.00 O ATOM 573 CB TYR A 34 -3.091 2.038 -5.684 1.00 0.00 C ATOM 574 CG TYR A 34 -4.441 2.307 -5.033 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.520 3.023 -3.854 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.634 1.893 -5.626 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.736 3.328 -3.280 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.858 2.189 -5.049 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.898 2.910 -3.876 1.00 0.00 C ATOM 580 OH TYR A 34 -8.109 3.229 -3.304 1.00 0.00 O ATOM 0 H TYR A 34 -3.812 2.660 -8.164 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.529 4.072 -5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.151 1.134 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.343 1.856 -4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.611 3.350 -3.372 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.603 1.333 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.773 3.896 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.774 1.857 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.835 2.860 -3.849 1.00 0.00 H new ATOM 590 N VAL A 35 -0.306 3.621 -6.768 1.00 0.00 N ATOM 591 CA VAL A 35 1.006 3.536 -7.372 1.00 0.00 C ATOM 592 C VAL A 35 1.597 2.113 -7.231 1.00 0.00 C ATOM 593 O VAL A 35 1.298 1.382 -6.284 1.00 0.00 O ATOM 594 CB VAL A 35 1.967 4.608 -6.767 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.297 4.309 -5.329 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.225 4.810 -7.600 1.00 0.00 C ATOM 0 H VAL A 35 -0.349 4.220 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 35 0.898 3.743 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 35 1.426 5.554 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.968 5.076 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.380 4.298 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.783 3.335 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.855 5.566 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.773 3.870 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.949 5.138 -8.602 1.00 0.00 H new ATOM 606 N LEU A 36 2.430 1.755 -8.179 1.00 0.00 N ATOM 607 CA LEU A 36 3.044 0.444 -8.256 1.00 0.00 C ATOM 608 C LEU A 36 4.264 0.319 -7.318 1.00 0.00 C ATOM 609 O LEU A 36 4.849 -0.762 -7.182 1.00 0.00 O ATOM 610 CB LEU A 36 3.445 0.144 -9.710 1.00 0.00 C ATOM 611 CG LEU A 36 3.966 -1.266 -10.011 1.00 0.00 C ATOM 612 CD1 LEU A 36 2.881 -2.310 -9.788 1.00 0.00 C ATOM 613 CD2 LEU A 36 4.498 -1.341 -11.423 1.00 0.00 C ATOM 0 H LEU A 36 2.708 2.379 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 36 2.311 -0.290 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.579 0.328 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.213 0.859 -10.004 1.00 0.00 H new ATOM 0 HG LEU A 36 4.782 -1.481 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.278 -3.301 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.550 -2.275 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.036 -2.103 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.864 -2.348 -11.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.700 -1.100 -12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.314 -0.628 -11.543 1.00 0.00 H new ATOM 625 N THR A 37 4.637 1.396 -6.658 1.00 0.00 N ATOM 626 CA THR A 37 5.822 1.350 -5.842 1.00 0.00 C ATOM 627 C THR A 37 5.439 0.906 -4.429 1.00 0.00 C ATOM 628 O THR A 37 4.320 1.138 -3.967 1.00 0.00 O ATOM 629 CB THR A 37 6.563 2.736 -5.815 1.00 0.00 C ATOM 630 OG1 THR A 37 7.835 2.634 -5.168 1.00 0.00 O ATOM 631 CG2 THR A 37 5.746 3.803 -5.100 1.00 0.00 C ATOM 0 H THR A 37 4.148 2.291 -6.671 1.00 0.00 H new ATOM 0 HA THR A 37 6.517 0.630 -6.274 1.00 0.00 H new ATOM 0 HB THR A 37 6.700 3.026 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.505 2.320 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.295 4.745 -5.104 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.793 3.936 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.564 3.493 -4.071 1.00 0.00 H new ATOM 639 N SER A 38 6.343 0.229 -3.777 1.00 0.00 N ATOM 640 CA SER A 38 6.076 -0.329 -2.478 1.00 0.00 C ATOM 641 C SER A 38 7.170 0.037 -1.464 1.00 0.00 C ATOM 642 O SER A 38 7.387 -0.680 -0.493 1.00 0.00 O ATOM 643 CB SER A 38 5.924 -1.841 -2.620 1.00 0.00 C ATOM 644 OG SER A 38 4.935 -2.157 -3.604 1.00 0.00 O ATOM 0 H SER A 38 7.283 0.048 -4.129 1.00 0.00 H new ATOM 0 HA SER A 38 5.150 0.094 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.880 -2.283 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.642 -2.275 -1.661 1.00 0.00 H new ATOM 0 HG SER A 38 4.852 -3.130 -3.683 1.00 0.00 H new ATOM 650 N HIS A 39 7.854 1.151 -1.700 1.00 0.00 N ATOM 651 CA HIS A 39 8.936 1.593 -0.802 1.00 0.00 C ATOM 652 C HIS A 39 8.443 1.868 0.631 1.00 0.00 C ATOM 653 O HIS A 39 7.607 2.762 0.878 1.00 0.00 O ATOM 654 CB HIS A 39 9.728 2.781 -1.376 1.00 0.00 C ATOM 655 CG HIS A 39 10.671 2.397 -2.492 1.00 0.00 C ATOM 656 ND1 HIS A 39 12.036 2.431 -2.362 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.435 1.979 -3.756 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.596 2.054 -3.489 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.645 1.770 -4.354 1.00 0.00 N ATOM 0 H HIS A 39 7.687 1.766 -2.496 1.00 0.00 H new ATOM 0 HA HIS A 39 9.630 0.755 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.027 3.530 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.299 3.248 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.466 1.836 -4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.658 1.988 -3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.788 1.448 -5.311 1.00 0.00 H new ATOM 668 N VAL A 40 8.975 1.091 1.556 1.00 0.00 N ATOM 669 CA VAL A 40 8.572 1.120 2.955 1.00 0.00 C ATOM 670 C VAL A 40 9.454 2.021 3.810 1.00 0.00 C ATOM 671 O VAL A 40 10.599 2.312 3.462 1.00 0.00 O ATOM 672 CB VAL A 40 8.533 -0.313 3.585 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.445 -1.152 2.949 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.880 -1.021 3.450 1.00 0.00 C ATOM 0 H VAL A 40 9.709 0.412 1.357 1.00 0.00 H new ATOM 0 HA VAL A 40 7.565 1.537 2.952 1.00 0.00 H new ATOM 0 HB VAL A 40 8.314 -0.194 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.437 -2.143 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.478 -0.674 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.635 -1.244 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.816 -2.013 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.137 -1.115 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.649 -0.441 3.961 1.00 0.00 H new ATOM 684 N SER A 41 8.891 2.482 4.892 1.00 0.00 N ATOM 685 CA SER A 41 9.571 3.259 5.879 1.00 0.00 C ATOM 686 C SER A 41 9.409 2.547 7.232 1.00 0.00 C ATOM 687 O SER A 41 8.427 1.834 7.445 1.00 0.00 O ATOM 688 CB SER A 41 8.977 4.658 5.899 1.00 0.00 C ATOM 689 OG SER A 41 9.080 5.241 4.605 1.00 0.00 O ATOM 0 H SER A 41 7.909 2.318 5.115 1.00 0.00 H new ATOM 0 HA SER A 41 10.634 3.354 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.932 4.616 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.500 5.275 6.629 1.00 0.00 H new ATOM 0 HG SER A 41 8.695 6.142 4.621 1.00 0.00 H new ATOM 695 N LYS A 42 10.357 2.715 8.121 1.00 0.00 N ATOM 696 CA LYS A 42 10.371 1.961 9.368 1.00 0.00 C ATOM 697 C LYS A 42 9.747 2.714 10.536 1.00 0.00 C ATOM 698 O LYS A 42 9.567 2.144 11.609 1.00 0.00 O ATOM 699 CB LYS A 42 11.810 1.568 9.724 1.00 0.00 C ATOM 700 CG LYS A 42 12.532 0.754 8.650 1.00 0.00 C ATOM 701 CD LYS A 42 11.855 -0.589 8.377 1.00 0.00 C ATOM 702 CE LYS A 42 11.900 -1.524 9.586 1.00 0.00 C ATOM 703 NZ LYS A 42 13.283 -1.819 10.015 1.00 0.00 N ATOM 0 H LYS A 42 11.134 3.367 8.012 1.00 0.00 H new ATOM 0 HA LYS A 42 9.761 1.073 9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.382 2.475 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.797 0.993 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.571 1.332 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.562 0.581 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.817 -0.418 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.342 -1.072 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.354 -1.071 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.391 -2.456 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.275 -2.605 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.854 -2.084 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.695 -0.976 10.464 1.00 0.00 H new ATOM 717 N ASN A 43 9.399 3.957 10.348 1.00 0.00 N ATOM 718 CA ASN A 43 8.893 4.737 11.470 1.00 0.00 C ATOM 719 C ASN A 43 7.414 4.992 11.330 1.00 0.00 C ATOM 720 O ASN A 43 6.906 5.137 10.209 1.00 0.00 O ATOM 721 CB ASN A 43 9.662 6.066 11.637 1.00 0.00 C ATOM 722 CG ASN A 43 11.136 5.879 11.984 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.521 5.832 13.158 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.971 5.788 10.980 1.00 0.00 N ATOM 0 H ASN A 43 9.450 4.452 9.457 1.00 0.00 H new ATOM 0 HA ASN A 43 9.056 4.146 12.372 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.585 6.639 10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.185 6.656 12.419 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.969 5.675 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.623 5.830 10.022 1.00 0.00 H new ATOM 731 N ARG A 44 6.718 5.011 12.451 1.00 0.00 N ATOM 732 CA ARG A 44 5.299 5.306 12.468 1.00 0.00 C ATOM 733 C ARG A 44 5.070 6.799 12.252 1.00 0.00 C ATOM 734 O ARG A 44 5.552 7.624 13.048 1.00 0.00 O ATOM 735 CB ARG A 44 4.639 4.873 13.789 1.00 0.00 C ATOM 736 CG ARG A 44 4.543 3.374 14.010 1.00 0.00 C ATOM 737 CD ARG A 44 3.730 3.062 15.262 1.00 0.00 C ATOM 738 NE ARG A 44 3.461 1.620 15.431 1.00 0.00 N ATOM 739 CZ ARG A 44 2.241 1.090 15.685 1.00 0.00 C ATOM 740 NH1 ARG A 44 1.150 1.854 15.616 1.00 0.00 N ATOM 741 NH2 ARG A 44 2.112 -0.206 15.964 1.00 0.00 N ATOM 0 H ARG A 44 7.118 4.823 13.370 1.00 0.00 H new ATOM 0 HA ARG A 44 4.840 4.739 11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.200 5.310 14.615 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.634 5.294 13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.079 2.903 13.143 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.543 2.951 14.106 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.265 3.431 16.137 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.783 3.600 15.217 1.00 0.00 H new ATOM 0 HE ARG A 44 4.250 0.978 15.351 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.233 2.841 15.371 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.233 1.452 15.808 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.936 -0.807 15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.189 -0.597 16.154 1.00 0.00 H new ATOM 755 N PRO A 45 4.387 7.178 11.160 1.00 0.00 N ATOM 756 CA PRO A 45 4.061 8.582 10.870 1.00 0.00 C ATOM 757 C PRO A 45 3.124 9.159 11.924 1.00 0.00 C ATOM 758 O PRO A 45 2.109 8.541 12.270 1.00 0.00 O ATOM 759 CB PRO A 45 3.338 8.512 9.519 1.00 0.00 C ATOM 760 CG PRO A 45 3.736 7.204 8.946 1.00 0.00 C ATOM 761 CD PRO A 45 3.893 6.281 10.105 1.00 0.00 C ATOM 0 HA PRO A 45 4.946 9.218 10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.257 8.577 9.645 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.633 9.335 8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.980 6.835 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.667 7.290 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.949 5.811 10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.598 5.478 9.892 1.00 0.00 H new ATOM 769 N LYS A 46 3.458 10.318 12.438 1.00 0.00 N ATOM 770 CA LYS A 46 2.656 10.960 13.470 1.00 0.00 C ATOM 771 C LYS A 46 1.388 11.529 12.873 1.00 0.00 C ATOM 772 O LYS A 46 0.270 11.236 13.328 1.00 0.00 O ATOM 773 CB LYS A 46 3.439 12.081 14.146 1.00 0.00 C ATOM 774 CG LYS A 46 4.671 11.631 14.916 1.00 0.00 C ATOM 775 CD LYS A 46 5.446 12.825 15.473 1.00 0.00 C ATOM 776 CE LYS A 46 4.591 13.679 16.408 1.00 0.00 C ATOM 777 NZ LYS A 46 5.325 14.853 16.920 1.00 0.00 N ATOM 0 H LYS A 46 4.286 10.845 12.160 1.00 0.00 H new ATOM 0 HA LYS A 46 2.402 10.205 14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.747 12.799 13.385 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.773 12.607 14.830 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.372 10.976 15.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.319 11.048 14.261 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.324 12.468 16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.806 13.440 14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.699 14.013 15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.254 13.070 17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.706 15.402 17.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.162 14.535 17.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.625 15.450 16.123 1.00 0.00 H new ATOM 791 N ASN A 47 1.556 12.317 11.851 1.00 0.00 N ATOM 792 CA ASN A 47 0.450 12.960 11.210 1.00 0.00 C ATOM 793 C ASN A 47 0.478 12.665 9.732 1.00 0.00 C ATOM 794 O ASN A 47 1.301 13.224 8.988 1.00 0.00 O ATOM 795 CB ASN A 47 0.479 14.476 11.455 1.00 0.00 C ATOM 796 CG ASN A 47 -0.761 15.185 10.930 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.746 15.366 11.658 1.00 0.00 O ATOM 798 ND2 ASN A 47 -0.728 15.599 9.691 1.00 0.00 N ATOM 0 H ASN A 47 2.465 12.531 11.440 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.475 12.570 11.636 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.573 14.664 12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.363 14.899 10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.531 16.089 9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.100 15.433 9.120 1.00 0.00 H new ATOM 805 N ALA A 48 -0.354 11.743 9.333 1.00 0.00 N ATOM 806 CA ALA A 48 -0.527 11.358 7.962 1.00 0.00 C ATOM 807 C ALA A 48 -1.764 10.521 7.896 1.00 0.00 C ATOM 808 O ALA A 48 -2.224 10.021 8.942 1.00 0.00 O ATOM 809 CB ALA A 48 0.665 10.551 7.463 1.00 0.00 C ATOM 0 H ALA A 48 -0.950 11.222 9.976 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.609 12.244 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.506 10.273 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.571 11.152 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.772 9.650 8.066 1.00 0.00 H new ATOM 815 N ILE A 49 -2.318 10.373 6.733 1.00 0.00 N ATOM 816 CA ILE A 49 -3.471 9.536 6.575 1.00 0.00 C ATOM 817 C ILE A 49 -2.997 8.102 6.407 1.00 0.00 C ATOM 818 O ILE A 49 -2.163 7.811 5.535 1.00 0.00 O ATOM 819 CB ILE A 49 -4.337 9.959 5.352 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.795 11.430 5.481 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.545 9.029 5.182 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.631 11.736 6.717 1.00 0.00 C ATOM 0 H ILE A 49 -1.992 10.821 5.877 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.101 9.635 7.459 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.716 9.872 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.913 12.070 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.373 11.694 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.132 9.348 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.199 8.007 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.164 9.070 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.904 12.791 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.535 11.127 6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.053 11.509 7.613 1.00 0.00 H new ATOM 834 N VAL A 50 -3.465 7.232 7.262 1.00 0.00 N ATOM 835 CA VAL A 50 -3.113 5.843 7.166 1.00 0.00 C ATOM 836 C VAL A 50 -4.311 5.047 6.696 1.00 0.00 C ATOM 837 O VAL A 50 -5.455 5.345 7.067 1.00 0.00 O ATOM 838 CB VAL A 50 -2.533 5.243 8.494 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.289 5.997 8.939 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.570 5.203 9.614 1.00 0.00 C ATOM 0 H VAL A 50 -4.092 7.462 8.033 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.306 5.772 6.437 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.253 4.212 8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.909 5.559 9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.526 5.929 8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.540 7.044 9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.120 4.780 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.917 6.215 9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.414 4.586 9.306 1.00 0.00 H new ATOM 850 N ILE A 51 -4.072 4.109 5.831 1.00 0.00 N ATOM 851 CA ILE A 51 -5.117 3.251 5.331 1.00 0.00 C ATOM 852 C ILE A 51 -4.672 1.810 5.542 1.00 0.00 C ATOM 853 O ILE A 51 -3.589 1.443 5.134 1.00 0.00 O ATOM 854 CB ILE A 51 -5.394 3.498 3.817 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.620 4.998 3.536 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.620 2.706 3.387 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.847 5.334 2.074 1.00 0.00 C ATOM 0 H ILE A 51 -3.148 3.912 5.448 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.042 3.463 5.867 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.524 3.169 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.481 5.338 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.756 5.557 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.812 2.880 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.444 1.643 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.483 3.027 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.997 6.408 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.978 5.029 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.730 4.806 1.712 1.00 0.00 H new ATOM 869 N LYS A 52 -5.479 1.022 6.192 1.00 0.00 N ATOM 870 CA LYS A 52 -5.126 -0.353 6.508 1.00 0.00 C ATOM 871 C LYS A 52 -5.319 -1.246 5.268 1.00 0.00 C ATOM 872 O LYS A 52 -6.209 -0.978 4.455 1.00 0.00 O ATOM 873 CB LYS A 52 -5.982 -0.834 7.680 1.00 0.00 C ATOM 874 CG LYS A 52 -5.583 -2.180 8.258 1.00 0.00 C ATOM 875 CD LYS A 52 -6.510 -2.602 9.394 1.00 0.00 C ATOM 876 CE LYS A 52 -6.476 -1.622 10.565 1.00 0.00 C ATOM 877 NZ LYS A 52 -7.414 -2.014 11.632 1.00 0.00 N ATOM 0 H LYS A 52 -6.402 1.304 6.522 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.077 -0.411 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.937 -0.088 8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.020 -0.890 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.604 -2.935 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.558 -2.130 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.530 -2.680 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.223 -3.593 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.465 -1.573 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.726 -0.622 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.363 -1.325 12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.382 -2.036 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.160 -2.958 11.988 1.00 0.00 H new ATOM 891 N MET A 53 -4.515 -2.336 5.175 1.00 0.00 N ATOM 892 CA MET A 53 -4.450 -3.266 3.996 1.00 0.00 C ATOM 893 C MET A 53 -5.824 -3.688 3.496 1.00 0.00 C ATOM 894 O MET A 53 -6.044 -3.847 2.286 1.00 0.00 O ATOM 895 CB MET A 53 -3.698 -4.563 4.345 1.00 0.00 C ATOM 896 CG MET A 53 -2.255 -4.427 4.793 1.00 0.00 C ATOM 897 SD MET A 53 -1.521 -6.055 5.100 1.00 0.00 S ATOM 898 CE MET A 53 0.120 -5.615 5.642 1.00 0.00 C ATOM 0 H MET A 53 -3.879 -2.606 5.925 1.00 0.00 H new ATOM 0 HA MET A 53 -3.932 -2.698 3.223 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.251 -5.072 5.135 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.721 -5.213 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.680 -3.902 4.030 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.206 -3.824 5.700 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.481 -6.360 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.789 -5.577 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.094 -4.638 6.125 1.00 0.00 H new ATOM 908 N ASP A 54 -6.728 -3.871 4.429 1.00 0.00 N ATOM 909 CA ASP A 54 -8.085 -4.343 4.160 1.00 0.00 C ATOM 910 C ASP A 54 -8.843 -3.446 3.181 1.00 0.00 C ATOM 911 O ASP A 54 -9.545 -3.936 2.306 1.00 0.00 O ATOM 912 CB ASP A 54 -8.869 -4.465 5.464 1.00 0.00 C ATOM 913 CG ASP A 54 -10.287 -4.952 5.254 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.506 -6.175 5.227 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.210 -4.116 5.133 1.00 0.00 O ATOM 0 H ASP A 54 -6.548 -3.696 5.417 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.989 -5.322 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.349 -5.152 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.893 -3.495 5.960 1.00 0.00 H new ATOM 920 N ASN A 55 -8.636 -2.152 3.291 1.00 0.00 N ATOM 921 CA ASN A 55 -9.385 -1.174 2.490 1.00 0.00 C ATOM 922 C ASN A 55 -8.911 -1.165 1.036 1.00 0.00 C ATOM 923 O ASN A 55 -9.652 -0.802 0.117 1.00 0.00 O ATOM 924 CB ASN A 55 -9.225 0.229 3.096 1.00 0.00 C ATOM 925 CG ASN A 55 -10.098 1.287 2.430 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.226 1.515 2.847 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.582 1.967 1.425 1.00 0.00 N ATOM 0 H ASN A 55 -7.954 -1.739 3.927 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.436 -1.462 2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.467 0.186 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.181 0.531 3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.126 2.704 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.639 1.756 1.097 1.00 0.00 H new ATOM 934 N LEU A 56 -7.694 -1.580 0.827 1.00 0.00 N ATOM 935 CA LEU A 56 -7.106 -1.547 -0.488 1.00 0.00 C ATOM 936 C LEU A 56 -7.487 -2.790 -1.272 1.00 0.00 C ATOM 937 O LEU A 56 -7.616 -3.867 -0.684 1.00 0.00 O ATOM 938 CB LEU A 56 -5.568 -1.408 -0.426 1.00 0.00 C ATOM 939 CG LEU A 56 -4.987 -0.111 0.174 1.00 0.00 C ATOM 940 CD1 LEU A 56 -5.567 1.128 -0.483 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.147 -0.064 1.675 1.00 0.00 C ATOM 0 H LEU A 56 -7.083 -1.949 1.555 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.499 -0.668 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.179 -2.247 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.181 -1.511 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.918 -0.119 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.130 2.018 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.340 1.115 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.648 1.142 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.725 0.865 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.206 -0.113 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.626 -0.910 2.123 1.00 0.00 H new ATOM 953 N PRO A 57 -7.692 -2.661 -2.604 1.00 0.00 N ATOM 954 CA PRO A 57 -8.037 -3.795 -3.481 1.00 0.00 C ATOM 955 C PRO A 57 -6.944 -4.871 -3.497 1.00 0.00 C ATOM 956 O PRO A 57 -5.790 -4.620 -3.070 1.00 0.00 O ATOM 957 CB PRO A 57 -8.154 -3.155 -4.867 1.00 0.00 C ATOM 958 CG PRO A 57 -8.374 -1.713 -4.612 1.00 0.00 C ATOM 959 CD PRO A 57 -7.620 -1.397 -3.363 1.00 0.00 C ATOM 0 HA PRO A 57 -8.943 -4.301 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.250 -3.318 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.981 -3.586 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.017 -1.110 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.435 -1.495 -4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.590 -1.111 -3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.074 -0.571 -2.816 1.00 0.00 H new ATOM 967 N ILE A 58 -7.283 -6.051 -4.012 1.00 0.00 N ATOM 968 CA ILE A 58 -6.362 -7.186 -4.032 1.00 0.00 C ATOM 969 C ILE A 58 -5.057 -6.891 -4.751 1.00 0.00 C ATOM 970 O ILE A 58 -4.038 -7.474 -4.417 1.00 0.00 O ATOM 971 CB ILE A 58 -7.011 -8.542 -4.499 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.706 -8.463 -5.883 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.974 -9.075 -3.450 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.777 -8.428 -7.085 1.00 0.00 C ATOM 0 H ILE A 58 -8.195 -6.247 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.108 -7.338 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.181 -9.239 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.370 -9.321 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.332 -7.571 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.408 -10.012 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.437 -9.248 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.768 -8.347 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.367 -8.373 -8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.129 -7.554 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.168 -9.332 -7.100 1.00 0.00 H new ATOM 986 N GLU A 59 -5.097 -5.969 -5.710 1.00 0.00 N ATOM 987 CA GLU A 59 -3.905 -5.535 -6.425 1.00 0.00 C ATOM 988 C GLU A 59 -2.881 -4.951 -5.473 1.00 0.00 C ATOM 989 O GLU A 59 -1.720 -5.324 -5.503 1.00 0.00 O ATOM 990 CB GLU A 59 -4.255 -4.511 -7.500 1.00 0.00 C ATOM 991 CG GLU A 59 -4.931 -5.105 -8.712 1.00 0.00 C ATOM 992 CD GLU A 59 -4.023 -6.052 -9.439 1.00 0.00 C ATOM 993 OE1 GLU A 59 -3.133 -5.583 -10.155 1.00 0.00 O ATOM 994 OE2 GLU A 59 -4.168 -7.282 -9.296 1.00 0.00 O ATOM 0 H GLU A 59 -5.954 -5.505 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.474 -6.414 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.907 -3.753 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.343 -4.004 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.835 -5.630 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.240 -4.306 -9.386 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.329 -4.082 -4.593 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.440 -3.438 -3.643 1.00 0.00 C ATOM 1003 C VAL A 60 -1.938 -4.465 -2.633 1.00 0.00 C ATOM 1004 O VAL A 60 -0.751 -4.508 -2.316 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.139 -2.277 -2.906 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.163 -1.549 -1.991 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.782 -1.312 -3.893 1.00 0.00 C ATOM 0 H VAL A 60 -4.307 -3.803 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.599 -3.022 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.930 -2.700 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.679 -0.735 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.768 -2.246 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.342 -1.144 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.268 -0.503 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.016 -0.898 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.523 -1.843 -4.490 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.851 -5.326 -2.175 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.516 -6.403 -1.220 1.00 0.00 C ATOM 1019 C LYS A 61 -1.430 -7.294 -1.826 1.00 0.00 C ATOM 1020 O LYS A 61 -0.495 -7.741 -1.145 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.740 -7.284 -0.935 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.996 -6.560 -0.484 1.00 0.00 C ATOM 1023 CD LYS A 61 -6.101 -7.574 -0.189 1.00 0.00 C ATOM 1024 CE LYS A 61 -7.471 -6.931 0.023 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.537 -6.041 1.203 1.00 0.00 N ATOM 0 H LYS A 61 -3.834 -5.303 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.176 -5.940 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.975 -7.847 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.469 -8.010 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.786 -5.968 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.324 -5.866 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.164 -8.283 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.833 -8.144 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.735 -6.359 -0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.218 -7.717 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.440 -5.525 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.467 -6.610 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.750 -5.362 1.170 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.573 -7.525 -3.115 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.654 -8.328 -3.906 1.00 0.00 C ATOM 1041 C ASP A 62 0.725 -7.690 -3.916 1.00 0.00 C ATOM 1042 O ASP A 62 1.728 -8.367 -3.691 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.183 -8.473 -5.343 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.321 -9.333 -6.233 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.471 -10.573 -6.212 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.511 -8.790 -6.976 1.00 0.00 O ATOM 0 H ASP A 62 -2.351 -7.151 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.577 -9.319 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.187 -8.897 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.271 -7.482 -5.788 1.00 0.00 H new ATOM 1051 N LYS A 63 0.767 -6.371 -4.126 1.00 0.00 N ATOM 1052 CA LYS A 63 2.021 -5.629 -4.162 1.00 0.00 C ATOM 1053 C LYS A 63 2.713 -5.710 -2.804 1.00 0.00 C ATOM 1054 O LYS A 63 3.927 -5.947 -2.720 1.00 0.00 O ATOM 1055 CB LYS A 63 1.777 -4.149 -4.516 1.00 0.00 C ATOM 1056 CG LYS A 63 0.933 -3.851 -5.779 1.00 0.00 C ATOM 1057 CD LYS A 63 1.491 -4.432 -7.090 1.00 0.00 C ATOM 1058 CE LYS A 63 1.078 -5.885 -7.271 1.00 0.00 C ATOM 1059 NZ LYS A 63 1.623 -6.519 -8.480 1.00 0.00 N ATOM 0 H LYS A 63 -0.062 -5.796 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 63 2.654 -6.075 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.289 -3.675 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.747 -3.667 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.073 -4.242 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.841 -2.770 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.132 -3.842 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.579 -4.358 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.400 -6.454 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.010 -5.941 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.456 -7.545 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.154 -6.125 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.645 -6.337 -8.537 1.00 0.00 H new ATOM 1073 N LEU A 64 1.926 -5.545 -1.752 1.00 0.00 N ATOM 1074 CA LEU A 64 2.421 -5.584 -0.382 1.00 0.00 C ATOM 1075 C LEU A 64 3.017 -6.953 -0.069 1.00 0.00 C ATOM 1076 O LEU A 64 4.084 -7.063 0.569 1.00 0.00 O ATOM 1077 CB LEU A 64 1.290 -5.267 0.609 1.00 0.00 C ATOM 1078 CG LEU A 64 0.547 -3.937 0.402 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.502 -3.733 1.477 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.509 -2.760 0.357 1.00 0.00 C ATOM 0 H LEU A 64 0.922 -5.380 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 64 3.200 -4.828 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.560 -6.076 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.708 -5.271 1.616 1.00 0.00 H new ATOM 0 HG LEU A 64 0.044 -3.989 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.015 -2.786 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.225 -4.548 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.022 -3.718 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.948 -1.837 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.059 -2.704 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.210 -2.894 -0.467 1.00 0.00 H new ATOM 1092 N THR A 65 2.345 -7.984 -0.540 1.00 0.00 N ATOM 1093 CA THR A 65 2.782 -9.342 -0.353 1.00 0.00 C ATOM 1094 C THR A 65 4.098 -9.602 -1.091 1.00 0.00 C ATOM 1095 O THR A 65 5.035 -10.134 -0.515 1.00 0.00 O ATOM 1096 CB THR A 65 1.678 -10.344 -0.793 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.468 -10.066 -0.053 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.106 -11.785 -0.529 1.00 0.00 C ATOM 0 H THR A 65 1.475 -7.897 -1.066 1.00 0.00 H new ATOM 0 HA THR A 65 2.965 -9.496 0.710 1.00 0.00 H new ATOM 0 HB THR A 65 1.508 -10.225 -1.863 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.013 -9.325 -0.478 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.314 -12.464 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.016 -12.002 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.294 -11.919 0.536 1.00 0.00 H new ATOM 1106 N ARG A 66 4.191 -9.150 -2.327 1.00 0.00 N ATOM 1107 CA ARG A 66 5.382 -9.402 -3.133 1.00 0.00 C ATOM 1108 C ARG A 66 6.591 -8.607 -2.651 1.00 0.00 C ATOM 1109 O ARG A 66 7.737 -9.010 -2.883 1.00 0.00 O ATOM 1110 CB ARG A 66 5.132 -9.124 -4.612 1.00 0.00 C ATOM 1111 CG ARG A 66 3.984 -9.916 -5.197 1.00 0.00 C ATOM 1112 CD ARG A 66 3.868 -9.708 -6.689 1.00 0.00 C ATOM 1113 NE ARG A 66 2.638 -10.283 -7.215 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.523 -11.381 -7.959 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.589 -12.087 -8.304 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.322 -11.765 -8.351 1.00 0.00 N ATOM 0 H ARG A 66 3.465 -8.610 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 66 5.608 -10.461 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.932 -8.061 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.039 -9.349 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.128 -10.976 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.053 -9.619 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.896 -8.641 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.725 -10.161 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 66 1.773 -9.792 -6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.517 -11.792 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.482 -12.926 -8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.501 -11.223 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.216 -12.604 -8.922 1.00 0.00 H new ATOM 1130 N PHE A 67 6.365 -7.490 -1.993 1.00 0.00 N ATOM 1131 CA PHE A 67 7.482 -6.702 -1.541 1.00 0.00 C ATOM 1132 C PHE A 67 7.963 -7.191 -0.181 1.00 0.00 C ATOM 1133 O PHE A 67 9.091 -7.662 -0.046 1.00 0.00 O ATOM 1134 CB PHE A 67 7.113 -5.208 -1.471 1.00 0.00 C ATOM 1135 CG PHE A 67 8.296 -4.267 -1.284 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.783 -3.941 -0.019 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.911 -3.699 -2.389 1.00 0.00 C ATOM 1138 CE1 PHE A 67 9.846 -3.077 0.129 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.974 -2.834 -2.238 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.441 -2.523 -0.980 1.00 0.00 C ATOM 0 H PHE A 67 5.443 -7.118 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 67 8.290 -6.819 -2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.590 -4.934 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.414 -5.059 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.321 -4.372 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.553 -3.937 -3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.212 -2.835 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.442 -2.399 -3.109 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.274 -1.845 -0.865 1.00 0.00 H new ATOM 1150 N PHE A 68 7.090 -7.143 0.803 1.00 0.00 N ATOM 1151 CA PHE A 68 7.500 -7.436 2.162 1.00 0.00 C ATOM 1152 C PHE A 68 6.763 -8.605 2.816 1.00 0.00 C ATOM 1153 O PHE A 68 7.387 -9.451 3.452 1.00 0.00 O ATOM 1154 CB PHE A 68 7.426 -6.166 3.047 1.00 0.00 C ATOM 1155 CG PHE A 68 6.076 -5.491 3.078 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.117 -5.865 4.006 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.768 -4.493 2.170 1.00 0.00 C ATOM 1158 CE1 PHE A 68 3.884 -5.262 4.022 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.540 -3.886 2.186 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.597 -4.272 3.107 1.00 0.00 C ATOM 0 H PHE A 68 6.104 -6.907 0.691 1.00 0.00 H new ATOM 0 HA PHE A 68 8.537 -7.764 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.706 -6.434 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.166 -5.449 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.342 -6.639 4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.504 -4.189 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.143 -5.562 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.314 -3.105 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.627 -3.798 3.114 1.00 0.00 H new ATOM 1170 N LEU A 69 5.457 -8.691 2.616 1.00 0.00 N ATOM 1171 CA LEU A 69 4.617 -9.623 3.386 1.00 0.00 C ATOM 1172 C LEU A 69 4.716 -11.087 2.891 1.00 0.00 C ATOM 1173 O LEU A 69 3.948 -11.955 3.305 1.00 0.00 O ATOM 1174 CB LEU A 69 3.156 -9.101 3.431 1.00 0.00 C ATOM 1175 CG LEU A 69 2.164 -9.850 4.328 1.00 0.00 C ATOM 1176 CD1 LEU A 69 2.564 -9.743 5.793 1.00 0.00 C ATOM 1177 CD2 LEU A 69 0.754 -9.325 4.109 1.00 0.00 C ATOM 0 H LEU A 69 4.948 -8.132 1.931 1.00 0.00 H new ATOM 0 HA LEU A 69 5.001 -9.653 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.181 -8.060 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.764 -9.111 2.414 1.00 0.00 H new ATOM 0 HG LEU A 69 2.184 -10.905 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.843 -10.283 6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.555 -10.175 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.580 -8.694 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.060 -9.866 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.720 -8.263 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.470 -9.469 3.067 1.00 0.00 H new