USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc=0.000706 USER MOD Set 2.2: A 51 THR OG1 : rot -57:sc= 0.00137 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.264 K(o=0.26,f=-5.3!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 12 MET CE :methyl -162:sc= -0.0591 (180deg=-0.433) USER MOD Single : A 13 GLN : amide:sc= -0.0181 K(o=-0.018,f=-1.1) USER MOD Single : A 17 MET CE :methyl 168:sc= -0.0138 (180deg=-0.152) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.0214 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0536 K(o=-0.054,f=-2.5!) USER MOD Single : A 58 SER OG : rot 139:sc= 1.25 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.275 -5.906 -14.985 1.00 0.00 N ATOM 14 CA LEU A 7 -4.789 -5.541 -13.649 1.00 0.00 C ATOM 15 C LEU A 7 -3.461 -4.773 -13.713 1.00 0.00 C ATOM 16 O LEU A 7 -2.540 -5.156 -14.445 1.00 0.00 O ATOM 17 CB LEU A 7 -4.693 -6.810 -12.776 1.00 0.00 C ATOM 18 CG LEU A 7 -5.926 -7.043 -11.878 1.00 0.00 C ATOM 19 CD1 LEU A 7 -7.270 -7.000 -12.622 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.797 -8.390 -11.158 1.00 0.00 C ATOM 0 HA LEU A 7 -5.502 -4.858 -13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.558 -7.676 -13.424 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.805 -6.741 -12.147 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.936 -6.213 -11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.082 -7.173 -11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.397 -6.023 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.286 -7.773 -13.390 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.670 -8.549 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.731 -9.191 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.898 -8.389 -10.542 1.00 0.00 H new ATOM 31 N LYS A 8 -3.366 -3.692 -12.934 1.00 0.00 N ATOM 32 CA LYS A 8 -2.166 -2.857 -12.792 1.00 0.00 C ATOM 33 C LYS A 8 -1.417 -3.180 -11.495 1.00 0.00 C ATOM 34 O LYS A 8 -2.043 -3.372 -10.451 1.00 0.00 O ATOM 35 CB LYS A 8 -2.546 -1.362 -12.802 1.00 0.00 C ATOM 36 CG LYS A 8 -2.704 -0.824 -14.231 1.00 0.00 C ATOM 37 CD LYS A 8 -3.092 0.662 -14.310 1.00 0.00 C ATOM 38 CE LYS A 8 -2.141 1.584 -13.533 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.448 3.018 -13.747 1.00 0.00 N ATOM 0 H LYS A 8 -4.146 -3.362 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.513 -3.073 -13.637 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.478 -1.220 -12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.780 -0.789 -12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.767 -0.971 -14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.463 -1.413 -14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.110 0.970 -15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.103 0.787 -13.923 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.206 1.356 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.114 1.385 -13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.780 3.601 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.361 3.245 -14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.419 3.216 -13.430 1.00 0.00 H new ATOM 49 N THR A 9 -0.082 -3.159 -11.559 1.00 0.00 N ATOM 50 CA THR A 9 0.817 -3.189 -10.399 1.00 0.00 C ATOM 51 C THR A 9 1.295 -1.764 -10.120 1.00 0.00 C ATOM 52 O THR A 9 1.368 -0.943 -11.033 1.00 0.00 O ATOM 53 CB THR A 9 1.973 -4.166 -10.653 1.00 0.00 C ATOM 54 OG1 THR A 9 1.434 -5.469 -10.708 1.00 0.00 O ATOM 55 CG2 THR A 9 3.011 -4.185 -9.530 1.00 0.00 C ATOM 0 H THR A 9 0.419 -3.119 -12.447 1.00 0.00 H new ATOM 0 HA THR A 9 0.297 -3.551 -9.512 1.00 0.00 H new ATOM 0 HB THR A 9 2.461 -3.846 -11.574 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.154 -6.114 -10.871 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.799 -4.897 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.443 -3.191 -9.417 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.532 -4.481 -8.597 1.00 0.00 H new ATOM 63 N GLN A 10 1.627 -1.455 -8.869 1.00 0.00 N ATOM 64 CA GLN A 10 2.308 -0.223 -8.493 1.00 0.00 C ATOM 65 C GLN A 10 3.197 -0.495 -7.278 1.00 0.00 C ATOM 66 O GLN A 10 2.918 -1.397 -6.480 1.00 0.00 O ATOM 67 CB GLN A 10 1.280 0.902 -8.234 1.00 0.00 C ATOM 68 CG GLN A 10 1.875 2.296 -7.937 1.00 0.00 C ATOM 69 CD GLN A 10 2.737 2.847 -9.077 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.786 2.307 -9.414 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.332 3.926 -9.708 1.00 0.00 N ATOM 0 H GLN A 10 1.426 -2.065 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 10 2.946 0.119 -9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.630 0.983 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.652 0.609 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.062 2.994 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.478 2.240 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.461 4.381 -9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.889 4.309 -10.472 1.00 0.00 H new ATOM 78 N GLN A 11 4.259 0.301 -7.153 1.00 0.00 N ATOM 79 CA GLN A 11 5.228 0.268 -6.066 1.00 0.00 C ATOM 80 C GLN A 11 5.334 1.675 -5.456 1.00 0.00 C ATOM 81 O GLN A 11 5.435 2.658 -6.193 1.00 0.00 O ATOM 82 CB GLN A 11 6.580 -0.178 -6.653 1.00 0.00 C ATOM 83 CG GLN A 11 7.576 -0.598 -5.565 1.00 0.00 C ATOM 84 CD GLN A 11 8.970 -0.929 -6.092 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.371 -0.548 -7.191 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.750 -1.675 -5.345 1.00 0.00 N ATOM 0 H GLN A 11 4.474 1.021 -7.843 1.00 0.00 H new ATOM 0 HA GLN A 11 4.926 -0.427 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.420 -1.011 -7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.006 0.637 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.657 0.205 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.181 -1.469 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.427 -1.996 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.679 -1.934 -5.677 1.00 0.00 H new ATOM 93 N MET A 12 5.347 1.779 -4.122 1.00 0.00 N ATOM 94 CA MET A 12 5.463 3.055 -3.406 1.00 0.00 C ATOM 95 C MET A 12 6.461 2.960 -2.254 1.00 0.00 C ATOM 96 O MET A 12 6.626 1.908 -1.629 1.00 0.00 O ATOM 97 CB MET A 12 4.096 3.588 -2.930 1.00 0.00 C ATOM 98 CG MET A 12 3.289 2.652 -2.019 1.00 0.00 C ATOM 99 SD MET A 12 2.383 1.318 -2.857 1.00 0.00 S ATOM 100 CE MET A 12 1.162 2.286 -3.783 1.00 0.00 C ATOM 0 H MET A 12 5.277 0.971 -3.503 1.00 0.00 H new ATOM 0 HA MET A 12 5.850 3.782 -4.120 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.259 4.527 -2.400 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.492 3.818 -3.808 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.970 2.204 -1.296 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.575 3.252 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.341 1.638 -4.090 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.776 3.085 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.634 2.718 -4.666 1.00 0.00 H new ATOM 108 N GLN A 13 7.128 4.081 -1.989 1.00 0.00 N ATOM 109 CA GLN A 13 8.136 4.216 -0.944 1.00 0.00 C ATOM 110 C GLN A 13 7.470 4.924 0.242 1.00 0.00 C ATOM 111 O GLN A 13 6.921 6.016 0.080 1.00 0.00 O ATOM 112 CB GLN A 13 9.346 5.002 -1.483 1.00 0.00 C ATOM 113 CG GLN A 13 9.946 4.458 -2.798 1.00 0.00 C ATOM 114 CD GLN A 13 10.536 3.049 -2.706 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.689 2.470 -1.641 1.00 0.00 O ATOM 116 NE2 GLN A 13 10.911 2.448 -3.814 1.00 0.00 N ATOM 0 H GLN A 13 6.977 4.944 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 13 8.511 3.245 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.046 6.038 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.125 5.007 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.169 4.461 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.726 5.141 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.792 2.915 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.321 1.515 -3.774 1.00 0.00 H new ATOM 123 N VAL A 14 7.461 4.293 1.415 1.00 0.00 N ATOM 124 CA VAL A 14 6.483 4.547 2.485 1.00 0.00 C ATOM 125 C VAL A 14 7.202 4.768 3.817 1.00 0.00 C ATOM 126 O VAL A 14 8.063 3.981 4.215 1.00 0.00 O ATOM 127 CB VAL A 14 5.440 3.398 2.534 1.00 0.00 C ATOM 128 CG1 VAL A 14 4.691 3.270 3.873 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.404 3.592 1.415 1.00 0.00 C ATOM 0 H VAL A 14 8.144 3.576 1.658 1.00 0.00 H new ATOM 0 HA VAL A 14 5.931 5.463 2.276 1.00 0.00 H new ATOM 0 HB VAL A 14 6.013 2.480 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.984 2.443 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.406 3.082 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.152 4.195 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.673 2.784 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.896 4.547 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.907 3.583 0.448 1.00 0.00 H new ATOM 139 N GLY A 15 6.851 5.866 4.493 1.00 0.00 N ATOM 140 CA GLY A 15 7.578 6.419 5.635 1.00 0.00 C ATOM 141 C GLY A 15 7.068 5.906 6.976 1.00 0.00 C ATOM 142 O GLY A 15 5.898 6.088 7.319 1.00 0.00 O ATOM 0 H GLY A 15 6.024 6.412 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.636 6.174 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.500 7.506 5.616 1.00 0.00 H new ATOM 146 N GLY A 16 7.976 5.324 7.762 1.00 0.00 N ATOM 147 CA GLY A 16 7.779 4.904 9.157 1.00 0.00 C ATOM 148 C GLY A 16 7.288 3.467 9.349 1.00 0.00 C ATOM 149 O GLY A 16 7.255 3.006 10.486 1.00 0.00 O ATOM 0 H GLY A 16 8.918 5.121 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.722 5.022 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.063 5.580 9.624 1.00 0.00 H new ATOM 153 N MET A 17 6.892 2.767 8.280 1.00 0.00 N ATOM 154 CA MET A 17 6.166 1.485 8.349 1.00 0.00 C ATOM 155 C MET A 17 7.074 0.237 8.420 1.00 0.00 C ATOM 156 O MET A 17 6.572 -0.886 8.421 1.00 0.00 O ATOM 157 CB MET A 17 5.183 1.424 7.166 1.00 0.00 C ATOM 158 CG MET A 17 3.998 0.486 7.429 1.00 0.00 C ATOM 159 SD MET A 17 2.756 0.463 6.117 1.00 0.00 S ATOM 160 CE MET A 17 3.674 -0.400 4.821 1.00 0.00 C ATOM 0 H MET A 17 7.068 3.077 7.324 1.00 0.00 H new ATOM 0 HA MET A 17 5.624 1.458 9.294 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.809 2.426 6.958 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.714 1.091 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.377 -0.526 7.571 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.517 0.781 8.362 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.991 -0.687 4.021 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.445 0.259 4.421 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.140 -1.293 5.238 1.00 0.00 H new ATOM 219 N CYS A 22 4.111 -3.311 12.111 1.00 0.00 N ATOM 220 CA CYS A 22 3.719 -2.046 11.488 1.00 0.00 C ATOM 221 C CYS A 22 3.233 -2.242 10.052 1.00 0.00 C ATOM 222 O CYS A 22 2.143 -1.784 9.707 1.00 0.00 O ATOM 223 CB CYS A 22 4.917 -1.084 11.564 1.00 0.00 C ATOM 224 SG CYS A 22 5.375 -0.819 13.303 1.00 0.00 S ATOM 0 HA CYS A 22 2.873 -1.620 12.027 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.763 -1.496 11.013 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.663 -0.133 11.095 1.00 0.00 H new ATOM 0 HG CYS A 22 6.389 -0.008 13.366 1.00 0.00 H new ATOM 229 N ALA A 23 3.971 -3.025 9.260 1.00 0.00 N ATOM 230 CA ALA A 23 3.503 -3.567 7.988 1.00 0.00 C ATOM 231 C ALA A 23 2.116 -4.214 8.113 1.00 0.00 C ATOM 232 O ALA A 23 1.286 -4.047 7.228 1.00 0.00 O ATOM 233 CB ALA A 23 4.544 -4.591 7.522 1.00 0.00 C ATOM 0 H ALA A 23 4.925 -3.303 9.491 1.00 0.00 H new ATOM 0 HA ALA A 23 3.395 -2.762 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.231 -5.021 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.508 -4.099 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.634 -5.382 8.266 1.00 0.00 H new ATOM 239 N SER A 24 1.821 -4.890 9.227 1.00 0.00 N ATOM 240 CA SER A 24 0.563 -5.637 9.404 1.00 0.00 C ATOM 241 C SER A 24 -0.670 -4.727 9.513 1.00 0.00 C ATOM 242 O SER A 24 -1.769 -5.108 9.109 1.00 0.00 O ATOM 243 CB SER A 24 0.644 -6.527 10.648 1.00 0.00 C ATOM 244 OG SER A 24 1.549 -7.596 10.436 1.00 0.00 O ATOM 0 H SER A 24 2.444 -4.938 10.033 1.00 0.00 H new ATOM 0 HA SER A 24 0.441 -6.246 8.508 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.965 -5.935 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.344 -6.921 10.885 1.00 0.00 H new ATOM 0 HG SER A 24 1.590 -8.154 11.241 1.00 0.00 H new ATOM 249 N SER A 25 -0.494 -3.498 9.996 1.00 0.00 N ATOM 250 CA SER A 25 -1.567 -2.510 10.156 1.00 0.00 C ATOM 251 C SER A 25 -2.114 -2.045 8.802 1.00 0.00 C ATOM 252 O SER A 25 -3.302 -1.737 8.665 1.00 0.00 O ATOM 253 CB SER A 25 -1.068 -1.302 10.967 1.00 0.00 C ATOM 254 OG SER A 25 -0.338 -1.711 12.110 1.00 0.00 O ATOM 0 H SER A 25 0.418 -3.151 10.294 1.00 0.00 H new ATOM 0 HA SER A 25 -2.380 -2.993 10.697 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.438 -0.674 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.918 -0.693 11.275 1.00 0.00 H new ATOM 0 HG SER A 25 -0.033 -0.921 12.603 1.00 0.00 H new ATOM 259 N ILE A 26 -1.267 -2.087 7.771 1.00 0.00 N ATOM 260 CA ILE A 26 -1.668 -1.982 6.367 1.00 0.00 C ATOM 261 C ILE A 26 -2.028 -3.369 5.817 1.00 0.00 C ATOM 262 O ILE A 26 -3.138 -3.551 5.329 1.00 0.00 O ATOM 263 CB ILE A 26 -0.554 -1.247 5.577 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.709 0.293 5.641 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.516 -1.636 4.090 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.720 0.908 7.045 1.00 0.00 C ATOM 0 H ILE A 26 -0.260 -2.198 7.892 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.572 -1.383 6.258 1.00 0.00 H new ATOM 0 HB ILE A 26 0.371 -1.558 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.105 0.744 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.637 0.566 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.284 -1.089 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.335 -2.707 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.470 -1.388 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.833 1.989 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.552 0.496 7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.217 0.677 7.551 1.00 0.00 H new ATOM 277 N GLU A 27 -1.120 -4.343 5.903 1.00 0.00 N ATOM 278 CA GLU A 27 -1.136 -5.542 5.055 1.00 0.00 C ATOM 279 C GLU A 27 -2.305 -6.476 5.390 1.00 0.00 C ATOM 280 O GLU A 27 -2.962 -6.976 4.473 1.00 0.00 O ATOM 281 CB GLU A 27 0.218 -6.283 5.130 1.00 0.00 C ATOM 282 CG GLU A 27 0.419 -7.260 3.958 1.00 0.00 C ATOM 283 CD GLU A 27 1.700 -8.085 4.107 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.700 -9.054 4.904 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.716 -7.801 3.419 1.00 0.00 O ATOM 0 H GLU A 27 -0.346 -4.324 6.567 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.288 -5.211 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.028 -5.554 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.277 -6.831 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.438 -7.931 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.455 -6.701 3.023 1.00 0.00 H new ATOM 290 N ARG A 28 -2.625 -6.658 6.682 1.00 0.00 N ATOM 291 CA ARG A 28 -3.709 -7.565 7.089 1.00 0.00 C ATOM 292 C ARG A 28 -5.082 -7.100 6.566 1.00 0.00 C ATOM 293 O ARG A 28 -5.928 -7.941 6.252 1.00 0.00 O ATOM 294 CB ARG A 28 -3.674 -7.783 8.616 1.00 0.00 C ATOM 295 CG ARG A 28 -4.632 -8.899 9.068 1.00 0.00 C ATOM 296 CD ARG A 28 -4.391 -9.356 10.516 1.00 0.00 C ATOM 297 NE ARG A 28 -4.606 -8.289 11.509 1.00 0.00 N ATOM 298 CZ ARG A 28 -5.772 -7.808 11.921 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.927 -8.229 11.466 1.00 0.00 N ATOM 300 NH2 ARG A 28 -5.825 -6.864 12.826 1.00 0.00 N ATOM 0 H ARG A 28 -2.152 -6.193 7.457 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.545 -8.536 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.658 -8.033 8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.939 -6.853 9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.659 -8.548 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.523 -9.754 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.055 -10.191 10.741 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.370 -9.727 10.607 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.770 -7.877 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.960 -8.963 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.793 -7.823 11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.963 -6.489 13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.728 -6.503 13.134 1.00 0.00 H new ATOM 311 N ALA A 29 -5.283 -5.785 6.403 1.00 0.00 N ATOM 312 CA ALA A 29 -6.445 -5.187 5.740 1.00 0.00 C ATOM 313 C ALA A 29 -6.283 -5.032 4.218 1.00 0.00 C ATOM 314 O ALA A 29 -7.289 -5.050 3.515 1.00 0.00 O ATOM 315 CB ALA A 29 -6.711 -3.809 6.356 1.00 0.00 C ATOM 0 H ALA A 29 -4.619 -5.088 6.740 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.281 -5.869 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.574 -3.354 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.911 -3.919 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.838 -3.172 6.215 1.00 0.00 H new ATOM 321 N LEU A 30 -5.060 -4.870 3.695 1.00 0.00 N ATOM 322 CA LEU A 30 -4.801 -4.571 2.281 1.00 0.00 C ATOM 323 C LEU A 30 -5.366 -5.647 1.350 1.00 0.00 C ATOM 324 O LEU A 30 -6.072 -5.317 0.402 1.00 0.00 O ATOM 325 CB LEU A 30 -3.287 -4.360 2.081 1.00 0.00 C ATOM 326 CG LEU A 30 -2.845 -4.001 0.647 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.621 -2.812 0.069 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.348 -3.662 0.650 1.00 0.00 C ATOM 0 H LEU A 30 -4.209 -4.944 4.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.322 -3.652 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.958 -3.567 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.769 -5.270 2.384 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.052 -4.867 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.269 -2.604 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.684 -3.051 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.463 -1.935 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.031 -3.408 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.168 -2.814 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.781 -4.523 1.002 1.00 0.00 H new ATOM 339 N GLU A 31 -5.155 -6.928 1.666 1.00 0.00 N ATOM 340 CA GLU A 31 -5.729 -8.033 0.891 1.00 0.00 C ATOM 341 C GLU A 31 -7.238 -8.214 1.113 1.00 0.00 C ATOM 342 O GLU A 31 -7.858 -9.043 0.439 1.00 0.00 O ATOM 343 CB GLU A 31 -4.957 -9.335 1.133 1.00 0.00 C ATOM 344 CG GLU A 31 -4.925 -9.851 2.580 1.00 0.00 C ATOM 345 CD GLU A 31 -4.217 -11.207 2.656 1.00 0.00 C ATOM 346 OE1 GLU A 31 -3.064 -11.320 2.175 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.829 -12.184 3.150 1.00 0.00 O ATOM 0 H GLU A 31 -4.587 -7.227 2.459 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.618 -7.763 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.391 -10.112 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.930 -9.190 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.411 -9.131 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.942 -9.944 2.961 1.00 0.00 H new ATOM 352 N ARG A 32 -7.836 -7.437 2.025 1.00 0.00 N ATOM 353 CA ARG A 32 -9.273 -7.402 2.298 1.00 0.00 C ATOM 354 C ARG A 32 -9.980 -6.182 1.665 1.00 0.00 C ATOM 355 O ARG A 32 -11.205 -6.216 1.515 1.00 0.00 O ATOM 356 CB ARG A 32 -9.532 -7.425 3.818 1.00 0.00 C ATOM 357 CG ARG A 32 -8.875 -8.579 4.590 1.00 0.00 C ATOM 358 CD ARG A 32 -9.503 -9.944 4.302 1.00 0.00 C ATOM 359 NE ARG A 32 -10.794 -10.125 4.979 1.00 0.00 N ATOM 360 CZ ARG A 32 -11.591 -11.177 4.847 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.303 -12.191 4.063 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.719 -11.257 5.510 1.00 0.00 N ATOM 0 H ARG A 32 -7.309 -6.792 2.614 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.697 -8.293 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.182 -6.484 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.608 -7.468 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.815 -8.616 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.943 -8.375 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.642 -10.057 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.817 -10.730 4.619 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.103 -9.379 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.436 -12.190 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.946 -12.980 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.995 -10.503 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.320 -12.073 5.397 1.00 0.00 H new ATOM 373 N LEU A 33 -9.252 -5.129 1.254 1.00 0.00 N ATOM 374 CA LEU A 33 -9.809 -3.971 0.531 1.00 0.00 C ATOM 375 C LEU A 33 -10.448 -4.400 -0.801 1.00 0.00 C ATOM 376 O LEU A 33 -9.785 -4.966 -1.681 1.00 0.00 O ATOM 377 CB LEU A 33 -8.723 -2.901 0.274 1.00 0.00 C ATOM 378 CG LEU A 33 -8.062 -2.256 1.511 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.030 -1.207 1.071 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.067 -1.578 2.450 1.00 0.00 C ATOM 0 H LEU A 33 -8.248 -5.057 1.416 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.584 -3.537 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.938 -3.355 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.167 -2.106 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.588 -3.071 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.570 -0.758 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.262 -1.685 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.525 -0.432 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.537 -1.145 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.594 -0.791 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.785 -2.316 2.808 1.00 0.00 H new ATOM 391 N LYS A 34 -11.742 -4.118 -0.975 1.00 0.00 N ATOM 392 CA LYS A 34 -12.475 -4.479 -2.191 1.00 0.00 C ATOM 393 C LYS A 34 -11.935 -3.708 -3.409 1.00 0.00 C ATOM 394 O LYS A 34 -12.023 -2.481 -3.459 1.00 0.00 O ATOM 395 CB LYS A 34 -13.982 -4.257 -1.964 1.00 0.00 C ATOM 396 CG LYS A 34 -14.865 -4.584 -3.182 1.00 0.00 C ATOM 397 CD LYS A 34 -14.665 -6.014 -3.700 1.00 0.00 C ATOM 398 CE LYS A 34 -15.588 -6.286 -4.886 1.00 0.00 C ATOM 399 NZ LYS A 34 -15.242 -7.576 -5.519 1.00 0.00 N ATOM 0 H LYS A 34 -12.309 -3.634 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.324 -5.536 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.304 -4.870 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.145 -3.217 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.912 -4.444 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.645 -3.879 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.627 -6.157 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.868 -6.728 -2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.625 -6.304 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.502 -5.480 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.877 -7.749 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.258 -7.545 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.347 -8.343 -4.824 1.00 0.00 H new ATOM 409 N GLY A 35 -11.367 -4.433 -4.380 1.00 0.00 N ATOM 410 CA GLY A 35 -10.690 -3.891 -5.566 1.00 0.00 C ATOM 411 C GLY A 35 -9.203 -4.248 -5.643 1.00 0.00 C ATOM 412 O GLY A 35 -8.663 -4.306 -6.749 1.00 0.00 O ATOM 0 H GLY A 35 -11.366 -5.453 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.190 -4.262 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.795 -2.806 -5.569 1.00 0.00 H new ATOM 416 N VAL A 36 -8.557 -4.544 -4.509 1.00 0.00 N ATOM 417 CA VAL A 36 -7.150 -4.987 -4.449 1.00 0.00 C ATOM 418 C VAL A 36 -7.064 -6.486 -4.770 1.00 0.00 C ATOM 419 O VAL A 36 -7.919 -7.263 -4.342 1.00 0.00 O ATOM 420 CB VAL A 36 -6.512 -4.659 -3.076 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.069 -5.182 -2.960 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.509 -3.133 -2.861 1.00 0.00 C ATOM 0 H VAL A 36 -8.999 -4.483 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.579 -4.440 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.111 -5.157 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.667 -4.926 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.063 -6.265 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.453 -4.725 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.060 -2.903 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.932 -2.655 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.533 -2.760 -2.883 1.00 0.00 H new ATOM 432 N ALA A 37 -6.048 -6.875 -5.549 1.00 0.00 N ATOM 433 CA ALA A 37 -5.920 -8.201 -6.155 1.00 0.00 C ATOM 434 C ALA A 37 -4.754 -9.046 -5.603 1.00 0.00 C ATOM 435 O ALA A 37 -4.943 -10.250 -5.417 1.00 0.00 O ATOM 436 CB ALA A 37 -5.774 -7.992 -7.666 1.00 0.00 C ATOM 0 H ALA A 37 -5.271 -6.256 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.811 -8.778 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.675 -8.959 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.655 -7.478 -8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.887 -7.391 -7.866 1.00 0.00 H new ATOM 442 N GLU A 38 -3.579 -8.461 -5.332 1.00 0.00 N ATOM 443 CA GLU A 38 -2.406 -9.165 -4.771 1.00 0.00 C ATOM 444 C GLU A 38 -1.310 -8.186 -4.316 1.00 0.00 C ATOM 445 O GLU A 38 -0.855 -7.374 -5.117 1.00 0.00 O ATOM 446 CB GLU A 38 -1.813 -10.199 -5.762 1.00 0.00 C ATOM 447 CG GLU A 38 -1.976 -11.648 -5.274 1.00 0.00 C ATOM 448 CD GLU A 38 -1.068 -12.603 -6.044 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.142 -12.657 -5.724 1.00 0.00 O ATOM 450 OE2 GLU A 38 -1.544 -13.298 -6.972 1.00 0.00 O ATOM 0 H GLU A 38 -3.409 -7.469 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.771 -9.704 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.300 -10.089 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.754 -9.987 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.745 -11.703 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.014 -11.958 -5.391 1.00 0.00 H new ATOM 455 N ALA A 39 -0.841 -8.258 -3.065 1.00 0.00 N ATOM 456 CA ALA A 39 0.087 -7.263 -2.495 1.00 0.00 C ATOM 457 C ALA A 39 1.132 -7.858 -1.531 1.00 0.00 C ATOM 458 O ALA A 39 1.033 -9.021 -1.143 1.00 0.00 O ATOM 459 CB ALA A 39 -0.759 -6.192 -1.793 1.00 0.00 C ATOM 0 H ALA A 39 -1.091 -9.005 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 39 0.674 -6.839 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.103 -5.437 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.424 -5.721 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.351 -6.656 -1.004 1.00 0.00 H new ATOM 465 N SER A 40 2.131 -7.064 -1.130 1.00 0.00 N ATOM 466 CA SER A 40 3.091 -7.409 -0.062 1.00 0.00 C ATOM 467 C SER A 40 3.925 -6.198 0.398 1.00 0.00 C ATOM 468 O SER A 40 4.452 -5.448 -0.434 1.00 0.00 O ATOM 469 CB SER A 40 4.051 -8.529 -0.505 1.00 0.00 C ATOM 470 OG SER A 40 4.863 -8.971 0.576 1.00 0.00 O ATOM 0 H SER A 40 2.303 -6.147 -1.542 1.00 0.00 H new ATOM 0 HA SER A 40 2.485 -7.753 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.477 -9.368 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.685 -8.168 -1.315 1.00 0.00 H new ATOM 0 HG SER A 40 5.461 -9.683 0.266 1.00 0.00 H new ATOM 475 N VAL A 41 4.100 -6.032 1.716 1.00 0.00 N ATOM 476 CA VAL A 41 5.103 -5.113 2.289 1.00 0.00 C ATOM 477 C VAL A 41 6.465 -5.819 2.337 1.00 0.00 C ATOM 478 O VAL A 41 6.562 -6.926 2.872 1.00 0.00 O ATOM 479 CB VAL A 41 4.731 -4.621 3.711 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.758 -3.593 4.223 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.337 -3.974 3.765 1.00 0.00 C ATOM 0 H VAL A 41 3.552 -6.529 2.418 1.00 0.00 H new ATOM 0 HA VAL A 41 5.140 -4.234 1.645 1.00 0.00 H new ATOM 0 HB VAL A 41 4.731 -5.508 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.475 -3.263 5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.746 -4.052 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.781 -2.735 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.127 -3.647 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.309 -3.115 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.586 -4.701 3.455 1.00 0.00 H new ATOM 491 N THR A 42 7.516 -5.166 1.826 1.00 0.00 N ATOM 492 CA THR A 42 8.914 -5.613 1.944 1.00 0.00 C ATOM 493 C THR A 42 9.466 -5.065 3.258 1.00 0.00 C ATOM 494 O THR A 42 9.749 -3.874 3.386 1.00 0.00 O ATOM 495 CB THR A 42 9.722 -5.148 0.729 1.00 0.00 C ATOM 496 OG1 THR A 42 9.126 -5.681 -0.435 1.00 0.00 O ATOM 497 CG2 THR A 42 11.175 -5.619 0.771 1.00 0.00 C ATOM 0 H THR A 42 7.419 -4.293 1.307 1.00 0.00 H new ATOM 0 HA THR A 42 8.982 -6.701 1.959 1.00 0.00 H new ATOM 0 HB THR A 42 9.721 -4.058 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.631 -5.391 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.700 -5.260 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.660 -5.225 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.204 -6.708 0.793 1.00 0.00 H new ATOM 505 N VAL A 43 9.555 -5.932 4.264 1.00 0.00 N ATOM 506 CA VAL A 43 9.589 -5.535 5.685 1.00 0.00 C ATOM 507 C VAL A 43 10.878 -4.802 6.098 1.00 0.00 C ATOM 508 O VAL A 43 10.813 -3.910 6.946 1.00 0.00 O ATOM 509 CB VAL A 43 9.312 -6.766 6.583 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.460 -6.475 8.083 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.868 -7.255 6.362 1.00 0.00 C ATOM 0 H VAL A 43 9.606 -6.941 4.123 1.00 0.00 H new ATOM 0 HA VAL A 43 8.796 -4.801 5.828 1.00 0.00 H new ATOM 0 HB VAL A 43 10.053 -7.513 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.252 -7.381 8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.477 -6.142 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.757 -5.695 8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.676 -8.121 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.171 -6.457 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.734 -7.533 5.317 1.00 0.00 H new ATOM 521 N ALA A 44 12.022 -5.118 5.478 1.00 0.00 N ATOM 522 CA ALA A 44 13.335 -4.522 5.772 1.00 0.00 C ATOM 523 C ALA A 44 13.465 -3.015 5.449 1.00 0.00 C ATOM 524 O ALA A 44 14.418 -2.369 5.901 1.00 0.00 O ATOM 525 CB ALA A 44 14.376 -5.340 5.004 1.00 0.00 C ATOM 0 H ALA A 44 12.063 -5.816 4.735 1.00 0.00 H new ATOM 0 HA ALA A 44 13.487 -4.563 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.370 -4.933 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.340 -6.378 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.161 -5.292 3.937 1.00 0.00 H new ATOM 531 N THR A 45 12.516 -2.437 4.700 1.00 0.00 N ATOM 532 CA THR A 45 12.399 -0.981 4.452 1.00 0.00 C ATOM 533 C THR A 45 11.009 -0.437 4.759 1.00 0.00 C ATOM 534 O THR A 45 10.896 0.748 5.080 1.00 0.00 O ATOM 535 CB THR A 45 12.766 -0.626 3.003 1.00 0.00 C ATOM 536 OG1 THR A 45 12.270 -1.603 2.118 1.00 0.00 O ATOM 537 CG2 THR A 45 14.276 -0.504 2.808 1.00 0.00 C ATOM 0 H THR A 45 11.786 -2.977 4.235 1.00 0.00 H new ATOM 0 HA THR A 45 13.106 -0.511 5.136 1.00 0.00 H new ATOM 0 HB THR A 45 12.311 0.341 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.856 -1.663 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.490 -0.252 1.769 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.665 0.279 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.753 -1.452 3.057 1.00 0.00 H new ATOM 545 N GLY A 46 9.964 -1.269 4.688 1.00 0.00 N ATOM 546 CA GLY A 46 8.558 -0.860 4.824 1.00 0.00 C ATOM 547 C GLY A 46 7.928 -0.409 3.502 1.00 0.00 C ATOM 548 O GLY A 46 6.809 0.096 3.515 1.00 0.00 O ATOM 0 H GLY A 46 10.073 -2.271 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.982 -1.693 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.492 -0.047 5.546 1.00 0.00 H new ATOM 552 N ARG A 47 8.623 -0.592 2.370 1.00 0.00 N ATOM 553 CA ARG A 47 8.122 -0.264 1.028 1.00 0.00 C ATOM 554 C ARG A 47 7.094 -1.296 0.542 1.00 0.00 C ATOM 555 O ARG A 47 7.079 -2.443 0.995 1.00 0.00 O ATOM 556 CB ARG A 47 9.294 -0.096 0.046 1.00 0.00 C ATOM 557 CG ARG A 47 10.009 -1.409 -0.300 1.00 0.00 C ATOM 558 CD ARG A 47 11.270 -1.139 -1.125 1.00 0.00 C ATOM 559 NE ARG A 47 11.837 -2.396 -1.642 1.00 0.00 N ATOM 560 CZ ARG A 47 13.117 -2.738 -1.706 1.00 0.00 C ATOM 561 NH1 ARG A 47 14.093 -1.952 -1.311 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.439 -3.907 -2.204 1.00 0.00 N ATOM 0 H ARG A 47 9.567 -0.979 2.362 1.00 0.00 H new ATOM 0 HA ARG A 47 7.596 0.690 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.923 0.357 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.017 0.598 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.274 -1.937 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.336 -2.059 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.031 -0.474 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.010 -0.627 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 47 11.168 -3.083 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.883 -1.028 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.061 -2.265 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.710 -4.539 -2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.419 -4.185 -2.260 1.00 0.00 H new ATOM 573 N LEU A 48 6.233 -0.899 -0.396 1.00 0.00 N ATOM 574 CA LEU A 48 5.068 -1.683 -0.829 1.00 0.00 C ATOM 575 C LEU A 48 5.096 -2.035 -2.316 1.00 0.00 C ATOM 576 O LEU A 48 5.730 -1.343 -3.115 1.00 0.00 O ATOM 577 CB LEU A 48 3.802 -0.862 -0.526 1.00 0.00 C ATOM 578 CG LEU A 48 3.087 -1.267 0.767 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.111 -0.145 1.125 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.308 -2.579 0.575 1.00 0.00 C ATOM 0 H LEU A 48 6.324 -0.009 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 48 5.081 -2.628 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.072 0.192 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.107 -0.965 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 48 3.819 -1.423 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.583 -0.401 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.662 0.784 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.391 -0.017 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.809 -2.846 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.564 -2.449 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.998 -3.374 0.293 1.00 0.00 H new ATOM 591 N THR A 49 4.329 -3.075 -2.666 1.00 0.00 N ATOM 592 CA THR A 49 3.931 -3.460 -4.027 1.00 0.00 C ATOM 593 C THR A 49 2.486 -3.925 -3.946 1.00 0.00 C ATOM 594 O THR A 49 2.138 -4.674 -3.031 1.00 0.00 O ATOM 595 CB THR A 49 4.800 -4.590 -4.603 1.00 0.00 C ATOM 596 OG1 THR A 49 6.160 -4.269 -4.463 1.00 0.00 O ATOM 597 CG2 THR A 49 4.543 -4.779 -6.099 1.00 0.00 C ATOM 0 H THR A 49 3.946 -3.709 -1.965 1.00 0.00 H new ATOM 0 HA THR A 49 4.057 -2.605 -4.691 1.00 0.00 H new ATOM 0 HB THR A 49 4.545 -5.499 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.707 -4.994 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.172 -5.585 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.495 -5.031 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.779 -3.856 -6.628 1.00 0.00 H new ATOM 605 N VAL A 50 1.658 -3.474 -4.885 1.00 0.00 N ATOM 606 CA VAL A 50 0.215 -3.763 -4.914 1.00 0.00 C ATOM 607 C VAL A 50 -0.285 -3.953 -6.349 1.00 0.00 C ATOM 608 O VAL A 50 -0.033 -3.109 -7.205 1.00 0.00 O ATOM 609 CB VAL A 50 -0.581 -2.669 -4.152 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.388 -1.242 -4.703 1.00 0.00 C ATOM 611 CG2 VAL A 50 -2.084 -2.988 -4.092 1.00 0.00 C ATOM 0 H VAL A 50 1.969 -2.889 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 50 0.043 -4.707 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.159 -2.686 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.979 -0.541 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.665 -0.968 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.714 -1.206 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.603 -2.197 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.482 -3.056 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.234 -3.938 -3.579 1.00 0.00 H new ATOM 621 N THR A 51 -1.000 -5.059 -6.589 1.00 0.00 N ATOM 622 CA THR A 51 -1.800 -5.346 -7.790 1.00 0.00 C ATOM 623 C THR A 51 -3.256 -5.035 -7.466 1.00 0.00 C ATOM 624 O THR A 51 -3.756 -5.477 -6.430 1.00 0.00 O ATOM 625 CB THR A 51 -1.684 -6.816 -8.230 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.342 -7.177 -8.443 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.368 -7.059 -9.577 1.00 0.00 C ATOM 0 H THR A 51 -1.039 -5.822 -5.913 1.00 0.00 H new ATOM 0 HA THR A 51 -1.428 -4.732 -8.610 1.00 0.00 H new ATOM 0 HB THR A 51 -2.147 -7.394 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.057 -6.576 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.264 -8.108 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.426 -6.807 -9.499 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.902 -6.435 -10.340 1.00 0.00 H new ATOM 635 N TYR A 52 -3.952 -4.333 -8.358 1.00 0.00 N ATOM 636 CA TYR A 52 -5.360 -3.934 -8.206 1.00 0.00 C ATOM 637 C TYR A 52 -6.121 -3.885 -9.546 1.00 0.00 C ATOM 638 O TYR A 52 -5.511 -3.798 -10.614 1.00 0.00 O ATOM 639 CB TYR A 52 -5.427 -2.586 -7.465 1.00 0.00 C ATOM 640 CG TYR A 52 -4.727 -1.415 -8.144 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.383 -0.677 -9.147 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.428 -1.035 -7.746 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.743 0.414 -9.764 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.791 0.076 -8.334 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.449 0.805 -9.354 1.00 0.00 C ATOM 646 OH TYR A 52 -2.869 1.895 -9.930 1.00 0.00 O ATOM 0 H TYR A 52 -3.543 -4.013 -9.236 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.865 -4.699 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.475 -2.324 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.994 -2.717 -6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.385 -0.950 -9.445 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.916 -1.602 -6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.243 0.954 -10.554 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.804 0.370 -8.008 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.981 2.037 -9.541 1.00 0.00 H new ATOM 655 N ASP A 53 -7.461 -3.920 -9.499 1.00 0.00 N ATOM 656 CA ASP A 53 -8.331 -3.721 -10.659 1.00 0.00 C ATOM 657 C ASP A 53 -8.463 -2.200 -10.883 1.00 0.00 C ATOM 658 O ASP A 53 -9.092 -1.527 -10.054 1.00 0.00 O ATOM 659 CB ASP A 53 -9.690 -4.417 -10.417 1.00 0.00 C ATOM 660 CG ASP A 53 -10.719 -4.202 -11.541 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.921 -3.041 -11.961 1.00 0.00 O ATOM 662 OD2 ASP A 53 -11.349 -5.187 -11.993 1.00 0.00 O ATOM 0 H ASP A 53 -7.976 -4.091 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.915 -4.169 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.521 -5.487 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.111 -4.052 -9.480 1.00 0.00 H new ATOM 666 N PRO A 54 -7.893 -1.652 -11.978 1.00 0.00 N ATOM 667 CA PRO A 54 -7.784 -0.211 -12.214 1.00 0.00 C ATOM 668 C PRO A 54 -9.102 0.443 -12.653 1.00 0.00 C ATOM 669 O PRO A 54 -9.097 1.565 -13.159 1.00 0.00 O ATOM 670 CB PRO A 54 -6.679 -0.076 -13.261 1.00 0.00 C ATOM 671 CG PRO A 54 -6.850 -1.333 -14.100 1.00 0.00 C ATOM 672 CD PRO A 54 -7.205 -2.371 -13.046 1.00 0.00 C ATOM 0 HA PRO A 54 -7.546 0.323 -11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.797 0.828 -13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.691 -0.028 -12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.638 -1.222 -14.845 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.938 -1.592 -14.637 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.844 -3.148 -13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.309 -2.864 -12.668 1.00 0.00 H new ATOM 677 N LYS A 55 -10.230 -0.245 -12.467 1.00 0.00 N ATOM 678 CA LYS A 55 -11.578 0.262 -12.751 1.00 0.00 C ATOM 679 C LYS A 55 -12.457 0.190 -11.493 1.00 0.00 C ATOM 680 O LYS A 55 -13.236 1.105 -11.233 1.00 0.00 O ATOM 681 CB LYS A 55 -12.159 -0.538 -13.927 1.00 0.00 C ATOM 682 CG LYS A 55 -13.412 0.115 -14.523 1.00 0.00 C ATOM 683 CD LYS A 55 -14.033 -0.716 -15.655 1.00 0.00 C ATOM 684 CE LYS A 55 -13.106 -0.825 -16.876 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.719 -1.587 -17.989 1.00 0.00 N ATOM 0 H LYS A 55 -10.233 -1.198 -12.104 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.541 1.314 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.401 -0.637 -14.704 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.404 -1.545 -13.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.152 0.258 -13.735 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.155 1.104 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.262 -1.715 -15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.978 -0.264 -15.958 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.849 0.176 -17.223 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.175 -1.308 -16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.054 -1.631 -18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.940 -2.551 -17.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.594 -1.114 -18.293 1.00 0.00 H new ATOM 695 N GLN A 56 -12.269 -0.837 -10.657 1.00 0.00 N ATOM 696 CA GLN A 56 -12.790 -0.854 -9.289 1.00 0.00 C ATOM 697 C GLN A 56 -12.083 0.191 -8.412 1.00 0.00 C ATOM 698 O GLN A 56 -12.770 0.918 -7.701 1.00 0.00 O ATOM 699 CB GLN A 56 -12.626 -2.251 -8.665 1.00 0.00 C ATOM 700 CG GLN A 56 -13.490 -3.350 -9.311 1.00 0.00 C ATOM 701 CD GLN A 56 -14.966 -3.314 -8.900 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.544 -2.278 -8.590 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.629 -4.448 -8.855 1.00 0.00 N ATOM 0 H GLN A 56 -11.752 -1.678 -10.911 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.850 -0.606 -9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.578 -2.544 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.871 -2.191 -7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.424 -3.257 -10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.075 -4.323 -9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.165 -5.320 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.607 -4.456 -8.566 1.00 0.00 H new ATOM 710 N VAL A 57 -10.747 0.300 -8.456 1.00 0.00 N ATOM 711 CA VAL A 57 -9.971 1.175 -7.544 1.00 0.00 C ATOM 712 C VAL A 57 -8.661 1.666 -8.177 1.00 0.00 C ATOM 713 O VAL A 57 -8.327 1.302 -9.299 1.00 0.00 O ATOM 714 CB VAL A 57 -9.655 0.501 -6.178 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.904 0.138 -5.365 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.765 -0.745 -6.331 1.00 0.00 C ATOM 0 H VAL A 57 -10.168 -0.212 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.620 2.032 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.109 1.263 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.604 -0.328 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.477 1.041 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.519 -0.558 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.574 -1.178 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.271 -1.478 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.819 -0.462 -6.793 1.00 0.00 H new ATOM 726 N SER A 58 -7.898 2.473 -7.438 1.00 0.00 N ATOM 727 CA SER A 58 -6.557 2.932 -7.813 1.00 0.00 C ATOM 728 C SER A 58 -5.670 3.183 -6.576 1.00 0.00 C ATOM 729 O SER A 58 -6.053 2.852 -5.451 1.00 0.00 O ATOM 730 CB SER A 58 -6.684 4.196 -8.678 1.00 0.00 C ATOM 731 OG SER A 58 -7.050 5.337 -7.914 1.00 0.00 O ATOM 0 H SER A 58 -8.204 2.837 -6.535 1.00 0.00 H new ATOM 0 HA SER A 58 -6.065 2.149 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.736 4.387 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.429 4.028 -9.456 1.00 0.00 H new ATOM 0 HG SER A 58 -6.537 6.114 -8.220 1.00 0.00 H new ATOM 736 N GLU A 59 -4.515 3.839 -6.761 1.00 0.00 N ATOM 737 CA GLU A 59 -3.631 4.341 -5.692 1.00 0.00 C ATOM 738 C GLU A 59 -4.356 5.110 -4.563 1.00 0.00 C ATOM 739 O GLU A 59 -3.888 5.114 -3.424 1.00 0.00 O ATOM 740 CB GLU A 59 -2.512 5.192 -6.318 1.00 0.00 C ATOM 741 CG GLU A 59 -2.940 6.533 -6.941 1.00 0.00 C ATOM 742 CD GLU A 59 -3.804 6.374 -8.183 1.00 0.00 C ATOM 743 OE1 GLU A 59 -3.331 5.786 -9.184 1.00 0.00 O ATOM 744 OE2 GLU A 59 -4.976 6.816 -8.155 1.00 0.00 O ATOM 0 H GLU A 59 -4.155 4.043 -7.693 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.211 3.466 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.766 5.395 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.022 4.598 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.488 7.112 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.049 7.106 -7.198 1.00 0.00 H new ATOM 749 N ILE A 60 -5.521 5.706 -4.840 1.00 0.00 N ATOM 750 CA ILE A 60 -6.430 6.305 -3.844 1.00 0.00 C ATOM 751 C ILE A 60 -6.760 5.345 -2.691 1.00 0.00 C ATOM 752 O ILE A 60 -6.698 5.741 -1.525 1.00 0.00 O ATOM 753 CB ILE A 60 -7.714 6.769 -4.585 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.477 8.047 -5.421 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.928 6.931 -3.655 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.131 9.317 -4.627 1.00 0.00 C ATOM 0 H ILE A 60 -5.873 5.790 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.935 7.157 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.957 5.961 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.669 7.852 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.373 8.243 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.791 7.257 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.151 5.976 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.704 7.675 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.987 10.149 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.946 9.551 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.215 9.153 -4.059 1.00 0.00 H new ATOM 767 N THR A 61 -7.093 4.088 -3.010 1.00 0.00 N ATOM 768 CA THR A 61 -7.602 3.093 -2.054 1.00 0.00 C ATOM 769 C THR A 61 -6.546 2.660 -1.045 1.00 0.00 C ATOM 770 O THR A 61 -6.883 2.411 0.110 1.00 0.00 O ATOM 771 CB THR A 61 -8.216 1.927 -2.839 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.524 2.338 -3.188 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.311 0.608 -2.068 1.00 0.00 C ATOM 0 H THR A 61 -7.015 3.725 -3.960 1.00 0.00 H new ATOM 0 HA THR A 61 -8.384 3.543 -1.443 1.00 0.00 H new ATOM 0 HB THR A 61 -7.567 1.718 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.141 1.583 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.758 -0.155 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.313 0.290 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.930 0.748 -1.182 1.00 0.00 H new ATOM 781 N ILE A 62 -5.273 2.610 -1.432 1.00 0.00 N ATOM 782 CA ILE A 62 -4.172 2.304 -0.500 1.00 0.00 C ATOM 783 C ILE A 62 -3.673 3.555 0.246 1.00 0.00 C ATOM 784 O ILE A 62 -3.287 3.450 1.410 1.00 0.00 O ATOM 785 CB ILE A 62 -3.089 1.491 -1.250 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.160 0.766 -0.259 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.313 2.333 -2.275 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.158 -0.175 -0.942 1.00 0.00 C ATOM 0 H ILE A 62 -4.970 2.778 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.528 1.669 0.311 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.606 0.729 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.613 1.507 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.766 0.193 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.568 1.709 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.005 2.730 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.815 3.158 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.535 -0.653 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.699 -0.938 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.528 0.397 -1.623 1.00 0.00 H new ATOM 799 N GLN A 63 -3.770 4.742 -0.369 1.00 0.00 N ATOM 800 CA GLN A 63 -3.335 6.020 0.206 1.00 0.00 C ATOM 801 C GLN A 63 -3.986 6.318 1.563 1.00 0.00 C ATOM 802 O GLN A 63 -3.273 6.591 2.529 1.00 0.00 O ATOM 803 CB GLN A 63 -3.648 7.143 -0.801 1.00 0.00 C ATOM 804 CG GLN A 63 -3.132 8.523 -0.370 1.00 0.00 C ATOM 805 CD GLN A 63 -3.314 9.546 -1.489 1.00 0.00 C ATOM 806 OE1 GLN A 63 -4.213 10.387 -1.474 1.00 0.00 O ATOM 807 NE2 GLN A 63 -2.497 9.496 -2.516 1.00 0.00 N ATOM 0 H GLN A 63 -4.164 4.841 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.263 5.959 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.209 6.886 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.727 7.198 -0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.666 8.854 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.078 8.454 -0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.749 8.803 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.611 10.150 -3.291 1.00 0.00 H new ATOM 814 N GLU A 64 -5.321 6.264 1.646 1.00 0.00 N ATOM 815 CA GLU A 64 -6.048 6.645 2.867 1.00 0.00 C ATOM 816 C GLU A 64 -5.717 5.716 4.042 1.00 0.00 C ATOM 817 O GLU A 64 -5.461 6.211 5.140 1.00 0.00 O ATOM 818 CB GLU A 64 -7.565 6.715 2.611 1.00 0.00 C ATOM 819 CG GLU A 64 -7.955 7.682 1.480 1.00 0.00 C ATOM 820 CD GLU A 64 -9.465 7.907 1.408 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.231 6.943 1.172 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.921 9.058 1.599 1.00 0.00 O ATOM 0 H GLU A 64 -5.923 5.959 0.881 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.713 7.643 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.930 5.717 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.066 7.022 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.454 8.638 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.603 7.286 0.528 1.00 0.00 H new ATOM 827 N ARG A 65 -5.633 4.399 3.804 1.00 0.00 N ATOM 828 CA ARG A 65 -5.200 3.386 4.780 1.00 0.00 C ATOM 829 C ARG A 65 -3.743 3.590 5.231 1.00 0.00 C ATOM 830 O ARG A 65 -3.455 3.401 6.411 1.00 0.00 O ATOM 831 CB ARG A 65 -5.475 1.992 4.174 1.00 0.00 C ATOM 832 CG ARG A 65 -4.808 0.763 4.827 1.00 0.00 C ATOM 833 CD ARG A 65 -5.015 0.537 6.334 1.00 0.00 C ATOM 834 NE ARG A 65 -6.421 0.313 6.695 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.879 -0.414 7.705 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.097 -1.041 8.560 1.00 0.00 N ATOM 837 NH2 ARG A 65 -8.174 -0.512 7.874 1.00 0.00 N ATOM 0 H ARG A 65 -5.872 3.996 2.898 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.774 3.485 5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.553 1.831 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.170 2.019 3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.164 -0.125 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.735 0.831 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.423 -0.322 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.639 1.402 6.880 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.120 0.765 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.083 -0.981 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.505 -1.587 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.809 -0.034 7.235 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.547 -1.066 8.645 1.00 0.00 H new ATOM 848 N ILE A 66 -2.817 4.006 4.358 1.00 0.00 N ATOM 849 CA ILE A 66 -1.439 4.344 4.785 1.00 0.00 C ATOM 850 C ILE A 66 -1.439 5.574 5.709 1.00 0.00 C ATOM 851 O ILE A 66 -0.864 5.522 6.797 1.00 0.00 O ATOM 852 CB ILE A 66 -0.500 4.501 3.562 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.302 3.144 2.842 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.880 5.029 4.005 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.160 3.294 1.387 1.00 0.00 C ATOM 0 H ILE A 66 -2.987 4.118 3.359 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.040 3.516 5.371 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.966 5.211 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.431 2.553 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.240 2.588 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.527 5.133 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.761 6.000 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.329 4.328 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.280 2.307 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.584 3.859 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.113 3.823 1.360 1.00 0.00 H new ATOM 866 N ALA A 67 -2.123 6.654 5.322 1.00 0.00 N ATOM 867 CA ALA A 67 -2.177 7.886 6.112 1.00 0.00 C ATOM 868 C ALA A 67 -2.917 7.708 7.465 1.00 0.00 C ATOM 869 O ALA A 67 -2.544 8.314 8.474 1.00 0.00 O ATOM 870 CB ALA A 67 -2.848 8.959 5.243 1.00 0.00 C ATOM 0 H ALA A 67 -2.655 6.699 4.453 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.164 8.183 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.906 9.894 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.262 9.112 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.853 8.634 4.974 1.00 0.00 H new ATOM 876 N ALA A 68 -3.961 6.865 7.505 1.00 0.00 N ATOM 877 CA ALA A 68 -4.857 6.675 8.652 1.00 0.00 C ATOM 878 C ALA A 68 -4.208 5.923 9.823 1.00 0.00 C ATOM 879 O ALA A 68 -4.580 6.132 10.981 1.00 0.00 O ATOM 880 CB ALA A 68 -6.093 5.912 8.152 1.00 0.00 C ATOM 0 H ALA A 68 -4.212 6.277 6.710 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.119 7.657 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.782 5.753 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.589 6.493 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.786 4.948 7.746 1.00 0.00 H new ATOM 886 N LEU A 69 -3.237 5.050 9.533 1.00 0.00 N ATOM 887 CA LEU A 69 -2.489 4.267 10.528 1.00 0.00 C ATOM 888 C LEU A 69 -1.202 4.977 10.997 1.00 0.00 C ATOM 889 O LEU A 69 -0.391 4.397 11.725 1.00 0.00 O ATOM 890 CB LEU A 69 -2.263 2.849 9.961 1.00 0.00 C ATOM 891 CG LEU A 69 -3.448 1.872 10.166 1.00 0.00 C ATOM 892 CD1 LEU A 69 -3.645 1.538 11.651 1.00 0.00 C ATOM 893 CD2 LEU A 69 -4.794 2.367 9.612 1.00 0.00 C ATOM 0 H LEU A 69 -2.940 4.862 8.575 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.073 4.175 11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.056 2.928 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.374 2.424 10.427 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.161 0.989 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.484 0.851 11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.740 1.072 12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.851 2.453 12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.563 1.618 9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.068 3.301 10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.706 2.534 8.538 1.00 0.00 H new ATOM 904 N GLY A 70 -1.022 6.248 10.619 1.00 0.00 N ATOM 905 CA GLY A 70 0.078 7.090 11.090 1.00 0.00 C ATOM 906 C GLY A 70 1.367 6.861 10.313 1.00 0.00 C ATOM 907 O GLY A 70 2.450 6.937 10.893 1.00 0.00 O ATOM 0 H GLY A 70 -1.646 6.725 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.210 8.138 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.255 6.891 12.147 1.00 0.00 H new ATOM 911 N TYR A 71 1.261 6.586 9.014 1.00 0.00 N ATOM 912 CA TYR A 71 2.379 6.520 8.069 1.00 0.00 C ATOM 913 C TYR A 71 2.175 7.530 6.920 1.00 0.00 C ATOM 914 O TYR A 71 1.199 8.288 6.923 1.00 0.00 O ATOM 915 CB TYR A 71 2.551 5.058 7.615 1.00 0.00 C ATOM 916 CG TYR A 71 2.755 4.103 8.783 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.886 4.245 9.609 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.779 3.140 9.104 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.032 3.451 10.761 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.927 2.329 10.248 1.00 0.00 C ATOM 921 CZ TYR A 71 3.051 2.491 11.088 1.00 0.00 C ATOM 922 OH TYR A 71 3.182 1.745 12.220 1.00 0.00 O ATOM 0 H TYR A 71 0.361 6.396 8.573 1.00 0.00 H new ATOM 0 HA TYR A 71 3.315 6.818 8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.671 4.751 7.049 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.404 4.989 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.647 4.969 9.357 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.912 3.022 8.470 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.896 3.576 11.396 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.181 1.584 10.482 1.00 0.00 H new ATOM 0 HH TYR A 71 2.421 1.132 12.298 1.00 0.00 H new ATOM 931 N THR A 72 3.113 7.600 5.969 1.00 0.00 N ATOM 932 CA THR A 72 3.109 8.560 4.841 1.00 0.00 C ATOM 933 C THR A 72 3.719 7.900 3.599 1.00 0.00 C ATOM 934 O THR A 72 4.250 6.798 3.721 1.00 0.00 O ATOM 935 CB THR A 72 3.884 9.844 5.197 1.00 0.00 C ATOM 936 OG1 THR A 72 5.144 9.540 5.756 1.00 0.00 O ATOM 937 CG2 THR A 72 3.147 10.727 6.201 1.00 0.00 C ATOM 0 H THR A 72 3.921 6.977 5.955 1.00 0.00 H new ATOM 0 HA THR A 72 2.077 8.841 4.633 1.00 0.00 H new ATOM 0 HB THR A 72 3.990 10.382 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.616 10.372 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.743 11.615 6.411 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.185 11.026 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.986 10.171 7.125 1.00 0.00 H new ATOM 945 N LEU A 73 3.661 8.523 2.410 1.00 0.00 N ATOM 946 CA LEU A 73 4.069 7.859 1.154 1.00 0.00 C ATOM 947 C LEU A 73 4.588 8.764 0.022 1.00 0.00 C ATOM 948 O LEU A 73 4.255 9.947 -0.082 1.00 0.00 O ATOM 949 CB LEU A 73 2.925 6.948 0.647 1.00 0.00 C ATOM 950 CG LEU A 73 1.778 7.616 -0.145 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.746 6.549 -0.529 1.00 0.00 C ATOM 952 CD2 LEU A 73 1.058 8.728 0.627 1.00 0.00 C ATOM 0 H LEU A 73 3.337 9.483 2.289 1.00 0.00 H new ATOM 0 HA LEU A 73 4.948 7.277 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.365 6.176 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.489 6.444 1.510 1.00 0.00 H new ATOM 0 HG LEU A 73 2.236 8.077 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.066 7.013 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.223 5.787 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.347 6.087 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.267 9.148 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.624 8.316 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.770 9.511 0.886 1.00 0.00 H new ATOM 963 N ALA A 74 5.335 8.144 -0.896 1.00 0.00 N ATOM 964 CA ALA A 74 5.604 8.609 -2.256 1.00 0.00 C ATOM 965 C ALA A 74 5.211 7.509 -3.265 1.00 0.00 C ATOM 966 O ALA A 74 5.750 6.400 -3.221 1.00 0.00 O ATOM 967 CB ALA A 74 7.095 8.957 -2.375 1.00 0.00 C ATOM 0 H ALA A 74 5.793 7.255 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 74 5.015 9.499 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.308 9.305 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.344 9.742 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.693 8.071 -2.163 1.00 0.00 H new ATOM 973 N GLU A 75 4.281 7.824 -4.167 1.00 0.00 N ATOM 974 CA GLU A 75 3.807 6.968 -5.265 1.00 0.00 C ATOM 975 C GLU A 75 4.111 7.719 -6.587 1.00 0.00 C ATOM 976 O GLU A 75 3.993 8.952 -6.618 1.00 0.00 O ATOM 977 CB GLU A 75 2.321 6.640 -4.992 1.00 0.00 C ATOM 978 CG GLU A 75 1.581 5.711 -5.971 1.00 0.00 C ATOM 979 CD GLU A 75 0.910 6.427 -7.145 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.400 7.556 -6.953 1.00 0.00 O ATOM 981 OE2 GLU A 75 0.808 5.830 -8.242 1.00 0.00 O ATOM 0 H GLU A 75 3.811 8.729 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 75 4.307 6.003 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.257 6.194 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.775 7.583 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.289 4.981 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.822 5.155 -5.420 1.00 0.00 H new ATOM 986 N PRO A 76 4.628 7.055 -7.643 1.00 0.00 N ATOM 987 CA PRO A 76 5.461 7.721 -8.654 1.00 0.00 C ATOM 988 C PRO A 76 4.734 8.627 -9.657 1.00 0.00 C ATOM 989 O PRO A 76 5.331 9.684 -9.976 1.00 0.00 O ATOM 990 CB PRO A 76 6.259 6.613 -9.353 1.00 0.00 C ATOM 991 CG PRO A 76 5.402 5.374 -9.139 1.00 0.00 C ATOM 992 CD PRO A 76 4.799 5.614 -7.759 1.00 0.00 C ATOM 0 HA PRO A 76 6.099 8.438 -8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.400 6.826 -10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.251 6.496 -8.917 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.633 5.277 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.997 4.461 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.845 5.098 -7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.454 5.234 -6.975 1.00 0.00 H new