USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 53 LYS NZ :NH3+ 144:sc= 0.115 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.111 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0402) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.432 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -0.0627 (180deg=-0.353) USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.158 (180deg=-1.29!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.781 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.2) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 51 SER OG : rot -11:sc= 0.829 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -17:sc= 0.048 USER MOD Single : A 62 GLN : amide:sc= -0.59 X(o=-0.59,f=-1) USER MOD Single : A 68 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.7!) USER MOD Single : A 69 ASN : amide:sc= -0.0429 K(o=-0.043,f=-0.85) USER MOD Single : A 70 CYS SG : rot 37:sc= -0.847 USER MOD Single : A 71 GLN : amide:sc= -3.66! K(o=-3.7!,f=-1) USER MOD Single : A 76 SER OG : rot -140:sc=-0.000412 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 98:sc= 0.711 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 0.505 (180deg=0.251) USER MOD Single : A 87 CYS SG : rot -120:sc= -1.32 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 97:sc= 0.878 USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 9 -12.059 -1.031 -8.964 1.00 0.00 N ATOM 77 CA ALA A 9 -12.304 -0.752 -7.554 1.00 0.00 C ATOM 78 C ALA A 9 -11.338 0.303 -7.027 1.00 0.00 C ATOM 79 O ALA A 9 -11.682 1.090 -6.145 1.00 0.00 O ATOM 80 CB ALA A 9 -12.191 -2.030 -6.736 1.00 0.00 C ATOM 0 HA ALA A 9 -13.316 -0.360 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.376 -1.807 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.926 -2.754 -7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.190 -2.446 -6.848 1.00 0.00 H new ATOM 86 N PHE A 10 -10.126 0.314 -7.573 1.00 0.00 N ATOM 87 CA PHE A 10 -9.109 1.272 -7.156 1.00 0.00 C ATOM 88 C PHE A 10 -9.167 2.534 -8.012 1.00 0.00 C ATOM 89 O PHE A 10 -8.922 2.492 -9.217 1.00 0.00 O ATOM 90 CB PHE A 10 -7.717 0.643 -7.250 1.00 0.00 C ATOM 91 CG PHE A 10 -7.416 -0.315 -6.133 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.103 0.152 -4.867 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.447 -1.683 -6.350 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.825 -0.728 -3.838 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.171 -2.568 -5.325 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.861 -2.090 -4.067 1.00 0.00 C ATOM 0 H PHE A 10 -9.825 -0.329 -8.305 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.307 1.547 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.627 0.119 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.968 1.435 -7.250 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.076 1.216 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.690 -2.062 -7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.580 -0.351 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.198 -3.632 -5.508 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.647 -2.780 -3.264 1.00 0.00 H new ATOM 106 N ALA A 11 -9.494 3.656 -7.379 1.00 0.00 N ATOM 107 CA ALA A 11 -9.583 4.931 -8.081 1.00 0.00 C ATOM 108 C ALA A 11 -8.198 5.508 -8.350 1.00 0.00 C ATOM 109 O ALA A 11 -8.011 6.296 -9.278 1.00 0.00 O ATOM 110 CB ALA A 11 -10.422 5.917 -7.280 1.00 0.00 C ATOM 0 H ALA A 11 -9.702 3.708 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.067 4.755 -9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.480 6.865 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.426 5.515 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.962 6.079 -6.305 1.00 0.00 H new ATOM 116 N LYS A 12 -7.228 5.113 -7.532 1.00 0.00 N ATOM 117 CA LYS A 12 -5.859 5.590 -7.681 1.00 0.00 C ATOM 118 C LYS A 12 -4.860 4.520 -7.252 1.00 0.00 C ATOM 119 O LYS A 12 -4.715 4.233 -6.063 1.00 0.00 O ATOM 120 CB LYS A 12 -5.647 6.860 -6.854 1.00 0.00 C ATOM 121 CG LYS A 12 -4.550 7.762 -7.395 1.00 0.00 C ATOM 122 CD LYS A 12 -5.052 8.624 -8.541 1.00 0.00 C ATOM 123 CE LYS A 12 -3.900 9.193 -9.356 1.00 0.00 C ATOM 124 NZ LYS A 12 -3.291 8.166 -10.246 1.00 0.00 N ATOM 0 H LYS A 12 -7.366 4.463 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.693 5.817 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.581 7.420 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.403 6.580 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.175 8.401 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.712 7.154 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.699 8.031 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.658 9.440 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.258 10.029 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.139 9.588 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.616 8.623 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.794 7.458 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.038 7.699 -10.799 1.00 0.00 H new ATOM 138 N ILE A 13 -4.173 3.933 -8.227 1.00 0.00 N ATOM 139 CA ILE A 13 -3.187 2.897 -7.949 1.00 0.00 C ATOM 140 C ILE A 13 -1.861 3.505 -7.506 1.00 0.00 C ATOM 141 O ILE A 13 -1.608 4.692 -7.717 1.00 0.00 O ATOM 142 CB ILE A 13 -2.944 2.006 -9.181 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.476 2.853 -10.366 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.209 1.239 -9.539 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.863 2.041 -11.485 1.00 0.00 C ATOM 0 H ILE A 13 -4.282 4.158 -9.216 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.591 2.285 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.162 1.286 -8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.324 3.415 -10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.746 3.582 -10.015 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.021 0.614 -10.412 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.503 0.610 -8.699 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.010 1.943 -9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.554 2.707 -12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.995 1.500 -11.109 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.598 1.330 -11.863 1.00 0.00 H new ATOM 157 N LEU A 14 -1.016 2.684 -6.891 1.00 0.00 N ATOM 158 CA LEU A 14 0.287 3.140 -6.420 1.00 0.00 C ATOM 159 C LEU A 14 1.231 3.398 -7.590 1.00 0.00 C ATOM 160 O LEU A 14 1.092 2.797 -8.656 1.00 0.00 O ATOM 161 CB LEU A 14 0.900 2.105 -5.474 1.00 0.00 C ATOM 162 CG LEU A 14 0.020 1.660 -4.305 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.345 0.229 -3.908 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.194 2.598 -3.120 1.00 0.00 C ATOM 0 H LEU A 14 -1.210 1.700 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 14 0.143 4.076 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.169 1.224 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.826 2.515 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.022 1.699 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.291 -0.071 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.168 -0.433 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.391 0.163 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.440 2.266 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.236 2.592 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.090 3.609 -3.412 1.00 0.00 H new ATOM 176 N ASP A 15 2.190 4.293 -7.384 1.00 0.00 N ATOM 177 CA ASP A 15 3.159 4.628 -8.421 1.00 0.00 C ATOM 178 C ASP A 15 3.848 3.373 -8.947 1.00 0.00 C ATOM 179 O ASP A 15 3.939 2.352 -8.264 1.00 0.00 O ATOM 180 CB ASP A 15 4.202 5.607 -7.877 1.00 0.00 C ATOM 181 CG ASP A 15 3.713 7.042 -7.896 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.631 7.307 -7.333 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.413 7.899 -8.475 1.00 0.00 O ATOM 0 H ASP A 15 2.318 4.800 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 15 2.624 5.099 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.461 5.328 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.114 5.529 -8.469 1.00 0.00 H new ATOM 188 N PRO A 16 4.344 3.447 -10.191 1.00 0.00 N ATOM 189 CA PRO A 16 5.033 2.325 -10.837 1.00 0.00 C ATOM 190 C PRO A 16 6.391 2.039 -10.206 1.00 0.00 C ATOM 191 O PRO A 16 7.009 1.010 -10.481 1.00 0.00 O ATOM 192 CB PRO A 16 5.203 2.799 -12.282 1.00 0.00 C ATOM 193 CG PRO A 16 5.196 4.286 -12.197 1.00 0.00 C ATOM 194 CD PRO A 16 4.272 4.631 -11.062 1.00 0.00 C ATOM 0 HA PRO A 16 4.474 1.394 -10.743 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.135 2.432 -12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.394 2.435 -12.916 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.199 4.671 -12.015 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.849 4.729 -13.131 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.594 5.533 -10.541 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.256 4.811 -11.412 1.00 0.00 H new ATOM 202 N ALA A 17 6.851 2.954 -9.360 1.00 0.00 N ATOM 203 CA ALA A 17 8.135 2.798 -8.689 1.00 0.00 C ATOM 204 C ALA A 17 8.369 3.920 -7.682 1.00 0.00 C ATOM 205 O ALA A 17 8.194 5.097 -7.998 1.00 0.00 O ATOM 206 CB ALA A 17 9.263 2.760 -9.710 1.00 0.00 C ATOM 0 H ALA A 17 6.353 3.812 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 17 8.120 1.854 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.216 2.643 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.112 1.920 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.270 3.689 -10.279 1.00 0.00 H new ATOM 212 N TYR A 18 8.763 3.547 -6.470 1.00 0.00 N ATOM 213 CA TYR A 18 9.017 4.522 -5.415 1.00 0.00 C ATOM 214 C TYR A 18 10.509 4.619 -5.111 1.00 0.00 C ATOM 215 O TYR A 18 11.287 3.742 -5.484 1.00 0.00 O ATOM 216 CB TYR A 18 8.251 4.144 -4.147 1.00 0.00 C ATOM 217 CG TYR A 18 6.760 4.378 -4.247 1.00 0.00 C ATOM 218 CD1 TYR A 18 5.957 3.551 -5.024 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.155 5.426 -3.565 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.596 3.763 -5.119 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.793 5.644 -3.654 1.00 0.00 C ATOM 222 CZ TYR A 18 4.018 4.810 -4.432 1.00 0.00 C ATOM 223 OH TYR A 18 2.662 5.023 -4.523 1.00 0.00 O ATOM 0 H TYR A 18 8.914 2.577 -6.193 1.00 0.00 H new ATOM 0 HA TYR A 18 8.671 5.495 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.431 3.092 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.645 4.720 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.405 2.729 -5.562 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.759 6.081 -2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.987 3.112 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.338 6.463 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 18 2.416 5.799 -3.978 1.00 0.00 H new ATOM 233 N GLN A 19 10.899 5.692 -4.431 1.00 0.00 N ATOM 234 CA GLN A 19 12.297 5.905 -4.076 1.00 0.00 C ATOM 235 C GLN A 19 12.415 6.661 -2.757 1.00 0.00 C ATOM 236 O GLN A 19 11.868 7.753 -2.604 1.00 0.00 O ATOM 237 CB GLN A 19 13.015 6.676 -5.185 1.00 0.00 C ATOM 238 CG GLN A 19 12.998 5.966 -6.529 1.00 0.00 C ATOM 239 CD GLN A 19 13.303 6.897 -7.686 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.289 7.634 -7.661 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.456 6.869 -8.708 1.00 0.00 N ATOM 0 H GLN A 19 10.267 6.427 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 19 12.768 4.929 -3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.550 7.655 -5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.049 6.846 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.728 5.157 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.020 5.511 -6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.651 6.242 -8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.610 7.474 -9.515 1.00 0.00 H new ATOM 250 N VAL A 20 13.132 6.071 -1.805 1.00 0.00 N ATOM 251 CA VAL A 20 13.323 6.689 -0.498 1.00 0.00 C ATOM 252 C VAL A 20 14.737 6.455 0.019 1.00 0.00 C ATOM 253 O VAL A 20 15.435 5.549 -0.438 1.00 0.00 O ATOM 254 CB VAL A 20 12.315 6.146 0.532 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.654 4.711 0.905 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.284 7.034 1.766 1.00 0.00 C ATOM 0 H VAL A 20 13.590 5.166 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 20 13.159 7.759 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 20 11.322 6.154 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.931 4.344 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.620 4.085 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.654 4.674 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.566 6.635 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.274 7.060 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.989 8.044 1.480 1.00 0.00 H new ATOM 266 N ASP A 21 15.155 7.278 0.975 1.00 0.00 N ATOM 267 CA ASP A 21 16.487 7.160 1.557 1.00 0.00 C ATOM 268 C ASP A 21 16.550 5.993 2.537 1.00 0.00 C ATOM 269 O ASP A 21 15.548 5.630 3.153 1.00 0.00 O ATOM 270 CB ASP A 21 16.874 8.459 2.265 1.00 0.00 C ATOM 271 CG ASP A 21 17.486 9.474 1.320 1.00 0.00 C ATOM 272 OD1 ASP A 21 18.557 9.182 0.748 1.00 0.00 O ATOM 273 OD2 ASP A 21 16.893 10.559 1.151 1.00 0.00 O ATOM 0 H ASP A 21 14.591 8.034 1.363 1.00 0.00 H new ATOM 0 HA ASP A 21 17.194 6.971 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.990 8.891 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.582 8.237 3.063 1.00 0.00 H new ATOM 278 N LYS A 22 17.735 5.407 2.677 1.00 0.00 N ATOM 279 CA LYS A 22 17.931 4.281 3.582 1.00 0.00 C ATOM 280 C LYS A 22 17.387 4.599 4.971 1.00 0.00 C ATOM 281 O LYS A 22 17.282 5.763 5.356 1.00 0.00 O ATOM 282 CB LYS A 22 19.417 3.926 3.674 1.00 0.00 C ATOM 283 CG LYS A 22 19.689 2.641 4.436 1.00 0.00 C ATOM 284 CD LYS A 22 21.136 2.560 4.893 1.00 0.00 C ATOM 285 CE LYS A 22 22.017 1.908 3.838 1.00 0.00 C ATOM 286 NZ LYS A 22 21.714 0.459 3.680 1.00 0.00 N ATOM 0 H LYS A 22 18.575 5.694 2.174 1.00 0.00 H new ATOM 0 HA LYS A 22 17.384 3.427 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.823 3.834 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.948 4.745 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.029 2.584 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.458 1.785 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.507 3.562 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.195 1.990 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.876 2.415 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 22 23.065 2.032 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.540 -0.026 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 21.491 0.048 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.899 0.342 3.045 1.00 0.00 H new ATOM 300 N GLY A 23 17.043 3.555 5.720 1.00 0.00 N ATOM 301 CA GLY A 23 16.515 3.745 7.059 1.00 0.00 C ATOM 302 C GLY A 23 15.568 4.925 7.147 1.00 0.00 C ATOM 303 O GLY A 23 15.523 5.619 8.162 1.00 0.00 O ATOM 0 H GLY A 23 17.120 2.582 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.994 2.841 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.341 3.894 7.754 1.00 0.00 H new ATOM 307 N GLY A 24 14.810 5.155 6.079 1.00 0.00 N ATOM 308 CA GLY A 24 13.871 6.261 6.061 1.00 0.00 C ATOM 309 C GLY A 24 12.434 5.805 6.214 1.00 0.00 C ATOM 310 O GLY A 24 12.157 4.826 6.907 1.00 0.00 O ATOM 0 H GLY A 24 14.830 4.595 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.116 6.955 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.977 6.808 5.124 1.00 0.00 H new ATOM 314 N ARG A 25 11.516 6.517 5.569 1.00 0.00 N ATOM 315 CA ARG A 25 10.099 6.182 5.640 1.00 0.00 C ATOM 316 C ARG A 25 9.404 6.474 4.313 1.00 0.00 C ATOM 317 O ARG A 25 9.485 7.585 3.790 1.00 0.00 O ATOM 318 CB ARG A 25 9.423 6.966 6.766 1.00 0.00 C ATOM 319 CG ARG A 25 8.044 6.441 7.131 1.00 0.00 C ATOM 320 CD ARG A 25 7.290 7.423 8.013 1.00 0.00 C ATOM 321 NE ARG A 25 7.059 8.698 7.340 1.00 0.00 N ATOM 322 CZ ARG A 25 6.862 9.844 7.982 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.868 9.874 9.308 1.00 0.00 N ATOM 324 NH2 ARG A 25 6.659 10.963 7.299 1.00 0.00 N ATOM 0 H ARG A 25 11.728 7.330 4.991 1.00 0.00 H new ATOM 0 HA ARG A 25 10.014 5.115 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.059 6.937 7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.338 8.011 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.472 6.254 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.142 5.487 7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.334 6.988 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.854 7.594 8.930 1.00 0.00 H new ATOM 0 HE ARG A 25 7.048 8.709 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.024 9.016 9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.717 10.755 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.654 10.944 6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.508 11.842 7.794 1.00 0.00 H new ATOM 338 N VAL A 26 8.721 5.469 3.774 1.00 0.00 N ATOM 339 CA VAL A 26 8.011 5.618 2.510 1.00 0.00 C ATOM 340 C VAL A 26 6.548 5.979 2.740 1.00 0.00 C ATOM 341 O VAL A 26 6.020 5.801 3.837 1.00 0.00 O ATOM 342 CB VAL A 26 8.085 4.330 1.669 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.510 4.076 1.204 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.555 3.145 2.464 1.00 0.00 C ATOM 0 H VAL A 26 8.645 4.542 4.194 1.00 0.00 H new ATOM 0 HA VAL A 26 8.500 6.426 1.966 1.00 0.00 H new ATOM 0 HB VAL A 26 7.458 4.456 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.542 3.162 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.849 4.915 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.162 3.969 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.614 2.243 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.154 3.015 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.517 3.328 2.741 1.00 0.00 H new ATOM 354 N ARG A 27 5.899 6.487 1.698 1.00 0.00 N ATOM 355 CA ARG A 27 4.496 6.874 1.786 1.00 0.00 C ATOM 356 C ARG A 27 3.692 6.273 0.637 1.00 0.00 C ATOM 357 O ARG A 27 3.821 6.695 -0.512 1.00 0.00 O ATOM 358 CB ARG A 27 4.363 8.398 1.772 1.00 0.00 C ATOM 359 CG ARG A 27 2.923 8.884 1.747 1.00 0.00 C ATOM 360 CD ARG A 27 2.841 10.365 1.409 1.00 0.00 C ATOM 361 NE ARG A 27 3.207 10.630 0.020 1.00 0.00 N ATOM 362 CZ ARG A 27 3.455 11.846 -0.455 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.375 12.902 0.343 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.782 12.007 -1.731 1.00 0.00 N ATOM 0 H ARG A 27 6.322 6.640 0.783 1.00 0.00 H new ATOM 0 HA ARG A 27 4.098 6.489 2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.860 8.806 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.886 8.792 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.357 8.310 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.460 8.705 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.828 10.723 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.501 10.925 2.071 1.00 0.00 H new ATOM 0 HE ARG A 27 3.276 9.839 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.123 12.782 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.566 13.834 -0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.843 11.197 -2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.972 12.941 -2.095 1.00 0.00 H new ATOM 378 N PHE A 28 2.863 5.284 0.956 1.00 0.00 N ATOM 379 CA PHE A 28 2.040 4.623 -0.050 1.00 0.00 C ATOM 380 C PHE A 28 0.576 5.031 0.091 1.00 0.00 C ATOM 381 O PHE A 28 -0.064 4.747 1.103 1.00 0.00 O ATOM 382 CB PHE A 28 2.171 3.103 0.072 1.00 0.00 C ATOM 383 CG PHE A 28 3.529 2.586 -0.307 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.081 2.891 -1.541 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.254 1.795 0.570 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.331 2.417 -1.893 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.504 1.319 0.224 1.00 0.00 C ATOM 388 CZ PHE A 28 6.043 1.629 -1.010 1.00 0.00 C ATOM 0 H PHE A 28 2.744 4.923 1.903 1.00 0.00 H new ATOM 0 HA PHE A 28 2.393 4.934 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.953 2.809 1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.421 2.630 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.528 3.506 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.837 1.548 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.750 2.663 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.059 0.705 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.019 1.256 -1.283 1.00 0.00 H new ATOM 398 N VAL A 29 0.054 5.701 -0.931 1.00 0.00 N ATOM 399 CA VAL A 29 -1.334 6.149 -0.923 1.00 0.00 C ATOM 400 C VAL A 29 -2.134 5.481 -2.036 1.00 0.00 C ATOM 401 O VAL A 29 -1.641 5.307 -3.151 1.00 0.00 O ATOM 402 CB VAL A 29 -1.431 7.678 -1.082 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.885 8.114 -1.167 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.721 8.379 0.067 1.00 0.00 C ATOM 0 H VAL A 29 0.571 5.946 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.753 5.864 0.042 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.937 7.962 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.934 9.197 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.358 7.638 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.407 7.819 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.799 9.459 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.184 8.091 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.330 8.090 0.076 1.00 0.00 H new ATOM 414 N VAL A 30 -3.371 5.109 -1.726 1.00 0.00 N ATOM 415 CA VAL A 30 -4.242 4.461 -2.700 1.00 0.00 C ATOM 416 C VAL A 30 -5.684 4.930 -2.546 1.00 0.00 C ATOM 417 O VAL A 30 -6.152 5.175 -1.435 1.00 0.00 O ATOM 418 CB VAL A 30 -4.194 2.928 -2.563 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.884 2.382 -3.110 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.388 2.517 -1.111 1.00 0.00 C ATOM 0 H VAL A 30 -3.793 5.245 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.876 4.741 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.009 2.503 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.869 1.297 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.792 2.645 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.050 2.812 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.351 1.430 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.596 2.952 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.356 2.874 -0.758 1.00 0.00 H new ATOM 430 N GLU A 31 -6.384 5.053 -3.670 1.00 0.00 N ATOM 431 CA GLU A 31 -7.774 5.493 -3.659 1.00 0.00 C ATOM 432 C GLU A 31 -8.714 4.335 -3.983 1.00 0.00 C ATOM 433 O GLU A 31 -8.331 3.381 -4.662 1.00 0.00 O ATOM 434 CB GLU A 31 -7.980 6.628 -4.664 1.00 0.00 C ATOM 435 CG GLU A 31 -9.082 7.598 -4.269 1.00 0.00 C ATOM 436 CD GLU A 31 -9.226 8.747 -5.248 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.330 9.616 -5.277 1.00 0.00 O ATOM 438 OE2 GLU A 31 -10.234 8.777 -5.984 1.00 0.00 O ATOM 0 H GLU A 31 -6.011 4.854 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.006 5.857 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.046 7.178 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.216 6.201 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.028 7.060 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.872 7.996 -3.276 1.00 0.00 H new ATOM 445 N LEU A 32 -9.945 4.426 -3.492 1.00 0.00 N ATOM 446 CA LEU A 32 -10.941 3.386 -3.728 1.00 0.00 C ATOM 447 C LEU A 32 -12.234 3.985 -4.273 1.00 0.00 C ATOM 448 O LEU A 32 -12.879 4.799 -3.613 1.00 0.00 O ATOM 449 CB LEU A 32 -11.225 2.621 -2.434 1.00 0.00 C ATOM 450 CG LEU A 32 -10.003 2.072 -1.697 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.302 1.911 -0.215 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.567 0.746 -2.302 1.00 0.00 C ATOM 0 H LEU A 32 -10.277 5.208 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.541 2.695 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.767 3.281 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.889 1.788 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.186 2.785 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.421 1.519 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.566 2.879 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.134 1.219 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.696 0.370 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.381 0.025 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.311 0.892 -3.352 1.00 0.00 H new ATOM 464 N ALA A 33 -12.608 3.573 -5.480 1.00 0.00 N ATOM 465 CA ALA A 33 -13.826 4.065 -6.112 1.00 0.00 C ATOM 466 C ALA A 33 -14.948 4.223 -5.092 1.00 0.00 C ATOM 467 O ALA A 33 -15.781 5.122 -5.205 1.00 0.00 O ATOM 468 CB ALA A 33 -14.255 3.129 -7.232 1.00 0.00 C ATOM 0 H ALA A 33 -12.085 2.900 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.615 5.047 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.166 3.509 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.465 3.071 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.442 2.136 -6.824 1.00 0.00 H new ATOM 474 N ASP A 34 -14.965 3.342 -4.097 1.00 0.00 N ATOM 475 CA ASP A 34 -15.985 3.384 -3.056 1.00 0.00 C ATOM 476 C ASP A 34 -15.450 2.811 -1.748 1.00 0.00 C ATOM 477 O ASP A 34 -14.667 1.861 -1.731 1.00 0.00 O ATOM 478 CB ASP A 34 -17.227 2.606 -3.498 1.00 0.00 C ATOM 479 CG ASP A 34 -18.062 3.373 -4.504 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.158 4.612 -4.375 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.620 2.735 -5.421 1.00 0.00 O ATOM 0 H ASP A 34 -14.284 2.590 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.258 4.426 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.921 1.655 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.837 2.374 -2.625 1.00 0.00 H new ATOM 486 N PRO A 35 -15.881 3.401 -0.623 1.00 0.00 N ATOM 487 CA PRO A 35 -15.457 2.967 0.711 1.00 0.00 C ATOM 488 C PRO A 35 -16.035 1.607 1.088 1.00 0.00 C ATOM 489 O PRO A 35 -15.594 0.979 2.051 1.00 0.00 O ATOM 490 CB PRO A 35 -16.012 4.057 1.632 1.00 0.00 C ATOM 491 CG PRO A 35 -17.173 4.624 0.890 1.00 0.00 C ATOM 492 CD PRO A 35 -16.815 4.539 -0.567 1.00 0.00 C ATOM 0 HA PRO A 35 -14.376 2.845 0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.319 3.645 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.262 4.821 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.083 4.063 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.359 5.656 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.695 4.368 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.349 5.459 -0.921 1.00 0.00 H new ATOM 500 N LYS A 36 -17.023 1.156 0.323 1.00 0.00 N ATOM 501 CA LYS A 36 -17.660 -0.131 0.575 1.00 0.00 C ATOM 502 C LYS A 36 -16.651 -1.269 0.463 1.00 0.00 C ATOM 503 O LYS A 36 -16.680 -2.218 1.248 1.00 0.00 O ATOM 504 CB LYS A 36 -18.810 -0.356 -0.410 1.00 0.00 C ATOM 505 CG LYS A 36 -19.873 0.728 -0.361 1.00 0.00 C ATOM 506 CD LYS A 36 -20.756 0.589 0.867 1.00 0.00 C ATOM 507 CE LYS A 36 -21.914 -0.364 0.617 1.00 0.00 C ATOM 508 NZ LYS A 36 -21.555 -1.771 0.948 1.00 0.00 N ATOM 0 H LYS A 36 -17.400 1.663 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.056 -0.119 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.406 -0.412 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.275 -1.319 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.395 1.708 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.488 0.677 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.161 0.227 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.144 1.568 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.772 -0.058 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.216 -0.302 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.395 -2.268 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.208 -2.251 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.812 -1.778 1.675 1.00 0.00 H new ATOM 522 N LEU A 37 -15.759 -1.168 -0.516 1.00 0.00 N ATOM 523 CA LEU A 37 -14.739 -2.189 -0.730 1.00 0.00 C ATOM 524 C LEU A 37 -13.707 -2.171 0.394 1.00 0.00 C ATOM 525 O LEU A 37 -13.618 -1.206 1.151 1.00 0.00 O ATOM 526 CB LEU A 37 -14.047 -1.971 -2.077 1.00 0.00 C ATOM 527 CG LEU A 37 -14.967 -1.839 -3.291 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.159 -1.527 -4.541 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.782 -3.109 -3.483 1.00 0.00 C ATOM 0 H LEU A 37 -15.721 -0.390 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.229 -3.163 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.438 -1.070 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.366 -2.804 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.656 -1.013 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.830 -1.437 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.621 -0.589 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.446 -2.331 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.431 -2.997 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.110 -3.953 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.390 -3.289 -2.596 1.00 0.00 H new ATOM 541 N GLU A 38 -12.930 -3.245 0.493 1.00 0.00 N ATOM 542 CA GLU A 38 -11.904 -3.352 1.523 1.00 0.00 C ATOM 543 C GLU A 38 -10.508 -3.252 0.914 1.00 0.00 C ATOM 544 O GLU A 38 -10.352 -3.221 -0.307 1.00 0.00 O ATOM 545 CB GLU A 38 -12.047 -4.672 2.283 1.00 0.00 C ATOM 546 CG GLU A 38 -13.004 -4.596 3.460 1.00 0.00 C ATOM 547 CD GLU A 38 -14.459 -4.645 3.034 1.00 0.00 C ATOM 548 OE1 GLU A 38 -14.776 -5.403 2.094 1.00 0.00 O ATOM 549 OE2 GLU A 38 -15.279 -3.924 3.639 1.00 0.00 O ATOM 0 H GLU A 38 -12.992 -4.053 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.038 -2.524 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.392 -5.443 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.066 -4.983 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.801 -5.422 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.822 -3.674 4.012 1.00 0.00 H new ATOM 556 N VAL A 39 -9.496 -3.201 1.774 1.00 0.00 N ATOM 557 CA VAL A 39 -8.113 -3.106 1.321 1.00 0.00 C ATOM 558 C VAL A 39 -7.204 -4.020 2.135 1.00 0.00 C ATOM 559 O VAL A 39 -7.483 -4.316 3.297 1.00 0.00 O ATOM 560 CB VAL A 39 -7.589 -1.660 1.418 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.437 -0.727 0.567 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.565 -1.199 2.868 1.00 0.00 C ATOM 0 H VAL A 39 -9.607 -3.224 2.788 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.099 -3.421 0.277 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.569 -1.635 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.052 0.290 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.398 -1.048 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.469 -0.753 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.192 -0.176 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.574 -1.238 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.912 -1.852 3.447 1.00 0.00 H new ATOM 572 N LYS A 40 -6.114 -4.463 1.518 1.00 0.00 N ATOM 573 CA LYS A 40 -5.161 -5.342 2.185 1.00 0.00 C ATOM 574 C LYS A 40 -3.765 -5.181 1.592 1.00 0.00 C ATOM 575 O LYS A 40 -3.569 -5.346 0.388 1.00 0.00 O ATOM 576 CB LYS A 40 -5.611 -6.800 2.067 1.00 0.00 C ATOM 577 CG LYS A 40 -6.910 -7.096 2.797 1.00 0.00 C ATOM 578 CD LYS A 40 -7.339 -8.541 2.608 1.00 0.00 C ATOM 579 CE LYS A 40 -8.347 -8.966 3.665 1.00 0.00 C ATOM 580 NZ LYS A 40 -9.738 -8.590 3.288 1.00 0.00 N ATOM 0 H LYS A 40 -5.868 -4.228 0.556 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.124 -5.063 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.731 -7.050 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.827 -7.447 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.787 -6.888 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.693 -6.432 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.775 -8.665 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.465 -9.190 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.289 -10.045 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.091 -8.503 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.395 -8.897 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.800 -7.558 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.992 -9.052 2.392 1.00 0.00 H new ATOM 594 N TRP A 41 -2.798 -4.860 2.444 1.00 0.00 N ATOM 595 CA TRP A 41 -1.420 -4.678 2.003 1.00 0.00 C ATOM 596 C TRP A 41 -0.617 -5.962 2.185 1.00 0.00 C ATOM 597 O TRP A 41 -0.664 -6.590 3.244 1.00 0.00 O ATOM 598 CB TRP A 41 -0.762 -3.536 2.778 1.00 0.00 C ATOM 599 CG TRP A 41 -1.452 -2.218 2.594 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.681 -1.863 3.072 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.953 -1.082 1.880 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.977 -0.574 2.698 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.933 -0.073 1.966 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.225 -0.818 1.177 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.767 1.177 1.376 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.388 0.423 0.591 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.604 1.408 0.694 1.00 0.00 C ATOM 0 H TRP A 41 -2.943 -4.720 3.444 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.434 -4.427 0.942 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.749 -3.786 3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.276 -3.442 2.460 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.326 -2.501 3.658 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.835 -0.072 2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.995 -1.571 1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.530 1.938 1.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.295 0.637 0.045 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.447 2.368 0.226 1.00 0.00 H new ATOM 618 N TYR A 42 0.120 -6.346 1.149 1.00 0.00 N ATOM 619 CA TYR A 42 0.932 -7.556 1.194 1.00 0.00 C ATOM 620 C TYR A 42 2.377 -7.257 0.809 1.00 0.00 C ATOM 621 O TYR A 42 2.645 -6.380 -0.013 1.00 0.00 O ATOM 622 CB TYR A 42 0.352 -8.619 0.260 1.00 0.00 C ATOM 623 CG TYR A 42 -1.015 -9.111 0.677 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.164 -8.418 0.317 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.158 -10.271 1.429 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.416 -8.864 0.696 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.406 -10.725 1.812 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.531 -10.017 1.443 1.00 0.00 C ATOM 629 OH TYR A 42 -4.776 -10.465 1.822 1.00 0.00 O ATOM 0 H TYR A 42 0.172 -5.836 0.267 1.00 0.00 H new ATOM 0 HA TYR A 42 0.919 -7.934 2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.289 -8.210 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.037 -9.466 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.077 -7.515 -0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.279 -10.827 1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.299 -8.313 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.500 -11.628 2.396 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.682 -11.290 2.342 1.00 0.00 H new ATOM 639 N LYS A 43 3.307 -7.993 1.408 1.00 0.00 N ATOM 640 CA LYS A 43 4.726 -7.811 1.128 1.00 0.00 C ATOM 641 C LYS A 43 5.413 -9.154 0.903 1.00 0.00 C ATOM 642 O LYS A 43 5.742 -9.861 1.854 1.00 0.00 O ATOM 643 CB LYS A 43 5.403 -7.067 2.282 1.00 0.00 C ATOM 644 CG LYS A 43 6.920 -7.083 2.209 1.00 0.00 C ATOM 645 CD LYS A 43 7.546 -6.761 3.555 1.00 0.00 C ATOM 646 CE LYS A 43 9.065 -6.776 3.481 1.00 0.00 C ATOM 647 NZ LYS A 43 9.607 -8.163 3.477 1.00 0.00 N ATOM 0 H LYS A 43 3.103 -8.722 2.091 1.00 0.00 H new ATOM 0 HA LYS A 43 4.818 -7.219 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.059 -6.033 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.088 -7.513 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.259 -8.063 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.257 -6.359 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.207 -5.781 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.210 -7.486 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.390 -6.257 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.475 -6.228 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.645 -8.130 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.319 -8.651 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.236 -8.678 2.653 1.00 0.00 H new ATOM 661 N ASN A 44 5.628 -9.498 -0.363 1.00 0.00 N ATOM 662 CA ASN A 44 6.277 -10.757 -0.713 1.00 0.00 C ATOM 663 C ASN A 44 5.338 -11.936 -0.482 1.00 0.00 C ATOM 664 O ASN A 44 5.756 -12.994 -0.013 1.00 0.00 O ATOM 665 CB ASN A 44 7.556 -10.940 0.107 1.00 0.00 C ATOM 666 CG ASN A 44 8.476 -11.990 -0.484 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.703 -13.041 0.115 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.012 -11.709 -1.667 1.00 0.00 N ATOM 0 H ASN A 44 5.363 -8.923 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 44 6.534 -10.723 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.085 -9.989 0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.293 -11.223 1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.639 -12.377 -2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.796 -10.825 -2.128 1.00 0.00 H new ATOM 675 N GLY A 45 4.065 -11.746 -0.815 1.00 0.00 N ATOM 676 CA GLY A 45 3.086 -12.802 -0.637 1.00 0.00 C ATOM 677 C GLY A 45 2.774 -13.065 0.823 1.00 0.00 C ATOM 678 O GLY A 45 2.573 -14.210 1.224 1.00 0.00 O ATOM 0 H GLY A 45 3.694 -10.879 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.167 -12.533 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.457 -13.718 -1.097 1.00 0.00 H new ATOM 682 N GLN A 46 2.737 -12.001 1.619 1.00 0.00 N ATOM 683 CA GLN A 46 2.451 -12.123 3.043 1.00 0.00 C ATOM 684 C GLN A 46 1.669 -10.913 3.547 1.00 0.00 C ATOM 685 O GLN A 46 1.948 -9.779 3.160 1.00 0.00 O ATOM 686 CB GLN A 46 3.751 -12.271 3.835 1.00 0.00 C ATOM 687 CG GLN A 46 4.481 -13.577 3.567 1.00 0.00 C ATOM 688 CD GLN A 46 5.755 -13.710 4.378 1.00 0.00 C ATOM 689 OE1 GLN A 46 6.312 -12.717 4.849 1.00 0.00 O ATOM 690 NE2 GLN A 46 6.225 -14.940 4.545 1.00 0.00 N ATOM 0 H GLN A 46 2.901 -11.046 1.302 1.00 0.00 H new ATOM 0 HA GLN A 46 1.841 -13.014 3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.412 -11.439 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.528 -12.201 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.820 -14.412 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.722 -13.643 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.732 -15.734 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.080 -15.091 5.081 1.00 0.00 H new ATOM 699 N GLU A 47 0.691 -11.165 4.411 1.00 0.00 N ATOM 700 CA GLU A 47 -0.131 -10.096 4.965 1.00 0.00 C ATOM 701 C GLU A 47 0.682 -9.221 5.915 1.00 0.00 C ATOM 702 O GLU A 47 1.380 -9.726 6.796 1.00 0.00 O ATOM 703 CB GLU A 47 -1.339 -10.680 5.701 1.00 0.00 C ATOM 704 CG GLU A 47 -2.458 -9.678 5.925 1.00 0.00 C ATOM 705 CD GLU A 47 -3.795 -10.345 6.186 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.801 -11.456 6.757 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.834 -9.757 5.820 1.00 0.00 O ATOM 0 H GLU A 47 0.449 -12.099 4.742 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.482 -9.478 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.727 -11.524 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.013 -11.069 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.204 -9.038 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.543 -9.032 5.051 1.00 0.00 H new ATOM 714 N ILE A 48 0.588 -7.909 5.729 1.00 0.00 N ATOM 715 CA ILE A 48 1.314 -6.965 6.569 1.00 0.00 C ATOM 716 C ILE A 48 0.504 -6.594 7.806 1.00 0.00 C ATOM 717 O ILE A 48 -0.671 -6.238 7.708 1.00 0.00 O ATOM 718 CB ILE A 48 1.667 -5.680 5.796 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.487 -6.018 4.550 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.428 -4.715 6.692 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.645 -4.854 3.596 1.00 0.00 C ATOM 0 H ILE A 48 0.016 -7.476 5.004 1.00 0.00 H new ATOM 0 HA ILE A 48 2.235 -7.460 6.876 1.00 0.00 H new ATOM 0 HB ILE A 48 0.742 -5.198 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.475 -6.362 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.010 -6.846 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.670 -3.812 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.811 -4.454 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.349 -5.187 7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.237 -5.166 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.662 -4.524 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.149 -4.033 4.105 1.00 0.00 H new ATOM 733 N ARG A 49 1.140 -6.677 8.970 1.00 0.00 N ATOM 734 CA ARG A 49 0.478 -6.350 10.228 1.00 0.00 C ATOM 735 C ARG A 49 0.820 -4.929 10.668 1.00 0.00 C ATOM 736 O ARG A 49 1.936 -4.446 10.476 1.00 0.00 O ATOM 737 CB ARG A 49 0.885 -7.345 11.316 1.00 0.00 C ATOM 738 CG ARG A 49 0.121 -8.657 11.258 1.00 0.00 C ATOM 739 CD ARG A 49 0.053 -9.323 12.623 1.00 0.00 C ATOM 740 NE ARG A 49 -0.636 -10.610 12.571 1.00 0.00 N ATOM 741 CZ ARG A 49 -1.027 -11.279 13.650 1.00 0.00 C ATOM 742 NH1 ARG A 49 -0.801 -10.784 14.859 1.00 0.00 N ATOM 743 NH2 ARG A 49 -1.648 -12.444 13.520 1.00 0.00 N ATOM 0 H ARG A 49 2.113 -6.968 9.068 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.599 -6.414 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.952 -7.551 11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.729 -6.886 12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.889 -8.475 10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.603 -9.329 10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.063 -9.468 13.006 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.462 -8.664 13.322 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.827 -11.017 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.326 -9.887 14.962 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.102 -11.300 15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.825 -12.826 12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.948 -12.957 14.349 1.00 0.00 H new ATOM 757 N PRO A 50 -0.162 -4.244 11.271 1.00 0.00 N ATOM 758 CA PRO A 50 0.011 -2.870 11.751 1.00 0.00 C ATOM 759 C PRO A 50 0.941 -2.789 12.957 1.00 0.00 C ATOM 760 O PRO A 50 0.684 -3.402 13.993 1.00 0.00 O ATOM 761 CB PRO A 50 -1.408 -2.449 12.142 1.00 0.00 C ATOM 762 CG PRO A 50 -2.110 -3.726 12.452 1.00 0.00 C ATOM 763 CD PRO A 50 -1.517 -4.758 11.533 1.00 0.00 C ATOM 0 HA PRO A 50 0.468 -2.230 10.996 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.400 -1.782 13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.900 -1.914 11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.968 -4.006 13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.184 -3.630 12.290 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.490 -5.743 11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.094 -4.856 10.614 1.00 0.00 H new ATOM 771 N SER A 51 2.022 -2.029 12.815 1.00 0.00 N ATOM 772 CA SER A 51 2.993 -1.871 13.892 1.00 0.00 C ATOM 773 C SER A 51 3.823 -0.607 13.694 1.00 0.00 C ATOM 774 O SER A 51 3.717 0.067 12.668 1.00 0.00 O ATOM 775 CB SER A 51 3.912 -3.093 13.961 1.00 0.00 C ATOM 776 OG SER A 51 3.179 -4.265 14.273 1.00 0.00 O ATOM 0 H SER A 51 2.248 -1.513 11.965 1.00 0.00 H new ATOM 0 HA SER A 51 2.447 -1.782 14.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.422 -3.223 13.007 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.682 -2.931 14.715 1.00 0.00 H new ATOM 0 HG SER A 51 2.272 -4.019 14.551 1.00 0.00 H new ATOM 782 N THR A 52 4.651 -0.289 14.685 1.00 0.00 N ATOM 783 CA THR A 52 5.498 0.895 14.622 1.00 0.00 C ATOM 784 C THR A 52 6.120 1.053 13.239 1.00 0.00 C ATOM 785 O THR A 52 6.452 2.162 12.819 1.00 0.00 O ATOM 786 CB THR A 52 6.622 0.837 15.674 1.00 0.00 C ATOM 787 OG1 THR A 52 6.060 0.712 16.985 1.00 0.00 O ATOM 788 CG2 THR A 52 7.491 2.084 15.606 1.00 0.00 C ATOM 0 H THR A 52 4.753 -0.835 15.540 1.00 0.00 H new ATOM 0 HA THR A 52 4.859 1.753 14.830 1.00 0.00 H new ATOM 0 HB THR A 52 7.244 -0.032 15.462 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.781 0.674 17.648 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.278 2.021 16.358 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.941 2.161 14.616 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.878 2.965 15.795 1.00 0.00 H new ATOM 796 N LYS A 53 6.276 -0.062 12.534 1.00 0.00 N ATOM 797 CA LYS A 53 6.856 -0.048 11.197 1.00 0.00 C ATOM 798 C LYS A 53 5.806 0.314 10.151 1.00 0.00 C ATOM 799 O LYS A 53 6.041 1.159 9.288 1.00 0.00 O ATOM 800 CB LYS A 53 7.467 -1.412 10.869 1.00 0.00 C ATOM 801 CG LYS A 53 8.353 -1.402 9.635 1.00 0.00 C ATOM 802 CD LYS A 53 8.435 -2.778 8.996 1.00 0.00 C ATOM 803 CE LYS A 53 9.684 -2.920 8.139 1.00 0.00 C ATOM 804 NZ LYS A 53 9.568 -4.048 7.173 1.00 0.00 N ATOM 0 H LYS A 53 6.008 -0.988 12.867 1.00 0.00 H new ATOM 0 HA LYS A 53 7.640 0.709 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.052 -1.753 11.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.664 -2.135 10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.962 -0.687 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.354 -1.066 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.437 -3.542 9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.550 -2.949 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.858 -1.992 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.550 -3.080 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.040 -3.792 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.019 -4.895 7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.564 -4.245 6.988 1.00 0.00 H new ATOM 818 N TYR A 54 4.647 -0.329 10.237 1.00 0.00 N ATOM 819 CA TYR A 54 3.561 -0.076 9.298 1.00 0.00 C ATOM 820 C TYR A 54 2.504 0.833 9.919 1.00 0.00 C ATOM 821 O TYR A 54 1.872 0.478 10.915 1.00 0.00 O ATOM 822 CB TYR A 54 2.921 -1.393 8.857 1.00 0.00 C ATOM 823 CG TYR A 54 3.891 -2.346 8.195 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.363 -2.106 6.911 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.334 -3.486 8.854 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.249 -2.974 6.302 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.220 -4.359 8.253 1.00 0.00 C ATOM 828 CZ TYR A 54 5.675 -4.098 6.977 1.00 0.00 C ATOM 829 OH TYR A 54 6.557 -4.966 6.375 1.00 0.00 O ATOM 0 H TYR A 54 4.435 -1.029 10.948 1.00 0.00 H new ATOM 0 HA TYR A 54 3.980 0.426 8.426 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.480 -1.882 9.726 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.107 -1.178 8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.032 -1.226 6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.980 -3.693 9.853 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.606 -2.773 5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.555 -5.241 8.779 1.00 0.00 H new ATOM 0 HH TYR A 54 6.757 -5.706 6.986 1.00 0.00 H new ATOM 839 N ILE A 55 2.318 2.006 9.324 1.00 0.00 N ATOM 840 CA ILE A 55 1.338 2.966 9.817 1.00 0.00 C ATOM 841 C ILE A 55 0.139 3.058 8.879 1.00 0.00 C ATOM 842 O ILE A 55 0.262 3.510 7.741 1.00 0.00 O ATOM 843 CB ILE A 55 1.955 4.367 9.983 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.383 4.258 10.521 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.098 5.217 10.908 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.450 3.920 11.994 1.00 0.00 C ATOM 0 H ILE A 55 2.833 2.315 8.500 1.00 0.00 H new ATOM 0 HA ILE A 55 1.007 2.607 10.792 1.00 0.00 H new ATOM 0 HB ILE A 55 1.990 4.851 9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.918 3.494 9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.900 5.202 10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.547 6.204 11.015 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.098 5.317 10.487 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.034 4.739 11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.493 3.859 12.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.944 4.696 12.569 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.962 2.961 12.170 1.00 0.00 H new ATOM 858 N PHE A 56 -1.020 2.628 9.365 1.00 0.00 N ATOM 859 CA PHE A 56 -2.243 2.663 8.571 1.00 0.00 C ATOM 860 C PHE A 56 -3.054 3.919 8.876 1.00 0.00 C ATOM 861 O PHE A 56 -3.386 4.190 10.029 1.00 0.00 O ATOM 862 CB PHE A 56 -3.089 1.417 8.843 1.00 0.00 C ATOM 863 CG PHE A 56 -2.483 0.152 8.304 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.382 -0.421 8.919 1.00 0.00 C ATOM 865 CD2 PHE A 56 -3.016 -0.463 7.183 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.823 -1.585 8.426 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.461 -1.627 6.686 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.363 -2.188 7.307 1.00 0.00 C ATOM 0 H PHE A 56 -1.139 2.251 10.305 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.962 2.680 7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.232 1.312 9.918 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.076 1.554 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.955 0.047 9.794 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.874 -0.028 6.692 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.035 -2.022 8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.886 -2.098 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.927 -3.097 6.919 1.00 0.00 H new ATOM 878 N GLU A 57 -3.368 4.681 7.833 1.00 0.00 N ATOM 879 CA GLU A 57 -4.139 5.909 7.989 1.00 0.00 C ATOM 880 C GLU A 57 -5.176 6.045 6.879 1.00 0.00 C ATOM 881 O GLU A 57 -4.842 6.010 5.694 1.00 0.00 O ATOM 882 CB GLU A 57 -3.210 7.124 7.987 1.00 0.00 C ATOM 883 CG GLU A 57 -2.325 7.217 9.219 1.00 0.00 C ATOM 884 CD GLU A 57 -3.010 7.914 10.378 1.00 0.00 C ATOM 885 OE1 GLU A 57 -3.924 8.726 10.124 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.631 7.649 11.538 1.00 0.00 O ATOM 0 H GLU A 57 -3.101 4.470 6.872 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.661 5.862 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.579 7.087 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.811 8.030 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.030 6.214 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.411 7.754 8.966 1.00 0.00 H new ATOM 940 N CYS A 61 -11.749 7.758 1.565 1.00 0.00 N ATOM 941 CA CYS A 61 -11.500 6.820 0.476 1.00 0.00 C ATOM 942 C CYS A 61 -10.038 6.862 0.045 1.00 0.00 C ATOM 943 O CYS A 61 -9.734 6.925 -1.146 1.00 0.00 O ATOM 944 CB CYS A 61 -12.405 7.137 -0.716 1.00 0.00 C ATOM 945 SG CYS A 61 -12.714 8.902 -0.958 1.00 0.00 S ATOM 0 HA CYS A 61 -11.725 5.816 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.952 6.731 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.359 6.627 -0.580 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.405 9.549 0.126 1.00 0.00 H new ATOM 951 N GLN A 62 -9.138 6.829 1.022 1.00 0.00 N ATOM 952 CA GLN A 62 -7.707 6.866 0.744 1.00 0.00 C ATOM 953 C GLN A 62 -6.920 6.161 1.843 1.00 0.00 C ATOM 954 O GLN A 62 -6.833 6.650 2.969 1.00 0.00 O ATOM 955 CB GLN A 62 -7.230 8.313 0.607 1.00 0.00 C ATOM 956 CG GLN A 62 -5.846 8.442 -0.008 1.00 0.00 C ATOM 957 CD GLN A 62 -5.307 9.858 0.057 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.009 10.469 -0.969 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.180 10.387 1.268 1.00 0.00 N ATOM 0 H GLN A 62 -9.374 6.777 2.013 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.532 6.342 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.943 8.865 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.226 8.780 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.159 7.772 0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.884 8.119 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.439 9.844 2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.823 11.337 1.375 1.00 0.00 H new ATOM 968 N ARG A 63 -6.348 5.009 1.508 1.00 0.00 N ATOM 969 CA ARG A 63 -5.569 4.235 2.468 1.00 0.00 C ATOM 970 C ARG A 63 -4.086 4.578 2.366 1.00 0.00 C ATOM 971 O ARG A 63 -3.470 4.406 1.314 1.00 0.00 O ATOM 972 CB ARG A 63 -5.775 2.737 2.234 1.00 0.00 C ATOM 973 CG ARG A 63 -7.141 2.234 2.671 1.00 0.00 C ATOM 974 CD ARG A 63 -7.233 2.117 4.185 1.00 0.00 C ATOM 975 NE ARG A 63 -8.613 1.971 4.639 1.00 0.00 N ATOM 976 CZ ARG A 63 -8.947 1.514 5.841 1.00 0.00 C ATOM 977 NH1 ARG A 63 -8.004 1.162 6.705 1.00 0.00 N ATOM 978 NH2 ARG A 63 -10.225 1.410 6.182 1.00 0.00 N ATOM 0 H ARG A 63 -6.409 4.591 0.580 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.915 4.490 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.640 2.522 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.005 2.185 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.913 2.914 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.334 1.262 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.649 1.259 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.792 3.001 4.645 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.362 2.234 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.020 1.242 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.263 0.811 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.953 1.681 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.480 1.059 7.105 1.00 0.00 H new ATOM 992 N ILE A 64 -3.520 5.064 3.466 1.00 0.00 N ATOM 993 CA ILE A 64 -2.110 5.431 3.500 1.00 0.00 C ATOM 994 C ILE A 64 -1.304 4.439 4.333 1.00 0.00 C ATOM 995 O ILE A 64 -1.722 4.043 5.422 1.00 0.00 O ATOM 996 CB ILE A 64 -1.910 6.847 4.073 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.856 7.835 3.388 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.463 7.286 3.905 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.267 8.990 4.275 1.00 0.00 C ATOM 0 H ILE A 64 -4.016 5.213 4.345 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.754 5.411 2.470 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.142 6.830 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.373 8.228 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.749 7.303 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.337 8.288 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.191 6.593 4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.205 7.292 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.937 9.651 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.779 8.607 5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.381 9.546 4.582 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.147 4.043 3.815 1.00 0.00 N ATOM 1012 CA LEU A 65 0.719 3.098 4.512 1.00 0.00 C ATOM 1013 C LEU A 65 2.157 3.607 4.554 1.00 0.00 C ATOM 1014 O LEU A 65 2.735 3.952 3.523 1.00 0.00 O ATOM 1015 CB LEU A 65 0.670 1.731 3.828 1.00 0.00 C ATOM 1016 CG LEU A 65 1.478 0.617 4.496 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.958 0.966 4.509 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.974 0.367 5.910 1.00 0.00 C ATOM 0 H LEU A 65 0.213 4.361 2.915 1.00 0.00 H new ATOM 0 HA LEU A 65 0.358 2.998 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.371 1.413 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.025 1.846 2.804 1.00 0.00 H new ATOM 0 HG LEU A 65 1.347 -0.298 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.517 0.162 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.311 1.094 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.108 1.893 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.560 -0.429 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.075 1.279 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.075 0.071 5.876 1.00 0.00 H new ATOM 1030 N PHE A 66 2.730 3.649 5.752 1.00 0.00 N ATOM 1031 CA PHE A 66 4.100 4.114 5.928 1.00 0.00 C ATOM 1032 C PHE A 66 4.980 3.008 6.504 1.00 0.00 C ATOM 1033 O PHE A 66 4.617 2.359 7.485 1.00 0.00 O ATOM 1034 CB PHE A 66 4.132 5.337 6.848 1.00 0.00 C ATOM 1035 CG PHE A 66 3.384 6.518 6.300 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.019 7.439 5.483 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.045 6.707 6.602 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.333 8.528 4.978 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.353 7.793 6.100 1.00 0.00 C ATOM 1040 CZ PHE A 66 1.998 8.704 5.286 1.00 0.00 C ATOM 0 H PHE A 66 2.266 3.366 6.616 1.00 0.00 H new ATOM 0 HA PHE A 66 4.491 4.393 4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.709 5.066 7.815 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.169 5.623 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.062 7.305 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.536 5.997 7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.840 9.240 4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.310 7.929 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.459 9.553 4.891 1.00 0.00 H new ATOM 1050 N ILE A 67 6.138 2.800 5.886 1.00 0.00 N ATOM 1051 CA ILE A 67 7.070 1.773 6.336 1.00 0.00 C ATOM 1052 C ILE A 67 8.367 2.393 6.845 1.00 0.00 C ATOM 1053 O ILE A 67 9.207 2.830 6.060 1.00 0.00 O ATOM 1054 CB ILE A 67 7.398 0.777 5.209 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.122 0.086 4.722 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.413 -0.250 5.688 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.332 -0.776 3.497 1.00 0.00 C ATOM 0 H ILE A 67 6.453 3.329 5.073 1.00 0.00 H new ATOM 0 HA ILE A 67 6.581 1.239 7.151 1.00 0.00 H new ATOM 0 HB ILE A 67 7.833 1.326 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.723 -0.531 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.371 0.844 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.634 -0.947 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.329 0.257 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.004 -0.797 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.386 -1.234 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.702 -0.160 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.060 -1.556 3.721 1.00 0.00 H new ATOM 1069 N ASN A 68 8.523 2.426 8.164 1.00 0.00 N ATOM 1070 CA ASN A 68 9.719 2.991 8.778 1.00 0.00 C ATOM 1071 C ASN A 68 10.880 2.002 8.721 1.00 0.00 C ATOM 1072 O ASN A 68 10.673 0.793 8.630 1.00 0.00 O ATOM 1073 CB ASN A 68 9.437 3.380 10.231 1.00 0.00 C ATOM 1074 CG ASN A 68 8.641 4.666 10.341 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.143 5.748 10.036 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.392 4.553 10.778 1.00 0.00 N ATOM 0 H ASN A 68 7.837 2.068 8.828 1.00 0.00 H new ATOM 0 HA ASN A 68 9.997 3.883 8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.890 2.574 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.381 3.494 10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.808 5.384 10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.017 3.636 11.019 1.00 0.00 H new ATOM 1083 N ASN A 69 12.100 2.526 8.777 1.00 0.00 N ATOM 1084 CA ASN A 69 13.293 1.689 8.731 1.00 0.00 C ATOM 1085 C ASN A 69 13.444 1.030 7.364 1.00 0.00 C ATOM 1086 O ASN A 69 13.630 -0.184 7.266 1.00 0.00 O ATOM 1087 CB ASN A 69 13.233 0.618 9.822 1.00 0.00 C ATOM 1088 CG ASN A 69 14.607 0.099 10.200 1.00 0.00 C ATOM 1089 OD1 ASN A 69 15.573 0.859 10.265 1.00 0.00 O ATOM 1090 ND2 ASN A 69 14.699 -1.201 10.453 1.00 0.00 N ATOM 0 H ASN A 69 12.288 3.525 8.854 1.00 0.00 H new ATOM 0 HA ASN A 69 14.160 2.327 8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.748 1.031 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.616 -0.212 9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.597 -1.607 10.714 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.871 -1.793 10.387 1.00 0.00 H new ATOM 1097 N CYS A 70 13.363 1.837 6.312 1.00 0.00 N ATOM 1098 CA CYS A 70 13.490 1.332 4.949 1.00 0.00 C ATOM 1099 C CYS A 70 14.936 0.958 4.641 1.00 0.00 C ATOM 1100 O CYS A 70 15.780 1.829 4.428 1.00 0.00 O ATOM 1101 CB CYS A 70 12.996 2.377 3.948 1.00 0.00 C ATOM 1102 SG CYS A 70 11.217 2.690 4.026 1.00 0.00 S ATOM 0 H CYS A 70 13.210 2.843 6.376 1.00 0.00 H new ATOM 0 HA CYS A 70 12.875 0.436 4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.527 3.313 4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.253 2.049 2.941 1.00 0.00 H new ATOM 0 HG CYS A 70 10.822 2.645 5.264 1.00 0.00 H new ATOM 1108 N GLN A 71 15.215 -0.341 4.619 1.00 0.00 N ATOM 1109 CA GLN A 71 16.560 -0.829 4.339 1.00 0.00 C ATOM 1110 C GLN A 71 16.609 -1.547 2.994 1.00 0.00 C ATOM 1111 O GLN A 71 15.587 -2.012 2.490 1.00 0.00 O ATOM 1112 CB GLN A 71 17.025 -1.771 5.451 1.00 0.00 C ATOM 1113 CG GLN A 71 18.530 -1.760 5.667 1.00 0.00 C ATOM 1114 CD GLN A 71 18.966 -0.723 6.683 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.331 -1.057 7.810 1.00 0.00 O ATOM 1116 NE2 GLN A 71 18.931 0.544 6.288 1.00 0.00 N ATOM 0 H GLN A 71 14.528 -1.075 4.792 1.00 0.00 H new ATOM 0 HA GLN A 71 17.230 0.030 4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.531 -1.493 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.708 -2.786 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.853 -2.747 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.028 -1.565 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.621 0.776 5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.214 1.286 6.928 1.00 0.00 H new ATOM 1168 N ASP A 75 13.276 -3.314 0.597 1.00 0.00 N ATOM 1169 CA ASP A 75 12.901 -3.136 -0.801 1.00 0.00 C ATOM 1170 C ASP A 75 12.249 -4.400 -1.353 1.00 0.00 C ATOM 1171 O ASP A 75 12.933 -5.306 -1.828 1.00 0.00 O ATOM 1172 CB ASP A 75 14.129 -2.774 -1.638 1.00 0.00 C ATOM 1173 CG ASP A 75 14.021 -3.264 -3.068 1.00 0.00 C ATOM 1174 OD1 ASP A 75 12.888 -3.327 -3.589 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.069 -3.587 -3.666 1.00 0.00 O ATOM 0 HA ASP A 75 12.179 -2.321 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.259 -1.692 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.019 -3.203 -1.177 1.00 0.00 H new ATOM 1180 N SER A 76 10.923 -4.452 -1.287 1.00 0.00 N ATOM 1181 CA SER A 76 10.178 -5.607 -1.776 1.00 0.00 C ATOM 1182 C SER A 76 8.997 -5.167 -2.635 1.00 0.00 C ATOM 1183 O SER A 76 8.609 -3.999 -2.624 1.00 0.00 O ATOM 1184 CB SER A 76 9.681 -6.454 -0.603 1.00 0.00 C ATOM 1185 OG SER A 76 9.221 -7.719 -1.046 1.00 0.00 O ATOM 0 H SER A 76 10.342 -3.708 -0.900 1.00 0.00 H new ATOM 0 HA SER A 76 10.849 -6.207 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.486 -6.589 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.875 -5.931 -0.088 1.00 0.00 H new ATOM 0 HG SER A 76 8.412 -7.965 -0.550 1.00 0.00 H new ATOM 1191 N GLU A 77 8.430 -6.111 -3.380 1.00 0.00 N ATOM 1192 CA GLU A 77 7.294 -5.821 -4.247 1.00 0.00 C ATOM 1193 C GLU A 77 5.995 -5.785 -3.447 1.00 0.00 C ATOM 1194 O GLU A 77 5.493 -6.821 -3.011 1.00 0.00 O ATOM 1195 CB GLU A 77 7.192 -6.867 -5.359 1.00 0.00 C ATOM 1196 CG GLU A 77 6.219 -6.489 -6.463 1.00 0.00 C ATOM 1197 CD GLU A 77 6.436 -7.292 -7.731 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.578 -7.305 -8.236 1.00 0.00 O ATOM 1199 OE2 GLU A 77 5.464 -7.905 -8.219 1.00 0.00 O ATOM 0 H GLU A 77 8.739 -7.083 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 77 7.453 -4.840 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.180 -7.020 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.884 -7.818 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.199 -6.641 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.324 -5.427 -6.687 1.00 0.00 H new ATOM 1206 N TYR A 78 5.457 -4.585 -3.258 1.00 0.00 N ATOM 1207 CA TYR A 78 4.219 -4.412 -2.508 1.00 0.00 C ATOM 1208 C TYR A 78 3.013 -4.403 -3.443 1.00 0.00 C ATOM 1209 O TYR A 78 3.065 -3.839 -4.536 1.00 0.00 O ATOM 1210 CB TYR A 78 4.263 -3.113 -1.702 1.00 0.00 C ATOM 1211 CG TYR A 78 5.444 -3.023 -0.763 1.00 0.00 C ATOM 1212 CD1 TYR A 78 5.395 -3.594 0.503 1.00 0.00 C ATOM 1213 CD2 TYR A 78 6.610 -2.369 -1.141 1.00 0.00 C ATOM 1214 CE1 TYR A 78 6.472 -3.513 1.365 1.00 0.00 C ATOM 1215 CE2 TYR A 78 7.692 -2.285 -0.287 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.618 -2.858 0.966 1.00 0.00 C ATOM 1217 OH TYR A 78 8.693 -2.777 1.821 1.00 0.00 O ATOM 0 H TYR A 78 5.859 -3.718 -3.614 1.00 0.00 H new ATOM 0 HA TYR A 78 4.119 -5.253 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.292 -2.269 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.343 -3.022 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.500 -4.110 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.671 -1.918 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.416 -3.960 2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.591 -1.774 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 78 9.420 -2.284 1.387 1.00 0.00 H new ATOM 1227 N TYR A 79 1.928 -5.031 -3.004 1.00 0.00 N ATOM 1228 CA TYR A 79 0.709 -5.098 -3.801 1.00 0.00 C ATOM 1229 C TYR A 79 -0.528 -5.070 -2.907 1.00 0.00 C ATOM 1230 O TYR A 79 -0.617 -5.809 -1.927 1.00 0.00 O ATOM 1231 CB TYR A 79 0.704 -6.364 -4.659 1.00 0.00 C ATOM 1232 CG TYR A 79 0.501 -7.634 -3.863 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.560 -8.235 -3.195 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.750 -8.232 -3.779 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.380 -9.395 -2.467 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -0.940 -9.391 -3.053 1.00 0.00 C ATOM 1237 CZ TYR A 79 0.128 -9.970 -2.399 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.056 -11.125 -1.674 1.00 0.00 O ATOM 0 H TYR A 79 1.868 -5.501 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 79 0.683 -4.226 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.085 -6.283 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.648 -6.431 -5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.542 -7.787 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.588 -7.783 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.215 -9.849 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.920 -9.842 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.416 -10.903 -0.790 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.482 -4.212 -3.255 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.715 -4.088 -2.487 1.00 0.00 C ATOM 1250 C VAL A 80 -3.908 -4.621 -3.273 1.00 0.00 C ATOM 1251 O VAL A 80 -3.908 -4.613 -4.504 1.00 0.00 O ATOM 1252 CB VAL A 80 -2.986 -2.624 -2.093 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.096 -1.749 -3.333 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.247 -2.524 -1.248 1.00 0.00 C ATOM 0 H VAL A 80 -1.424 -3.593 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.585 -4.682 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.147 -2.266 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.288 -0.718 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.164 -1.797 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.916 -2.104 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.423 -1.483 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.097 -2.900 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.126 -3.117 -0.342 1.00 0.00 H new ATOM 1264 N THR A 81 -4.925 -5.084 -2.552 1.00 0.00 N ATOM 1265 CA THR A 81 -6.124 -5.622 -3.182 1.00 0.00 C ATOM 1266 C THR A 81 -7.382 -4.979 -2.607 1.00 0.00 C ATOM 1267 O THR A 81 -7.457 -4.701 -1.411 1.00 0.00 O ATOM 1268 CB THR A 81 -6.215 -7.150 -3.003 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.388 -7.472 -1.619 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.964 -7.832 -3.536 1.00 0.00 C ATOM 0 H THR A 81 -4.942 -5.097 -1.532 1.00 0.00 H new ATOM 0 HA THR A 81 -6.054 -5.391 -4.245 1.00 0.00 H new ATOM 0 HB THR A 81 -7.075 -7.510 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.447 -8.445 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.051 -8.910 -3.399 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.852 -7.609 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.092 -7.467 -2.994 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.367 -4.747 -3.468 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.623 -4.139 -3.045 1.00 0.00 C ATOM 1280 C ALA A 82 -10.759 -4.512 -3.991 1.00 0.00 C ATOM 1281 O ALA A 82 -10.733 -4.173 -5.173 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.476 -2.627 -2.964 1.00 0.00 C ATOM 0 H ALA A 82 -8.320 -4.971 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.869 -4.523 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.421 -2.186 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.698 -2.375 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.203 -2.235 -3.944 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.757 -5.214 -3.462 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.889 -5.622 -4.274 1.00 0.00 C ATOM 1290 C GLY A 83 -12.529 -6.714 -5.262 1.00 0.00 C ATOM 1291 O GLY A 83 -12.223 -7.840 -4.869 1.00 0.00 O ATOM 0 H GLY A 83 -11.802 -5.507 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.690 -5.974 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.274 -4.758 -4.816 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.568 -6.383 -6.548 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.244 -7.344 -7.596 1.00 0.00 C ATOM 1297 C ASP A 84 -11.038 -6.880 -8.405 1.00 0.00 C ATOM 1298 O ASP A 84 -10.814 -7.342 -9.524 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.446 -7.548 -8.519 1.00 0.00 C ATOM 1300 CG ASP A 84 -13.380 -8.861 -9.274 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -12.709 -9.794 -8.785 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -13.999 -8.956 -10.354 1.00 0.00 O ATOM 0 H ASP A 84 -12.821 -5.456 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.996 -8.293 -7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.362 -7.517 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.497 -6.725 -9.232 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.264 -5.963 -7.833 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.082 -5.435 -8.503 1.00 0.00 C ATOM 1309 C GLU A 85 -7.877 -5.442 -7.567 1.00 0.00 C ATOM 1310 O GLU A 85 -8.017 -5.622 -6.357 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.344 -4.013 -9.004 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.303 -3.949 -10.181 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.849 -4.803 -11.349 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.627 -4.867 -11.597 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.716 -5.406 -12.016 1.00 0.00 O ATOM 0 H GLU A 85 -10.435 -5.571 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.862 -6.078 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.747 -3.417 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.396 -3.558 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.291 -4.277 -9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.402 -2.914 -10.509 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.692 -5.247 -8.136 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.461 -5.230 -7.354 1.00 0.00 C ATOM 1324 C LYS A 86 -4.316 -4.621 -8.157 1.00 0.00 C ATOM 1325 O LYS A 86 -4.314 -4.668 -9.388 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.092 -6.648 -6.914 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.276 -7.411 -7.943 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.898 -8.794 -7.440 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.729 -8.734 -6.469 1.00 0.00 C ATOM 1330 NZ LYS A 86 -2.196 -10.090 -6.158 1.00 0.00 N ATOM 0 H LYS A 86 -6.558 -5.098 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.630 -4.615 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.529 -6.595 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.006 -7.203 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.847 -7.502 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.372 -6.850 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.757 -9.251 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.638 -9.431 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.935 -8.120 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.048 -8.249 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.697 -10.066 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.982 -10.768 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.536 -10.383 -6.906 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.343 -4.052 -7.453 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.191 -3.435 -8.101 1.00 0.00 C ATOM 1346 C CYS A 87 -0.907 -3.749 -7.340 1.00 0.00 C ATOM 1347 O CYS A 87 -0.945 -4.273 -6.227 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.384 -1.921 -8.197 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.410 -1.134 -9.501 1.00 0.00 S ATOM 0 H CYS A 87 -3.329 -4.005 -6.434 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.106 -3.847 -9.106 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.439 -1.710 -8.369 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.121 -1.471 -7.240 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.612 -0.253 -8.975 1.00 0.00 H new ATOM 1355 N SER A 88 0.229 -3.426 -7.949 1.00 0.00 N ATOM 1356 CA SER A 88 1.526 -3.678 -7.331 1.00 0.00 C ATOM 1357 C SER A 88 2.509 -2.556 -7.654 1.00 0.00 C ATOM 1358 O SER A 88 2.322 -1.807 -8.613 1.00 0.00 O ATOM 1359 CB SER A 88 2.090 -5.018 -7.808 1.00 0.00 C ATOM 1360 OG SER A 88 2.170 -5.064 -9.222 1.00 0.00 O ATOM 0 H SER A 88 0.278 -2.989 -8.870 1.00 0.00 H new ATOM 0 HA SER A 88 1.385 -3.715 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.080 -5.172 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.458 -5.830 -7.450 1.00 0.00 H new ATOM 0 HG SER A 88 2.535 -5.930 -9.501 1.00 0.00 H new ATOM 1366 N THR A 89 3.558 -2.447 -6.845 1.00 0.00 N ATOM 1367 CA THR A 89 4.571 -1.417 -7.042 1.00 0.00 C ATOM 1368 C THR A 89 5.943 -1.902 -6.589 1.00 0.00 C ATOM 1369 O THR A 89 6.058 -2.925 -5.915 1.00 0.00 O ATOM 1370 CB THR A 89 4.217 -0.128 -6.278 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.261 0.839 -6.438 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.007 -0.415 -4.799 1.00 0.00 C ATOM 0 H THR A 89 3.728 -3.059 -6.047 1.00 0.00 H new ATOM 0 HA THR A 89 4.599 -1.201 -8.110 1.00 0.00 H new ATOM 0 HB THR A 89 3.289 0.268 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.024 1.460 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.758 0.511 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.192 -1.129 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.920 -0.833 -4.376 1.00 0.00 H new ATOM 1380 N GLU A 90 6.981 -1.160 -6.963 1.00 0.00 N ATOM 1381 CA GLU A 90 8.346 -1.516 -6.595 1.00 0.00 C ATOM 1382 C GLU A 90 8.972 -0.436 -5.718 1.00 0.00 C ATOM 1383 O GLU A 90 8.880 0.755 -6.019 1.00 0.00 O ATOM 1384 CB GLU A 90 9.198 -1.728 -7.848 1.00 0.00 C ATOM 1385 CG GLU A 90 8.947 -3.059 -8.537 1.00 0.00 C ATOM 1386 CD GLU A 90 9.796 -3.243 -9.779 1.00 0.00 C ATOM 1387 OE1 GLU A 90 9.989 -2.254 -10.517 1.00 0.00 O ATOM 1388 OE2 GLU A 90 10.269 -4.375 -10.013 1.00 0.00 O ATOM 0 H GLU A 90 6.902 -0.309 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 90 8.311 -2.446 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.000 -0.921 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.252 -1.662 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.152 -3.870 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.894 -3.131 -8.808 1.00 0.00 H new ATOM 1395 N LEU A 91 9.610 -0.859 -4.632 1.00 0.00 N ATOM 1396 CA LEU A 91 10.251 0.071 -3.710 1.00 0.00 C ATOM 1397 C LEU A 91 11.763 0.085 -3.914 1.00 0.00 C ATOM 1398 O LEU A 91 12.413 -0.960 -3.890 1.00 0.00 O ATOM 1399 CB LEU A 91 9.924 -0.306 -2.264 1.00 0.00 C ATOM 1400 CG LEU A 91 10.462 0.637 -1.186 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.982 0.685 -1.230 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.878 2.031 -1.357 1.00 0.00 C ATOM 0 H LEU A 91 9.697 -1.841 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 91 9.866 1.070 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.840 -0.363 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.315 -1.305 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 91 10.158 0.255 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.347 1.361 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.383 -0.314 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.307 1.043 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.272 2.688 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.151 2.422 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.792 1.983 -1.275 1.00 0.00 H new ATOM 1414 N PHE A 92 12.317 1.277 -4.114 1.00 0.00 N ATOM 1415 CA PHE A 92 13.752 1.427 -4.321 1.00 0.00 C ATOM 1416 C PHE A 92 14.372 2.295 -3.230 1.00 0.00 C ATOM 1417 O PHE A 92 14.313 3.523 -3.289 1.00 0.00 O ATOM 1418 CB PHE A 92 14.029 2.041 -5.695 1.00 0.00 C ATOM 1419 CG PHE A 92 13.739 1.110 -6.838 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.545 0.008 -7.072 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.660 1.337 -7.676 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.281 -0.850 -8.123 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.390 0.482 -8.729 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.202 -0.613 -8.952 1.00 0.00 C ATOM 0 H PHE A 92 11.794 2.152 -4.137 1.00 0.00 H new ATOM 0 HA PHE A 92 14.205 0.437 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.427 2.942 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.074 2.348 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.389 -0.183 -6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.022 2.192 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.918 -1.705 -8.296 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.546 0.670 -9.376 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.993 -1.283 -9.773 1.00 0.00 H new ATOM 1434 N VAL A 93 14.965 1.647 -2.232 1.00 0.00 N ATOM 1435 CA VAL A 93 15.596 2.358 -1.127 1.00 0.00 C ATOM 1436 C VAL A 93 17.083 2.572 -1.388 1.00 0.00 C ATOM 1437 O VAL A 93 17.856 1.616 -1.452 1.00 0.00 O ATOM 1438 CB VAL A 93 15.423 1.597 0.201 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.628 0.104 -0.008 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.385 2.134 1.251 1.00 0.00 C ATOM 0 H VAL A 93 15.021 0.631 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 93 15.101 3.326 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 93 14.405 1.753 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.502 -0.417 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.896 -0.267 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.633 -0.075 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.250 1.585 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.410 2.010 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.185 3.192 1.420 1.00 0.00 H new ATOM 1450 N ARG A 94 17.476 3.832 -1.537 1.00 0.00 N ATOM 1451 CA ARG A 94 18.871 4.172 -1.792 1.00 0.00 C ATOM 1452 C ARG A 94 19.723 3.943 -0.547 1.00 0.00 C ATOM 1453 O ARG A 94 19.226 3.485 0.482 1.00 0.00 O ATOM 1454 CB ARG A 94 18.989 5.630 -2.242 1.00 0.00 C ATOM 1455 CG ARG A 94 17.989 6.017 -3.320 1.00 0.00 C ATOM 1456 CD ARG A 94 18.409 5.492 -4.684 1.00 0.00 C ATOM 1457 NE ARG A 94 19.617 6.151 -5.175 1.00 0.00 N ATOM 1458 CZ ARG A 94 19.993 6.140 -6.449 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.259 5.509 -7.355 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.105 6.763 -6.819 1.00 0.00 N ATOM 0 H ARG A 94 16.849 4.635 -1.486 1.00 0.00 H new ATOM 0 HA ARG A 94 19.237 3.522 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.850 6.280 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.998 5.806 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 94 17.006 5.622 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.897 7.102 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.582 4.418 -4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 94 17.598 5.644 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 94 20.203 6.646 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.403 5.030 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.550 5.502 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 94 21.671 7.251 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.393 6.754 -7.797 1.00 0.00 H new