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 42 THR OG1 : rot -112:sc= 0.0861 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.8!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 12 MET CE :methyl -160:sc= -0.18 (180deg=-0.657) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 168:sc= 0 (180deg=-0.124) USER MOD Single : A 22 CYS SG : rot 30:sc= 0.00035 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 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.275 USER MOD Single : A 61 THR OG1 : rot -130:sc=-0.00497 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.156 -5.339 -14.268 1.00 0.00 N ATOM 14 CA LEU A 7 -5.535 -5.076 -12.971 1.00 0.00 C ATOM 15 C LEU A 7 -4.022 -5.304 -13.019 1.00 0.00 C ATOM 16 O LEU A 7 -3.539 -6.302 -13.561 1.00 0.00 O ATOM 17 CB LEU A 7 -6.238 -5.843 -11.830 1.00 0.00 C ATOM 18 CG LEU A 7 -6.240 -7.389 -11.864 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.861 -7.873 -10.549 1.00 0.00 C ATOM 20 CD2 LEU A 7 -7.049 -7.999 -13.021 1.00 0.00 C ATOM 0 HA LEU A 7 -5.674 -4.020 -12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.778 -5.534 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.276 -5.512 -11.800 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.207 -7.708 -12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.880 -8.963 -10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.267 -7.510 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.878 -7.491 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.996 -9.086 -12.968 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.089 -7.682 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.636 -7.661 -13.971 1.00 0.00 H new ATOM 31 N LYS A 8 -3.269 -4.354 -12.464 1.00 0.00 N ATOM 32 CA LYS A 8 -1.815 -4.246 -12.636 1.00 0.00 C ATOM 33 C LYS A 8 -1.085 -3.878 -11.333 1.00 0.00 C ATOM 34 O LYS A 8 -1.667 -3.257 -10.435 1.00 0.00 O ATOM 35 CB LYS A 8 -1.504 -3.277 -13.799 1.00 0.00 C ATOM 36 CG LYS A 8 -1.844 -1.799 -13.532 1.00 0.00 C ATOM 37 CD LYS A 8 -1.601 -0.943 -14.785 1.00 0.00 C ATOM 38 CE LYS A 8 -1.779 0.550 -14.474 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.555 1.392 -15.674 1.00 0.00 N ATOM 0 H LYS A 8 -3.658 -3.622 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.425 -5.229 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.443 -3.351 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.054 -3.606 -14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.886 -1.712 -13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.236 -1.425 -12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.594 -1.122 -15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.294 -1.239 -15.572 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.784 0.724 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.082 0.843 -13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.684 2.393 -15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.587 1.245 -16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.236 1.129 -16.415 1.00 0.00 H new ATOM 49 N THR A 9 0.187 -4.277 -11.235 1.00 0.00 N ATOM 50 CA THR A 9 1.089 -4.006 -10.105 1.00 0.00 C ATOM 51 C THR A 9 1.432 -2.519 -9.996 1.00 0.00 C ATOM 52 O THR A 9 1.377 -1.781 -10.977 1.00 0.00 O ATOM 53 CB THR A 9 2.335 -4.893 -10.218 1.00 0.00 C ATOM 54 OG1 THR A 9 3.050 -4.864 -9.007 1.00 0.00 O ATOM 55 CG2 THR A 9 3.268 -4.486 -11.359 1.00 0.00 C ATOM 0 H THR A 9 0.638 -4.821 -11.971 1.00 0.00 H new ATOM 0 HA THR A 9 0.578 -4.258 -9.176 1.00 0.00 H new ATOM 0 HB THR A 9 1.979 -5.900 -10.437 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.844 -5.433 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.128 -5.155 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.733 -4.550 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.608 -3.462 -11.203 1.00 0.00 H new ATOM 63 N GLN A 10 1.821 -2.098 -8.798 1.00 0.00 N ATOM 64 CA GLN A 10 2.255 -0.754 -8.435 1.00 0.00 C ATOM 65 C GLN A 10 3.075 -0.895 -7.148 1.00 0.00 C ATOM 66 O GLN A 10 2.739 -1.735 -6.305 1.00 0.00 O ATOM 67 CB GLN A 10 1.019 0.140 -8.203 1.00 0.00 C ATOM 68 CG GLN A 10 1.298 1.650 -8.087 1.00 0.00 C ATOM 69 CD GLN A 10 1.655 2.319 -9.415 1.00 0.00 C ATOM 70 OE1 GLN A 10 2.588 1.931 -10.108 1.00 0.00 O ATOM 71 NE2 GLN A 10 0.977 3.374 -9.807 1.00 0.00 N ATOM 0 H GLN A 10 1.843 -2.731 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 10 2.853 -0.293 -9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.319 -0.019 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.521 -0.190 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.419 2.141 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.115 1.805 -7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.196 3.716 -9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.231 3.851 -10.672 1.00 0.00 H new ATOM 78 N GLN A 11 4.124 -0.087 -6.974 1.00 0.00 N ATOM 79 CA GLN A 11 4.980 -0.132 -5.789 1.00 0.00 C ATOM 80 C GLN A 11 5.326 1.283 -5.315 1.00 0.00 C ATOM 81 O GLN A 11 5.357 2.233 -6.100 1.00 0.00 O ATOM 82 CB GLN A 11 6.235 -0.986 -6.062 1.00 0.00 C ATOM 83 CG GLN A 11 7.236 -0.263 -6.975 1.00 0.00 C ATOM 84 CD GLN A 11 8.378 -1.134 -7.488 1.00 0.00 C ATOM 85 OE1 GLN A 11 8.223 -2.307 -7.812 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.557 -0.579 -7.649 1.00 0.00 N ATOM 0 H GLN A 11 4.403 0.619 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 11 4.435 -0.613 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.719 -1.232 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.939 -1.928 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.697 0.146 -7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.658 0.582 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.702 0.395 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.327 -1.122 -8.038 1.00 0.00 H new ATOM 93 N MET A 12 5.594 1.420 -4.019 1.00 0.00 N ATOM 94 CA MET A 12 5.680 2.709 -3.341 1.00 0.00 C ATOM 95 C MET A 12 6.628 2.676 -2.147 1.00 0.00 C ATOM 96 O MET A 12 6.791 1.653 -1.473 1.00 0.00 O ATOM 97 CB MET A 12 4.279 3.180 -2.908 1.00 0.00 C ATOM 98 CG MET A 12 3.438 2.143 -2.135 1.00 0.00 C ATOM 99 SD MET A 12 2.597 0.849 -3.098 1.00 0.00 S ATOM 100 CE MET A 12 1.608 1.851 -4.236 1.00 0.00 C ATOM 0 H MET A 12 5.760 0.625 -3.401 1.00 0.00 H new ATOM 0 HA MET A 12 6.093 3.422 -4.054 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.390 4.068 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.725 3.481 -3.797 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.091 1.653 -1.413 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.681 2.682 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.792 1.249 -4.636 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.198 2.709 -3.703 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.237 2.199 -5.055 1.00 0.00 H new ATOM 108 N GLN A 13 7.202 3.841 -1.849 1.00 0.00 N ATOM 109 CA GLN A 13 7.807 4.093 -0.552 1.00 0.00 C ATOM 110 C GLN A 13 6.718 4.509 0.454 1.00 0.00 C ATOM 111 O GLN A 13 5.671 5.044 0.085 1.00 0.00 O ATOM 112 CB GLN A 13 8.932 5.143 -0.673 1.00 0.00 C ATOM 113 CG GLN A 13 10.236 4.542 -1.225 1.00 0.00 C ATOM 114 CD GLN A 13 11.458 5.438 -1.009 1.00 0.00 C ATOM 115 OE1 GLN A 13 12.486 5.006 -0.497 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.436 6.697 -1.386 1.00 0.00 N ATOM 0 H GLN A 13 7.258 4.627 -2.497 1.00 0.00 H new ATOM 0 HA GLN A 13 8.271 3.180 -0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.603 5.951 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.123 5.582 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.413 3.578 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.117 4.353 -2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.596 7.086 -1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.259 7.285 -1.250 1.00 0.00 H new ATOM 123 N VAL A 14 6.980 4.272 1.738 1.00 0.00 N ATOM 124 CA VAL A 14 6.060 4.553 2.848 1.00 0.00 C ATOM 125 C VAL A 14 6.853 5.017 4.065 1.00 0.00 C ATOM 126 O VAL A 14 7.780 4.335 4.500 1.00 0.00 O ATOM 127 CB VAL A 14 5.129 3.363 3.190 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.854 2.016 3.342 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.272 3.646 4.437 1.00 0.00 C ATOM 0 H VAL A 14 7.863 3.867 2.048 1.00 0.00 H new ATOM 0 HA VAL A 14 5.394 5.353 2.526 1.00 0.00 H new ATOM 0 HB VAL A 14 4.478 3.267 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.129 1.238 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.359 1.767 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.588 2.087 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.634 2.787 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.923 3.827 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.652 4.525 4.261 1.00 0.00 H new ATOM 139 N GLY A 15 6.477 6.175 4.608 1.00 0.00 N ATOM 140 CA GLY A 15 7.161 6.812 5.728 1.00 0.00 C ATOM 141 C GLY A 15 6.790 6.138 7.040 1.00 0.00 C ATOM 142 O GLY A 15 5.677 6.319 7.523 1.00 0.00 O ATOM 0 H GLY A 15 5.672 6.705 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.239 6.759 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.896 7.868 5.769 1.00 0.00 H new ATOM 146 N GLY A 16 7.727 5.372 7.605 1.00 0.00 N ATOM 147 CA GLY A 16 7.636 4.803 8.956 1.00 0.00 C ATOM 148 C GLY A 16 7.142 3.356 9.063 1.00 0.00 C ATOM 149 O GLY A 16 7.030 2.868 10.185 1.00 0.00 O ATOM 0 H GLY A 16 8.592 5.123 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.622 4.860 9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.971 5.434 9.547 1.00 0.00 H new ATOM 153 N MET A 17 6.865 2.638 7.964 1.00 0.00 N ATOM 154 CA MET A 17 6.463 1.217 8.036 1.00 0.00 C ATOM 155 C MET A 17 7.616 0.254 8.408 1.00 0.00 C ATOM 156 O MET A 17 7.353 -0.842 8.901 1.00 0.00 O ATOM 157 CB MET A 17 5.823 0.802 6.700 1.00 0.00 C ATOM 158 CG MET A 17 4.978 -0.472 6.831 1.00 0.00 C ATOM 159 SD MET A 17 4.270 -1.096 5.283 1.00 0.00 S ATOM 160 CE MET A 17 5.761 -1.776 4.514 1.00 0.00 C ATOM 0 H MET A 17 6.910 3.012 7.016 1.00 0.00 H new ATOM 0 HA MET A 17 5.741 1.134 8.849 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.197 1.615 6.332 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.606 0.642 5.959 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.597 -1.255 7.270 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.165 -0.278 7.531 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.481 -2.387 3.656 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.405 -0.960 4.185 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.296 -2.391 5.238 1.00 0.00 H new ATOM 219 N CYS A 22 4.484 -3.422 12.054 1.00 0.00 N ATOM 220 CA CYS A 22 3.501 -2.403 11.653 1.00 0.00 C ATOM 221 C CYS A 22 2.943 -2.572 10.228 1.00 0.00 C ATOM 222 O CYS A 22 1.768 -2.294 9.991 1.00 0.00 O ATOM 223 CB CYS A 22 4.178 -1.030 11.816 1.00 0.00 C ATOM 224 SG CYS A 22 4.725 -0.797 13.533 1.00 0.00 S ATOM 0 HA CYS A 22 2.626 -2.508 12.295 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.031 -0.955 11.142 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.482 -0.238 11.538 1.00 0.00 H new ATOM 0 HG CYS A 22 5.007 -1.952 14.059 1.00 0.00 H new ATOM 229 N ALA A 23 3.742 -3.106 9.299 1.00 0.00 N ATOM 230 CA ALA A 23 3.312 -3.525 7.962 1.00 0.00 C ATOM 231 C ALA A 23 2.051 -4.421 7.974 1.00 0.00 C ATOM 232 O ALA A 23 1.213 -4.345 7.075 1.00 0.00 O ATOM 233 CB ALA A 23 4.512 -4.244 7.346 1.00 0.00 C ATOM 0 H ALA A 23 4.737 -3.263 9.462 1.00 0.00 H new ATOM 0 HA ALA A 23 3.013 -2.657 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.257 -4.584 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.358 -3.559 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.778 -5.102 7.963 1.00 0.00 H new ATOM 239 N SER A 24 1.852 -5.217 9.027 1.00 0.00 N ATOM 240 CA SER A 24 0.665 -6.068 9.192 1.00 0.00 C ATOM 241 C SER A 24 -0.638 -5.275 9.412 1.00 0.00 C ATOM 242 O SER A 24 -1.713 -5.776 9.097 1.00 0.00 O ATOM 243 CB SER A 24 0.880 -7.070 10.336 1.00 0.00 C ATOM 244 OG SER A 24 0.990 -6.436 11.605 1.00 0.00 O ATOM 0 H SER A 24 2.515 -5.292 9.798 1.00 0.00 H new ATOM 0 HA SER A 24 0.541 -6.604 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.049 -7.775 10.357 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.784 -7.648 10.143 1.00 0.00 H new ATOM 0 HG SER A 24 1.124 -7.115 12.299 1.00 0.00 H new ATOM 249 N SER A 25 -0.587 -4.024 9.881 1.00 0.00 N ATOM 250 CA SER A 25 -1.771 -3.147 9.960 1.00 0.00 C ATOM 251 C SER A 25 -2.171 -2.602 8.579 1.00 0.00 C ATOM 252 O SER A 25 -3.287 -2.114 8.403 1.00 0.00 O ATOM 253 CB SER A 25 -1.556 -1.967 10.924 1.00 0.00 C ATOM 254 OG SER A 25 -1.096 -2.371 12.204 1.00 0.00 O ATOM 0 H SER A 25 0.271 -3.587 10.217 1.00 0.00 H new ATOM 0 HA SER A 25 -2.578 -3.771 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.836 -1.275 10.487 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.493 -1.422 11.037 1.00 0.00 H new ATOM 0 HG SER A 25 -0.976 -1.582 12.772 1.00 0.00 H new ATOM 259 N ILE A 26 -1.277 -2.701 7.590 1.00 0.00 N ATOM 260 CA ILE A 26 -1.508 -2.306 6.193 1.00 0.00 C ATOM 261 C ILE A 26 -1.955 -3.511 5.353 1.00 0.00 C ATOM 262 O ILE A 26 -2.888 -3.408 4.553 1.00 0.00 O ATOM 263 CB ILE A 26 -0.211 -1.695 5.602 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.506 -0.657 6.499 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.518 -1.103 4.221 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.319 0.579 6.869 1.00 0.00 C ATOM 0 H ILE A 26 -0.339 -3.071 7.744 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.302 -1.560 6.168 1.00 0.00 H new ATOM 0 HB ILE A 26 0.501 -2.517 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.818 -1.152 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.412 -0.328 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.390 -0.672 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.886 -1.889 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.277 -0.327 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.278 1.240 7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.610 1.108 5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.213 0.271 7.411 1.00 0.00 H new ATOM 277 N GLU A 27 -1.273 -4.648 5.515 1.00 0.00 N ATOM 278 CA GLU A 27 -1.427 -5.839 4.672 1.00 0.00 C ATOM 279 C GLU A 27 -2.579 -6.755 5.121 1.00 0.00 C ATOM 280 O GLU A 27 -3.147 -7.461 4.284 1.00 0.00 O ATOM 281 CB GLU A 27 -0.090 -6.596 4.656 1.00 0.00 C ATOM 282 CG GLU A 27 0.053 -7.591 3.495 1.00 0.00 C ATOM 283 CD GLU A 27 1.375 -8.354 3.577 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.518 -9.178 4.513 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.263 -8.159 2.712 1.00 0.00 O ATOM 0 H GLU A 27 -0.581 -4.770 6.254 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.693 -5.514 3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.724 -5.873 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.022 -7.134 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.778 -8.296 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.003 -7.057 2.546 1.00 0.00 H new ATOM 290 N ARG A 28 -2.983 -6.725 6.402 1.00 0.00 N ATOM 291 CA ARG A 28 -4.157 -7.479 6.871 1.00 0.00 C ATOM 292 C ARG A 28 -5.448 -6.991 6.190 1.00 0.00 C ATOM 293 O ARG A 28 -6.262 -7.800 5.748 1.00 0.00 O ATOM 294 CB ARG A 28 -4.238 -7.378 8.406 1.00 0.00 C ATOM 295 CG ARG A 28 -5.342 -8.213 9.078 1.00 0.00 C ATOM 296 CD ARG A 28 -4.898 -9.640 9.429 1.00 0.00 C ATOM 297 NE ARG A 28 -4.530 -10.415 8.236 1.00 0.00 N ATOM 298 CZ ARG A 28 -5.368 -10.970 7.371 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.673 -10.983 7.564 1.00 0.00 N ATOM 300 NH2 ARG A 28 -4.890 -11.515 6.278 1.00 0.00 N ATOM 0 H ARG A 28 -2.514 -6.187 7.131 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.047 -8.528 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.277 -7.681 8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.386 -6.332 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.667 -7.707 9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.205 -8.262 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.047 -9.597 10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.703 -10.150 9.957 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.534 -10.538 8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.069 -10.556 8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.286 -11.420 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.885 -11.508 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.523 -11.946 5.604 1.00 0.00 H new ATOM 311 N ALA A 29 -5.607 -5.673 6.031 1.00 0.00 N ATOM 312 CA ALA A 29 -6.755 -5.058 5.363 1.00 0.00 C ATOM 313 C ALA A 29 -6.895 -5.422 3.877 1.00 0.00 C ATOM 314 O ALA A 29 -8.028 -5.476 3.400 1.00 0.00 O ATOM 315 CB ALA A 29 -6.663 -3.543 5.536 1.00 0.00 C ATOM 0 H ALA A 29 -4.927 -4.992 6.370 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.652 -5.457 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.512 -3.068 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.675 -3.297 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.736 -3.181 5.090 1.00 0.00 H new ATOM 321 N LEU A 30 -5.791 -5.697 3.157 1.00 0.00 N ATOM 322 CA LEU A 30 -5.784 -6.120 1.740 1.00 0.00 C ATOM 323 C LEU A 30 -6.964 -7.018 1.364 1.00 0.00 C ATOM 324 O LEU A 30 -7.698 -6.724 0.419 1.00 0.00 O ATOM 325 CB LEU A 30 -4.457 -6.857 1.450 1.00 0.00 C ATOM 326 CG LEU A 30 -4.179 -7.347 0.007 1.00 0.00 C ATOM 327 CD1 LEU A 30 -5.039 -8.511 -0.513 1.00 0.00 C ATOM 328 CD2 LEU A 30 -4.191 -6.181 -0.992 1.00 0.00 C ATOM 0 H LEU A 30 -4.854 -5.630 3.553 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.880 -5.220 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.641 -6.194 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.410 -7.724 2.109 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.179 -7.774 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.743 -8.755 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.895 -9.383 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.090 -8.221 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.993 -6.559 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.167 -5.696 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.422 -5.459 -0.718 1.00 0.00 H new ATOM 339 N GLU A 31 -7.164 -8.112 2.102 1.00 0.00 N ATOM 340 CA GLU A 31 -8.109 -9.157 1.719 1.00 0.00 C ATOM 341 C GLU A 31 -9.576 -8.762 1.974 1.00 0.00 C ATOM 342 O GLU A 31 -10.484 -9.545 1.689 1.00 0.00 O ATOM 343 CB GLU A 31 -7.767 -10.483 2.420 1.00 0.00 C ATOM 344 CG GLU A 31 -7.688 -10.381 3.950 1.00 0.00 C ATOM 345 CD GLU A 31 -7.653 -11.759 4.606 1.00 0.00 C ATOM 346 OE1 GLU A 31 -6.727 -12.555 4.323 1.00 0.00 O ATOM 347 OE2 GLU A 31 -8.500 -12.045 5.483 1.00 0.00 O ATOM 0 H GLU A 31 -6.676 -8.296 2.979 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.008 -9.291 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.519 -11.226 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.812 -10.846 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.796 -9.821 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.547 -9.822 4.322 1.00 0.00 H new ATOM 352 N ARG A 32 -9.812 -7.565 2.522 1.00 0.00 N ATOM 353 CA ARG A 32 -11.137 -6.997 2.766 1.00 0.00 C ATOM 354 C ARG A 32 -11.530 -5.972 1.689 1.00 0.00 C ATOM 355 O ARG A 32 -12.720 -5.799 1.408 1.00 0.00 O ATOM 356 CB ARG A 32 -11.184 -6.345 4.160 1.00 0.00 C ATOM 357 CG ARG A 32 -10.638 -7.261 5.271 1.00 0.00 C ATOM 358 CD ARG A 32 -10.783 -6.602 6.641 1.00 0.00 C ATOM 359 NE ARG A 32 -9.992 -7.318 7.656 1.00 0.00 N ATOM 360 CZ ARG A 32 -9.144 -6.790 8.532 1.00 0.00 C ATOM 361 NH1 ARG A 32 -8.830 -5.512 8.529 1.00 0.00 N ATOM 362 NH2 ARG A 32 -8.577 -7.549 9.440 1.00 0.00 N ATOM 0 H ARG A 32 -9.057 -6.945 2.817 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.858 -7.813 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.607 -5.421 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.213 -6.074 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.174 -8.210 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.589 -7.485 5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.456 -5.564 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.833 -6.591 6.934 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.108 -8.331 7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.242 -4.887 7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.174 -5.146 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.787 -8.547 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.926 -7.141 10.111 1.00 0.00 H new ATOM 373 N LEU A 33 -10.540 -5.302 1.079 1.00 0.00 N ATOM 374 CA LEU A 33 -10.704 -4.290 0.020 1.00 0.00 C ATOM 375 C LEU A 33 -11.453 -4.820 -1.212 1.00 0.00 C ATOM 376 O LEU A 33 -11.278 -5.980 -1.596 1.00 0.00 O ATOM 377 CB LEU A 33 -9.321 -3.790 -0.450 1.00 0.00 C ATOM 378 CG LEU A 33 -8.379 -3.266 0.646 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.985 -3.017 0.068 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.894 -1.984 1.303 1.00 0.00 C ATOM 0 H LEU A 33 -9.561 -5.456 1.320 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.294 -3.486 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.820 -4.607 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.474 -2.994 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.335 -4.035 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.326 -2.646 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.585 -3.949 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.049 -2.278 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.190 -1.659 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.995 -1.204 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.865 -2.174 1.760 1.00 0.00 H new ATOM 391 N LYS A 34 -12.190 -3.939 -1.891 1.00 0.00 N ATOM 392 CA LYS A 34 -12.687 -4.151 -3.261 1.00 0.00 C ATOM 393 C LYS A 34 -11.681 -3.602 -4.300 1.00 0.00 C ATOM 394 O LYS A 34 -11.036 -2.582 -4.040 1.00 0.00 O ATOM 395 CB LYS A 34 -14.077 -3.492 -3.388 1.00 0.00 C ATOM 396 CG LYS A 34 -14.874 -4.056 -4.574 1.00 0.00 C ATOM 397 CD LYS A 34 -16.298 -3.486 -4.638 1.00 0.00 C ATOM 398 CE LYS A 34 -17.078 -4.203 -5.744 1.00 0.00 C ATOM 399 NZ LYS A 34 -18.478 -3.730 -5.858 1.00 0.00 N ATOM 0 H LYS A 34 -12.466 -3.038 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.788 -5.217 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.638 -3.648 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.958 -2.415 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.351 -3.828 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.922 -5.142 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.799 -3.618 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.265 -2.415 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.570 -4.053 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.076 -5.275 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.959 -4.248 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.975 -3.897 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.484 -2.713 -6.074 1.00 0.00 H new ATOM 409 N GLY A 35 -11.544 -4.251 -5.465 1.00 0.00 N ATOM 410 CA GLY A 35 -10.698 -3.807 -6.585 1.00 0.00 C ATOM 411 C GLY A 35 -9.234 -4.275 -6.565 1.00 0.00 C ATOM 412 O GLY A 35 -8.458 -3.757 -7.362 1.00 0.00 O ATOM 0 H GLY A 35 -12.032 -5.125 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.153 -4.150 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.708 -2.717 -6.609 1.00 0.00 H new ATOM 416 N VAL A 36 -8.848 -5.224 -5.702 1.00 0.00 N ATOM 417 CA VAL A 36 -7.471 -5.772 -5.597 1.00 0.00 C ATOM 418 C VAL A 36 -7.395 -7.257 -5.997 1.00 0.00 C ATOM 419 O VAL A 36 -8.425 -7.916 -6.174 1.00 0.00 O ATOM 420 CB VAL A 36 -6.860 -5.602 -4.178 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.743 -4.136 -3.741 1.00 0.00 C ATOM 422 CG2 VAL A 36 -7.627 -6.368 -3.091 1.00 0.00 C ATOM 0 H VAL A 36 -9.494 -5.649 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.885 -5.183 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.861 -6.027 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.309 -4.088 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.104 -3.598 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.733 -3.680 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.148 -6.206 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.656 -6.010 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.623 -7.433 -3.324 1.00 0.00 H new ATOM 432 N ALA A 37 -6.172 -7.804 -6.090 1.00 0.00 N ATOM 433 CA ALA A 37 -5.940 -9.253 -6.236 1.00 0.00 C ATOM 434 C ALA A 37 -4.662 -9.819 -5.580 1.00 0.00 C ATOM 435 O ALA A 37 -4.585 -11.043 -5.414 1.00 0.00 O ATOM 436 CB ALA A 37 -5.960 -9.587 -7.732 1.00 0.00 C ATOM 0 H ALA A 37 -5.313 -7.254 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.744 -9.740 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.790 -10.655 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.929 -9.317 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.175 -9.027 -8.240 1.00 0.00 H new ATOM 442 N GLU A 38 -3.678 -8.989 -5.214 1.00 0.00 N ATOM 443 CA GLU A 38 -2.354 -9.418 -4.744 1.00 0.00 C ATOM 444 C GLU A 38 -1.641 -8.223 -4.093 1.00 0.00 C ATOM 445 O GLU A 38 -1.879 -7.090 -4.511 1.00 0.00 O ATOM 446 CB GLU A 38 -1.529 -9.983 -5.923 1.00 0.00 C ATOM 447 CG GLU A 38 -0.388 -10.911 -5.491 1.00 0.00 C ATOM 448 CD GLU A 38 0.498 -11.295 -6.678 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.027 -11.822 -7.687 1.00 0.00 O ATOM 450 OE2 GLU A 38 1.736 -11.093 -6.617 1.00 0.00 O ATOM 0 H GLU A 38 -3.782 -7.975 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.462 -10.210 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.195 -10.528 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.113 -9.153 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.215 -10.418 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.801 -11.812 -5.037 1.00 0.00 H new ATOM 455 N ALA A 39 -0.774 -8.454 -3.101 1.00 0.00 N ATOM 456 CA ALA A 39 0.104 -7.438 -2.503 1.00 0.00 C ATOM 457 C ALA A 39 1.237 -8.068 -1.670 1.00 0.00 C ATOM 458 O ALA A 39 1.182 -9.252 -1.333 1.00 0.00 O ATOM 459 CB ALA A 39 -0.737 -6.473 -1.654 1.00 0.00 C ATOM 0 H ALA A 39 -0.659 -9.376 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 39 0.585 -6.884 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.088 -5.719 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.480 -5.986 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.241 -7.029 -0.863 1.00 0.00 H new ATOM 465 N SER A 40 2.264 -7.294 -1.308 1.00 0.00 N ATOM 466 CA SER A 40 3.429 -7.806 -0.565 1.00 0.00 C ATOM 467 C SER A 40 4.255 -6.704 0.115 1.00 0.00 C ATOM 468 O SER A 40 4.911 -5.907 -0.566 1.00 0.00 O ATOM 469 CB SER A 40 4.327 -8.592 -1.531 1.00 0.00 C ATOM 470 OG SER A 40 5.319 -9.336 -0.849 1.00 0.00 O ATOM 0 H SER A 40 2.316 -6.297 -1.519 1.00 0.00 H new ATOM 0 HA SER A 40 3.046 -8.444 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.714 -9.268 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.806 -7.900 -2.224 1.00 0.00 H new ATOM 0 HG SER A 40 5.868 -9.823 -1.499 1.00 0.00 H new ATOM 475 N VAL A 41 4.259 -6.669 1.453 1.00 0.00 N ATOM 476 CA VAL A 41 5.126 -5.770 2.244 1.00 0.00 C ATOM 477 C VAL A 41 6.597 -6.208 2.229 1.00 0.00 C ATOM 478 O VAL A 41 6.908 -7.402 2.164 1.00 0.00 O ATOM 479 CB VAL A 41 4.657 -5.627 3.717 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.227 -5.066 3.790 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.803 -6.923 4.539 1.00 0.00 C ATOM 0 H VAL A 41 3.660 -7.264 2.025 1.00 0.00 H new ATOM 0 HA VAL A 41 5.041 -4.800 1.755 1.00 0.00 H new ATOM 0 HB VAL A 41 5.331 -4.908 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.924 -4.976 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.197 -4.084 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.545 -5.739 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.456 -6.749 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.206 -7.713 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.850 -7.225 4.559 1.00 0.00 H new ATOM 491 N THR A 42 7.504 -5.235 2.388 1.00 0.00 N ATOM 492 CA THR A 42 8.895 -5.458 2.804 1.00 0.00 C ATOM 493 C THR A 42 9.199 -4.538 3.986 1.00 0.00 C ATOM 494 O THR A 42 9.189 -3.314 3.870 1.00 0.00 O ATOM 495 CB THR A 42 9.865 -5.334 1.619 1.00 0.00 C ATOM 496 OG1 THR A 42 11.187 -5.429 2.104 1.00 0.00 O ATOM 497 CG2 THR A 42 9.726 -4.057 0.792 1.00 0.00 C ATOM 0 H THR A 42 7.287 -4.251 2.228 1.00 0.00 H new ATOM 0 HA THR A 42 9.038 -6.482 3.149 1.00 0.00 H new ATOM 0 HB THR A 42 9.611 -6.148 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.638 -4.565 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.455 -4.067 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.720 -4.001 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.904 -3.190 1.429 1.00 0.00 H new ATOM 505 N VAL A 43 9.425 -5.148 5.149 1.00 0.00 N ATOM 506 CA VAL A 43 9.697 -4.476 6.435 1.00 0.00 C ATOM 507 C VAL A 43 11.183 -4.105 6.530 1.00 0.00 C ATOM 508 O VAL A 43 11.531 -3.097 7.148 1.00 0.00 O ATOM 509 CB VAL A 43 9.319 -5.399 7.622 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.769 -4.864 8.995 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.796 -5.577 7.665 1.00 0.00 C ATOM 0 H VAL A 43 9.425 -6.165 5.233 1.00 0.00 H new ATOM 0 HA VAL A 43 9.092 -3.571 6.484 1.00 0.00 H new ATOM 0 HB VAL A 43 9.840 -6.341 7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.469 -5.564 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.853 -4.753 9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.304 -3.895 9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.529 -6.226 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.320 -4.605 7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.456 -6.027 6.732 1.00 0.00 H new ATOM 521 N ALA A 44 12.052 -4.908 5.897 1.00 0.00 N ATOM 522 CA ALA A 44 13.501 -4.729 5.888 1.00 0.00 C ATOM 523 C ALA A 44 13.907 -3.333 5.384 1.00 0.00 C ATOM 524 O ALA A 44 14.668 -2.635 6.065 1.00 0.00 O ATOM 525 CB ALA A 44 14.107 -5.850 5.030 1.00 0.00 C ATOM 0 H ALA A 44 11.750 -5.723 5.363 1.00 0.00 H new ATOM 0 HA ALA A 44 13.887 -4.793 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.191 -5.743 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.848 -6.818 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.712 -5.786 4.016 1.00 0.00 H new ATOM 531 N THR A 45 13.354 -2.925 4.232 1.00 0.00 N ATOM 532 CA THR A 45 13.556 -1.621 3.576 1.00 0.00 C ATOM 533 C THR A 45 12.456 -0.610 3.908 1.00 0.00 C ATOM 534 O THR A 45 12.745 0.587 3.950 1.00 0.00 O ATOM 535 CB THR A 45 13.634 -1.810 2.055 1.00 0.00 C ATOM 536 OG1 THR A 45 12.507 -2.535 1.624 1.00 0.00 O ATOM 537 CG2 THR A 45 14.886 -2.576 1.631 1.00 0.00 C ATOM 0 H THR A 45 12.721 -3.526 3.704 1.00 0.00 H new ATOM 0 HA THR A 45 14.493 -1.217 3.959 1.00 0.00 H new ATOM 0 HB THR A 45 13.669 -0.819 1.603 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.549 -2.658 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.896 -2.685 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.773 -2.028 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.883 -3.563 2.094 1.00 0.00 H new ATOM 545 N GLY A 46 11.224 -1.070 4.164 1.00 0.00 N ATOM 546 CA GLY A 46 10.051 -0.237 4.464 1.00 0.00 C ATOM 547 C GLY A 46 9.303 0.218 3.218 1.00 0.00 C ATOM 548 O GLY A 46 9.068 1.416 3.069 1.00 0.00 O ATOM 0 H GLY A 46 11.009 -2.067 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.370 -0.797 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.371 0.639 5.028 1.00 0.00 H new ATOM 552 N ARG A 47 8.955 -0.708 2.322 1.00 0.00 N ATOM 553 CA ARG A 47 8.258 -0.430 1.053 1.00 0.00 C ATOM 554 C ARG A 47 7.116 -1.431 0.810 1.00 0.00 C ATOM 555 O ARG A 47 6.966 -2.404 1.555 1.00 0.00 O ATOM 556 CB ARG A 47 9.250 -0.434 -0.125 1.00 0.00 C ATOM 557 CG ARG A 47 10.425 0.551 0.030 1.00 0.00 C ATOM 558 CD ARG A 47 11.177 0.762 -1.294 1.00 0.00 C ATOM 559 NE ARG A 47 11.674 -0.503 -1.856 1.00 0.00 N ATOM 560 CZ ARG A 47 12.913 -0.977 -1.876 1.00 0.00 C ATOM 561 NH1 ARG A 47 13.925 -0.376 -1.285 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.143 -2.097 -2.519 1.00 0.00 N ATOM 0 H ARG A 47 9.153 -1.699 2.457 1.00 0.00 H new ATOM 0 HA ARG A 47 7.816 0.564 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.649 -1.441 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.709 -0.195 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.050 1.509 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.117 0.175 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.515 1.242 -2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.015 1.439 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 47 10.969 -1.098 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.775 0.498 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.858 -0.784 -1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.378 -2.582 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.087 -2.483 -2.550 1.00 0.00 H new ATOM 573 N LEU A 48 6.299 -1.195 -0.220 1.00 0.00 N ATOM 574 CA LEU A 48 5.125 -2.020 -0.530 1.00 0.00 C ATOM 575 C LEU A 48 4.914 -2.171 -2.039 1.00 0.00 C ATOM 576 O LEU A 48 5.206 -1.250 -2.802 1.00 0.00 O ATOM 577 CB LEU A 48 3.881 -1.398 0.150 1.00 0.00 C ATOM 578 CG LEU A 48 3.149 -2.380 1.081 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.118 -1.632 1.925 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.418 -3.497 0.325 1.00 0.00 C ATOM 0 H LEU A 48 6.434 -0.419 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 48 5.289 -3.025 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.187 -0.523 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.190 -1.051 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 48 3.919 -2.836 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.605 -2.336 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.621 -0.875 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.392 -1.151 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.922 -4.155 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.675 -3.059 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.137 -4.071 -0.260 1.00 0.00 H new ATOM 591 N THR A 49 4.351 -3.318 -2.438 1.00 0.00 N ATOM 592 CA THR A 49 3.818 -3.597 -3.782 1.00 0.00 C ATOM 593 C THR A 49 2.362 -4.030 -3.645 1.00 0.00 C ATOM 594 O THR A 49 2.024 -4.749 -2.703 1.00 0.00 O ATOM 595 CB THR A 49 4.630 -4.683 -4.503 1.00 0.00 C ATOM 596 OG1 THR A 49 6.007 -4.395 -4.427 1.00 0.00 O ATOM 597 CG2 THR A 49 4.285 -4.735 -5.992 1.00 0.00 C ATOM 0 H THR A 49 4.249 -4.113 -1.807 1.00 0.00 H new ATOM 0 HA THR A 49 3.890 -2.691 -4.384 1.00 0.00 H new ATOM 0 HB THR A 49 4.390 -5.629 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.514 -5.095 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.876 -5.513 -6.475 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.225 -4.957 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.509 -3.772 -6.451 1.00 0.00 H new ATOM 605 N VAL A 50 1.511 -3.606 -4.575 1.00 0.00 N ATOM 606 CA VAL A 50 0.063 -3.890 -4.605 1.00 0.00 C ATOM 607 C VAL A 50 -0.429 -4.058 -6.052 1.00 0.00 C ATOM 608 O VAL A 50 0.010 -3.325 -6.936 1.00 0.00 O ATOM 609 CB VAL A 50 -0.718 -2.781 -3.850 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.499 -1.378 -4.446 1.00 0.00 C ATOM 611 CG2 VAL A 50 -2.226 -3.059 -3.745 1.00 0.00 C ATOM 0 H VAL A 50 1.814 -3.033 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.124 -4.833 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.298 -2.801 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.071 -0.647 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.560 -1.125 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.831 -1.368 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.709 -2.244 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.652 -3.136 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.387 -3.994 -3.209 1.00 0.00 H new ATOM 621 N THR A 51 -1.341 -5.009 -6.293 1.00 0.00 N ATOM 622 CA THR A 51 -2.005 -5.256 -7.585 1.00 0.00 C ATOM 623 C THR A 51 -3.484 -4.905 -7.476 1.00 0.00 C ATOM 624 O THR A 51 -4.213 -5.526 -6.701 1.00 0.00 O ATOM 625 CB THR A 51 -1.825 -6.718 -8.008 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.448 -6.940 -8.213 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.526 -7.040 -9.335 1.00 0.00 C ATOM 0 H THR A 51 -1.650 -5.654 -5.566 1.00 0.00 H new ATOM 0 HA THR A 51 -1.548 -4.625 -8.348 1.00 0.00 H new ATOM 0 HB THR A 51 -2.254 -7.344 -7.225 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.303 -7.871 -8.484 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.366 -8.088 -9.586 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.595 -6.850 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.116 -6.411 -10.125 1.00 0.00 H new ATOM 635 N TYR A 52 -3.919 -3.936 -8.288 1.00 0.00 N ATOM 636 CA TYR A 52 -5.283 -3.386 -8.287 1.00 0.00 C ATOM 637 C TYR A 52 -5.806 -2.999 -9.682 1.00 0.00 C ATOM 638 O TYR A 52 -5.036 -2.837 -10.629 1.00 0.00 O ATOM 639 CB TYR A 52 -5.374 -2.202 -7.309 1.00 0.00 C ATOM 640 CG TYR A 52 -4.554 -0.960 -7.634 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.014 0.001 -8.559 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.350 -0.727 -6.944 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.300 1.200 -8.757 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.633 0.470 -7.131 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.115 1.449 -8.026 1.00 0.00 C ATOM 646 OH TYR A 52 -2.435 2.618 -8.172 1.00 0.00 O ATOM 0 H TYR A 52 -3.316 -3.499 -8.985 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.939 -4.189 -7.950 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.420 -1.905 -7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.073 -2.556 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.919 -0.183 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.972 -1.475 -6.263 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.658 1.930 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.714 0.639 -6.590 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.797 2.720 -7.435 1.00 0.00 H new ATOM 655 N ASP A 53 -7.128 -2.853 -9.801 1.00 0.00 N ATOM 656 CA ASP A 53 -7.877 -2.528 -11.010 1.00 0.00 C ATOM 657 C ASP A 53 -7.933 -0.998 -11.152 1.00 0.00 C ATOM 658 O ASP A 53 -8.654 -0.353 -10.379 1.00 0.00 O ATOM 659 CB ASP A 53 -9.265 -3.174 -10.846 1.00 0.00 C ATOM 660 CG ASP A 53 -10.253 -2.964 -11.999 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.337 -1.850 -12.566 1.00 0.00 O ATOM 662 OD2 ASP A 53 -11.042 -3.911 -12.239 1.00 0.00 O ATOM 0 H ASP A 53 -7.744 -2.968 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.418 -2.910 -11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.129 -4.246 -10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.717 -2.786 -9.933 1.00 0.00 H new ATOM 666 N PRO A 54 -7.190 -0.397 -12.107 1.00 0.00 N ATOM 667 CA PRO A 54 -7.011 1.052 -12.200 1.00 0.00 C ATOM 668 C PRO A 54 -8.280 1.791 -12.658 1.00 0.00 C ATOM 669 O PRO A 54 -8.237 3.007 -12.854 1.00 0.00 O ATOM 670 CB PRO A 54 -5.838 1.247 -13.168 1.00 0.00 C ATOM 671 CG PRO A 54 -5.964 0.051 -14.107 1.00 0.00 C ATOM 672 CD PRO A 54 -6.434 -1.056 -13.166 1.00 0.00 C ATOM 0 HA PRO A 54 -6.805 1.485 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.912 2.192 -13.706 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.881 1.251 -12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.681 0.236 -14.907 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.014 -0.195 -14.581 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.055 -1.779 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.586 -1.604 -12.756 1.00 0.00 H new ATOM 677 N LYS A 55 -9.403 1.079 -12.819 1.00 0.00 N ATOM 678 CA LYS A 55 -10.701 1.650 -13.208 1.00 0.00 C ATOM 679 C LYS A 55 -11.753 1.469 -12.115 1.00 0.00 C ATOM 680 O LYS A 55 -12.489 2.414 -11.833 1.00 0.00 O ATOM 681 CB LYS A 55 -11.179 1.038 -14.535 1.00 0.00 C ATOM 682 CG LYS A 55 -10.316 1.519 -15.707 1.00 0.00 C ATOM 683 CD LYS A 55 -10.944 1.120 -17.046 1.00 0.00 C ATOM 684 CE LYS A 55 -10.078 1.664 -18.183 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.693 1.402 -19.502 1.00 0.00 N ATOM 0 H LYS A 55 -9.436 0.069 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.563 2.722 -13.347 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.140 -0.049 -14.473 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.220 1.310 -14.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.204 2.602 -15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.316 1.092 -15.628 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.021 0.035 -17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.956 1.517 -17.120 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.936 2.737 -18.053 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.091 1.204 -18.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.082 1.783 -20.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.806 0.377 -19.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.625 1.862 -19.548 1.00 0.00 H new ATOM 695 N GLN A 56 -11.787 0.316 -11.438 1.00 0.00 N ATOM 696 CA GLN A 56 -12.570 0.175 -10.208 1.00 0.00 C ATOM 697 C GLN A 56 -11.999 1.033 -9.074 1.00 0.00 C ATOM 698 O GLN A 56 -12.788 1.551 -8.284 1.00 0.00 O ATOM 699 CB GLN A 56 -12.644 -1.283 -9.730 1.00 0.00 C ATOM 700 CG GLN A 56 -13.608 -2.156 -10.541 1.00 0.00 C ATOM 701 CD GLN A 56 -13.782 -3.517 -9.874 1.00 0.00 C ATOM 702 OE1 GLN A 56 -14.662 -3.726 -9.047 1.00 0.00 O ATOM 703 NE2 GLN A 56 -12.910 -4.458 -10.156 1.00 0.00 N ATOM 0 H GLN A 56 -11.285 -0.526 -11.719 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.575 0.518 -10.455 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.647 -1.721 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.950 -1.297 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.575 -1.659 -10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.226 -2.286 -11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.177 -4.285 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.966 -5.362 -9.687 1.00 0.00 H new ATOM 710 N VAL A 57 -10.671 1.188 -8.985 1.00 0.00 N ATOM 711 CA VAL A 57 -9.972 1.886 -7.890 1.00 0.00 C ATOM 712 C VAL A 57 -8.698 2.593 -8.390 1.00 0.00 C ATOM 713 O VAL A 57 -8.404 2.595 -9.585 1.00 0.00 O ATOM 714 CB VAL A 57 -9.648 0.929 -6.711 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.909 0.372 -6.030 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.739 -0.245 -7.107 1.00 0.00 C ATOM 0 H VAL A 57 -10.033 0.822 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.653 2.651 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.109 1.558 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.619 -0.290 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.503 1.196 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.499 -0.185 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.554 -0.872 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.226 -0.836 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.792 0.140 -7.485 1.00 0.00 H new ATOM 726 N SER A 58 -7.928 3.192 -7.479 1.00 0.00 N ATOM 727 CA SER A 58 -6.667 3.888 -7.769 1.00 0.00 C ATOM 728 C SER A 58 -5.686 3.762 -6.585 1.00 0.00 C ATOM 729 O SER A 58 -5.944 3.007 -5.642 1.00 0.00 O ATOM 730 CB SER A 58 -6.982 5.364 -8.082 1.00 0.00 C ATOM 731 OG SER A 58 -7.340 6.072 -6.905 1.00 0.00 O ATOM 0 H SER A 58 -8.170 3.208 -6.488 1.00 0.00 H new ATOM 0 HA SER A 58 -6.183 3.432 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.113 5.834 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.796 5.420 -8.805 1.00 0.00 H new ATOM 0 HG SER A 58 -7.533 7.006 -7.131 1.00 0.00 H new ATOM 736 N GLU A 59 -4.613 4.570 -6.561 1.00 0.00 N ATOM 737 CA GLU A 59 -3.780 4.791 -5.367 1.00 0.00 C ATOM 738 C GLU A 59 -4.609 5.119 -4.098 1.00 0.00 C ATOM 739 O GLU A 59 -4.157 4.860 -2.986 1.00 0.00 O ATOM 740 CB GLU A 59 -2.672 5.836 -5.638 1.00 0.00 C ATOM 741 CG GLU A 59 -3.145 7.233 -6.074 1.00 0.00 C ATOM 742 CD GLU A 59 -1.987 8.237 -6.183 1.00 0.00 C ATOM 743 OE1 GLU A 59 -1.067 8.062 -7.021 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.007 9.265 -5.466 1.00 0.00 O ATOM 0 H GLU A 59 -4.296 5.093 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.286 3.843 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.075 5.944 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.011 5.442 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.649 7.158 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.878 7.605 -5.358 1.00 0.00 H new ATOM 749 N ILE A 60 -5.861 5.582 -4.218 1.00 0.00 N ATOM 750 CA ILE A 60 -6.808 5.758 -3.097 1.00 0.00 C ATOM 751 C ILE A 60 -7.132 4.453 -2.331 1.00 0.00 C ATOM 752 O ILE A 60 -7.438 4.516 -1.135 1.00 0.00 O ATOM 753 CB ILE A 60 -8.068 6.489 -3.631 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.764 7.943 -4.078 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.242 6.470 -2.642 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.193 8.871 -2.998 1.00 0.00 C ATOM 0 H ILE A 60 -6.258 5.853 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.331 6.374 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.373 5.920 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.059 7.907 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.684 8.385 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.092 6.998 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.524 5.438 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.945 6.961 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.020 9.860 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.902 8.949 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.251 8.464 -2.629 1.00 0.00 H new ATOM 767 N THR A 61 -6.998 3.264 -2.936 1.00 0.00 N ATOM 768 CA THR A 61 -7.145 1.951 -2.252 1.00 0.00 C ATOM 769 C THR A 61 -5.880 1.530 -1.483 1.00 0.00 C ATOM 770 O THR A 61 -5.851 0.495 -0.813 1.00 0.00 O ATOM 771 CB THR A 61 -7.668 0.923 -3.265 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.020 1.272 -3.472 1.00 0.00 O ATOM 773 CG2 THR A 61 -7.718 -0.540 -2.827 1.00 0.00 C ATOM 0 H THR A 61 -6.781 3.176 -3.929 1.00 0.00 H new ATOM 0 HA THR A 61 -7.888 2.029 -1.458 1.00 0.00 H new ATOM 0 HB THR A 61 -6.981 0.966 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.582 0.476 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.107 -1.151 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.714 -0.877 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.368 -0.638 -1.958 1.00 0.00 H new ATOM 781 N ILE A 62 -4.835 2.358 -1.497 1.00 0.00 N ATOM 782 CA ILE A 62 -3.664 2.206 -0.612 1.00 0.00 C ATOM 783 C ILE A 62 -3.280 3.477 0.169 1.00 0.00 C ATOM 784 O ILE A 62 -2.681 3.364 1.234 1.00 0.00 O ATOM 785 CB ILE A 62 -2.532 1.532 -1.421 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.348 1.159 -0.508 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.072 2.352 -2.640 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.448 0.073 -1.100 1.00 0.00 C ATOM 0 H ILE A 62 -4.770 3.160 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.917 1.544 0.216 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.955 0.614 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.751 2.051 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.732 0.819 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.276 1.817 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.913 2.499 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.701 3.321 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.366 -0.143 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.032 -0.832 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.036 0.419 -2.048 1.00 0.00 H new ATOM 799 N GLN A 63 -3.680 4.668 -0.275 1.00 0.00 N ATOM 800 CA GLN A 63 -3.405 5.941 0.394 1.00 0.00 C ATOM 801 C GLN A 63 -4.060 6.059 1.774 1.00 0.00 C ATOM 802 O GLN A 63 -3.359 6.324 2.745 1.00 0.00 O ATOM 803 CB GLN A 63 -3.860 7.090 -0.522 1.00 0.00 C ATOM 804 CG GLN A 63 -3.510 8.472 0.052 1.00 0.00 C ATOM 805 CD GLN A 63 -3.722 9.567 -0.984 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.980 9.670 -1.955 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.737 10.401 -0.869 1.00 0.00 N ATOM 0 H GLN A 63 -4.219 4.778 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.331 5.995 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.393 6.977 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.937 7.025 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.127 8.672 0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.472 8.478 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.366 10.332 -0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.893 11.115 -1.580 1.00 0.00 H new ATOM 814 N GLU A 64 -5.380 5.882 1.879 1.00 0.00 N ATOM 815 CA GLU A 64 -6.127 6.096 3.128 1.00 0.00 C ATOM 816 C GLU A 64 -5.658 5.105 4.206 1.00 0.00 C ATOM 817 O GLU A 64 -5.372 5.488 5.341 1.00 0.00 O ATOM 818 CB GLU A 64 -7.645 5.952 2.883 1.00 0.00 C ATOM 819 CG GLU A 64 -8.179 6.805 1.718 1.00 0.00 C ATOM 820 CD GLU A 64 -9.693 6.660 1.568 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.189 5.521 1.386 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.426 7.671 1.676 1.00 0.00 O ATOM 0 H GLU A 64 -5.966 5.585 1.099 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.932 7.109 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.872 4.904 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.177 6.227 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.927 7.852 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.690 6.505 0.791 1.00 0.00 H new ATOM 827 N ARG A 65 -5.472 3.846 3.795 1.00 0.00 N ATOM 828 CA ARG A 65 -4.933 2.722 4.565 1.00 0.00 C ATOM 829 C ARG A 65 -3.483 2.910 5.038 1.00 0.00 C ATOM 830 O ARG A 65 -3.005 2.139 5.865 1.00 0.00 O ATOM 831 CB ARG A 65 -5.105 1.500 3.655 1.00 0.00 C ATOM 832 CG ARG A 65 -4.654 0.154 4.235 1.00 0.00 C ATOM 833 CD ARG A 65 -5.239 -1.002 3.421 1.00 0.00 C ATOM 834 NE ARG A 65 -4.929 -0.903 1.982 1.00 0.00 N ATOM 835 CZ ARG A 65 -3.982 -1.562 1.325 1.00 0.00 C ATOM 836 NH1 ARG A 65 -3.135 -2.387 1.899 1.00 0.00 N ATOM 837 NH2 ARG A 65 -3.885 -1.415 0.025 1.00 0.00 N ATOM 0 H ARG A 65 -5.713 3.566 2.844 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.471 2.615 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.158 1.421 3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.551 1.679 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.566 0.096 4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.973 0.073 5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.852 -1.945 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.321 -1.023 3.554 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.502 -0.261 1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.184 -2.550 2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.429 -2.864 1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.532 -0.800 -0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.162 -1.915 -0.492 1.00 0.00 H new ATOM 848 N ILE A 66 -2.775 3.931 4.555 1.00 0.00 N ATOM 849 CA ILE A 66 -1.453 4.346 5.058 1.00 0.00 C ATOM 850 C ILE A 66 -1.577 5.650 5.865 1.00 0.00 C ATOM 851 O ILE A 66 -1.033 5.749 6.965 1.00 0.00 O ATOM 852 CB ILE A 66 -0.483 4.427 3.851 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.198 2.996 3.324 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.850 5.100 4.211 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.565 2.956 1.997 1.00 0.00 C ATOM 0 H ILE A 66 -3.108 4.510 3.784 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.039 3.619 5.757 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.966 5.036 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.374 2.451 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.145 2.471 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.492 5.131 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.662 6.116 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.343 4.532 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.723 1.919 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.013 3.470 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.529 3.450 2.117 1.00 0.00 H new ATOM 866 N ALA A 67 -2.343 6.623 5.364 1.00 0.00 N ATOM 867 CA ALA A 67 -2.483 7.957 5.946 1.00 0.00 C ATOM 868 C ALA A 67 -3.233 7.970 7.292 1.00 0.00 C ATOM 869 O ALA A 67 -2.861 8.735 8.188 1.00 0.00 O ATOM 870 CB ALA A 67 -3.177 8.852 4.910 1.00 0.00 C ATOM 0 H ALA A 67 -2.898 6.499 4.517 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.488 8.336 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.295 9.856 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.572 8.897 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.157 8.440 4.671 1.00 0.00 H new ATOM 876 N ALA A 68 -4.264 7.128 7.449 1.00 0.00 N ATOM 877 CA ALA A 68 -5.023 6.960 8.694 1.00 0.00 C ATOM 878 C ALA A 68 -4.340 6.011 9.697 1.00 0.00 C ATOM 879 O ALA A 68 -4.583 6.109 10.900 1.00 0.00 O ATOM 880 CB ALA A 68 -6.429 6.462 8.333 1.00 0.00 C ATOM 0 H ALA A 68 -4.601 6.530 6.694 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.075 7.925 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.013 6.329 9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.920 7.193 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.354 5.510 7.808 1.00 0.00 H new ATOM 886 N LEU A 69 -3.470 5.112 9.219 1.00 0.00 N ATOM 887 CA LEU A 69 -2.686 4.186 10.051 1.00 0.00 C ATOM 888 C LEU A 69 -1.451 4.847 10.701 1.00 0.00 C ATOM 889 O LEU A 69 -0.827 4.224 11.563 1.00 0.00 O ATOM 890 CB LEU A 69 -2.336 2.942 9.205 1.00 0.00 C ATOM 891 CG LEU A 69 -3.428 1.844 9.157 1.00 0.00 C ATOM 892 CD1 LEU A 69 -3.575 1.144 10.517 1.00 0.00 C ATOM 893 CD2 LEU A 69 -4.807 2.343 8.695 1.00 0.00 C ATOM 0 H LEU A 69 -3.287 5.005 8.221 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.293 3.876 10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.124 3.264 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.419 2.502 9.598 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.076 1.138 8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.349 0.379 10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.628 0.679 10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.853 1.876 11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.512 1.512 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.162 3.115 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.726 2.756 7.690 1.00 0.00 H new ATOM 904 N GLY A 70 -1.136 6.103 10.345 1.00 0.00 N ATOM 905 CA GLY A 70 -0.128 6.956 11.002 1.00 0.00 C ATOM 906 C GLY A 70 1.138 7.230 10.184 1.00 0.00 C ATOM 907 O GLY A 70 2.125 7.715 10.738 1.00 0.00 O ATOM 0 H GLY A 70 -1.593 6.571 9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.592 7.910 11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.162 6.487 11.942 1.00 0.00 H new ATOM 911 N TYR A 71 1.116 6.923 8.885 1.00 0.00 N ATOM 912 CA TYR A 71 2.261 6.972 7.961 1.00 0.00 C ATOM 913 C TYR A 71 1.968 7.888 6.751 1.00 0.00 C ATOM 914 O TYR A 71 0.919 8.543 6.716 1.00 0.00 O ATOM 915 CB TYR A 71 2.533 5.521 7.525 1.00 0.00 C ATOM 916 CG TYR A 71 2.640 4.540 8.680 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.655 4.671 9.649 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.641 3.561 8.841 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.647 3.858 10.799 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.633 2.742 9.983 1.00 0.00 C ATOM 921 CZ TYR A 71 2.615 2.911 10.982 1.00 0.00 C ATOM 922 OH TYR A 71 2.531 2.203 12.142 1.00 0.00 O ATOM 0 H TYR A 71 0.260 6.618 8.422 1.00 0.00 H new ATOM 0 HA TYR A 71 3.139 7.397 8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.734 5.197 6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.459 5.492 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.442 5.397 9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.879 3.439 8.085 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.428 3.958 11.539 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.874 1.982 10.096 1.00 0.00 H new ATOM 0 HH TYR A 71 1.762 1.597 12.100 1.00 0.00 H new ATOM 931 N THR A 72 2.851 7.939 5.740 1.00 0.00 N ATOM 932 CA THR A 72 2.597 8.656 4.465 1.00 0.00 C ATOM 933 C THR A 72 3.046 7.847 3.256 1.00 0.00 C ATOM 934 O THR A 72 4.070 7.174 3.307 1.00 0.00 O ATOM 935 CB THR A 72 3.255 10.043 4.417 1.00 0.00 C ATOM 936 OG1 THR A 72 4.621 9.948 4.748 1.00 0.00 O ATOM 937 CG2 THR A 72 2.582 11.033 5.365 1.00 0.00 C ATOM 0 H THR A 72 3.764 7.486 5.777 1.00 0.00 H new ATOM 0 HA THR A 72 1.516 8.790 4.425 1.00 0.00 H new ATOM 0 HB THR A 72 3.140 10.413 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.029 10.838 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.081 11.999 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.534 11.146 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.650 10.661 6.387 1.00 0.00 H new ATOM 945 N LEU A 73 2.280 7.935 2.168 1.00 0.00 N ATOM 946 CA LEU A 73 2.516 7.268 0.883 1.00 0.00 C ATOM 947 C LEU A 73 3.405 8.125 -0.037 1.00 0.00 C ATOM 948 O LEU A 73 3.225 9.345 -0.129 1.00 0.00 O ATOM 949 CB LEU A 73 1.129 6.986 0.253 1.00 0.00 C ATOM 950 CG LEU A 73 1.116 6.503 -1.212 1.00 0.00 C ATOM 951 CD1 LEU A 73 1.784 5.133 -1.357 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.326 6.402 -1.729 1.00 0.00 C ATOM 0 H LEU A 73 1.433 8.503 2.157 1.00 0.00 H new ATOM 0 HA LEU A 73 3.056 6.332 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.625 6.236 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.536 7.898 0.315 1.00 0.00 H new ATOM 0 HG LEU A 73 1.674 7.234 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.757 4.824 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.820 5.196 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.251 4.402 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.318 6.060 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.883 5.693 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.802 7.381 -1.674 1.00 0.00 H new ATOM 963 N ALA A 74 4.310 7.474 -0.774 1.00 0.00 N ATOM 964 CA ALA A 74 5.078 8.055 -1.875 1.00 0.00 C ATOM 965 C ALA A 74 5.082 7.128 -3.109 1.00 0.00 C ATOM 966 O ALA A 74 5.767 6.102 -3.122 1.00 0.00 O ATOM 967 CB ALA A 74 6.502 8.313 -1.370 1.00 0.00 C ATOM 0 H ALA A 74 4.535 6.492 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 74 4.619 8.991 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.099 8.747 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.470 9.003 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.951 7.372 -1.052 1.00 0.00 H new ATOM 973 N GLU A 75 4.336 7.506 -4.151 1.00 0.00 N ATOM 974 CA GLU A 75 4.320 6.841 -5.462 1.00 0.00 C ATOM 975 C GLU A 75 4.710 7.879 -6.545 1.00 0.00 C ATOM 976 O GLU A 75 3.822 8.547 -7.080 1.00 0.00 O ATOM 977 CB GLU A 75 2.927 6.197 -5.682 1.00 0.00 C ATOM 978 CG GLU A 75 2.904 5.043 -6.697 1.00 0.00 C ATOM 979 CD GLU A 75 3.211 5.469 -8.131 1.00 0.00 C ATOM 980 OE1 GLU A 75 2.325 6.059 -8.797 1.00 0.00 O ATOM 981 OE2 GLU A 75 4.327 5.172 -8.617 1.00 0.00 O ATOM 0 H GLU A 75 3.707 8.307 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 75 5.048 6.032 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.558 5.828 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.234 6.969 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.629 4.289 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.922 4.570 -6.672 1.00 0.00 H new ATOM 986 N PRO A 76 6.015 8.080 -6.835 1.00 0.00 N ATOM 987 CA PRO A 76 6.524 9.127 -7.737 1.00 0.00 C ATOM 988 C PRO A 76 6.413 8.795 -9.229 1.00 0.00 C ATOM 989 O PRO A 76 5.952 9.669 -9.997 1.00 0.00 O ATOM 990 CB PRO A 76 7.991 9.327 -7.336 1.00 0.00 C ATOM 991 CG PRO A 76 8.407 7.959 -6.810 1.00 0.00 C ATOM 992 CD PRO A 76 7.131 7.467 -6.127 1.00 0.00 C ATOM 0 HA PRO A 76 5.917 10.026 -7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.601 9.632 -8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.097 10.099 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.720 7.293 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.241 8.029 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.065 6.380 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.123 7.748 -5.074 1.00 0.00 H new