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 -113:sc= 0.649 USER MOD Set 1.2: A 71 TYR OH : rot -83:sc= 0.545 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00288 USER MOD Single : A 10 GLN : amide:sc= 0.601 K(o=0.6,f=-0.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 178:sc= -0.0351 (180deg=-0.0367) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 17 MET CE :methyl 161:sc= -0.0322 (180deg=-0.927) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00181 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 180:sc=0.000621 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 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 61 THR OG1 : rot -160:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.881 -5.072 -14.532 1.00 0.00 N ATOM 14 CA LEU A 7 -4.957 -4.924 -13.407 1.00 0.00 C ATOM 15 C LEU A 7 -3.480 -5.013 -13.813 1.00 0.00 C ATOM 16 O LEU A 7 -3.138 -5.469 -14.906 1.00 0.00 O ATOM 17 CB LEU A 7 -5.354 -5.917 -12.290 1.00 0.00 C ATOM 18 CG LEU A 7 -5.416 -7.418 -12.660 1.00 0.00 C ATOM 19 CD1 LEU A 7 -4.045 -8.069 -12.892 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.130 -8.180 -11.535 1.00 0.00 C ATOM 0 HA LEU A 7 -5.051 -3.912 -13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.646 -5.801 -11.469 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.333 -5.623 -11.910 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.955 -7.475 -13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.180 -9.120 -13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.534 -7.560 -13.710 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.446 -7.989 -11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.179 -9.239 -11.787 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.579 -8.054 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.140 -7.789 -11.415 1.00 0.00 H new ATOM 31 N LYS A 8 -2.604 -4.571 -12.909 1.00 0.00 N ATOM 32 CA LYS A 8 -1.151 -4.484 -13.114 1.00 0.00 C ATOM 33 C LYS A 8 -0.397 -4.173 -11.807 1.00 0.00 C ATOM 34 O LYS A 8 -0.960 -3.531 -10.911 1.00 0.00 O ATOM 35 CB LYS A 8 -0.819 -3.475 -14.237 1.00 0.00 C ATOM 36 CG LYS A 8 -1.520 -2.112 -14.079 1.00 0.00 C ATOM 37 CD LYS A 8 -1.066 -1.115 -15.150 1.00 0.00 C ATOM 38 CE LYS A 8 -2.004 0.098 -15.134 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.557 1.161 -16.061 1.00 0.00 N ATOM 0 H LYS A 8 -2.892 -4.253 -11.984 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.801 -5.465 -13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.259 -3.317 -14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.101 -3.908 -15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.600 -2.248 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.308 -1.706 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.040 -0.800 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.078 -1.587 -16.133 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.011 -0.219 -15.406 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.059 0.500 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.220 1.961 -16.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.607 1.483 -15.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.529 0.787 -17.031 1.00 0.00 H new ATOM 49 N THR A 9 0.865 -4.615 -11.696 1.00 0.00 N ATOM 50 CA THR A 9 1.716 -4.389 -10.509 1.00 0.00 C ATOM 51 C THR A 9 2.463 -3.050 -10.551 1.00 0.00 C ATOM 52 O THR A 9 2.640 -2.451 -11.619 1.00 0.00 O ATOM 53 CB THR A 9 2.632 -5.591 -10.236 1.00 0.00 C ATOM 54 OG1 THR A 9 3.113 -5.467 -8.919 1.00 0.00 O ATOM 55 CG2 THR A 9 3.825 -5.685 -11.186 1.00 0.00 C ATOM 0 H THR A 9 1.331 -5.145 -12.432 1.00 0.00 H new ATOM 0 HA THR A 9 1.049 -4.307 -9.651 1.00 0.00 H new ATOM 0 HB THR A 9 2.044 -6.496 -10.388 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.702 -6.223 -8.713 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.425 -6.558 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.467 -5.777 -12.211 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.435 -4.786 -11.094 1.00 0.00 H new ATOM 63 N GLN A 10 2.910 -2.586 -9.383 1.00 0.00 N ATOM 64 CA GLN A 10 3.535 -1.288 -9.138 1.00 0.00 C ATOM 65 C GLN A 10 4.192 -1.310 -7.752 1.00 0.00 C ATOM 66 O GLN A 10 3.606 -1.861 -6.814 1.00 0.00 O ATOM 67 CB GLN A 10 2.449 -0.190 -9.201 1.00 0.00 C ATOM 68 CG GLN A 10 2.969 1.250 -9.058 1.00 0.00 C ATOM 69 CD GLN A 10 4.035 1.609 -10.091 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.887 1.381 -11.291 1.00 0.00 O ATOM 71 NE2 GLN A 10 5.163 2.132 -9.670 1.00 0.00 N ATOM 0 H GLN A 10 2.840 -3.142 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 10 4.295 -1.080 -9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.921 -0.277 -10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.720 -0.376 -8.413 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.133 1.943 -9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.382 1.383 -8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.296 2.325 -8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.906 2.345 -10.335 1.00 0.00 H new ATOM 78 N GLN A 11 5.368 -0.687 -7.600 1.00 0.00 N ATOM 79 CA GLN A 11 5.965 -0.396 -6.288 1.00 0.00 C ATOM 80 C GLN A 11 5.924 1.106 -5.956 1.00 0.00 C ATOM 81 O GLN A 11 5.799 1.954 -6.846 1.00 0.00 O ATOM 82 CB GLN A 11 7.373 -1.019 -6.157 1.00 0.00 C ATOM 83 CG GLN A 11 8.481 -0.298 -6.940 1.00 0.00 C ATOM 84 CD GLN A 11 9.830 -1.011 -6.830 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.691 -0.679 -6.026 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.063 -2.046 -7.604 1.00 0.00 N ATOM 0 H GLN A 11 5.935 -0.369 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 11 5.350 -0.878 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.648 -1.038 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.328 -2.055 -6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.194 -0.228 -7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.580 0.722 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.362 -2.343 -8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.945 -2.552 -7.527 1.00 0.00 H new ATOM 93 N MET A 12 6.029 1.434 -4.665 1.00 0.00 N ATOM 94 CA MET A 12 5.917 2.790 -4.104 1.00 0.00 C ATOM 95 C MET A 12 6.871 2.993 -2.922 1.00 0.00 C ATOM 96 O MET A 12 7.322 2.021 -2.306 1.00 0.00 O ATOM 97 CB MET A 12 4.465 3.066 -3.677 1.00 0.00 C ATOM 98 CG MET A 12 4.013 2.204 -2.486 1.00 0.00 C ATOM 99 SD MET A 12 2.218 2.170 -2.229 1.00 0.00 S ATOM 100 CE MET A 12 1.961 3.869 -1.670 1.00 0.00 C ATOM 0 H MET A 12 6.202 0.731 -3.946 1.00 0.00 H new ATOM 0 HA MET A 12 6.202 3.499 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.363 4.119 -3.415 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.803 2.883 -4.523 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.366 1.184 -2.636 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.491 2.577 -1.580 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.898 4.038 -1.498 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.510 4.034 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.320 4.561 -2.432 1.00 0.00 H new ATOM 108 N GLN A 13 7.158 4.249 -2.591 1.00 0.00 N ATOM 109 CA GLN A 13 7.962 4.629 -1.432 1.00 0.00 C ATOM 110 C GLN A 13 7.018 4.978 -0.269 1.00 0.00 C ATOM 111 O GLN A 13 5.892 5.425 -0.497 1.00 0.00 O ATOM 112 CB GLN A 13 8.881 5.816 -1.784 1.00 0.00 C ATOM 113 CG GLN A 13 9.592 5.732 -3.150 1.00 0.00 C ATOM 114 CD GLN A 13 10.507 4.523 -3.339 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.117 3.498 -3.889 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.755 4.600 -2.929 1.00 0.00 N ATOM 0 H GLN A 13 6.831 5.049 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 13 8.602 3.799 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.288 6.730 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.639 5.907 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.835 5.720 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.182 6.638 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.090 5.447 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.388 3.812 -3.070 1.00 0.00 H new ATOM 123 N VAL A 14 7.456 4.776 0.975 1.00 0.00 N ATOM 124 CA VAL A 14 6.615 4.853 2.182 1.00 0.00 C ATOM 125 C VAL A 14 7.458 5.294 3.387 1.00 0.00 C ATOM 126 O VAL A 14 8.631 4.942 3.494 1.00 0.00 O ATOM 127 CB VAL A 14 5.839 3.521 2.406 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.461 3.243 3.870 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.536 3.471 1.588 1.00 0.00 C ATOM 0 H VAL A 14 8.429 4.548 1.181 1.00 0.00 H new ATOM 0 HA VAL A 14 5.849 5.617 2.047 1.00 0.00 H new ATOM 0 HB VAL A 14 6.545 2.759 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.924 2.297 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.366 3.188 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.825 4.047 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.026 2.526 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.889 4.297 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.769 3.555 0.527 1.00 0.00 H new ATOM 139 N GLY A 15 6.864 6.098 4.277 1.00 0.00 N ATOM 140 CA GLY A 15 7.526 6.678 5.451 1.00 0.00 C ATOM 141 C GLY A 15 6.885 6.239 6.766 1.00 0.00 C ATOM 142 O GLY A 15 5.759 6.642 7.069 1.00 0.00 O ATOM 0 H GLY A 15 5.884 6.370 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.577 6.389 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.494 7.765 5.381 1.00 0.00 H new ATOM 146 N GLY A 16 7.635 5.477 7.570 1.00 0.00 N ATOM 147 CA GLY A 16 7.277 5.062 8.934 1.00 0.00 C ATOM 148 C GLY A 16 6.892 3.589 9.113 1.00 0.00 C ATOM 149 O GLY A 16 6.487 3.226 10.218 1.00 0.00 O ATOM 0 H GLY A 16 8.544 5.118 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.120 5.278 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.444 5.678 9.272 1.00 0.00 H new ATOM 153 N MET A 17 6.995 2.730 8.089 1.00 0.00 N ATOM 154 CA MET A 17 6.680 1.297 8.212 1.00 0.00 C ATOM 155 C MET A 17 7.879 0.426 8.623 1.00 0.00 C ATOM 156 O MET A 17 9.032 0.671 8.248 1.00 0.00 O ATOM 157 CB MET A 17 6.031 0.760 6.926 1.00 0.00 C ATOM 158 CG MET A 17 4.570 1.220 6.790 1.00 0.00 C ATOM 159 SD MET A 17 3.428 -0.087 6.263 1.00 0.00 S ATOM 160 CE MET A 17 3.967 -0.359 4.556 1.00 0.00 C ATOM 0 H MET A 17 7.298 3.006 7.155 1.00 0.00 H new ATOM 0 HA MET A 17 5.964 1.225 9.030 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.601 1.100 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.071 -0.329 6.926 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.234 1.616 7.748 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.524 2.039 6.073 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.611 -1.330 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.559 0.424 3.917 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.056 -0.335 4.510 1.00 0.00 H new ATOM 219 N CYS A 22 3.197 -2.474 11.322 1.00 0.00 N ATOM 220 CA CYS A 22 2.872 -1.788 10.060 1.00 0.00 C ATOM 221 C CYS A 22 2.736 -2.755 8.871 1.00 0.00 C ATOM 222 O CYS A 22 1.706 -2.787 8.193 1.00 0.00 O ATOM 223 CB CYS A 22 3.928 -0.701 9.762 1.00 0.00 C ATOM 224 SG CYS A 22 4.722 0.007 11.240 1.00 0.00 S ATOM 0 HA CYS A 22 1.896 -1.321 10.190 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.699 -1.128 9.120 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.454 0.103 9.199 1.00 0.00 H new ATOM 0 HG CYS A 22 4.375 1.254 11.364 1.00 0.00 H new ATOM 229 N ALA A 23 3.762 -3.589 8.682 1.00 0.00 N ATOM 230 CA ALA A 23 3.825 -4.697 7.734 1.00 0.00 C ATOM 231 C ALA A 23 2.715 -5.750 7.908 1.00 0.00 C ATOM 232 O ALA A 23 2.501 -6.554 7.000 1.00 0.00 O ATOM 233 CB ALA A 23 5.214 -5.322 7.915 1.00 0.00 C ATOM 0 H ALA A 23 4.623 -3.500 9.222 1.00 0.00 H new ATOM 0 HA ALA A 23 3.663 -4.317 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.327 -6.163 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.979 -4.576 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.324 -5.673 8.941 1.00 0.00 H new ATOM 239 N SER A 24 2.004 -5.752 9.037 1.00 0.00 N ATOM 240 CA SER A 24 0.803 -6.568 9.236 1.00 0.00 C ATOM 241 C SER A 24 -0.460 -5.755 8.931 1.00 0.00 C ATOM 242 O SER A 24 -1.233 -6.158 8.069 1.00 0.00 O ATOM 243 CB SER A 24 0.746 -7.138 10.660 1.00 0.00 C ATOM 244 OG SER A 24 1.900 -7.906 10.955 1.00 0.00 O ATOM 0 H SER A 24 2.247 -5.182 9.847 1.00 0.00 H new ATOM 0 HA SER A 24 0.852 -7.407 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.657 -6.322 11.377 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.144 -7.758 10.770 1.00 0.00 H new ATOM 0 HG SER A 24 1.836 -8.254 11.869 1.00 0.00 H new ATOM 249 N SER A 25 -0.678 -4.593 9.560 1.00 0.00 N ATOM 250 CA SER A 25 -1.939 -3.836 9.455 1.00 0.00 C ATOM 251 C SER A 25 -2.310 -3.481 8.008 1.00 0.00 C ATOM 252 O SER A 25 -3.451 -3.683 7.591 1.00 0.00 O ATOM 253 CB SER A 25 -1.885 -2.544 10.291 1.00 0.00 C ATOM 254 OG SER A 25 -1.239 -2.713 11.543 1.00 0.00 O ATOM 0 H SER A 25 0.016 -4.147 10.159 1.00 0.00 H new ATOM 0 HA SER A 25 -2.711 -4.499 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.365 -1.773 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.901 -2.185 10.459 1.00 0.00 H new ATOM 0 HG SER A 25 -1.234 -1.860 12.026 1.00 0.00 H new ATOM 259 N ILE A 26 -1.336 -3.026 7.207 1.00 0.00 N ATOM 260 CA ILE A 26 -1.546 -2.675 5.789 1.00 0.00 C ATOM 261 C ILE A 26 -2.075 -3.869 4.972 1.00 0.00 C ATOM 262 O ILE A 26 -2.863 -3.666 4.042 1.00 0.00 O ATOM 263 CB ILE A 26 -0.234 -2.066 5.212 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.184 -0.526 5.354 1.00 0.00 C ATOM 265 CG2 ILE A 26 0.016 -2.390 3.726 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.174 -0.003 6.795 1.00 0.00 C ATOM 0 H ILE A 26 -0.376 -2.889 7.522 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.327 -1.918 5.716 1.00 0.00 H new ATOM 0 HB ILE A 26 0.543 -2.538 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.707 -0.159 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.044 -0.101 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.950 -1.928 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.082 -3.470 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.806 -2.001 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.138 1.086 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.078 -0.332 7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.701 -0.391 7.317 1.00 0.00 H new ATOM 277 N GLU A 27 -1.666 -5.095 5.318 1.00 0.00 N ATOM 278 CA GLU A 27 -2.020 -6.331 4.609 1.00 0.00 C ATOM 279 C GLU A 27 -3.202 -7.085 5.261 1.00 0.00 C ATOM 280 O GLU A 27 -3.954 -7.769 4.566 1.00 0.00 O ATOM 281 CB GLU A 27 -0.785 -7.242 4.494 1.00 0.00 C ATOM 282 CG GLU A 27 0.262 -6.666 3.517 1.00 0.00 C ATOM 283 CD GLU A 27 1.262 -7.717 3.031 1.00 0.00 C ATOM 284 OE1 GLU A 27 0.829 -8.835 2.676 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.486 -7.443 2.977 1.00 0.00 O ATOM 0 H GLU A 27 -1.062 -5.260 6.123 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.355 -6.045 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.333 -7.368 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.093 -8.231 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.250 -6.233 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.803 -5.856 4.007 1.00 0.00 H new ATOM 290 N ARG A 28 -3.441 -6.917 6.565 1.00 0.00 N ATOM 291 CA ARG A 28 -4.652 -7.387 7.251 1.00 0.00 C ATOM 292 C ARG A 28 -5.882 -6.603 6.768 1.00 0.00 C ATOM 293 O ARG A 28 -6.936 -7.194 6.514 1.00 0.00 O ATOM 294 CB ARG A 28 -4.431 -7.276 8.770 1.00 0.00 C ATOM 295 CG ARG A 28 -5.596 -7.847 9.595 1.00 0.00 C ATOM 296 CD ARG A 28 -5.185 -7.988 11.069 1.00 0.00 C ATOM 297 NE ARG A 28 -6.276 -8.503 11.913 1.00 0.00 N ATOM 298 CZ ARG A 28 -6.658 -9.769 12.048 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.117 -10.749 11.362 1.00 0.00 N ATOM 300 NH2 ARG A 28 -7.608 -10.096 12.893 1.00 0.00 N ATOM 0 H ARG A 28 -2.787 -6.442 7.187 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.846 -8.433 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.514 -7.801 9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.287 -6.228 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.464 -7.193 9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.891 -8.818 9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.328 -8.657 11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.865 -7.017 11.448 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.796 -7.812 12.454 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.372 -10.553 10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.442 -11.706 11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.061 -9.375 13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.893 -11.071 12.988 1.00 0.00 H new ATOM 311 N ALA A 29 -5.724 -5.288 6.562 1.00 0.00 N ATOM 312 CA ALA A 29 -6.733 -4.417 5.957 1.00 0.00 C ATOM 313 C ALA A 29 -6.882 -4.613 4.437 1.00 0.00 C ATOM 314 O ALA A 29 -7.994 -4.463 3.935 1.00 0.00 O ATOM 315 CB ALA A 29 -6.376 -2.965 6.295 1.00 0.00 C ATOM 0 H ALA A 29 -4.870 -4.792 6.818 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.705 -4.682 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.115 -2.296 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.369 -2.835 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.390 -2.730 5.895 1.00 0.00 H new ATOM 321 N LEU A 30 -5.810 -4.975 3.705 1.00 0.00 N ATOM 322 CA LEU A 30 -5.823 -5.228 2.247 1.00 0.00 C ATOM 323 C LEU A 30 -7.027 -6.066 1.842 1.00 0.00 C ATOM 324 O LEU A 30 -7.836 -5.626 1.027 1.00 0.00 O ATOM 325 CB LEU A 30 -4.513 -5.950 1.845 1.00 0.00 C ATOM 326 CG LEU A 30 -4.273 -6.407 0.388 1.00 0.00 C ATOM 327 CD1 LEU A 30 -5.217 -7.467 -0.199 1.00 0.00 C ATOM 328 CD2 LEU A 30 -4.194 -5.207 -0.549 1.00 0.00 C ATOM 0 H LEU A 30 -4.887 -5.103 4.120 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.895 -4.272 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.689 -5.289 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.429 -6.835 2.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.319 -6.929 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.925 -7.686 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.157 -8.378 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.240 -7.091 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.025 -5.552 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.129 -4.649 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.371 -4.560 -0.244 1.00 0.00 H new ATOM 339 N GLU A 31 -7.144 -7.266 2.410 1.00 0.00 N ATOM 340 CA GLU A 31 -8.151 -8.221 1.972 1.00 0.00 C ATOM 341 C GLU A 31 -9.559 -7.850 2.488 1.00 0.00 C ATOM 342 O GLU A 31 -10.547 -8.420 2.024 1.00 0.00 O ATOM 343 CB GLU A 31 -7.762 -9.655 2.394 1.00 0.00 C ATOM 344 CG GLU A 31 -7.685 -9.831 3.919 1.00 0.00 C ATOM 345 CD GLU A 31 -7.507 -11.274 4.394 1.00 0.00 C ATOM 346 OE1 GLU A 31 -7.209 -12.196 3.598 1.00 0.00 O ATOM 347 OE2 GLU A 31 -7.666 -11.507 5.617 1.00 0.00 O ATOM 0 H GLU A 31 -6.553 -7.596 3.173 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.190 -8.183 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.490 -10.357 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.797 -9.908 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.855 -9.235 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.595 -9.428 4.363 1.00 0.00 H new ATOM 352 N ARG A 32 -9.656 -6.932 3.467 1.00 0.00 N ATOM 353 CA ARG A 32 -10.865 -6.552 4.177 1.00 0.00 C ATOM 354 C ARG A 32 -11.651 -5.465 3.429 1.00 0.00 C ATOM 355 O ARG A 32 -12.881 -5.491 3.437 1.00 0.00 O ATOM 356 CB ARG A 32 -10.439 -6.105 5.591 1.00 0.00 C ATOM 357 CG ARG A 32 -11.648 -5.974 6.514 1.00 0.00 C ATOM 358 CD ARG A 32 -11.303 -5.853 8.010 1.00 0.00 C ATOM 359 NE ARG A 32 -10.653 -4.577 8.371 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.223 -4.239 9.586 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.304 -5.051 10.620 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.687 -3.061 9.803 1.00 0.00 N ATOM 0 H ARG A 32 -8.840 -6.413 3.793 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.550 -7.397 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.736 -6.827 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.917 -5.150 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.223 -5.098 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.292 -6.842 6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.217 -5.962 8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.646 -6.676 8.289 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.522 -3.894 7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.709 -5.981 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.962 -4.750 11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.596 -2.393 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.361 -2.813 10.737 1.00 0.00 H new ATOM 373 N LEU A 33 -10.964 -4.541 2.737 1.00 0.00 N ATOM 374 CA LEU A 33 -11.603 -3.506 1.902 1.00 0.00 C ATOM 375 C LEU A 33 -11.922 -3.934 0.451 1.00 0.00 C ATOM 376 O LEU A 33 -12.388 -3.114 -0.338 1.00 0.00 O ATOM 377 CB LEU A 33 -10.877 -2.149 2.045 1.00 0.00 C ATOM 378 CG LEU A 33 -9.378 -2.052 1.695 1.00 0.00 C ATOM 379 CD1 LEU A 33 -9.042 -2.410 0.244 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.913 -0.615 1.963 1.00 0.00 C ATOM 0 H LEU A 33 -9.945 -4.489 2.740 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.605 -3.362 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.406 -1.428 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.993 -1.823 3.079 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.864 -2.784 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.968 -2.315 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.349 -3.436 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.569 -1.734 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.854 -0.524 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.487 0.075 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.068 -0.373 3.014 1.00 0.00 H new ATOM 391 N LYS A 34 -11.722 -5.212 0.102 1.00 0.00 N ATOM 392 CA LYS A 34 -12.333 -5.948 -1.034 1.00 0.00 C ATOM 393 C LYS A 34 -11.770 -5.639 -2.443 1.00 0.00 C ATOM 394 O LYS A 34 -11.732 -6.531 -3.296 1.00 0.00 O ATOM 395 CB LYS A 34 -13.866 -5.755 -1.063 1.00 0.00 C ATOM 396 CG LYS A 34 -14.596 -6.036 0.260 1.00 0.00 C ATOM 397 CD LYS A 34 -16.107 -5.816 0.091 1.00 0.00 C ATOM 398 CE LYS A 34 -16.857 -5.836 1.428 1.00 0.00 C ATOM 399 NZ LYS A 34 -16.914 -7.184 2.036 1.00 0.00 N ATOM 0 H LYS A 34 -11.088 -5.807 0.636 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.059 -6.983 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.079 -4.729 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.282 -6.406 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.404 -7.060 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.211 -5.381 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.278 -4.860 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.513 -6.590 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.371 -5.150 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.872 -5.469 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.432 -7.137 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.402 -7.836 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.948 -7.528 2.210 1.00 0.00 H new ATOM 409 N GLY A 35 -11.355 -4.398 -2.718 1.00 0.00 N ATOM 410 CA GLY A 35 -11.096 -3.894 -4.078 1.00 0.00 C ATOM 411 C GLY A 35 -9.704 -4.151 -4.662 1.00 0.00 C ATOM 412 O GLY A 35 -9.428 -3.628 -5.738 1.00 0.00 O ATOM 0 H GLY A 35 -11.186 -3.701 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.832 -4.337 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.270 -2.818 -4.079 1.00 0.00 H new ATOM 416 N VAL A 36 -8.826 -4.902 -3.992 1.00 0.00 N ATOM 417 CA VAL A 36 -7.414 -5.087 -4.380 1.00 0.00 C ATOM 418 C VAL A 36 -7.110 -6.556 -4.717 1.00 0.00 C ATOM 419 O VAL A 36 -7.602 -7.475 -4.056 1.00 0.00 O ATOM 420 CB VAL A 36 -6.456 -4.586 -3.275 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.015 -4.503 -3.803 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.851 -3.196 -2.741 1.00 0.00 C ATOM 0 H VAL A 36 -9.077 -5.412 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.249 -4.489 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.526 -5.308 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.357 -4.148 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.690 -5.491 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.975 -3.811 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.147 -2.890 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.830 -2.473 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.856 -3.240 -2.320 1.00 0.00 H new ATOM 432 N ALA A 37 -6.286 -6.777 -5.748 1.00 0.00 N ATOM 433 CA ALA A 37 -5.953 -8.108 -6.262 1.00 0.00 C ATOM 434 C ALA A 37 -4.765 -8.781 -5.547 1.00 0.00 C ATOM 435 O ALA A 37 -4.773 -10.008 -5.392 1.00 0.00 O ATOM 436 CB ALA A 37 -5.683 -7.963 -7.763 1.00 0.00 C ATOM 0 H ALA A 37 -5.825 -6.022 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.796 -8.771 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.431 -8.937 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.574 -7.574 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.852 -7.275 -7.918 1.00 0.00 H new ATOM 442 N GLU A 38 -3.756 -8.020 -5.110 1.00 0.00 N ATOM 443 CA GLU A 38 -2.562 -8.528 -4.430 1.00 0.00 C ATOM 444 C GLU A 38 -1.767 -7.358 -3.850 1.00 0.00 C ATOM 445 O GLU A 38 -1.731 -6.291 -4.455 1.00 0.00 O ATOM 446 CB GLU A 38 -1.685 -9.358 -5.387 1.00 0.00 C ATOM 447 CG GLU A 38 -0.540 -10.090 -4.686 1.00 0.00 C ATOM 448 CD GLU A 38 0.204 -10.948 -5.698 1.00 0.00 C ATOM 449 OE1 GLU A 38 1.167 -10.456 -6.338 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.202 -12.115 -5.891 1.00 0.00 O ATOM 0 H GLU A 38 -3.748 -7.006 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.877 -9.186 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.311 -10.087 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.271 -8.700 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.141 -9.371 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.930 -10.713 -3.881 1.00 0.00 H new ATOM 455 N ALA A 39 -1.095 -7.546 -2.715 1.00 0.00 N ATOM 456 CA ALA A 39 -0.121 -6.582 -2.209 1.00 0.00 C ATOM 457 C ALA A 39 0.925 -7.246 -1.310 1.00 0.00 C ATOM 458 O ALA A 39 0.688 -8.310 -0.738 1.00 0.00 O ATOM 459 CB ALA A 39 -0.867 -5.455 -1.485 1.00 0.00 C ATOM 0 H ALA A 39 -1.210 -8.368 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 39 0.432 -6.160 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.149 -4.730 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.545 -4.962 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.438 -5.871 -0.655 1.00 0.00 H new ATOM 465 N SER A 40 2.082 -6.609 -1.155 1.00 0.00 N ATOM 466 CA SER A 40 3.168 -7.131 -0.327 1.00 0.00 C ATOM 467 C SER A 40 4.116 -6.017 0.144 1.00 0.00 C ATOM 468 O SER A 40 4.754 -5.346 -0.674 1.00 0.00 O ATOM 469 CB SER A 40 3.940 -8.202 -1.107 1.00 0.00 C ATOM 470 OG SER A 40 4.857 -8.867 -0.259 1.00 0.00 O ATOM 0 H SER A 40 2.295 -5.716 -1.600 1.00 0.00 H new ATOM 0 HA SER A 40 2.729 -7.577 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.243 -8.922 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.473 -7.741 -1.939 1.00 0.00 H new ATOM 0 HG SER A 40 5.341 -9.549 -0.771 1.00 0.00 H new ATOM 475 N VAL A 41 4.233 -5.824 1.461 1.00 0.00 N ATOM 476 CA VAL A 41 5.226 -4.916 2.069 1.00 0.00 C ATOM 477 C VAL A 41 6.669 -5.367 1.763 1.00 0.00 C ATOM 478 O VAL A 41 6.922 -6.555 1.543 1.00 0.00 O ATOM 479 CB VAL A 41 4.981 -4.788 3.593 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.291 -6.094 4.336 1.00 0.00 C ATOM 481 CG2 VAL A 41 5.750 -3.619 4.233 1.00 0.00 C ATOM 0 H VAL A 41 3.640 -6.294 2.145 1.00 0.00 H new ATOM 0 HA VAL A 41 5.101 -3.930 1.622 1.00 0.00 H new ATOM 0 HB VAL A 41 3.918 -4.573 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.106 -5.959 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.652 -6.890 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.336 -6.362 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.536 -3.584 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.820 -3.761 4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.440 -2.682 3.770 1.00 0.00 H new ATOM 491 N THR A 42 7.615 -4.419 1.775 1.00 0.00 N ATOM 492 CA THR A 42 9.064 -4.667 1.755 1.00 0.00 C ATOM 493 C THR A 42 9.664 -3.999 2.987 1.00 0.00 C ATOM 494 O THR A 42 9.956 -2.803 2.973 1.00 0.00 O ATOM 495 CB THR A 42 9.689 -4.137 0.456 1.00 0.00 C ATOM 496 OG1 THR A 42 9.052 -4.759 -0.638 1.00 0.00 O ATOM 497 CG2 THR A 42 11.181 -4.461 0.372 1.00 0.00 C ATOM 0 H THR A 42 7.386 -3.425 1.800 1.00 0.00 H new ATOM 0 HA THR A 42 9.272 -5.737 1.782 1.00 0.00 H new ATOM 0 HB THR A 42 9.562 -3.055 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.441 -4.428 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.586 -4.070 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.701 -4.003 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.321 -5.542 0.403 1.00 0.00 H new ATOM 505 N VAL A 43 9.814 -4.761 4.070 1.00 0.00 N ATOM 506 CA VAL A 43 10.249 -4.251 5.384 1.00 0.00 C ATOM 507 C VAL A 43 11.668 -3.682 5.344 1.00 0.00 C ATOM 508 O VAL A 43 11.903 -2.632 5.945 1.00 0.00 O ATOM 509 CB VAL A 43 10.132 -5.354 6.466 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.980 -5.109 7.725 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.661 -5.456 6.901 1.00 0.00 C ATOM 0 H VAL A 43 9.636 -5.765 4.066 1.00 0.00 H new ATOM 0 HA VAL A 43 9.581 -3.430 5.646 1.00 0.00 H new ATOM 0 HB VAL A 43 10.507 -6.269 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.836 -5.931 8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.033 -5.049 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.674 -4.174 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.560 -6.229 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.335 -4.499 7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.044 -5.713 6.040 1.00 0.00 H new ATOM 521 N ALA A 44 12.593 -4.339 4.629 1.00 0.00 N ATOM 522 CA ALA A 44 14.010 -3.970 4.552 1.00 0.00 C ATOM 523 C ALA A 44 14.243 -2.481 4.259 1.00 0.00 C ATOM 524 O ALA A 44 15.115 -1.859 4.870 1.00 0.00 O ATOM 525 CB ALA A 44 14.661 -4.835 3.465 1.00 0.00 C ATOM 0 H ALA A 44 12.367 -5.164 4.074 1.00 0.00 H new ATOM 0 HA ALA A 44 14.460 -4.148 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.718 -4.583 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.558 -5.888 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.170 -4.650 2.510 1.00 0.00 H new ATOM 531 N THR A 45 13.451 -1.911 3.349 1.00 0.00 N ATOM 532 CA THR A 45 13.558 -0.526 2.875 1.00 0.00 C ATOM 533 C THR A 45 12.400 0.359 3.346 1.00 0.00 C ATOM 534 O THR A 45 12.422 1.560 3.073 1.00 0.00 O ATOM 535 CB THR A 45 13.660 -0.540 1.343 1.00 0.00 C ATOM 536 OG1 THR A 45 12.616 -1.324 0.805 1.00 0.00 O ATOM 537 CG2 THR A 45 14.991 -1.136 0.879 1.00 0.00 C ATOM 0 H THR A 45 12.687 -2.420 2.903 1.00 0.00 H new ATOM 0 HA THR A 45 14.456 -0.085 3.308 1.00 0.00 H new ATOM 0 HB THR A 45 13.589 0.491 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.682 -1.330 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.032 -1.131 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.814 -0.541 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.077 -2.161 1.241 1.00 0.00 H new ATOM 545 N GLY A 46 11.397 -0.195 4.045 1.00 0.00 N ATOM 546 CA GLY A 46 10.146 0.497 4.366 1.00 0.00 C ATOM 547 C GLY A 46 9.363 0.910 3.115 1.00 0.00 C ATOM 548 O GLY A 46 8.918 2.055 3.030 1.00 0.00 O ATOM 0 H GLY A 46 11.436 -1.148 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.524 -0.152 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.368 1.383 4.960 1.00 0.00 H new ATOM 552 N ARG A 47 9.234 0.005 2.134 1.00 0.00 N ATOM 553 CA ARG A 47 8.556 0.232 0.842 1.00 0.00 C ATOM 554 C ARG A 47 7.410 -0.779 0.620 1.00 0.00 C ATOM 555 O ARG A 47 7.106 -1.593 1.495 1.00 0.00 O ATOM 556 CB ARG A 47 9.589 0.203 -0.305 1.00 0.00 C ATOM 557 CG ARG A 47 10.681 1.279 -0.176 1.00 0.00 C ATOM 558 CD ARG A 47 11.630 1.295 -1.383 1.00 0.00 C ATOM 559 NE ARG A 47 12.878 2.018 -1.086 1.00 0.00 N ATOM 560 CZ ARG A 47 14.108 1.673 -1.459 1.00 0.00 C ATOM 561 NH1 ARG A 47 14.365 0.655 -2.251 1.00 0.00 N ATOM 562 NH2 ARG A 47 15.138 2.344 -1.009 1.00 0.00 N ATOM 0 H ARG A 47 9.611 -0.939 2.218 1.00 0.00 H new ATOM 0 HA ARG A 47 8.095 1.220 0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.060 -0.780 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.070 0.336 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.213 2.258 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.256 1.103 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.863 0.271 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.131 1.763 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 47 12.791 2.873 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.601 0.084 -2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.329 0.436 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.997 3.129 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.082 2.081 -1.294 1.00 0.00 H new ATOM 573 N LEU A 48 6.745 -0.732 -0.542 1.00 0.00 N ATOM 574 CA LEU A 48 5.529 -1.512 -0.837 1.00 0.00 C ATOM 575 C LEU A 48 5.423 -1.860 -2.330 1.00 0.00 C ATOM 576 O LEU A 48 5.855 -1.064 -3.166 1.00 0.00 O ATOM 577 CB LEU A 48 4.303 -0.674 -0.401 1.00 0.00 C ATOM 578 CG LEU A 48 3.379 -1.333 0.637 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.340 -0.291 1.058 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.649 -2.559 0.072 1.00 0.00 C ATOM 0 H LEU A 48 7.040 -0.141 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 48 5.570 -2.454 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.659 0.272 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.714 -0.438 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 48 3.985 -1.673 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.666 -0.726 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.845 0.572 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.767 0.025 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.009 -2.989 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.039 -2.259 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.380 -3.302 -0.249 1.00 0.00 H new ATOM 591 N THR A 49 4.775 -2.991 -2.649 1.00 0.00 N ATOM 592 CA THR A 49 4.380 -3.416 -4.011 1.00 0.00 C ATOM 593 C THR A 49 2.914 -3.842 -3.980 1.00 0.00 C ATOM 594 O THR A 49 2.469 -4.410 -2.982 1.00 0.00 O ATOM 595 CB THR A 49 5.257 -4.563 -4.543 1.00 0.00 C ATOM 596 OG1 THR A 49 6.614 -4.342 -4.232 1.00 0.00 O ATOM 597 CG2 THR A 49 5.195 -4.684 -6.066 1.00 0.00 C ATOM 0 H THR A 49 4.498 -3.667 -1.938 1.00 0.00 H new ATOM 0 HA THR A 49 4.521 -2.575 -4.689 1.00 0.00 H new ATOM 0 HB THR A 49 4.870 -5.466 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.154 -5.083 -4.578 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.831 -5.507 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.167 -4.875 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.543 -3.756 -6.519 1.00 0.00 H new ATOM 605 N VAL A 50 2.168 -3.559 -5.047 1.00 0.00 N ATOM 606 CA VAL A 50 0.710 -3.777 -5.123 1.00 0.00 C ATOM 607 C VAL A 50 0.238 -4.059 -6.556 1.00 0.00 C ATOM 608 O VAL A 50 0.663 -3.377 -7.488 1.00 0.00 O ATOM 609 CB VAL A 50 -0.054 -2.583 -4.488 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.235 -1.230 -5.168 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.575 -2.807 -4.435 1.00 0.00 C ATOM 0 H VAL A 50 2.560 -3.164 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 50 0.480 -4.672 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 50 0.332 -2.537 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.333 -0.444 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.300 -1.008 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.057 -1.280 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.055 -1.940 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.958 -2.946 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.792 -3.694 -3.840 1.00 0.00 H new ATOM 621 N THR A 51 -0.671 -5.033 -6.708 1.00 0.00 N ATOM 622 CA THR A 51 -1.480 -5.288 -7.911 1.00 0.00 C ATOM 623 C THR A 51 -2.903 -4.810 -7.647 1.00 0.00 C ATOM 624 O THR A 51 -3.577 -5.321 -6.752 1.00 0.00 O ATOM 625 CB THR A 51 -1.525 -6.782 -8.264 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.216 -7.289 -8.417 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.242 -7.020 -9.603 1.00 0.00 C ATOM 0 H THR A 51 -0.872 -5.697 -5.960 1.00 0.00 H new ATOM 0 HA THR A 51 -1.026 -4.754 -8.746 1.00 0.00 H new ATOM 0 HB THR A 51 -2.056 -7.279 -7.452 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.258 -8.242 -8.640 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.256 -8.087 -9.823 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.265 -6.649 -9.539 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.714 -6.493 -10.397 1.00 0.00 H new ATOM 635 N TYR A 52 -3.386 -3.880 -8.469 1.00 0.00 N ATOM 636 CA TYR A 52 -4.775 -3.408 -8.429 1.00 0.00 C ATOM 637 C TYR A 52 -5.359 -3.175 -9.827 1.00 0.00 C ATOM 638 O TYR A 52 -4.626 -2.923 -10.787 1.00 0.00 O ATOM 639 CB TYR A 52 -4.902 -2.153 -7.543 1.00 0.00 C ATOM 640 CG TYR A 52 -4.184 -0.893 -8.008 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.771 -0.042 -8.967 1.00 0.00 C ATOM 642 CD2 TYR A 52 -2.959 -0.524 -7.419 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.141 1.165 -9.330 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.330 0.688 -7.763 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.924 1.541 -8.720 1.00 0.00 C ATOM 646 OH TYR A 52 -2.329 2.721 -9.044 1.00 0.00 O ATOM 0 H TYR A 52 -2.822 -3.427 -9.188 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.371 -4.203 -7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.962 -1.919 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.533 -2.404 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.709 -0.317 -9.426 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.497 -1.178 -6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.590 1.804 -10.076 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.396 0.965 -7.297 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.501 2.822 -8.530 1.00 0.00 H new ATOM 655 N ASP A 53 -6.686 -3.245 -9.936 1.00 0.00 N ATOM 656 CA ASP A 53 -7.457 -2.904 -11.119 1.00 0.00 C ATOM 657 C ASP A 53 -7.774 -1.394 -11.087 1.00 0.00 C ATOM 658 O ASP A 53 -8.545 -0.949 -10.224 1.00 0.00 O ATOM 659 CB ASP A 53 -8.728 -3.761 -11.160 1.00 0.00 C ATOM 660 CG ASP A 53 -9.485 -3.531 -12.463 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.185 -4.216 -13.466 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.351 -2.626 -12.497 1.00 0.00 O ATOM 0 H ASP A 53 -7.274 -3.556 -9.163 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.891 -3.112 -12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.466 -4.815 -11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.368 -3.514 -10.313 1.00 0.00 H new ATOM 666 N PRO A 54 -7.201 -0.595 -12.012 1.00 0.00 N ATOM 667 CA PRO A 54 -7.283 0.867 -12.004 1.00 0.00 C ATOM 668 C PRO A 54 -8.669 1.396 -12.416 1.00 0.00 C ATOM 669 O PRO A 54 -8.823 2.585 -12.700 1.00 0.00 O ATOM 670 CB PRO A 54 -6.174 1.321 -12.960 1.00 0.00 C ATOM 671 CG PRO A 54 -6.130 0.195 -13.988 1.00 0.00 C ATOM 672 CD PRO A 54 -6.378 -1.038 -13.131 1.00 0.00 C ATOM 0 HA PRO A 54 -7.148 1.269 -11.000 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.406 2.281 -13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.220 1.437 -12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.893 0.316 -14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.168 0.148 -14.499 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.885 -1.815 -13.704 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.438 -1.463 -12.779 1.00 0.00 H new ATOM 677 N LYS A 55 -9.677 0.521 -12.464 1.00 0.00 N ATOM 678 CA LYS A 55 -11.055 0.852 -12.840 1.00 0.00 C ATOM 679 C LYS A 55 -12.013 0.511 -11.684 1.00 0.00 C ATOM 680 O LYS A 55 -12.810 1.361 -11.277 1.00 0.00 O ATOM 681 CB LYS A 55 -11.399 0.155 -14.173 1.00 0.00 C ATOM 682 CG LYS A 55 -10.368 0.484 -15.274 1.00 0.00 C ATOM 683 CD LYS A 55 -10.798 0.015 -16.667 1.00 0.00 C ATOM 684 CE LYS A 55 -9.856 0.605 -17.728 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.283 0.260 -19.105 1.00 0.00 N ATOM 0 H LYS A 55 -9.554 -0.466 -12.236 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.168 1.923 -13.011 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.436 -0.924 -14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.392 0.465 -14.500 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.202 1.561 -15.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.415 0.020 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.780 -1.074 -16.716 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.824 0.326 -16.865 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.822 1.689 -17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.844 0.236 -17.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.620 0.678 -19.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.291 -0.774 -19.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.238 0.634 -19.276 1.00 0.00 H new ATOM 695 N GLN A 56 -11.829 -0.652 -11.043 1.00 0.00 N ATOM 696 CA GLN A 56 -12.464 -0.974 -9.760 1.00 0.00 C ATOM 697 C GLN A 56 -12.007 -0.014 -8.649 1.00 0.00 C ATOM 698 O GLN A 56 -12.851 0.427 -7.866 1.00 0.00 O ATOM 699 CB GLN A 56 -12.153 -2.421 -9.338 1.00 0.00 C ATOM 700 CG GLN A 56 -12.739 -3.510 -10.255 1.00 0.00 C ATOM 701 CD GLN A 56 -14.256 -3.680 -10.164 1.00 0.00 C ATOM 702 OE1 GLN A 56 -14.977 -2.882 -9.579 1.00 0.00 O ATOM 703 NE2 GLN A 56 -14.800 -4.731 -10.735 1.00 0.00 N ATOM 0 H GLN A 56 -11.233 -1.398 -11.402 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.539 -0.863 -9.901 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.071 -2.546 -9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.531 -2.577 -8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.475 -3.276 -11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.266 -4.462 -10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.213 -5.405 -11.226 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.809 -4.872 -10.687 1.00 0.00 H new ATOM 710 N VAL A 57 -10.719 0.361 -8.597 1.00 0.00 N ATOM 711 CA VAL A 57 -10.158 1.283 -7.582 1.00 0.00 C ATOM 712 C VAL A 57 -9.071 2.199 -8.180 1.00 0.00 C ATOM 713 O VAL A 57 -8.916 2.270 -9.398 1.00 0.00 O ATOM 714 CB VAL A 57 -9.618 0.521 -6.338 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.714 -0.283 -5.623 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.438 -0.413 -6.667 1.00 0.00 C ATOM 0 H VAL A 57 -10.024 0.031 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.980 1.916 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.258 1.303 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.286 -0.796 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.501 0.393 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.134 -1.017 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.107 -0.915 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.756 -1.157 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.615 0.171 -7.079 1.00 0.00 H new ATOM 726 N SER A 58 -8.307 2.897 -7.336 1.00 0.00 N ATOM 727 CA SER A 58 -7.130 3.685 -7.710 1.00 0.00 C ATOM 728 C SER A 58 -6.078 3.635 -6.582 1.00 0.00 C ATOM 729 O SER A 58 -6.313 3.026 -5.532 1.00 0.00 O ATOM 730 CB SER A 58 -7.561 5.130 -8.040 1.00 0.00 C ATOM 731 OG SER A 58 -7.646 5.986 -6.911 1.00 0.00 O ATOM 0 H SER A 58 -8.499 2.930 -6.335 1.00 0.00 H new ATOM 0 HA SER A 58 -6.667 3.263 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.852 5.555 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.532 5.103 -8.535 1.00 0.00 H new ATOM 0 HG SER A 58 -7.922 6.881 -7.199 1.00 0.00 H new ATOM 736 N GLU A 59 -4.951 4.334 -6.756 1.00 0.00 N ATOM 737 CA GLU A 59 -3.928 4.591 -5.724 1.00 0.00 C ATOM 738 C GLU A 59 -4.497 5.037 -4.350 1.00 0.00 C ATOM 739 O GLU A 59 -3.866 4.830 -3.308 1.00 0.00 O ATOM 740 CB GLU A 59 -2.928 5.620 -6.282 1.00 0.00 C ATOM 741 CG GLU A 59 -3.538 6.993 -6.594 1.00 0.00 C ATOM 742 CD GLU A 59 -2.458 7.978 -7.025 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.139 8.071 -8.234 1.00 0.00 O ATOM 744 OE2 GLU A 59 -1.947 8.727 -6.164 1.00 0.00 O ATOM 0 H GLU A 59 -4.713 4.755 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.431 3.645 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.120 5.750 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.482 5.219 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.283 6.894 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.055 7.375 -5.714 1.00 0.00 H new ATOM 749 N ILE A 60 -5.715 5.591 -4.315 1.00 0.00 N ATOM 750 CA ILE A 60 -6.476 5.947 -3.103 1.00 0.00 C ATOM 751 C ILE A 60 -6.685 4.753 -2.156 1.00 0.00 C ATOM 752 O ILE A 60 -6.629 4.920 -0.931 1.00 0.00 O ATOM 753 CB ILE A 60 -7.816 6.582 -3.559 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.532 8.046 -3.974 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.950 6.464 -2.523 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.701 8.742 -4.672 1.00 0.00 C ATOM 0 H ILE A 60 -6.224 5.815 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.906 6.664 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.196 6.020 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.263 8.617 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.667 8.062 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.853 6.932 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.147 5.412 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.654 6.965 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.416 9.763 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.958 8.198 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.563 8.762 -4.005 1.00 0.00 H new ATOM 767 N THR A 61 -6.908 3.551 -2.700 1.00 0.00 N ATOM 768 CA THR A 61 -7.227 2.331 -1.931 1.00 0.00 C ATOM 769 C THR A 61 -5.994 1.680 -1.300 1.00 0.00 C ATOM 770 O THR A 61 -6.114 0.760 -0.486 1.00 0.00 O ATOM 771 CB THR A 61 -8.042 1.392 -2.826 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.194 2.112 -3.205 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.538 0.128 -2.127 1.00 0.00 C ATOM 0 H THR A 61 -6.872 3.390 -3.707 1.00 0.00 H new ATOM 0 HA THR A 61 -7.837 2.596 -1.068 1.00 0.00 H new ATOM 0 HB THR A 61 -7.396 1.078 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.888 1.487 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.105 -0.479 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.685 -0.443 -1.760 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.178 0.403 -1.289 1.00 0.00 H new ATOM 781 N ILE A 62 -4.793 2.185 -1.594 1.00 0.00 N ATOM 782 CA ILE A 62 -3.603 1.934 -0.762 1.00 0.00 C ATOM 783 C ILE A 62 -3.140 3.166 0.026 1.00 0.00 C ATOM 784 O ILE A 62 -2.693 2.981 1.155 1.00 0.00 O ATOM 785 CB ILE A 62 -2.511 1.214 -1.584 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.501 0.531 -0.632 1.00 0.00 C ATOM 787 CG2 ILE A 62 -1.809 2.136 -2.592 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.705 -0.600 -1.292 1.00 0.00 C ATOM 0 H ILE A 62 -4.614 2.775 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.877 1.241 0.034 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.004 0.450 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.806 1.281 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.038 0.132 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.053 1.571 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.542 2.533 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.332 2.960 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.017 -1.033 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.391 -1.370 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.140 -0.203 -2.135 1.00 0.00 H new ATOM 799 N GLN A 63 -3.348 4.394 -0.472 1.00 0.00 N ATOM 800 CA GLN A 63 -3.040 5.636 0.253 1.00 0.00 C ATOM 801 C GLN A 63 -3.647 5.649 1.656 1.00 0.00 C ATOM 802 O GLN A 63 -2.919 5.816 2.634 1.00 0.00 O ATOM 803 CB GLN A 63 -3.543 6.859 -0.542 1.00 0.00 C ATOM 804 CG GLN A 63 -3.219 8.220 0.124 1.00 0.00 C ATOM 805 CD GLN A 63 -4.452 9.081 0.434 1.00 0.00 C ATOM 806 OE1 GLN A 63 -4.752 9.411 1.580 1.00 0.00 O ATOM 807 NE2 GLN A 63 -5.207 9.478 -0.565 1.00 0.00 N ATOM 0 H GLN A 63 -3.739 4.555 -1.400 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.956 5.686 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.101 6.839 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.622 6.777 -0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.675 8.037 1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.553 8.782 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.970 9.212 -1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.030 10.053 -0.385 1.00 0.00 H new ATOM 814 N GLU A 64 -4.966 5.474 1.771 1.00 0.00 N ATOM 815 CA GLU A 64 -5.637 5.672 3.059 1.00 0.00 C ATOM 816 C GLU A 64 -5.270 4.570 4.063 1.00 0.00 C ATOM 817 O GLU A 64 -5.063 4.876 5.234 1.00 0.00 O ATOM 818 CB GLU A 64 -7.151 5.866 2.882 1.00 0.00 C ATOM 819 CG GLU A 64 -7.429 6.976 1.850 1.00 0.00 C ATOM 820 CD GLU A 64 -8.816 7.593 1.968 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.821 6.915 1.645 1.00 0.00 O ATOM 822 OE2 GLU A 64 -8.907 8.790 2.331 1.00 0.00 O ATOM 0 H GLU A 64 -5.581 5.201 1.004 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.268 6.601 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.609 4.932 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.606 6.126 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.682 7.761 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.309 6.565 0.848 1.00 0.00 H new ATOM 827 N ARG A 65 -5.021 3.330 3.610 1.00 0.00 N ATOM 828 CA ARG A 65 -4.434 2.272 4.450 1.00 0.00 C ATOM 829 C ARG A 65 -3.043 2.598 5.010 1.00 0.00 C ATOM 830 O ARG A 65 -2.601 1.924 5.935 1.00 0.00 O ATOM 831 CB ARG A 65 -4.351 0.947 3.678 1.00 0.00 C ATOM 832 CG ARG A 65 -5.638 0.130 3.829 1.00 0.00 C ATOM 833 CD ARG A 65 -5.468 -1.259 3.200 1.00 0.00 C ATOM 834 NE ARG A 65 -5.287 -1.166 1.739 1.00 0.00 N ATOM 835 CZ ARG A 65 -4.363 -1.757 0.998 1.00 0.00 C ATOM 836 NH1 ARG A 65 -3.423 -2.535 1.498 1.00 0.00 N ATOM 837 NH2 ARG A 65 -4.390 -1.550 -0.300 1.00 0.00 N ATOM 0 H ARG A 65 -5.220 3.033 2.655 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.110 2.190 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.169 1.150 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.504 0.365 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.891 0.030 4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.466 0.653 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.607 -1.759 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.342 -1.871 3.422 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.953 -0.576 1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.384 -2.706 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.735 -2.966 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.108 -0.950 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.693 -1.990 -0.901 1.00 0.00 H new ATOM 848 N ILE A 66 -2.331 3.584 4.468 1.00 0.00 N ATOM 849 CA ILE A 66 -1.028 4.029 4.990 1.00 0.00 C ATOM 850 C ILE A 66 -1.212 5.306 5.826 1.00 0.00 C ATOM 851 O ILE A 66 -0.695 5.396 6.939 1.00 0.00 O ATOM 852 CB ILE A 66 -0.041 4.199 3.808 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.150 2.882 3.009 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.332 4.648 4.332 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.614 3.128 1.569 1.00 0.00 C ATOM 0 H ILE A 66 -2.640 4.105 3.647 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.599 3.284 5.660 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.469 4.950 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.880 2.254 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.790 2.331 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.020 4.765 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.229 5.600 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.722 3.898 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.732 2.173 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.128 3.732 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.569 3.654 1.579 1.00 0.00 H new ATOM 866 N ALA A 67 -1.997 6.266 5.330 1.00 0.00 N ATOM 867 CA ALA A 67 -2.211 7.567 5.965 1.00 0.00 C ATOM 868 C ALA A 67 -3.107 7.499 7.225 1.00 0.00 C ATOM 869 O ALA A 67 -2.928 8.295 8.152 1.00 0.00 O ATOM 870 CB ALA A 67 -2.812 8.506 4.909 1.00 0.00 C ATOM 0 H ALA A 67 -2.512 6.157 4.457 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.252 7.941 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.984 9.487 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.121 8.601 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.758 8.097 4.554 1.00 0.00 H new ATOM 876 N ALA A 68 -4.065 6.567 7.293 1.00 0.00 N ATOM 877 CA ALA A 68 -4.937 6.365 8.457 1.00 0.00 C ATOM 878 C ALA A 68 -4.255 5.555 9.569 1.00 0.00 C ATOM 879 O ALA A 68 -4.404 5.878 10.748 1.00 0.00 O ATOM 880 CB ALA A 68 -6.224 5.676 7.994 1.00 0.00 C ATOM 0 H ALA A 68 -4.260 5.921 6.528 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.166 7.340 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.881 5.520 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.728 6.303 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.980 4.714 7.544 1.00 0.00 H new ATOM 886 N LEU A 69 -3.471 4.537 9.196 1.00 0.00 N ATOM 887 CA LEU A 69 -2.745 3.652 10.117 1.00 0.00 C ATOM 888 C LEU A 69 -1.555 4.348 10.822 1.00 0.00 C ATOM 889 O LEU A 69 -0.982 3.775 11.750 1.00 0.00 O ATOM 890 CB LEU A 69 -2.325 2.383 9.343 1.00 0.00 C ATOM 891 CG LEU A 69 -3.426 1.319 9.099 1.00 0.00 C ATOM 892 CD1 LEU A 69 -3.778 0.567 10.389 1.00 0.00 C ATOM 893 CD2 LEU A 69 -4.729 1.852 8.478 1.00 0.00 C ATOM 0 H LEU A 69 -3.319 4.298 8.216 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.409 3.372 10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.929 2.690 8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.508 1.908 9.886 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.975 0.650 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.553 -0.171 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.890 0.063 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.142 1.274 11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.433 1.030 8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.165 2.603 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.513 2.301 7.509 1.00 0.00 H new ATOM 904 N GLY A 70 -1.223 5.589 10.431 1.00 0.00 N ATOM 905 CA GLY A 70 -0.317 6.495 11.156 1.00 0.00 C ATOM 906 C GLY A 70 0.952 6.901 10.403 1.00 0.00 C ATOM 907 O GLY A 70 1.840 7.499 11.016 1.00 0.00 O ATOM 0 H GLY A 70 -1.590 6.003 9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.868 7.398 11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.026 6.017 12.091 1.00 0.00 H new ATOM 911 N TYR A 71 1.050 6.585 9.107 1.00 0.00 N ATOM 912 CA TYR A 71 2.274 6.681 8.297 1.00 0.00 C ATOM 913 C TYR A 71 2.117 7.652 7.097 1.00 0.00 C ATOM 914 O TYR A 71 1.186 8.465 7.057 1.00 0.00 O ATOM 915 CB TYR A 71 2.652 5.248 7.866 1.00 0.00 C ATOM 916 CG TYR A 71 2.555 4.208 8.972 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.343 4.332 10.134 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.617 3.161 8.874 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.167 3.441 11.209 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.446 2.257 9.940 1.00 0.00 C ATOM 921 CZ TYR A 71 2.202 2.413 11.122 1.00 0.00 C ATOM 922 OH TYR A 71 1.996 1.585 12.183 1.00 0.00 O ATOM 0 H TYR A 71 0.252 6.243 8.572 1.00 0.00 H new ATOM 0 HA TYR A 71 3.083 7.113 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.003 4.947 7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.672 5.256 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.085 5.114 10.200 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.026 3.051 7.977 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.769 3.543 12.100 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.738 1.446 9.854 1.00 0.00 H new ATOM 0 HH TYR A 71 2.668 0.872 12.177 1.00 0.00 H new ATOM 931 N THR A 72 3.023 7.602 6.107 1.00 0.00 N ATOM 932 CA THR A 72 2.973 8.421 4.876 1.00 0.00 C ATOM 933 C THR A 72 3.544 7.656 3.677 1.00 0.00 C ATOM 934 O THR A 72 4.027 6.539 3.839 1.00 0.00 O ATOM 935 CB THR A 72 3.667 9.776 5.099 1.00 0.00 C ATOM 936 OG1 THR A 72 3.363 10.634 4.024 1.00 0.00 O ATOM 937 CG2 THR A 72 5.188 9.691 5.226 1.00 0.00 C ATOM 0 H THR A 72 3.830 6.979 6.137 1.00 0.00 H new ATOM 0 HA THR A 72 1.930 8.630 4.639 1.00 0.00 H new ATOM 0 HB THR A 72 3.289 10.153 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.801 11.499 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.597 10.690 5.381 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.447 9.057 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.606 9.266 4.314 1.00 0.00 H new ATOM 945 N LEU A 73 3.488 8.251 2.482 1.00 0.00 N ATOM 946 CA LEU A 73 3.755 7.609 1.191 1.00 0.00 C ATOM 947 C LEU A 73 4.243 8.575 0.102 1.00 0.00 C ATOM 948 O LEU A 73 4.051 9.792 0.207 1.00 0.00 O ATOM 949 CB LEU A 73 2.499 6.845 0.718 1.00 0.00 C ATOM 950 CG LEU A 73 1.287 7.716 0.300 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.411 6.908 -0.663 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.431 8.176 1.492 1.00 0.00 C ATOM 0 H LEU A 73 3.245 9.237 2.383 1.00 0.00 H new ATOM 0 HA LEU A 73 4.578 6.914 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.778 6.217 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.182 6.178 1.519 1.00 0.00 H new ATOM 0 HG LEU A 73 1.681 8.615 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.447 7.509 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.993 6.637 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.062 6.003 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.400 8.781 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.043 7.304 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.043 8.769 2.172 1.00 0.00 H new ATOM 963 N ALA A 74 4.776 8.007 -0.983 1.00 0.00 N ATOM 964 CA ALA A 74 4.945 8.642 -2.290 1.00 0.00 C ATOM 965 C ALA A 74 4.980 7.582 -3.411 1.00 0.00 C ATOM 966 O ALA A 74 5.800 6.662 -3.388 1.00 0.00 O ATOM 967 CB ALA A 74 6.219 9.502 -2.285 1.00 0.00 C ATOM 0 H ALA A 74 5.117 7.046 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 74 4.093 9.292 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.343 9.974 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.136 10.271 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.083 8.871 -2.075 1.00 0.00 H new ATOM 973 N GLU A 75 4.107 7.724 -4.411 1.00 0.00 N ATOM 974 CA GLU A 75 4.100 6.923 -5.637 1.00 0.00 C ATOM 975 C GLU A 75 4.217 7.885 -6.839 1.00 0.00 C ATOM 976 O GLU A 75 3.215 8.496 -7.227 1.00 0.00 O ATOM 977 CB GLU A 75 2.843 6.025 -5.668 1.00 0.00 C ATOM 978 CG GLU A 75 2.943 4.904 -6.711 1.00 0.00 C ATOM 979 CD GLU A 75 2.625 5.388 -8.123 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.435 5.679 -8.400 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.551 5.442 -8.963 1.00 0.00 O ATOM 0 H GLU A 75 3.363 8.421 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 75 4.949 6.241 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.690 5.586 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.968 6.639 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.949 4.484 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.257 4.101 -6.443 1.00 0.00 H new ATOM 986 N PRO A 76 5.437 8.115 -7.370 1.00 0.00 N ATOM 987 CA PRO A 76 5.702 9.065 -8.456 1.00 0.00 C ATOM 988 C PRO A 76 5.513 8.460 -9.854 1.00 0.00 C ATOM 989 O PRO A 76 4.575 8.890 -10.570 1.00 0.00 O ATOM 990 CB PRO A 76 7.130 9.560 -8.200 1.00 0.00 C ATOM 991 CG PRO A 76 7.820 8.352 -7.566 1.00 0.00 C ATOM 992 CD PRO A 76 6.698 7.687 -6.770 1.00 0.00 C ATOM 0 HA PRO A 76 4.985 9.886 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.621 9.863 -9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.142 10.424 -7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.231 7.681 -8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.647 8.652 -6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.792 6.602 -6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.744 7.979 -5.721 1.00 0.00 H new