USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 596 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 1 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.3) USER MOD Single : A 1 HIS N :NH3+ -155:sc= 0.0479 (180deg=-0.223) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= -0.0278 (180deg=-0.226) USER MOD Single : A 8 TYR OH : rot -38:sc= 1.52 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.913 K(o=0.91,f=-0.65) USER MOD Single : A 17 ASN : amide:sc= -0.328 K(o=-0.33,f=-3.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.328 F(o=-1.7,f=-0.33) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.064) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc=-0.00429 (180deg=-0.0894) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -1.05 F(o=-1.7,f=-1) USER MOD Single : A 38 THR OG1 : rot -170:sc= 0.357 USER MOD Single : A 39 ASN : amide:sc= -3.18! C(o=-3.2!,f=-5.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.06) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc=-0.00523 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= -0.12 (180deg=-0.167) USER MOD Single : A 67 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.38) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.378 2.139 -0.772 1.00 53.01 N ATOM 2 CA HIS A 1 0.527 1.564 -1.761 1.00 3.54 C ATOM 3 C HIS A 1 0.000 0.225 -2.266 1.00 65.22 C ATOM 4 O HIS A 1 0.236 -0.153 -3.413 1.00 44.45 O ATOM 5 CB HIS A 1 1.922 1.384 -1.161 1.00 63.23 C ATOM 6 CG HIS A 1 1.978 0.356 -0.073 1.00 42.13 C ATOM 7 ND1 HIS A 1 1.595 0.614 1.226 1.00 4.11 N ATOM 8 CD2 HIS A 1 2.374 -0.938 -0.097 1.00 72.25 C ATOM 9 CE1 HIS A 1 1.755 -0.476 1.954 1.00 33.44 C ATOM 10 NE2 HIS A 1 2.225 -1.433 1.175 1.00 65.12 N ATOM 0 H1 HIS A 1 -0.261 3.172 -0.753 1.00 53.01 H new ATOM 0 H2 HIS A 1 -1.360 1.906 -1.023 1.00 53.01 H new ATOM 0 H3 HIS A 1 -0.159 1.749 0.167 1.00 53.01 H new ATOM 0 HA HIS A 1 0.588 2.251 -2.605 1.00 3.54 H new ATOM 0 HB2 HIS A 1 2.615 1.101 -1.953 1.00 63.23 H new ATOM 0 HB3 HIS A 1 2.264 2.340 -0.764 1.00 63.23 H new ATOM 0 HD2 HIS A 1 2.739 -1.480 -0.957 1.00 72.25 H new ATOM 0 HE1 HIS A 1 1.538 -0.569 3.008 1.00 33.44 H new ATOM 0 HE2 HIS A 1 2.442 -2.385 1.470 1.00 65.12 H new ATOM 18 N MET A 2 -0.713 -0.489 -1.402 1.00 20.33 N ATOM 19 CA MET A 2 -1.273 -1.787 -1.762 1.00 12.35 C ATOM 20 C MET A 2 -2.294 -1.645 -2.886 1.00 32.10 C ATOM 21 O MET A 2 -3.266 -0.898 -2.765 1.00 73.32 O ATOM 22 CB MET A 2 -1.927 -2.440 -0.542 1.00 53.43 C ATOM 23 CG MET A 2 -0.939 -3.141 0.375 1.00 3.10 C ATOM 24 SD MET A 2 -1.672 -4.536 1.250 1.00 34.21 S ATOM 25 CE MET A 2 -1.584 -5.809 -0.007 1.00 53.43 C ATOM 0 H MET A 2 -0.917 -0.191 -0.448 1.00 20.33 H new ATOM 0 HA MET A 2 -0.459 -2.422 -2.112 1.00 12.35 H new ATOM 0 HB2 MET A 2 -2.459 -1.677 0.026 1.00 53.43 H new ATOM 0 HB3 MET A 2 -2.670 -3.162 -0.881 1.00 53.43 H new ATOM 0 HG2 MET A 2 -0.090 -3.491 -0.212 1.00 3.10 H new ATOM 0 HG3 MET A 2 -0.552 -2.425 1.100 1.00 3.10 H new ATOM 0 HE1 MET A 2 -2.001 -6.737 0.385 1.00 53.43 H new ATOM 0 HE2 MET A 2 -2.153 -5.496 -0.882 1.00 53.43 H new ATOM 0 HE3 MET A 2 -0.544 -5.970 -0.289 1.00 53.43 H new ATOM 35 N LEU A 3 -2.068 -2.365 -3.979 1.00 24.52 N ATOM 36 CA LEU A 3 -2.968 -2.320 -5.126 1.00 11.23 C ATOM 37 C LEU A 3 -4.142 -3.274 -4.934 1.00 72.54 C ATOM 38 O LEU A 3 -4.010 -4.316 -4.293 1.00 63.52 O ATOM 39 CB LEU A 3 -2.212 -2.674 -6.407 1.00 42.23 C ATOM 40 CG LEU A 3 -1.635 -4.088 -6.478 1.00 33.34 C ATOM 41 CD1 LEU A 3 -2.666 -5.058 -7.034 1.00 53.23 C ATOM 42 CD2 LEU A 3 -0.371 -4.107 -7.324 1.00 61.40 C ATOM 0 H LEU A 3 -1.268 -2.988 -4.095 1.00 24.52 H new ATOM 0 HA LEU A 3 -3.358 -1.306 -5.211 1.00 11.23 H new ATOM 0 HB2 LEU A 3 -2.886 -2.535 -7.253 1.00 42.23 H new ATOM 0 HB3 LEU A 3 -1.395 -1.963 -6.531 1.00 42.23 H new ATOM 0 HG LEU A 3 -1.376 -4.405 -5.468 1.00 33.34 H new ATOM 0 HD11 LEU A 3 -2.237 -6.059 -7.077 1.00 53.23 H new ATOM 0 HD12 LEU A 3 -3.543 -5.066 -6.387 1.00 53.23 H new ATOM 0 HD13 LEU A 3 -2.957 -4.744 -8.037 1.00 53.23 H new ATOM 0 HD21 LEU A 3 0.025 -5.122 -7.363 1.00 61.40 H new ATOM 0 HD22 LEU A 3 -0.604 -3.769 -8.334 1.00 61.40 H new ATOM 0 HD23 LEU A 3 0.373 -3.444 -6.882 1.00 61.40 H new ATOM 54 N ALA A 4 -5.290 -2.912 -5.497 1.00 35.11 N ATOM 55 CA ALA A 4 -6.487 -3.738 -5.392 1.00 22.30 C ATOM 56 C ALA A 4 -6.517 -4.802 -6.484 1.00 50.24 C ATOM 57 O ALA A 4 -6.147 -4.541 -7.630 1.00 32.45 O ATOM 58 CB ALA A 4 -7.735 -2.871 -5.462 1.00 61.12 C ATOM 0 H ALA A 4 -5.417 -2.052 -6.031 1.00 35.11 H new ATOM 0 HA ALA A 4 -6.465 -4.245 -4.427 1.00 22.30 H new ATOM 0 HB1 ALA A 4 -8.621 -3.501 -5.382 1.00 61.12 H new ATOM 0 HB2 ALA A 4 -7.726 -2.153 -4.642 1.00 61.12 H new ATOM 0 HB3 ALA A 4 -7.754 -2.337 -6.412 1.00 61.12 H new ATOM 64 N LYS A 5 -6.959 -6.002 -6.123 1.00 52.45 N ATOM 65 CA LYS A 5 -7.039 -7.106 -7.073 1.00 3.35 C ATOM 66 C LYS A 5 -7.924 -6.740 -8.259 1.00 75.33 C ATOM 67 O LYS A 5 -9.122 -6.505 -8.102 1.00 20.33 O ATOM 68 CB LYS A 5 -7.582 -8.359 -6.384 1.00 34.44 C ATOM 69 CG LYS A 5 -6.510 -9.193 -5.704 1.00 33.24 C ATOM 70 CD LYS A 5 -6.082 -8.579 -4.381 1.00 65.44 C ATOM 71 CE LYS A 5 -4.983 -9.396 -3.718 1.00 43.43 C ATOM 72 NZ LYS A 5 -5.414 -10.796 -3.455 1.00 72.42 N ATOM 0 H LYS A 5 -7.267 -6.235 -5.179 1.00 52.45 H new ATOM 0 HA LYS A 5 -6.034 -7.309 -7.442 1.00 3.35 H new ATOM 0 HB2 LYS A 5 -8.324 -8.063 -5.643 1.00 34.44 H new ATOM 0 HB3 LYS A 5 -8.096 -8.975 -7.122 1.00 34.44 H new ATOM 0 HG2 LYS A 5 -6.886 -10.202 -5.533 1.00 33.24 H new ATOM 0 HG3 LYS A 5 -5.645 -9.282 -6.362 1.00 33.24 H new ATOM 0 HD2 LYS A 5 -5.730 -7.561 -4.548 1.00 65.44 H new ATOM 0 HD3 LYS A 5 -6.941 -8.514 -3.714 1.00 65.44 H new ATOM 0 HE2 LYS A 5 -4.100 -9.402 -4.357 1.00 43.43 H new ATOM 0 HE3 LYS A 5 -4.695 -8.923 -2.779 1.00 43.43 H new ATOM 0 HZ1 LYS A 5 -4.726 -11.259 -2.828 1.00 72.42 H new ATOM 0 HZ2 LYS A 5 -6.349 -10.792 -3.000 1.00 72.42 H new ATOM 0 HZ3 LYS A 5 -5.469 -11.317 -4.353 1.00 72.42 H new ATOM 86 N GLU A 6 -7.327 -6.696 -9.446 1.00 74.03 N ATOM 87 CA GLU A 6 -8.064 -6.360 -10.659 1.00 40.10 C ATOM 88 C GLU A 6 -8.834 -7.570 -11.181 1.00 43.30 C ATOM 89 O GLU A 6 -8.329 -8.693 -11.168 1.00 13.31 O ATOM 90 CB GLU A 6 -7.108 -5.846 -11.737 1.00 64.13 C ATOM 91 CG GLU A 6 -6.123 -4.805 -11.232 1.00 21.24 C ATOM 92 CD GLU A 6 -5.562 -3.943 -12.346 1.00 1.02 C ATOM 93 OE1 GLU A 6 -4.328 -3.946 -12.535 1.00 3.44 O ATOM 94 OE2 GLU A 6 -6.358 -3.266 -13.029 1.00 53.31 O ATOM 0 H GLU A 6 -6.336 -6.889 -9.594 1.00 74.03 H new ATOM 0 HA GLU A 6 -8.779 -5.575 -10.413 1.00 40.10 H new ATOM 0 HB2 GLU A 6 -6.553 -6.688 -12.150 1.00 64.13 H new ATOM 0 HB3 GLU A 6 -7.690 -5.417 -12.553 1.00 64.13 H new ATOM 0 HG2 GLU A 6 -6.618 -4.168 -10.499 1.00 21.24 H new ATOM 0 HG3 GLU A 6 -5.303 -5.306 -10.717 1.00 21.24 H new ATOM 101 N ASP A 7 -10.058 -7.332 -11.639 1.00 43.23 N ATOM 102 CA ASP A 7 -10.898 -8.401 -12.166 1.00 40.23 C ATOM 103 C ASP A 7 -10.551 -8.698 -13.622 1.00 4.52 C ATOM 104 O ASP A 7 -10.075 -7.824 -14.348 1.00 13.13 O ATOM 105 CB ASP A 7 -12.375 -8.022 -12.049 1.00 32.44 C ATOM 106 CG ASP A 7 -12.689 -7.314 -10.746 1.00 13.24 C ATOM 107 OD1 ASP A 7 -12.993 -8.007 -9.752 1.00 53.43 O ATOM 108 OD2 ASP A 7 -12.632 -6.066 -10.719 1.00 61.34 O ATOM 0 H ASP A 7 -10.491 -6.408 -11.656 1.00 43.23 H new ATOM 0 HA ASP A 7 -10.713 -9.299 -11.577 1.00 40.23 H new ATOM 0 HB2 ASP A 7 -12.649 -7.378 -12.884 1.00 32.44 H new ATOM 0 HB3 ASP A 7 -12.985 -8.922 -12.127 1.00 32.44 H new ATOM 113 N TYR A 8 -10.790 -9.935 -14.041 1.00 42.02 N ATOM 114 CA TYR A 8 -10.499 -10.348 -15.409 1.00 30.11 C ATOM 115 C TYR A 8 -11.233 -9.464 -16.413 1.00 5.22 C ATOM 116 O TYR A 8 -10.799 -9.309 -17.555 1.00 24.34 O ATOM 117 CB TYR A 8 -10.894 -11.811 -15.617 1.00 71.10 C ATOM 118 CG TYR A 8 -10.383 -12.736 -14.536 1.00 23.02 C ATOM 119 CD1 TYR A 8 -11.194 -13.732 -14.006 1.00 23.30 C ATOM 120 CD2 TYR A 8 -9.089 -12.613 -14.043 1.00 74.32 C ATOM 121 CE1 TYR A 8 -10.731 -14.579 -13.017 1.00 71.45 C ATOM 122 CE2 TYR A 8 -8.618 -13.457 -13.056 1.00 50.20 C ATOM 123 CZ TYR A 8 -9.443 -14.438 -12.546 1.00 44.02 C ATOM 124 OH TYR A 8 -8.977 -15.279 -11.562 1.00 32.23 O ATOM 0 H TYR A 8 -11.184 -10.670 -13.453 1.00 42.02 H new ATOM 0 HA TYR A 8 -9.427 -10.241 -15.574 1.00 30.11 H new ATOM 0 HB2 TYR A 8 -11.981 -11.882 -15.661 1.00 71.10 H new ATOM 0 HB3 TYR A 8 -10.513 -12.148 -16.581 1.00 71.10 H new ATOM 0 HD1 TYR A 8 -12.203 -13.846 -14.373 1.00 23.30 H new ATOM 0 HD2 TYR A 8 -8.441 -11.845 -14.438 1.00 74.32 H new ATOM 0 HE1 TYR A 8 -11.375 -15.347 -12.615 1.00 71.45 H new ATOM 0 HE2 TYR A 8 -7.609 -13.349 -12.686 1.00 50.20 H new ATOM 0 HH TYR A 8 -9.692 -15.452 -10.914 1.00 32.23 H new ATOM 134 N TYR A 9 -12.346 -8.885 -15.978 1.00 33.20 N ATOM 135 CA TYR A 9 -13.142 -8.017 -16.838 1.00 35.34 C ATOM 136 C TYR A 9 -12.301 -6.865 -17.378 1.00 20.03 C ATOM 137 O TYR A 9 -12.315 -6.581 -18.575 1.00 11.30 O ATOM 138 CB TYR A 9 -14.346 -7.468 -16.069 1.00 62.33 C ATOM 139 CG TYR A 9 -15.229 -8.544 -15.478 1.00 4.12 C ATOM 140 CD1 TYR A 9 -15.200 -8.824 -14.117 1.00 50.52 C ATOM 141 CD2 TYR A 9 -16.092 -9.280 -16.280 1.00 31.12 C ATOM 142 CE1 TYR A 9 -16.004 -9.806 -13.573 1.00 13.12 C ATOM 143 CE2 TYR A 9 -16.901 -10.263 -15.744 1.00 31.41 C ATOM 144 CZ TYR A 9 -16.853 -10.523 -14.390 1.00 52.10 C ATOM 145 OH TYR A 9 -17.657 -11.501 -13.851 1.00 60.34 O ATOM 0 H TYR A 9 -12.718 -9.001 -15.035 1.00 33.20 H new ATOM 0 HA TYR A 9 -13.497 -8.610 -17.681 1.00 35.34 H new ATOM 0 HB2 TYR A 9 -13.990 -6.821 -15.267 1.00 62.33 H new ATOM 0 HB3 TYR A 9 -14.942 -6.848 -16.738 1.00 62.33 H new ATOM 0 HD1 TYR A 9 -14.537 -8.264 -13.474 1.00 50.52 H new ATOM 0 HD2 TYR A 9 -16.131 -9.080 -17.341 1.00 31.12 H new ATOM 0 HE1 TYR A 9 -15.968 -10.012 -12.513 1.00 13.12 H new ATOM 0 HE2 TYR A 9 -17.567 -10.825 -16.381 1.00 31.41 H new ATOM 0 HH TYR A 9 -18.195 -11.910 -14.561 1.00 60.34 H new ATOM 155 N GLN A 10 -11.569 -6.207 -16.485 1.00 42.51 N ATOM 156 CA GLN A 10 -10.721 -5.085 -16.871 1.00 63.14 C ATOM 157 C GLN A 10 -9.467 -5.573 -17.589 1.00 43.14 C ATOM 158 O GLN A 10 -8.931 -4.885 -18.459 1.00 62.30 O ATOM 159 CB GLN A 10 -10.331 -4.265 -15.640 1.00 74.02 C ATOM 160 CG GLN A 10 -11.484 -3.469 -15.050 1.00 31.11 C ATOM 161 CD GLN A 10 -12.322 -4.284 -14.084 1.00 5.32 C ATOM 162 OE1 GLN A 10 -13.488 -4.577 -14.350 1.00 4.24 O ATOM 163 NE2 GLN A 10 -11.730 -4.655 -12.954 1.00 41.44 N ATOM 0 H GLN A 10 -11.546 -6.431 -15.490 1.00 42.51 H new ATOM 0 HA GLN A 10 -11.287 -4.453 -17.555 1.00 63.14 H new ATOM 0 HB2 GLN A 10 -9.935 -4.936 -14.877 1.00 74.02 H new ATOM 0 HB3 GLN A 10 -9.527 -3.580 -15.910 1.00 74.02 H new ATOM 0 HG2 GLN A 10 -11.090 -2.594 -14.534 1.00 31.11 H new ATOM 0 HG3 GLN A 10 -12.119 -3.104 -15.857 1.00 31.11 H new ATOM 0 HE21 GLN A 10 -10.762 -4.390 -12.775 1.00 41.44 H new ATOM 0 HE22 GLN A 10 -12.244 -5.205 -12.266 1.00 41.44 H new ATOM 172 N ILE A 11 -9.004 -6.762 -17.220 1.00 33.43 N ATOM 173 CA ILE A 11 -7.814 -7.342 -17.829 1.00 42.23 C ATOM 174 C ILE A 11 -8.046 -7.649 -19.305 1.00 3.41 C ATOM 175 O ILE A 11 -7.099 -7.736 -20.088 1.00 73.44 O ATOM 176 CB ILE A 11 -7.384 -8.634 -17.109 1.00 55.32 C ATOM 177 CG1 ILE A 11 -7.118 -8.354 -15.629 1.00 1.22 C ATOM 178 CG2 ILE A 11 -6.150 -9.225 -17.773 1.00 4.31 C ATOM 179 CD1 ILE A 11 -6.945 -9.606 -14.799 1.00 33.45 C ATOM 0 H ILE A 11 -9.435 -7.343 -16.501 1.00 33.43 H new ATOM 0 HA ILE A 11 -7.019 -6.602 -17.734 1.00 42.23 H new ATOM 0 HB ILE A 11 -8.194 -9.360 -17.182 1.00 55.32 H new ATOM 0 HG12 ILE A 11 -6.221 -7.741 -15.539 1.00 1.22 H new ATOM 0 HG13 ILE A 11 -7.945 -7.770 -15.224 1.00 1.22 H new ATOM 0 HG21 ILE A 11 -5.859 -10.137 -17.253 1.00 4.31 H new ATOM 0 HG22 ILE A 11 -6.373 -9.457 -18.815 1.00 4.31 H new ATOM 0 HG23 ILE A 11 -5.333 -8.505 -17.728 1.00 4.31 H new ATOM 0 HD11 ILE A 11 -6.760 -9.331 -13.761 1.00 33.45 H new ATOM 0 HD12 ILE A 11 -7.850 -10.210 -14.859 1.00 33.45 H new ATOM 0 HD13 ILE A 11 -6.100 -10.180 -15.179 1.00 33.45 H new ATOM 191 N LEU A 12 -9.310 -7.809 -19.678 1.00 74.33 N ATOM 192 CA LEU A 12 -9.668 -8.104 -21.061 1.00 72.54 C ATOM 193 C LEU A 12 -10.396 -6.925 -21.699 1.00 61.42 C ATOM 194 O LEU A 12 -10.537 -6.856 -22.919 1.00 61.13 O ATOM 195 CB LEU A 12 -10.546 -9.356 -21.126 1.00 0.41 C ATOM 196 CG LEU A 12 -9.806 -10.692 -21.199 1.00 0.32 C ATOM 197 CD1 LEU A 12 -10.792 -11.849 -21.184 1.00 21.51 C ATOM 198 CD2 LEU A 12 -8.931 -10.750 -22.443 1.00 12.34 C ATOM 0 H LEU A 12 -10.105 -7.740 -19.042 1.00 74.33 H new ATOM 0 HA LEU A 12 -8.748 -8.283 -21.618 1.00 72.54 H new ATOM 0 HB2 LEU A 12 -11.191 -9.369 -20.248 1.00 0.41 H new ATOM 0 HB3 LEU A 12 -11.195 -9.275 -21.998 1.00 0.41 H new ATOM 0 HG LEU A 12 -9.163 -10.778 -20.323 1.00 0.32 H new ATOM 0 HD11 LEU A 12 -10.247 -12.792 -21.237 1.00 21.51 H new ATOM 0 HD12 LEU A 12 -11.376 -11.818 -20.264 1.00 21.51 H new ATOM 0 HD13 LEU A 12 -11.461 -11.768 -22.041 1.00 21.51 H new ATOM 0 HD21 LEU A 12 -8.412 -11.708 -22.478 1.00 12.34 H new ATOM 0 HD22 LEU A 12 -9.554 -10.642 -23.331 1.00 12.34 H new ATOM 0 HD23 LEU A 12 -8.200 -9.942 -22.412 1.00 12.34 H new ATOM 210 N GLY A 13 -10.855 -5.998 -20.864 1.00 50.12 N ATOM 211 CA GLY A 13 -11.561 -4.833 -21.365 1.00 3.10 C ATOM 212 C GLY A 13 -12.999 -5.140 -21.733 1.00 2.23 C ATOM 213 O GLY A 13 -13.502 -4.664 -22.750 1.00 54.51 O ATOM 0 H GLY A 13 -10.751 -6.033 -19.850 1.00 50.12 H new ATOM 0 HA2 GLY A 13 -11.542 -4.048 -20.609 1.00 3.10 H new ATOM 0 HA3 GLY A 13 -11.040 -4.445 -22.240 1.00 3.10 H new ATOM 217 N VAL A 14 -13.662 -5.940 -20.904 1.00 13.53 N ATOM 218 CA VAL A 14 -15.051 -6.310 -21.147 1.00 72.31 C ATOM 219 C VAL A 14 -15.924 -5.998 -19.936 1.00 64.05 C ATOM 220 O VAL A 14 -15.462 -5.983 -18.795 1.00 54.41 O ATOM 221 CB VAL A 14 -15.181 -7.807 -21.487 1.00 52.14 C ATOM 222 CG1 VAL A 14 -14.287 -8.167 -22.664 1.00 41.30 C ATOM 223 CG2 VAL A 14 -14.847 -8.660 -20.273 1.00 14.00 C ATOM 0 H VAL A 14 -13.260 -6.344 -20.058 1.00 13.53 H new ATOM 0 HA VAL A 14 -15.391 -5.720 -21.998 1.00 72.31 H new ATOM 0 HB VAL A 14 -16.214 -8.009 -21.771 1.00 52.14 H new ATOM 0 HG11 VAL A 14 -14.392 -9.228 -22.890 1.00 41.30 H new ATOM 0 HG12 VAL A 14 -14.578 -7.580 -23.535 1.00 41.30 H new ATOM 0 HG13 VAL A 14 -13.249 -7.951 -22.412 1.00 41.30 H new ATOM 0 HG21 VAL A 14 -14.944 -9.714 -20.531 1.00 14.00 H new ATOM 0 HG22 VAL A 14 -13.824 -8.457 -19.956 1.00 14.00 H new ATOM 0 HG23 VAL A 14 -15.533 -8.421 -19.460 1.00 14.00 H new ATOM 233 N PRO A 15 -17.216 -5.743 -20.189 1.00 31.24 N ATOM 234 CA PRO A 15 -18.182 -5.427 -19.132 1.00 24.53 C ATOM 235 C PRO A 15 -18.490 -6.632 -18.249 1.00 61.44 C ATOM 236 O PRO A 15 -18.032 -7.743 -18.517 1.00 65.12 O ATOM 237 CB PRO A 15 -19.430 -4.999 -19.908 1.00 23.54 C ATOM 238 CG PRO A 15 -19.307 -5.680 -21.227 1.00 53.02 C ATOM 239 CD PRO A 15 -17.835 -5.744 -21.525 1.00 23.31 C ATOM 0 HA PRO A 15 -17.805 -4.664 -18.450 1.00 24.53 H new ATOM 0 HB2 PRO A 15 -20.341 -5.300 -19.390 1.00 23.54 H new ATOM 0 HB3 PRO A 15 -19.472 -3.916 -20.024 1.00 23.54 H new ATOM 0 HG2 PRO A 15 -19.742 -6.679 -21.192 1.00 53.02 H new ATOM 0 HG3 PRO A 15 -19.838 -5.128 -22.002 1.00 53.02 H new ATOM 0 HD2 PRO A 15 -17.577 -6.642 -22.087 1.00 23.31 H new ATOM 0 HD3 PRO A 15 -17.508 -4.891 -22.120 1.00 23.31 H new ATOM 247 N ARG A 16 -19.269 -6.405 -17.197 1.00 74.52 N ATOM 248 CA ARG A 16 -19.638 -7.473 -16.275 1.00 51.12 C ATOM 249 C ARG A 16 -20.758 -8.331 -16.857 1.00 1.02 C ATOM 250 O ARG A 16 -21.111 -9.369 -16.299 1.00 71.02 O ATOM 251 CB ARG A 16 -20.076 -6.887 -14.932 1.00 3.24 C ATOM 252 CG ARG A 16 -18.993 -6.075 -14.240 1.00 21.13 C ATOM 253 CD ARG A 16 -19.589 -5.012 -13.330 1.00 20.53 C ATOM 254 NE ARG A 16 -18.600 -4.469 -12.402 1.00 54.34 N ATOM 255 CZ ARG A 16 -18.182 -5.109 -11.316 1.00 44.33 C ATOM 256 NH1 ARG A 16 -18.663 -6.309 -11.023 1.00 44.12 N ATOM 257 NH2 ARG A 16 -17.279 -4.548 -10.521 1.00 73.21 N ATOM 0 H ARG A 16 -19.657 -5.492 -16.962 1.00 74.52 H new ATOM 0 HA ARG A 16 -18.763 -8.104 -16.121 1.00 51.12 H new ATOM 0 HB2 ARG A 16 -20.949 -6.253 -15.089 1.00 3.24 H new ATOM 0 HB3 ARG A 16 -20.386 -7.699 -14.274 1.00 3.24 H new ATOM 0 HG2 ARG A 16 -18.356 -6.739 -13.656 1.00 21.13 H new ATOM 0 HG3 ARG A 16 -18.358 -5.601 -14.988 1.00 21.13 H new ATOM 0 HD2 ARG A 16 -19.999 -4.204 -13.936 1.00 20.53 H new ATOM 0 HD3 ARG A 16 -20.418 -5.440 -12.767 1.00 20.53 H new ATOM 0 HE ARG A 16 -18.209 -3.548 -12.599 1.00 54.34 H new ATOM 0 HH11 ARG A 16 -19.356 -6.743 -11.632 1.00 44.12 H new ATOM 0 HH12 ARG A 16 -18.340 -6.798 -10.188 1.00 44.12 H new ATOM 0 HH21 ARG A 16 -16.906 -3.625 -10.744 1.00 73.21 H new ATOM 0 HH22 ARG A 16 -16.958 -5.040 -9.687 1.00 73.21 H new ATOM 271 N ASN A 17 -21.312 -7.889 -17.981 1.00 13.21 N ATOM 272 CA ASN A 17 -22.393 -8.616 -18.638 1.00 2.53 C ATOM 273 C ASN A 17 -21.951 -9.128 -20.005 1.00 52.12 C ATOM 274 O ASN A 17 -22.754 -9.669 -20.765 1.00 43.55 O ATOM 275 CB ASN A 17 -23.621 -7.716 -18.790 1.00 34.43 C ATOM 276 CG ASN A 17 -23.278 -6.363 -19.381 1.00 43.02 C ATOM 277 OD1 ASN A 17 -22.465 -6.263 -20.300 1.00 64.11 O ATOM 278 ND2 ASN A 17 -23.897 -5.313 -18.855 1.00 54.00 N ATOM 0 H ASN A 17 -21.031 -7.031 -18.456 1.00 13.21 H new ATOM 0 HA ASN A 17 -22.653 -9.472 -18.016 1.00 2.53 H new ATOM 0 HB2 ASN A 17 -24.354 -8.212 -19.426 1.00 34.43 H new ATOM 0 HB3 ASN A 17 -24.088 -7.576 -17.815 1.00 34.43 H new ATOM 0 HD21 ASN A 17 -23.706 -4.377 -19.212 1.00 54.00 H new ATOM 0 HD22 ASN A 17 -24.564 -5.442 -18.094 1.00 54.00 H new ATOM 285 N ALA A 18 -20.670 -8.954 -20.311 1.00 25.15 N ATOM 286 CA ALA A 18 -20.120 -9.401 -21.585 1.00 13.14 C ATOM 287 C ALA A 18 -20.432 -10.873 -21.831 1.00 21.34 C ATOM 288 O ALA A 18 -20.757 -11.612 -20.901 1.00 62.54 O ATOM 289 CB ALA A 18 -18.618 -9.164 -21.624 1.00 40.41 C ATOM 0 H ALA A 18 -19.993 -8.506 -19.694 1.00 25.15 H new ATOM 0 HA ALA A 18 -20.589 -8.820 -22.379 1.00 13.14 H new ATOM 0 HB1 ALA A 18 -18.221 -9.503 -22.581 1.00 40.41 H new ATOM 0 HB2 ALA A 18 -18.414 -8.100 -21.502 1.00 40.41 H new ATOM 0 HB3 ALA A 18 -18.141 -9.719 -20.816 1.00 40.41 H new ATOM 295 N SER A 19 -20.331 -11.293 -23.088 1.00 13.32 N ATOM 296 CA SER A 19 -20.607 -12.676 -23.456 1.00 60.44 C ATOM 297 C SER A 19 -19.316 -13.416 -23.795 1.00 52.23 C ATOM 298 O SER A 19 -18.321 -12.803 -24.180 1.00 4.24 O ATOM 299 CB SER A 19 -21.565 -12.728 -24.648 1.00 13.22 C ATOM 300 OG SER A 19 -22.636 -11.814 -24.481 1.00 21.40 O ATOM 0 H SER A 19 -20.060 -10.695 -23.869 1.00 13.32 H new ATOM 0 HA SER A 19 -21.074 -13.167 -22.602 1.00 60.44 H new ATOM 0 HB2 SER A 19 -21.023 -12.495 -25.565 1.00 13.22 H new ATOM 0 HB3 SER A 19 -21.959 -13.738 -24.759 1.00 13.22 H new ATOM 0 HG SER A 19 -23.233 -11.865 -25.256 1.00 21.40 H new ATOM 306 N GLN A 20 -19.342 -14.737 -23.649 1.00 55.44 N ATOM 307 CA GLN A 20 -18.175 -15.560 -23.939 1.00 64.01 C ATOM 308 C GLN A 20 -17.644 -15.278 -25.341 1.00 71.50 C ATOM 309 O GLN A 20 -16.451 -15.427 -25.607 1.00 32.03 O ATOM 310 CB GLN A 20 -18.523 -17.043 -23.801 1.00 70.12 C ATOM 311 CG GLN A 20 -19.249 -17.380 -22.509 1.00 12.32 C ATOM 312 CD GLN A 20 -18.543 -16.833 -21.283 1.00 75.44 C ATOM 313 OE1 GLN A 20 -17.409 -17.430 -20.938 1.00 70.35 O flip ATOM 314 NE2 GLN A 20 -19.013 -15.885 -20.653 1.00 63.32 N flip ATOM 0 H GLN A 20 -20.159 -15.259 -23.332 1.00 55.44 H new ATOM 0 HA GLN A 20 -17.397 -15.308 -23.219 1.00 64.01 H new ATOM 0 HB2 GLN A 20 -19.144 -17.342 -24.645 1.00 70.12 H new ATOM 0 HB3 GLN A 20 -17.606 -17.629 -23.856 1.00 70.12 H new ATOM 0 HG2 GLN A 20 -20.261 -16.978 -22.550 1.00 12.32 H new ATOM 0 HG3 GLN A 20 -19.339 -18.463 -22.419 1.00 12.32 H new ATOM 0 HE21 GLN A 20 -19.888 -15.456 -20.954 1.00 63.32 H new ATOM 0 HE22 GLN A 20 -18.527 -15.529 -19.830 1.00 63.32 H new ATOM 323 N LYS A 21 -18.538 -14.871 -26.236 1.00 31.33 N ATOM 324 CA LYS A 21 -18.161 -14.568 -27.611 1.00 52.41 C ATOM 325 C LYS A 21 -17.494 -13.199 -27.703 1.00 11.01 C ATOM 326 O LYS A 21 -16.513 -13.025 -28.425 1.00 1.44 O ATOM 327 CB LYS A 21 -19.392 -14.609 -28.520 1.00 1.22 C ATOM 328 CG LYS A 21 -20.483 -13.634 -28.111 1.00 63.21 C ATOM 329 CD LYS A 21 -21.719 -13.784 -28.981 1.00 74.32 C ATOM 330 CE LYS A 21 -21.498 -13.204 -30.370 1.00 2.15 C ATOM 331 NZ LYS A 21 -21.492 -11.715 -30.354 1.00 2.12 N ATOM 0 H LYS A 21 -19.529 -14.743 -26.033 1.00 31.33 H new ATOM 0 HA LYS A 21 -17.448 -15.323 -27.941 1.00 52.41 H new ATOM 0 HB2 LYS A 21 -19.085 -14.390 -29.543 1.00 1.22 H new ATOM 0 HB3 LYS A 21 -19.800 -15.620 -28.519 1.00 1.22 H new ATOM 0 HG2 LYS A 21 -20.749 -13.801 -27.067 1.00 63.21 H new ATOM 0 HG3 LYS A 21 -20.107 -12.614 -28.185 1.00 63.21 H new ATOM 0 HD2 LYS A 21 -21.981 -14.839 -29.064 1.00 74.32 H new ATOM 0 HD3 LYS A 21 -22.562 -13.282 -28.506 1.00 74.32 H new ATOM 0 HE2 LYS A 21 -20.551 -13.567 -30.769 1.00 2.15 H new ATOM 0 HE3 LYS A 21 -22.282 -13.557 -31.040 1.00 2.15 H new ATOM 0 HZ1 LYS A 21 -21.509 -11.357 -31.330 1.00 2.12 H new ATOM 0 HZ2 LYS A 21 -22.330 -11.370 -29.844 1.00 2.12 H new ATOM 0 HZ3 LYS A 21 -20.632 -11.376 -29.877 1.00 2.12 H new ATOM 345 N GLU A 22 -18.033 -12.232 -26.966 1.00 24.41 N ATOM 346 CA GLU A 22 -17.488 -10.880 -26.965 1.00 4.11 C ATOM 347 C GLU A 22 -16.129 -10.841 -26.272 1.00 24.40 C ATOM 348 O GLU A 22 -15.272 -10.023 -26.607 1.00 52.34 O ATOM 349 CB GLU A 22 -18.454 -9.918 -26.271 1.00 3.52 C ATOM 350 CG GLU A 22 -17.969 -8.478 -26.251 1.00 52.53 C ATOM 351 CD GLU A 22 -17.755 -7.915 -27.643 1.00 63.32 C ATOM 352 OE1 GLU A 22 -18.558 -8.238 -28.543 1.00 73.21 O ATOM 353 OE2 GLU A 22 -16.784 -7.153 -27.833 1.00 21.22 O ATOM 0 H GLU A 22 -18.846 -12.360 -26.363 1.00 24.41 H new ATOM 0 HA GLU A 22 -17.357 -10.568 -28.001 1.00 4.11 H new ATOM 0 HB2 GLU A 22 -19.420 -9.960 -26.774 1.00 3.52 H new ATOM 0 HB3 GLU A 22 -18.614 -10.253 -25.246 1.00 3.52 H new ATOM 0 HG2 GLU A 22 -18.695 -7.861 -25.721 1.00 52.53 H new ATOM 0 HG3 GLU A 22 -17.035 -8.421 -25.692 1.00 52.53 H new ATOM 360 N ILE A 23 -15.939 -11.732 -25.304 1.00 53.20 N ATOM 361 CA ILE A 23 -14.685 -11.800 -24.564 1.00 72.23 C ATOM 362 C ILE A 23 -13.563 -12.355 -25.435 1.00 1.10 C ATOM 363 O ILE A 23 -12.401 -11.974 -25.287 1.00 73.33 O ATOM 364 CB ILE A 23 -14.822 -12.675 -23.304 1.00 0.30 C ATOM 365 CG1 ILE A 23 -15.843 -12.064 -22.341 1.00 64.23 C ATOM 366 CG2 ILE A 23 -13.472 -12.835 -22.621 1.00 42.04 C ATOM 367 CD1 ILE A 23 -16.280 -13.010 -21.245 1.00 3.14 C ATOM 0 H ILE A 23 -16.638 -12.416 -25.014 1.00 53.20 H new ATOM 0 HA ILE A 23 -14.439 -10.781 -24.264 1.00 72.23 H new ATOM 0 HB ILE A 23 -15.176 -13.662 -23.602 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -15.414 -11.170 -21.889 1.00 64.23 H new ATOM 0 HG13 ILE A 23 -16.719 -11.746 -22.906 1.00 64.23 H new ATOM 0 HG21 ILE A 23 -13.585 -13.456 -21.732 1.00 42.04 H new ATOM 0 HG22 ILE A 23 -12.771 -13.309 -23.308 1.00 42.04 H new ATOM 0 HG23 ILE A 23 -13.092 -11.855 -22.333 1.00 42.04 H new ATOM 0 HD11 ILE A 23 -17.003 -12.511 -20.600 1.00 3.14 H new ATOM 0 HD12 ILE A 23 -16.739 -13.894 -21.689 1.00 3.14 H new ATOM 0 HD13 ILE A 23 -15.413 -13.308 -20.655 1.00 3.14 H new ATOM 379 N LYS A 24 -13.918 -13.256 -26.345 1.00 3.22 N ATOM 380 CA LYS A 24 -12.942 -13.862 -27.243 1.00 52.01 C ATOM 381 C LYS A 24 -12.304 -12.809 -28.143 1.00 64.12 C ATOM 382 O LYS A 24 -11.101 -12.847 -28.404 1.00 41.02 O ATOM 383 CB LYS A 24 -13.608 -14.943 -28.098 1.00 2.04 C ATOM 384 CG LYS A 24 -13.629 -16.312 -27.439 1.00 42.42 C ATOM 385 CD LYS A 24 -14.016 -17.400 -28.427 1.00 11.43 C ATOM 386 CE LYS A 24 -15.520 -17.624 -28.447 1.00 73.10 C ATOM 387 NZ LYS A 24 -15.989 -18.348 -27.233 1.00 74.12 N ATOM 0 H LYS A 24 -14.875 -13.583 -26.480 1.00 3.22 H new ATOM 0 HA LYS A 24 -12.160 -14.318 -26.636 1.00 52.01 H new ATOM 0 HB2 LYS A 24 -14.631 -14.640 -28.320 1.00 2.04 H new ATOM 0 HB3 LYS A 24 -13.083 -15.016 -29.051 1.00 2.04 H new ATOM 0 HG2 LYS A 24 -12.646 -16.531 -27.022 1.00 42.42 H new ATOM 0 HG3 LYS A 24 -14.334 -16.306 -26.608 1.00 42.42 H new ATOM 0 HD2 LYS A 24 -13.675 -17.125 -29.425 1.00 11.43 H new ATOM 0 HD3 LYS A 24 -13.512 -18.330 -28.162 1.00 11.43 H new ATOM 0 HE2 LYS A 24 -16.029 -16.663 -28.516 1.00 73.10 H new ATOM 0 HE3 LYS A 24 -15.791 -18.193 -29.336 1.00 73.10 H new ATOM 0 HZ1 LYS A 24 -16.959 -18.689 -27.386 1.00 74.12 H new ATOM 0 HZ2 LYS A 24 -15.362 -19.157 -27.048 1.00 74.12 H new ATOM 0 HZ3 LYS A 24 -15.973 -17.704 -26.417 1.00 74.12 H new ATOM 401 N LYS A 25 -13.116 -11.869 -28.614 1.00 44.14 N ATOM 402 CA LYS A 25 -12.630 -10.803 -29.483 1.00 73.22 C ATOM 403 C LYS A 25 -11.745 -9.831 -28.710 1.00 31.34 C ATOM 404 O LYS A 25 -10.677 -9.441 -29.180 1.00 21.31 O ATOM 405 CB LYS A 25 -13.807 -10.051 -30.108 1.00 54.30 C ATOM 406 CG LYS A 25 -14.563 -10.860 -31.148 1.00 52.40 C ATOM 407 CD LYS A 25 -16.018 -10.431 -31.238 1.00 73.30 C ATOM 408 CE LYS A 25 -16.166 -9.109 -31.975 1.00 5.11 C ATOM 409 NZ LYS A 25 -16.226 -9.300 -33.450 1.00 53.15 N ATOM 0 H LYS A 25 -14.114 -11.823 -28.409 1.00 44.14 H new ATOM 0 HA LYS A 25 -12.034 -11.257 -30.275 1.00 73.22 H new ATOM 0 HB2 LYS A 25 -14.498 -9.754 -29.319 1.00 54.30 H new ATOM 0 HB3 LYS A 25 -13.438 -9.135 -30.570 1.00 54.30 H new ATOM 0 HG2 LYS A 25 -14.086 -10.740 -32.121 1.00 52.40 H new ATOM 0 HG3 LYS A 25 -14.510 -11.919 -30.896 1.00 52.40 H new ATOM 0 HD2 LYS A 25 -16.594 -11.201 -31.751 1.00 73.30 H new ATOM 0 HD3 LYS A 25 -16.433 -10.338 -30.235 1.00 73.30 H new ATOM 0 HE2 LYS A 25 -17.071 -8.604 -31.637 1.00 5.11 H new ATOM 0 HE3 LYS A 25 -15.327 -8.459 -31.727 1.00 5.11 H new ATOM 0 HZ1 LYS A 25 -16.327 -8.376 -33.916 1.00 53.15 H new ATOM 0 HZ2 LYS A 25 -15.352 -9.759 -33.777 1.00 53.15 H new ATOM 0 HZ3 LYS A 25 -17.042 -9.899 -33.690 1.00 53.15 H new ATOM 423 N ALA A 26 -12.196 -9.445 -27.521 1.00 30.34 N ATOM 424 CA ALA A 26 -11.443 -8.522 -26.681 1.00 20.12 C ATOM 425 C ALA A 26 -10.090 -9.110 -26.295 1.00 62.01 C ATOM 426 O ALA A 26 -9.116 -8.381 -26.108 1.00 43.40 O ATOM 427 CB ALA A 26 -12.242 -8.170 -25.435 1.00 32.21 C ATOM 0 H ALA A 26 -13.079 -9.757 -27.118 1.00 30.34 H new ATOM 0 HA ALA A 26 -11.264 -7.612 -27.254 1.00 20.12 H new ATOM 0 HB1 ALA A 26 -11.667 -7.480 -24.817 1.00 32.21 H new ATOM 0 HB2 ALA A 26 -13.182 -7.700 -25.726 1.00 32.21 H new ATOM 0 HB3 ALA A 26 -12.450 -9.077 -24.868 1.00 32.21 H new ATOM 433 N TYR A 27 -10.037 -10.432 -26.177 1.00 4.00 N ATOM 434 CA TYR A 27 -8.803 -11.117 -25.810 1.00 71.51 C ATOM 435 C TYR A 27 -7.809 -11.107 -26.967 1.00 50.14 C ATOM 436 O TYR A 27 -6.598 -11.022 -26.760 1.00 73.02 O ATOM 437 CB TYR A 27 -9.101 -12.558 -25.392 1.00 23.41 C ATOM 438 CG TYR A 27 -7.861 -13.403 -25.205 1.00 64.00 C ATOM 439 CD1 TYR A 27 -6.853 -13.010 -24.332 1.00 74.43 C ATOM 440 CD2 TYR A 27 -7.697 -14.595 -25.901 1.00 3.42 C ATOM 441 CE1 TYR A 27 -5.719 -13.779 -24.159 1.00 45.32 C ATOM 442 CE2 TYR A 27 -6.566 -15.370 -25.733 1.00 23.12 C ATOM 443 CZ TYR A 27 -5.579 -14.958 -24.861 1.00 54.34 C ATOM 444 OH TYR A 27 -4.451 -15.727 -24.691 1.00 0.54 O ATOM 0 H TYR A 27 -10.834 -11.050 -26.330 1.00 4.00 H new ATOM 0 HA TYR A 27 -8.358 -10.585 -24.969 1.00 71.51 H new ATOM 0 HB2 TYR A 27 -9.667 -12.548 -24.461 1.00 23.41 H new ATOM 0 HB3 TYR A 27 -9.736 -13.022 -26.146 1.00 23.41 H new ATOM 0 HD1 TYR A 27 -6.959 -12.088 -23.780 1.00 74.43 H new ATOM 0 HD2 TYR A 27 -8.467 -14.921 -26.585 1.00 3.42 H new ATOM 0 HE1 TYR A 27 -4.945 -13.459 -23.477 1.00 45.32 H new ATOM 0 HE2 TYR A 27 -6.455 -16.294 -26.281 1.00 23.12 H new ATOM 0 HH TYR A 27 -4.510 -16.524 -25.258 1.00 0.54 H new ATOM 454 N TYR A 28 -8.330 -11.193 -28.186 1.00 63.14 N ATOM 455 CA TYR A 28 -7.490 -11.195 -29.378 1.00 65.40 C ATOM 456 C TYR A 28 -6.964 -9.795 -29.676 1.00 44.35 C ATOM 457 O TYR A 28 -5.773 -9.608 -29.928 1.00 34.13 O ATOM 458 CB TYR A 28 -8.274 -11.724 -30.580 1.00 31.52 C ATOM 459 CG TYR A 28 -7.500 -11.675 -31.878 1.00 21.04 C ATOM 460 CD1 TYR A 28 -7.970 -10.947 -32.963 1.00 55.40 C ATOM 461 CD2 TYR A 28 -6.297 -12.356 -32.018 1.00 20.31 C ATOM 462 CE1 TYR A 28 -7.267 -10.899 -34.151 1.00 22.42 C ATOM 463 CE2 TYR A 28 -5.586 -12.314 -33.202 1.00 3.45 C ATOM 464 CZ TYR A 28 -6.075 -11.584 -34.265 1.00 60.31 C ATOM 465 OH TYR A 28 -5.370 -11.539 -35.446 1.00 52.42 O ATOM 0 H TYR A 28 -9.330 -11.262 -28.375 1.00 63.14 H new ATOM 0 HA TYR A 28 -6.640 -11.851 -29.191 1.00 65.40 H new ATOM 0 HB2 TYR A 28 -8.572 -12.754 -30.384 1.00 31.52 H new ATOM 0 HB3 TYR A 28 -9.189 -11.142 -30.690 1.00 31.52 H new ATOM 0 HD1 TYR A 28 -8.902 -10.409 -32.876 1.00 55.40 H new ATOM 0 HD2 TYR A 28 -5.911 -12.928 -31.187 1.00 20.31 H new ATOM 0 HE1 TYR A 28 -7.648 -10.329 -34.985 1.00 22.42 H new ATOM 0 HE2 TYR A 28 -4.653 -12.850 -33.294 1.00 3.45 H new ATOM 0 HH TYR A 28 -4.553 -12.073 -35.360 1.00 52.42 H new ATOM 475 N GLN A 29 -7.860 -8.814 -29.646 1.00 33.20 N ATOM 476 CA GLN A 29 -7.487 -7.430 -29.913 1.00 74.11 C ATOM 477 C GLN A 29 -6.438 -6.947 -28.917 1.00 70.13 C ATOM 478 O GLN A 29 -5.559 -6.156 -29.261 1.00 25.02 O ATOM 479 CB GLN A 29 -8.720 -6.527 -29.851 1.00 51.45 C ATOM 480 CG GLN A 29 -9.195 -6.242 -28.436 1.00 14.41 C ATOM 481 CD GLN A 29 -10.375 -5.290 -28.397 1.00 30.32 C ATOM 482 OE1 GLN A 29 -10.258 -4.157 -27.930 1.00 11.03 O ATOM 483 NE2 GLN A 29 -11.521 -5.747 -28.889 1.00 22.04 N ATOM 0 H GLN A 29 -8.849 -8.952 -29.439 1.00 33.20 H new ATOM 0 HA GLN A 29 -7.060 -7.382 -30.915 1.00 74.11 H new ATOM 0 HB2 GLN A 29 -8.494 -5.583 -30.346 1.00 51.45 H new ATOM 0 HB3 GLN A 29 -9.531 -6.994 -30.410 1.00 51.45 H new ATOM 0 HG2 GLN A 29 -9.473 -7.179 -27.954 1.00 14.41 H new ATOM 0 HG3 GLN A 29 -8.373 -5.819 -27.859 1.00 14.41 H new ATOM 0 HE21 GLN A 29 -11.573 -6.693 -29.266 1.00 22.04 H new ATOM 0 HE22 GLN A 29 -12.349 -5.152 -28.890 1.00 22.04 H new ATOM 492 N LEU A 30 -6.536 -7.427 -27.683 1.00 33.24 N ATOM 493 CA LEU A 30 -5.595 -7.044 -26.636 1.00 34.24 C ATOM 494 C LEU A 30 -4.236 -7.698 -26.860 1.00 5.41 C ATOM 495 O LEU A 30 -3.195 -7.065 -26.683 1.00 11.14 O ATOM 496 CB LEU A 30 -6.143 -7.437 -25.262 1.00 65.22 C ATOM 497 CG LEU A 30 -6.547 -6.282 -24.345 1.00 73.34 C ATOM 498 CD1 LEU A 30 -7.476 -5.323 -25.074 1.00 21.04 C ATOM 499 CD2 LEU A 30 -7.209 -6.812 -23.081 1.00 41.44 C ATOM 0 H LEU A 30 -7.258 -8.082 -27.382 1.00 33.24 H new ATOM 0 HA LEU A 30 -5.468 -5.962 -26.674 1.00 34.24 H new ATOM 0 HB2 LEU A 30 -7.012 -8.078 -25.410 1.00 65.22 H new ATOM 0 HB3 LEU A 30 -5.389 -8.035 -24.750 1.00 65.22 H new ATOM 0 HG LEU A 30 -5.647 -5.737 -24.059 1.00 73.34 H new ATOM 0 HD11 LEU A 30 -7.753 -4.507 -24.406 1.00 21.04 H new ATOM 0 HD12 LEU A 30 -6.968 -4.919 -25.949 1.00 21.04 H new ATOM 0 HD13 LEU A 30 -8.374 -5.855 -25.389 1.00 21.04 H new ATOM 0 HD21 LEU A 30 -7.490 -5.977 -22.440 1.00 41.44 H new ATOM 0 HD22 LEU A 30 -8.100 -7.380 -23.348 1.00 41.44 H new ATOM 0 HD23 LEU A 30 -6.512 -7.459 -22.549 1.00 41.44 H new ATOM 511 N ALA A 31 -4.252 -8.967 -27.253 1.00 34.11 N ATOM 512 CA ALA A 31 -3.021 -9.705 -27.506 1.00 10.12 C ATOM 513 C ALA A 31 -2.171 -9.008 -28.563 1.00 71.42 C ATOM 514 O ALA A 31 -0.946 -8.957 -28.455 1.00 2.33 O ATOM 515 CB ALA A 31 -3.338 -11.130 -27.935 1.00 52.33 C ATOM 0 H ALA A 31 -5.105 -9.506 -27.403 1.00 34.11 H new ATOM 0 HA ALA A 31 -2.448 -9.736 -26.579 1.00 10.12 H new ATOM 0 HB1 ALA A 31 -2.409 -11.669 -28.121 1.00 52.33 H new ATOM 0 HB2 ALA A 31 -3.897 -11.632 -27.145 1.00 52.33 H new ATOM 0 HB3 ALA A 31 -3.935 -11.111 -28.847 1.00 52.33 H new ATOM 521 N LYS A 32 -2.829 -8.474 -29.587 1.00 21.15 N ATOM 522 CA LYS A 32 -2.134 -7.780 -30.664 1.00 55.33 C ATOM 523 C LYS A 32 -1.391 -6.558 -30.134 1.00 53.33 C ATOM 524 O LYS A 32 -0.465 -6.057 -30.772 1.00 1.52 O ATOM 525 CB LYS A 32 -3.128 -7.355 -31.748 1.00 63.34 C ATOM 526 CG LYS A 32 -3.637 -8.511 -32.593 1.00 2.41 C ATOM 527 CD LYS A 32 -5.079 -8.296 -33.020 1.00 51.11 C ATOM 528 CE LYS A 32 -5.216 -7.087 -33.933 1.00 10.35 C ATOM 529 NZ LYS A 32 -6.433 -7.171 -34.787 1.00 21.24 N ATOM 0 H LYS A 32 -3.843 -8.509 -29.693 1.00 21.15 H new ATOM 0 HA LYS A 32 -1.406 -8.467 -31.095 1.00 55.33 H new ATOM 0 HB2 LYS A 32 -3.977 -6.859 -31.277 1.00 63.34 H new ATOM 0 HB3 LYS A 32 -2.652 -6.622 -32.399 1.00 63.34 H new ATOM 0 HG2 LYS A 32 -3.008 -8.622 -33.476 1.00 2.41 H new ATOM 0 HG3 LYS A 32 -3.559 -9.439 -32.027 1.00 2.41 H new ATOM 0 HD2 LYS A 32 -5.443 -9.185 -33.535 1.00 51.11 H new ATOM 0 HD3 LYS A 32 -5.704 -8.160 -32.138 1.00 51.11 H new ATOM 0 HE2 LYS A 32 -5.257 -6.180 -33.330 1.00 10.35 H new ATOM 0 HE3 LYS A 32 -4.333 -7.009 -34.567 1.00 10.35 H new ATOM 0 HZ1 LYS A 32 -6.490 -6.329 -35.394 1.00 21.24 H new ATOM 0 HZ2 LYS A 32 -6.382 -8.023 -35.381 1.00 21.24 H new ATOM 0 HZ3 LYS A 32 -7.278 -7.220 -34.183 1.00 21.24 H new ATOM 543 N LYS A 33 -1.802 -6.083 -28.963 1.00 52.13 N ATOM 544 CA LYS A 33 -1.174 -4.921 -28.345 1.00 72.22 C ATOM 545 C LYS A 33 0.124 -5.312 -27.647 1.00 4.11 C ATOM 546 O LYS A 33 1.126 -4.600 -27.734 1.00 35.41 O ATOM 547 CB LYS A 33 -2.130 -4.273 -27.341 1.00 52.45 C ATOM 548 CG LYS A 33 -3.552 -4.134 -27.858 1.00 30.44 C ATOM 549 CD LYS A 33 -4.405 -3.292 -26.924 1.00 22.02 C ATOM 550 CE LYS A 33 -5.457 -2.504 -27.689 1.00 11.02 C ATOM 551 NZ LYS A 33 -4.899 -1.251 -28.268 1.00 51.23 N ATOM 0 H LYS A 33 -2.568 -6.485 -28.423 1.00 52.13 H new ATOM 0 HA LYS A 33 -0.941 -4.203 -29.132 1.00 72.22 H new ATOM 0 HB2 LYS A 33 -2.141 -4.867 -26.427 1.00 52.45 H new ATOM 0 HB3 LYS A 33 -1.751 -3.286 -27.075 1.00 52.45 H new ATOM 0 HG2 LYS A 33 -3.537 -3.679 -28.848 1.00 30.44 H new ATOM 0 HG3 LYS A 33 -3.998 -5.122 -27.968 1.00 30.44 H new ATOM 0 HD2 LYS A 33 -4.892 -3.938 -26.193 1.00 22.02 H new ATOM 0 HD3 LYS A 33 -3.768 -2.605 -26.367 1.00 22.02 H new ATOM 0 HE2 LYS A 33 -5.865 -3.123 -28.488 1.00 11.02 H new ATOM 0 HE3 LYS A 33 -6.284 -2.259 -27.022 1.00 11.02 H new ATOM 0 HZ1 LYS A 33 -5.647 -0.743 -28.781 1.00 51.23 H new ATOM 0 HZ2 LYS A 33 -4.533 -0.648 -27.504 1.00 51.23 H new ATOM 0 HZ3 LYS A 33 -4.127 -1.486 -28.924 1.00 51.23 H new ATOM 565 N TYR A 34 0.101 -6.446 -26.956 1.00 62.34 N ATOM 566 CA TYR A 34 1.277 -6.931 -26.243 1.00 13.24 C ATOM 567 C TYR A 34 2.024 -7.973 -27.069 1.00 25.04 C ATOM 568 O TYR A 34 2.821 -8.748 -26.538 1.00 41.11 O ATOM 569 CB TYR A 34 0.870 -7.528 -24.894 1.00 64.03 C ATOM 570 CG TYR A 34 0.127 -6.559 -24.002 1.00 61.54 C ATOM 571 CD1 TYR A 34 0.803 -5.791 -23.063 1.00 5.21 C ATOM 572 CD2 TYR A 34 -1.251 -6.414 -24.098 1.00 52.41 C ATOM 573 CE1 TYR A 34 0.129 -4.905 -22.245 1.00 74.12 C ATOM 574 CE2 TYR A 34 -1.934 -5.529 -23.286 1.00 30.33 C ATOM 575 CZ TYR A 34 -1.240 -4.778 -22.361 1.00 1.52 C ATOM 576 OH TYR A 34 -1.917 -3.897 -21.549 1.00 3.43 O ATOM 0 H TYR A 34 -0.719 -7.047 -26.874 1.00 62.34 H new ATOM 0 HA TYR A 34 1.943 -6.085 -26.073 1.00 13.24 H new ATOM 0 HB2 TYR A 34 0.243 -8.403 -25.068 1.00 64.03 H new ATOM 0 HB3 TYR A 34 1.764 -7.874 -24.375 1.00 64.03 H new ATOM 0 HD1 TYR A 34 1.875 -5.888 -22.971 1.00 5.21 H new ATOM 0 HD2 TYR A 34 -1.798 -7.003 -24.819 1.00 52.41 H new ATOM 0 HE1 TYR A 34 0.670 -4.316 -21.520 1.00 74.12 H new ATOM 0 HE2 TYR A 34 -3.005 -5.426 -23.375 1.00 30.33 H new ATOM 0 HH TYR A 34 -2.874 -3.928 -21.759 1.00 3.43 H new ATOM 586 N HIS A 35 1.762 -7.985 -28.372 1.00 21.33 N ATOM 587 CA HIS A 35 2.410 -8.931 -29.273 1.00 44.02 C ATOM 588 C HIS A 35 3.927 -8.776 -29.223 1.00 65.43 C ATOM 589 O HIS A 35 4.458 -7.752 -28.792 1.00 74.13 O ATOM 590 CB HIS A 35 1.912 -8.727 -30.704 1.00 62.33 C ATOM 591 CG HIS A 35 0.981 -9.803 -31.173 1.00 42.21 C ATOM 592 ND1 HIS A 35 0.214 -10.675 -30.478 1.00 72.20 N flip ATOM 593 CD2 HIS A 35 0.760 -10.078 -32.506 1.00 11.41 C flip ATOM 594 CE1 HIS A 35 -0.451 -11.452 -31.394 1.00 43.44 C flip ATOM 595 NE2 HIS A 35 -0.105 -11.072 -32.610 1.00 12.11 N flip ATOM 0 H HIS A 35 1.106 -7.351 -28.827 1.00 21.33 H new ATOM 0 HA HIS A 35 2.154 -9.939 -28.947 1.00 44.02 H new ATOM 0 HB2 HIS A 35 1.404 -7.765 -30.770 1.00 62.33 H new ATOM 0 HB3 HIS A 35 2.769 -8.682 -31.375 1.00 62.33 H new ATOM 0 HD1 HIS A 35 0.143 -10.742 -29.463 1.00 72.20 H new ATOM 0 HD2 HIS A 35 1.221 -9.562 -33.335 1.00 11.41 H new ATOM 0 HE1 HIS A 35 -1.145 -12.245 -31.158 1.00 43.44 H new ATOM 603 N PRO A 36 4.644 -9.817 -29.673 1.00 61.05 N ATOM 604 CA PRO A 36 6.110 -9.821 -29.690 1.00 51.21 C ATOM 605 C PRO A 36 6.680 -8.855 -30.723 1.00 64.22 C ATOM 606 O PRO A 36 7.875 -8.559 -30.717 1.00 3.14 O ATOM 607 CB PRO A 36 6.457 -11.265 -30.059 1.00 73.23 C ATOM 608 CG PRO A 36 5.268 -11.760 -30.809 1.00 22.53 C ATOM 609 CD PRO A 36 4.078 -11.070 -30.201 1.00 45.15 C ATOM 0 HA PRO A 36 6.530 -9.498 -28.737 1.00 51.21 H new ATOM 0 HB2 PRO A 36 7.358 -11.312 -30.670 1.00 73.23 H new ATOM 0 HB3 PRO A 36 6.643 -11.867 -29.170 1.00 73.23 H new ATOM 0 HG2 PRO A 36 5.353 -11.529 -31.871 1.00 22.53 H new ATOM 0 HG3 PRO A 36 5.176 -12.843 -30.725 1.00 22.53 H new ATOM 0 HD2 PRO A 36 3.302 -10.880 -30.942 1.00 45.15 H new ATOM 0 HD3 PRO A 36 3.625 -11.670 -29.412 1.00 45.15 H new ATOM 617 N ASP A 37 5.819 -8.367 -31.609 1.00 61.52 N ATOM 618 CA ASP A 37 6.237 -7.434 -32.648 1.00 44.52 C ATOM 619 C ASP A 37 6.387 -6.024 -32.084 1.00 25.33 C ATOM 620 O ASP A 37 7.049 -5.172 -32.678 1.00 21.41 O ATOM 621 CB ASP A 37 5.229 -7.431 -33.798 1.00 34.12 C ATOM 622 CG ASP A 37 5.850 -7.000 -35.112 1.00 73.41 C ATOM 623 OD1 ASP A 37 5.104 -6.518 -35.990 1.00 63.52 O ATOM 624 OD2 ASP A 37 7.081 -7.146 -35.263 1.00 30.12 O ATOM 0 H ASP A 37 4.827 -8.602 -31.628 1.00 61.52 H new ATOM 0 HA ASP A 37 7.206 -7.761 -33.026 1.00 44.52 H new ATOM 0 HB2 ASP A 37 4.807 -8.430 -33.910 1.00 34.12 H new ATOM 0 HB3 ASP A 37 4.404 -6.762 -33.553 1.00 34.12 H new ATOM 629 N THR A 38 5.768 -5.784 -30.932 1.00 73.32 N ATOM 630 CA THR A 38 5.830 -4.478 -30.288 1.00 62.34 C ATOM 631 C THR A 38 6.663 -4.533 -29.013 1.00 21.42 C ATOM 632 O THR A 38 6.682 -3.583 -28.232 1.00 23.34 O ATOM 633 CB THR A 38 4.423 -3.952 -29.947 1.00 22.41 C ATOM 634 OG1 THR A 38 3.900 -4.653 -28.813 1.00 22.11 O ATOM 635 CG2 THR A 38 3.482 -4.118 -31.130 1.00 73.12 C ATOM 0 H THR A 38 5.218 -6.478 -30.426 1.00 73.32 H new ATOM 0 HA THR A 38 6.301 -3.798 -30.997 1.00 62.34 H new ATOM 0 HB THR A 38 4.503 -2.890 -29.713 1.00 22.41 H new ATOM 0 HG1 THR A 38 2.951 -4.435 -28.703 1.00 22.11 H new ATOM 0 HG21 THR A 38 2.495 -3.740 -30.865 1.00 73.12 H new ATOM 0 HG22 THR A 38 3.868 -3.560 -31.983 1.00 73.12 H new ATOM 0 HG23 THR A 38 3.408 -5.174 -31.391 1.00 73.12 H new ATOM 643 N ASN A 39 7.351 -5.652 -28.809 1.00 21.03 N ATOM 644 CA ASN A 39 8.187 -5.831 -27.627 1.00 12.51 C ATOM 645 C ASN A 39 9.618 -5.377 -27.899 1.00 12.21 C ATOM 646 O ASN A 39 10.530 -5.663 -27.123 1.00 11.31 O ATOM 647 CB ASN A 39 8.179 -7.296 -27.188 1.00 23.21 C ATOM 648 CG ASN A 39 7.071 -7.597 -26.197 1.00 63.43 C ATOM 649 OD1 ASN A 39 7.301 -8.227 -25.165 1.00 0.15 O ATOM 650 ND2 ASN A 39 5.861 -7.148 -26.509 1.00 21.03 N ATOM 0 H ASN A 39 7.346 -6.448 -29.447 1.00 21.03 H new ATOM 0 HA ASN A 39 7.776 -5.217 -26.826 1.00 12.51 H new ATOM 0 HB2 ASN A 39 8.062 -7.934 -28.064 1.00 23.21 H new ATOM 0 HB3 ASN A 39 9.141 -7.543 -26.739 1.00 23.21 H new ATOM 0 HD21 ASN A 39 5.075 -7.321 -25.882 1.00 21.03 H new ATOM 0 HD22 ASN A 39 5.717 -6.630 -27.376 1.00 21.03 H new ATOM 657 N LYS A 40 9.807 -4.667 -29.006 1.00 62.21 N ATOM 658 CA LYS A 40 11.126 -4.171 -29.381 1.00 71.24 C ATOM 659 C LYS A 40 11.627 -3.142 -28.373 1.00 43.04 C ATOM 660 O LYS A 40 12.804 -3.134 -28.013 1.00 65.41 O ATOM 661 CB LYS A 40 11.081 -3.551 -30.780 1.00 24.31 C ATOM 662 CG LYS A 40 11.433 -4.527 -31.889 1.00 74.43 C ATOM 663 CD LYS A 40 10.196 -5.222 -32.433 1.00 35.30 C ATOM 664 CE LYS A 40 9.991 -6.584 -31.786 1.00 4.30 C ATOM 665 NZ LYS A 40 10.627 -7.674 -32.576 1.00 71.22 N ATOM 0 H LYS A 40 9.063 -4.422 -29.659 1.00 62.21 H new ATOM 0 HA LYS A 40 11.816 -5.014 -29.386 1.00 71.24 H new ATOM 0 HB2 LYS A 40 10.082 -3.154 -30.960 1.00 24.31 H new ATOM 0 HB3 LYS A 40 11.771 -2.708 -30.817 1.00 24.31 H new ATOM 0 HG2 LYS A 40 11.938 -3.996 -32.696 1.00 74.43 H new ATOM 0 HG3 LYS A 40 12.133 -5.272 -31.511 1.00 74.43 H new ATOM 0 HD2 LYS A 40 9.320 -4.598 -32.256 1.00 35.30 H new ATOM 0 HD3 LYS A 40 10.290 -5.341 -33.512 1.00 35.30 H new ATOM 0 HE2 LYS A 40 10.408 -6.574 -30.779 1.00 4.30 H new ATOM 0 HE3 LYS A 40 8.924 -6.782 -31.687 1.00 4.30 H new ATOM 0 HZ1 LYS A 40 10.465 -8.586 -32.103 1.00 71.22 H new ATOM 0 HZ2 LYS A 40 10.211 -7.700 -33.529 1.00 71.22 H new ATOM 0 HZ3 LYS A 40 11.650 -7.499 -32.649 1.00 71.22 H new ATOM 679 N ASP A 41 10.727 -2.276 -27.921 1.00 72.42 N ATOM 680 CA ASP A 41 11.077 -1.244 -26.952 1.00 65.33 C ATOM 681 C ASP A 41 10.281 -1.416 -25.663 1.00 33.21 C ATOM 682 O ASP A 41 10.214 -0.506 -24.836 1.00 64.14 O ATOM 683 CB ASP A 41 10.825 0.145 -27.541 1.00 24.40 C ATOM 684 CG ASP A 41 11.192 0.226 -29.010 1.00 10.23 C ATOM 685 OD1 ASP A 41 10.297 0.521 -29.829 1.00 11.33 O ATOM 686 OD2 ASP A 41 12.374 -0.006 -29.340 1.00 51.24 O ATOM 0 H ASP A 41 9.749 -2.268 -28.210 1.00 72.42 H new ATOM 0 HA ASP A 41 12.137 -1.344 -26.719 1.00 65.33 H new ATOM 0 HB2 ASP A 41 9.773 0.404 -27.417 1.00 24.40 H new ATOM 0 HB3 ASP A 41 11.402 0.883 -26.984 1.00 24.40 H new ATOM 691 N ASP A 42 9.677 -2.588 -25.498 1.00 71.05 N ATOM 692 CA ASP A 42 8.884 -2.880 -24.310 1.00 1.53 C ATOM 693 C ASP A 42 9.072 -4.329 -23.873 1.00 72.24 C ATOM 694 O ASP A 42 8.255 -5.202 -24.167 1.00 62.44 O ATOM 695 CB ASP A 42 7.404 -2.602 -24.577 1.00 10.11 C ATOM 696 CG ASP A 42 6.674 -2.116 -23.340 1.00 74.15 C ATOM 697 OD1 ASP A 42 7.142 -2.410 -22.220 1.00 74.54 O ATOM 698 OD2 ASP A 42 5.635 -1.441 -23.493 1.00 15.33 O ATOM 0 H ASP A 42 9.722 -3.352 -26.173 1.00 71.05 H new ATOM 0 HA ASP A 42 9.228 -2.230 -23.506 1.00 1.53 H new ATOM 0 HB2 ASP A 42 7.314 -1.855 -25.365 1.00 10.11 H new ATOM 0 HB3 ASP A 42 6.927 -3.511 -24.943 1.00 10.11 H new ATOM 703 N PRO A 43 10.174 -4.594 -23.156 1.00 13.42 N ATOM 704 CA PRO A 43 10.495 -5.937 -22.664 1.00 51.22 C ATOM 705 C PRO A 43 9.547 -6.392 -21.559 1.00 44.34 C ATOM 706 O PRO A 43 9.584 -7.546 -21.132 1.00 2.44 O ATOM 707 CB PRO A 43 11.917 -5.784 -22.120 1.00 23.54 C ATOM 708 CG PRO A 43 12.036 -4.341 -21.769 1.00 63.41 C ATOM 709 CD PRO A 43 11.191 -3.602 -22.768 1.00 53.54 C ATOM 0 HA PRO A 43 10.402 -6.691 -23.446 1.00 51.22 H new ATOM 0 HB2 PRO A 43 12.077 -6.418 -21.248 1.00 23.54 H new ATOM 0 HB3 PRO A 43 12.659 -6.073 -22.865 1.00 23.54 H new ATOM 0 HG2 PRO A 43 11.689 -4.157 -20.752 1.00 63.41 H new ATOM 0 HG3 PRO A 43 13.074 -4.012 -21.816 1.00 63.41 H new ATOM 0 HD2 PRO A 43 10.738 -2.712 -22.331 1.00 53.54 H new ATOM 0 HD3 PRO A 43 11.778 -3.272 -23.625 1.00 53.54 H new ATOM 717 N LYS A 44 8.698 -5.478 -21.101 1.00 65.11 N ATOM 718 CA LYS A 44 7.739 -5.785 -20.047 1.00 20.01 C ATOM 719 C LYS A 44 6.390 -6.181 -20.638 1.00 33.13 C ATOM 720 O LYS A 44 5.568 -6.806 -19.968 1.00 70.32 O ATOM 721 CB LYS A 44 7.567 -4.581 -19.119 1.00 5.54 C ATOM 722 CG LYS A 44 8.452 -4.633 -17.885 1.00 15.14 C ATOM 723 CD LYS A 44 8.067 -5.785 -16.972 1.00 11.14 C ATOM 724 CE LYS A 44 7.137 -5.327 -15.858 1.00 61.32 C ATOM 725 NZ LYS A 44 7.402 -6.048 -14.583 1.00 22.54 N ATOM 0 H LYS A 44 8.655 -4.518 -21.444 1.00 65.11 H new ATOM 0 HA LYS A 44 8.126 -6.627 -19.472 1.00 20.01 H new ATOM 0 HB2 LYS A 44 7.787 -3.670 -19.675 1.00 5.54 H new ATOM 0 HB3 LYS A 44 6.525 -4.520 -18.806 1.00 5.54 H new ATOM 0 HG2 LYS A 44 9.494 -4.739 -18.187 1.00 15.14 H new ATOM 0 HG3 LYS A 44 8.373 -3.693 -17.339 1.00 15.14 H new ATOM 0 HD2 LYS A 44 7.580 -6.566 -17.556 1.00 11.14 H new ATOM 0 HD3 LYS A 44 8.966 -6.224 -16.539 1.00 11.14 H new ATOM 0 HE2 LYS A 44 7.259 -4.255 -15.701 1.00 61.32 H new ATOM 0 HE3 LYS A 44 6.102 -5.490 -16.159 1.00 61.32 H new ATOM 0 HZ1 LYS A 44 6.715 -5.745 -13.863 1.00 22.54 H new ATOM 0 HZ2 LYS A 44 7.311 -7.072 -14.738 1.00 22.54 H new ATOM 0 HZ3 LYS A 44 8.365 -5.832 -14.255 1.00 22.54 H new ATOM 739 N ALA A 45 6.169 -5.814 -21.896 1.00 21.31 N ATOM 740 CA ALA A 45 4.921 -6.135 -22.577 1.00 41.34 C ATOM 741 C ALA A 45 4.658 -7.637 -22.563 1.00 53.41 C ATOM 742 O ALA A 45 3.512 -8.076 -22.462 1.00 51.24 O ATOM 743 CB ALA A 45 4.952 -5.616 -24.007 1.00 44.04 C ATOM 0 H ALA A 45 6.838 -5.294 -22.464 1.00 21.31 H new ATOM 0 HA ALA A 45 4.107 -5.646 -22.042 1.00 41.34 H new ATOM 0 HB1 ALA A 45 4.014 -5.863 -24.504 1.00 44.04 H new ATOM 0 HB2 ALA A 45 5.085 -4.534 -23.999 1.00 44.04 H new ATOM 0 HB3 ALA A 45 5.780 -6.079 -24.544 1.00 44.04 H new ATOM 749 N LYS A 46 5.725 -8.421 -22.665 1.00 44.22 N ATOM 750 CA LYS A 46 5.611 -9.874 -22.664 1.00 33.45 C ATOM 751 C LYS A 46 4.982 -10.369 -21.365 1.00 31.02 C ATOM 752 O LYS A 46 4.140 -11.266 -21.375 1.00 73.04 O ATOM 753 CB LYS A 46 6.987 -10.515 -22.853 1.00 24.44 C ATOM 754 CG LYS A 46 8.001 -10.101 -21.800 1.00 41.33 C ATOM 755 CD LYS A 46 9.423 -10.390 -22.251 1.00 60.10 C ATOM 756 CE LYS A 46 9.843 -9.477 -23.392 1.00 52.35 C ATOM 757 NZ LYS A 46 11.319 -9.290 -23.440 1.00 25.55 N ATOM 0 H LYS A 46 6.680 -8.074 -22.750 1.00 44.22 H new ATOM 0 HA LYS A 46 4.966 -10.163 -23.494 1.00 33.45 H new ATOM 0 HB2 LYS A 46 6.879 -11.599 -22.835 1.00 24.44 H new ATOM 0 HB3 LYS A 46 7.370 -10.249 -23.838 1.00 24.44 H new ATOM 0 HG2 LYS A 46 7.894 -9.037 -21.589 1.00 41.33 H new ATOM 0 HG3 LYS A 46 7.798 -10.632 -20.870 1.00 41.33 H new ATOM 0 HD2 LYS A 46 10.105 -10.261 -21.411 1.00 60.10 H new ATOM 0 HD3 LYS A 46 9.501 -11.430 -22.568 1.00 60.10 H new ATOM 0 HE2 LYS A 46 9.499 -9.896 -24.338 1.00 52.35 H new ATOM 0 HE3 LYS A 46 9.358 -8.508 -23.278 1.00 52.35 H new ATOM 0 HZ1 LYS A 46 11.564 -8.661 -24.232 1.00 25.55 H new ATOM 0 HZ2 LYS A 46 11.644 -8.866 -22.548 1.00 25.55 H new ATOM 0 HZ3 LYS A 46 11.782 -10.212 -23.574 1.00 25.55 H new ATOM 771 N GLU A 47 5.396 -9.777 -20.249 1.00 22.01 N ATOM 772 CA GLU A 47 4.872 -10.158 -18.943 1.00 31.42 C ATOM 773 C GLU A 47 3.387 -9.824 -18.834 1.00 30.12 C ATOM 774 O GLU A 47 2.610 -10.579 -18.249 1.00 72.23 O ATOM 775 CB GLU A 47 5.648 -9.451 -17.830 1.00 42.54 C ATOM 776 CG GLU A 47 5.443 -10.068 -16.457 1.00 52.42 C ATOM 777 CD GLU A 47 6.667 -9.941 -15.572 1.00 2.24 C ATOM 778 OE1 GLU A 47 7.090 -8.796 -15.306 1.00 23.23 O ATOM 779 OE2 GLU A 47 7.202 -10.985 -15.145 1.00 22.22 O ATOM 0 H GLU A 47 6.092 -9.032 -20.223 1.00 22.01 H new ATOM 0 HA GLU A 47 4.994 -11.235 -18.832 1.00 31.42 H new ATOM 0 HB2 GLU A 47 6.711 -9.469 -18.072 1.00 42.54 H new ATOM 0 HB3 GLU A 47 5.346 -8.404 -17.797 1.00 42.54 H new ATOM 0 HG2 GLU A 47 4.595 -9.587 -15.969 1.00 52.42 H new ATOM 0 HG3 GLU A 47 5.189 -11.122 -16.571 1.00 52.42 H new ATOM 786 N LYS A 48 3.000 -8.686 -19.400 1.00 73.45 N ATOM 787 CA LYS A 48 1.609 -8.250 -19.369 1.00 32.10 C ATOM 788 C LYS A 48 0.744 -9.123 -20.272 1.00 70.34 C ATOM 789 O LYS A 48 -0.421 -9.383 -19.971 1.00 53.42 O ATOM 790 CB LYS A 48 1.502 -6.786 -19.803 1.00 30.33 C ATOM 791 CG LYS A 48 2.378 -5.846 -18.993 1.00 22.52 C ATOM 792 CD LYS A 48 2.076 -5.945 -17.507 1.00 5.52 C ATOM 793 CE LYS A 48 2.960 -5.009 -16.696 1.00 13.22 C ATOM 794 NZ LYS A 48 2.436 -3.615 -16.693 1.00 52.24 N ATOM 0 H LYS A 48 3.631 -8.048 -19.886 1.00 73.45 H new ATOM 0 HA LYS A 48 1.247 -8.347 -18.345 1.00 32.10 H new ATOM 0 HB2 LYS A 48 1.775 -6.707 -20.855 1.00 30.33 H new ATOM 0 HB3 LYS A 48 0.464 -6.465 -19.718 1.00 30.33 H new ATOM 0 HG2 LYS A 48 3.427 -6.083 -19.169 1.00 22.52 H new ATOM 0 HG3 LYS A 48 2.222 -4.821 -19.330 1.00 22.52 H new ATOM 0 HD2 LYS A 48 1.028 -5.702 -17.330 1.00 5.52 H new ATOM 0 HD3 LYS A 48 2.226 -6.971 -17.171 1.00 5.52 H new ATOM 0 HE2 LYS A 48 3.030 -5.373 -15.671 1.00 13.22 H new ATOM 0 HE3 LYS A 48 3.970 -5.017 -17.107 1.00 13.22 H new ATOM 0 HZ1 LYS A 48 3.066 -3.009 -16.130 1.00 52.24 H new ATOM 0 HZ2 LYS A 48 2.393 -3.258 -17.669 1.00 52.24 H new ATOM 0 HZ3 LYS A 48 1.483 -3.603 -16.278 1.00 52.24 H new ATOM 808 N PHE A 49 1.322 -9.575 -21.380 1.00 62.52 N ATOM 809 CA PHE A 49 0.604 -10.420 -22.327 1.00 61.52 C ATOM 810 C PHE A 49 0.124 -11.704 -21.656 1.00 4.02 C ATOM 811 O PHE A 49 -0.924 -12.246 -22.005 1.00 52.44 O ATOM 812 CB PHE A 49 1.499 -10.760 -23.521 1.00 1.20 C ATOM 813 CG PHE A 49 0.905 -11.786 -24.443 1.00 41.10 C ATOM 814 CD1 PHE A 49 0.140 -11.398 -25.531 1.00 60.53 C ATOM 815 CD2 PHE A 49 1.111 -13.138 -24.221 1.00 43.01 C ATOM 816 CE1 PHE A 49 -0.408 -12.340 -26.382 1.00 62.10 C ATOM 817 CE2 PHE A 49 0.566 -14.084 -25.069 1.00 24.14 C ATOM 818 CZ PHE A 49 -0.195 -13.685 -26.150 1.00 11.24 C ATOM 0 H PHE A 49 2.286 -9.370 -21.644 1.00 62.52 H new ATOM 0 HA PHE A 49 -0.267 -9.867 -22.680 1.00 61.52 H new ATOM 0 HB2 PHE A 49 1.700 -9.849 -24.085 1.00 1.20 H new ATOM 0 HB3 PHE A 49 2.458 -11.125 -23.154 1.00 1.20 H new ATOM 0 HD1 PHE A 49 -0.030 -10.348 -25.717 1.00 60.53 H new ATOM 0 HD2 PHE A 49 1.704 -13.456 -23.376 1.00 43.01 H new ATOM 0 HE1 PHE A 49 -1.002 -12.025 -27.227 1.00 62.10 H new ATOM 0 HE2 PHE A 49 0.735 -15.135 -24.886 1.00 24.14 H new ATOM 0 HZ PHE A 49 -0.623 -14.423 -26.813 1.00 11.24 H new ATOM 828 N SER A 50 0.900 -12.185 -20.690 1.00 24.11 N ATOM 829 CA SER A 50 0.558 -13.407 -19.972 1.00 21.23 C ATOM 830 C SER A 50 -0.726 -13.224 -19.169 1.00 13.10 C ATOM 831 O SER A 50 -1.502 -14.164 -18.998 1.00 13.54 O ATOM 832 CB SER A 50 1.702 -13.814 -19.040 1.00 55.31 C ATOM 833 OG SER A 50 1.425 -15.049 -18.403 1.00 4.13 O ATOM 0 H SER A 50 1.770 -11.747 -20.387 1.00 24.11 H new ATOM 0 HA SER A 50 0.398 -14.197 -20.706 1.00 21.23 H new ATOM 0 HB2 SER A 50 2.628 -13.894 -19.609 1.00 55.31 H new ATOM 0 HB3 SER A 50 1.856 -13.040 -18.288 1.00 55.31 H new ATOM 0 HG SER A 50 2.171 -15.288 -17.814 1.00 4.13 H new ATOM 839 N GLN A 51 -0.942 -12.007 -18.680 1.00 33.12 N ATOM 840 CA GLN A 51 -2.132 -11.700 -17.894 1.00 61.24 C ATOM 841 C GLN A 51 -3.393 -11.840 -18.740 1.00 35.42 C ATOM 842 O GLN A 51 -4.452 -12.219 -18.237 1.00 21.55 O ATOM 843 CB GLN A 51 -2.041 -10.284 -17.324 1.00 3.20 C ATOM 844 CG GLN A 51 -0.901 -10.098 -16.335 1.00 61.24 C ATOM 845 CD GLN A 51 -0.780 -11.253 -15.361 1.00 11.14 C ATOM 846 OE1 GLN A 51 0.032 -12.159 -15.551 1.00 1.32 O ATOM 847 NE2 GLN A 51 -1.590 -11.227 -14.308 1.00 44.23 N ATOM 0 H GLN A 51 -0.309 -11.218 -18.814 1.00 33.12 H new ATOM 0 HA GLN A 51 -2.187 -12.412 -17.071 1.00 61.24 H new ATOM 0 HB2 GLN A 51 -1.917 -9.578 -18.145 1.00 3.20 H new ATOM 0 HB3 GLN A 51 -2.982 -10.038 -16.832 1.00 3.20 H new ATOM 0 HG2 GLN A 51 0.036 -9.989 -16.882 1.00 61.24 H new ATOM 0 HG3 GLN A 51 -1.055 -9.173 -15.779 1.00 61.24 H new ATOM 0 HE21 GLN A 51 -2.248 -10.457 -14.190 1.00 44.23 H new ATOM 0 HE22 GLN A 51 -1.554 -11.977 -13.618 1.00 44.23 H new ATOM 856 N LEU A 52 -3.275 -11.532 -20.026 1.00 64.15 N ATOM 857 CA LEU A 52 -4.406 -11.623 -20.943 1.00 20.42 C ATOM 858 C LEU A 52 -4.943 -13.050 -21.004 1.00 53.32 C ATOM 859 O LEU A 52 -6.152 -13.272 -20.933 1.00 44.22 O ATOM 860 CB LEU A 52 -3.993 -11.161 -22.341 1.00 75.14 C ATOM 861 CG LEU A 52 -3.383 -9.762 -22.433 1.00 31.10 C ATOM 862 CD1 LEU A 52 -2.615 -9.599 -23.735 1.00 60.04 C ATOM 863 CD2 LEU A 52 -4.465 -8.699 -22.313 1.00 74.13 C ATOM 0 H LEU A 52 -2.407 -11.217 -20.458 1.00 64.15 H new ATOM 0 HA LEU A 52 -5.197 -10.972 -20.571 1.00 20.42 H new ATOM 0 HB2 LEU A 52 -3.274 -11.876 -22.740 1.00 75.14 H new ATOM 0 HB3 LEU A 52 -4.870 -11.196 -22.987 1.00 75.14 H new ATOM 0 HG LEU A 52 -2.685 -9.636 -21.605 1.00 31.10 H new ATOM 0 HD11 LEU A 52 -2.188 -8.597 -23.783 1.00 60.04 H new ATOM 0 HD12 LEU A 52 -1.814 -10.337 -23.780 1.00 60.04 H new ATOM 0 HD13 LEU A 52 -3.291 -9.746 -24.577 1.00 60.04 H new ATOM 0 HD21 LEU A 52 -4.012 -7.710 -22.381 1.00 74.13 H new ATOM 0 HD22 LEU A 52 -5.188 -8.823 -23.119 1.00 74.13 H new ATOM 0 HD23 LEU A 52 -4.971 -8.802 -21.353 1.00 74.13 H new ATOM 875 N ALA A 53 -4.037 -14.013 -21.134 1.00 41.25 N ATOM 876 CA ALA A 53 -4.419 -15.418 -21.201 1.00 14.22 C ATOM 877 C ALA A 53 -4.946 -15.908 -19.856 1.00 40.51 C ATOM 878 O ALA A 53 -5.827 -16.765 -19.800 1.00 2.12 O ATOM 879 CB ALA A 53 -3.238 -16.266 -21.648 1.00 2.13 C ATOM 0 H ALA A 53 -3.033 -13.846 -21.195 1.00 41.25 H new ATOM 0 HA ALA A 53 -5.220 -15.517 -21.934 1.00 14.22 H new ATOM 0 HB1 ALA A 53 -3.538 -17.313 -21.693 1.00 2.13 H new ATOM 0 HB2 ALA A 53 -2.909 -15.940 -22.635 1.00 2.13 H new ATOM 0 HB3 ALA A 53 -2.420 -16.154 -20.937 1.00 2.13 H new ATOM 885 N GLU A 54 -4.400 -15.358 -18.776 1.00 41.40 N ATOM 886 CA GLU A 54 -4.815 -15.741 -17.432 1.00 1.13 C ATOM 887 C GLU A 54 -6.275 -15.372 -17.187 1.00 73.33 C ATOM 888 O GLU A 54 -7.069 -16.200 -16.741 1.00 10.12 O ATOM 889 CB GLU A 54 -3.925 -15.064 -16.387 1.00 21.41 C ATOM 890 CG GLU A 54 -2.548 -15.694 -16.261 1.00 2.11 C ATOM 891 CD GLU A 54 -2.544 -16.913 -15.359 1.00 1.10 C ATOM 892 OE1 GLU A 54 -3.149 -17.936 -15.742 1.00 54.35 O ATOM 893 OE2 GLU A 54 -1.936 -16.844 -14.270 1.00 71.34 O ATOM 0 H GLU A 54 -3.670 -14.646 -18.806 1.00 41.40 H new ATOM 0 HA GLU A 54 -4.711 -16.822 -17.342 1.00 1.13 H new ATOM 0 HB2 GLU A 54 -3.811 -14.011 -16.646 1.00 21.41 H new ATOM 0 HB3 GLU A 54 -4.423 -15.102 -15.418 1.00 21.41 H new ATOM 0 HG2 GLU A 54 -2.191 -15.978 -17.251 1.00 2.11 H new ATOM 0 HG3 GLU A 54 -1.849 -14.955 -15.870 1.00 2.11 H new ATOM 900 N ALA A 55 -6.622 -14.124 -17.483 1.00 2.31 N ATOM 901 CA ALA A 55 -7.986 -13.645 -17.297 1.00 60.10 C ATOM 902 C ALA A 55 -8.926 -14.248 -18.336 1.00 24.24 C ATOM 903 O ALA A 55 -10.062 -14.606 -18.025 1.00 53.43 O ATOM 904 CB ALA A 55 -8.026 -12.126 -17.365 1.00 51.33 C ATOM 0 H ALA A 55 -5.977 -13.426 -17.853 1.00 2.31 H new ATOM 0 HA ALA A 55 -8.325 -13.962 -16.311 1.00 60.10 H new ATOM 0 HB1 ALA A 55 -9.051 -11.782 -17.224 1.00 51.33 H new ATOM 0 HB2 ALA A 55 -7.393 -11.710 -16.581 1.00 51.33 H new ATOM 0 HB3 ALA A 55 -7.663 -11.796 -18.338 1.00 51.33 H new ATOM 910 N TYR A 56 -8.445 -14.358 -19.569 1.00 5.12 N ATOM 911 CA TYR A 56 -9.243 -14.915 -20.654 1.00 51.01 C ATOM 912 C TYR A 56 -9.610 -16.368 -20.370 1.00 60.41 C ATOM 913 O TYR A 56 -10.628 -16.867 -20.849 1.00 23.41 O ATOM 914 CB TYR A 56 -8.482 -14.819 -21.977 1.00 44.22 C ATOM 915 CG TYR A 56 -9.037 -15.714 -23.062 1.00 2.01 C ATOM 916 CD1 TYR A 56 -10.076 -15.287 -23.879 1.00 12.43 C ATOM 917 CD2 TYR A 56 -8.521 -16.987 -23.270 1.00 62.24 C ATOM 918 CE1 TYR A 56 -10.587 -16.102 -24.870 1.00 42.43 C ATOM 919 CE2 TYR A 56 -9.024 -17.809 -24.261 1.00 13.43 C ATOM 920 CZ TYR A 56 -10.058 -17.361 -25.058 1.00 25.45 C ATOM 921 OH TYR A 56 -10.562 -18.176 -26.045 1.00 55.22 O ATOM 0 H TYR A 56 -7.506 -14.069 -19.842 1.00 5.12 H new ATOM 0 HA TYR A 56 -10.163 -14.335 -20.729 1.00 51.01 H new ATOM 0 HB2 TYR A 56 -8.503 -13.786 -22.324 1.00 44.22 H new ATOM 0 HB3 TYR A 56 -7.437 -15.076 -21.805 1.00 44.22 H new ATOM 0 HD1 TYR A 56 -10.492 -14.300 -23.737 1.00 12.43 H new ATOM 0 HD2 TYR A 56 -7.713 -17.340 -22.647 1.00 62.24 H new ATOM 0 HE1 TYR A 56 -11.397 -15.755 -25.494 1.00 42.43 H new ATOM 0 HE2 TYR A 56 -8.611 -18.795 -24.411 1.00 13.43 H new ATOM 0 HH TYR A 56 -10.078 -19.028 -26.045 1.00 55.22 H new ATOM 931 N GLU A 57 -8.772 -17.041 -19.587 1.00 35.02 N ATOM 932 CA GLU A 57 -9.008 -18.437 -19.239 1.00 31.34 C ATOM 933 C GLU A 57 -10.317 -18.593 -18.469 1.00 5.32 C ATOM 934 O GLU A 57 -11.124 -19.473 -18.766 1.00 21.32 O ATOM 935 CB GLU A 57 -7.846 -18.981 -18.406 1.00 22.45 C ATOM 936 CG GLU A 57 -6.805 -19.724 -19.226 1.00 24.44 C ATOM 937 CD GLU A 57 -5.482 -19.869 -18.497 1.00 55.32 C ATOM 938 OE1 GLU A 57 -4.427 -19.719 -19.149 1.00 15.23 O ATOM 939 OE2 GLU A 57 -5.502 -20.132 -17.277 1.00 14.43 O ATOM 0 H GLU A 57 -7.925 -16.642 -19.182 1.00 35.02 H new ATOM 0 HA GLU A 57 -9.081 -19.008 -20.165 1.00 31.34 H new ATOM 0 HB2 GLU A 57 -7.364 -18.153 -17.886 1.00 22.45 H new ATOM 0 HB3 GLU A 57 -8.240 -19.651 -17.642 1.00 22.45 H new ATOM 0 HG2 GLU A 57 -7.186 -20.713 -19.480 1.00 24.44 H new ATOM 0 HG3 GLU A 57 -6.642 -19.195 -20.165 1.00 24.44 H new ATOM 946 N VAL A 58 -10.519 -17.731 -17.477 1.00 41.22 N ATOM 947 CA VAL A 58 -11.729 -17.771 -16.664 1.00 45.13 C ATOM 948 C VAL A 58 -12.924 -17.214 -17.430 1.00 3.14 C ATOM 949 O VAL A 58 -14.029 -17.752 -17.353 1.00 52.14 O ATOM 950 CB VAL A 58 -11.553 -16.975 -15.358 1.00 13.44 C ATOM 951 CG1 VAL A 58 -12.817 -17.047 -14.514 1.00 71.22 C ATOM 952 CG2 VAL A 58 -10.352 -17.488 -14.578 1.00 71.22 C ATOM 0 H VAL A 58 -9.860 -16.997 -17.217 1.00 41.22 H new ATOM 0 HA VAL A 58 -11.913 -18.817 -16.421 1.00 45.13 H new ATOM 0 HB VAL A 58 -11.373 -15.930 -15.612 1.00 13.44 H new ATOM 0 HG11 VAL A 58 -12.674 -16.479 -13.595 1.00 71.22 H new ATOM 0 HG12 VAL A 58 -13.653 -16.627 -15.074 1.00 71.22 H new ATOM 0 HG13 VAL A 58 -13.031 -18.087 -14.268 1.00 71.22 H new ATOM 0 HG21 VAL A 58 -10.243 -16.914 -13.658 1.00 71.22 H new ATOM 0 HG22 VAL A 58 -10.499 -18.540 -14.334 1.00 71.22 H new ATOM 0 HG23 VAL A 58 -9.452 -17.379 -15.183 1.00 71.22 H new ATOM 962 N LEU A 59 -12.695 -16.133 -18.168 1.00 20.44 N ATOM 963 CA LEU A 59 -13.753 -15.502 -18.949 1.00 32.42 C ATOM 964 C LEU A 59 -14.085 -16.331 -20.186 1.00 2.03 C ATOM 965 O LEU A 59 -15.048 -16.045 -20.896 1.00 75.44 O ATOM 966 CB LEU A 59 -13.335 -14.091 -19.364 1.00 12.44 C ATOM 967 CG LEU A 59 -12.976 -13.135 -18.225 1.00 65.31 C ATOM 968 CD1 LEU A 59 -12.844 -11.712 -18.744 1.00 50.12 C ATOM 969 CD2 LEU A 59 -14.018 -13.207 -17.119 1.00 30.40 C ATOM 0 H LEU A 59 -11.786 -15.676 -18.242 1.00 20.44 H new ATOM 0 HA LEU A 59 -14.645 -15.441 -18.325 1.00 32.42 H new ATOM 0 HB2 LEU A 59 -12.476 -14.169 -20.030 1.00 12.44 H new ATOM 0 HB3 LEU A 59 -14.147 -13.648 -19.941 1.00 12.44 H new ATOM 0 HG LEU A 59 -12.015 -13.439 -17.811 1.00 65.31 H new ATOM 0 HD11 LEU A 59 -12.588 -11.046 -17.920 1.00 50.12 H new ATOM 0 HD12 LEU A 59 -12.060 -11.672 -19.500 1.00 50.12 H new ATOM 0 HD13 LEU A 59 -13.789 -11.396 -19.185 1.00 50.12 H new ATOM 0 HD21 LEU A 59 -13.746 -12.520 -16.317 1.00 30.40 H new ATOM 0 HD22 LEU A 59 -14.993 -12.929 -17.519 1.00 30.40 H new ATOM 0 HD23 LEU A 59 -14.063 -14.223 -16.727 1.00 30.40 H new ATOM 981 N SER A 60 -13.281 -17.360 -20.436 1.00 1.44 N ATOM 982 CA SER A 60 -13.488 -18.229 -21.588 1.00 20.34 C ATOM 983 C SER A 60 -14.676 -19.159 -21.360 1.00 12.10 C ATOM 984 O SER A 60 -15.192 -19.767 -22.298 1.00 43.33 O ATOM 985 CB SER A 60 -12.228 -19.052 -21.865 1.00 53.13 C ATOM 986 OG SER A 60 -12.505 -20.126 -22.747 1.00 22.31 O ATOM 0 H SER A 60 -12.481 -17.612 -19.856 1.00 1.44 H new ATOM 0 HA SER A 60 -13.701 -17.601 -22.453 1.00 20.34 H new ATOM 0 HB2 SER A 60 -11.459 -18.412 -22.297 1.00 53.13 H new ATOM 0 HB3 SER A 60 -11.830 -19.440 -20.928 1.00 53.13 H new ATOM 0 HG SER A 60 -11.684 -20.636 -22.910 1.00 22.31 H new ATOM 992 N ASP A 61 -15.105 -19.264 -20.107 1.00 53.12 N ATOM 993 CA ASP A 61 -16.233 -20.118 -19.754 1.00 73.24 C ATOM 994 C ASP A 61 -17.162 -19.414 -18.770 1.00 5.40 C ATOM 995 O ASP A 61 -16.706 -18.756 -17.835 1.00 63.02 O ATOM 996 CB ASP A 61 -15.736 -21.434 -19.153 1.00 41.34 C ATOM 997 CG ASP A 61 -16.569 -22.622 -19.592 1.00 65.24 C ATOM 998 OD1 ASP A 61 -16.079 -23.414 -20.424 1.00 61.13 O ATOM 999 OD2 ASP A 61 -17.710 -22.760 -19.105 1.00 11.13 O ATOM 0 H ASP A 61 -14.689 -18.768 -19.319 1.00 53.12 H new ATOM 0 HA ASP A 61 -16.793 -20.332 -20.664 1.00 73.24 H new ATOM 0 HB2 ASP A 61 -14.698 -21.594 -19.445 1.00 41.34 H new ATOM 0 HB3 ASP A 61 -15.754 -21.363 -18.065 1.00 41.34 H new ATOM 1004 N GLU A 62 -18.465 -19.555 -18.988 1.00 72.43 N ATOM 1005 CA GLU A 62 -19.457 -18.930 -18.121 1.00 23.52 C ATOM 1006 C GLU A 62 -19.368 -19.488 -16.703 1.00 72.22 C ATOM 1007 O GLU A 62 -19.504 -18.753 -15.725 1.00 72.11 O ATOM 1008 CB GLU A 62 -20.865 -19.148 -18.679 1.00 43.21 C ATOM 1009 CG GLU A 62 -21.194 -20.606 -18.949 1.00 31.42 C ATOM 1010 CD GLU A 62 -22.600 -20.798 -19.483 1.00 51.23 C ATOM 1011 OE1 GLU A 62 -22.849 -21.831 -20.140 1.00 40.40 O ATOM 1012 OE2 GLU A 62 -23.451 -19.915 -19.246 1.00 31.54 O ATOM 0 H GLU A 62 -18.859 -20.096 -19.758 1.00 72.43 H new ATOM 0 HA GLU A 62 -19.250 -17.860 -18.086 1.00 23.52 H new ATOM 0 HB2 GLU A 62 -21.592 -18.745 -17.974 1.00 43.21 H new ATOM 0 HB3 GLU A 62 -20.971 -18.583 -19.605 1.00 43.21 H new ATOM 0 HG2 GLU A 62 -20.479 -21.009 -19.666 1.00 31.42 H new ATOM 0 HG3 GLU A 62 -21.078 -21.177 -18.028 1.00 31.42 H new ATOM 1019 N VAL A 63 -19.140 -20.794 -16.600 1.00 43.34 N ATOM 1020 CA VAL A 63 -19.032 -21.451 -15.303 1.00 73.25 C ATOM 1021 C VAL A 63 -17.829 -20.935 -14.523 1.00 43.44 C ATOM 1022 O VAL A 63 -17.946 -20.556 -13.358 1.00 21.24 O ATOM 1023 CB VAL A 63 -18.913 -22.979 -15.457 1.00 73.20 C ATOM 1024 CG1 VAL A 63 -18.994 -23.660 -14.099 1.00 61.34 C ATOM 1025 CG2 VAL A 63 -19.992 -23.506 -16.392 1.00 3.12 C ATOM 0 H VAL A 63 -19.027 -21.417 -17.399 1.00 43.34 H new ATOM 0 HA VAL A 63 -19.944 -21.218 -14.753 1.00 73.25 H new ATOM 0 HB VAL A 63 -17.941 -23.208 -15.895 1.00 73.20 H new ATOM 0 HG11 VAL A 63 -18.908 -24.739 -14.227 1.00 61.34 H new ATOM 0 HG12 VAL A 63 -18.182 -23.304 -13.465 1.00 61.34 H new ATOM 0 HG13 VAL A 63 -19.950 -23.425 -13.631 1.00 61.34 H new ATOM 0 HG21 VAL A 63 -19.893 -24.587 -16.489 1.00 3.12 H new ATOM 0 HG22 VAL A 63 -20.975 -23.267 -15.985 1.00 3.12 H new ATOM 0 HG23 VAL A 63 -19.882 -23.042 -17.372 1.00 3.12 H new ATOM 1035 N LYS A 64 -16.670 -20.921 -15.174 1.00 54.33 N ATOM 1036 CA LYS A 64 -15.443 -20.449 -14.544 1.00 14.24 C ATOM 1037 C LYS A 64 -15.558 -18.975 -14.166 1.00 21.54 C ATOM 1038 O LYS A 64 -15.153 -18.572 -13.075 1.00 51.43 O ATOM 1039 CB LYS A 64 -14.252 -20.654 -15.482 1.00 22.54 C ATOM 1040 CG LYS A 64 -13.807 -22.103 -15.592 1.00 12.34 C ATOM 1041 CD LYS A 64 -12.314 -22.209 -15.853 1.00 31.35 C ATOM 1042 CE LYS A 64 -11.504 -21.810 -14.629 1.00 14.25 C ATOM 1043 NZ LYS A 64 -11.173 -22.984 -13.775 1.00 63.44 N ATOM 0 H LYS A 64 -16.555 -21.232 -16.139 1.00 54.33 H new ATOM 0 HA LYS A 64 -15.285 -21.028 -13.634 1.00 14.24 H new ATOM 0 HB2 LYS A 64 -14.514 -20.287 -16.474 1.00 22.54 H new ATOM 0 HB3 LYS A 64 -13.415 -20.051 -15.130 1.00 22.54 H new ATOM 0 HG2 LYS A 64 -14.055 -22.632 -14.672 1.00 12.34 H new ATOM 0 HG3 LYS A 64 -14.354 -22.592 -16.398 1.00 12.34 H new ATOM 0 HD2 LYS A 64 -12.065 -23.231 -16.138 1.00 31.35 H new ATOM 0 HD3 LYS A 64 -12.044 -21.569 -16.693 1.00 31.35 H new ATOM 0 HE2 LYS A 64 -10.583 -21.321 -14.947 1.00 14.25 H new ATOM 0 HE3 LYS A 64 -12.066 -21.082 -14.044 1.00 14.25 H new ATOM 0 HZ1 LYS A 64 -10.621 -22.670 -12.952 1.00 63.44 H new ATOM 0 HZ2 LYS A 64 -12.052 -23.436 -13.450 1.00 63.44 H new ATOM 0 HZ3 LYS A 64 -10.615 -23.667 -14.326 1.00 63.44 H new ATOM 1057 N ARG A 65 -16.113 -18.178 -15.072 1.00 42.14 N ATOM 1058 CA ARG A 65 -16.281 -16.750 -14.833 1.00 45.42 C ATOM 1059 C ARG A 65 -17.268 -16.501 -13.697 1.00 13.10 C ATOM 1060 O ARG A 65 -16.998 -15.721 -12.784 1.00 4.32 O ATOM 1061 CB ARG A 65 -16.764 -16.051 -16.105 1.00 61.14 C ATOM 1062 CG ARG A 65 -17.036 -14.567 -15.920 1.00 32.33 C ATOM 1063 CD ARG A 65 -17.780 -13.984 -17.111 1.00 42.00 C ATOM 1064 NE ARG A 65 -19.099 -14.587 -17.282 1.00 22.32 N ATOM 1065 CZ ARG A 65 -20.086 -14.015 -17.962 1.00 31.30 C ATOM 1066 NH1 ARG A 65 -19.904 -12.832 -18.532 1.00 71.34 N ATOM 1067 NH2 ARG A 65 -21.258 -14.627 -18.073 1.00 73.01 N ATOM 0 H ARG A 65 -16.454 -18.497 -15.979 1.00 42.14 H new ATOM 0 HA ARG A 65 -15.313 -16.339 -14.547 1.00 45.42 H new ATOM 0 HB2 ARG A 65 -16.015 -16.180 -16.887 1.00 61.14 H new ATOM 0 HB3 ARG A 65 -17.675 -16.538 -16.453 1.00 61.14 H new ATOM 0 HG2 ARG A 65 -17.621 -14.414 -15.013 1.00 32.33 H new ATOM 0 HG3 ARG A 65 -16.093 -14.037 -15.784 1.00 32.33 H new ATOM 0 HD2 ARG A 65 -17.888 -12.907 -16.979 1.00 42.00 H new ATOM 0 HD3 ARG A 65 -17.192 -14.137 -18.016 1.00 42.00 H new ATOM 0 HE ARG A 65 -19.272 -15.497 -16.856 1.00 22.32 H new ATOM 0 HH11 ARG A 65 -19.004 -12.359 -18.449 1.00 71.34 H new ATOM 0 HH12 ARG A 65 -20.664 -12.395 -19.054 1.00 71.34 H new ATOM 0 HH21 ARG A 65 -21.401 -15.537 -17.636 1.00 73.01 H new ATOM 0 HH22 ARG A 65 -22.016 -14.187 -18.595 1.00 73.01 H new ATOM 1081 N LYS A 66 -18.415 -17.169 -13.760 1.00 70.11 N ATOM 1082 CA LYS A 66 -19.444 -17.022 -12.737 1.00 61.44 C ATOM 1083 C LYS A 66 -18.918 -17.451 -11.371 1.00 40.02 C ATOM 1084 O LYS A 66 -19.139 -16.770 -10.370 1.00 43.23 O ATOM 1085 CB LYS A 66 -20.678 -17.851 -13.103 1.00 44.54 C ATOM 1086 CG LYS A 66 -21.499 -17.251 -14.232 1.00 34.44 C ATOM 1087 CD LYS A 66 -22.218 -15.988 -13.788 1.00 33.40 C ATOM 1088 CE LYS A 66 -22.396 -15.014 -14.942 1.00 52.21 C ATOM 1089 NZ LYS A 66 -23.260 -15.578 -16.016 1.00 13.51 N ATOM 0 H LYS A 66 -18.656 -17.818 -14.509 1.00 70.11 H new ATOM 0 HA LYS A 66 -19.723 -15.969 -12.686 1.00 61.44 H new ATOM 0 HB2 LYS A 66 -20.360 -18.854 -13.389 1.00 44.54 H new ATOM 0 HB3 LYS A 66 -21.310 -17.956 -12.221 1.00 44.54 H new ATOM 0 HG2 LYS A 66 -20.847 -17.022 -15.075 1.00 34.44 H new ATOM 0 HG3 LYS A 66 -22.228 -17.982 -14.581 1.00 34.44 H new ATOM 0 HD2 LYS A 66 -23.193 -16.249 -13.377 1.00 33.40 H new ATOM 0 HD3 LYS A 66 -21.653 -15.508 -12.989 1.00 33.40 H new ATOM 0 HE2 LYS A 66 -22.836 -14.088 -14.571 1.00 52.21 H new ATOM 0 HE3 LYS A 66 -21.420 -14.760 -15.357 1.00 52.21 H new ATOM 0 HZ1 LYS A 66 -23.426 -14.854 -16.744 1.00 13.51 H new ATOM 0 HZ2 LYS A 66 -22.788 -16.399 -16.446 1.00 13.51 H new ATOM 0 HZ3 LYS A 66 -24.170 -15.875 -15.609 1.00 13.51 H new ATOM 1103 N GLN A 67 -18.221 -18.582 -11.339 1.00 31.34 N ATOM 1104 CA GLN A 67 -17.664 -19.100 -10.095 1.00 4.13 C ATOM 1105 C GLN A 67 -16.705 -18.093 -9.467 1.00 71.12 C ATOM 1106 O GLN A 67 -16.696 -17.904 -8.251 1.00 31.54 O ATOM 1107 CB GLN A 67 -16.939 -20.423 -10.348 1.00 4.13 C ATOM 1108 CG GLN A 67 -17.873 -21.618 -10.455 1.00 5.51 C ATOM 1109 CD GLN A 67 -18.735 -21.797 -9.221 1.00 50.32 C ATOM 1110 OE1 GLN A 67 -18.324 -22.431 -8.249 1.00 71.11 O ATOM 1111 NE2 GLN A 67 -19.939 -21.237 -9.254 1.00 22.03 N ATOM 0 H GLN A 67 -18.029 -19.157 -12.159 1.00 31.34 H new ATOM 0 HA GLN A 67 -18.487 -19.272 -9.401 1.00 4.13 H new ATOM 0 HB2 GLN A 67 -16.361 -20.341 -11.268 1.00 4.13 H new ATOM 0 HB3 GLN A 67 -16.229 -20.599 -9.540 1.00 4.13 H new ATOM 0 HG2 GLN A 67 -18.515 -21.496 -11.327 1.00 5.51 H new ATOM 0 HG3 GLN A 67 -17.284 -22.521 -10.617 1.00 5.51 H new ATOM 0 HE21 GLN A 67 -20.239 -20.720 -10.081 1.00 22.03 H new ATOM 0 HE22 GLN A 67 -20.564 -21.324 -8.453 1.00 22.03 H new ATOM 1120 N TYR A 68 -15.900 -17.450 -10.305 1.00 4.42 N ATOM 1121 CA TYR A 68 -14.935 -16.464 -9.832 1.00 0.22 C ATOM 1122 C TYR A 68 -15.642 -15.223 -9.295 1.00 74.14 C ATOM 1123 O TYR A 68 -15.171 -14.584 -8.355 1.00 11.13 O ATOM 1124 CB TYR A 68 -13.980 -16.072 -10.960 1.00 65.12 C ATOM 1125 CG TYR A 68 -12.911 -15.090 -10.535 1.00 61.44 C ATOM 1126 CD1 TYR A 68 -11.819 -15.505 -9.782 1.00 14.20 C ATOM 1127 CD2 TYR A 68 -12.993 -13.749 -10.886 1.00 50.42 C ATOM 1128 CE1 TYR A 68 -10.841 -14.611 -9.391 1.00 22.52 C ATOM 1129 CE2 TYR A 68 -12.019 -12.849 -10.501 1.00 5.41 C ATOM 1130 CZ TYR A 68 -10.945 -13.285 -9.753 1.00 44.32 C ATOM 1131 OH TYR A 68 -9.973 -12.391 -9.366 1.00 45.11 O ATOM 0 H TYR A 68 -15.896 -17.593 -11.315 1.00 4.42 H new ATOM 0 HA TYR A 68 -14.363 -16.914 -9.020 1.00 0.22 H new ATOM 0 HB2 TYR A 68 -13.502 -16.971 -11.349 1.00 65.12 H new ATOM 0 HB3 TYR A 68 -14.556 -15.638 -11.778 1.00 65.12 H new ATOM 0 HD1 TYR A 68 -11.734 -16.543 -9.498 1.00 14.20 H new ATOM 0 HD2 TYR A 68 -13.833 -13.404 -11.470 1.00 50.42 H new ATOM 0 HE1 TYR A 68 -9.999 -14.949 -8.805 1.00 22.52 H new ATOM 0 HE2 TYR A 68 -12.098 -11.810 -10.784 1.00 5.41 H new ATOM 0 HH TYR A 68 -10.196 -11.499 -9.704 1.00 45.11 H new ATOM 1141 N ASP A 69 -16.777 -14.889 -9.901 1.00 22.14 N ATOM 1142 CA ASP A 69 -17.552 -13.726 -9.484 1.00 60.22 C ATOM 1143 C ASP A 69 -18.223 -13.975 -8.137 1.00 54.31 C ATOM 1144 O ASP A 69 -18.462 -13.042 -7.370 1.00 24.41 O ATOM 1145 CB ASP A 69 -18.606 -13.385 -10.538 1.00 73.34 C ATOM 1146 CG ASP A 69 -19.655 -12.423 -10.018 1.00 15.32 C ATOM 1147 OD1 ASP A 69 -20.844 -12.806 -9.975 1.00 43.44 O ATOM 1148 OD2 ASP A 69 -19.288 -11.287 -9.652 1.00 14.21 O ATOM 0 H ASP A 69 -17.180 -15.407 -10.682 1.00 22.14 H new ATOM 0 HA ASP A 69 -16.869 -12.883 -9.379 1.00 60.22 H new ATOM 0 HB2 ASP A 69 -18.117 -12.948 -11.409 1.00 73.34 H new ATOM 0 HB3 ASP A 69 -19.092 -14.302 -10.872 1.00 73.34 H new ATOM 1153 N ALA A 70 -18.527 -15.238 -7.857 1.00 41.11 N ATOM 1154 CA ALA A 70 -19.170 -15.609 -6.603 1.00 0.03 C ATOM 1155 C ALA A 70 -18.259 -15.324 -5.413 1.00 60.15 C ATOM 1156 O ALA A 70 -18.730 -15.074 -4.304 1.00 14.01 O ATOM 1157 CB ALA A 70 -19.566 -17.078 -6.627 1.00 2.11 C ATOM 0 H ALA A 70 -18.338 -16.022 -8.482 1.00 41.11 H new ATOM 0 HA ALA A 70 -20.069 -15.003 -6.492 1.00 0.03 H new ATOM 0 HB1 ALA A 70 -20.045 -17.341 -5.684 1.00 2.11 H new ATOM 0 HB2 ALA A 70 -20.260 -17.254 -7.448 1.00 2.11 H new ATOM 0 HB3 ALA A 70 -18.676 -17.692 -6.766 1.00 2.11 H new ATOM 1163 N TYR A 71 -16.953 -15.364 -5.652 1.00 21.30 N ATOM 1164 CA TYR A 71 -15.976 -15.114 -4.599 1.00 43.43 C ATOM 1165 C TYR A 71 -15.440 -13.687 -4.682 1.00 31.44 C ATOM 1166 O TYR A 71 -14.815 -13.192 -3.745 1.00 15.42 O ATOM 1167 CB TYR A 71 -14.820 -16.111 -4.699 1.00 51.31 C ATOM 1168 CG TYR A 71 -15.064 -17.398 -3.945 1.00 33.22 C ATOM 1169 CD1 TYR A 71 -14.317 -17.718 -2.818 1.00 34.05 C ATOM 1170 CD2 TYR A 71 -16.041 -18.295 -4.359 1.00 61.15 C ATOM 1171 CE1 TYR A 71 -14.536 -18.893 -2.125 1.00 74.44 C ATOM 1172 CE2 TYR A 71 -16.268 -19.472 -3.673 1.00 1.03 C ATOM 1173 CZ TYR A 71 -15.513 -19.767 -2.557 1.00 0.24 C ATOM 1174 OH TYR A 71 -15.735 -20.939 -1.871 1.00 10.24 O ATOM 0 H TYR A 71 -16.547 -15.567 -6.565 1.00 21.30 H new ATOM 0 HA TYR A 71 -16.474 -15.241 -3.638 1.00 43.43 H new ATOM 0 HB2 TYR A 71 -14.641 -16.343 -5.749 1.00 51.31 H new ATOM 0 HB3 TYR A 71 -13.913 -15.642 -4.317 1.00 51.31 H new ATOM 0 HD1 TYR A 71 -13.552 -17.036 -2.478 1.00 34.05 H new ATOM 0 HD2 TYR A 71 -16.634 -18.068 -5.233 1.00 61.15 H new ATOM 0 HE1 TYR A 71 -13.946 -19.126 -1.251 1.00 74.44 H new ATOM 0 HE2 TYR A 71 -17.032 -20.157 -4.008 1.00 1.03 H new ATOM 0 HH TYR A 71 -16.457 -21.440 -2.305 1.00 10.24 H new ATOM 1184 N GLY A 72 -15.691 -13.032 -5.811 1.00 64.32 N ATOM 1185 CA GLY A 72 -15.228 -11.669 -5.997 1.00 21.34 C ATOM 1186 C GLY A 72 -15.945 -10.686 -5.094 1.00 13.35 C ATOM 1187 O GLY A 72 -17.012 -10.987 -4.559 1.00 74.43 O ATOM 0 H GLY A 72 -16.207 -13.421 -6.600 1.00 64.32 H new ATOM 0 HA2 GLY A 72 -14.157 -11.622 -5.802 1.00 21.34 H new ATOM 0 HA3 GLY A 72 -15.375 -11.377 -7.037 1.00 21.34 H new ATOM 1191 N SER A 73 -15.358 -9.506 -4.921 1.00 24.01 N ATOM 1192 CA SER A 73 -15.945 -8.476 -4.071 1.00 62.55 C ATOM 1193 C SER A 73 -17.049 -7.727 -4.811 1.00 10.13 C ATOM 1194 O SER A 73 -18.002 -7.245 -4.200 1.00 44.21 O ATOM 1195 CB SER A 73 -14.868 -7.494 -3.607 1.00 14.41 C ATOM 1196 OG SER A 73 -15.422 -6.483 -2.782 1.00 31.55 O ATOM 0 H SER A 73 -14.476 -9.239 -5.358 1.00 24.01 H new ATOM 0 HA SER A 73 -16.382 -8.963 -3.199 1.00 62.55 H new ATOM 0 HB2 SER A 73 -14.093 -8.031 -3.059 1.00 14.41 H new ATOM 0 HB3 SER A 73 -14.389 -7.039 -4.474 1.00 14.41 H new ATOM 0 HG SER A 73 -14.714 -5.869 -2.497 1.00 31.55 H new TER 1202 SER A 73