USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 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 59 SER OG : rot -78:sc= 1.74 USER MOD Set 1.2: A 62 GLN : amide:sc= 1.3 K(o=3,f=1.7) USER MOD Set 2.1: A 41 GLN : amide:sc= -2.25 K(o=-2.8,f=-11!) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.342 K(o=-2.8,f=-2.1) USER MOD Set 2.3: A 79 CYS SG : rot 170:sc= 0 USER MOD Set 2.4: A 82 HIS : no HE2:sc= -0.93 K(o=-2.8,f=-17!) USER MOD Single : A 13 SER OG : rot -39:sc= 0.957 USER MOD Single : A 14 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.53) USER MOD Single : A 15 ASN : amide:sc=-2.37e-05 K(o=-2.4e-05,f=-0.65) USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= -1.42 (180deg=-3.92!) USER MOD Single : A 25 THR OG1 : rot -165:sc= -0.922! USER MOD Single : A 27 HIS : no HD1:sc= 0.0557 K(o=0.41,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0454 X(o=-0.045,f=-0.043) USER MOD Single : A 32 GLN : amide:sc= 0.903 K(o=0.9,f=-0.81) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.0146 (180deg=-0.163) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= -0.0041 (180deg=-0.153) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 MET CE :methyl -163:sc= -0.0847 (180deg=-0.757) USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= -2.15! (180deg=-4.51!) USER MOD Single : A 58 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.046) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0644) USER MOD Single : A 67 MET CE :methyl 151:sc= 0 (180deg=-0.87) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0667) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0762 (180deg=-0.381) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 0.729 (180deg=0.466) USER MOD Single : A 90 SER OG : rot 43:sc= 1.11 USER MOD Single : A 91 THR OG1 : rot 167:sc= -0.608 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.747 -6.745 -0.551 1.00 24.04 N ATOM 90 CA GLU A 7 15.755 -6.285 0.433 1.00 53.45 C ATOM 91 C GLU A 7 15.052 -4.977 0.016 1.00 73.13 C ATOM 92 O GLU A 7 15.682 -3.919 -0.067 1.00 31.35 O ATOM 93 CB GLU A 7 16.428 -6.077 1.793 1.00 43.21 C ATOM 94 CG GLU A 7 17.166 -7.301 2.321 1.00 22.34 C ATOM 95 CD GLU A 7 17.836 -7.040 3.660 1.00 5.34 C ATOM 96 OE1 GLU A 7 18.786 -6.230 3.708 1.00 4.02 O ATOM 97 OE2 GLU A 7 17.415 -7.641 4.674 1.00 43.35 O ATOM 0 HA GLU A 7 14.993 -7.062 0.492 1.00 53.45 H new ATOM 0 HB2 GLU A 7 17.132 -5.249 1.714 1.00 43.21 H new ATOM 0 HB3 GLU A 7 15.670 -5.783 2.519 1.00 43.21 H new ATOM 0 HG2 GLU A 7 16.464 -8.129 2.424 1.00 22.34 H new ATOM 0 HG3 GLU A 7 17.918 -7.609 1.595 1.00 22.34 H new ATOM 104 N VAL A 8 13.742 -5.053 -0.228 1.00 74.23 N ATOM 105 CA VAL A 8 12.919 -3.862 -0.488 1.00 24.53 C ATOM 106 C VAL A 8 11.704 -3.810 0.461 1.00 11.40 C ATOM 107 O VAL A 8 11.172 -4.847 0.872 1.00 21.53 O ATOM 108 CB VAL A 8 12.427 -3.804 -1.961 1.00 55.32 C ATOM 109 CG1 VAL A 8 13.609 -3.746 -2.929 1.00 33.11 C ATOM 110 CG2 VAL A 8 11.512 -4.986 -2.287 1.00 3.15 C ATOM 0 H VAL A 8 13.223 -5.931 -0.252 1.00 74.23 H new ATOM 0 HA VAL A 8 13.557 -2.997 -0.306 1.00 24.53 H new ATOM 0 HB VAL A 8 11.845 -2.890 -2.081 1.00 55.32 H new ATOM 0 HG11 VAL A 8 13.239 -3.706 -3.953 1.00 33.11 H new ATOM 0 HG12 VAL A 8 14.204 -2.856 -2.723 1.00 33.11 H new ATOM 0 HG13 VAL A 8 14.228 -4.634 -2.801 1.00 33.11 H new ATOM 0 HG21 VAL A 8 11.184 -4.917 -3.324 1.00 3.15 H new ATOM 0 HG22 VAL A 8 12.056 -5.919 -2.139 1.00 3.15 H new ATOM 0 HG23 VAL A 8 10.643 -4.965 -1.630 1.00 3.15 H new ATOM 120 N VAL A 9 11.279 -2.598 0.813 1.00 35.14 N ATOM 121 CA VAL A 9 10.150 -2.394 1.730 1.00 63.35 C ATOM 122 C VAL A 9 9.093 -1.453 1.129 1.00 34.20 C ATOM 123 O VAL A 9 9.409 -0.582 0.314 1.00 52.34 O ATOM 124 CB VAL A 9 10.622 -1.812 3.090 1.00 22.24 C ATOM 125 CG1 VAL A 9 11.601 -2.757 3.786 1.00 62.43 C ATOM 126 CG2 VAL A 9 11.249 -0.428 2.905 1.00 4.22 C ATOM 0 H VAL A 9 11.701 -1.733 0.476 1.00 35.14 H new ATOM 0 HA VAL A 9 9.704 -3.375 1.891 1.00 63.35 H new ATOM 0 HB VAL A 9 9.744 -1.707 3.727 1.00 22.24 H new ATOM 0 HG11 VAL A 9 11.914 -2.322 4.735 1.00 62.43 H new ATOM 0 HG12 VAL A 9 11.114 -3.715 3.968 1.00 62.43 H new ATOM 0 HG13 VAL A 9 12.474 -2.908 3.151 1.00 62.43 H new ATOM 0 HG21 VAL A 9 11.571 -0.042 3.872 1.00 4.22 H new ATOM 0 HG22 VAL A 9 12.109 -0.504 2.240 1.00 4.22 H new ATOM 0 HG23 VAL A 9 10.514 0.250 2.471 1.00 4.22 H new ATOM 136 N ALA A 10 7.842 -1.637 1.543 1.00 14.45 N ATOM 137 CA ALA A 10 6.739 -0.774 1.111 1.00 34.35 C ATOM 138 C ALA A 10 6.377 0.243 2.207 1.00 41.11 C ATOM 139 O ALA A 10 5.982 -0.134 3.313 1.00 31.11 O ATOM 140 CB ALA A 10 5.520 -1.618 0.746 1.00 62.13 C ATOM 0 H ALA A 10 7.563 -2.381 2.182 1.00 14.45 H new ATOM 0 HA ALA A 10 7.062 -0.222 0.228 1.00 34.35 H new ATOM 0 HB1 ALA A 10 4.708 -0.965 0.427 1.00 62.13 H new ATOM 0 HB2 ALA A 10 5.778 -2.299 -0.065 1.00 62.13 H new ATOM 0 HB3 ALA A 10 5.202 -2.194 1.615 1.00 62.13 H new ATOM 146 N ILE A 11 6.525 1.530 1.895 1.00 3.34 N ATOM 147 CA ILE A 11 6.224 2.606 2.847 1.00 65.23 C ATOM 148 C ILE A 11 4.799 3.139 2.642 1.00 21.53 C ATOM 149 O ILE A 11 4.512 3.808 1.648 1.00 74.44 O ATOM 150 CB ILE A 11 7.221 3.784 2.701 1.00 22.14 C ATOM 151 CG1 ILE A 11 8.679 3.276 2.709 1.00 33.23 C ATOM 152 CG2 ILE A 11 7.000 4.819 3.811 1.00 61.11 C ATOM 153 CD1 ILE A 11 9.101 2.584 3.990 1.00 32.32 C ATOM 0 H ILE A 11 6.853 1.857 0.986 1.00 3.34 H new ATOM 0 HA ILE A 11 6.315 2.180 3.846 1.00 65.23 H new ATOM 0 HB ILE A 11 7.038 4.267 1.741 1.00 22.14 H new ATOM 0 HG12 ILE A 11 8.813 2.584 1.877 1.00 33.23 H new ATOM 0 HG13 ILE A 11 9.345 4.121 2.532 1.00 33.23 H new ATOM 0 HG21 ILE A 11 7.709 5.638 3.691 1.00 61.11 H new ATOM 0 HG22 ILE A 11 5.983 5.207 3.749 1.00 61.11 H new ATOM 0 HG23 ILE A 11 7.150 4.348 4.783 1.00 61.11 H new ATOM 0 HD11 ILE A 11 10.139 2.261 3.904 1.00 32.32 H new ATOM 0 HD12 ILE A 11 9.004 3.276 4.826 1.00 32.32 H new ATOM 0 HD13 ILE A 11 8.464 1.716 4.162 1.00 32.32 H new ATOM 165 N ILE A 12 3.908 2.838 3.581 1.00 73.13 N ATOM 166 CA ILE A 12 2.516 3.293 3.501 1.00 1.04 C ATOM 167 C ILE A 12 2.312 4.595 4.294 1.00 34.15 C ATOM 168 O ILE A 12 2.387 4.606 5.528 1.00 54.33 O ATOM 169 CB ILE A 12 1.517 2.220 4.025 1.00 61.10 C ATOM 170 CG1 ILE A 12 1.584 0.925 3.185 1.00 71.42 C ATOM 171 CG2 ILE A 12 0.091 2.773 4.040 1.00 10.14 C ATOM 172 CD1 ILE A 12 2.830 0.092 3.405 1.00 72.03 C ATOM 0 H ILE A 12 4.121 2.281 4.408 1.00 73.13 H new ATOM 0 HA ILE A 12 2.312 3.471 2.445 1.00 1.04 H new ATOM 0 HB ILE A 12 1.807 1.971 5.046 1.00 61.10 H new ATOM 0 HG12 ILE A 12 0.710 0.315 3.413 1.00 71.42 H new ATOM 0 HG13 ILE A 12 1.522 1.189 2.129 1.00 71.42 H new ATOM 0 HG21 ILE A 12 -0.592 2.008 4.409 1.00 10.14 H new ATOM 0 HG22 ILE A 12 0.046 3.645 4.692 1.00 10.14 H new ATOM 0 HG23 ILE A 12 -0.198 3.060 3.029 1.00 10.14 H new ATOM 0 HD11 ILE A 12 2.790 -0.796 2.774 1.00 72.03 H new ATOM 0 HD12 ILE A 12 3.711 0.680 3.148 1.00 72.03 H new ATOM 0 HD13 ILE A 12 2.887 -0.208 4.451 1.00 72.03 H new ATOM 184 N SER A 13 2.056 5.691 3.583 1.00 1.23 N ATOM 185 CA SER A 13 1.827 6.999 4.215 1.00 31.32 C ATOM 186 C SER A 13 0.384 7.474 4.002 1.00 14.12 C ATOM 187 O SER A 13 -0.233 7.186 2.976 1.00 43.13 O ATOM 188 CB SER A 13 2.797 8.055 3.653 1.00 73.31 C ATOM 189 OG SER A 13 2.506 8.363 2.299 1.00 74.23 O ATOM 0 H SER A 13 2.001 5.704 2.565 1.00 1.23 H new ATOM 0 HA SER A 13 2.005 6.878 5.284 1.00 31.32 H new ATOM 0 HB2 SER A 13 2.736 8.962 4.254 1.00 73.31 H new ATOM 0 HB3 SER A 13 3.820 7.688 3.732 1.00 73.31 H new ATOM 0 HG SER A 13 2.263 7.542 1.822 1.00 74.23 H new ATOM 195 N GLN A 14 -0.149 8.197 4.983 1.00 64.33 N ATOM 196 CA GLN A 14 -1.497 8.764 4.898 1.00 13.32 C ATOM 197 C GLN A 14 -1.540 10.140 5.580 1.00 12.11 C ATOM 198 O GLN A 14 -0.925 10.342 6.630 1.00 45.13 O ATOM 199 CB GLN A 14 -2.515 7.815 5.547 1.00 31.34 C ATOM 200 CG GLN A 14 -3.965 8.270 5.409 1.00 72.32 C ATOM 201 CD GLN A 14 -4.952 7.299 6.041 1.00 23.11 C ATOM 202 OE1 GLN A 14 -4.646 6.620 7.015 1.00 32.12 O ATOM 203 NE2 GLN A 14 -6.145 7.220 5.484 1.00 22.30 N ATOM 0 H GLN A 14 0.336 8.407 5.856 1.00 64.33 H new ATOM 0 HA GLN A 14 -1.758 8.888 3.847 1.00 13.32 H new ATOM 0 HB2 GLN A 14 -2.411 6.827 5.099 1.00 31.34 H new ATOM 0 HB3 GLN A 14 -2.277 7.712 6.606 1.00 31.34 H new ATOM 0 HG2 GLN A 14 -4.079 9.250 5.873 1.00 72.32 H new ATOM 0 HG3 GLN A 14 -4.205 8.388 4.352 1.00 72.32 H new ATOM 0 HE21 GLN A 14 -6.369 7.798 4.674 1.00 22.30 H new ATOM 0 HE22 GLN A 14 -6.843 6.581 5.863 1.00 22.30 H new ATOM 212 N ASN A 15 -2.250 11.088 4.966 1.00 1.34 N ATOM 213 CA ASN A 15 -2.355 12.465 5.485 1.00 0.11 C ATOM 214 C ASN A 15 -0.986 13.172 5.534 1.00 14.33 C ATOM 215 O ASN A 15 -0.846 14.227 6.154 1.00 45.23 O ATOM 216 CB ASN A 15 -3.000 12.475 6.883 1.00 31.13 C ATOM 217 CG ASN A 15 -4.408 11.908 6.885 1.00 33.02 C ATOM 218 OD1 ASN A 15 -5.131 11.995 5.900 1.00 62.33 O ATOM 219 ND2 ASN A 15 -4.816 11.330 7.997 1.00 54.43 N ATOM 0 H ASN A 15 -2.767 10.931 4.101 1.00 1.34 H new ATOM 0 HA ASN A 15 -2.991 13.016 4.793 1.00 0.11 H new ATOM 0 HB2 ASN A 15 -2.380 11.898 7.568 1.00 31.13 H new ATOM 0 HB3 ASN A 15 -3.024 13.498 7.260 1.00 31.13 H new ATOM 0 HD21 ASN A 15 -5.757 10.940 8.054 1.00 54.43 H new ATOM 0 HD22 ASN A 15 -4.191 11.273 8.801 1.00 54.43 H new ATOM 226 N GLY A 16 0.017 12.596 4.870 1.00 13.21 N ATOM 227 CA GLY A 16 1.354 13.190 4.852 1.00 73.34 C ATOM 228 C GLY A 16 2.368 12.466 5.742 1.00 62.44 C ATOM 229 O GLY A 16 3.577 12.654 5.594 1.00 35.51 O ATOM 0 H GLY A 16 -0.069 11.727 4.342 1.00 13.21 H new ATOM 0 HA2 GLY A 16 1.724 13.196 3.827 1.00 73.34 H new ATOM 0 HA3 GLY A 16 1.283 14.230 5.171 1.00 73.34 H new ATOM 233 N LYS A 17 1.884 11.635 6.666 1.00 52.13 N ATOM 234 CA LYS A 17 2.767 10.913 7.598 1.00 15.53 C ATOM 235 C LYS A 17 2.732 9.397 7.354 1.00 12.51 C ATOM 236 O LYS A 17 1.722 8.847 6.920 1.00 53.53 O ATOM 237 CB LYS A 17 2.373 11.214 9.053 1.00 2.23 C ATOM 238 CG LYS A 17 0.928 10.857 9.393 1.00 0.31 C ATOM 239 CD LYS A 17 0.606 11.042 10.882 1.00 71.32 C ATOM 240 CE LYS A 17 0.701 12.504 11.339 1.00 34.41 C ATOM 241 NZ LYS A 17 2.107 12.982 11.475 1.00 71.43 N ATOM 0 H LYS A 17 0.890 11.442 6.793 1.00 52.13 H new ATOM 0 HA LYS A 17 3.784 11.262 7.419 1.00 15.53 H new ATOM 0 HB2 LYS A 17 3.038 10.665 9.719 1.00 2.23 H new ATOM 0 HB3 LYS A 17 2.530 12.275 9.249 1.00 2.23 H new ATOM 0 HG2 LYS A 17 0.256 11.478 8.800 1.00 0.31 H new ATOM 0 HG3 LYS A 17 0.738 9.822 9.110 1.00 0.31 H new ATOM 0 HD2 LYS A 17 -0.399 10.670 11.080 1.00 71.32 H new ATOM 0 HD3 LYS A 17 1.292 10.437 11.474 1.00 71.32 H new ATOM 0 HE2 LYS A 17 0.175 13.137 10.624 1.00 34.41 H new ATOM 0 HE3 LYS A 17 0.192 12.613 12.296 1.00 34.41 H new ATOM 0 HZ1 LYS A 17 2.218 13.480 12.381 1.00 71.43 H new ATOM 0 HZ2 LYS A 17 2.755 12.169 11.445 1.00 71.43 H new ATOM 0 HZ3 LYS A 17 2.330 13.631 10.694 1.00 71.43 H new ATOM 255 N VAL A 18 3.842 8.726 7.643 1.00 34.42 N ATOM 256 CA VAL A 18 3.925 7.273 7.488 1.00 15.40 C ATOM 257 C VAL A 18 3.100 6.561 8.568 1.00 11.55 C ATOM 258 O VAL A 18 3.334 6.746 9.764 1.00 20.14 O ATOM 259 CB VAL A 18 5.394 6.782 7.558 1.00 62.44 C ATOM 260 CG1 VAL A 18 5.475 5.271 7.343 1.00 0.42 C ATOM 261 CG2 VAL A 18 6.262 7.530 6.544 1.00 53.33 C ATOM 0 H VAL A 18 4.698 9.162 7.986 1.00 34.42 H new ATOM 0 HA VAL A 18 3.520 7.029 6.506 1.00 15.40 H new ATOM 0 HB VAL A 18 5.778 6.997 8.555 1.00 62.44 H new ATOM 0 HG11 VAL A 18 6.516 4.951 7.397 1.00 0.42 H new ATOM 0 HG12 VAL A 18 4.899 4.762 8.116 1.00 0.42 H new ATOM 0 HG13 VAL A 18 5.069 5.021 6.363 1.00 0.42 H new ATOM 0 HG21 VAL A 18 7.289 7.171 6.609 1.00 53.33 H new ATOM 0 HG22 VAL A 18 5.879 7.355 5.538 1.00 53.33 H new ATOM 0 HG23 VAL A 18 6.237 8.598 6.761 1.00 53.33 H new ATOM 271 N ILE A 19 2.122 5.759 8.148 1.00 62.31 N ATOM 272 CA ILE A 19 1.260 5.039 9.094 1.00 45.42 C ATOM 273 C ILE A 19 1.693 3.575 9.272 1.00 24.44 C ATOM 274 O ILE A 19 1.481 2.981 10.332 1.00 60.44 O ATOM 275 CB ILE A 19 -0.232 5.086 8.664 1.00 11.02 C ATOM 276 CG1 ILE A 19 -0.431 4.401 7.299 1.00 62.24 C ATOM 277 CG2 ILE A 19 -0.730 6.532 8.627 1.00 25.12 C ATOM 278 CD1 ILE A 19 -1.881 4.316 6.861 1.00 65.35 C ATOM 0 H ILE A 19 1.905 5.590 7.166 1.00 62.31 H new ATOM 0 HA ILE A 19 1.369 5.552 10.050 1.00 45.42 H new ATOM 0 HB ILE A 19 -0.820 4.539 9.401 1.00 11.02 H new ATOM 0 HG12 ILE A 19 0.135 4.946 6.544 1.00 62.24 H new ATOM 0 HG13 ILE A 19 -0.015 3.394 7.344 1.00 62.24 H new ATOM 0 HG21 ILE A 19 -1.777 6.549 8.324 1.00 25.12 H new ATOM 0 HG22 ILE A 19 -0.632 6.976 9.618 1.00 25.12 H new ATOM 0 HG23 ILE A 19 -0.137 7.103 7.913 1.00 25.12 H new ATOM 0 HD11 ILE A 19 -1.940 3.821 5.891 1.00 65.35 H new ATOM 0 HD12 ILE A 19 -2.450 3.745 7.595 1.00 65.35 H new ATOM 0 HD13 ILE A 19 -2.297 5.321 6.782 1.00 65.35 H new ATOM 290 N ARG A 20 2.314 2.993 8.246 1.00 3.54 N ATOM 291 CA ARG A 20 2.717 1.584 8.297 1.00 73.21 C ATOM 292 C ARG A 20 3.854 1.282 7.299 1.00 23.31 C ATOM 293 O ARG A 20 3.896 1.846 6.206 1.00 65.43 O ATOM 294 CB ARG A 20 1.501 0.686 8.000 1.00 4.44 C ATOM 295 CG ARG A 20 1.644 -0.749 8.504 1.00 72.21 C ATOM 296 CD ARG A 20 1.652 -0.813 10.027 1.00 52.11 C ATOM 297 NE ARG A 20 0.470 -0.171 10.605 1.00 40.02 N ATOM 298 CZ ARG A 20 -0.562 -0.812 11.088 1.00 35.31 C ATOM 299 NH1 ARG A 20 -0.603 -2.106 11.086 1.00 73.24 N ATOM 300 NH2 ARG A 20 -1.557 -0.155 11.577 1.00 50.22 N ATOM 0 H ARG A 20 2.548 3.469 7.375 1.00 3.54 H new ATOM 0 HA ARG A 20 3.092 1.375 9.299 1.00 73.21 H new ATOM 0 HB2 ARG A 20 0.615 1.132 8.453 1.00 4.44 H new ATOM 0 HB3 ARG A 20 1.333 0.666 6.923 1.00 4.44 H new ATOM 0 HG2 ARG A 20 0.823 -1.354 8.119 1.00 72.21 H new ATOM 0 HG3 ARG A 20 2.567 -1.181 8.117 1.00 72.21 H new ATOM 0 HD2 ARG A 20 1.693 -1.854 10.347 1.00 52.11 H new ATOM 0 HD3 ARG A 20 2.551 -0.328 10.406 1.00 52.11 H new ATOM 0 HE ARG A 20 0.450 0.848 10.633 1.00 40.02 H new ATOM 0 HH11 ARG A 20 0.177 -2.640 10.704 1.00 73.24 H new ATOM 0 HH12 ARG A 20 -1.416 -2.591 11.467 1.00 73.24 H new ATOM 0 HH21 ARG A 20 -1.539 0.865 11.587 1.00 50.22 H new ATOM 0 HH22 ARG A 20 -2.362 -0.655 11.954 1.00 50.22 H new ATOM 314 N GLU A 21 4.779 0.404 7.690 1.00 3.22 N ATOM 315 CA GLU A 21 5.876 -0.030 6.808 1.00 50.25 C ATOM 316 C GLU A 21 5.955 -1.568 6.746 1.00 60.42 C ATOM 317 O GLU A 21 6.257 -2.222 7.744 1.00 73.02 O ATOM 318 CB GLU A 21 7.213 0.543 7.309 1.00 34.40 C ATOM 319 CG GLU A 21 7.251 2.068 7.371 1.00 71.45 C ATOM 320 CD GLU A 21 8.538 2.607 7.983 1.00 44.12 C ATOM 321 OE1 GLU A 21 9.529 2.789 7.244 1.00 21.01 O ATOM 322 OE2 GLU A 21 8.569 2.844 9.209 1.00 52.35 O ATOM 0 H GLU A 21 4.794 -0.025 8.615 1.00 3.22 H new ATOM 0 HA GLU A 21 5.677 0.345 5.804 1.00 50.25 H new ATOM 0 HB2 GLU A 21 7.418 0.144 8.302 1.00 34.40 H new ATOM 0 HB3 GLU A 21 8.013 0.196 6.655 1.00 34.40 H new ATOM 0 HG2 GLU A 21 7.138 2.470 6.364 1.00 71.45 H new ATOM 0 HG3 GLU A 21 6.401 2.424 7.954 1.00 71.45 H new ATOM 329 N ILE A 22 5.672 -2.143 5.577 1.00 51.25 N ATOM 330 CA ILE A 22 5.723 -3.605 5.401 1.00 54.11 C ATOM 331 C ILE A 22 6.942 -4.034 4.561 1.00 53.53 C ATOM 332 O ILE A 22 7.085 -3.624 3.409 1.00 71.35 O ATOM 333 CB ILE A 22 4.435 -4.168 4.723 1.00 12.13 C ATOM 334 CG1 ILE A 22 3.209 -4.057 5.652 1.00 24.31 C ATOM 335 CG2 ILE A 22 4.637 -5.625 4.294 1.00 44.23 C ATOM 336 CD1 ILE A 22 2.673 -2.653 5.819 1.00 13.11 C ATOM 0 H ILE A 22 5.406 -1.627 4.738 1.00 51.25 H new ATOM 0 HA ILE A 22 5.804 -4.018 6.407 1.00 54.11 H new ATOM 0 HB ILE A 22 4.245 -3.562 3.837 1.00 12.13 H new ATOM 0 HG12 ILE A 22 2.414 -4.692 5.261 1.00 24.31 H new ATOM 0 HG13 ILE A 22 3.476 -4.449 6.633 1.00 24.31 H new ATOM 0 HG21 ILE A 22 3.726 -5.996 3.824 1.00 44.23 H new ATOM 0 HG22 ILE A 22 5.462 -5.684 3.584 1.00 44.23 H new ATOM 0 HG23 ILE A 22 4.867 -6.233 5.169 1.00 44.23 H new ATOM 0 HD11 ILE A 22 1.812 -2.669 6.488 1.00 13.11 H new ATOM 0 HD12 ILE A 22 3.449 -2.015 6.242 1.00 13.11 H new ATOM 0 HD13 ILE A 22 2.371 -2.261 4.848 1.00 13.11 H new ATOM 348 N PRO A 23 7.846 -4.858 5.128 1.00 53.04 N ATOM 349 CA PRO A 23 8.950 -5.462 4.364 1.00 74.53 C ATOM 350 C PRO A 23 8.436 -6.453 3.304 1.00 61.34 C ATOM 351 O PRO A 23 7.718 -7.401 3.625 1.00 25.35 O ATOM 352 CB PRO A 23 9.787 -6.190 5.437 1.00 63.34 C ATOM 353 CG PRO A 23 9.330 -5.623 6.743 1.00 21.53 C ATOM 354 CD PRO A 23 7.887 -5.246 6.547 1.00 64.13 C ATOM 0 HA PRO A 23 9.521 -4.718 3.809 1.00 74.53 H new ATOM 0 HB2 PRO A 23 9.626 -7.267 5.398 1.00 63.34 H new ATOM 0 HB3 PRO A 23 10.853 -6.021 5.286 1.00 63.34 H new ATOM 0 HG2 PRO A 23 9.437 -6.354 7.545 1.00 21.53 H new ATOM 0 HG3 PRO A 23 9.926 -4.754 7.022 1.00 21.53 H new ATOM 0 HD2 PRO A 23 7.218 -6.080 6.759 1.00 64.13 H new ATOM 0 HD3 PRO A 23 7.590 -4.426 7.200 1.00 64.13 H new ATOM 362 N LEU A 24 8.796 -6.226 2.041 1.00 65.11 N ATOM 363 CA LEU A 24 8.326 -7.079 0.940 1.00 31.50 C ATOM 364 C LEU A 24 9.244 -8.290 0.738 1.00 44.43 C ATOM 365 O LEU A 24 8.797 -9.437 0.749 1.00 62.51 O ATOM 366 CB LEU A 24 8.247 -6.265 -0.358 1.00 4.21 C ATOM 367 CG LEU A 24 7.333 -5.029 -0.309 1.00 51.00 C ATOM 368 CD1 LEU A 24 7.331 -4.305 -1.653 1.00 71.44 C ATOM 369 CD2 LEU A 24 5.912 -5.420 0.099 1.00 55.00 C ATOM 0 H LEU A 24 9.408 -5.463 1.752 1.00 65.11 H new ATOM 0 HA LEU A 24 7.334 -7.446 1.202 1.00 31.50 H new ATOM 0 HB2 LEU A 24 9.253 -5.941 -0.625 1.00 4.21 H new ATOM 0 HB3 LEU A 24 7.900 -6.920 -1.157 1.00 4.21 H new ATOM 0 HG LEU A 24 7.726 -4.346 0.444 1.00 51.00 H new ATOM 0 HD11 LEU A 24 6.678 -3.434 -1.596 1.00 71.44 H new ATOM 0 HD12 LEU A 24 8.344 -3.984 -1.895 1.00 71.44 H new ATOM 0 HD13 LEU A 24 6.969 -4.979 -2.429 1.00 71.44 H new ATOM 0 HD21 LEU A 24 5.284 -4.530 0.127 1.00 55.00 H new ATOM 0 HD22 LEU A 24 5.507 -6.127 -0.625 1.00 55.00 H new ATOM 0 HD23 LEU A 24 5.931 -5.882 1.086 1.00 55.00 H new ATOM 381 N THR A 25 10.534 -8.027 0.555 1.00 44.41 N ATOM 382 CA THR A 25 11.515 -9.094 0.326 1.00 13.11 C ATOM 383 C THR A 25 11.622 -10.037 1.532 1.00 14.35 C ATOM 384 O THR A 25 12.177 -9.678 2.572 1.00 65.55 O ATOM 385 CB THR A 25 12.911 -8.510 0.020 1.00 23.41 C ATOM 386 OG1 THR A 25 12.814 -7.559 -1.045 1.00 73.35 O ATOM 387 CG2 THR A 25 13.900 -9.602 -0.373 1.00 50.41 C ATOM 0 H THR A 25 10.929 -7.087 0.560 1.00 44.41 H new ATOM 0 HA THR A 25 11.162 -9.662 -0.535 1.00 13.11 H new ATOM 0 HB THR A 25 13.275 -8.025 0.926 1.00 23.41 H new ATOM 0 HG1 THR A 25 13.709 -7.369 -1.396 1.00 73.35 H new ATOM 0 HG21 THR A 25 14.872 -9.155 -0.581 1.00 50.41 H new ATOM 0 HG22 THR A 25 13.997 -10.316 0.444 1.00 50.41 H new ATOM 0 HG23 THR A 25 13.539 -10.117 -1.264 1.00 50.41 H new ATOM 395 N GLY A 26 11.090 -11.249 1.381 1.00 62.23 N ATOM 396 CA GLY A 26 11.105 -12.225 2.469 1.00 33.41 C ATOM 397 C GLY A 26 9.829 -12.206 3.308 1.00 53.22 C ATOM 398 O GLY A 26 9.773 -12.815 4.380 1.00 13.24 O ATOM 0 H GLY A 26 10.647 -11.577 0.523 1.00 62.23 H new ATOM 0 HA2 GLY A 26 11.244 -13.223 2.052 1.00 33.41 H new ATOM 0 HA3 GLY A 26 11.960 -12.027 3.115 1.00 33.41 H new ATOM 402 N HIS A 27 8.802 -11.502 2.828 1.00 31.05 N ATOM 403 CA HIS A 27 7.517 -11.440 3.528 1.00 71.55 C ATOM 404 C HIS A 27 6.751 -12.768 3.401 1.00 21.11 C ATOM 405 O HIS A 27 5.939 -12.950 2.491 1.00 42.23 O ATOM 406 CB HIS A 27 6.671 -10.282 2.986 1.00 21.15 C ATOM 407 CG HIS A 27 5.343 -10.127 3.665 1.00 71.13 C ATOM 408 ND1 HIS A 27 4.257 -10.924 3.376 1.00 14.31 N ATOM 409 CD2 HIS A 27 4.929 -9.266 4.624 1.00 22.15 C ATOM 410 CE1 HIS A 27 3.237 -10.562 4.122 1.00 21.42 C ATOM 411 NE2 HIS A 27 3.614 -9.558 4.889 1.00 5.23 N ATOM 0 H HIS A 27 8.835 -10.968 1.960 1.00 31.05 H new ATOM 0 HA HIS A 27 7.716 -11.266 4.585 1.00 71.55 H new ATOM 0 HB2 HIS A 27 7.233 -9.354 3.093 1.00 21.15 H new ATOM 0 HB3 HIS A 27 6.507 -10.434 1.919 1.00 21.15 H new ATOM 0 HD2 HIS A 27 5.522 -8.494 5.093 1.00 22.15 H new ATOM 0 HE1 HIS A 27 2.255 -11.011 4.109 1.00 21.42 H new ATOM 0 HE2 HIS A 27 3.025 -9.077 5.568 1.00 5.23 H new ATOM 420 N LYS A 28 7.032 -13.688 4.318 1.00 21.44 N ATOM 421 CA LYS A 28 6.414 -15.022 4.317 1.00 54.42 C ATOM 422 C LYS A 28 4.872 -14.969 4.286 1.00 51.55 C ATOM 423 O LYS A 28 4.241 -14.230 5.048 1.00 21.32 O ATOM 424 CB LYS A 28 6.893 -15.816 5.543 1.00 53.34 C ATOM 425 CG LYS A 28 6.671 -15.095 6.873 1.00 72.23 C ATOM 426 CD LYS A 28 7.191 -15.906 8.059 1.00 64.43 C ATOM 427 CE LYS A 28 6.425 -17.212 8.241 1.00 64.23 C ATOM 428 NZ LYS A 28 6.951 -18.011 9.381 1.00 42.33 N ATOM 0 H LYS A 28 7.691 -13.537 5.082 1.00 21.44 H new ATOM 0 HA LYS A 28 6.729 -15.522 3.401 1.00 54.42 H new ATOM 0 HB2 LYS A 28 6.373 -16.774 5.569 1.00 53.34 H new ATOM 0 HB3 LYS A 28 7.955 -16.033 5.431 1.00 53.34 H new ATOM 0 HG2 LYS A 28 7.172 -14.127 6.848 1.00 72.23 H new ATOM 0 HG3 LYS A 28 5.607 -14.900 7.006 1.00 72.23 H new ATOM 0 HD2 LYS A 28 8.249 -16.124 7.912 1.00 64.43 H new ATOM 0 HD3 LYS A 28 7.111 -15.310 8.968 1.00 64.43 H new ATOM 0 HE2 LYS A 28 5.370 -16.994 8.407 1.00 64.23 H new ATOM 0 HE3 LYS A 28 6.488 -17.800 7.326 1.00 64.23 H new ATOM 0 HZ1 LYS A 28 6.403 -18.890 9.471 1.00 42.33 H new ATOM 0 HZ2 LYS A 28 7.951 -18.242 9.211 1.00 42.33 H new ATOM 0 HZ3 LYS A 28 6.867 -17.460 10.259 1.00 42.33 H new ATOM 442 N GLY A 29 4.279 -15.756 3.386 1.00 73.31 N ATOM 443 CA GLY A 29 2.823 -15.883 3.317 1.00 64.22 C ATOM 444 C GLY A 29 2.116 -14.716 2.622 1.00 60.25 C ATOM 445 O GLY A 29 2.736 -13.941 1.883 1.00 34.22 O ATOM 0 H GLY A 29 4.784 -16.313 2.697 1.00 73.31 H new ATOM 0 HA2 GLY A 29 2.576 -16.806 2.792 1.00 64.22 H new ATOM 0 HA3 GLY A 29 2.431 -15.978 4.330 1.00 64.22 H new ATOM 449 N ASN A 30 0.808 -14.604 2.863 1.00 51.31 N ATOM 450 CA ASN A 30 -0.021 -13.534 2.292 1.00 4.30 C ATOM 451 C ASN A 30 -0.625 -12.681 3.420 1.00 71.33 C ATOM 452 O ASN A 30 -1.016 -13.205 4.465 1.00 13.30 O ATOM 453 CB ASN A 30 -1.143 -14.143 1.433 1.00 52.11 C ATOM 454 CG ASN A 30 -2.006 -13.098 0.741 1.00 40.42 C ATOM 455 OD1 ASN A 30 -2.961 -12.588 1.317 1.00 70.41 O ATOM 456 ND2 ASN A 30 -1.699 -12.791 -0.501 1.00 41.33 N ATOM 0 H ASN A 30 0.291 -15.251 3.459 1.00 51.31 H new ATOM 0 HA ASN A 30 0.602 -12.898 1.662 1.00 4.30 H new ATOM 0 HB2 ASN A 30 -0.701 -14.796 0.680 1.00 52.11 H new ATOM 0 HB3 ASN A 30 -1.776 -14.767 2.064 1.00 52.11 H new ATOM 0 HD21 ASN A 30 -2.262 -12.111 -1.012 1.00 41.33 H new ATOM 0 HD22 ASN A 30 -0.898 -13.233 -0.952 1.00 41.33 H new ATOM 463 N GLU A 31 -0.708 -11.371 3.209 1.00 71.22 N ATOM 464 CA GLU A 31 -1.173 -10.449 4.257 1.00 23.15 C ATOM 465 C GLU A 31 -2.026 -9.309 3.672 1.00 15.45 C ATOM 466 O GLU A 31 -1.589 -8.600 2.769 1.00 54.44 O ATOM 467 CB GLU A 31 0.047 -9.887 4.997 1.00 12.34 C ATOM 468 CG GLU A 31 -0.271 -8.888 6.101 1.00 35.02 C ATOM 469 CD GLU A 31 0.983 -8.425 6.824 1.00 43.21 C ATOM 470 OE1 GLU A 31 1.818 -7.740 6.197 1.00 72.40 O ATOM 471 OE2 GLU A 31 1.157 -8.761 8.015 1.00 34.53 O ATOM 0 H GLU A 31 -0.462 -10.919 2.328 1.00 71.22 H new ATOM 0 HA GLU A 31 -1.809 -10.997 4.953 1.00 23.15 H new ATOM 0 HB2 GLU A 31 0.605 -10.718 5.430 1.00 12.34 H new ATOM 0 HB3 GLU A 31 0.703 -9.406 4.271 1.00 12.34 H new ATOM 0 HG2 GLU A 31 -0.783 -8.026 5.674 1.00 35.02 H new ATOM 0 HG3 GLU A 31 -0.956 -9.343 6.817 1.00 35.02 H new ATOM 478 N GLN A 32 -3.245 -9.145 4.192 1.00 32.40 N ATOM 479 CA GLN A 32 -4.159 -8.091 3.723 1.00 4.22 C ATOM 480 C GLN A 32 -4.494 -7.093 4.849 1.00 74.45 C ATOM 481 O GLN A 32 -4.891 -7.494 5.944 1.00 11.21 O ATOM 482 CB GLN A 32 -5.465 -8.714 3.204 1.00 60.44 C ATOM 483 CG GLN A 32 -5.266 -9.763 2.115 1.00 35.13 C ATOM 484 CD GLN A 32 -6.561 -10.454 1.727 1.00 34.43 C ATOM 485 OE1 GLN A 32 -7.469 -10.609 2.539 1.00 53.21 O ATOM 486 NE2 GLN A 32 -6.660 -10.887 0.488 1.00 14.52 N ATOM 0 H GLN A 32 -3.625 -9.727 4.938 1.00 32.40 H new ATOM 0 HA GLN A 32 -3.655 -7.555 2.919 1.00 4.22 H new ATOM 0 HB2 GLN A 32 -5.995 -9.170 4.040 1.00 60.44 H new ATOM 0 HB3 GLN A 32 -6.104 -7.921 2.817 1.00 60.44 H new ATOM 0 HG2 GLN A 32 -4.833 -9.289 1.234 1.00 35.13 H new ATOM 0 HG3 GLN A 32 -4.550 -10.509 2.460 1.00 35.13 H new ATOM 0 HE21 GLN A 32 -5.890 -10.744 -0.165 1.00 14.52 H new ATOM 0 HE22 GLN A 32 -7.507 -11.365 0.181 1.00 14.52 H new ATOM 495 N PHE A 33 -4.354 -5.794 4.572 1.00 43.43 N ATOM 496 CA PHE A 33 -4.721 -4.753 5.547 1.00 74.35 C ATOM 497 C PHE A 33 -5.486 -3.593 4.884 1.00 23.04 C ATOM 498 O PHE A 33 -5.202 -3.206 3.748 1.00 55.31 O ATOM 499 CB PHE A 33 -3.482 -4.236 6.306 1.00 2.32 C ATOM 500 CG PHE A 33 -2.413 -3.600 5.441 1.00 34.23 C ATOM 501 CD1 PHE A 33 -1.422 -4.373 4.851 1.00 64.44 C ATOM 502 CD2 PHE A 33 -2.390 -2.225 5.234 1.00 13.12 C ATOM 503 CE1 PHE A 33 -0.436 -3.793 4.073 1.00 24.33 C ATOM 504 CE2 PHE A 33 -1.406 -1.641 4.455 1.00 4.25 C ATOM 505 CZ PHE A 33 -0.430 -2.427 3.875 1.00 53.42 C ATOM 0 H PHE A 33 -3.992 -5.436 3.688 1.00 43.43 H new ATOM 0 HA PHE A 33 -5.392 -5.214 6.272 1.00 74.35 H new ATOM 0 HB2 PHE A 33 -3.808 -3.506 7.047 1.00 2.32 H new ATOM 0 HB3 PHE A 33 -3.037 -5.068 6.852 1.00 2.32 H new ATOM 0 HD1 PHE A 33 -1.421 -5.442 5.002 1.00 64.44 H new ATOM 0 HD2 PHE A 33 -3.150 -1.605 5.687 1.00 13.12 H new ATOM 0 HE1 PHE A 33 0.328 -4.408 3.621 1.00 24.33 H new ATOM 0 HE2 PHE A 33 -1.402 -0.572 4.301 1.00 4.25 H new ATOM 0 HZ PHE A 33 0.338 -1.973 3.266 1.00 53.42 H new ATOM 515 N THR A 34 -6.463 -3.049 5.608 1.00 53.43 N ATOM 516 CA THR A 34 -7.349 -2.004 5.075 1.00 51.33 C ATOM 517 C THR A 34 -6.954 -0.607 5.576 1.00 51.43 C ATOM 518 O THR A 34 -6.924 -0.353 6.782 1.00 53.43 O ATOM 519 CB THR A 34 -8.827 -2.269 5.471 1.00 24.22 C ATOM 520 OG1 THR A 34 -9.206 -3.612 5.126 1.00 34.13 O ATOM 521 CG2 THR A 34 -9.770 -1.285 4.781 1.00 33.24 C ATOM 0 H THR A 34 -6.665 -3.314 6.572 1.00 53.43 H new ATOM 0 HA THR A 34 -7.243 -2.036 3.991 1.00 51.33 H new ATOM 0 HB THR A 34 -8.908 -2.133 6.549 1.00 24.22 H new ATOM 0 HG1 THR A 34 -10.139 -3.765 5.383 1.00 34.13 H new ATOM 0 HG21 THR A 34 -10.797 -1.496 5.078 1.00 33.24 H new ATOM 0 HG22 THR A 34 -9.510 -0.267 5.072 1.00 33.24 H new ATOM 0 HG23 THR A 34 -9.677 -1.389 3.700 1.00 33.24 H new ATOM 529 N ILE A 35 -6.656 0.294 4.647 1.00 11.40 N ATOM 530 CA ILE A 35 -6.358 1.692 4.980 1.00 2.12 C ATOM 531 C ILE A 35 -7.635 2.547 4.903 1.00 10.02 C ATOM 532 O ILE A 35 -8.115 2.861 3.815 1.00 11.04 O ATOM 533 CB ILE A 35 -5.297 2.281 4.015 1.00 63.12 C ATOM 534 CG1 ILE A 35 -4.054 1.376 3.963 1.00 61.32 C ATOM 535 CG2 ILE A 35 -4.911 3.701 4.441 1.00 42.11 C ATOM 536 CD1 ILE A 35 -3.034 1.803 2.927 1.00 2.42 C ATOM 0 H ILE A 35 -6.613 0.085 3.650 1.00 11.40 H new ATOM 0 HA ILE A 35 -5.964 1.711 5.996 1.00 2.12 H new ATOM 0 HB ILE A 35 -5.730 2.329 3.016 1.00 63.12 H new ATOM 0 HG12 ILE A 35 -3.580 1.367 4.945 1.00 61.32 H new ATOM 0 HG13 ILE A 35 -4.368 0.354 3.751 1.00 61.32 H new ATOM 0 HG21 ILE A 35 -4.165 4.098 3.752 1.00 42.11 H new ATOM 0 HG22 ILE A 35 -5.795 4.338 4.425 1.00 42.11 H new ATOM 0 HG23 ILE A 35 -4.497 3.679 5.449 1.00 42.11 H new ATOM 0 HD11 ILE A 35 -2.186 1.119 2.948 1.00 2.42 H new ATOM 0 HD12 ILE A 35 -3.491 1.784 1.937 1.00 2.42 H new ATOM 0 HD13 ILE A 35 -2.691 2.813 3.149 1.00 2.42 H new ATOM 548 N LYS A 36 -8.189 2.913 6.056 1.00 24.34 N ATOM 549 CA LYS A 36 -9.454 3.660 6.099 1.00 34.03 C ATOM 550 C LYS A 36 -9.226 5.158 6.350 1.00 33.05 C ATOM 551 O LYS A 36 -8.757 5.558 7.418 1.00 70.22 O ATOM 552 CB LYS A 36 -10.368 3.081 7.188 1.00 14.24 C ATOM 553 CG LYS A 36 -10.735 1.616 6.963 1.00 70.42 C ATOM 554 CD LYS A 36 -11.665 1.085 8.053 1.00 32.14 C ATOM 555 CE LYS A 36 -11.022 1.142 9.435 1.00 35.13 C ATOM 556 NZ LYS A 36 -9.763 0.355 9.500 1.00 12.33 N ATOM 0 H LYS A 36 -7.788 2.708 6.971 1.00 24.34 H new ATOM 0 HA LYS A 36 -9.932 3.556 5.125 1.00 34.03 H new ATOM 0 HB2 LYS A 36 -9.874 3.179 8.155 1.00 14.24 H new ATOM 0 HB3 LYS A 36 -11.282 3.673 7.236 1.00 14.24 H new ATOM 0 HG2 LYS A 36 -11.217 1.508 5.991 1.00 70.42 H new ATOM 0 HG3 LYS A 36 -9.826 1.014 6.937 1.00 70.42 H new ATOM 0 HD2 LYS A 36 -12.586 1.668 8.058 1.00 32.14 H new ATOM 0 HD3 LYS A 36 -11.940 0.055 7.824 1.00 32.14 H new ATOM 0 HE2 LYS A 36 -10.814 2.180 9.695 1.00 35.13 H new ATOM 0 HE3 LYS A 36 -11.725 0.763 10.177 1.00 35.13 H new ATOM 0 HZ1 LYS A 36 -9.451 0.280 10.489 1.00 12.33 H new ATOM 0 HZ2 LYS A 36 -9.929 -0.597 9.116 1.00 12.33 H new ATOM 0 HZ3 LYS A 36 -9.027 0.831 8.940 1.00 12.33 H new ATOM 570 N GLY A 37 -9.549 5.979 5.355 1.00 63.45 N ATOM 571 CA GLY A 37 -9.457 7.427 5.507 1.00 21.00 C ATOM 572 C GLY A 37 -10.713 8.031 6.125 1.00 41.25 C ATOM 573 O GLY A 37 -10.679 8.556 7.240 1.00 54.10 O ATOM 0 H GLY A 37 -9.875 5.668 4.440 1.00 63.45 H new ATOM 0 HA2 GLY A 37 -8.597 7.669 6.131 1.00 21.00 H new ATOM 0 HA3 GLY A 37 -9.282 7.881 4.532 1.00 21.00 H new ATOM 577 N LYS A 38 -11.831 7.948 5.406 1.00 41.32 N ATOM 578 CA LYS A 38 -13.109 8.490 5.892 1.00 71.20 C ATOM 579 C LYS A 38 -14.287 7.573 5.519 1.00 71.22 C ATOM 580 O LYS A 38 -14.906 7.743 4.466 1.00 63.30 O ATOM 581 CB LYS A 38 -13.354 9.905 5.330 1.00 52.21 C ATOM 582 CG LYS A 38 -12.320 10.946 5.772 1.00 13.23 C ATOM 583 CD LYS A 38 -12.603 12.329 5.181 1.00 43.22 C ATOM 584 CE LYS A 38 -13.925 12.910 5.680 1.00 30.34 C ATOM 585 NZ LYS A 38 -13.933 13.094 7.156 1.00 63.42 N ATOM 0 H LYS A 38 -11.883 7.512 4.485 1.00 41.32 H new ATOM 0 HA LYS A 38 -13.045 8.544 6.979 1.00 71.20 H new ATOM 0 HB2 LYS A 38 -13.360 9.855 4.241 1.00 52.21 H new ATOM 0 HB3 LYS A 38 -14.344 10.240 5.639 1.00 52.21 H new ATOM 0 HG2 LYS A 38 -12.315 11.012 6.860 1.00 13.23 H new ATOM 0 HG3 LYS A 38 -11.325 10.619 5.468 1.00 13.23 H new ATOM 0 HD2 LYS A 38 -11.789 13.006 5.440 1.00 43.22 H new ATOM 0 HD3 LYS A 38 -12.626 12.260 4.093 1.00 43.22 H new ATOM 0 HE2 LYS A 38 -14.105 13.869 5.194 1.00 30.34 H new ATOM 0 HE3 LYS A 38 -14.743 12.249 5.393 1.00 30.34 H new ATOM 0 HZ1 LYS A 38 -14.763 13.657 7.431 1.00 63.42 H new ATOM 0 HZ2 LYS A 38 -13.975 12.165 7.621 1.00 63.42 H new ATOM 0 HZ3 LYS A 38 -13.067 13.589 7.449 1.00 63.42 H new ATOM 599 N GLY A 39 -14.572 6.594 6.378 1.00 60.13 N ATOM 600 CA GLY A 39 -15.702 5.684 6.167 1.00 53.33 C ATOM 601 C GLY A 39 -15.681 4.960 4.819 1.00 24.42 C ATOM 602 O GLY A 39 -15.170 3.839 4.708 1.00 63.33 O ATOM 0 H GLY A 39 -14.037 6.409 7.227 1.00 60.13 H new ATOM 0 HA2 GLY A 39 -15.710 4.942 6.965 1.00 53.33 H new ATOM 0 HA3 GLY A 39 -16.630 6.250 6.248 1.00 53.33 H new ATOM 606 N ALA A 40 -16.244 5.605 3.795 1.00 23.23 N ATOM 607 CA ALA A 40 -16.305 5.038 2.440 1.00 20.52 C ATOM 608 C ALA A 40 -14.970 5.199 1.699 1.00 73.42 C ATOM 609 O ALA A 40 -14.681 4.473 0.749 1.00 21.44 O ATOM 610 CB ALA A 40 -17.433 5.694 1.648 1.00 10.43 C ATOM 0 H ALA A 40 -16.669 6.529 3.877 1.00 23.23 H new ATOM 0 HA ALA A 40 -16.505 3.970 2.533 1.00 20.52 H new ATOM 0 HB1 ALA A 40 -17.470 5.267 0.646 1.00 10.43 H new ATOM 0 HB2 ALA A 40 -18.383 5.517 2.153 1.00 10.43 H new ATOM 0 HB3 ALA A 40 -17.253 6.767 1.579 1.00 10.43 H new ATOM 616 N GLN A 41 -14.161 6.158 2.128 1.00 52.41 N ATOM 617 CA GLN A 41 -12.839 6.366 1.532 1.00 75.21 C ATOM 618 C GLN A 41 -11.808 5.402 2.136 1.00 34.04 C ATOM 619 O GLN A 41 -11.239 5.678 3.194 1.00 70.11 O ATOM 620 CB GLN A 41 -12.379 7.817 1.730 1.00 2.41 C ATOM 621 CG GLN A 41 -13.275 8.862 1.064 1.00 32.43 C ATOM 622 CD GLN A 41 -13.262 8.794 -0.458 1.00 61.30 C ATOM 623 OE1 GLN A 41 -13.109 7.733 -1.055 1.00 14.50 O ATOM 624 NE2 GLN A 41 -13.395 9.934 -1.100 1.00 64.54 N ATOM 0 H GLN A 41 -14.391 6.804 2.883 1.00 52.41 H new ATOM 0 HA GLN A 41 -12.918 6.164 0.464 1.00 75.21 H new ATOM 0 HB2 GLN A 41 -12.330 8.027 2.798 1.00 2.41 H new ATOM 0 HB3 GLN A 41 -11.367 7.921 1.338 1.00 2.41 H new ATOM 0 HG2 GLN A 41 -14.298 8.730 1.417 1.00 32.43 H new ATOM 0 HG3 GLN A 41 -12.956 9.856 1.378 1.00 32.43 H new ATOM 0 HE21 GLN A 41 -13.521 10.801 -0.578 1.00 64.54 H new ATOM 0 HE22 GLN A 41 -13.372 9.951 -2.120 1.00 64.54 H new ATOM 633 N TYR A 42 -11.578 4.270 1.467 1.00 0.21 N ATOM 634 CA TYR A 42 -10.656 3.244 1.981 1.00 61.44 C ATOM 635 C TYR A 42 -9.875 2.539 0.853 1.00 64.24 C ATOM 636 O TYR A 42 -10.273 2.576 -0.315 1.00 33.25 O ATOM 637 CB TYR A 42 -11.441 2.199 2.792 1.00 14.34 C ATOM 638 CG TYR A 42 -12.309 1.276 1.948 1.00 31.42 C ATOM 639 CD1 TYR A 42 -13.455 1.747 1.311 1.00 10.21 C ATOM 640 CD2 TYR A 42 -11.979 -0.069 1.787 1.00 31.43 C ATOM 641 CE1 TYR A 42 -14.243 0.909 0.550 1.00 72.55 C ATOM 642 CE2 TYR A 42 -12.765 -0.910 1.023 1.00 31.35 C ATOM 643 CZ TYR A 42 -13.894 -0.416 0.406 1.00 72.33 C ATOM 644 OH TYR A 42 -14.680 -1.257 -0.350 1.00 13.02 O ATOM 0 H TYR A 42 -12.012 4.038 0.574 1.00 0.21 H new ATOM 0 HA TYR A 42 -9.930 3.750 2.618 1.00 61.44 H new ATOM 0 HB2 TYR A 42 -10.736 1.595 3.363 1.00 14.34 H new ATOM 0 HB3 TYR A 42 -12.074 2.716 3.513 1.00 14.34 H new ATOM 0 HD1 TYR A 42 -13.731 2.786 1.415 1.00 10.21 H new ATOM 0 HD2 TYR A 42 -11.094 -0.460 2.267 1.00 31.43 H new ATOM 0 HE1 TYR A 42 -15.131 1.290 0.068 1.00 72.55 H new ATOM 0 HE2 TYR A 42 -12.496 -1.950 0.910 1.00 31.35 H new ATOM 0 HH TYR A 42 -15.118 -0.744 -1.061 1.00 13.02 H new ATOM 654 N ASN A 43 -8.762 1.903 1.221 1.00 30.10 N ATOM 655 CA ASN A 43 -7.970 1.078 0.295 1.00 14.11 C ATOM 656 C ASN A 43 -7.684 -0.301 0.909 1.00 11.25 C ATOM 657 O ASN A 43 -7.486 -0.417 2.117 1.00 63.33 O ATOM 658 CB ASN A 43 -6.638 1.765 -0.044 1.00 72.41 C ATOM 659 CG ASN A 43 -6.819 3.040 -0.840 1.00 33.20 C ATOM 660 OD1 ASN A 43 -6.912 4.130 -0.283 1.00 13.24 O ATOM 661 ND2 ASN A 43 -6.881 2.915 -2.149 1.00 23.23 N ATOM 0 H ASN A 43 -8.381 1.942 2.166 1.00 30.10 H new ATOM 0 HA ASN A 43 -8.552 0.954 -0.618 1.00 14.11 H new ATOM 0 HB2 ASN A 43 -6.106 1.992 0.880 1.00 72.41 H new ATOM 0 HB3 ASN A 43 -6.013 1.075 -0.610 1.00 72.41 H new ATOM 0 HD21 ASN A 43 -7.010 3.740 -2.735 1.00 23.23 H new ATOM 0 HD22 ASN A 43 -6.800 1.993 -2.578 1.00 23.23 H new ATOM 668 N LEU A 44 -7.659 -1.342 0.082 1.00 31.53 N ATOM 669 CA LEU A 44 -7.352 -2.696 0.565 1.00 34.24 C ATOM 670 C LEU A 44 -6.027 -3.203 -0.022 1.00 2.03 C ATOM 671 O LEU A 44 -5.944 -3.540 -1.209 1.00 53.34 O ATOM 672 CB LEU A 44 -8.492 -3.665 0.218 1.00 25.00 C ATOM 673 CG LEU A 44 -8.301 -5.109 0.717 1.00 54.33 C ATOM 674 CD1 LEU A 44 -8.137 -5.155 2.237 1.00 50.43 C ATOM 675 CD2 LEU A 44 -9.464 -5.993 0.269 1.00 43.02 C ATOM 0 H LEU A 44 -7.845 -1.281 -0.919 1.00 31.53 H new ATOM 0 HA LEU A 44 -7.250 -2.650 1.649 1.00 34.24 H new ATOM 0 HB2 LEU A 44 -9.420 -3.273 0.635 1.00 25.00 H new ATOM 0 HB3 LEU A 44 -8.613 -3.685 -0.865 1.00 25.00 H new ATOM 0 HG LEU A 44 -7.384 -5.497 0.273 1.00 54.33 H new ATOM 0 HD11 LEU A 44 -8.004 -6.188 2.558 1.00 50.43 H new ATOM 0 HD12 LEU A 44 -7.264 -4.570 2.527 1.00 50.43 H new ATOM 0 HD13 LEU A 44 -9.026 -4.739 2.712 1.00 50.43 H new ATOM 0 HD21 LEU A 44 -9.309 -7.009 0.632 1.00 43.02 H new ATOM 0 HD22 LEU A 44 -10.397 -5.601 0.675 1.00 43.02 H new ATOM 0 HD23 LEU A 44 -9.517 -6.001 -0.820 1.00 43.02 H new ATOM 687 N MET A 45 -4.997 -3.259 0.817 1.00 70.15 N ATOM 688 CA MET A 45 -3.652 -3.659 0.385 1.00 30.43 C ATOM 689 C MET A 45 -3.412 -5.160 0.619 1.00 50.23 C ATOM 690 O MET A 45 -3.821 -5.712 1.643 1.00 70.35 O ATOM 691 CB MET A 45 -2.594 -2.850 1.149 1.00 34.32 C ATOM 692 CG MET A 45 -2.791 -1.340 1.078 1.00 70.24 C ATOM 693 SD MET A 45 -2.625 -0.685 -0.594 1.00 34.54 S ATOM 694 CE MET A 45 -0.914 -1.078 -0.955 1.00 62.53 C ATOM 0 H MET A 45 -5.065 -3.031 1.809 1.00 70.15 H new ATOM 0 HA MET A 45 -3.572 -3.459 -0.683 1.00 30.43 H new ATOM 0 HB2 MET A 45 -2.603 -3.158 2.195 1.00 34.32 H new ATOM 0 HB3 MET A 45 -1.609 -3.096 0.753 1.00 34.32 H new ATOM 0 HG2 MET A 45 -3.779 -1.090 1.464 1.00 70.24 H new ATOM 0 HG3 MET A 45 -2.063 -0.853 1.727 1.00 70.24 H new ATOM 0 HE1 MET A 45 -0.576 -0.486 -1.805 1.00 62.53 H new ATOM 0 HE2 MET A 45 -0.297 -0.850 -0.086 1.00 62.53 H new ATOM 0 HE3 MET A 45 -0.827 -2.138 -1.194 1.00 62.53 H new ATOM 704 N GLU A 46 -2.746 -5.811 -0.331 1.00 71.21 N ATOM 705 CA GLU A 46 -2.384 -7.227 -0.200 1.00 74.00 C ATOM 706 C GLU A 46 -0.901 -7.456 -0.522 1.00 3.51 C ATOM 707 O GLU A 46 -0.435 -7.148 -1.622 1.00 25.42 O ATOM 708 CB GLU A 46 -3.248 -8.096 -1.122 1.00 72.40 C ATOM 709 CG GLU A 46 -2.845 -9.572 -1.117 1.00 34.41 C ATOM 710 CD GLU A 46 -3.721 -10.436 -2.009 1.00 70.03 C ATOM 711 OE1 GLU A 46 -3.520 -10.435 -3.237 1.00 41.33 O ATOM 712 OE2 GLU A 46 -4.617 -11.124 -1.483 1.00 13.01 O ATOM 0 H GLU A 46 -2.443 -5.382 -1.205 1.00 71.21 H new ATOM 0 HA GLU A 46 -2.564 -7.514 0.836 1.00 74.00 H new ATOM 0 HB2 GLU A 46 -4.291 -8.011 -0.817 1.00 72.40 H new ATOM 0 HB3 GLU A 46 -3.181 -7.712 -2.140 1.00 72.40 H new ATOM 0 HG2 GLU A 46 -1.808 -9.660 -1.442 1.00 34.41 H new ATOM 0 HG3 GLU A 46 -2.892 -9.951 -0.096 1.00 34.41 H new ATOM 719 N VAL A 47 -0.167 -7.990 0.449 1.00 10.32 N ATOM 720 CA VAL A 47 1.242 -8.345 0.267 1.00 71.45 C ATOM 721 C VAL A 47 1.407 -9.869 0.135 1.00 1.02 C ATOM 722 O VAL A 47 1.246 -10.608 1.111 1.00 41.52 O ATOM 723 CB VAL A 47 2.108 -7.847 1.453 1.00 34.20 C ATOM 724 CG1 VAL A 47 3.593 -8.098 1.188 1.00 21.23 C ATOM 725 CG2 VAL A 47 1.841 -6.369 1.730 1.00 43.15 C ATOM 0 H VAL A 47 -0.528 -8.189 1.382 1.00 10.32 H new ATOM 0 HA VAL A 47 1.580 -7.859 -0.648 1.00 71.45 H new ATOM 0 HB VAL A 47 1.829 -8.413 2.341 1.00 34.20 H new ATOM 0 HG11 VAL A 47 4.179 -7.740 2.034 1.00 21.23 H new ATOM 0 HG12 VAL A 47 3.763 -9.166 1.055 1.00 21.23 H new ATOM 0 HG13 VAL A 47 3.896 -7.567 0.286 1.00 21.23 H new ATOM 0 HG21 VAL A 47 2.458 -6.038 2.565 1.00 43.15 H new ATOM 0 HG22 VAL A 47 2.085 -5.783 0.844 1.00 43.15 H new ATOM 0 HG23 VAL A 47 0.789 -6.230 1.978 1.00 43.15 H new ATOM 735 N ASP A 48 1.725 -10.335 -1.069 1.00 60.05 N ATOM 736 CA ASP A 48 1.919 -11.766 -1.322 1.00 4.50 C ATOM 737 C ASP A 48 3.402 -12.067 -1.571 1.00 52.12 C ATOM 738 O ASP A 48 3.946 -11.746 -2.632 1.00 15.12 O ATOM 739 CB ASP A 48 1.076 -12.209 -2.525 1.00 21.51 C ATOM 740 CG ASP A 48 1.057 -13.720 -2.696 1.00 61.25 C ATOM 741 OD1 ASP A 48 1.975 -14.271 -3.344 1.00 64.24 O ATOM 742 OD2 ASP A 48 0.126 -14.366 -2.174 1.00 13.52 O ATOM 0 H ASP A 48 1.855 -9.743 -1.890 1.00 60.05 H new ATOM 0 HA ASP A 48 1.595 -12.324 -0.443 1.00 4.50 H new ATOM 0 HB2 ASP A 48 0.055 -11.847 -2.402 1.00 21.51 H new ATOM 0 HB3 ASP A 48 1.471 -11.749 -3.431 1.00 21.51 H new ATOM 747 N GLY A 49 4.061 -12.674 -0.588 1.00 3.21 N ATOM 748 CA GLY A 49 5.486 -12.946 -0.702 1.00 65.51 C ATOM 749 C GLY A 49 6.319 -11.686 -0.929 1.00 40.14 C ATOM 750 O GLY A 49 6.364 -10.802 -0.076 1.00 22.03 O ATOM 0 H GLY A 49 3.635 -12.983 0.286 1.00 3.21 H new ATOM 0 HA2 GLY A 49 5.829 -13.443 0.206 1.00 65.51 H new ATOM 0 HA3 GLY A 49 5.653 -13.639 -1.527 1.00 65.51 H new ATOM 754 N GLU A 50 6.953 -11.594 -2.094 1.00 43.43 N ATOM 755 CA GLU A 50 7.839 -10.466 -2.423 1.00 43.42 C ATOM 756 C GLU A 50 7.185 -9.506 -3.435 1.00 20.44 C ATOM 757 O GLU A 50 7.860 -8.941 -4.299 1.00 35.50 O ATOM 758 CB GLU A 50 9.154 -11.016 -2.987 1.00 51.22 C ATOM 759 CG GLU A 50 9.856 -11.998 -2.054 1.00 70.13 C ATOM 760 CD GLU A 50 11.011 -12.722 -2.723 1.00 35.45 C ATOM 761 OE1 GLU A 50 10.749 -13.652 -3.516 1.00 61.24 O ATOM 762 OE2 GLU A 50 12.179 -12.363 -2.471 1.00 62.12 O ATOM 0 H GLU A 50 6.873 -12.290 -2.836 1.00 43.43 H new ATOM 0 HA GLU A 50 8.030 -9.896 -1.514 1.00 43.42 H new ATOM 0 HB2 GLU A 50 8.953 -11.511 -3.937 1.00 51.22 H new ATOM 0 HB3 GLU A 50 9.826 -10.184 -3.197 1.00 51.22 H new ATOM 0 HG2 GLU A 50 10.227 -11.461 -1.181 1.00 70.13 H new ATOM 0 HG3 GLU A 50 9.133 -12.731 -1.695 1.00 70.13 H new ATOM 769 N ARG A 51 5.870 -9.327 -3.326 1.00 23.11 N ATOM 770 CA ARG A 51 5.125 -8.431 -4.224 1.00 45.43 C ATOM 771 C ARG A 51 3.832 -7.921 -3.564 1.00 30.32 C ATOM 772 O ARG A 51 3.179 -8.643 -2.809 1.00 23.44 O ATOM 773 CB ARG A 51 4.817 -9.149 -5.547 1.00 73.14 C ATOM 774 CG ARG A 51 4.093 -10.481 -5.373 1.00 10.23 C ATOM 775 CD ARG A 51 3.973 -11.242 -6.689 1.00 23.31 C ATOM 776 NE ARG A 51 5.283 -11.565 -7.255 1.00 53.22 N ATOM 777 CZ ARG A 51 5.491 -12.498 -8.144 1.00 44.23 C ATOM 778 NH1 ARG A 51 4.518 -13.243 -8.566 1.00 30.13 N ATOM 779 NH2 ARG A 51 6.685 -12.688 -8.603 1.00 2.53 N ATOM 0 H ARG A 51 5.292 -9.790 -2.624 1.00 23.11 H new ATOM 0 HA ARG A 51 5.749 -7.562 -4.432 1.00 45.43 H new ATOM 0 HB2 ARG A 51 4.208 -8.495 -6.171 1.00 73.14 H new ATOM 0 HB3 ARG A 51 5.751 -9.321 -6.082 1.00 73.14 H new ATOM 0 HG2 ARG A 51 4.629 -11.093 -4.648 1.00 10.23 H new ATOM 0 HG3 ARG A 51 3.098 -10.302 -4.965 1.00 10.23 H new ATOM 0 HD2 ARG A 51 3.411 -12.162 -6.526 1.00 23.31 H new ATOM 0 HD3 ARG A 51 3.406 -10.645 -7.403 1.00 23.31 H new ATOM 0 HE ARG A 51 6.087 -11.026 -6.934 1.00 53.22 H new ATOM 0 HH11 ARG A 51 3.575 -13.104 -8.203 1.00 30.13 H new ATOM 0 HH12 ARG A 51 4.695 -13.968 -9.261 1.00 30.13 H new ATOM 0 HH21 ARG A 51 7.457 -12.111 -8.270 1.00 2.53 H new ATOM 0 HH22 ARG A 51 6.855 -13.415 -9.298 1.00 2.53 H new ATOM 793 N ILE A 52 3.466 -6.674 -3.854 1.00 25.03 N ATOM 794 CA ILE A 52 2.311 -6.029 -3.214 1.00 23.02 C ATOM 795 C ILE A 52 1.355 -5.402 -4.246 1.00 52.13 C ATOM 796 O ILE A 52 1.785 -4.932 -5.299 1.00 41.41 O ATOM 797 CB ILE A 52 2.785 -4.939 -2.211 1.00 23.13 C ATOM 798 CG1 ILE A 52 1.588 -4.296 -1.485 1.00 15.21 C ATOM 799 CG2 ILE A 52 3.622 -3.874 -2.926 1.00 32.30 C ATOM 800 CD1 ILE A 52 1.983 -3.277 -0.435 1.00 35.20 C ATOM 0 H ILE A 52 3.952 -6.085 -4.530 1.00 25.03 H new ATOM 0 HA ILE A 52 1.765 -6.806 -2.679 1.00 23.02 H new ATOM 0 HB ILE A 52 3.412 -5.421 -1.461 1.00 23.13 H new ATOM 0 HG12 ILE A 52 0.945 -3.814 -2.221 1.00 15.21 H new ATOM 0 HG13 ILE A 52 0.998 -5.081 -1.012 1.00 15.21 H new ATOM 0 HG21 ILE A 52 3.944 -3.121 -2.207 1.00 32.30 H new ATOM 0 HG22 ILE A 52 4.497 -4.342 -3.378 1.00 32.30 H new ATOM 0 HG23 ILE A 52 3.022 -3.401 -3.703 1.00 32.30 H new ATOM 0 HD11 ILE A 52 1.086 -2.869 0.032 1.00 35.20 H new ATOM 0 HD12 ILE A 52 2.601 -3.757 0.324 1.00 35.20 H new ATOM 0 HD13 ILE A 52 2.547 -2.471 -0.904 1.00 35.20 H new ATOM 812 N ARG A 53 0.058 -5.406 -3.939 1.00 21.01 N ATOM 813 CA ARG A 53 -0.959 -4.808 -4.819 1.00 11.12 C ATOM 814 C ARG A 53 -2.164 -4.294 -4.016 1.00 42.41 C ATOM 815 O ARG A 53 -2.302 -4.576 -2.824 1.00 51.52 O ATOM 816 CB ARG A 53 -1.463 -5.836 -5.841 1.00 11.13 C ATOM 817 CG ARG A 53 -2.208 -7.002 -5.202 1.00 23.14 C ATOM 818 CD ARG A 53 -3.045 -7.783 -6.206 1.00 43.33 C ATOM 819 NE ARG A 53 -3.736 -8.893 -5.561 1.00 1.33 N ATOM 820 CZ ARG A 53 -4.819 -9.461 -6.010 1.00 22.55 C ATOM 821 NH1 ARG A 53 -5.330 -9.118 -7.149 1.00 52.21 N ATOM 822 NH2 ARG A 53 -5.370 -10.400 -5.315 1.00 63.35 N ATOM 0 H ARG A 53 -0.319 -5.817 -3.085 1.00 21.01 H new ATOM 0 HA ARG A 53 -0.484 -3.972 -5.332 1.00 11.12 H new ATOM 0 HB2 ARG A 53 -2.122 -5.338 -6.553 1.00 11.13 H new ATOM 0 HB3 ARG A 53 -0.615 -6.221 -6.407 1.00 11.13 H new ATOM 0 HG2 ARG A 53 -1.489 -7.674 -4.733 1.00 23.14 H new ATOM 0 HG3 ARG A 53 -2.855 -6.625 -4.410 1.00 23.14 H new ATOM 0 HD2 ARG A 53 -3.773 -7.119 -6.672 1.00 43.33 H new ATOM 0 HD3 ARG A 53 -2.404 -8.162 -7.002 1.00 43.33 H new ATOM 0 HE ARG A 53 -3.341 -9.252 -4.692 1.00 1.33 H new ATOM 0 HH11 ARG A 53 -4.884 -8.392 -7.710 1.00 52.21 H new ATOM 0 HH12 ARG A 53 -6.179 -9.573 -7.485 1.00 52.21 H new ATOM 0 HH21 ARG A 53 -4.957 -10.687 -4.428 1.00 63.35 H new ATOM 0 HH22 ARG A 53 -6.218 -10.854 -5.653 1.00 63.35 H new ATOM 836 N ILE A 54 -3.039 -3.540 -4.682 1.00 11.50 N ATOM 837 CA ILE A 54 -4.307 -3.102 -4.085 1.00 3.15 C ATOM 838 C ILE A 54 -5.489 -3.897 -4.670 1.00 13.13 C ATOM 839 O ILE A 54 -5.768 -3.819 -5.866 1.00 71.13 O ATOM 840 CB ILE A 54 -4.545 -1.587 -4.314 1.00 2.04 C ATOM 841 CG1 ILE A 54 -3.385 -0.773 -3.717 1.00 62.53 C ATOM 842 CG2 ILE A 54 -5.882 -1.151 -3.708 1.00 52.21 C ATOM 843 CD1 ILE A 54 -3.570 0.728 -3.806 1.00 43.41 C ATOM 0 H ILE A 54 -2.895 -3.217 -5.639 1.00 11.50 H new ATOM 0 HA ILE A 54 -4.241 -3.288 -3.013 1.00 3.15 H new ATOM 0 HB ILE A 54 -4.585 -1.399 -5.387 1.00 2.04 H new ATOM 0 HG12 ILE A 54 -3.261 -1.051 -2.670 1.00 62.53 H new ATOM 0 HG13 ILE A 54 -2.463 -1.045 -4.230 1.00 62.53 H new ATOM 0 HG21 ILE A 54 -6.029 -0.085 -3.880 1.00 52.21 H new ATOM 0 HG22 ILE A 54 -6.693 -1.709 -4.176 1.00 52.21 H new ATOM 0 HG23 ILE A 54 -5.877 -1.348 -2.636 1.00 52.21 H new ATOM 0 HD11 ILE A 54 -2.709 1.228 -3.363 1.00 43.41 H new ATOM 0 HD12 ILE A 54 -3.662 1.022 -4.852 1.00 43.41 H new ATOM 0 HD13 ILE A 54 -4.473 1.016 -3.267 1.00 43.41 H new ATOM 855 N LYS A 55 -6.175 -4.667 -3.825 1.00 63.44 N ATOM 856 CA LYS A 55 -7.315 -5.483 -4.275 1.00 5.13 C ATOM 857 C LYS A 55 -8.583 -4.640 -4.447 1.00 53.12 C ATOM 858 O LYS A 55 -9.344 -4.816 -5.401 1.00 70.44 O ATOM 859 CB LYS A 55 -7.608 -6.611 -3.277 1.00 32.45 C ATOM 860 CG LYS A 55 -6.458 -7.584 -3.071 1.00 44.34 C ATOM 861 CD LYS A 55 -6.848 -8.751 -2.161 1.00 34.41 C ATOM 862 CE LYS A 55 -7.774 -9.760 -2.850 1.00 61.05 C ATOM 863 NZ LYS A 55 -9.148 -9.232 -3.075 1.00 12.02 N ATOM 0 H LYS A 55 -5.967 -4.746 -2.830 1.00 63.44 H new ATOM 0 HA LYS A 55 -7.036 -5.905 -5.240 1.00 5.13 H new ATOM 0 HB2 LYS A 55 -7.871 -6.169 -2.316 1.00 32.45 H new ATOM 0 HB3 LYS A 55 -8.480 -7.167 -3.621 1.00 32.45 H new ATOM 0 HG2 LYS A 55 -6.133 -7.971 -4.037 1.00 44.34 H new ATOM 0 HG3 LYS A 55 -5.609 -7.055 -2.638 1.00 44.34 H new ATOM 0 HD2 LYS A 55 -5.945 -9.263 -1.827 1.00 34.41 H new ATOM 0 HD3 LYS A 55 -7.341 -8.362 -1.270 1.00 34.41 H new ATOM 0 HE2 LYS A 55 -7.340 -10.047 -3.808 1.00 61.05 H new ATOM 0 HE3 LYS A 55 -7.833 -10.663 -2.243 1.00 61.05 H new ATOM 0 HZ1 LYS A 55 -9.839 -9.999 -2.949 1.00 12.02 H new ATOM 0 HZ2 LYS A 55 -9.344 -8.473 -2.392 1.00 12.02 H new ATOM 0 HZ3 LYS A 55 -9.221 -8.855 -4.042 1.00 12.02 H new ATOM 877 N GLU A 56 -8.797 -3.719 -3.519 1.00 3.31 N ATOM 878 CA GLU A 56 -10.027 -2.934 -3.477 1.00 62.50 C ATOM 879 C GLU A 56 -9.730 -1.463 -3.166 1.00 43.50 C ATOM 880 O GLU A 56 -8.829 -1.151 -2.389 1.00 4.44 O ATOM 881 CB GLU A 56 -10.977 -3.516 -2.418 1.00 72.13 C ATOM 882 CG GLU A 56 -12.329 -2.818 -2.337 1.00 64.42 C ATOM 883 CD GLU A 56 -13.100 -2.889 -3.645 1.00 52.24 C ATOM 884 OE1 GLU A 56 -13.735 -3.930 -3.909 1.00 22.15 O ATOM 885 OE2 GLU A 56 -13.054 -1.908 -4.421 1.00 40.54 O ATOM 0 H GLU A 56 -8.131 -3.494 -2.779 1.00 3.31 H new ATOM 0 HA GLU A 56 -10.502 -2.983 -4.457 1.00 62.50 H new ATOM 0 HB2 GLU A 56 -11.139 -4.572 -2.633 1.00 72.13 H new ATOM 0 HB3 GLU A 56 -10.493 -3.460 -1.443 1.00 72.13 H new ATOM 0 HG2 GLU A 56 -12.922 -3.273 -1.544 1.00 64.42 H new ATOM 0 HG3 GLU A 56 -12.179 -1.774 -2.063 1.00 64.42 H new ATOM 892 N ASP A 57 -10.494 -0.572 -3.778 1.00 23.41 N ATOM 893 CA ASP A 57 -10.311 0.868 -3.607 1.00 53.12 C ATOM 894 C ASP A 57 -11.576 1.625 -4.027 1.00 45.14 C ATOM 895 O ASP A 57 -12.088 1.455 -5.137 1.00 61.22 O ATOM 896 CB ASP A 57 -9.082 1.341 -4.402 1.00 75.51 C ATOM 897 CG ASP A 57 -9.152 2.804 -4.818 1.00 52.43 C ATOM 898 OD1 ASP A 57 -8.871 3.683 -3.975 1.00 72.31 O ATOM 899 OD2 ASP A 57 -9.492 3.077 -5.987 1.00 23.12 O ATOM 0 H ASP A 57 -11.258 -0.822 -4.406 1.00 23.41 H new ATOM 0 HA ASP A 57 -10.135 1.082 -2.553 1.00 53.12 H new ATOM 0 HB2 ASP A 57 -8.188 1.186 -3.799 1.00 75.51 H new ATOM 0 HB3 ASP A 57 -8.976 0.723 -5.294 1.00 75.51 H new ATOM 904 N ASN A 58 -12.074 2.455 -3.121 1.00 60.42 N ATOM 905 CA ASN A 58 -13.302 3.215 -3.343 1.00 42.31 C ATOM 906 C ASN A 58 -12.982 4.670 -3.734 1.00 53.11 C ATOM 907 O ASN A 58 -13.207 5.603 -2.960 1.00 61.53 O ATOM 908 CB ASN A 58 -14.158 3.151 -2.073 1.00 14.30 C ATOM 909 CG ASN A 58 -15.536 3.767 -2.229 1.00 22.14 C ATOM 910 OD1 ASN A 58 -16.484 3.102 -2.631 1.00 41.42 O ATOM 911 ND2 ASN A 58 -15.662 5.034 -1.900 1.00 61.25 N ATOM 0 H ASN A 58 -11.641 2.622 -2.213 1.00 60.42 H new ATOM 0 HA ASN A 58 -13.860 2.779 -4.171 1.00 42.31 H new ATOM 0 HB2 ASN A 58 -14.268 2.109 -1.773 1.00 14.30 H new ATOM 0 HB3 ASN A 58 -13.632 3.661 -1.266 1.00 14.30 H new ATOM 0 HD21 ASN A 58 -16.570 5.493 -1.976 1.00 61.25 H new ATOM 0 HD22 ASN A 58 -14.852 5.558 -1.569 1.00 61.25 H new ATOM 918 N SER A 59 -12.407 4.849 -4.923 1.00 21.21 N ATOM 919 CA SER A 59 -12.113 6.193 -5.452 1.00 30.03 C ATOM 920 C SER A 59 -12.639 6.350 -6.886 1.00 53.32 C ATOM 921 O SER A 59 -12.730 5.374 -7.631 1.00 73.32 O ATOM 922 CB SER A 59 -10.601 6.476 -5.443 1.00 4.20 C ATOM 923 OG SER A 59 -9.931 5.767 -6.476 1.00 44.34 O ATOM 0 H SER A 59 -12.134 4.086 -5.542 1.00 21.21 H new ATOM 0 HA SER A 59 -12.617 6.908 -4.802 1.00 30.03 H new ATOM 0 HB2 SER A 59 -10.430 7.546 -5.564 1.00 4.20 H new ATOM 0 HB3 SER A 59 -10.183 6.194 -4.477 1.00 4.20 H new ATOM 0 HG SER A 59 -9.821 4.830 -6.211 1.00 44.34 H new ATOM 929 N PRO A 60 -12.999 7.582 -7.294 1.00 23.22 N ATOM 930 CA PRO A 60 -13.466 7.862 -8.667 1.00 14.54 C ATOM 931 C PRO A 60 -12.382 7.603 -9.729 1.00 71.44 C ATOM 932 O PRO A 60 -12.676 7.283 -10.882 1.00 40.41 O ATOM 933 CB PRO A 60 -13.825 9.359 -8.627 1.00 11.42 C ATOM 934 CG PRO A 60 -13.978 9.687 -7.182 1.00 41.14 C ATOM 935 CD PRO A 60 -13.007 8.799 -6.460 1.00 22.43 C ATOM 0 HA PRO A 60 -14.296 7.214 -8.947 1.00 14.54 H new ATOM 0 HB2 PRO A 60 -13.043 9.964 -9.087 1.00 11.42 H new ATOM 0 HB3 PRO A 60 -14.746 9.558 -9.175 1.00 11.42 H new ATOM 0 HG2 PRO A 60 -13.762 10.739 -6.994 1.00 41.14 H new ATOM 0 HG3 PRO A 60 -14.999 9.507 -6.845 1.00 41.14 H new ATOM 0 HD2 PRO A 60 -12.017 9.251 -6.393 1.00 22.43 H new ATOM 0 HD3 PRO A 60 -13.331 8.589 -5.441 1.00 22.43 H new ATOM 943 N ASP A 61 -11.124 7.760 -9.325 1.00 31.43 N ATOM 944 CA ASP A 61 -9.980 7.585 -10.228 1.00 51.11 C ATOM 945 C ASP A 61 -9.603 6.100 -10.424 1.00 73.43 C ATOM 946 O ASP A 61 -9.200 5.700 -11.522 1.00 32.22 O ATOM 947 CB ASP A 61 -8.785 8.371 -9.683 1.00 25.23 C ATOM 948 CG ASP A 61 -9.102 9.845 -9.516 1.00 23.11 C ATOM 949 OD1 ASP A 61 -9.749 10.205 -8.511 1.00 20.21 O ATOM 950 OD2 ASP A 61 -8.720 10.650 -10.392 1.00 21.21 O ATOM 0 H ASP A 61 -10.866 8.010 -8.371 1.00 31.43 H new ATOM 0 HA ASP A 61 -10.265 7.967 -11.208 1.00 51.11 H new ATOM 0 HB2 ASP A 61 -8.485 7.954 -8.722 1.00 25.23 H new ATOM 0 HB3 ASP A 61 -7.937 8.257 -10.359 1.00 25.23 H new ATOM 955 N GLN A 62 -9.716 5.298 -9.357 1.00 4.52 N ATOM 956 CA GLN A 62 -9.403 3.855 -9.411 1.00 34.02 C ATOM 957 C GLN A 62 -7.918 3.589 -9.727 1.00 42.02 C ATOM 958 O GLN A 62 -7.549 2.491 -10.153 1.00 31.44 O ATOM 959 CB GLN A 62 -10.302 3.148 -10.446 1.00 23.21 C ATOM 960 CG GLN A 62 -11.780 3.129 -10.071 1.00 21.13 C ATOM 961 CD GLN A 62 -12.075 2.217 -8.890 1.00 62.53 C ATOM 962 OE1 GLN A 62 -12.384 1.040 -9.057 1.00 64.01 O ATOM 963 NE2 GLN A 62 -11.975 2.749 -7.692 1.00 33.03 N ATOM 0 H GLN A 62 -10.023 5.622 -8.440 1.00 4.52 H new ATOM 0 HA GLN A 62 -9.602 3.447 -8.420 1.00 34.02 H new ATOM 0 HB2 GLN A 62 -10.188 3.644 -11.410 1.00 23.21 H new ATOM 0 HB3 GLN A 62 -9.956 2.122 -10.572 1.00 23.21 H new ATOM 0 HG2 GLN A 62 -12.103 4.142 -9.832 1.00 21.13 H new ATOM 0 HG3 GLN A 62 -12.365 2.803 -10.931 1.00 21.13 H new ATOM 0 HE21 GLN A 62 -11.716 3.730 -7.590 1.00 33.03 H new ATOM 0 HE22 GLN A 62 -12.156 2.180 -6.865 1.00 33.03 H new ATOM 972 N VAL A 63 -7.067 4.588 -9.490 1.00 64.33 N ATOM 973 CA VAL A 63 -5.630 4.478 -9.786 1.00 24.53 C ATOM 974 C VAL A 63 -4.965 3.325 -9.009 1.00 15.14 C ATOM 975 O VAL A 63 -4.116 2.605 -9.547 1.00 31.23 O ATOM 976 CB VAL A 63 -4.889 5.801 -9.457 1.00 60.22 C ATOM 977 CG1 VAL A 63 -3.396 5.689 -9.759 1.00 33.44 C ATOM 978 CG2 VAL A 63 -5.504 6.973 -10.217 1.00 33.34 C ATOM 0 H VAL A 63 -7.344 5.486 -9.093 1.00 64.33 H new ATOM 0 HA VAL A 63 -5.551 4.269 -10.853 1.00 24.53 H new ATOM 0 HB VAL A 63 -5.003 5.987 -8.389 1.00 60.22 H new ATOM 0 HG11 VAL A 63 -2.904 6.632 -9.518 1.00 33.44 H new ATOM 0 HG12 VAL A 63 -2.962 4.890 -9.158 1.00 33.44 H new ATOM 0 HG13 VAL A 63 -3.254 5.466 -10.816 1.00 33.44 H new ATOM 0 HG21 VAL A 63 -4.967 7.889 -9.970 1.00 33.34 H new ATOM 0 HG22 VAL A 63 -5.433 6.789 -11.289 1.00 33.34 H new ATOM 0 HG23 VAL A 63 -6.552 7.079 -9.936 1.00 33.34 H new ATOM 988 N GLY A 64 -5.364 3.158 -7.747 1.00 33.03 N ATOM 989 CA GLY A 64 -4.764 2.144 -6.883 1.00 74.43 C ATOM 990 C GLY A 64 -4.766 0.743 -7.488 1.00 24.54 C ATOM 991 O GLY A 64 -3.713 0.118 -7.625 1.00 2.14 O ATOM 0 H GLY A 64 -6.098 3.710 -7.303 1.00 33.03 H new ATOM 0 HA2 GLY A 64 -3.737 2.432 -6.659 1.00 74.43 H new ATOM 0 HA3 GLY A 64 -5.303 2.122 -5.936 1.00 74.43 H new ATOM 995 N VAL A 65 -5.945 0.253 -7.860 1.00 54.41 N ATOM 996 CA VAL A 65 -6.080 -1.091 -8.438 1.00 44.35 C ATOM 997 C VAL A 65 -5.365 -1.200 -9.799 1.00 0.12 C ATOM 998 O VAL A 65 -4.742 -2.220 -10.104 1.00 61.20 O ATOM 999 CB VAL A 65 -7.573 -1.481 -8.603 1.00 32.33 C ATOM 1000 CG1 VAL A 65 -7.715 -2.888 -9.183 1.00 12.35 C ATOM 1001 CG2 VAL A 65 -8.309 -1.372 -7.267 1.00 22.43 C ATOM 0 H VAL A 65 -6.824 0.763 -7.774 1.00 54.41 H new ATOM 0 HA VAL A 65 -5.606 -1.783 -7.742 1.00 44.35 H new ATOM 0 HB VAL A 65 -8.027 -0.782 -9.305 1.00 32.33 H new ATOM 0 HG11 VAL A 65 -8.772 -3.134 -9.287 1.00 12.35 H new ATOM 0 HG12 VAL A 65 -7.235 -2.929 -10.161 1.00 12.35 H new ATOM 0 HG13 VAL A 65 -7.240 -3.607 -8.515 1.00 12.35 H new ATOM 0 HG21 VAL A 65 -9.354 -1.649 -7.404 1.00 22.43 H new ATOM 0 HG22 VAL A 65 -7.848 -2.042 -6.542 1.00 22.43 H new ATOM 0 HG23 VAL A 65 -8.251 -0.347 -6.902 1.00 22.43 H new ATOM 1011 N LYS A 66 -5.440 -0.135 -10.598 1.00 43.45 N ATOM 1012 CA LYS A 66 -4.801 -0.101 -11.924 1.00 1.30 C ATOM 1013 C LYS A 66 -3.275 -0.302 -11.841 1.00 11.15 C ATOM 1014 O LYS A 66 -2.650 -0.797 -12.786 1.00 12.23 O ATOM 1015 CB LYS A 66 -5.118 1.230 -12.624 1.00 23.04 C ATOM 1016 CG LYS A 66 -6.587 1.383 -13.011 1.00 35.04 C ATOM 1017 CD LYS A 66 -6.891 2.779 -13.553 1.00 15.11 C ATOM 1018 CE LYS A 66 -8.334 2.907 -14.033 1.00 61.44 C ATOM 1019 NZ LYS A 66 -8.580 2.113 -15.264 1.00 23.11 N ATOM 0 H LYS A 66 -5.938 0.721 -10.353 1.00 43.45 H new ATOM 0 HA LYS A 66 -5.208 -0.929 -12.504 1.00 1.30 H new ATOM 0 HB2 LYS A 66 -4.837 2.053 -11.966 1.00 23.04 H new ATOM 0 HB3 LYS A 66 -4.504 1.314 -13.521 1.00 23.04 H new ATOM 0 HG2 LYS A 66 -6.844 0.638 -13.764 1.00 35.04 H new ATOM 0 HG3 LYS A 66 -7.214 1.187 -12.141 1.00 35.04 H new ATOM 0 HD2 LYS A 66 -6.701 3.519 -12.775 1.00 15.11 H new ATOM 0 HD3 LYS A 66 -6.214 3.003 -14.377 1.00 15.11 H new ATOM 0 HE2 LYS A 66 -9.010 2.574 -13.245 1.00 61.44 H new ATOM 0 HE3 LYS A 66 -8.561 3.956 -14.226 1.00 61.44 H new ATOM 0 HZ1 LYS A 66 -9.527 2.331 -15.634 1.00 23.11 H new ATOM 0 HZ2 LYS A 66 -7.865 2.352 -15.980 1.00 23.11 H new ATOM 0 HZ3 LYS A 66 -8.521 1.099 -15.041 1.00 23.11 H new ATOM 1033 N MET A 67 -2.679 0.099 -10.719 1.00 44.22 N ATOM 1034 CA MET A 67 -1.234 -0.071 -10.499 1.00 24.41 C ATOM 1035 C MET A 67 -0.794 -1.546 -10.607 1.00 24.35 C ATOM 1036 O MET A 67 0.298 -1.842 -11.103 1.00 24.00 O ATOM 1037 CB MET A 67 -0.835 0.491 -9.129 1.00 3.42 C ATOM 1038 CG MET A 67 -0.891 2.013 -9.051 1.00 54.44 C ATOM 1039 SD MET A 67 0.318 2.798 -10.138 1.00 51.32 S ATOM 1040 CE MET A 67 0.078 4.526 -9.736 1.00 30.43 C ATOM 0 H MET A 67 -3.171 0.545 -9.944 1.00 44.22 H new ATOM 0 HA MET A 67 -0.724 0.483 -11.287 1.00 24.41 H new ATOM 0 HB2 MET A 67 -1.494 0.073 -8.368 1.00 3.42 H new ATOM 0 HB3 MET A 67 0.176 0.161 -8.891 1.00 3.42 H new ATOM 0 HG2 MET A 67 -1.892 2.352 -9.319 1.00 54.44 H new ATOM 0 HG3 MET A 67 -0.712 2.329 -8.023 1.00 54.44 H new ATOM 0 HE1 MET A 67 1.011 5.068 -9.888 1.00 30.43 H new ATOM 0 HE2 MET A 67 -0.694 4.946 -10.380 1.00 30.43 H new ATOM 0 HE3 MET A 67 -0.229 4.618 -8.694 1.00 30.43 H new ATOM 1050 N GLY A 68 -1.646 -2.459 -10.144 1.00 42.43 N ATOM 1051 CA GLY A 68 -1.334 -3.886 -10.201 1.00 24.42 C ATOM 1052 C GLY A 68 -0.267 -4.326 -9.196 1.00 11.03 C ATOM 1053 O GLY A 68 -0.153 -3.759 -8.108 1.00 41.25 O ATOM 0 H GLY A 68 -2.551 -2.239 -9.728 1.00 42.43 H new ATOM 0 HA2 GLY A 68 -2.246 -4.455 -10.021 1.00 24.42 H new ATOM 0 HA3 GLY A 68 -0.997 -4.135 -11.207 1.00 24.42 H new ATOM 1057 N TRP A 69 0.508 -5.351 -9.561 1.00 25.50 N ATOM 1058 CA TRP A 69 1.557 -5.894 -8.685 1.00 33.11 C ATOM 1059 C TRP A 69 2.857 -5.074 -8.767 1.00 14.10 C ATOM 1060 O TRP A 69 3.456 -4.942 -9.838 1.00 71.32 O ATOM 1061 CB TRP A 69 1.863 -7.354 -9.054 1.00 63.43 C ATOM 1062 CG TRP A 69 0.716 -8.300 -8.836 1.00 13.30 C ATOM 1063 CD1 TRP A 69 -0.251 -8.638 -9.737 1.00 5.34 C ATOM 1064 CD2 TRP A 69 0.425 -9.038 -7.643 1.00 5.23 C ATOM 1065 NE1 TRP A 69 -1.119 -9.543 -9.180 1.00 22.42 N ATOM 1066 CE2 TRP A 69 -0.725 -9.806 -7.896 1.00 4.14 C ATOM 1067 CE3 TRP A 69 1.030 -9.128 -6.386 1.00 20.35 C ATOM 1068 CZ2 TRP A 69 -1.285 -10.647 -6.938 1.00 60.04 C ATOM 1069 CZ3 TRP A 69 0.474 -9.963 -5.436 1.00 64.04 C ATOM 1070 CH2 TRP A 69 -0.672 -10.716 -5.718 1.00 52.13 C ATOM 0 H TRP A 69 0.430 -5.825 -10.461 1.00 25.50 H new ATOM 0 HA TRP A 69 1.178 -5.839 -7.665 1.00 33.11 H new ATOM 0 HB2 TRP A 69 2.160 -7.397 -10.102 1.00 63.43 H new ATOM 0 HB3 TRP A 69 2.716 -7.694 -8.467 1.00 63.43 H new ATOM 0 HD1 TRP A 69 -0.323 -8.250 -10.742 1.00 5.34 H new ATOM 0 HE1 TRP A 69 -1.927 -9.953 -9.647 1.00 22.42 H new ATOM 0 HE3 TRP A 69 1.917 -8.554 -6.161 1.00 20.35 H new ATOM 0 HZ2 TRP A 69 -2.172 -11.224 -7.151 1.00 60.04 H new ATOM 0 HZ3 TRP A 69 0.931 -10.036 -4.460 1.00 64.04 H new ATOM 0 HH2 TRP A 69 -1.080 -11.364 -4.957 1.00 52.13 H new ATOM 1081 N LYS A 70 3.291 -4.533 -7.633 1.00 54.51 N ATOM 1082 CA LYS A 70 4.565 -3.809 -7.539 1.00 32.24 C ATOM 1083 C LYS A 70 5.598 -4.616 -6.730 1.00 32.22 C ATOM 1084 O LYS A 70 5.228 -5.481 -5.928 1.00 14.23 O ATOM 1085 CB LYS A 70 4.338 -2.438 -6.890 1.00 3.21 C ATOM 1086 CG LYS A 70 3.367 -1.544 -7.654 1.00 31.31 C ATOM 1087 CD LYS A 70 3.854 -1.243 -9.071 1.00 41.32 C ATOM 1088 CE LYS A 70 2.924 -0.275 -9.791 1.00 61.13 C ATOM 1089 NZ LYS A 70 3.441 0.094 -11.136 1.00 12.25 N ATOM 0 H LYS A 70 2.776 -4.581 -6.754 1.00 54.51 H new ATOM 0 HA LYS A 70 4.958 -3.669 -8.546 1.00 32.24 H new ATOM 0 HB2 LYS A 70 3.961 -2.584 -5.878 1.00 3.21 H new ATOM 0 HB3 LYS A 70 5.296 -1.925 -6.803 1.00 3.21 H new ATOM 0 HG2 LYS A 70 2.391 -2.027 -7.702 1.00 31.31 H new ATOM 0 HG3 LYS A 70 3.233 -0.608 -7.111 1.00 31.31 H new ATOM 0 HD2 LYS A 70 4.858 -0.820 -9.029 1.00 41.32 H new ATOM 0 HD3 LYS A 70 3.923 -2.172 -9.638 1.00 41.32 H new ATOM 0 HE2 LYS A 70 1.937 -0.727 -9.893 1.00 61.13 H new ATOM 0 HE3 LYS A 70 2.801 0.626 -9.190 1.00 61.13 H new ATOM 0 HZ1 LYS A 70 2.780 0.754 -11.593 1.00 12.25 H new ATOM 0 HZ2 LYS A 70 4.371 0.549 -11.038 1.00 12.25 H new ATOM 0 HZ3 LYS A 70 3.534 -0.762 -11.719 1.00 12.25 H new ATOM 1103 N SER A 71 6.887 -4.330 -6.931 1.00 44.11 N ATOM 1104 CA SER A 71 7.961 -5.107 -6.276 1.00 52.15 C ATOM 1105 C SER A 71 9.324 -4.392 -6.312 1.00 1.23 C ATOM 1106 O SER A 71 10.155 -4.593 -5.427 1.00 42.51 O ATOM 1107 CB SER A 71 8.101 -6.492 -6.931 1.00 3.21 C ATOM 1108 OG SER A 71 8.458 -6.388 -8.306 1.00 61.35 O ATOM 0 H SER A 71 7.217 -3.576 -7.534 1.00 44.11 H new ATOM 0 HA SER A 71 7.668 -5.212 -5.231 1.00 52.15 H new ATOM 0 HB2 SER A 71 8.857 -7.071 -6.401 1.00 3.21 H new ATOM 0 HB3 SER A 71 7.161 -7.036 -6.839 1.00 3.21 H new ATOM 0 HG SER A 71 8.540 -7.285 -8.691 1.00 61.35 H new ATOM 1114 N LYS A 72 9.553 -3.566 -7.328 1.00 44.11 N ATOM 1115 CA LYS A 72 10.856 -2.915 -7.520 1.00 41.51 C ATOM 1116 C LYS A 72 11.011 -1.661 -6.643 1.00 34.53 C ATOM 1117 O LYS A 72 10.063 -0.892 -6.460 1.00 2.41 O ATOM 1118 CB LYS A 72 11.039 -2.531 -8.997 1.00 72.23 C ATOM 1119 CG LYS A 72 10.997 -3.714 -9.963 1.00 23.43 C ATOM 1120 CD LYS A 72 12.104 -4.731 -9.677 1.00 44.22 C ATOM 1121 CE LYS A 72 13.498 -4.114 -9.778 1.00 54.31 C ATOM 1122 NZ LYS A 72 13.775 -3.571 -11.134 1.00 65.24 N ATOM 0 H LYS A 72 8.857 -3.328 -8.034 1.00 44.11 H new ATOM 0 HA LYS A 72 11.623 -3.630 -7.221 1.00 41.51 H new ATOM 0 HB2 LYS A 72 10.260 -1.822 -9.275 1.00 72.23 H new ATOM 0 HB3 LYS A 72 11.993 -2.017 -9.111 1.00 72.23 H new ATOM 0 HG2 LYS A 72 10.027 -4.205 -9.891 1.00 23.43 H new ATOM 0 HG3 LYS A 72 11.095 -3.350 -10.986 1.00 23.43 H new ATOM 0 HD2 LYS A 72 11.964 -5.146 -8.679 1.00 44.22 H new ATOM 0 HD3 LYS A 72 12.024 -5.560 -10.381 1.00 44.22 H new ATOM 0 HE2 LYS A 72 13.594 -3.316 -9.042 1.00 54.31 H new ATOM 0 HE3 LYS A 72 14.246 -4.867 -9.530 1.00 54.31 H new ATOM 0 HZ1 LYS A 72 14.769 -3.271 -11.191 1.00 65.24 H new ATOM 0 HZ2 LYS A 72 13.594 -4.307 -11.846 1.00 65.24 H new ATOM 0 HZ3 LYS A 72 13.156 -2.755 -11.314 1.00 65.24 H new ATOM 1136 N ALA A 73 12.219 -1.456 -6.110 1.00 44.43 N ATOM 1137 CA ALA A 73 12.519 -0.250 -5.335 1.00 74.15 C ATOM 1138 C ALA A 73 12.418 1.003 -6.219 1.00 54.45 C ATOM 1139 O ALA A 73 13.362 1.370 -6.921 1.00 45.43 O ATOM 1140 CB ALA A 73 13.898 -0.356 -4.689 1.00 20.41 C ATOM 0 H ALA A 73 13.000 -2.105 -6.200 1.00 44.43 H new ATOM 0 HA ALA A 73 11.780 -0.159 -4.539 1.00 74.15 H new ATOM 0 HB1 ALA A 73 14.103 0.549 -4.118 1.00 20.41 H new ATOM 0 HB2 ALA A 73 13.923 -1.219 -4.023 1.00 20.41 H new ATOM 0 HB3 ALA A 73 14.655 -0.475 -5.464 1.00 20.41 H new ATOM 1146 N GLY A 74 11.253 1.634 -6.198 1.00 43.13 N ATOM 1147 CA GLY A 74 10.985 2.766 -7.070 1.00 13.32 C ATOM 1148 C GLY A 74 9.516 2.854 -7.461 1.00 42.13 C ATOM 1149 O GLY A 74 9.029 3.928 -7.825 1.00 23.02 O ATOM 0 H GLY A 74 10.478 1.380 -5.585 1.00 43.13 H new ATOM 0 HA2 GLY A 74 11.282 3.687 -6.569 1.00 13.32 H new ATOM 0 HA3 GLY A 74 11.595 2.682 -7.970 1.00 13.32 H new ATOM 1153 N ASP A 75 8.814 1.724 -7.386 1.00 32.55 N ATOM 1154 CA ASP A 75 7.380 1.683 -7.670 1.00 33.02 C ATOM 1155 C ASP A 75 6.591 2.549 -6.670 1.00 31.43 C ATOM 1156 O ASP A 75 6.687 2.361 -5.454 1.00 64.11 O ATOM 1157 CB ASP A 75 6.868 0.236 -7.619 1.00 22.14 C ATOM 1158 CG ASP A 75 7.515 -0.672 -8.657 1.00 53.13 C ATOM 1159 OD1 ASP A 75 7.956 -0.166 -9.711 1.00 22.40 O ATOM 1160 OD2 ASP A 75 7.566 -1.899 -8.427 1.00 10.14 O ATOM 0 H ASP A 75 9.216 0.822 -7.130 1.00 32.55 H new ATOM 0 HA ASP A 75 7.226 2.085 -8.671 1.00 33.02 H new ATOM 0 HB2 ASP A 75 7.052 -0.172 -6.625 1.00 22.14 H new ATOM 0 HB3 ASP A 75 5.788 0.235 -7.769 1.00 22.14 H new ATOM 1165 N THR A 76 5.815 3.499 -7.191 1.00 23.43 N ATOM 1166 CA THR A 76 5.018 4.401 -6.347 1.00 14.05 C ATOM 1167 C THR A 76 3.513 4.243 -6.598 1.00 2.21 C ATOM 1168 O THR A 76 3.072 4.041 -7.730 1.00 70.41 O ATOM 1169 CB THR A 76 5.412 5.886 -6.560 1.00 5.33 C ATOM 1170 OG1 THR A 76 5.321 6.238 -7.954 1.00 52.51 O ATOM 1171 CG2 THR A 76 6.827 6.155 -6.058 1.00 2.10 C ATOM 0 H THR A 76 5.719 3.667 -8.192 1.00 23.43 H new ATOM 0 HA THR A 76 5.236 4.118 -5.317 1.00 14.05 H new ATOM 0 HB THR A 76 4.715 6.499 -5.988 1.00 5.33 H new ATOM 0 HG1 THR A 76 5.571 7.178 -8.071 1.00 52.51 H new ATOM 0 HG21 THR A 76 7.077 7.203 -6.220 1.00 2.10 H new ATOM 0 HG22 THR A 76 6.885 5.928 -4.993 1.00 2.10 H new ATOM 0 HG23 THR A 76 7.532 5.526 -6.602 1.00 2.10 H new ATOM 1179 N ILE A 77 2.733 4.341 -5.521 1.00 23.35 N ATOM 1180 CA ILE A 77 1.271 4.214 -5.580 1.00 55.12 C ATOM 1181 C ILE A 77 0.606 5.506 -5.085 1.00 51.14 C ATOM 1182 O ILE A 77 0.768 5.889 -3.925 1.00 11.23 O ATOM 1183 CB ILE A 77 0.770 3.033 -4.703 1.00 63.11 C ATOM 1184 CG1 ILE A 77 1.561 1.744 -5.001 1.00 61.44 C ATOM 1185 CG2 ILE A 77 -0.729 2.808 -4.913 1.00 74.35 C ATOM 1186 CD1 ILE A 77 1.409 1.235 -6.419 1.00 35.04 C ATOM 0 H ILE A 77 3.094 4.511 -4.582 1.00 23.35 H new ATOM 0 HA ILE A 77 1.002 4.025 -6.619 1.00 55.12 H new ATOM 0 HB ILE A 77 0.938 3.294 -3.658 1.00 63.11 H new ATOM 0 HG12 ILE A 77 2.617 1.926 -4.804 1.00 61.44 H new ATOM 0 HG13 ILE A 77 1.237 0.965 -4.311 1.00 61.44 H new ATOM 0 HG21 ILE A 77 -1.063 1.977 -4.291 1.00 74.35 H new ATOM 0 HG22 ILE A 77 -1.275 3.710 -4.637 1.00 74.35 H new ATOM 0 HG23 ILE A 77 -0.919 2.576 -5.961 1.00 74.35 H new ATOM 0 HD11 ILE A 77 1.997 0.326 -6.544 1.00 35.04 H new ATOM 0 HD12 ILE A 77 0.359 1.018 -6.617 1.00 35.04 H new ATOM 0 HD13 ILE A 77 1.761 1.994 -7.118 1.00 35.04 H new ATOM 1198 N VAL A 78 -0.145 6.175 -5.959 1.00 43.53 N ATOM 1199 CA VAL A 78 -0.769 7.460 -5.614 1.00 54.15 C ATOM 1200 C VAL A 78 -2.295 7.335 -5.455 1.00 72.14 C ATOM 1201 O VAL A 78 -3.004 7.021 -6.411 1.00 41.04 O ATOM 1202 CB VAL A 78 -0.465 8.533 -6.693 1.00 34.13 C ATOM 1203 CG1 VAL A 78 -1.022 9.894 -6.282 1.00 33.53 C ATOM 1204 CG2 VAL A 78 1.037 8.618 -6.970 1.00 31.24 C ATOM 0 H VAL A 78 -0.338 5.854 -6.908 1.00 43.53 H new ATOM 0 HA VAL A 78 -0.341 7.765 -4.659 1.00 54.15 H new ATOM 0 HB VAL A 78 -0.961 8.232 -7.616 1.00 34.13 H new ATOM 0 HG11 VAL A 78 -0.796 10.628 -7.055 1.00 33.53 H new ATOM 0 HG12 VAL A 78 -2.102 9.822 -6.155 1.00 33.53 H new ATOM 0 HG13 VAL A 78 -0.566 10.205 -5.342 1.00 33.53 H new ATOM 0 HG21 VAL A 78 1.225 9.377 -7.730 1.00 31.24 H new ATOM 0 HG22 VAL A 78 1.562 8.885 -6.053 1.00 31.24 H new ATOM 0 HG23 VAL A 78 1.397 7.652 -7.325 1.00 31.24 H new ATOM 1214 N CYS A 79 -2.793 7.589 -4.241 1.00 21.13 N ATOM 1215 CA CYS A 79 -4.241 7.618 -3.975 1.00 65.24 C ATOM 1216 C CYS A 79 -4.669 8.978 -3.400 1.00 0.34 C ATOM 1217 O CYS A 79 -5.014 9.088 -2.218 1.00 11.33 O ATOM 1218 CB CYS A 79 -4.644 6.485 -3.019 1.00 42.44 C ATOM 1219 SG CYS A 79 -4.339 4.823 -3.667 1.00 10.13 S ATOM 0 H CYS A 79 -2.215 7.779 -3.422 1.00 21.13 H new ATOM 0 HA CYS A 79 -4.756 7.470 -4.924 1.00 65.24 H new ATOM 0 HB2 CYS A 79 -4.098 6.603 -2.083 1.00 42.44 H new ATOM 0 HB3 CYS A 79 -5.704 6.582 -2.785 1.00 42.44 H new ATOM 0 HG CYS A 79 -4.508 3.950 -2.719 1.00 10.13 H new ATOM 1225 N LEU A 80 -4.655 10.012 -4.245 1.00 0.32 N ATOM 1226 CA LEU A 80 -4.979 11.384 -3.815 1.00 35.21 C ATOM 1227 C LEU A 80 -6.364 11.491 -3.134 1.00 34.43 C ATOM 1228 O LEU A 80 -6.471 12.063 -2.050 1.00 22.14 O ATOM 1229 CB LEU A 80 -4.894 12.359 -5.003 1.00 30.44 C ATOM 1230 CG LEU A 80 -3.497 12.516 -5.628 1.00 44.21 C ATOM 1231 CD1 LEU A 80 -3.538 13.470 -6.821 1.00 24.33 C ATOM 1232 CD2 LEU A 80 -2.487 13.003 -4.584 1.00 63.05 C ATOM 0 H LEU A 80 -4.423 9.929 -5.235 1.00 0.32 H new ATOM 0 HA LEU A 80 -4.235 11.658 -3.067 1.00 35.21 H new ATOM 0 HB2 LEU A 80 -5.584 12.023 -5.777 1.00 30.44 H new ATOM 0 HB3 LEU A 80 -5.238 13.339 -4.672 1.00 30.44 H new ATOM 0 HG LEU A 80 -3.176 11.538 -5.985 1.00 44.21 H new ATOM 0 HD11 LEU A 80 -2.539 13.565 -7.246 1.00 24.33 H new ATOM 0 HD12 LEU A 80 -4.218 13.078 -7.577 1.00 24.33 H new ATOM 0 HD13 LEU A 80 -3.887 14.449 -6.492 1.00 24.33 H new ATOM 0 HD21 LEU A 80 -1.506 13.107 -5.048 1.00 63.05 H new ATOM 0 HD22 LEU A 80 -2.807 13.968 -4.191 1.00 63.05 H new ATOM 0 HD23 LEU A 80 -2.429 12.281 -3.770 1.00 63.05 H new ATOM 1244 N PRO A 81 -7.448 10.940 -3.738 1.00 72.00 N ATOM 1245 CA PRO A 81 -8.805 11.012 -3.147 1.00 52.14 C ATOM 1246 C PRO A 81 -8.891 10.434 -1.719 1.00 31.30 C ATOM 1247 O PRO A 81 -9.853 10.691 -0.995 1.00 1.32 O ATOM 1248 CB PRO A 81 -9.664 10.177 -4.111 1.00 12.45 C ATOM 1249 CG PRO A 81 -8.923 10.219 -5.404 1.00 11.11 C ATOM 1250 CD PRO A 81 -7.463 10.236 -5.039 1.00 50.43 C ATOM 0 HA PRO A 81 -9.128 12.047 -3.040 1.00 52.14 H new ATOM 0 HB2 PRO A 81 -9.781 9.154 -3.754 1.00 12.45 H new ATOM 0 HB3 PRO A 81 -10.665 10.595 -4.214 1.00 12.45 H new ATOM 0 HG2 PRO A 81 -9.162 9.352 -6.020 1.00 11.11 H new ATOM 0 HG3 PRO A 81 -9.192 11.104 -5.981 1.00 11.11 H new ATOM 0 HD2 PRO A 81 -7.057 9.228 -4.956 1.00 50.43 H new ATOM 0 HD3 PRO A 81 -6.867 10.759 -5.787 1.00 50.43 H new ATOM 1258 N HIS A 82 -7.896 9.640 -1.321 1.00 73.10 N ATOM 1259 CA HIS A 82 -7.882 9.026 0.016 1.00 3.32 C ATOM 1260 C HIS A 82 -6.721 9.551 0.878 1.00 13.54 C ATOM 1261 O HIS A 82 -6.567 9.142 2.030 1.00 65.41 O ATOM 1262 CB HIS A 82 -7.785 7.499 -0.110 1.00 61.42 C ATOM 1263 CG HIS A 82 -8.962 6.872 -0.796 1.00 33.23 C ATOM 1264 ND1 HIS A 82 -8.966 5.578 -1.260 1.00 73.15 N ATOM 1265 CD2 HIS A 82 -10.193 7.364 -1.075 1.00 11.01 C ATOM 1266 CE1 HIS A 82 -10.136 5.299 -1.793 1.00 30.43 C ATOM 1267 NE2 HIS A 82 -10.898 6.366 -1.692 1.00 41.51 N ATOM 0 H HIS A 82 -7.090 9.405 -1.900 1.00 73.10 H new ATOM 0 HA HIS A 82 -8.814 9.298 0.512 1.00 3.32 H new ATOM 0 HB2 HIS A 82 -6.879 7.246 -0.660 1.00 61.42 H new ATOM 0 HB3 HIS A 82 -7.684 7.067 0.886 1.00 61.42 H new ATOM 0 HD1 HIS A 82 -8.180 4.931 -1.200 1.00 73.15 H new ATOM 0 HD2 HIS A 82 -10.551 8.358 -0.852 1.00 11.01 H new ATOM 0 HE1 HIS A 82 -10.421 4.357 -2.237 1.00 30.43 H new ATOM 1276 N LYS A 83 -5.915 10.458 0.312 1.00 33.02 N ATOM 1277 CA LYS A 83 -4.728 11.007 0.994 1.00 2.51 C ATOM 1278 C LYS A 83 -3.712 9.907 1.357 1.00 2.33 C ATOM 1279 O LYS A 83 -2.953 10.039 2.321 1.00 43.54 O ATOM 1280 CB LYS A 83 -5.139 11.792 2.251 1.00 42.54 C ATOM 1281 CG LYS A 83 -6.015 13.008 1.960 1.00 25.44 C ATOM 1282 CD LYS A 83 -6.309 13.811 3.223 1.00 52.33 C ATOM 1283 CE LYS A 83 -7.147 15.047 2.919 1.00 43.32 C ATOM 1284 NZ LYS A 83 -6.482 15.935 1.928 1.00 0.51 N ATOM 0 H LYS A 83 -6.063 10.832 -0.625 1.00 33.02 H new ATOM 0 HA LYS A 83 -4.240 11.687 0.296 1.00 2.51 H new ATOM 0 HB2 LYS A 83 -5.674 11.124 2.926 1.00 42.54 H new ATOM 0 HB3 LYS A 83 -4.240 12.120 2.773 1.00 42.54 H new ATOM 0 HG2 LYS A 83 -5.518 13.647 1.230 1.00 25.44 H new ATOM 0 HG3 LYS A 83 -6.953 12.681 1.511 1.00 25.44 H new ATOM 0 HD2 LYS A 83 -6.835 13.182 3.941 1.00 52.33 H new ATOM 0 HD3 LYS A 83 -5.371 14.112 3.690 1.00 52.33 H new ATOM 0 HE2 LYS A 83 -8.121 14.741 2.537 1.00 43.32 H new ATOM 0 HE3 LYS A 83 -7.326 15.601 3.841 1.00 43.32 H new ATOM 0 HZ1 LYS A 83 -6.942 16.868 1.934 1.00 0.51 H new ATOM 0 HZ2 LYS A 83 -5.478 16.042 2.177 1.00 0.51 H new ATOM 0 HZ3 LYS A 83 -6.561 15.517 0.979 1.00 0.51 H new ATOM 1298 N VAL A 84 -3.685 8.837 0.559 1.00 75.22 N ATOM 1299 CA VAL A 84 -2.781 7.704 0.801 1.00 33.31 C ATOM 1300 C VAL A 84 -1.703 7.601 -0.295 1.00 0.25 C ATOM 1301 O VAL A 84 -1.997 7.724 -1.487 1.00 1.24 O ATOM 1302 CB VAL A 84 -3.562 6.363 0.875 1.00 1.15 C ATOM 1303 CG1 VAL A 84 -2.616 5.191 1.141 1.00 14.40 C ATOM 1304 CG2 VAL A 84 -4.660 6.428 1.939 1.00 5.20 C ATOM 0 H VAL A 84 -4.279 8.729 -0.263 1.00 75.22 H new ATOM 0 HA VAL A 84 -2.297 7.888 1.760 1.00 33.31 H new ATOM 0 HB VAL A 84 -4.037 6.199 -0.092 1.00 1.15 H new ATOM 0 HG11 VAL A 84 -3.189 4.265 1.188 1.00 14.40 H new ATOM 0 HG12 VAL A 84 -1.884 5.125 0.336 1.00 14.40 H new ATOM 0 HG13 VAL A 84 -2.100 5.347 2.089 1.00 14.40 H new ATOM 0 HG21 VAL A 84 -5.192 5.477 1.971 1.00 5.20 H new ATOM 0 HG22 VAL A 84 -4.212 6.626 2.913 1.00 5.20 H new ATOM 0 HG23 VAL A 84 -5.359 7.227 1.692 1.00 5.20 H new ATOM 1314 N PHE A 85 -0.459 7.369 0.120 1.00 64.22 N ATOM 1315 CA PHE A 85 0.664 7.216 -0.816 1.00 50.15 C ATOM 1316 C PHE A 85 1.612 6.093 -0.359 1.00 11.04 C ATOM 1317 O PHE A 85 2.102 6.103 0.770 1.00 52.35 O ATOM 1318 CB PHE A 85 1.434 8.543 -0.937 1.00 73.13 C ATOM 1319 CG PHE A 85 2.608 8.488 -1.887 1.00 62.50 C ATOM 1320 CD1 PHE A 85 2.415 8.608 -3.256 1.00 30.01 C ATOM 1321 CD2 PHE A 85 3.900 8.312 -1.410 1.00 14.33 C ATOM 1322 CE1 PHE A 85 3.486 8.556 -4.128 1.00 33.35 C ATOM 1323 CE2 PHE A 85 4.973 8.257 -2.280 1.00 72.45 C ATOM 1324 CZ PHE A 85 4.765 8.379 -3.639 1.00 14.24 C ATOM 0 H PHE A 85 -0.198 7.282 1.102 1.00 64.22 H new ATOM 0 HA PHE A 85 0.262 6.946 -1.792 1.00 50.15 H new ATOM 0 HB2 PHE A 85 0.747 9.321 -1.270 1.00 73.13 H new ATOM 0 HB3 PHE A 85 1.792 8.835 0.050 1.00 73.13 H new ATOM 0 HD1 PHE A 85 1.416 8.744 -3.644 1.00 30.01 H new ATOM 0 HD2 PHE A 85 4.069 8.217 -0.347 1.00 14.33 H new ATOM 0 HE1 PHE A 85 3.323 8.654 -5.191 1.00 33.35 H new ATOM 0 HE2 PHE A 85 5.973 8.119 -1.897 1.00 72.45 H new ATOM 0 HZ PHE A 85 5.602 8.336 -4.320 1.00 14.24 H new ATOM 1334 N VAL A 86 1.865 5.125 -1.239 1.00 61.53 N ATOM 1335 CA VAL A 86 2.746 3.990 -0.916 1.00 53.32 C ATOM 1336 C VAL A 86 3.906 3.879 -1.919 1.00 41.01 C ATOM 1337 O VAL A 86 3.688 3.715 -3.116 1.00 24.22 O ATOM 1338 CB VAL A 86 1.957 2.654 -0.911 1.00 33.42 C ATOM 1339 CG1 VAL A 86 2.861 1.485 -0.522 1.00 34.24 C ATOM 1340 CG2 VAL A 86 0.744 2.741 0.017 1.00 72.13 C ATOM 0 H VAL A 86 1.476 5.099 -2.181 1.00 61.53 H new ATOM 0 HA VAL A 86 3.150 4.176 0.079 1.00 53.32 H new ATOM 0 HB VAL A 86 1.595 2.474 -1.923 1.00 33.42 H new ATOM 0 HG11 VAL A 86 2.283 0.561 -0.526 1.00 34.24 H new ATOM 0 HG12 VAL A 86 3.680 1.404 -1.237 1.00 34.24 H new ATOM 0 HG13 VAL A 86 3.266 1.655 0.476 1.00 34.24 H new ATOM 0 HG21 VAL A 86 0.207 1.793 0.004 1.00 72.13 H new ATOM 0 HG22 VAL A 86 1.077 2.955 1.032 1.00 72.13 H new ATOM 0 HG23 VAL A 86 0.082 3.538 -0.323 1.00 72.13 H new ATOM 1350 N GLU A 87 5.141 3.966 -1.427 1.00 71.42 N ATOM 1351 CA GLU A 87 6.329 3.855 -2.290 1.00 71.12 C ATOM 1352 C GLU A 87 7.248 2.712 -1.833 1.00 32.15 C ATOM 1353 O GLU A 87 7.383 2.447 -0.638 1.00 74.03 O ATOM 1354 CB GLU A 87 7.120 5.174 -2.298 1.00 52.01 C ATOM 1355 CG GLU A 87 7.648 5.583 -0.927 1.00 13.12 C ATOM 1356 CD GLU A 87 8.739 6.646 -0.989 1.00 64.24 C ATOM 1357 OE1 GLU A 87 9.560 6.607 -1.933 1.00 63.31 O ATOM 1358 OE2 GLU A 87 8.814 7.484 -0.067 1.00 34.04 O ATOM 0 H GLU A 87 5.351 4.112 -0.440 1.00 71.42 H new ATOM 0 HA GLU A 87 5.978 3.638 -3.299 1.00 71.12 H new ATOM 0 HB2 GLU A 87 7.959 5.079 -2.987 1.00 52.01 H new ATOM 0 HB3 GLU A 87 6.480 5.968 -2.682 1.00 52.01 H new ATOM 0 HG2 GLU A 87 6.820 5.957 -0.324 1.00 13.12 H new ATOM 0 HG3 GLU A 87 8.039 4.701 -0.419 1.00 13.12 H new ATOM 1365 N ILE A 88 7.876 2.033 -2.789 1.00 11.45 N ATOM 1366 CA ILE A 88 8.816 0.950 -2.477 1.00 23.31 C ATOM 1367 C ILE A 88 10.275 1.441 -2.512 1.00 10.30 C ATOM 1368 O ILE A 88 10.673 2.189 -3.408 1.00 51.33 O ATOM 1369 CB ILE A 88 8.641 -0.237 -3.459 1.00 34.32 C ATOM 1370 CG1 ILE A 88 7.180 -0.721 -3.444 1.00 13.55 C ATOM 1371 CG2 ILE A 88 9.592 -1.381 -3.102 1.00 52.13 C ATOM 1372 CD1 ILE A 88 6.893 -1.845 -4.416 1.00 62.03 C ATOM 0 H ILE A 88 7.754 2.210 -3.786 1.00 11.45 H new ATOM 0 HA ILE A 88 8.590 0.611 -1.466 1.00 23.31 H new ATOM 0 HB ILE A 88 8.887 0.103 -4.465 1.00 34.32 H new ATOM 0 HG12 ILE A 88 6.928 -1.053 -2.437 1.00 13.55 H new ATOM 0 HG13 ILE A 88 6.527 0.121 -3.675 1.00 13.55 H new ATOM 0 HG21 ILE A 88 9.452 -2.203 -3.804 1.00 52.13 H new ATOM 0 HG22 ILE A 88 10.622 -1.028 -3.157 1.00 52.13 H new ATOM 0 HG23 ILE A 88 9.381 -1.728 -2.090 1.00 52.13 H new ATOM 0 HD11 ILE A 88 5.843 -2.129 -4.344 1.00 62.03 H new ATOM 0 HD12 ILE A 88 7.111 -1.513 -5.431 1.00 62.03 H new ATOM 0 HD13 ILE A 88 7.518 -2.704 -4.174 1.00 62.03 H new ATOM 1384 N LYS A 89 11.063 1.024 -1.522 1.00 44.12 N ATOM 1385 CA LYS A 89 12.477 1.416 -1.424 1.00 21.42 C ATOM 1386 C LYS A 89 13.310 0.322 -0.742 1.00 34.32 C ATOM 1387 O LYS A 89 12.804 -0.419 0.095 1.00 4.32 O ATOM 1388 CB LYS A 89 12.605 2.731 -0.643 1.00 71.43 C ATOM 1389 CG LYS A 89 12.073 2.652 0.789 1.00 1.34 C ATOM 1390 CD LYS A 89 11.988 4.025 1.448 1.00 3.44 C ATOM 1391 CE LYS A 89 11.075 4.965 0.667 1.00 22.54 C ATOM 1392 NZ LYS A 89 10.890 6.278 1.348 1.00 63.41 N ATOM 0 H LYS A 89 10.748 0.411 -0.770 1.00 44.12 H new ATOM 0 HA LYS A 89 12.860 1.556 -2.435 1.00 21.42 H new ATOM 0 HB2 LYS A 89 13.654 3.026 -0.615 1.00 71.43 H new ATOM 0 HB3 LYS A 89 12.068 3.514 -1.178 1.00 71.43 H new ATOM 0 HG2 LYS A 89 11.085 2.192 0.783 1.00 1.34 H new ATOM 0 HG3 LYS A 89 12.722 2.006 1.381 1.00 1.34 H new ATOM 0 HD2 LYS A 89 11.616 3.918 2.467 1.00 3.44 H new ATOM 0 HD3 LYS A 89 12.986 4.459 1.517 1.00 3.44 H new ATOM 0 HE2 LYS A 89 11.493 5.130 -0.326 1.00 22.54 H new ATOM 0 HE3 LYS A 89 10.103 4.491 0.529 1.00 22.54 H new ATOM 0 HZ1 LYS A 89 10.005 6.716 1.022 1.00 63.41 H new ATOM 0 HZ2 LYS A 89 10.846 6.132 2.377 1.00 63.41 H new ATOM 0 HZ3 LYS A 89 11.690 6.903 1.121 1.00 63.41 H new ATOM 1406 N SER A 90 14.587 0.226 -1.095 1.00 75.00 N ATOM 1407 CA SER A 90 15.468 -0.810 -0.530 1.00 50.32 C ATOM 1408 C SER A 90 15.953 -0.456 0.883 1.00 23.35 C ATOM 1409 O SER A 90 16.086 0.719 1.235 1.00 4.40 O ATOM 1410 CB SER A 90 16.682 -1.054 -1.431 1.00 32.43 C ATOM 1411 OG SER A 90 17.538 -2.036 -0.866 1.00 44.23 O ATOM 0 H SER A 90 15.041 0.846 -1.766 1.00 75.00 H new ATOM 0 HA SER A 90 14.869 -1.719 -0.469 1.00 50.32 H new ATOM 0 HB2 SER A 90 16.350 -1.378 -2.417 1.00 32.43 H new ATOM 0 HB3 SER A 90 17.231 -0.123 -1.570 1.00 32.43 H new ATOM 0 HG SER A 90 17.000 -2.777 -0.516 1.00 44.23 H new ATOM 1417 N THR A 91 16.212 -1.483 1.691 1.00 61.44 N ATOM 1418 CA THR A 91 16.784 -1.298 3.037 1.00 42.32 C ATOM 1419 C THR A 91 18.233 -0.801 2.963 1.00 35.41 C ATOM 1420 O THR A 91 18.767 -0.243 3.925 1.00 72.51 O ATOM 1421 CB THR A 91 16.784 -2.622 3.837 1.00 62.33 C ATOM 1422 OG1 THR A 91 17.617 -3.587 3.173 1.00 42.53 O ATOM 1423 CG2 THR A 91 15.372 -3.177 3.985 1.00 64.12 C ATOM 0 H THR A 91 16.037 -2.457 1.442 1.00 61.44 H new ATOM 0 HA THR A 91 16.158 -0.559 3.537 1.00 42.32 H new ATOM 0 HB THR A 91 17.176 -2.419 4.834 1.00 62.33 H new ATOM 0 HG1 THR A 91 17.783 -4.344 3.773 1.00 42.53 H new ATOM 0 HG21 THR A 91 15.404 -4.108 4.552 1.00 64.12 H new ATOM 0 HG22 THR A 91 14.750 -2.453 4.511 1.00 64.12 H new ATOM 0 HG23 THR A 91 14.951 -3.368 2.998 1.00 64.12 H new ATOM 1431 N GLN A 92 18.858 -1.014 1.809 1.00 4.05 N ATOM 1432 CA GLN A 92 20.274 -0.690 1.594 1.00 32.03 C ATOM 1433 C GLN A 92 20.453 0.283 0.413 1.00 51.04 C ATOM 1434 O GLN A 92 19.484 0.881 -0.062 1.00 44.12 O ATOM 1435 CB GLN A 92 21.049 -2.000 1.369 1.00 25.14 C ATOM 1436 CG GLN A 92 20.404 -2.915 0.330 1.00 53.32 C ATOM 1437 CD GLN A 92 20.916 -4.343 0.401 1.00 45.13 C ATOM 1438 OE1 GLN A 92 21.881 -4.707 -0.258 1.00 1.40 O ATOM 1439 NE2 GLN A 92 20.274 -5.164 1.213 1.00 22.32 N ATOM 0 H GLN A 92 18.400 -1.417 0.991 1.00 4.05 H new ATOM 0 HA GLN A 92 20.670 -0.184 2.475 1.00 32.03 H new ATOM 0 HB2 GLN A 92 22.065 -1.763 1.053 1.00 25.14 H new ATOM 0 HB3 GLN A 92 21.126 -2.535 2.316 1.00 25.14 H new ATOM 0 HG2 GLN A 92 19.323 -2.914 0.473 1.00 53.32 H new ATOM 0 HG3 GLN A 92 20.594 -2.515 -0.666 1.00 53.32 H new ATOM 0 HE21 GLN A 92 19.473 -4.829 1.748 1.00 22.32 H new ATOM 0 HE22 GLN A 92 20.579 -6.133 1.305 1.00 22.32 H new