USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 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 Single : A 12 GLN :FLIP amide:sc= 0.349 F(o=-2.7!,f=0.35) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 2:sc= 0.13! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.215 F(o=-0.86,f=-0.22) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -18.7! C(o=-19!,f=-22!) USER MOD Single : A 43 SER OG : rot 180:sc= -7.94! USER MOD Single : A 48 SER OG : rot -11:sc= -1.31 USER MOD Single : A 53 MET CE :methyl 178:sc= -13.6! (180deg=-13.8!) USER MOD Single : A 54 SER OG : rot -160:sc= -4.12! USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= -0.0424 (180deg=-0.834) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.0435 (180deg=-0.285) USER MOD Single : A 67 ASN : amide:sc= -9.27! C(o=-9.3!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.12! (180deg=-1.45!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -0.630 15.929 4.741 1.00 3.18 N ATOM 2 CA PRO A 9 0.676 15.268 4.992 1.00 2.42 C ATOM 3 C PRO A 9 0.636 13.793 4.605 1.00 1.56 C ATOM 4 O PRO A 9 0.347 12.931 5.435 1.00 1.99 O ATOM 5 CB PRO A 9 0.994 15.420 6.476 1.00 3.01 C ATOM 6 CG PRO A 9 -0.053 16.352 6.982 1.00 3.80 C ATOM 7 CD PRO A 9 -1.235 16.208 6.055 1.00 3.91 C ATOM 0 HA PRO A 9 1.449 15.736 4.382 1.00 2.42 H new ATOM 0 HB2 PRO A 9 0.956 14.460 6.992 1.00 3.01 H new ATOM 0 HB3 PRO A 9 1.995 15.824 6.629 1.00 3.01 H new ATOM 0 HG2 PRO A 9 -0.331 16.105 8.007 1.00 3.80 H new ATOM 0 HG3 PRO A 9 0.312 17.379 6.989 1.00 3.80 H new ATOM 0 HD2 PRO A 9 -1.893 15.398 6.371 1.00 3.91 H new ATOM 0 HD3 PRO A 9 -1.836 17.117 6.032 1.00 3.91 H new ATOM 15 N GLY A 10 0.928 13.511 3.340 1.00 1.04 N ATOM 16 CA GLY A 10 0.920 12.140 2.865 1.00 0.71 C ATOM 17 C GLY A 10 2.227 11.746 2.206 1.00 0.58 C ATOM 18 O GLY A 10 2.942 12.595 1.674 1.00 0.58 O ATOM 0 H GLY A 10 1.170 14.207 2.635 1.00 1.04 H new ATOM 0 HA2 GLY A 10 0.722 11.470 3.702 1.00 0.71 H new ATOM 0 HA3 GLY A 10 0.105 12.010 2.153 1.00 0.71 H new ATOM 22 N LEU A 11 2.543 10.456 2.245 1.00 0.49 N ATOM 23 CA LEU A 11 3.769 9.952 1.655 1.00 0.40 C ATOM 24 C LEU A 11 3.719 10.036 0.133 1.00 0.40 C ATOM 25 O LEU A 11 2.661 9.870 -0.474 1.00 0.46 O ATOM 26 CB LEU A 11 4.014 8.506 2.088 1.00 0.38 C ATOM 27 CG LEU A 11 3.748 8.219 3.567 1.00 0.43 C ATOM 28 CD1 LEU A 11 2.391 7.559 3.746 1.00 0.57 C ATOM 29 CD2 LEU A 11 4.850 7.343 4.143 1.00 0.48 C ATOM 0 H LEU A 11 1.962 9.741 2.682 1.00 0.49 H new ATOM 0 HA LEU A 11 4.591 10.574 2.008 1.00 0.40 H new ATOM 0 HB2 LEU A 11 3.383 7.851 1.487 1.00 0.38 H new ATOM 0 HB3 LEU A 11 5.048 8.246 1.863 1.00 0.38 H new ATOM 0 HG LEU A 11 3.742 9.165 4.108 1.00 0.43 H new ATOM 0 HD11 LEU A 11 2.219 7.362 4.804 1.00 0.57 H new ATOM 0 HD12 LEU A 11 1.612 8.221 3.369 1.00 0.57 H new ATOM 0 HD13 LEU A 11 2.368 6.620 3.194 1.00 0.57 H new ATOM 0 HD21 LEU A 11 4.647 7.148 5.196 1.00 0.48 H new ATOM 0 HD22 LEU A 11 4.886 6.399 3.599 1.00 0.48 H new ATOM 0 HD23 LEU A 11 5.808 7.854 4.047 1.00 0.48 H new ATOM 41 N GLN A 12 4.869 10.299 -0.478 1.00 0.39 N ATOM 42 CA GLN A 12 4.959 10.410 -1.924 1.00 0.42 C ATOM 43 C GLN A 12 4.499 9.125 -2.604 1.00 0.40 C ATOM 44 O GLN A 12 4.762 8.024 -2.119 1.00 0.40 O ATOM 45 CB GLN A 12 6.393 10.737 -2.343 1.00 0.49 C ATOM 46 CG GLN A 12 6.495 11.941 -3.265 1.00 0.82 C ATOM 47 CD GLN A 12 6.066 11.624 -4.685 1.00 0.50 C ATOM 48 OE1 GLN A 12 4.759 11.607 -4.919 1.00 1.08 O flip ATOM 49 NE2 GLN A 12 6.900 11.397 -5.561 1.00 0.64 N flip ATOM 0 H GLN A 12 5.753 10.439 0.010 1.00 0.39 H new ATOM 0 HA GLN A 12 4.300 11.219 -2.240 1.00 0.42 H new ATOM 0 HB2 GLN A 12 6.991 10.921 -1.450 1.00 0.49 H new ATOM 0 HB3 GLN A 12 6.824 9.869 -2.842 1.00 0.49 H new ATOM 0 HG2 GLN A 12 5.875 12.748 -2.873 1.00 0.82 H new ATOM 0 HG3 GLN A 12 7.523 12.303 -3.272 1.00 0.82 H new ATOM 0 HE21 GLN A 12 7.895 11.421 -5.337 1.00 0.64 H new ATOM 0 HE22 GLN A 12 6.597 11.185 -6.511 1.00 0.64 H new ATOM 58 N ILE A 13 3.809 9.275 -3.729 1.00 0.39 N ATOM 59 CA ILE A 13 3.307 8.133 -4.481 1.00 0.38 C ATOM 60 C ILE A 13 4.445 7.340 -5.113 1.00 0.37 C ATOM 61 O ILE A 13 5.226 7.875 -5.901 1.00 0.41 O ATOM 62 CB ILE A 13 2.340 8.587 -5.588 1.00 0.39 C ATOM 63 CG1 ILE A 13 1.191 9.395 -4.986 1.00 0.40 C ATOM 64 CG2 ILE A 13 1.807 7.389 -6.359 1.00 0.41 C ATOM 65 CD1 ILE A 13 0.004 8.548 -4.585 1.00 0.43 C ATOM 0 H ILE A 13 3.584 10.181 -4.141 1.00 0.39 H new ATOM 0 HA ILE A 13 2.778 7.494 -3.774 1.00 0.38 H new ATOM 0 HB ILE A 13 2.884 9.224 -6.285 1.00 0.39 H new ATOM 0 HG12 ILE A 13 1.555 9.934 -4.111 1.00 0.40 H new ATOM 0 HG13 ILE A 13 0.866 10.143 -5.709 1.00 0.40 H new ATOM 0 HG21 ILE A 13 1.125 7.731 -7.137 1.00 0.41 H new ATOM 0 HG22 ILE A 13 2.638 6.851 -6.816 1.00 0.41 H new ATOM 0 HG23 ILE A 13 1.276 6.725 -5.677 1.00 0.41 H new ATOM 0 HD11 ILE A 13 -0.773 9.187 -4.166 1.00 0.43 H new ATOM 0 HD12 ILE A 13 -0.386 8.030 -5.461 1.00 0.43 H new ATOM 0 HD13 ILE A 13 0.314 7.817 -3.839 1.00 0.43 H new ATOM 77 N TYR A 14 4.528 6.060 -4.768 1.00 0.36 N ATOM 78 CA TYR A 14 5.565 5.188 -5.306 1.00 0.37 C ATOM 79 C TYR A 14 4.981 4.236 -6.343 1.00 0.38 C ATOM 80 O TYR A 14 3.872 3.729 -6.179 1.00 0.36 O ATOM 81 CB TYR A 14 6.227 4.391 -4.182 1.00 0.39 C ATOM 82 CG TYR A 14 6.863 5.255 -3.116 1.00 0.37 C ATOM 83 CD1 TYR A 14 7.110 6.602 -3.344 1.00 1.00 C ATOM 84 CD2 TYR A 14 7.215 4.722 -1.883 1.00 0.90 C ATOM 85 CE1 TYR A 14 7.691 7.395 -2.372 1.00 1.00 C ATOM 86 CE2 TYR A 14 7.796 5.507 -0.906 1.00 0.92 C ATOM 87 CZ TYR A 14 8.032 6.843 -1.156 1.00 0.39 C ATOM 88 OH TYR A 14 8.610 7.628 -0.185 1.00 0.43 O ATOM 0 H TYR A 14 3.889 5.603 -4.118 1.00 0.36 H new ATOM 0 HA TYR A 14 6.318 5.811 -5.788 1.00 0.37 H new ATOM 0 HB2 TYR A 14 5.481 3.747 -3.717 1.00 0.39 H new ATOM 0 HB3 TYR A 14 6.988 3.739 -4.611 1.00 0.39 H new ATOM 0 HD1 TYR A 14 6.844 7.037 -4.296 1.00 1.00 H new ATOM 0 HD2 TYR A 14 7.031 3.676 -1.685 1.00 0.90 H new ATOM 0 HE1 TYR A 14 7.877 8.441 -2.564 1.00 1.00 H new ATOM 0 HE2 TYR A 14 8.064 5.077 0.048 1.00 0.92 H new ATOM 0 HH TYR A 14 8.787 7.085 0.612 1.00 0.43 H new ATOM 98 N PRO A 15 5.725 3.980 -7.427 1.00 0.45 N ATOM 99 CA PRO A 15 5.279 3.083 -8.496 1.00 0.47 C ATOM 100 C PRO A 15 5.133 1.645 -8.015 1.00 0.45 C ATOM 101 O PRO A 15 5.674 0.720 -8.619 1.00 0.48 O ATOM 102 CB PRO A 15 6.389 3.189 -9.547 1.00 0.54 C ATOM 103 CG PRO A 15 7.584 3.668 -8.797 1.00 0.69 C ATOM 104 CD PRO A 15 7.058 4.544 -7.695 1.00 0.53 C ATOM 0 HA PRO A 15 4.295 3.360 -8.875 1.00 0.47 H new ATOM 0 HB2 PRO A 15 6.579 2.225 -10.019 1.00 0.54 H new ATOM 0 HB3 PRO A 15 6.116 3.884 -10.341 1.00 0.54 H new ATOM 0 HG2 PRO A 15 8.152 2.830 -8.392 1.00 0.69 H new ATOM 0 HG3 PRO A 15 8.257 4.224 -9.450 1.00 0.69 H new ATOM 0 HD2 PRO A 15 7.696 4.508 -6.812 1.00 0.53 H new ATOM 0 HD3 PRO A 15 6.999 5.588 -8.003 1.00 0.53 H new ATOM 112 N TYR A 16 4.392 1.469 -6.926 1.00 0.41 N ATOM 113 CA TYR A 16 4.165 0.143 -6.357 1.00 0.41 C ATOM 114 C TYR A 16 5.450 -0.658 -6.301 1.00 0.46 C ATOM 115 O TYR A 16 6.051 -0.838 -5.242 1.00 0.46 O ATOM 116 CB TYR A 16 3.116 -0.613 -7.176 1.00 0.41 C ATOM 117 CG TYR A 16 2.695 -1.933 -6.565 1.00 0.41 C ATOM 118 CD1 TYR A 16 2.189 -1.993 -5.271 1.00 1.12 C ATOM 119 CD2 TYR A 16 2.796 -3.118 -7.284 1.00 1.28 C ATOM 120 CE1 TYR A 16 1.797 -3.196 -4.714 1.00 1.12 C ATOM 121 CE2 TYR A 16 2.406 -4.324 -6.733 1.00 1.30 C ATOM 122 CZ TYR A 16 1.907 -4.357 -5.448 1.00 0.47 C ATOM 123 OH TYR A 16 1.518 -5.556 -4.896 1.00 0.51 O ATOM 0 H TYR A 16 3.937 2.228 -6.418 1.00 0.41 H new ATOM 0 HA TYR A 16 3.800 0.275 -5.338 1.00 0.41 H new ATOM 0 HB2 TYR A 16 2.236 0.019 -7.293 1.00 0.41 H new ATOM 0 HB3 TYR A 16 3.512 -0.796 -8.175 1.00 0.41 H new ATOM 0 HD1 TYR A 16 2.101 -1.085 -4.692 1.00 1.12 H new ATOM 0 HD2 TYR A 16 3.186 -3.096 -8.291 1.00 1.28 H new ATOM 0 HE1 TYR A 16 1.406 -3.226 -3.708 1.00 1.12 H new ATOM 0 HE2 TYR A 16 2.492 -5.236 -7.306 1.00 1.30 H new ATOM 0 HH TYR A 16 1.161 -5.402 -3.996 1.00 0.51 H new ATOM 133 N GLU A 17 5.853 -1.129 -7.455 1.00 0.51 N ATOM 134 CA GLU A 17 7.068 -1.920 -7.592 1.00 0.58 C ATOM 135 C GLU A 17 8.178 -1.317 -6.748 1.00 0.60 C ATOM 136 O GLU A 17 9.114 -2.005 -6.341 1.00 0.63 O ATOM 137 CB GLU A 17 7.499 -1.988 -9.058 1.00 0.67 C ATOM 138 CG GLU A 17 6.338 -1.930 -10.037 1.00 1.30 C ATOM 139 CD GLU A 17 6.731 -2.366 -11.434 1.00 1.63 C ATOM 140 OE1 GLU A 17 7.479 -3.359 -11.558 1.00 2.08 O ATOM 141 OE2 GLU A 17 6.290 -1.716 -12.406 1.00 2.20 O ATOM 0 H GLU A 17 5.353 -0.979 -8.331 1.00 0.51 H new ATOM 0 HA GLU A 17 6.867 -2.933 -7.243 1.00 0.58 H new ATOM 0 HB2 GLU A 17 8.180 -1.163 -9.266 1.00 0.67 H new ATOM 0 HB3 GLU A 17 8.056 -2.911 -9.222 1.00 0.67 H new ATOM 0 HG2 GLU A 17 5.531 -2.567 -9.675 1.00 1.30 H new ATOM 0 HG3 GLU A 17 5.949 -0.912 -10.074 1.00 1.30 H new ATOM 148 N MET A 18 8.055 -0.024 -6.485 1.00 0.58 N ATOM 149 CA MET A 18 9.033 0.687 -5.682 1.00 0.62 C ATOM 150 C MET A 18 9.007 0.171 -4.250 1.00 0.60 C ATOM 151 O MET A 18 9.980 0.301 -3.507 1.00 0.66 O ATOM 152 CB MET A 18 8.752 2.191 -5.705 1.00 0.61 C ATOM 153 CG MET A 18 9.866 3.009 -6.337 1.00 0.66 C ATOM 154 SD MET A 18 11.162 3.444 -5.162 1.00 1.23 S ATOM 155 CE MET A 18 12.147 4.571 -6.145 1.00 2.07 C ATOM 0 H MET A 18 7.284 0.554 -6.819 1.00 0.58 H new ATOM 0 HA MET A 18 10.023 0.513 -6.104 1.00 0.62 H new ATOM 0 HB2 MET A 18 7.826 2.371 -6.251 1.00 0.61 H new ATOM 0 HB3 MET A 18 8.592 2.538 -4.684 1.00 0.61 H new ATOM 0 HG2 MET A 18 10.303 2.445 -7.161 1.00 0.66 H new ATOM 0 HG3 MET A 18 9.446 3.920 -6.762 1.00 0.66 H new ATOM 0 HE1 MET A 18 12.990 4.928 -5.554 1.00 2.07 H new ATOM 0 HE2 MET A 18 12.517 4.054 -7.030 1.00 2.07 H new ATOM 0 HE3 MET A 18 11.534 5.419 -6.450 1.00 2.07 H new ATOM 165 N LEU A 19 7.877 -0.417 -3.879 1.00 0.54 N ATOM 166 CA LEU A 19 7.687 -0.966 -2.546 1.00 0.56 C ATOM 167 C LEU A 19 7.380 -2.457 -2.625 1.00 0.61 C ATOM 168 O LEU A 19 7.518 -3.186 -1.643 1.00 0.75 O ATOM 169 CB LEU A 19 6.542 -0.235 -1.848 1.00 0.50 C ATOM 170 CG LEU A 19 6.706 1.282 -1.757 1.00 0.47 C ATOM 171 CD1 LEU A 19 5.359 1.975 -1.887 1.00 0.52 C ATOM 172 CD2 LEU A 19 7.379 1.663 -0.448 1.00 0.50 C ATOM 0 H LEU A 19 7.070 -0.526 -4.493 1.00 0.54 H new ATOM 0 HA LEU A 19 8.605 -0.830 -1.974 1.00 0.56 H new ATOM 0 HB2 LEU A 19 5.615 -0.454 -2.377 1.00 0.50 H new ATOM 0 HB3 LEU A 19 6.436 -0.635 -0.840 1.00 0.50 H new ATOM 0 HG LEU A 19 7.339 1.611 -2.581 1.00 0.47 H new ATOM 0 HD11 LEU A 19 5.497 3.054 -1.820 1.00 0.52 H new ATOM 0 HD12 LEU A 19 4.913 1.726 -2.850 1.00 0.52 H new ATOM 0 HD13 LEU A 19 4.700 1.643 -1.085 1.00 0.52 H new ATOM 0 HD21 LEU A 19 7.489 2.746 -0.397 1.00 0.50 H new ATOM 0 HD22 LEU A 19 6.769 1.321 0.388 1.00 0.50 H new ATOM 0 HD23 LEU A 19 8.362 1.196 -0.395 1.00 0.50 H new ATOM 184 N VAL A 20 6.958 -2.898 -3.805 1.00 0.58 N ATOM 185 CA VAL A 20 6.621 -4.298 -4.032 1.00 0.64 C ATOM 186 C VAL A 20 7.847 -5.193 -3.902 1.00 0.86 C ATOM 187 O VAL A 20 8.292 -5.798 -4.878 1.00 1.27 O ATOM 188 CB VAL A 20 6.001 -4.500 -5.425 1.00 0.82 C ATOM 189 CG1 VAL A 20 5.424 -5.900 -5.555 1.00 1.07 C ATOM 190 CG2 VAL A 20 4.936 -3.448 -5.688 1.00 0.94 C ATOM 0 H VAL A 20 6.841 -2.301 -4.624 1.00 0.58 H new ATOM 0 HA VAL A 20 5.894 -4.575 -3.269 1.00 0.64 H new ATOM 0 HB VAL A 20 6.785 -4.387 -6.174 1.00 0.82 H new ATOM 0 HG11 VAL A 20 4.990 -6.024 -6.547 1.00 1.07 H new ATOM 0 HG12 VAL A 20 6.216 -6.635 -5.411 1.00 1.07 H new ATOM 0 HG13 VAL A 20 4.652 -6.047 -4.800 1.00 1.07 H new ATOM 0 HG21 VAL A 20 4.507 -3.604 -6.678 1.00 0.94 H new ATOM 0 HG22 VAL A 20 4.152 -3.528 -4.935 1.00 0.94 H new ATOM 0 HG23 VAL A 20 5.385 -2.456 -5.640 1.00 0.94 H new ATOM 200 N VAL A 21 8.390 -5.275 -2.693 1.00 1.14 N ATOM 201 CA VAL A 21 9.561 -6.096 -2.440 1.00 1.51 C ATOM 202 C VAL A 21 9.328 -7.536 -2.886 1.00 1.25 C ATOM 203 O VAL A 21 8.486 -8.240 -2.329 1.00 1.50 O ATOM 204 CB VAL A 21 9.943 -6.089 -0.948 1.00 2.28 C ATOM 205 CG1 VAL A 21 11.141 -6.992 -0.698 1.00 2.70 C ATOM 206 CG2 VAL A 21 10.228 -4.670 -0.477 1.00 2.80 C ATOM 0 H VAL A 21 8.035 -4.781 -1.874 1.00 1.14 H new ATOM 0 HA VAL A 21 10.379 -5.666 -3.018 1.00 1.51 H new ATOM 0 HB VAL A 21 9.101 -6.476 -0.375 1.00 2.28 H new ATOM 0 HG11 VAL A 21 11.396 -6.974 0.362 1.00 2.70 H new ATOM 0 HG12 VAL A 21 10.896 -8.012 -0.995 1.00 2.70 H new ATOM 0 HG13 VAL A 21 11.991 -6.639 -1.282 1.00 2.70 H new ATOM 0 HG21 VAL A 21 10.496 -4.684 0.579 1.00 2.80 H new ATOM 0 HG22 VAL A 21 11.053 -4.253 -1.055 1.00 2.80 H new ATOM 0 HG23 VAL A 21 9.339 -4.055 -0.617 1.00 2.80 H new ATOM 216 N THR A 22 10.080 -7.968 -3.893 1.00 1.38 N ATOM 217 CA THR A 22 9.962 -9.311 -4.411 1.00 1.61 C ATOM 218 C THR A 22 11.289 -10.055 -4.312 1.00 1.59 C ATOM 219 O THR A 22 11.898 -10.397 -5.325 1.00 1.95 O ATOM 220 CB THR A 22 9.480 -9.291 -5.855 1.00 2.31 C ATOM 221 OG1 THR A 22 9.231 -7.967 -6.292 1.00 2.66 O ATOM 222 CG2 THR A 22 8.217 -10.094 -6.076 1.00 2.90 C ATOM 0 H THR A 22 10.781 -7.396 -4.365 1.00 1.38 H new ATOM 0 HA THR A 22 9.226 -9.838 -3.803 1.00 1.61 H new ATOM 0 HB THR A 22 10.287 -9.746 -6.429 1.00 2.31 H new ATOM 0 HG1 THR A 22 8.924 -7.982 -7.223 1.00 2.66 H new ATOM 0 HG21 THR A 22 7.929 -10.037 -7.126 1.00 2.90 H new ATOM 0 HG22 THR A 22 8.395 -11.134 -5.804 1.00 2.90 H new ATOM 0 HG23 THR A 22 7.416 -9.690 -5.457 1.00 2.90 H new ATOM 230 N ASN A 23 11.729 -10.302 -3.082 1.00 2.02 N ATOM 231 CA ASN A 23 12.983 -11.006 -2.845 1.00 2.29 C ATOM 232 C ASN A 23 13.428 -10.846 -1.395 1.00 2.28 C ATOM 233 O ASN A 23 14.508 -10.323 -1.120 1.00 2.62 O ATOM 234 CB ASN A 23 14.072 -10.485 -3.785 1.00 2.97 C ATOM 235 CG ASN A 23 14.837 -11.607 -4.461 1.00 3.60 C ATOM 236 OD1 ASN A 23 14.121 -12.645 -4.877 1.00 4.22 O flip ATOM 237 ND2 ASN A 23 16.058 -11.541 -4.607 1.00 3.86 N flip ATOM 0 H ASN A 23 11.235 -10.025 -2.234 1.00 2.02 H new ATOM 0 HA ASN A 23 12.820 -12.065 -3.043 1.00 2.29 H new ATOM 0 HB2 ASN A 23 13.618 -9.849 -4.545 1.00 2.97 H new ATOM 0 HB3 ASN A 23 14.767 -9.863 -3.222 1.00 2.97 H new ATOM 0 HD21 ASN A 23 16.568 -10.724 -4.272 1.00 3.86 H new ATOM 0 HD22 ASN A 23 16.559 -12.303 -5.063 1.00 3.86 H new ATOM 244 N LYS A 24 12.587 -11.301 -0.472 1.00 2.52 N ATOM 245 CA LYS A 24 12.891 -11.210 0.951 1.00 3.05 C ATOM 246 C LYS A 24 13.977 -10.171 1.211 1.00 2.64 C ATOM 247 O LYS A 24 13.878 -9.031 0.759 1.00 2.93 O ATOM 248 CB LYS A 24 13.327 -12.576 1.486 1.00 4.19 C ATOM 249 CG LYS A 24 14.546 -13.144 0.778 1.00 4.81 C ATOM 250 CD LYS A 24 14.150 -14.022 -0.397 1.00 5.30 C ATOM 251 CE LYS A 24 12.894 -14.825 -0.096 1.00 6.30 C ATOM 252 NZ LYS A 24 12.642 -15.869 -1.127 1.00 6.77 N ATOM 0 H LYS A 24 11.689 -11.737 -0.684 1.00 2.52 H new ATOM 0 HA LYS A 24 11.987 -10.896 1.474 1.00 3.05 H new ATOM 0 HB2 LYS A 24 13.543 -12.488 2.551 1.00 4.19 H new ATOM 0 HB3 LYS A 24 12.499 -13.278 1.386 1.00 4.19 H new ATOM 0 HG2 LYS A 24 15.177 -12.328 0.427 1.00 4.81 H new ATOM 0 HG3 LYS A 24 15.140 -13.725 1.484 1.00 4.81 H new ATOM 0 HD2 LYS A 24 13.983 -13.400 -1.277 1.00 5.30 H new ATOM 0 HD3 LYS A 24 14.968 -14.701 -0.637 1.00 5.30 H new ATOM 0 HE2 LYS A 24 12.990 -15.296 0.882 1.00 6.30 H new ATOM 0 HE3 LYS A 24 12.037 -14.153 -0.043 1.00 6.30 H new ATOM 0 HZ1 LYS A 24 11.777 -16.394 -0.885 1.00 6.77 H new ATOM 0 HZ2 LYS A 24 12.525 -15.418 -2.057 1.00 6.77 H new ATOM 0 HZ3 LYS A 24 13.448 -16.526 -1.160 1.00 6.77 H new ATOM 266 N GLY A 25 15.012 -10.571 1.942 1.00 2.50 N ATOM 267 CA GLY A 25 16.099 -9.659 2.248 1.00 2.53 C ATOM 268 C GLY A 25 15.627 -8.428 2.995 1.00 2.21 C ATOM 269 O GLY A 25 14.816 -7.656 2.483 1.00 2.69 O ATOM 0 H GLY A 25 15.118 -11.509 2.328 1.00 2.50 H new ATOM 0 HA2 GLY A 25 16.848 -10.178 2.846 1.00 2.53 H new ATOM 0 HA3 GLY A 25 16.586 -9.354 1.322 1.00 2.53 H new ATOM 273 N ARG A 26 16.132 -8.247 4.212 1.00 1.99 N ATOM 274 CA ARG A 26 15.758 -7.108 5.037 1.00 2.20 C ATOM 275 C ARG A 26 16.021 -5.791 4.311 1.00 1.84 C ATOM 276 O ARG A 26 16.813 -4.967 4.769 1.00 1.75 O ATOM 277 CB ARG A 26 16.528 -7.137 6.359 1.00 2.88 C ATOM 278 CG ARG A 26 16.180 -8.325 7.240 1.00 3.22 C ATOM 279 CD ARG A 26 16.876 -9.592 6.769 1.00 3.58 C ATOM 280 NE ARG A 26 17.147 -10.510 7.871 1.00 4.17 N ATOM 281 CZ ARG A 26 18.345 -10.663 8.426 1.00 4.71 C ATOM 282 NH1 ARG A 26 19.378 -9.958 7.987 1.00 4.86 N ATOM 283 NH2 ARG A 26 18.510 -11.522 9.423 1.00 5.46 N ATOM 0 H ARG A 26 16.804 -8.879 4.648 1.00 1.99 H new ATOM 0 HA ARG A 26 14.690 -7.178 5.242 1.00 2.20 H new ATOM 0 HB2 ARG A 26 17.597 -7.154 6.147 1.00 2.88 H new ATOM 0 HB3 ARG A 26 16.326 -6.217 6.908 1.00 2.88 H new ATOM 0 HG2 ARG A 26 16.468 -8.112 8.270 1.00 3.22 H new ATOM 0 HG3 ARG A 26 15.101 -8.479 7.236 1.00 3.22 H new ATOM 0 HD2 ARG A 26 16.255 -10.092 6.026 1.00 3.58 H new ATOM 0 HD3 ARG A 26 17.813 -9.329 6.277 1.00 3.58 H new ATOM 0 HE ARG A 26 16.373 -11.066 8.236 1.00 4.17 H new ATOM 0 HH11 ARG A 26 19.255 -9.296 7.221 1.00 4.86 H new ATOM 0 HH12 ARG A 26 20.296 -10.078 8.415 1.00 4.86 H new ATOM 0 HH21 ARG A 26 17.717 -12.066 9.764 1.00 5.46 H new ATOM 0 HH22 ARG A 26 19.430 -11.639 9.848 1.00 5.46 H new ATOM 297 N THR A 27 15.356 -5.602 3.176 1.00 1.74 N ATOM 298 CA THR A 27 15.519 -4.394 2.388 1.00 1.49 C ATOM 299 C THR A 27 14.958 -3.179 3.113 1.00 1.26 C ATOM 300 O THR A 27 14.148 -3.306 4.032 1.00 1.36 O ATOM 301 CB THR A 27 14.842 -4.546 1.030 1.00 1.65 C ATOM 302 OG1 THR A 27 14.183 -3.350 0.676 1.00 1.54 O ATOM 303 CG2 THR A 27 13.829 -5.669 0.980 1.00 1.90 C ATOM 0 H THR A 27 14.698 -6.275 2.783 1.00 1.74 H new ATOM 0 HA THR A 27 16.588 -4.240 2.239 1.00 1.49 H new ATOM 0 HB THR A 27 15.642 -4.783 0.329 1.00 1.65 H new ATOM 0 HG1 THR A 27 13.754 -3.459 -0.198 1.00 1.54 H new ATOM 0 HG21 THR A 27 13.388 -5.717 -0.016 1.00 1.90 H new ATOM 0 HG22 THR A 27 14.323 -6.615 1.205 1.00 1.90 H new ATOM 0 HG23 THR A 27 13.045 -5.485 1.715 1.00 1.90 H new ATOM 311 N LYS A 28 15.398 -2.002 2.688 1.00 1.10 N ATOM 312 CA LYS A 28 14.946 -0.752 3.289 1.00 0.95 C ATOM 313 C LYS A 28 13.914 -0.064 2.401 1.00 0.77 C ATOM 314 O LYS A 28 14.077 0.006 1.183 1.00 0.80 O ATOM 315 CB LYS A 28 16.133 0.181 3.530 1.00 1.06 C ATOM 316 CG LYS A 28 17.296 -0.487 4.244 1.00 1.54 C ATOM 317 CD LYS A 28 18.197 0.534 4.919 1.00 2.15 C ATOM 318 CE LYS A 28 19.457 0.788 4.108 1.00 3.02 C ATOM 319 NZ LYS A 28 20.313 1.838 4.725 1.00 3.75 N ATOM 0 H LYS A 28 16.069 -1.886 1.928 1.00 1.10 H new ATOM 0 HA LYS A 28 14.478 -0.986 4.245 1.00 0.95 H new ATOM 0 HB2 LYS A 28 16.480 0.569 2.572 1.00 1.06 H new ATOM 0 HB3 LYS A 28 15.799 1.036 4.118 1.00 1.06 H new ATOM 0 HG2 LYS A 28 16.914 -1.185 4.989 1.00 1.54 H new ATOM 0 HG3 LYS A 28 17.877 -1.070 3.529 1.00 1.54 H new ATOM 0 HD2 LYS A 28 17.653 1.469 5.051 1.00 2.15 H new ATOM 0 HD3 LYS A 28 18.468 0.180 5.914 1.00 2.15 H new ATOM 0 HE2 LYS A 28 20.025 -0.138 4.021 1.00 3.02 H new ATOM 0 HE3 LYS A 28 19.183 1.091 3.097 1.00 3.02 H new ATOM 0 HZ1 LYS A 28 21.162 1.981 4.141 1.00 3.75 H new ATOM 0 HZ2 LYS A 28 19.780 2.729 4.785 1.00 3.75 H new ATOM 0 HZ3 LYS A 28 20.596 1.538 5.680 1.00 3.75 H new ATOM 333 N LEU A 29 12.849 0.437 3.018 1.00 0.65 N ATOM 334 CA LEU A 29 11.791 1.110 2.291 1.00 0.53 C ATOM 335 C LEU A 29 12.184 2.544 1.950 1.00 0.49 C ATOM 336 O LEU A 29 13.042 3.137 2.605 1.00 0.52 O ATOM 337 CB LEU A 29 10.497 1.104 3.107 1.00 0.55 C ATOM 338 CG LEU A 29 9.830 -0.265 3.250 1.00 0.69 C ATOM 339 CD1 LEU A 29 8.593 -0.166 4.129 1.00 0.75 C ATOM 340 CD2 LEU A 29 9.470 -0.826 1.883 1.00 0.90 C ATOM 0 H LEU A 29 12.700 0.387 4.026 1.00 0.65 H new ATOM 0 HA LEU A 29 11.628 0.568 1.359 1.00 0.53 H new ATOM 0 HB2 LEU A 29 10.711 1.493 4.102 1.00 0.55 H new ATOM 0 HB3 LEU A 29 9.789 1.790 2.642 1.00 0.55 H new ATOM 0 HG LEU A 29 10.536 -0.945 3.726 1.00 0.69 H new ATOM 0 HD11 LEU A 29 8.131 -1.149 4.220 1.00 0.75 H new ATOM 0 HD12 LEU A 29 8.877 0.194 5.118 1.00 0.75 H new ATOM 0 HD13 LEU A 29 7.883 0.528 3.680 1.00 0.75 H new ATOM 0 HD21 LEU A 29 8.996 -1.800 2.003 1.00 0.90 H new ATOM 0 HD22 LEU A 29 8.781 -0.147 1.381 1.00 0.90 H new ATOM 0 HD23 LEU A 29 10.374 -0.933 1.284 1.00 0.90 H new ATOM 352 N PRO A 30 11.556 3.119 0.914 1.00 0.48 N ATOM 353 CA PRO A 30 11.835 4.490 0.478 1.00 0.54 C ATOM 354 C PRO A 30 11.813 5.483 1.634 1.00 0.52 C ATOM 355 O PRO A 30 11.093 5.295 2.615 1.00 0.51 O ATOM 356 CB PRO A 30 10.697 4.784 -0.501 1.00 0.58 C ATOM 357 CG PRO A 30 10.313 3.450 -1.040 1.00 0.56 C ATOM 358 CD PRO A 30 10.521 2.473 0.086 1.00 0.48 C ATOM 0 HA PRO A 30 12.829 4.586 0.042 1.00 0.54 H new ATOM 0 HB2 PRO A 30 9.857 5.266 -0.000 1.00 0.58 H new ATOM 0 HB3 PRO A 30 11.021 5.455 -1.296 1.00 0.58 H new ATOM 0 HG2 PRO A 30 9.275 3.447 -1.372 1.00 0.56 H new ATOM 0 HG3 PRO A 30 10.925 3.187 -1.903 1.00 0.56 H new ATOM 0 HD2 PRO A 30 9.602 2.307 0.649 1.00 0.48 H new ATOM 0 HD3 PRO A 30 10.850 1.501 -0.281 1.00 0.48 H new ATOM 366 N PRO A 31 12.606 6.560 1.529 1.00 0.59 N ATOM 367 CA PRO A 31 12.682 7.593 2.566 1.00 0.64 C ATOM 368 C PRO A 31 11.307 8.132 2.946 1.00 0.59 C ATOM 369 O PRO A 31 10.873 9.165 2.436 1.00 0.77 O ATOM 370 CB PRO A 31 13.526 8.691 1.915 1.00 0.78 C ATOM 371 CG PRO A 31 14.344 7.983 0.890 1.00 0.91 C ATOM 372 CD PRO A 31 13.491 6.851 0.388 1.00 0.70 C ATOM 0 HA PRO A 31 13.104 7.208 3.494 1.00 0.64 H new ATOM 0 HB2 PRO A 31 12.897 9.456 1.460 1.00 0.78 H new ATOM 0 HB3 PRO A 31 14.158 9.192 2.649 1.00 0.78 H new ATOM 0 HG2 PRO A 31 14.618 8.655 0.077 1.00 0.91 H new ATOM 0 HG3 PRO A 31 15.273 7.610 1.322 1.00 0.91 H new ATOM 0 HD2 PRO A 31 12.924 7.137 -0.498 1.00 0.70 H new ATOM 0 HD3 PRO A 31 14.093 5.984 0.115 1.00 0.70 H new ATOM 380 N GLY A 32 10.627 7.425 3.842 1.00 0.48 N ATOM 381 CA GLY A 32 9.308 7.847 4.273 1.00 0.45 C ATOM 382 C GLY A 32 8.223 6.878 3.849 1.00 0.42 C ATOM 383 O GLY A 32 7.343 7.226 3.063 1.00 0.42 O ATOM 0 H GLY A 32 10.966 6.567 4.277 1.00 0.48 H new ATOM 0 HA2 GLY A 32 9.298 7.947 5.358 1.00 0.45 H new ATOM 0 HA3 GLY A 32 9.092 8.833 3.861 1.00 0.45 H new ATOM 387 N VAL A 33 8.287 5.658 4.372 1.00 0.42 N ATOM 388 CA VAL A 33 7.320 4.638 4.056 1.00 0.41 C ATOM 389 C VAL A 33 6.583 4.180 5.287 1.00 0.45 C ATOM 390 O VAL A 33 7.090 4.262 6.406 1.00 0.51 O ATOM 391 CB VAL A 33 7.962 3.442 3.365 1.00 0.44 C ATOM 392 CG1 VAL A 33 6.979 2.290 3.256 1.00 0.47 C ATOM 393 CG2 VAL A 33 8.482 3.848 2.001 1.00 0.40 C ATOM 0 H VAL A 33 9.012 5.359 5.024 1.00 0.42 H new ATOM 0 HA VAL A 33 6.606 5.089 3.366 1.00 0.41 H new ATOM 0 HB VAL A 33 8.804 3.100 3.967 1.00 0.44 H new ATOM 0 HG11 VAL A 33 7.460 1.447 2.759 1.00 0.47 H new ATOM 0 HG12 VAL A 33 6.659 1.989 4.254 1.00 0.47 H new ATOM 0 HG13 VAL A 33 6.111 2.606 2.677 1.00 0.47 H new ATOM 0 HG21 VAL A 33 8.939 2.986 1.515 1.00 0.40 H new ATOM 0 HG22 VAL A 33 7.656 4.213 1.391 1.00 0.40 H new ATOM 0 HG23 VAL A 33 9.225 4.637 2.115 1.00 0.40 H new ATOM 403 N ASP A 34 5.366 3.730 5.072 1.00 0.45 N ATOM 404 CA ASP A 34 4.525 3.293 6.156 1.00 0.50 C ATOM 405 C ASP A 34 4.077 1.847 5.970 1.00 0.53 C ATOM 406 O ASP A 34 3.117 1.572 5.252 1.00 0.50 O ATOM 407 CB ASP A 34 3.322 4.220 6.220 1.00 0.47 C ATOM 408 CG ASP A 34 3.036 4.712 7.625 1.00 0.55 C ATOM 409 OD1 ASP A 34 2.563 3.904 8.452 1.00 1.24 O ATOM 410 OD2 ASP A 34 3.284 5.905 7.899 1.00 1.11 O ATOM 0 H ASP A 34 4.938 3.658 4.149 1.00 0.45 H new ATOM 0 HA ASP A 34 5.087 3.332 7.089 1.00 0.50 H new ATOM 0 HB2 ASP A 34 3.493 5.076 5.568 1.00 0.47 H new ATOM 0 HB3 ASP A 34 2.445 3.698 5.837 1.00 0.47 H new ATOM 415 N ARG A 35 4.776 0.927 6.625 1.00 0.60 N ATOM 416 CA ARG A 35 4.442 -0.489 6.533 1.00 0.65 C ATOM 417 C ARG A 35 2.930 -0.684 6.542 1.00 0.66 C ATOM 418 O ARG A 35 2.322 -0.958 5.508 1.00 0.67 O ATOM 419 CB ARG A 35 5.076 -1.262 7.691 1.00 0.76 C ATOM 420 CG ARG A 35 6.217 -2.170 7.263 1.00 1.24 C ATOM 421 CD ARG A 35 6.562 -3.179 8.347 1.00 1.82 C ATOM 422 NE ARG A 35 7.728 -2.770 9.124 1.00 2.25 N ATOM 423 CZ ARG A 35 8.538 -3.625 9.740 1.00 2.86 C ATOM 424 NH1 ARG A 35 8.308 -4.929 9.668 1.00 3.33 N ATOM 425 NH2 ARG A 35 9.579 -3.176 10.428 1.00 3.48 N ATOM 0 H ARG A 35 5.575 1.135 7.224 1.00 0.60 H new ATOM 0 HA ARG A 35 4.838 -0.874 5.593 1.00 0.65 H new ATOM 0 HB2 ARG A 35 5.445 -0.553 8.432 1.00 0.76 H new ATOM 0 HB3 ARG A 35 4.309 -1.862 8.180 1.00 0.76 H new ATOM 0 HG2 ARG A 35 5.942 -2.696 6.349 1.00 1.24 H new ATOM 0 HG3 ARG A 35 7.096 -1.568 7.032 1.00 1.24 H new ATOM 0 HD2 ARG A 35 5.708 -3.302 9.013 1.00 1.82 H new ATOM 0 HD3 ARG A 35 6.753 -4.150 7.891 1.00 1.82 H new ATOM 0 HE ARG A 35 7.932 -1.773 9.198 1.00 2.25 H new ATOM 0 HH11 ARG A 35 7.508 -5.277 9.139 1.00 3.33 H new ATOM 0 HH12 ARG A 35 8.931 -5.584 10.141 1.00 3.33 H new ATOM 0 HH21 ARG A 35 9.759 -2.174 10.485 1.00 3.48 H new ATOM 0 HH22 ARG A 35 10.200 -3.833 10.900 1.00 3.48 H new ATOM 439 N MET A 36 2.328 -0.537 7.717 1.00 0.67 N ATOM 440 CA MET A 36 0.891 -0.692 7.863 1.00 0.69 C ATOM 441 C MET A 36 0.146 0.269 6.943 1.00 0.62 C ATOM 442 O MET A 36 -1.064 0.148 6.751 1.00 0.70 O ATOM 443 CB MET A 36 0.475 -0.453 9.316 1.00 0.77 C ATOM 444 CG MET A 36 0.935 -1.545 10.268 1.00 1.17 C ATOM 445 SD MET A 36 1.150 -0.950 11.956 1.00 1.57 S ATOM 446 CE MET A 36 2.869 -0.449 11.923 1.00 2.44 C ATOM 0 H MET A 36 2.817 -0.310 8.583 1.00 0.67 H new ATOM 0 HA MET A 36 0.630 -1.712 7.582 1.00 0.69 H new ATOM 0 HB2 MET A 36 0.881 0.502 9.649 1.00 0.77 H new ATOM 0 HB3 MET A 36 -0.611 -0.373 9.366 1.00 0.77 H new ATOM 0 HG2 MET A 36 0.207 -2.356 10.263 1.00 1.17 H new ATOM 0 HG3 MET A 36 1.877 -1.960 9.910 1.00 1.17 H new ATOM 0 HE1 MET A 36 3.153 -0.057 12.900 1.00 2.44 H new ATOM 0 HE2 MET A 36 3.494 -1.309 11.681 1.00 2.44 H new ATOM 0 HE3 MET A 36 3.008 0.324 11.168 1.00 2.44 H new ATOM 456 N ARG A 37 0.877 1.226 6.380 1.00 0.51 N ATOM 457 CA ARG A 37 0.285 2.211 5.482 1.00 0.45 C ATOM 458 C ARG A 37 1.126 2.380 4.220 1.00 0.40 C ATOM 459 O ARG A 37 1.572 3.483 3.902 1.00 0.40 O ATOM 460 CB ARG A 37 0.140 3.558 6.194 1.00 0.44 C ATOM 461 CG ARG A 37 -1.261 4.141 6.113 1.00 0.79 C ATOM 462 CD ARG A 37 -2.155 3.599 7.217 1.00 0.79 C ATOM 463 NE ARG A 37 -2.937 4.654 7.855 1.00 1.16 N ATOM 464 CZ ARG A 37 -3.350 4.604 9.117 1.00 1.69 C ATOM 465 NH1 ARG A 37 -3.054 3.555 9.873 1.00 2.45 N ATOM 466 NH2 ARG A 37 -4.058 5.603 9.625 1.00 2.08 N ATOM 0 H ARG A 37 1.879 1.340 6.530 1.00 0.51 H new ATOM 0 HA ARG A 37 -0.702 1.850 5.191 1.00 0.45 H new ATOM 0 HB2 ARG A 37 0.414 3.437 7.242 1.00 0.44 H new ATOM 0 HB3 ARG A 37 0.845 4.267 5.760 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -1.209 5.227 6.186 1.00 0.79 H new ATOM 0 HG3 ARG A 37 -1.698 3.907 5.142 1.00 0.79 H new ATOM 0 HD2 ARG A 37 -2.828 2.849 6.803 1.00 0.79 H new ATOM 0 HD3 ARG A 37 -1.542 3.098 7.967 1.00 0.79 H new ATOM 0 HE ARG A 37 -3.180 5.475 7.301 1.00 1.16 H new ATOM 0 HH11 ARG A 37 -2.508 2.785 9.486 1.00 2.45 H new ATOM 0 HH12 ARG A 37 -3.372 3.518 10.842 1.00 2.45 H new ATOM 0 HH21 ARG A 37 -4.287 6.412 9.047 1.00 2.08 H new ATOM 0 HH22 ARG A 37 -4.374 5.563 10.594 1.00 2.08 H new ATOM 480 N LEU A 38 1.336 1.282 3.502 1.00 0.38 N ATOM 481 CA LEU A 38 2.117 1.305 2.274 1.00 0.35 C ATOM 482 C LEU A 38 1.274 1.812 1.122 1.00 0.31 C ATOM 483 O LEU A 38 1.776 2.388 0.158 1.00 0.29 O ATOM 484 CB LEU A 38 2.625 -0.099 1.960 1.00 0.41 C ATOM 485 CG LEU A 38 4.132 -0.295 2.094 1.00 0.46 C ATOM 486 CD1 LEU A 38 4.859 1.020 1.879 1.00 0.40 C ATOM 487 CD2 LEU A 38 4.458 -0.867 3.462 1.00 0.53 C ATOM 0 H LEU A 38 0.974 0.362 3.752 1.00 0.38 H new ATOM 0 HA LEU A 38 2.965 1.976 2.411 1.00 0.35 H new ATOM 0 HB2 LEU A 38 2.124 -0.805 2.622 1.00 0.41 H new ATOM 0 HB3 LEU A 38 2.332 -0.354 0.942 1.00 0.41 H new ATOM 0 HG LEU A 38 4.466 -0.998 1.331 1.00 0.46 H new ATOM 0 HD11 LEU A 38 5.933 0.862 1.978 1.00 0.40 H new ATOM 0 HD12 LEU A 38 4.638 1.399 0.881 1.00 0.40 H new ATOM 0 HD13 LEU A 38 4.528 1.744 2.623 1.00 0.40 H new ATOM 0 HD21 LEU A 38 5.536 -1.005 3.551 1.00 0.53 H new ATOM 0 HD22 LEU A 38 4.115 -0.180 4.235 1.00 0.53 H new ATOM 0 HD23 LEU A 38 3.958 -1.828 3.583 1.00 0.53 H new ATOM 499 N GLU A 39 -0.013 1.585 1.250 1.00 0.32 N ATOM 500 CA GLU A 39 -0.980 2.004 0.241 1.00 0.30 C ATOM 501 C GLU A 39 -0.821 3.489 -0.062 1.00 0.30 C ATOM 502 O GLU A 39 -1.076 3.937 -1.180 1.00 0.31 O ATOM 503 CB GLU A 39 -2.409 1.719 0.711 1.00 0.33 C ATOM 504 CG GLU A 39 -2.502 1.246 2.153 1.00 1.34 C ATOM 505 CD GLU A 39 -1.979 2.272 3.140 1.00 2.04 C ATOM 506 OE1 GLU A 39 -0.862 2.788 2.927 1.00 2.67 O ATOM 507 OE2 GLU A 39 -2.689 2.562 4.126 1.00 2.65 O ATOM 0 H GLU A 39 -0.426 1.107 2.051 1.00 0.32 H new ATOM 0 HA GLU A 39 -0.791 1.434 -0.669 1.00 0.30 H new ATOM 0 HB2 GLU A 39 -3.006 2.624 0.597 1.00 0.33 H new ATOM 0 HB3 GLU A 39 -2.850 0.963 0.062 1.00 0.33 H new ATOM 0 HG2 GLU A 39 -3.541 1.017 2.390 1.00 1.34 H new ATOM 0 HG3 GLU A 39 -1.938 0.320 2.265 1.00 1.34 H new ATOM 514 N ARG A 40 -0.399 4.246 0.945 1.00 0.30 N ATOM 515 CA ARG A 40 -0.207 5.678 0.796 1.00 0.31 C ATOM 516 C ARG A 40 0.863 5.982 -0.245 1.00 0.29 C ATOM 517 O ARG A 40 1.111 7.140 -0.579 1.00 0.32 O ATOM 518 CB ARG A 40 0.170 6.309 2.137 1.00 0.36 C ATOM 519 CG ARG A 40 -0.921 6.197 3.190 1.00 0.82 C ATOM 520 CD ARG A 40 -1.530 7.553 3.507 1.00 1.37 C ATOM 521 NE ARG A 40 -2.989 7.501 3.551 1.00 1.99 N ATOM 522 CZ ARG A 40 -3.768 8.566 3.396 1.00 2.36 C ATOM 523 NH1 ARG A 40 -3.230 9.759 3.188 1.00 2.49 N ATOM 524 NH2 ARG A 40 -5.087 8.438 3.448 1.00 3.13 N ATOM 0 H ARG A 40 -0.184 3.887 1.875 1.00 0.30 H new ATOM 0 HA ARG A 40 -1.148 6.109 0.455 1.00 0.31 H new ATOM 0 HB2 ARG A 40 1.076 5.832 2.512 1.00 0.36 H new ATOM 0 HB3 ARG A 40 0.406 7.362 1.980 1.00 0.36 H new ATOM 0 HG2 ARG A 40 -1.700 5.520 2.838 1.00 0.82 H new ATOM 0 HG3 ARG A 40 -0.507 5.761 4.099 1.00 0.82 H new ATOM 0 HD2 ARG A 40 -1.151 7.905 4.466 1.00 1.37 H new ATOM 0 HD3 ARG A 40 -1.216 8.276 2.755 1.00 1.37 H new ATOM 0 HE ARG A 40 -3.434 6.597 3.709 1.00 1.99 H new ATOM 0 HH11 ARG A 40 -2.216 9.861 3.147 1.00 2.49 H new ATOM 0 HH12 ARG A 40 -3.830 10.575 3.069 1.00 2.49 H new ATOM 0 HH21 ARG A 40 -5.505 7.521 3.607 1.00 3.13 H new ATOM 0 HH22 ARG A 40 -5.684 9.256 3.329 1.00 3.13 H new ATOM 538 N HIS A 41 1.487 4.931 -0.755 1.00 0.27 N ATOM 539 CA HIS A 41 2.530 5.073 -1.765 1.00 0.27 C ATOM 540 C HIS A 41 2.000 4.705 -3.144 1.00 0.27 C ATOM 541 O HIS A 41 2.440 5.250 -4.156 1.00 0.32 O ATOM 542 CB HIS A 41 3.731 4.195 -1.417 1.00 0.31 C ATOM 543 CG HIS A 41 4.419 4.605 -0.154 1.00 0.32 C ATOM 544 ND1 HIS A 41 5.300 5.662 -0.086 1.00 0.32 N ATOM 545 CD2 HIS A 41 4.342 4.101 1.099 1.00 0.34 C ATOM 546 CE1 HIS A 41 5.735 5.789 1.155 1.00 0.34 C ATOM 547 NE2 HIS A 41 5.167 4.855 1.895 1.00 0.35 N ATOM 0 H HIS A 41 1.290 3.967 -0.486 1.00 0.27 H new ATOM 0 HA HIS A 41 2.846 6.116 -1.781 1.00 0.27 H new ATOM 0 HB2 HIS A 41 3.401 3.161 -1.323 1.00 0.31 H new ATOM 0 HB3 HIS A 41 4.446 4.228 -2.239 1.00 0.31 H new ATOM 0 HD1 HIS A 41 5.573 6.254 -0.871 1.00 0.32 H new ATOM 0 HD2 HIS A 41 3.742 3.260 1.415 1.00 0.34 H new ATOM 0 HE1 HIS A 41 6.437 6.532 1.505 1.00 0.34 H new ATOM 556 N LEU A 42 1.045 3.782 -3.176 1.00 0.24 N ATOM 557 CA LEU A 42 0.445 3.341 -4.411 1.00 0.25 C ATOM 558 C LEU A 42 -0.263 4.489 -5.109 1.00 0.25 C ATOM 559 O LEU A 42 -1.137 5.136 -4.533 1.00 0.24 O ATOM 560 CB LEU A 42 -0.555 2.245 -4.098 1.00 0.24 C ATOM 561 CG LEU A 42 -0.070 0.824 -4.353 1.00 0.27 C ATOM 562 CD1 LEU A 42 -1.218 -0.016 -4.871 1.00 0.27 C ATOM 563 CD2 LEU A 42 1.085 0.819 -5.343 1.00 0.31 C ATOM 0 H LEU A 42 0.672 3.325 -2.344 1.00 0.24 H new ATOM 0 HA LEU A 42 1.225 2.968 -5.074 1.00 0.25 H new ATOM 0 HB2 LEU A 42 -0.844 2.329 -3.050 1.00 0.24 H new ATOM 0 HB3 LEU A 42 -1.453 2.416 -4.692 1.00 0.24 H new ATOM 0 HG LEU A 42 0.290 0.399 -3.416 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -0.871 -1.033 -5.054 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -2.019 -0.033 -4.132 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -1.592 0.412 -5.801 1.00 0.27 H new ATOM 0 HD21 LEU A 42 1.416 -0.206 -5.511 1.00 0.31 H new ATOM 0 HD22 LEU A 42 0.757 1.253 -6.287 1.00 0.31 H new ATOM 0 HD23 LEU A 42 1.911 1.406 -4.941 1.00 0.31 H new ATOM 575 N SER A 43 0.101 4.724 -6.362 1.00 0.29 N ATOM 576 CA SER A 43 -0.523 5.777 -7.134 1.00 0.31 C ATOM 577 C SER A 43 -1.967 5.416 -7.425 1.00 0.32 C ATOM 578 O SER A 43 -2.367 4.259 -7.293 1.00 0.31 O ATOM 579 CB SER A 43 0.223 6.008 -8.431 1.00 0.36 C ATOM 580 OG SER A 43 0.737 7.326 -8.504 1.00 0.42 O ATOM 0 H SER A 43 0.822 4.200 -6.859 1.00 0.29 H new ATOM 0 HA SER A 43 -0.491 6.697 -6.551 1.00 0.31 H new ATOM 0 HB2 SER A 43 1.040 5.292 -8.515 1.00 0.36 H new ATOM 0 HB3 SER A 43 -0.445 5.829 -9.274 1.00 0.36 H new ATOM 0 HG SER A 43 1.215 7.444 -9.351 1.00 0.42 H new ATOM 586 N ALA A 44 -2.746 6.404 -7.819 1.00 0.34 N ATOM 587 CA ALA A 44 -4.146 6.180 -8.126 1.00 0.35 C ATOM 588 C ALA A 44 -4.297 5.104 -9.187 1.00 0.37 C ATOM 589 O ALA A 44 -5.245 4.319 -9.166 1.00 0.37 O ATOM 590 CB ALA A 44 -4.799 7.470 -8.586 1.00 0.40 C ATOM 0 H ALA A 44 -2.435 7.368 -7.934 1.00 0.34 H new ATOM 0 HA ALA A 44 -4.646 5.840 -7.219 1.00 0.35 H new ATOM 0 HB1 ALA A 44 -5.849 7.286 -8.813 1.00 0.40 H new ATOM 0 HB2 ALA A 44 -4.724 8.218 -7.796 1.00 0.40 H new ATOM 0 HB3 ALA A 44 -4.294 7.835 -9.480 1.00 0.40 H new ATOM 596 N GLU A 45 -3.348 5.071 -10.110 1.00 0.40 N ATOM 597 CA GLU A 45 -3.354 4.104 -11.169 1.00 0.43 C ATOM 598 C GLU A 45 -2.925 2.757 -10.626 1.00 0.41 C ATOM 599 O GLU A 45 -3.192 1.716 -11.226 1.00 0.42 O ATOM 600 CB GLU A 45 -2.424 4.540 -12.302 1.00 0.48 C ATOM 601 CG GLU A 45 -2.768 5.902 -12.880 1.00 1.08 C ATOM 602 CD GLU A 45 -1.792 6.343 -13.953 1.00 1.58 C ATOM 603 OE1 GLU A 45 -0.827 5.597 -14.221 1.00 2.20 O ATOM 604 OE2 GLU A 45 -1.993 7.435 -14.526 1.00 2.20 O ATOM 0 H GLU A 45 -2.559 5.717 -10.136 1.00 0.40 H new ATOM 0 HA GLU A 45 -4.364 4.025 -11.571 1.00 0.43 H new ATOM 0 HB2 GLU A 45 -1.399 4.560 -11.932 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -2.461 3.797 -13.098 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -3.774 5.871 -13.299 1.00 1.08 H new ATOM 0 HG3 GLU A 45 -2.779 6.641 -12.078 1.00 1.08 H new ATOM 611 N ASP A 46 -2.251 2.786 -9.480 1.00 0.38 N ATOM 612 CA ASP A 46 -1.786 1.575 -8.863 1.00 0.37 C ATOM 613 C ASP A 46 -2.769 1.062 -7.831 1.00 0.33 C ATOM 614 O ASP A 46 -3.001 -0.137 -7.745 1.00 0.34 O ATOM 615 CB ASP A 46 -0.410 1.759 -8.223 1.00 0.37 C ATOM 616 CG ASP A 46 0.695 1.895 -9.252 1.00 0.42 C ATOM 617 OD1 ASP A 46 0.882 3.012 -9.778 1.00 1.11 O ATOM 618 OD2 ASP A 46 1.373 0.884 -9.532 1.00 1.20 O ATOM 0 H ASP A 46 -2.021 3.639 -8.970 1.00 0.38 H new ATOM 0 HA ASP A 46 -1.700 0.834 -9.658 1.00 0.37 H new ATOM 0 HB2 ASP A 46 -0.423 2.646 -7.589 1.00 0.37 H new ATOM 0 HB3 ASP A 46 -0.197 0.908 -7.576 1.00 0.37 H new ATOM 623 N PHE A 47 -3.353 1.959 -7.046 1.00 0.29 N ATOM 624 CA PHE A 47 -4.310 1.528 -6.045 1.00 0.26 C ATOM 625 C PHE A 47 -5.528 0.946 -6.722 1.00 0.28 C ATOM 626 O PHE A 47 -5.999 -0.142 -6.389 1.00 0.29 O ATOM 627 CB PHE A 47 -4.722 2.679 -5.133 1.00 0.26 C ATOM 628 CG PHE A 47 -5.724 2.256 -4.104 1.00 0.25 C ATOM 629 CD1 PHE A 47 -7.058 2.099 -4.443 1.00 1.06 C ATOM 630 CD2 PHE A 47 -5.330 2.000 -2.803 1.00 1.07 C ATOM 631 CE1 PHE A 47 -7.981 1.695 -3.501 1.00 1.06 C ATOM 632 CE2 PHE A 47 -6.248 1.597 -1.856 1.00 1.08 C ATOM 633 CZ PHE A 47 -7.576 1.443 -2.206 1.00 0.29 C ATOM 0 H PHE A 47 -3.184 2.964 -7.083 1.00 0.29 H new ATOM 0 HA PHE A 47 -3.834 0.767 -5.427 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -3.839 3.079 -4.635 1.00 0.26 H new ATOM 0 HB3 PHE A 47 -5.141 3.485 -5.735 1.00 0.26 H new ATOM 0 HD1 PHE A 47 -7.379 2.295 -5.456 1.00 1.06 H new ATOM 0 HD2 PHE A 47 -4.293 2.117 -2.526 1.00 1.07 H new ATOM 0 HE1 PHE A 47 -9.019 1.576 -3.776 1.00 1.06 H new ATOM 0 HE2 PHE A 47 -5.930 1.402 -0.843 1.00 1.08 H new ATOM 0 HZ PHE A 47 -8.296 1.126 -1.467 1.00 0.29 H new ATOM 643 N SER A 48 -6.017 1.695 -7.676 1.00 0.32 N ATOM 644 CA SER A 48 -7.183 1.310 -8.448 1.00 0.37 C ATOM 645 C SER A 48 -6.910 0.068 -9.280 1.00 0.39 C ATOM 646 O SER A 48 -7.818 -0.706 -9.583 1.00 0.41 O ATOM 647 CB SER A 48 -7.637 2.461 -9.348 1.00 0.43 C ATOM 648 OG SER A 48 -8.413 3.400 -8.624 1.00 1.50 O ATOM 0 H SER A 48 -5.620 2.595 -7.945 1.00 0.32 H new ATOM 0 HA SER A 48 -7.983 1.077 -7.745 1.00 0.37 H new ATOM 0 HB2 SER A 48 -6.766 2.957 -9.776 1.00 0.43 H new ATOM 0 HB3 SER A 48 -8.220 2.067 -10.180 1.00 0.43 H new ATOM 0 HG SER A 48 -8.640 3.029 -7.746 1.00 1.50 H new ATOM 654 N ARG A 49 -5.655 -0.113 -9.642 1.00 0.40 N ATOM 655 CA ARG A 49 -5.247 -1.249 -10.431 1.00 0.45 C ATOM 656 C ARG A 49 -4.759 -2.375 -9.538 1.00 0.42 C ATOM 657 O ARG A 49 -4.673 -3.533 -9.947 1.00 0.47 O ATOM 658 CB ARG A 49 -4.156 -0.852 -11.427 1.00 0.50 C ATOM 659 CG ARG A 49 -4.681 -0.092 -12.635 1.00 0.60 C ATOM 660 CD ARG A 49 -4.041 -0.585 -13.924 1.00 0.74 C ATOM 661 NE ARG A 49 -2.757 0.061 -14.179 1.00 0.79 N ATOM 662 CZ ARG A 49 -2.256 0.246 -15.396 1.00 1.35 C ATOM 663 NH1 ARG A 49 -2.929 -0.165 -16.463 1.00 1.69 N ATOM 664 NH2 ARG A 49 -1.081 0.842 -15.549 1.00 2.09 N ATOM 0 H ARG A 49 -4.896 0.522 -9.397 1.00 0.40 H new ATOM 0 HA ARG A 49 -6.114 -1.601 -10.990 1.00 0.45 H new ATOM 0 HB2 ARG A 49 -3.415 -0.237 -10.916 1.00 0.50 H new ATOM 0 HB3 ARG A 49 -3.643 -1.751 -11.769 1.00 0.50 H new ATOM 0 HG2 ARG A 49 -5.763 -0.208 -12.697 1.00 0.60 H new ATOM 0 HG3 ARG A 49 -4.481 0.972 -12.512 1.00 0.60 H new ATOM 0 HD2 ARG A 49 -3.899 -1.664 -13.869 1.00 0.74 H new ATOM 0 HD3 ARG A 49 -4.715 -0.395 -14.759 1.00 0.74 H new ATOM 0 HE ARG A 49 -2.215 0.388 -13.379 1.00 0.79 H new ATOM 0 HH11 ARG A 49 -3.833 -0.624 -16.350 1.00 1.69 H new ATOM 0 HH12 ARG A 49 -2.543 -0.022 -17.396 1.00 1.69 H new ATOM 0 HH21 ARG A 49 -0.560 1.159 -14.732 1.00 2.09 H new ATOM 0 HH22 ARG A 49 -0.699 0.983 -16.484 1.00 2.09 H new ATOM 678 N VAL A 50 -4.427 -2.003 -8.319 1.00 0.36 N ATOM 679 CA VAL A 50 -3.923 -2.924 -7.328 1.00 0.35 C ATOM 680 C VAL A 50 -5.036 -3.555 -6.513 1.00 0.32 C ATOM 681 O VAL A 50 -5.056 -4.766 -6.295 1.00 0.34 O ATOM 682 CB VAL A 50 -2.986 -2.205 -6.360 1.00 0.33 C ATOM 683 CG1 VAL A 50 -2.962 -2.894 -5.016 1.00 0.31 C ATOM 684 CG2 VAL A 50 -1.597 -2.133 -6.942 1.00 0.39 C ATOM 0 H VAL A 50 -4.501 -1.041 -7.987 1.00 0.36 H new ATOM 0 HA VAL A 50 -3.394 -3.705 -7.874 1.00 0.35 H new ATOM 0 HB VAL A 50 -3.359 -1.192 -6.210 1.00 0.33 H new ATOM 0 HG11 VAL A 50 -2.287 -2.361 -4.346 1.00 0.31 H new ATOM 0 HG12 VAL A 50 -3.966 -2.898 -4.591 1.00 0.31 H new ATOM 0 HG13 VAL A 50 -2.616 -3.920 -5.139 1.00 0.31 H new ATOM 0 HG21 VAL A 50 -0.936 -1.618 -6.244 1.00 0.39 H new ATOM 0 HG22 VAL A 50 -1.224 -3.142 -7.118 1.00 0.39 H new ATOM 0 HG23 VAL A 50 -1.625 -1.587 -7.885 1.00 0.39 H new ATOM 694 N PHE A 51 -5.949 -2.718 -6.047 1.00 0.29 N ATOM 695 CA PHE A 51 -7.053 -3.180 -5.235 1.00 0.28 C ATOM 696 C PHE A 51 -8.359 -3.082 -6.007 1.00 0.28 C ATOM 697 O PHE A 51 -9.438 -3.302 -5.456 1.00 0.27 O ATOM 698 CB PHE A 51 -7.144 -2.352 -3.954 1.00 0.27 C ATOM 699 CG PHE A 51 -5.863 -2.310 -3.173 1.00 0.26 C ATOM 700 CD1 PHE A 51 -5.483 -3.388 -2.392 1.00 1.03 C ATOM 701 CD2 PHE A 51 -5.041 -1.193 -3.214 1.00 0.81 C ATOM 702 CE1 PHE A 51 -4.310 -3.356 -1.665 1.00 1.06 C ATOM 703 CE2 PHE A 51 -3.865 -1.154 -2.489 1.00 0.80 C ATOM 704 CZ PHE A 51 -3.500 -2.237 -1.711 1.00 0.30 C ATOM 0 H PHE A 51 -5.943 -1.713 -6.220 1.00 0.29 H new ATOM 0 HA PHE A 51 -6.878 -4.224 -4.975 1.00 0.28 H new ATOM 0 HB2 PHE A 51 -7.437 -1.334 -4.210 1.00 0.27 H new ATOM 0 HB3 PHE A 51 -7.932 -2.762 -3.322 1.00 0.27 H new ATOM 0 HD1 PHE A 51 -6.112 -4.265 -2.351 1.00 1.03 H new ATOM 0 HD2 PHE A 51 -5.323 -0.344 -3.819 1.00 0.81 H new ATOM 0 HE1 PHE A 51 -4.025 -4.205 -1.061 1.00 1.06 H new ATOM 0 HE2 PHE A 51 -3.233 -0.279 -2.530 1.00 0.80 H new ATOM 0 HZ PHE A 51 -2.584 -2.209 -1.140 1.00 0.30 H new ATOM 714 N ALA A 52 -8.254 -2.748 -7.288 1.00 0.31 N ATOM 715 CA ALA A 52 -9.420 -2.620 -8.132 1.00 0.33 C ATOM 716 C ALA A 52 -10.460 -1.733 -7.467 1.00 0.33 C ATOM 717 O ALA A 52 -11.663 -1.978 -7.556 1.00 0.37 O ATOM 718 CB ALA A 52 -9.961 -3.998 -8.422 1.00 0.36 C ATOM 0 H ALA A 52 -7.369 -2.562 -7.759 1.00 0.31 H new ATOM 0 HA ALA A 52 -9.152 -2.144 -9.075 1.00 0.33 H new ATOM 0 HB1 ALA A 52 -10.842 -3.916 -9.059 1.00 0.36 H new ATOM 0 HB2 ALA A 52 -9.199 -4.588 -8.931 1.00 0.36 H new ATOM 0 HB3 ALA A 52 -10.233 -4.486 -7.486 1.00 0.36 H new ATOM 724 N MET A 53 -9.970 -0.695 -6.799 1.00 0.33 N ATOM 725 CA MET A 53 -10.818 0.251 -6.109 1.00 0.36 C ATOM 726 C MET A 53 -10.235 1.653 -6.203 1.00 0.35 C ATOM 727 O MET A 53 -9.020 1.822 -6.305 1.00 0.45 O ATOM 728 CB MET A 53 -10.978 -0.146 -4.640 1.00 0.46 C ATOM 729 CG MET A 53 -12.270 -0.884 -4.340 1.00 0.91 C ATOM 730 SD MET A 53 -12.005 -2.639 -4.023 1.00 1.32 S ATOM 731 CE MET A 53 -10.609 -2.577 -2.902 1.00 0.54 C ATOM 0 H MET A 53 -8.973 -0.492 -6.725 1.00 0.33 H new ATOM 0 HA MET A 53 -11.798 0.242 -6.586 1.00 0.36 H new ATOM 0 HB2 MET A 53 -10.136 -0.775 -4.350 1.00 0.46 H new ATOM 0 HB3 MET A 53 -10.932 0.752 -4.024 1.00 0.46 H new ATOM 0 HG2 MET A 53 -12.751 -0.430 -3.474 1.00 0.91 H new ATOM 0 HG3 MET A 53 -12.954 -0.769 -5.181 1.00 0.91 H new ATOM 0 HE1 MET A 53 -10.350 -3.588 -2.587 1.00 0.54 H new ATOM 0 HE2 MET A 53 -9.756 -2.124 -3.408 1.00 0.54 H new ATOM 0 HE3 MET A 53 -10.871 -1.981 -2.028 1.00 0.54 H new ATOM 741 N SER A 54 -11.098 2.659 -6.159 1.00 0.37 N ATOM 742 CA SER A 54 -10.652 4.035 -6.228 1.00 0.38 C ATOM 743 C SER A 54 -9.873 4.389 -4.975 1.00 0.33 C ATOM 744 O SER A 54 -10.376 4.243 -3.863 1.00 0.39 O ATOM 745 CB SER A 54 -11.846 4.977 -6.391 1.00 0.46 C ATOM 746 OG SER A 54 -12.803 4.769 -5.367 1.00 0.89 O ATOM 0 H SER A 54 -12.108 2.544 -6.076 1.00 0.37 H new ATOM 0 HA SER A 54 -10.002 4.149 -7.095 1.00 0.38 H new ATOM 0 HB2 SER A 54 -11.503 6.011 -6.368 1.00 0.46 H new ATOM 0 HB3 SER A 54 -12.310 4.817 -7.364 1.00 0.46 H new ATOM 0 HG SER A 54 -13.669 5.129 -5.651 1.00 0.89 H new ATOM 752 N PRO A 55 -8.635 4.871 -5.129 1.00 0.37 N ATOM 753 CA PRO A 55 -7.804 5.253 -4.007 1.00 0.36 C ATOM 754 C PRO A 55 -8.660 5.731 -2.851 1.00 0.38 C ATOM 755 O PRO A 55 -8.346 5.535 -1.674 1.00 0.38 O ATOM 756 CB PRO A 55 -6.945 6.387 -4.591 1.00 0.42 C ATOM 757 CG PRO A 55 -7.188 6.367 -6.080 1.00 0.49 C ATOM 758 CD PRO A 55 -7.942 5.108 -6.387 1.00 0.56 C ATOM 0 HA PRO A 55 -7.204 4.438 -3.602 1.00 0.36 H new ATOM 0 HB2 PRO A 55 -7.225 7.349 -4.163 1.00 0.42 H new ATOM 0 HB3 PRO A 55 -5.890 6.233 -4.366 1.00 0.42 H new ATOM 0 HG2 PRO A 55 -7.759 7.243 -6.389 1.00 0.49 H new ATOM 0 HG3 PRO A 55 -6.244 6.393 -6.625 1.00 0.49 H new ATOM 0 HD2 PRO A 55 -8.634 5.237 -7.219 1.00 0.56 H new ATOM 0 HD3 PRO A 55 -7.277 4.285 -6.650 1.00 0.56 H new ATOM 766 N GLU A 56 -9.761 6.340 -3.224 1.00 0.43 N ATOM 767 CA GLU A 56 -10.727 6.850 -2.304 1.00 0.47 C ATOM 768 C GLU A 56 -11.438 5.713 -1.589 1.00 0.44 C ATOM 769 O GLU A 56 -11.581 5.717 -0.366 1.00 0.48 O ATOM 770 CB GLU A 56 -11.744 7.676 -3.072 1.00 0.54 C ATOM 771 CG GLU A 56 -12.231 7.022 -4.356 1.00 0.53 C ATOM 772 CD GLU A 56 -12.085 7.928 -5.562 1.00 0.89 C ATOM 773 OE1 GLU A 56 -11.014 7.894 -6.204 1.00 1.82 O ATOM 774 OE2 GLU A 56 -13.042 8.672 -5.866 1.00 1.28 O ATOM 0 H GLU A 56 -10.008 6.494 -4.202 1.00 0.43 H new ATOM 0 HA GLU A 56 -10.222 7.465 -1.559 1.00 0.47 H new ATOM 0 HB2 GLU A 56 -12.601 7.869 -2.427 1.00 0.54 H new ATOM 0 HB3 GLU A 56 -11.303 8.643 -3.314 1.00 0.54 H new ATOM 0 HG2 GLU A 56 -11.671 6.103 -4.527 1.00 0.53 H new ATOM 0 HG3 GLU A 56 -13.278 6.741 -4.242 1.00 0.53 H new ATOM 781 N GLU A 57 -11.876 4.736 -2.373 1.00 0.39 N ATOM 782 CA GLU A 57 -12.563 3.587 -1.852 1.00 0.39 C ATOM 783 C GLU A 57 -11.918 3.161 -0.559 1.00 0.38 C ATOM 784 O GLU A 57 -12.567 2.694 0.374 1.00 0.45 O ATOM 785 CB GLU A 57 -12.515 2.471 -2.885 1.00 0.37 C ATOM 786 CG GLU A 57 -13.800 2.315 -3.681 1.00 0.43 C ATOM 787 CD GLU A 57 -14.906 1.659 -2.879 1.00 0.59 C ATOM 788 OE1 GLU A 57 -14.736 1.501 -1.652 1.00 1.25 O ATOM 789 OE2 GLU A 57 -15.943 1.304 -3.478 1.00 1.05 O ATOM 0 H GLU A 57 -11.759 4.729 -3.386 1.00 0.39 H new ATOM 0 HA GLU A 57 -13.606 3.828 -1.648 1.00 0.39 H new ATOM 0 HB2 GLU A 57 -11.693 2.662 -3.574 1.00 0.37 H new ATOM 0 HB3 GLU A 57 -12.295 1.530 -2.380 1.00 0.37 H new ATOM 0 HG2 GLU A 57 -14.134 3.296 -4.020 1.00 0.43 H new ATOM 0 HG3 GLU A 57 -13.601 1.720 -4.573 1.00 0.43 H new ATOM 796 N PHE A 58 -10.630 3.359 -0.533 1.00 0.32 N ATOM 797 CA PHE A 58 -9.810 3.042 0.616 1.00 0.31 C ATOM 798 C PHE A 58 -9.911 4.142 1.662 1.00 0.41 C ATOM 799 O PHE A 58 -10.058 3.872 2.854 1.00 0.46 O ATOM 800 CB PHE A 58 -8.352 2.853 0.202 1.00 0.27 C ATOM 801 CG PHE A 58 -7.793 1.524 0.610 1.00 0.22 C ATOM 802 CD1 PHE A 58 -8.507 0.364 0.377 1.00 1.10 C ATOM 803 CD2 PHE A 58 -6.562 1.432 1.234 1.00 1.18 C ATOM 804 CE1 PHE A 58 -8.006 -0.858 0.756 1.00 1.09 C ATOM 805 CE2 PHE A 58 -6.056 0.212 1.613 1.00 1.21 C ATOM 806 CZ PHE A 58 -6.781 -0.931 1.373 1.00 0.29 C ATOM 0 H PHE A 58 -10.107 3.750 -1.317 1.00 0.32 H new ATOM 0 HA PHE A 58 -10.176 2.110 1.046 1.00 0.31 H new ATOM 0 HB2 PHE A 58 -8.271 2.958 -0.880 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -7.749 3.646 0.645 1.00 0.27 H new ATOM 0 HD1 PHE A 58 -9.470 0.419 -0.109 1.00 1.10 H new ATOM 0 HD2 PHE A 58 -5.992 2.329 1.425 1.00 1.18 H new ATOM 0 HE1 PHE A 58 -8.573 -1.758 0.569 1.00 1.09 H new ATOM 0 HE2 PHE A 58 -5.093 0.151 2.097 1.00 1.21 H new ATOM 0 HZ PHE A 58 -6.386 -1.891 1.671 1.00 0.29 H new ATOM 816 N GLY A 59 -9.836 5.386 1.203 1.00 0.44 N ATOM 817 CA GLY A 59 -9.926 6.513 2.109 1.00 0.54 C ATOM 818 C GLY A 59 -11.237 6.529 2.864 1.00 0.60 C ATOM 819 O GLY A 59 -11.441 7.356 3.753 1.00 0.70 O ATOM 0 H GLY A 59 -9.715 5.633 0.221 1.00 0.44 H new ATOM 0 HA2 GLY A 59 -9.099 6.475 2.818 1.00 0.54 H new ATOM 0 HA3 GLY A 59 -9.820 7.440 1.546 1.00 0.54 H new ATOM 823 N LYS A 60 -12.133 5.614 2.505 1.00 0.57 N ATOM 824 CA LYS A 60 -13.423 5.527 3.142 1.00 0.64 C ATOM 825 C LYS A 60 -13.647 4.169 3.793 1.00 0.61 C ATOM 826 O LYS A 60 -14.522 4.013 4.646 1.00 0.67 O ATOM 827 CB LYS A 60 -14.541 5.831 2.144 1.00 0.68 C ATOM 828 CG LYS A 60 -15.390 7.031 2.530 1.00 1.36 C ATOM 829 CD LYS A 60 -15.772 7.858 1.312 1.00 2.35 C ATOM 830 CE LYS A 60 -14.543 8.370 0.579 1.00 2.87 C ATOM 831 NZ LYS A 60 -14.718 8.324 -0.899 1.00 3.91 N ATOM 0 H LYS A 60 -11.978 4.923 1.771 1.00 0.57 H new ATOM 0 HA LYS A 60 -13.443 6.277 3.933 1.00 0.64 H new ATOM 0 HB2 LYS A 60 -14.102 6.007 1.162 1.00 0.68 H new ATOM 0 HB3 LYS A 60 -15.184 4.955 2.053 1.00 0.68 H new ATOM 0 HG2 LYS A 60 -16.293 6.691 3.038 1.00 1.36 H new ATOM 0 HG3 LYS A 60 -14.842 7.654 3.237 1.00 1.36 H new ATOM 0 HD2 LYS A 60 -16.375 7.253 0.635 1.00 2.35 H new ATOM 0 HD3 LYS A 60 -16.389 8.701 1.622 1.00 2.35 H new ATOM 0 HE2 LYS A 60 -14.337 9.395 0.888 1.00 2.87 H new ATOM 0 HE3 LYS A 60 -13.677 7.771 0.861 1.00 2.87 H new ATOM 0 HZ1 LYS A 60 -14.086 9.019 -1.345 1.00 3.91 H new ATOM 0 HZ2 LYS A 60 -14.486 7.372 -1.247 1.00 3.91 H new ATOM 0 HZ3 LYS A 60 -15.705 8.549 -1.139 1.00 3.91 H new ATOM 845 N LEU A 61 -12.856 3.194 3.385 1.00 0.54 N ATOM 846 CA LEU A 61 -12.959 1.847 3.918 1.00 0.52 C ATOM 847 C LEU A 61 -12.624 1.812 5.405 1.00 0.56 C ATOM 848 O LEU A 61 -12.485 2.851 6.049 1.00 0.61 O ATOM 849 CB LEU A 61 -12.026 0.908 3.157 1.00 0.44 C ATOM 850 CG LEU A 61 -12.555 0.428 1.808 1.00 0.43 C ATOM 851 CD1 LEU A 61 -11.404 0.008 0.911 1.00 0.34 C ATOM 852 CD2 LEU A 61 -13.528 -0.722 2.000 1.00 0.55 C ATOM 0 H LEU A 61 -12.129 3.311 2.680 1.00 0.54 H new ATOM 0 HA LEU A 61 -13.990 1.516 3.792 1.00 0.52 H new ATOM 0 HB2 LEU A 61 -11.075 1.416 2.998 1.00 0.44 H new ATOM 0 HB3 LEU A 61 -11.822 0.038 3.781 1.00 0.44 H new ATOM 0 HG LEU A 61 -13.085 1.251 1.328 1.00 0.43 H new ATOM 0 HD11 LEU A 61 -11.795 -0.332 -0.048 1.00 0.34 H new ATOM 0 HD12 LEU A 61 -10.739 0.857 0.751 1.00 0.34 H new ATOM 0 HD13 LEU A 61 -10.850 -0.802 1.385 1.00 0.34 H new ATOM 0 HD21 LEU A 61 -13.896 -1.053 1.029 1.00 0.55 H new ATOM 0 HD22 LEU A 61 -13.020 -1.549 2.497 1.00 0.55 H new ATOM 0 HD23 LEU A 61 -14.367 -0.391 2.612 1.00 0.55 H new ATOM 864 N ALA A 62 -12.488 0.603 5.938 1.00 0.56 N ATOM 865 CA ALA A 62 -12.158 0.414 7.344 1.00 0.61 C ATOM 866 C ALA A 62 -10.720 -0.068 7.494 1.00 0.56 C ATOM 867 O ALA A 62 -9.964 -0.094 6.524 1.00 0.50 O ATOM 868 CB ALA A 62 -13.119 -0.577 7.985 1.00 0.65 C ATOM 0 H ALA A 62 -12.602 -0.264 5.414 1.00 0.56 H new ATOM 0 HA ALA A 62 -12.256 1.372 7.854 1.00 0.61 H new ATOM 0 HB1 ALA A 62 -12.860 -0.708 9.036 1.00 0.65 H new ATOM 0 HB2 ALA A 62 -14.138 -0.198 7.907 1.00 0.65 H new ATOM 0 HB3 ALA A 62 -13.049 -1.536 7.472 1.00 0.65 H new ATOM 874 N LEU A 63 -10.345 -0.450 8.710 1.00 0.61 N ATOM 875 CA LEU A 63 -8.993 -0.931 8.965 1.00 0.59 C ATOM 876 C LEU A 63 -8.868 -2.399 8.604 1.00 0.56 C ATOM 877 O LEU A 63 -7.789 -2.890 8.273 1.00 0.53 O ATOM 878 CB LEU A 63 -8.610 -0.712 10.430 1.00 0.66 C ATOM 879 CG LEU A 63 -7.470 0.281 10.659 1.00 0.71 C ATOM 880 CD1 LEU A 63 -6.211 -0.179 9.940 1.00 0.70 C ATOM 881 CD2 LEU A 63 -7.874 1.672 10.193 1.00 0.78 C ATOM 0 H LEU A 63 -10.953 -0.436 9.529 1.00 0.61 H new ATOM 0 HA LEU A 63 -8.308 -0.361 8.338 1.00 0.59 H new ATOM 0 HB2 LEU A 63 -9.489 -0.363 10.971 1.00 0.66 H new ATOM 0 HB3 LEU A 63 -8.328 -1.672 10.864 1.00 0.66 H new ATOM 0 HG LEU A 63 -7.259 0.324 11.728 1.00 0.71 H new ATOM 0 HD11 LEU A 63 -5.410 0.539 10.114 1.00 0.70 H new ATOM 0 HD12 LEU A 63 -5.911 -1.156 10.320 1.00 0.70 H new ATOM 0 HD13 LEU A 63 -6.408 -0.251 8.870 1.00 0.70 H new ATOM 0 HD21 LEU A 63 -7.051 2.366 10.363 1.00 0.78 H new ATOM 0 HD22 LEU A 63 -8.111 1.645 9.130 1.00 0.78 H new ATOM 0 HD23 LEU A 63 -8.749 2.003 10.752 1.00 0.78 H new ATOM 893 N TRP A 64 -9.989 -3.083 8.667 1.00 0.58 N ATOM 894 CA TRP A 64 -10.052 -4.487 8.356 1.00 0.58 C ATOM 895 C TRP A 64 -10.078 -4.702 6.852 1.00 0.53 C ATOM 896 O TRP A 64 -9.148 -5.270 6.279 1.00 0.50 O ATOM 897 CB TRP A 64 -11.285 -5.116 9.003 1.00 0.64 C ATOM 898 CG TRP A 64 -12.535 -4.324 8.776 1.00 0.66 C ATOM 899 CD1 TRP A 64 -12.960 -3.234 9.480 1.00 0.69 C ATOM 900 CD2 TRP A 64 -13.524 -4.557 7.769 1.00 0.65 C ATOM 901 NE1 TRP A 64 -14.154 -2.783 8.969 1.00 0.70 N ATOM 902 CE2 TRP A 64 -14.517 -3.576 7.925 1.00 0.68 C ATOM 903 CE3 TRP A 64 -13.665 -5.500 6.752 1.00 0.63 C ATOM 904 CZ2 TRP A 64 -15.634 -3.508 7.107 1.00 0.69 C ATOM 905 CZ3 TRP A 64 -14.779 -5.433 5.936 1.00 0.64 C ATOM 906 CH2 TRP A 64 -15.750 -4.440 6.122 1.00 0.67 C ATOM 0 H TRP A 64 -10.884 -2.676 8.937 1.00 0.58 H new ATOM 0 HA TRP A 64 -9.160 -4.969 8.756 1.00 0.58 H new ATOM 0 HB2 TRP A 64 -11.422 -6.122 8.607 1.00 0.64 H new ATOM 0 HB3 TRP A 64 -11.115 -5.216 10.075 1.00 0.64 H new ATOM 0 HD1 TRP A 64 -12.436 -2.792 10.314 1.00 0.69 H new ATOM 0 HE1 TRP A 64 -14.682 -1.983 9.317 1.00 0.70 H new ATOM 0 HE3 TRP A 64 -12.919 -6.267 6.605 1.00 0.63 H new ATOM 0 HZ2 TRP A 64 -16.384 -2.744 7.246 1.00 0.69 H new ATOM 0 HZ3 TRP A 64 -14.903 -6.156 5.144 1.00 0.64 H new ATOM 0 HH2 TRP A 64 -16.610 -4.414 5.469 1.00 0.67 H new ATOM 917 N LYS A 65 -11.141 -4.229 6.211 1.00 0.52 N ATOM 918 CA LYS A 65 -11.267 -4.357 4.774 1.00 0.48 C ATOM 919 C LYS A 65 -9.999 -3.842 4.118 1.00 0.42 C ATOM 920 O LYS A 65 -9.499 -4.420 3.154 1.00 0.42 O ATOM 921 CB LYS A 65 -12.488 -3.584 4.272 1.00 0.49 C ATOM 922 CG LYS A 65 -12.573 -2.171 4.807 1.00 0.51 C ATOM 923 CD LYS A 65 -14.012 -1.679 4.841 1.00 0.66 C ATOM 924 CE LYS A 65 -14.900 -2.488 3.910 1.00 1.09 C ATOM 925 NZ LYS A 65 -16.242 -1.866 3.741 1.00 1.26 N ATOM 0 H LYS A 65 -11.922 -3.756 6.666 1.00 0.52 H new ATOM 0 HA LYS A 65 -11.407 -5.406 4.513 1.00 0.48 H new ATOM 0 HB2 LYS A 65 -12.463 -3.550 3.183 1.00 0.49 H new ATOM 0 HB3 LYS A 65 -13.391 -4.125 4.554 1.00 0.49 H new ATOM 0 HG2 LYS A 65 -12.150 -2.134 5.811 1.00 0.51 H new ATOM 0 HG3 LYS A 65 -11.974 -1.507 4.184 1.00 0.51 H new ATOM 0 HD2 LYS A 65 -14.396 -1.744 5.859 1.00 0.66 H new ATOM 0 HD3 LYS A 65 -14.045 -0.628 4.555 1.00 0.66 H new ATOM 0 HE2 LYS A 65 -14.417 -2.579 2.937 1.00 1.09 H new ATOM 0 HE3 LYS A 65 -15.015 -3.497 4.305 1.00 1.09 H new ATOM 0 HZ1 LYS A 65 -16.651 -2.163 2.832 1.00 1.26 H new ATOM 0 HZ2 LYS A 65 -16.865 -2.169 4.516 1.00 1.26 H new ATOM 0 HZ3 LYS A 65 -16.149 -0.830 3.756 1.00 1.26 H new ATOM 939 N ARG A 66 -9.469 -2.761 4.678 1.00 0.39 N ATOM 940 CA ARG A 66 -8.240 -2.171 4.185 1.00 0.35 C ATOM 941 C ARG A 66 -7.110 -3.184 4.299 1.00 0.34 C ATOM 942 O ARG A 66 -6.290 -3.325 3.391 1.00 0.32 O ATOM 943 CB ARG A 66 -7.901 -0.917 4.989 1.00 0.36 C ATOM 944 CG ARG A 66 -8.402 0.368 4.354 1.00 0.37 C ATOM 945 CD ARG A 66 -7.267 1.349 4.113 1.00 0.39 C ATOM 946 NE ARG A 66 -5.973 0.677 4.049 1.00 0.34 N ATOM 947 CZ ARG A 66 -4.834 1.231 4.453 1.00 0.43 C ATOM 948 NH1 ARG A 66 -4.832 2.463 4.944 1.00 0.51 N ATOM 949 NH2 ARG A 66 -3.698 0.553 4.368 1.00 0.47 N ATOM 0 H ARG A 66 -9.877 -2.277 5.478 1.00 0.39 H new ATOM 0 HA ARG A 66 -8.370 -1.891 3.139 1.00 0.35 H new ATOM 0 HB2 ARG A 66 -8.329 -1.009 5.987 1.00 0.36 H new ATOM 0 HB3 ARG A 66 -6.820 -0.855 5.110 1.00 0.36 H new ATOM 0 HG2 ARG A 66 -8.894 0.140 3.409 1.00 0.37 H new ATOM 0 HG3 ARG A 66 -9.150 0.827 5.000 1.00 0.37 H new ATOM 0 HD2 ARG A 66 -7.443 1.887 3.182 1.00 0.39 H new ATOM 0 HD3 ARG A 66 -7.252 2.091 4.912 1.00 0.39 H new ATOM 0 HE ARG A 66 -5.941 -0.271 3.673 1.00 0.34 H new ATOM 0 HH11 ARG A 66 -5.705 2.986 5.012 1.00 0.51 H new ATOM 0 HH12 ARG A 66 -3.958 2.887 5.254 1.00 0.51 H new ATOM 0 HH21 ARG A 66 -3.697 -0.395 3.992 1.00 0.47 H new ATOM 0 HH22 ARG A 66 -2.825 0.980 4.678 1.00 0.47 H new ATOM 963 N ASN A 67 -7.083 -3.896 5.424 1.00 0.38 N ATOM 964 CA ASN A 67 -6.080 -4.898 5.669 1.00 0.40 C ATOM 965 C ASN A 67 -6.264 -6.084 4.725 1.00 0.41 C ATOM 966 O ASN A 67 -5.294 -6.609 4.178 1.00 0.42 O ATOM 967 CB ASN A 67 -6.179 -5.355 7.119 1.00 0.45 C ATOM 968 CG ASN A 67 -5.149 -4.689 8.010 1.00 0.46 C ATOM 969 OD1 ASN A 67 -4.035 -4.394 7.578 1.00 0.43 O ATOM 970 ND2 ASN A 67 -5.519 -4.445 9.262 1.00 0.55 N ATOM 0 H ASN A 67 -7.758 -3.786 6.181 1.00 0.38 H new ATOM 0 HA ASN A 67 -5.093 -4.473 5.486 1.00 0.40 H new ATOM 0 HB2 ASN A 67 -7.178 -5.137 7.498 1.00 0.45 H new ATOM 0 HB3 ASN A 67 -6.050 -6.436 7.165 1.00 0.45 H new ATOM 0 HD21 ASN A 67 -4.869 -3.996 9.908 1.00 0.55 H new ATOM 0 HD22 ASN A 67 -6.453 -4.707 9.578 1.00 0.55 H new ATOM 977 N GLU A 68 -7.514 -6.506 4.543 1.00 0.44 N ATOM 978 CA GLU A 68 -7.818 -7.628 3.676 1.00 0.47 C ATOM 979 C GLU A 68 -7.475 -7.314 2.229 1.00 0.43 C ATOM 980 O GLU A 68 -7.319 -8.211 1.401 1.00 0.46 O ATOM 981 CB GLU A 68 -9.293 -8.016 3.798 1.00 0.52 C ATOM 982 CG GLU A 68 -9.697 -8.437 5.201 1.00 1.10 C ATOM 983 CD GLU A 68 -10.094 -9.898 5.279 1.00 1.53 C ATOM 984 OE1 GLU A 68 -10.989 -10.313 4.513 1.00 1.82 O ATOM 985 OE2 GLU A 68 -9.510 -10.629 6.108 1.00 2.24 O ATOM 0 H GLU A 68 -8.329 -6.083 4.988 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.205 -8.471 3.994 1.00 0.47 H new ATOM 0 HB2 GLU A 68 -9.909 -7.171 3.490 1.00 0.52 H new ATOM 0 HB3 GLU A 68 -9.504 -8.833 3.108 1.00 0.52 H new ATOM 0 HG2 GLU A 68 -8.868 -8.252 5.885 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.530 -7.819 5.536 1.00 1.10 H new ATOM 992 N LEU A 69 -7.362 -6.032 1.943 1.00 0.37 N ATOM 993 CA LEU A 69 -7.037 -5.565 0.600 1.00 0.33 C ATOM 994 C LEU A 69 -5.541 -5.333 0.452 1.00 0.32 C ATOM 995 O LEU A 69 -4.910 -5.848 -0.470 1.00 0.35 O ATOM 996 CB LEU A 69 -7.801 -4.277 0.292 1.00 0.28 C ATOM 997 CG LEU A 69 -9.319 -4.433 0.251 1.00 0.31 C ATOM 998 CD1 LEU A 69 -9.975 -3.165 -0.270 1.00 0.35 C ATOM 999 CD2 LEU A 69 -9.696 -5.626 -0.608 1.00 0.38 C ATOM 0 H LEU A 69 -7.491 -5.285 2.626 1.00 0.37 H new ATOM 0 HA LEU A 69 -7.335 -6.336 -0.111 1.00 0.33 H new ATOM 0 HB2 LEU A 69 -7.546 -3.530 1.044 1.00 0.28 H new ATOM 0 HB3 LEU A 69 -7.463 -3.890 -0.669 1.00 0.28 H new ATOM 0 HG LEU A 69 -9.680 -4.606 1.265 1.00 0.31 H new ATOM 0 HD11 LEU A 69 -11.057 -3.297 -0.291 1.00 0.35 H new ATOM 0 HD12 LEU A 69 -9.724 -2.330 0.385 1.00 0.35 H new ATOM 0 HD13 LEU A 69 -9.615 -2.957 -1.278 1.00 0.35 H new ATOM 0 HD21 LEU A 69 -10.781 -5.729 -0.631 1.00 0.38 H new ATOM 0 HD22 LEU A 69 -9.324 -5.477 -1.622 1.00 0.38 H new ATOM 0 HD23 LEU A 69 -9.254 -6.530 -0.189 1.00 0.38 H new ATOM 1011 N LYS A 70 -4.980 -4.558 1.369 1.00 0.30 N ATOM 1012 CA LYS A 70 -3.566 -4.260 1.350 1.00 0.31 C ATOM 1013 C LYS A 70 -2.761 -5.538 1.224 1.00 0.38 C ATOM 1014 O LYS A 70 -1.746 -5.582 0.528 1.00 0.41 O ATOM 1015 CB LYS A 70 -3.190 -3.506 2.619 1.00 0.32 C ATOM 1016 CG LYS A 70 -2.485 -4.363 3.656 1.00 0.40 C ATOM 1017 CD LYS A 70 -2.517 -3.713 5.029 1.00 0.38 C ATOM 1018 CE LYS A 70 -2.093 -2.254 4.965 1.00 0.78 C ATOM 1019 NZ LYS A 70 -2.514 -1.500 6.177 1.00 0.99 N ATOM 0 H LYS A 70 -5.491 -4.124 2.138 1.00 0.30 H new ATOM 0 HA LYS A 70 -3.339 -3.633 0.487 1.00 0.31 H new ATOM 0 HB2 LYS A 70 -2.545 -2.668 2.355 1.00 0.32 H new ATOM 0 HB3 LYS A 70 -4.093 -3.086 3.062 1.00 0.32 H new ATOM 0 HG2 LYS A 70 -2.961 -5.343 3.705 1.00 0.40 H new ATOM 0 HG3 LYS A 70 -1.451 -4.526 3.353 1.00 0.40 H new ATOM 0 HD2 LYS A 70 -3.523 -3.783 5.442 1.00 0.38 H new ATOM 0 HD3 LYS A 70 -1.856 -4.256 5.705 1.00 0.38 H new ATOM 0 HE2 LYS A 70 -1.010 -2.195 4.859 1.00 0.78 H new ATOM 0 HE3 LYS A 70 -2.526 -1.789 4.079 1.00 0.78 H new ATOM 0 HZ1 LYS A 70 -1.929 -0.646 6.275 1.00 0.99 H new ATOM 0 HZ2 LYS A 70 -3.513 -1.227 6.086 1.00 0.99 H new ATOM 0 HZ3 LYS A 70 -2.394 -2.100 7.018 1.00 0.99 H new ATOM 1033 N LYS A 71 -3.232 -6.584 1.888 1.00 0.41 N ATOM 1034 CA LYS A 71 -2.566 -7.866 1.831 1.00 0.49 C ATOM 1035 C LYS A 71 -2.673 -8.433 0.433 1.00 0.51 C ATOM 1036 O LYS A 71 -1.839 -9.224 -0.006 1.00 0.57 O ATOM 1037 CB LYS A 71 -3.155 -8.838 2.855 1.00 0.54 C ATOM 1038 CG LYS A 71 -2.174 -9.246 3.942 1.00 1.14 C ATOM 1039 CD LYS A 71 -2.884 -9.891 5.121 1.00 1.44 C ATOM 1040 CE LYS A 71 -4.364 -9.542 5.139 1.00 1.76 C ATOM 1041 NZ LYS A 71 -5.118 -10.369 6.121 1.00 2.27 N ATOM 0 H LYS A 71 -4.070 -6.565 2.469 1.00 0.41 H new ATOM 0 HA LYS A 71 -1.514 -7.724 2.078 1.00 0.49 H new ATOM 0 HB2 LYS A 71 -4.028 -8.379 3.319 1.00 0.54 H new ATOM 0 HB3 LYS A 71 -3.503 -9.732 2.337 1.00 0.54 H new ATOM 0 HG2 LYS A 71 -1.443 -9.942 3.531 1.00 1.14 H new ATOM 0 HG3 LYS A 71 -1.623 -8.370 4.283 1.00 1.14 H new ATOM 0 HD2 LYS A 71 -2.765 -10.973 5.071 1.00 1.44 H new ATOM 0 HD3 LYS A 71 -2.420 -9.562 6.051 1.00 1.44 H new ATOM 0 HE2 LYS A 71 -4.485 -8.487 5.384 1.00 1.76 H new ATOM 0 HE3 LYS A 71 -4.783 -9.688 4.144 1.00 1.76 H new ATOM 0 HZ1 LYS A 71 -6.123 -10.100 6.102 1.00 2.27 H new ATOM 0 HZ2 LYS A 71 -5.024 -11.375 5.873 1.00 2.27 H new ATOM 0 HZ3 LYS A 71 -4.735 -10.211 7.075 1.00 2.27 H new ATOM 1055 N LYS A 72 -3.702 -7.994 -0.263 1.00 0.47 N ATOM 1056 CA LYS A 72 -3.938 -8.412 -1.621 1.00 0.49 C ATOM 1057 C LYS A 72 -2.914 -7.766 -2.530 1.00 0.49 C ATOM 1058 O LYS A 72 -2.622 -8.252 -3.623 1.00 0.54 O ATOM 1059 CB LYS A 72 -5.356 -8.051 -2.066 1.00 0.46 C ATOM 1060 CG LYS A 72 -6.287 -9.249 -2.163 1.00 0.79 C ATOM 1061 CD LYS A 72 -7.588 -9.005 -1.416 1.00 0.86 C ATOM 1062 CE LYS A 72 -7.726 -9.934 -0.220 1.00 1.11 C ATOM 1063 NZ LYS A 72 -8.151 -11.302 -0.626 1.00 1.81 N ATOM 0 H LYS A 72 -4.394 -7.339 0.100 1.00 0.47 H new ATOM 0 HA LYS A 72 -3.839 -9.496 -1.680 1.00 0.49 H new ATOM 0 HB2 LYS A 72 -5.776 -7.331 -1.364 1.00 0.46 H new ATOM 0 HB3 LYS A 72 -5.309 -7.559 -3.037 1.00 0.46 H new ATOM 0 HG2 LYS A 72 -6.502 -9.460 -3.211 1.00 0.79 H new ATOM 0 HG3 LYS A 72 -5.792 -10.130 -1.755 1.00 0.79 H new ATOM 0 HD2 LYS A 72 -7.627 -7.969 -1.080 1.00 0.86 H new ATOM 0 HD3 LYS A 72 -8.430 -9.153 -2.092 1.00 0.86 H new ATOM 0 HE2 LYS A 72 -6.774 -9.991 0.307 1.00 1.11 H new ATOM 0 HE3 LYS A 72 -8.453 -9.520 0.479 1.00 1.11 H new ATOM 0 HZ1 LYS A 72 -8.234 -11.905 0.218 1.00 1.81 H new ATOM 0 HZ2 LYS A 72 -9.072 -11.251 -1.107 1.00 1.81 H new ATOM 0 HZ3 LYS A 72 -7.445 -11.707 -1.273 1.00 1.81 H new ATOM 1077 N ALA A 73 -2.370 -6.665 -2.045 1.00 0.44 N ATOM 1078 CA ALA A 73 -1.367 -5.917 -2.762 1.00 0.45 C ATOM 1079 C ALA A 73 0.016 -6.151 -2.162 1.00 0.49 C ATOM 1080 O ALA A 73 1.033 -5.866 -2.795 1.00 0.54 O ATOM 1081 CB ALA A 73 -1.709 -4.436 -2.755 1.00 0.40 C ATOM 0 H ALA A 73 -2.616 -6.267 -1.139 1.00 0.44 H new ATOM 0 HA ALA A 73 -1.351 -6.266 -3.795 1.00 0.45 H new ATOM 0 HB1 ALA A 73 -0.944 -3.883 -3.300 1.00 0.40 H new ATOM 0 HB2 ALA A 73 -2.676 -4.284 -3.234 1.00 0.40 H new ATOM 0 HB3 ALA A 73 -1.753 -4.078 -1.727 1.00 0.40 H new ATOM 1087 N SER A 74 0.048 -6.672 -0.936 1.00 0.50 N ATOM 1088 CA SER A 74 1.308 -6.940 -0.255 1.00 0.55 C ATOM 1089 C SER A 74 1.836 -5.681 0.423 1.00 0.52 C ATOM 1090 O SER A 74 2.966 -5.651 0.910 1.00 0.57 O ATOM 1091 CB SER A 74 2.345 -7.473 -1.246 1.00 0.62 C ATOM 1092 OG SER A 74 2.792 -8.764 -0.870 1.00 1.13 O ATOM 0 H SER A 74 -0.783 -6.915 -0.398 1.00 0.50 H new ATOM 0 HA SER A 74 1.126 -7.695 0.510 1.00 0.55 H new ATOM 0 HB2 SER A 74 1.912 -7.511 -2.245 1.00 0.62 H new ATOM 0 HB3 SER A 74 3.193 -6.790 -1.292 1.00 0.62 H new ATOM 0 HG SER A 74 3.453 -9.084 -1.520 1.00 1.13 H new ATOM 1098 N LEU A 75 1.007 -4.642 0.451 1.00 0.46 N ATOM 1099 CA LEU A 75 1.385 -3.377 1.068 1.00 0.44 C ATOM 1100 C LEU A 75 1.231 -3.448 2.584 1.00 0.47 C ATOM 1101 O LEU A 75 1.696 -2.568 3.308 1.00 0.65 O ATOM 1102 CB LEU A 75 0.531 -2.239 0.505 1.00 0.39 C ATOM 1103 CG LEU A 75 0.464 -2.180 -1.022 1.00 0.39 C ATOM 1104 CD1 LEU A 75 -0.091 -0.842 -1.486 1.00 0.40 C ATOM 1105 CD2 LEU A 75 1.841 -2.424 -1.621 1.00 0.47 C ATOM 0 H LEU A 75 0.068 -4.652 0.053 1.00 0.46 H new ATOM 0 HA LEU A 75 2.432 -3.182 0.837 1.00 0.44 H new ATOM 0 HB2 LEU A 75 -0.482 -2.337 0.895 1.00 0.39 H new ATOM 0 HB3 LEU A 75 0.925 -1.292 0.874 1.00 0.39 H new ATOM 0 HG LEU A 75 -0.209 -2.965 -1.367 1.00 0.39 H new ATOM 0 HD11 LEU A 75 -0.130 -0.822 -2.575 1.00 0.40 H new ATOM 0 HD12 LEU A 75 -1.095 -0.706 -1.085 1.00 0.40 H new ATOM 0 HD13 LEU A 75 0.554 -0.038 -1.131 1.00 0.40 H new ATOM 0 HD21 LEU A 75 1.778 -2.379 -2.708 1.00 0.47 H new ATOM 0 HD22 LEU A 75 2.533 -1.660 -1.266 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.200 -3.408 -1.319 1.00 0.47 H new ATOM 1117 N PHE A 76 0.576 -4.504 3.056 1.00 0.43 N ATOM 1118 CA PHE A 76 0.358 -4.695 4.483 1.00 0.45 C ATOM 1119 C PHE A 76 1.649 -4.479 5.266 1.00 0.52 C ATOM 1120 O PHE A 76 1.649 -3.630 6.182 1.00 1.37 O ATOM 1121 CB PHE A 76 -0.187 -6.099 4.752 1.00 0.46 C ATOM 1122 CG PHE A 76 -0.974 -6.205 6.027 1.00 0.46 C ATOM 1123 CD1 PHE A 76 -0.347 -6.074 7.256 1.00 1.23 C ATOM 1124 CD2 PHE A 76 -2.341 -6.436 5.997 1.00 1.30 C ATOM 1125 CE1 PHE A 76 -1.068 -6.170 8.431 1.00 1.26 C ATOM 1126 CE2 PHE A 76 -3.066 -6.534 7.169 1.00 1.28 C ATOM 1127 CZ PHE A 76 -2.430 -6.401 8.387 1.00 0.49 C ATOM 1128 OXT PHE A 76 2.649 -5.161 4.957 1.00 1.04 O ATOM 0 H PHE A 76 0.187 -5.241 2.468 1.00 0.43 H new ATOM 0 HA PHE A 76 -0.373 -3.958 4.815 1.00 0.45 H new ATOM 0 HB2 PHE A 76 -0.821 -6.400 3.918 1.00 0.46 H new ATOM 0 HB3 PHE A 76 0.645 -6.802 4.789 1.00 0.46 H new ATOM 0 HD1 PHE A 76 0.717 -5.895 7.296 1.00 1.23 H new ATOM 0 HD2 PHE A 76 -2.844 -6.540 5.047 1.00 1.30 H new ATOM 0 HE1 PHE A 76 -0.568 -6.065 9.382 1.00 1.26 H new ATOM 0 HE2 PHE A 76 -4.130 -6.715 7.132 1.00 1.28 H new ATOM 0 HZ PHE A 76 -2.996 -6.477 9.304 1.00 0.49 H new TER 1138 PHE A 76