USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -150:sc= 0.361 USER MOD Set 1.2: A 121 CYS SG : rot 109:sc= 0.997 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0691 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.033) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 40:sc= 0.0074 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.0812 (180deg=-0.0812) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 84:sc= 0.823 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 69 SER OG : rot -36:sc= 0.0654 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 88:sc= 0.0449 USER MOD Single : A 78 MET CE :methyl -175:sc= 0 (180deg=-0.0384) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -47:sc= 0.864 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -76:sc= 0.716 USER MOD Single : A 128 MET CE :methyl 178:sc= 0 (180deg=-0.00156) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 8.655 5.431 -6.340 1.00 74.33 N ATOM 56 CA GLU A 6 9.236 5.158 -7.649 1.00 42.24 C ATOM 57 C GLU A 6 8.550 5.985 -8.733 1.00 15.24 C ATOM 58 O GLU A 6 9.179 6.768 -9.444 1.00 3.30 O ATOM 59 CB GLU A 6 9.124 3.669 -7.982 1.00 23.22 C ATOM 60 CG GLU A 6 8.952 3.387 -9.465 1.00 44.40 C ATOM 61 CD GLU A 6 9.188 1.930 -9.813 1.00 53.54 C ATOM 62 OE1 GLU A 6 10.077 1.309 -9.195 1.00 3.42 O ATOM 63 OE2 GLU A 6 8.483 1.412 -10.704 1.00 62.42 O ATOM 0 HA GLU A 6 10.289 5.437 -7.615 1.00 42.24 H new ATOM 0 HB2 GLU A 6 10.018 3.158 -7.625 1.00 23.22 H new ATOM 0 HB3 GLU A 6 8.278 3.247 -7.440 1.00 23.22 H new ATOM 0 HG2 GLU A 6 7.945 3.671 -9.771 1.00 44.40 H new ATOM 0 HG3 GLU A 6 9.645 4.009 -10.032 1.00 44.40 H new ATOM 70 N PRO A 7 7.226 5.808 -8.862 1.00 63.33 N ATOM 71 CA PRO A 7 6.425 6.528 -9.856 1.00 14.01 C ATOM 72 C PRO A 7 6.293 8.012 -9.529 1.00 74.41 C ATOM 73 O PRO A 7 6.139 8.844 -10.424 1.00 70.22 O ATOM 74 CB PRO A 7 5.060 5.840 -9.777 1.00 72.41 C ATOM 75 CG PRO A 7 5.000 5.273 -8.400 1.00 50.54 C ATOM 76 CD PRO A 7 6.411 4.891 -8.048 1.00 71.44 C ATOM 0 HA PRO A 7 6.878 6.494 -10.847 1.00 14.01 H new ATOM 0 HB2 PRO A 7 4.249 6.548 -9.949 1.00 72.41 H new ATOM 0 HB3 PRO A 7 4.966 5.059 -10.531 1.00 72.41 H new ATOM 0 HG2 PRO A 7 4.606 6.004 -7.694 1.00 50.54 H new ATOM 0 HG3 PRO A 7 4.340 4.406 -8.363 1.00 50.54 H new ATOM 0 HD2 PRO A 7 6.607 5.016 -6.983 1.00 71.44 H new ATOM 0 HD3 PRO A 7 6.617 3.848 -8.290 1.00 71.44 H new ATOM 84 N LEU A 8 6.354 8.337 -8.243 1.00 34.24 N ATOM 85 CA LEU A 8 6.241 9.722 -7.797 1.00 64.53 C ATOM 86 C LEU A 8 7.532 10.487 -8.069 1.00 43.32 C ATOM 87 O LEU A 8 7.556 11.718 -8.032 1.00 61.33 O ATOM 88 CB LEU A 8 5.909 9.773 -6.305 1.00 24.30 C ATOM 89 CG LEU A 8 4.915 10.852 -5.875 1.00 72.23 C ATOM 90 CD1 LEU A 8 3.663 10.220 -5.286 1.00 3.01 C ATOM 91 CD2 LEU A 8 5.557 11.801 -4.874 1.00 43.14 C ATOM 0 H LEU A 8 6.481 7.661 -7.490 1.00 34.24 H new ATOM 0 HA LEU A 8 5.435 10.194 -8.358 1.00 64.53 H new ATOM 0 HB2 LEU A 8 5.512 8.802 -6.008 1.00 24.30 H new ATOM 0 HB3 LEU A 8 6.836 9.920 -5.752 1.00 24.30 H new ATOM 0 HG LEU A 8 4.628 11.426 -6.756 1.00 72.23 H new ATOM 0 HD11 LEU A 8 2.967 11.003 -4.986 1.00 3.01 H new ATOM 0 HD12 LEU A 8 3.191 9.582 -6.034 1.00 3.01 H new ATOM 0 HD13 LEU A 8 3.933 9.621 -4.416 1.00 3.01 H new ATOM 0 HD21 LEU A 8 4.835 12.562 -4.579 1.00 43.14 H new ATOM 0 HD22 LEU A 8 5.874 11.242 -3.994 1.00 43.14 H new ATOM 0 HD23 LEU A 8 6.423 12.280 -5.331 1.00 43.14 H new ATOM 103 N PHE A 9 8.604 9.751 -8.344 1.00 50.34 N ATOM 104 CA PHE A 9 9.899 10.361 -8.624 1.00 72.02 C ATOM 105 C PHE A 9 9.820 11.267 -9.849 1.00 52.51 C ATOM 106 O PHE A 9 10.577 12.230 -9.972 1.00 41.51 O ATOM 107 CB PHE A 9 10.959 9.280 -8.844 1.00 32.45 C ATOM 108 CG PHE A 9 12.298 9.626 -8.259 1.00 22.34 C ATOM 109 CD1 PHE A 9 12.495 9.609 -6.887 1.00 43.43 C ATOM 110 CD2 PHE A 9 13.360 9.968 -9.080 1.00 62.23 C ATOM 111 CE1 PHE A 9 13.727 9.927 -6.346 1.00 13.02 C ATOM 112 CE2 PHE A 9 14.594 10.286 -8.545 1.00 32.14 C ATOM 113 CZ PHE A 9 14.777 10.267 -7.176 1.00 20.33 C ATOM 0 H PHE A 9 8.602 8.732 -8.379 1.00 50.34 H new ATOM 0 HA PHE A 9 10.181 10.967 -7.763 1.00 72.02 H new ATOM 0 HB2 PHE A 9 10.610 8.345 -8.405 1.00 32.45 H new ATOM 0 HB3 PHE A 9 11.073 9.106 -9.914 1.00 32.45 H new ATOM 0 HD1 PHE A 9 11.677 9.344 -6.233 1.00 43.43 H new ATOM 0 HD2 PHE A 9 13.222 9.986 -10.151 1.00 62.23 H new ATOM 0 HE1 PHE A 9 13.868 9.910 -5.275 1.00 13.02 H new ATOM 0 HE2 PHE A 9 15.414 10.549 -9.197 1.00 32.14 H new ATOM 0 HZ PHE A 9 15.740 10.518 -6.755 1.00 20.33 H new ATOM 123 N TYR A 10 8.899 10.952 -10.753 1.00 33.24 N ATOM 124 CA TYR A 10 8.722 11.735 -11.970 1.00 30.03 C ATOM 125 C TYR A 10 8.019 13.056 -11.670 1.00 62.34 C ATOM 126 O TYR A 10 8.567 14.133 -11.908 1.00 21.22 O ATOM 127 CB TYR A 10 7.920 10.940 -13.001 1.00 35.31 C ATOM 128 CG TYR A 10 8.405 11.126 -14.421 1.00 25.44 C ATOM 129 CD1 TYR A 10 8.050 12.250 -15.155 1.00 44.33 C ATOM 130 CD2 TYR A 10 9.219 10.177 -15.028 1.00 35.45 C ATOM 131 CE1 TYR A 10 8.491 12.424 -16.453 1.00 4.30 C ATOM 132 CE2 TYR A 10 9.665 10.343 -16.324 1.00 63.10 C ATOM 133 CZ TYR A 10 9.299 11.468 -17.033 1.00 11.13 C ATOM 134 OH TYR A 10 9.741 11.637 -18.325 1.00 32.21 O ATOM 0 H TYR A 10 8.263 10.159 -10.666 1.00 33.24 H new ATOM 0 HA TYR A 10 9.709 11.954 -12.378 1.00 30.03 H new ATOM 0 HB2 TYR A 10 7.966 9.881 -12.746 1.00 35.31 H new ATOM 0 HB3 TYR A 10 6.873 11.237 -12.942 1.00 35.31 H new ATOM 0 HD1 TYR A 10 7.418 13.001 -14.704 1.00 44.33 H new ATOM 0 HD2 TYR A 10 9.508 9.295 -14.476 1.00 35.45 H new ATOM 0 HE1 TYR A 10 8.205 13.304 -17.010 1.00 4.30 H new ATOM 0 HE2 TYR A 10 10.297 9.596 -16.780 1.00 63.10 H new ATOM 0 HH TYR A 10 10.300 10.874 -18.582 1.00 32.21 H new ATOM 144 N THR A 11 6.801 12.965 -11.146 1.00 72.23 N ATOM 145 CA THR A 11 6.021 14.151 -10.814 1.00 62.53 C ATOM 146 C THR A 11 6.818 15.102 -9.929 1.00 51.44 C ATOM 147 O THR A 11 6.772 16.319 -10.112 1.00 45.25 O ATOM 148 CB THR A 11 4.710 13.778 -10.098 1.00 34.04 C ATOM 149 OG1 THR A 11 4.034 14.964 -9.664 1.00 24.11 O ATOM 150 CG2 THR A 11 4.983 12.878 -8.902 1.00 21.00 C ATOM 0 H THR A 11 6.333 12.082 -10.942 1.00 72.23 H new ATOM 0 HA THR A 11 5.784 14.648 -11.755 1.00 62.53 H new ATOM 0 HB THR A 11 4.079 13.237 -10.803 1.00 34.04 H new ATOM 0 HG1 THR A 11 3.200 14.718 -9.211 1.00 24.11 H new ATOM 0 HG21 THR A 11 4.042 12.628 -8.412 1.00 21.00 H new ATOM 0 HG22 THR A 11 5.471 11.963 -9.239 1.00 21.00 H new ATOM 0 HG23 THR A 11 5.632 13.397 -8.197 1.00 21.00 H new ATOM 158 N ILE A 12 7.547 14.541 -8.971 1.00 41.10 N ATOM 159 CA ILE A 12 8.355 15.341 -8.059 1.00 44.02 C ATOM 160 C ILE A 12 9.467 16.071 -8.806 1.00 32.21 C ATOM 161 O ILE A 12 9.712 17.253 -8.573 1.00 2.54 O ATOM 162 CB ILE A 12 8.981 14.473 -6.952 1.00 32.53 C ATOM 163 CG1 ILE A 12 7.911 14.042 -5.946 1.00 2.33 C ATOM 164 CG2 ILE A 12 10.099 15.231 -6.252 1.00 62.43 C ATOM 165 CD1 ILE A 12 7.470 15.154 -5.020 1.00 51.42 C ATOM 0 H ILE A 12 7.595 13.536 -8.806 1.00 41.10 H new ATOM 0 HA ILE A 12 7.686 16.071 -7.603 1.00 44.02 H new ATOM 0 HB ILE A 12 9.406 13.579 -7.408 1.00 32.53 H new ATOM 0 HG12 ILE A 12 7.044 13.667 -6.489 1.00 2.33 H new ATOM 0 HG13 ILE A 12 8.296 13.215 -5.350 1.00 2.33 H new ATOM 0 HG21 ILE A 12 10.531 14.604 -5.472 1.00 62.43 H new ATOM 0 HG22 ILE A 12 10.870 15.493 -6.976 1.00 62.43 H new ATOM 0 HG23 ILE A 12 9.698 16.141 -5.805 1.00 62.43 H new ATOM 0 HD11 ILE A 12 6.711 14.777 -4.335 1.00 51.42 H new ATOM 0 HD12 ILE A 12 8.327 15.514 -4.450 1.00 51.42 H new ATOM 0 HD13 ILE A 12 7.054 15.973 -5.607 1.00 51.42 H new ATOM 177 N ASN A 13 10.135 15.357 -9.706 1.00 51.23 N ATOM 178 CA ASN A 13 11.220 15.937 -10.489 1.00 40.42 C ATOM 179 C ASN A 13 10.686 16.969 -11.479 1.00 30.35 C ATOM 180 O ASN A 13 11.450 17.735 -12.067 1.00 63.53 O ATOM 181 CB ASN A 13 11.979 14.841 -11.239 1.00 21.44 C ATOM 182 CG ASN A 13 13.285 15.340 -11.827 1.00 74.32 C ATOM 183 OD1 ASN A 13 14.249 15.588 -11.104 1.00 45.21 O ATOM 184 ND2 ASN A 13 13.320 15.489 -13.146 1.00 70.02 N ATOM 0 H ASN A 13 9.944 14.376 -9.911 1.00 51.23 H new ATOM 0 HA ASN A 13 11.902 16.437 -9.802 1.00 40.42 H new ATOM 0 HB2 ASN A 13 12.183 14.014 -10.559 1.00 21.44 H new ATOM 0 HB3 ASN A 13 11.350 14.449 -12.038 1.00 21.44 H new ATOM 0 HD21 ASN A 13 14.171 15.822 -13.599 1.00 70.02 H new ATOM 0 HD22 ASN A 13 12.496 15.271 -13.706 1.00 70.02 H new ATOM 191 N LEU A 14 9.370 16.983 -11.656 1.00 54.43 N ATOM 192 CA LEU A 14 8.732 17.921 -12.574 1.00 11.21 C ATOM 193 C LEU A 14 8.385 19.226 -11.865 1.00 10.32 C ATOM 194 O LEU A 14 8.290 20.280 -12.495 1.00 10.13 O ATOM 195 CB LEU A 14 7.468 17.301 -13.172 1.00 31.34 C ATOM 196 CG LEU A 14 6.940 17.953 -14.450 1.00 13.13 C ATOM 197 CD1 LEU A 14 6.403 16.898 -15.405 1.00 45.31 C ATOM 198 CD2 LEU A 14 5.861 18.975 -14.120 1.00 60.24 C ATOM 0 H LEU A 14 8.724 16.356 -11.177 1.00 54.43 H new ATOM 0 HA LEU A 14 9.436 18.141 -13.377 1.00 11.21 H new ATOM 0 HB2 LEU A 14 7.667 16.250 -13.380 1.00 31.34 H new ATOM 0 HB3 LEU A 14 6.680 17.334 -12.419 1.00 31.34 H new ATOM 0 HG LEU A 14 7.765 18.470 -14.939 1.00 13.13 H new ATOM 0 HD11 LEU A 14 6.032 17.381 -16.309 1.00 45.31 H new ATOM 0 HD12 LEU A 14 7.202 16.204 -15.666 1.00 45.31 H new ATOM 0 HD13 LEU A 14 5.591 16.352 -14.925 1.00 45.31 H new ATOM 0 HD21 LEU A 14 5.496 19.429 -15.041 1.00 60.24 H new ATOM 0 HD22 LEU A 14 5.036 18.480 -13.608 1.00 60.24 H new ATOM 0 HD23 LEU A 14 6.277 19.748 -13.474 1.00 60.24 H new ATOM 210 N ILE A 15 8.199 19.149 -10.551 1.00 62.34 N ATOM 211 CA ILE A 15 7.866 20.324 -9.757 1.00 4.43 C ATOM 212 C ILE A 15 9.107 21.163 -9.469 1.00 24.41 C ATOM 213 O ILE A 15 9.029 22.386 -9.355 1.00 3.23 O ATOM 214 CB ILE A 15 7.204 19.933 -8.422 1.00 63.04 C ATOM 215 CG1 ILE A 15 5.751 19.513 -8.653 1.00 2.11 C ATOM 216 CG2 ILE A 15 7.277 21.089 -7.436 1.00 22.22 C ATOM 217 CD1 ILE A 15 5.455 18.096 -8.215 1.00 61.33 C ATOM 0 H ILE A 15 8.273 18.285 -10.015 1.00 62.34 H new ATOM 0 HA ILE A 15 7.161 20.912 -10.345 1.00 4.43 H new ATOM 0 HB ILE A 15 7.745 19.086 -7.999 1.00 63.04 H new ATOM 0 HG12 ILE A 15 5.094 20.196 -8.115 1.00 2.11 H new ATOM 0 HG13 ILE A 15 5.516 19.614 -9.713 1.00 2.11 H new ATOM 0 HG21 ILE A 15 6.805 20.797 -6.498 1.00 22.22 H new ATOM 0 HG22 ILE A 15 8.320 21.346 -7.253 1.00 22.22 H new ATOM 0 HG23 ILE A 15 6.758 21.953 -7.850 1.00 22.22 H new ATOM 0 HD11 ILE A 15 4.407 17.867 -8.408 1.00 61.33 H new ATOM 0 HD12 ILE A 15 6.087 17.404 -8.772 1.00 61.33 H new ATOM 0 HD13 ILE A 15 5.658 17.995 -7.149 1.00 61.33 H new ATOM 229 N ILE A 16 10.251 20.496 -9.355 1.00 2.25 N ATOM 230 CA ILE A 16 11.509 21.180 -9.083 1.00 44.33 C ATOM 231 C ILE A 16 11.738 22.322 -10.068 1.00 53.10 C ATOM 232 O ILE A 16 11.902 23.481 -9.686 1.00 25.21 O ATOM 233 CB ILE A 16 12.704 20.211 -9.153 1.00 71.41 C ATOM 234 CG1 ILE A 16 12.955 19.577 -7.783 1.00 73.54 C ATOM 235 CG2 ILE A 16 13.948 20.937 -9.642 1.00 71.04 C ATOM 236 CD1 ILE A 16 13.713 18.269 -7.852 1.00 53.34 C ATOM 0 H ILE A 16 10.332 19.483 -9.447 1.00 2.25 H new ATOM 0 HA ILE A 16 11.437 21.583 -8.073 1.00 44.33 H new ATOM 0 HB ILE A 16 12.468 19.418 -9.863 1.00 71.41 H new ATOM 0 HG12 ILE A 16 13.513 20.279 -7.164 1.00 73.54 H new ATOM 0 HG13 ILE A 16 11.998 19.408 -7.289 1.00 73.54 H new ATOM 0 HG21 ILE A 16 14.783 20.238 -9.686 1.00 71.04 H new ATOM 0 HG22 ILE A 16 13.764 21.345 -10.636 1.00 71.04 H new ATOM 0 HG23 ILE A 16 14.189 21.748 -8.955 1.00 71.04 H new ATOM 0 HD11 ILE A 16 13.855 17.877 -6.845 1.00 53.34 H new ATOM 0 HD12 ILE A 16 13.146 17.551 -8.444 1.00 53.34 H new ATOM 0 HD13 ILE A 16 14.685 18.436 -8.317 1.00 53.34 H new ATOM 248 N PRO A 17 11.746 21.990 -11.367 1.00 63.15 N ATOM 249 CA PRO A 17 11.951 22.974 -12.435 1.00 20.33 C ATOM 250 C PRO A 17 10.766 23.922 -12.584 1.00 62.22 C ATOM 251 O PRO A 17 10.940 25.107 -12.873 1.00 34.52 O ATOM 252 CB PRO A 17 12.106 22.110 -13.689 1.00 20.33 C ATOM 253 CG PRO A 17 11.379 20.848 -13.372 1.00 2.41 C ATOM 254 CD PRO A 17 11.556 20.628 -11.895 1.00 43.20 C ATOM 0 HA PRO A 17 12.807 23.618 -12.237 1.00 20.33 H new ATOM 0 HB2 PRO A 17 11.681 22.602 -14.564 1.00 20.33 H new ATOM 0 HB3 PRO A 17 13.156 21.917 -13.910 1.00 20.33 H new ATOM 0 HG2 PRO A 17 10.323 20.930 -13.631 1.00 2.41 H new ATOM 0 HG3 PRO A 17 11.783 20.011 -13.942 1.00 2.41 H new ATOM 0 HD2 PRO A 17 10.685 20.144 -11.454 1.00 43.20 H new ATOM 0 HD3 PRO A 17 12.415 19.992 -11.684 1.00 43.20 H new ATOM 262 N CYS A 18 9.564 23.394 -12.386 1.00 35.11 N ATOM 263 CA CYS A 18 8.349 24.194 -12.499 1.00 61.02 C ATOM 264 C CYS A 18 8.447 25.454 -11.645 1.00 54.03 C ATOM 265 O CYS A 18 8.319 26.570 -12.150 1.00 30.25 O ATOM 266 CB CYS A 18 7.130 23.371 -12.079 1.00 4.34 C ATOM 267 SG CYS A 18 5.697 24.366 -11.603 1.00 60.51 S ATOM 0 H CYS A 18 9.404 22.416 -12.146 1.00 35.11 H new ATOM 0 HA CYS A 18 8.235 24.491 -13.541 1.00 61.02 H new ATOM 0 HB2 CYS A 18 6.846 22.715 -12.902 1.00 4.34 H new ATOM 0 HB3 CYS A 18 7.408 22.730 -11.242 1.00 4.34 H new ATOM 0 HG CYS A 18 4.717 23.582 -11.266 1.00 60.51 H new ATOM 273 N VAL A 19 8.672 25.268 -10.349 1.00 21.14 N ATOM 274 CA VAL A 19 8.786 26.389 -9.424 1.00 10.32 C ATOM 275 C VAL A 19 9.977 27.274 -9.776 1.00 73.33 C ATOM 276 O VAL A 19 9.937 28.491 -9.589 1.00 24.51 O ATOM 277 CB VAL A 19 8.933 25.905 -7.969 1.00 65.52 C ATOM 278 CG1 VAL A 19 8.873 27.080 -7.006 1.00 4.02 C ATOM 279 CG2 VAL A 19 7.860 24.878 -7.639 1.00 3.33 C ATOM 0 H VAL A 19 8.779 24.351 -9.915 1.00 21.14 H new ATOM 0 HA VAL A 19 7.867 26.968 -9.515 1.00 10.32 H new ATOM 0 HB VAL A 19 9.907 25.427 -7.860 1.00 65.52 H new ATOM 0 HG11 VAL A 19 8.979 26.718 -5.983 1.00 4.02 H new ATOM 0 HG12 VAL A 19 9.682 27.776 -7.230 1.00 4.02 H new ATOM 0 HG13 VAL A 19 7.916 27.590 -7.113 1.00 4.02 H new ATOM 0 HG21 VAL A 19 7.979 24.547 -6.607 1.00 3.33 H new ATOM 0 HG22 VAL A 19 6.875 25.328 -7.765 1.00 3.33 H new ATOM 0 HG23 VAL A 19 7.957 24.023 -8.308 1.00 3.33 H new ATOM 289 N LEU A 20 11.035 26.655 -10.288 1.00 52.04 N ATOM 290 CA LEU A 20 12.239 27.386 -10.669 1.00 33.03 C ATOM 291 C LEU A 20 11.954 28.342 -11.823 1.00 32.50 C ATOM 292 O LEU A 20 12.356 29.505 -11.792 1.00 71.00 O ATOM 293 CB LEU A 20 13.349 26.410 -11.062 1.00 31.12 C ATOM 294 CG LEU A 20 14.104 25.751 -9.906 1.00 52.55 C ATOM 295 CD1 LEU A 20 15.018 24.651 -10.424 1.00 54.50 C ATOM 296 CD2 LEU A 20 14.902 26.789 -9.131 1.00 12.24 C ATOM 0 H LEU A 20 11.084 25.649 -10.449 1.00 52.04 H new ATOM 0 HA LEU A 20 12.566 27.971 -9.810 1.00 33.03 H new ATOM 0 HB2 LEU A 20 12.913 25.625 -11.679 1.00 31.12 H new ATOM 0 HB3 LEU A 20 14.069 26.941 -11.684 1.00 31.12 H new ATOM 0 HG LEU A 20 13.376 25.302 -9.230 1.00 52.55 H new ATOM 0 HD11 LEU A 20 15.547 24.194 -9.588 1.00 54.50 H new ATOM 0 HD12 LEU A 20 14.423 23.894 -10.935 1.00 54.50 H new ATOM 0 HD13 LEU A 20 15.740 25.076 -11.121 1.00 54.50 H new ATOM 0 HD21 LEU A 20 15.433 26.303 -8.312 1.00 12.24 H new ATOM 0 HD22 LEU A 20 15.621 27.267 -9.797 1.00 12.24 H new ATOM 0 HD23 LEU A 20 14.225 27.542 -8.728 1.00 12.24 H new ATOM 308 N ILE A 21 11.257 27.843 -12.838 1.00 55.23 N ATOM 309 CA ILE A 21 10.915 28.654 -14.001 1.00 21.23 C ATOM 310 C ILE A 21 10.228 29.950 -13.584 1.00 73.34 C ATOM 311 O ILE A 21 10.587 31.033 -14.047 1.00 54.13 O ATOM 312 CB ILE A 21 9.997 27.888 -14.971 1.00 70.32 C ATOM 313 CG1 ILE A 21 10.790 26.813 -15.717 1.00 45.14 C ATOM 314 CG2 ILE A 21 9.344 28.849 -15.953 1.00 0.20 C ATOM 315 CD1 ILE A 21 9.977 25.582 -16.048 1.00 71.51 C ATOM 0 H ILE A 21 10.918 26.882 -12.879 1.00 55.23 H new ATOM 0 HA ILE A 21 11.851 28.889 -14.509 1.00 21.23 H new ATOM 0 HB ILE A 21 9.212 27.399 -14.395 1.00 70.32 H new ATOM 0 HG12 ILE A 21 11.183 27.238 -16.641 1.00 45.14 H new ATOM 0 HG13 ILE A 21 11.648 26.520 -15.111 1.00 45.14 H new ATOM 0 HG21 ILE A 21 8.698 28.292 -16.632 1.00 0.20 H new ATOM 0 HG22 ILE A 21 8.750 29.581 -15.406 1.00 0.20 H new ATOM 0 HG23 ILE A 21 10.115 29.363 -16.526 1.00 0.20 H new ATOM 0 HD11 ILE A 21 10.604 24.863 -16.576 1.00 71.51 H new ATOM 0 HD12 ILE A 21 9.606 25.132 -15.127 1.00 71.51 H new ATOM 0 HD13 ILE A 21 9.134 25.862 -16.680 1.00 71.51 H new ATOM 327 N THR A 22 9.237 29.832 -12.705 1.00 42.03 N ATOM 328 CA THR A 22 8.499 30.994 -12.225 1.00 64.52 C ATOM 329 C THR A 22 9.444 32.058 -11.679 1.00 22.45 C ATOM 330 O THR A 22 9.357 33.228 -12.050 1.00 5.14 O ATOM 331 CB THR A 22 7.492 30.604 -11.127 1.00 1.53 C ATOM 332 OG1 THR A 22 6.505 29.714 -11.660 1.00 42.40 O ATOM 333 CG2 THR A 22 6.812 31.839 -10.554 1.00 43.01 C ATOM 0 H THR A 22 8.927 28.943 -12.311 1.00 42.03 H new ATOM 0 HA THR A 22 7.956 31.399 -13.079 1.00 64.52 H new ATOM 0 HB THR A 22 8.037 30.103 -10.327 1.00 1.53 H new ATOM 0 HG1 THR A 22 5.660 29.836 -11.178 1.00 42.40 H new ATOM 0 HG21 THR A 22 6.105 31.539 -9.780 1.00 43.01 H new ATOM 0 HG22 THR A 22 7.563 32.501 -10.123 1.00 43.01 H new ATOM 0 HG23 THR A 22 6.280 32.363 -11.348 1.00 43.01 H new ATOM 341 N SER A 23 10.347 31.644 -10.795 1.00 71.51 N ATOM 342 CA SER A 23 11.307 32.563 -10.195 1.00 34.32 C ATOM 343 C SER A 23 12.082 33.318 -11.270 1.00 71.54 C ATOM 344 O SER A 23 12.359 34.510 -11.131 1.00 62.43 O ATOM 345 CB SER A 23 12.277 31.801 -9.290 1.00 63.13 C ATOM 346 OG SER A 23 13.615 32.209 -9.520 1.00 31.32 O ATOM 0 H SER A 23 10.434 30.678 -10.479 1.00 71.51 H new ATOM 0 HA SER A 23 10.754 33.286 -9.596 1.00 34.32 H new ATOM 0 HB2 SER A 23 12.016 31.972 -8.246 1.00 63.13 H new ATOM 0 HB3 SER A 23 12.184 30.730 -9.471 1.00 63.13 H new ATOM 0 HG SER A 23 14.216 31.709 -8.929 1.00 31.32 H new ATOM 352 N LEU A 24 12.429 32.615 -12.343 1.00 41.10 N ATOM 353 CA LEU A 24 13.173 33.217 -13.444 1.00 52.32 C ATOM 354 C LEU A 24 12.451 34.450 -13.978 1.00 43.54 C ATOM 355 O LEU A 24 13.077 35.467 -14.278 1.00 22.13 O ATOM 356 CB LEU A 24 13.369 32.200 -14.569 1.00 64.04 C ATOM 357 CG LEU A 24 14.812 31.967 -15.019 1.00 62.10 C ATOM 358 CD1 LEU A 24 14.938 30.634 -15.740 1.00 72.04 C ATOM 359 CD2 LEU A 24 15.283 33.105 -15.912 1.00 40.33 C ATOM 0 H LEU A 24 12.207 31.628 -12.474 1.00 41.10 H new ATOM 0 HA LEU A 24 14.148 33.524 -13.066 1.00 52.32 H new ATOM 0 HB2 LEU A 24 12.952 31.246 -14.246 1.00 64.04 H new ATOM 0 HB3 LEU A 24 12.789 32.526 -15.432 1.00 64.04 H new ATOM 0 HG LEU A 24 15.448 31.939 -14.134 1.00 62.10 H new ATOM 0 HD11 LEU A 24 15.972 30.486 -16.053 1.00 72.04 H new ATOM 0 HD12 LEU A 24 14.643 29.828 -15.068 1.00 72.04 H new ATOM 0 HD13 LEU A 24 14.290 30.632 -16.616 1.00 72.04 H new ATOM 0 HD21 LEU A 24 16.312 32.922 -16.222 1.00 40.33 H new ATOM 0 HD22 LEU A 24 14.643 33.165 -16.793 1.00 40.33 H new ATOM 0 HD23 LEU A 24 15.232 34.044 -15.362 1.00 40.33 H new ATOM 371 N ALA A 25 11.131 34.354 -14.093 1.00 71.34 N ATOM 372 CA ALA A 25 10.324 35.462 -14.587 1.00 53.42 C ATOM 373 C ALA A 25 10.281 36.603 -13.576 1.00 41.33 C ATOM 374 O ALA A 25 10.105 37.765 -13.945 1.00 1.13 O ATOM 375 CB ALA A 25 8.915 34.987 -14.909 1.00 53.12 C ATOM 0 H ALA A 25 10.597 33.519 -13.850 1.00 71.34 H new ATOM 0 HA ALA A 25 10.787 35.837 -15.500 1.00 53.42 H new ATOM 0 HB1 ALA A 25 8.324 35.825 -15.277 1.00 53.12 H new ATOM 0 HB2 ALA A 25 8.958 34.211 -15.673 1.00 53.12 H new ATOM 0 HB3 ALA A 25 8.452 34.584 -14.008 1.00 53.12 H new ATOM 381 N ILE A 26 10.442 36.265 -12.302 1.00 23.53 N ATOM 382 CA ILE A 26 10.422 37.261 -11.238 1.00 45.34 C ATOM 383 C ILE A 26 11.767 37.973 -11.127 1.00 34.34 C ATOM 384 O ILE A 26 11.827 39.168 -10.836 1.00 54.31 O ATOM 385 CB ILE A 26 10.075 36.627 -9.879 1.00 4.15 C ATOM 386 CG1 ILE A 26 8.636 36.109 -9.885 1.00 72.35 C ATOM 387 CG2 ILE A 26 10.276 37.636 -8.757 1.00 75.32 C ATOM 388 CD1 ILE A 26 8.306 35.224 -8.703 1.00 43.43 C ATOM 0 H ILE A 26 10.588 35.308 -11.981 1.00 23.53 H new ATOM 0 HA ILE A 26 9.650 37.985 -11.498 1.00 45.34 H new ATOM 0 HB ILE A 26 10.744 35.783 -9.707 1.00 4.15 H new ATOM 0 HG12 ILE A 26 7.953 36.958 -9.894 1.00 72.35 H new ATOM 0 HG13 ILE A 26 8.463 35.551 -10.805 1.00 72.35 H new ATOM 0 HG21 ILE A 26 10.027 37.173 -7.802 1.00 75.32 H new ATOM 0 HG22 ILE A 26 11.316 37.961 -8.742 1.00 75.32 H new ATOM 0 HG23 ILE A 26 9.629 38.498 -8.922 1.00 75.32 H new ATOM 0 HD11 ILE A 26 7.270 34.894 -8.774 1.00 43.43 H new ATOM 0 HD12 ILE A 26 8.964 34.355 -8.704 1.00 43.43 H new ATOM 0 HD13 ILE A 26 8.446 35.784 -7.779 1.00 43.43 H new ATOM 400 N LEU A 27 12.843 37.231 -11.361 1.00 24.02 N ATOM 401 CA LEU A 27 14.189 37.791 -11.289 1.00 34.24 C ATOM 402 C LEU A 27 14.395 38.853 -12.364 1.00 31.21 C ATOM 403 O LEU A 27 15.066 39.860 -12.136 1.00 73.33 O ATOM 404 CB LEU A 27 15.232 36.683 -11.443 1.00 3.12 C ATOM 405 CG LEU A 27 16.372 36.688 -10.424 1.00 3.42 C ATOM 406 CD1 LEU A 27 16.714 35.269 -9.998 1.00 2.11 C ATOM 407 CD2 LEU A 27 17.598 37.385 -10.998 1.00 34.31 C ATOM 0 H LEU A 27 12.811 36.240 -11.602 1.00 24.02 H new ATOM 0 HA LEU A 27 14.309 38.261 -10.313 1.00 34.24 H new ATOM 0 HB2 LEU A 27 14.723 35.721 -11.384 1.00 3.12 H new ATOM 0 HB3 LEU A 27 15.664 36.754 -12.441 1.00 3.12 H new ATOM 0 HG LEU A 27 16.044 37.240 -9.543 1.00 3.42 H new ATOM 0 HD11 LEU A 27 17.527 35.293 -9.273 1.00 2.11 H new ATOM 0 HD12 LEU A 27 15.838 34.804 -9.546 1.00 2.11 H new ATOM 0 HD13 LEU A 27 17.022 34.692 -10.870 1.00 2.11 H new ATOM 0 HD21 LEU A 27 18.399 37.379 -10.259 1.00 34.31 H new ATOM 0 HD22 LEU A 27 17.928 36.861 -11.895 1.00 34.31 H new ATOM 0 HD23 LEU A 27 17.346 38.415 -11.251 1.00 34.31 H new ATOM 419 N VAL A 28 13.812 38.622 -13.536 1.00 12.01 N ATOM 420 CA VAL A 28 13.929 39.560 -14.646 1.00 13.21 C ATOM 421 C VAL A 28 13.132 40.832 -14.377 1.00 22.04 C ATOM 422 O VAL A 28 13.631 41.942 -14.566 1.00 20.42 O ATOM 423 CB VAL A 28 13.442 38.932 -15.965 1.00 53.23 C ATOM 424 CG1 VAL A 28 13.039 40.015 -16.955 1.00 71.53 C ATOM 425 CG2 VAL A 28 14.517 38.032 -16.555 1.00 52.00 C ATOM 0 H VAL A 28 13.254 37.793 -13.741 1.00 12.01 H new ATOM 0 HA VAL A 28 14.986 39.810 -14.739 1.00 13.21 H new ATOM 0 HB VAL A 28 12.564 38.321 -15.754 1.00 53.23 H new ATOM 0 HG11 VAL A 28 12.698 39.553 -17.881 1.00 71.53 H new ATOM 0 HG12 VAL A 28 12.234 40.615 -16.530 1.00 71.53 H new ATOM 0 HG13 VAL A 28 13.897 40.655 -17.164 1.00 71.53 H new ATOM 0 HG21 VAL A 28 14.156 37.597 -17.487 1.00 52.00 H new ATOM 0 HG22 VAL A 28 15.414 38.618 -16.752 1.00 52.00 H new ATOM 0 HG23 VAL A 28 14.752 37.235 -15.849 1.00 52.00 H new ATOM 435 N PHE A 29 11.891 40.663 -13.933 1.00 52.33 N ATOM 436 CA PHE A 29 11.024 41.798 -13.638 1.00 12.01 C ATOM 437 C PHE A 29 11.620 42.665 -12.533 1.00 45.44 C ATOM 438 O PHE A 29 11.310 43.852 -12.425 1.00 21.00 O ATOM 439 CB PHE A 29 9.634 41.311 -13.224 1.00 74.42 C ATOM 440 CG PHE A 29 8.570 41.593 -14.247 1.00 4.32 C ATOM 441 CD1 PHE A 29 7.935 42.824 -14.283 1.00 45.32 C ATOM 442 CD2 PHE A 29 8.206 40.628 -15.172 1.00 3.21 C ATOM 443 CE1 PHE A 29 6.956 43.086 -15.223 1.00 3.54 C ATOM 444 CE2 PHE A 29 7.228 40.885 -16.114 1.00 60.10 C ATOM 445 CZ PHE A 29 6.603 42.116 -16.140 1.00 10.11 C ATOM 0 H PHE A 29 11.463 39.752 -13.770 1.00 52.33 H new ATOM 0 HA PHE A 29 10.937 42.401 -14.542 1.00 12.01 H new ATOM 0 HB2 PHE A 29 9.674 40.237 -13.040 1.00 74.42 H new ATOM 0 HB3 PHE A 29 9.357 41.786 -12.283 1.00 74.42 H new ATOM 0 HD1 PHE A 29 8.208 43.587 -13.569 1.00 45.32 H new ATOM 0 HD2 PHE A 29 8.692 39.664 -15.157 1.00 3.21 H new ATOM 0 HE1 PHE A 29 6.467 44.049 -15.240 1.00 3.54 H new ATOM 0 HE2 PHE A 29 6.953 40.124 -16.829 1.00 60.10 H new ATOM 0 HZ PHE A 29 5.840 42.320 -16.876 1.00 10.11 H new ATOM 455 N TYR A 30 12.478 42.065 -11.716 1.00 32.41 N ATOM 456 CA TYR A 30 13.116 42.780 -10.618 1.00 1.25 C ATOM 457 C TYR A 30 14.362 43.518 -11.099 1.00 33.01 C ATOM 458 O TYR A 30 14.767 44.524 -10.514 1.00 61.44 O ATOM 459 CB TYR A 30 13.487 41.809 -9.495 1.00 72.15 C ATOM 460 CG TYR A 30 12.732 42.054 -8.209 1.00 34.33 C ATOM 461 CD1 TYR A 30 11.343 42.106 -8.194 1.00 61.25 C ATOM 462 CD2 TYR A 30 13.406 42.234 -7.007 1.00 61.25 C ATOM 463 CE1 TYR A 30 10.649 42.330 -7.021 1.00 74.24 C ATOM 464 CE2 TYR A 30 12.720 42.457 -5.829 1.00 71.25 C ATOM 465 CZ TYR A 30 11.341 42.504 -5.842 1.00 5.25 C ATOM 466 OH TYR A 30 10.654 42.728 -4.670 1.00 64.44 O ATOM 0 H TYR A 30 12.748 41.084 -11.794 1.00 32.41 H new ATOM 0 HA TYR A 30 12.406 43.513 -10.235 1.00 1.25 H new ATOM 0 HB2 TYR A 30 13.296 40.789 -9.830 1.00 72.15 H new ATOM 0 HB3 TYR A 30 14.556 41.885 -9.299 1.00 72.15 H new ATOM 0 HD1 TYR A 30 10.797 41.969 -9.116 1.00 61.25 H new ATOM 0 HD2 TYR A 30 14.485 42.199 -6.994 1.00 61.25 H new ATOM 0 HE1 TYR A 30 9.570 42.369 -7.028 1.00 74.24 H new ATOM 0 HE2 TYR A 30 13.260 42.594 -4.904 1.00 71.25 H new ATOM 0 HH TYR A 30 11.291 42.828 -3.932 1.00 64.44 H new ATOM 476 N LEU A 31 14.964 43.012 -12.169 1.00 25.31 N ATOM 477 CA LEU A 31 16.164 43.622 -12.732 1.00 22.34 C ATOM 478 C LEU A 31 15.901 44.141 -14.141 1.00 50.34 C ATOM 479 O LEU A 31 16.374 43.586 -15.133 1.00 24.42 O ATOM 480 CB LEU A 31 17.312 42.610 -12.755 1.00 13.44 C ATOM 481 CG LEU A 31 18.210 42.586 -11.517 1.00 41.55 C ATOM 482 CD1 LEU A 31 17.613 41.693 -10.441 1.00 61.14 C ATOM 483 CD2 LEU A 31 19.611 42.119 -11.885 1.00 10.24 C ATOM 0 H LEU A 31 14.641 42.181 -12.665 1.00 25.31 H new ATOM 0 HA LEU A 31 16.443 44.465 -12.100 1.00 22.34 H new ATOM 0 HB2 LEU A 31 16.890 41.615 -12.892 1.00 13.44 H new ATOM 0 HB3 LEU A 31 17.934 42.816 -13.626 1.00 13.44 H new ATOM 0 HG LEU A 31 18.278 43.599 -11.121 1.00 41.55 H new ATOM 0 HD11 LEU A 31 18.266 41.689 -9.568 1.00 61.14 H new ATOM 0 HD12 LEU A 31 16.631 42.072 -10.158 1.00 61.14 H new ATOM 0 HD13 LEU A 31 17.514 40.678 -10.825 1.00 61.14 H new ATOM 0 HD21 LEU A 31 20.237 42.108 -10.993 1.00 10.24 H new ATOM 0 HD22 LEU A 31 19.561 41.115 -12.306 1.00 10.24 H new ATOM 0 HD23 LEU A 31 20.040 42.800 -12.620 1.00 10.24 H new ATOM 495 N PRO A 32 15.129 45.234 -14.235 1.00 3.41 N ATOM 496 CA PRO A 32 14.788 45.855 -15.518 1.00 41.14 C ATOM 497 C PRO A 32 15.989 46.527 -16.175 1.00 2.02 C ATOM 498 O PRO A 32 16.167 47.741 -16.072 1.00 33.24 O ATOM 499 CB PRO A 32 13.733 46.898 -15.139 1.00 64.50 C ATOM 500 CG PRO A 32 14.015 47.220 -13.712 1.00 61.50 C ATOM 501 CD PRO A 32 14.531 45.949 -13.095 1.00 31.01 C ATOM 0 HA PRO A 32 14.440 45.121 -16.245 1.00 41.14 H new ATOM 0 HB2 PRO A 32 13.809 47.785 -15.768 1.00 64.50 H new ATOM 0 HB3 PRO A 32 12.724 46.505 -15.264 1.00 64.50 H new ATOM 0 HG2 PRO A 32 14.751 48.020 -13.630 1.00 61.50 H new ATOM 0 HG3 PRO A 32 13.114 47.563 -13.204 1.00 61.50 H new ATOM 0 HD2 PRO A 32 15.267 46.150 -12.316 1.00 31.01 H new ATOM 0 HD3 PRO A 32 13.729 45.372 -12.634 1.00 31.01 H new ATOM 509 N SER A 33 16.811 45.730 -16.850 1.00 43.33 N ATOM 510 CA SER A 33 17.998 46.248 -17.521 1.00 40.20 C ATOM 511 C SER A 33 17.988 45.882 -19.002 1.00 64.10 C ATOM 512 O SER A 33 17.835 44.715 -19.363 1.00 40.02 O ATOM 513 CB SER A 33 19.264 45.702 -16.857 1.00 52.43 C ATOM 514 OG SER A 33 19.140 44.317 -16.585 1.00 44.24 O ATOM 0 H SER A 33 16.677 44.723 -16.947 1.00 43.33 H new ATOM 0 HA SER A 33 17.990 47.334 -17.433 1.00 40.20 H new ATOM 0 HB2 SER A 33 20.122 45.873 -17.507 1.00 52.43 H new ATOM 0 HB3 SER A 33 19.454 46.242 -15.930 1.00 52.43 H new ATOM 0 HG SER A 33 18.685 43.876 -17.333 1.00 44.24 H new ATOM 520 N ASP A 34 18.153 46.887 -19.854 1.00 41.35 N ATOM 521 CA ASP A 34 18.165 46.673 -21.297 1.00 33.31 C ATOM 522 C ASP A 34 16.839 46.084 -21.769 1.00 51.13 C ATOM 523 O ASP A 34 15.913 45.900 -20.978 1.00 62.01 O ATOM 524 CB ASP A 34 19.317 45.745 -21.687 1.00 15.03 C ATOM 525 CG ASP A 34 19.976 46.156 -22.988 1.00 41.53 C ATOM 526 OD1 ASP A 34 19.348 45.979 -24.053 1.00 2.40 O ATOM 527 OD2 ASP A 34 21.121 46.655 -22.942 1.00 75.24 O ATOM 0 H ASP A 34 18.280 47.859 -19.571 1.00 41.35 H new ATOM 0 HA ASP A 34 18.307 47.639 -21.782 1.00 33.31 H new ATOM 0 HB2 ASP A 34 20.062 45.741 -20.891 1.00 15.03 H new ATOM 0 HB3 ASP A 34 18.943 44.725 -21.779 1.00 15.03 H new ATOM 532 N CYS A 35 16.755 45.792 -23.062 1.00 54.24 N ATOM 533 CA CYS A 35 15.541 45.226 -23.641 1.00 1.21 C ATOM 534 C CYS A 35 15.767 43.780 -24.070 1.00 14.01 C ATOM 535 O CYS A 35 14.834 42.979 -24.102 1.00 73.25 O ATOM 536 CB CYS A 35 15.085 46.061 -24.838 1.00 71.15 C ATOM 537 SG CYS A 35 15.053 47.842 -24.528 1.00 30.22 S ATOM 0 H CYS A 35 17.512 45.938 -23.729 1.00 54.24 H new ATOM 0 HA CYS A 35 14.762 45.242 -22.879 1.00 1.21 H new ATOM 0 HB2 CYS A 35 15.748 45.862 -25.680 1.00 71.15 H new ATOM 0 HB3 CYS A 35 14.087 45.737 -25.134 1.00 71.15 H new ATOM 0 HG CYS A 35 14.657 48.462 -25.600 1.00 30.22 H new ATOM 543 N GLY A 36 17.013 43.453 -24.400 1.00 55.41 N ATOM 544 CA GLY A 36 17.338 42.104 -24.825 1.00 10.34 C ATOM 545 C GLY A 36 17.042 41.072 -23.755 1.00 15.45 C ATOM 546 O GLY A 36 16.831 39.898 -24.057 1.00 43.54 O ATOM 0 H GLY A 36 17.803 44.098 -24.381 1.00 55.41 H new ATOM 0 HA2 GLY A 36 16.771 41.863 -25.724 1.00 10.34 H new ATOM 0 HA3 GLY A 36 18.394 42.055 -25.091 1.00 10.34 H new ATOM 550 N GLU A 37 17.026 41.511 -22.500 1.00 23.14 N ATOM 551 CA GLU A 37 16.756 40.615 -21.381 1.00 71.04 C ATOM 552 C GLU A 37 15.292 40.185 -21.371 1.00 31.43 C ATOM 553 O GLU A 37 14.970 39.044 -21.035 1.00 41.55 O ATOM 554 CB GLU A 37 17.108 41.295 -20.057 1.00 44.50 C ATOM 555 CG GLU A 37 16.926 40.398 -18.844 1.00 41.43 C ATOM 556 CD GLU A 37 17.541 39.026 -19.036 1.00 62.23 C ATOM 557 OE1 GLU A 37 18.786 38.933 -19.067 1.00 44.42 O ATOM 558 OE2 GLU A 37 16.778 38.045 -19.156 1.00 23.41 O ATOM 0 H GLU A 37 17.197 42.480 -22.233 1.00 23.14 H new ATOM 0 HA GLU A 37 17.377 39.728 -21.501 1.00 71.04 H new ATOM 0 HB2 GLU A 37 18.144 41.633 -20.096 1.00 44.50 H new ATOM 0 HB3 GLU A 37 16.487 42.183 -19.938 1.00 44.50 H new ATOM 0 HG2 GLU A 37 17.376 40.875 -17.973 1.00 41.43 H new ATOM 0 HG3 GLU A 37 15.862 40.289 -18.634 1.00 41.43 H new ATOM 565 N LYS A 38 14.408 41.106 -21.740 1.00 30.44 N ATOM 566 CA LYS A 38 12.978 40.824 -21.774 1.00 72.20 C ATOM 567 C LYS A 38 12.620 39.971 -22.987 1.00 64.30 C ATOM 568 O LYS A 38 11.748 39.106 -22.914 1.00 12.12 O ATOM 569 CB LYS A 38 12.180 42.130 -21.803 1.00 23.43 C ATOM 570 CG LYS A 38 12.255 42.917 -20.506 1.00 20.52 C ATOM 571 CD LYS A 38 11.507 42.216 -19.384 1.00 73.43 C ATOM 572 CE LYS A 38 10.013 42.155 -19.664 1.00 12.33 C ATOM 573 NZ LYS A 38 9.228 41.880 -18.428 1.00 42.03 N ATOM 0 H LYS A 38 14.657 42.055 -22.020 1.00 30.44 H new ATOM 0 HA LYS A 38 12.722 40.268 -20.872 1.00 72.20 H new ATOM 0 HB2 LYS A 38 12.548 42.753 -22.618 1.00 23.43 H new ATOM 0 HB3 LYS A 38 11.136 41.904 -22.021 1.00 23.43 H new ATOM 0 HG2 LYS A 38 13.298 43.051 -20.221 1.00 20.52 H new ATOM 0 HG3 LYS A 38 11.836 43.912 -20.658 1.00 20.52 H new ATOM 0 HD2 LYS A 38 11.897 41.206 -19.261 1.00 73.43 H new ATOM 0 HD3 LYS A 38 11.681 42.741 -18.445 1.00 73.43 H new ATOM 0 HE2 LYS A 38 9.686 43.099 -20.099 1.00 12.33 H new ATOM 0 HE3 LYS A 38 9.813 41.378 -20.402 1.00 12.33 H new ATOM 0 HZ1 LYS A 38 8.215 41.846 -18.661 1.00 42.03 H new ATOM 0 HZ2 LYS A 38 9.522 40.967 -18.026 1.00 42.03 H new ATOM 0 HZ3 LYS A 38 9.399 42.635 -17.733 1.00 42.03 H new ATOM 587 N MET A 39 13.301 40.219 -24.101 1.00 4.31 N ATOM 588 CA MET A 39 13.057 39.471 -25.329 1.00 13.53 C ATOM 589 C MET A 39 13.522 38.026 -25.187 1.00 21.24 C ATOM 590 O MET A 39 12.821 37.095 -25.584 1.00 32.41 O ATOM 591 CB MET A 39 13.771 40.136 -26.507 1.00 2.10 C ATOM 592 CG MET A 39 12.935 41.196 -27.206 1.00 33.25 C ATOM 593 SD MET A 39 12.837 40.940 -28.988 1.00 4.42 S ATOM 594 CE MET A 39 12.694 42.630 -29.565 1.00 11.14 C ATOM 0 H MET A 39 14.026 40.932 -24.179 1.00 4.31 H new ATOM 0 HA MET A 39 11.983 39.471 -25.518 1.00 13.53 H new ATOM 0 HB2 MET A 39 14.695 40.591 -26.151 1.00 2.10 H new ATOM 0 HB3 MET A 39 14.051 39.370 -27.231 1.00 2.10 H new ATOM 0 HG2 MET A 39 11.929 41.194 -26.787 1.00 33.25 H new ATOM 0 HG3 MET A 39 13.362 42.179 -27.007 1.00 33.25 H new ATOM 0 HE1 MET A 39 12.624 42.638 -30.653 1.00 11.14 H new ATOM 0 HE2 MET A 39 11.799 43.085 -29.140 1.00 11.14 H new ATOM 0 HE3 MET A 39 13.572 43.196 -29.254 1.00 11.14 H new ATOM 604 N THR A 40 14.710 37.844 -24.618 1.00 11.22 N ATOM 605 CA THR A 40 15.269 36.512 -24.425 1.00 4.32 C ATOM 606 C THR A 40 14.531 35.760 -23.324 1.00 32.11 C ATOM 607 O THR A 40 14.513 34.528 -23.303 1.00 42.45 O ATOM 608 CB THR A 40 16.767 36.578 -24.070 1.00 71.04 C ATOM 609 OG1 THR A 40 17.367 35.288 -24.236 1.00 54.32 O ATOM 610 CG2 THR A 40 16.964 37.054 -22.639 1.00 51.21 C ATOM 0 H THR A 40 15.303 38.603 -24.283 1.00 11.22 H new ATOM 0 HA THR A 40 15.149 35.979 -25.368 1.00 4.32 H new ATOM 0 HB THR A 40 17.246 37.290 -24.742 1.00 71.04 H new ATOM 0 HG1 THR A 40 18.319 35.339 -24.010 1.00 54.32 H new ATOM 0 HG21 THR A 40 18.029 37.092 -22.412 1.00 51.21 H new ATOM 0 HG22 THR A 40 16.532 38.048 -22.524 1.00 51.21 H new ATOM 0 HG23 THR A 40 16.472 36.363 -21.955 1.00 51.21 H new ATOM 618 N LEU A 41 13.921 36.507 -22.410 1.00 21.30 N ATOM 619 CA LEU A 41 13.179 35.910 -21.305 1.00 21.40 C ATOM 620 C LEU A 41 11.968 35.136 -21.817 1.00 64.12 C ATOM 621 O LEU A 41 11.866 33.924 -21.622 1.00 51.13 O ATOM 622 CB LEU A 41 12.728 36.993 -20.323 1.00 64.52 C ATOM 623 CG LEU A 41 11.863 36.521 -19.154 1.00 72.33 C ATOM 624 CD1 LEU A 41 10.392 36.536 -19.539 1.00 54.23 C ATOM 625 CD2 LEU A 41 12.284 35.129 -18.706 1.00 61.24 C ATOM 0 H LEU A 41 13.926 37.527 -22.412 1.00 21.30 H new ATOM 0 HA LEU A 41 13.841 35.214 -20.790 1.00 21.40 H new ATOM 0 HB2 LEU A 41 13.615 37.481 -19.919 1.00 64.52 H new ATOM 0 HB3 LEU A 41 12.173 37.750 -20.877 1.00 64.52 H new ATOM 0 HG LEU A 41 12.007 37.208 -18.320 1.00 72.33 H new ATOM 0 HD11 LEU A 41 9.791 36.197 -18.695 1.00 54.23 H new ATOM 0 HD12 LEU A 41 10.097 37.550 -19.810 1.00 54.23 H new ATOM 0 HD13 LEU A 41 10.231 35.872 -20.388 1.00 54.23 H new ATOM 0 HD21 LEU A 41 11.657 34.810 -17.873 1.00 61.24 H new ATOM 0 HD22 LEU A 41 12.170 34.430 -19.535 1.00 61.24 H new ATOM 0 HD23 LEU A 41 13.327 35.149 -18.389 1.00 61.24 H new ATOM 637 N CYS A 42 11.056 35.843 -22.474 1.00 33.00 N ATOM 638 CA CYS A 42 9.852 35.222 -23.016 1.00 42.31 C ATOM 639 C CYS A 42 10.206 34.030 -23.898 1.00 71.54 C ATOM 640 O CYS A 42 9.628 32.951 -23.762 1.00 35.01 O ATOM 641 CB CYS A 42 9.044 36.243 -23.818 1.00 14.21 C ATOM 642 SG CYS A 42 8.021 35.517 -25.120 1.00 20.40 S ATOM 0 H CYS A 42 11.127 36.846 -22.645 1.00 33.00 H new ATOM 0 HA CYS A 42 9.248 34.867 -22.181 1.00 42.31 H new ATOM 0 HB2 CYS A 42 8.403 36.800 -23.135 1.00 14.21 H new ATOM 0 HB3 CYS A 42 9.730 36.961 -24.268 1.00 14.21 H new ATOM 0 HG CYS A 42 7.375 36.459 -25.740 1.00 20.40 H new ATOM 648 N ILE A 43 11.157 34.231 -24.804 1.00 3.43 N ATOM 649 CA ILE A 43 11.587 33.173 -25.709 1.00 20.33 C ATOM 650 C ILE A 43 12.133 31.977 -24.936 1.00 35.32 C ATOM 651 O ILE A 43 11.948 30.828 -25.338 1.00 44.13 O ATOM 652 CB ILE A 43 12.666 33.672 -26.688 1.00 12.43 C ATOM 653 CG1 ILE A 43 12.087 34.742 -27.616 1.00 1.43 C ATOM 654 CG2 ILE A 43 13.228 32.511 -27.494 1.00 54.35 C ATOM 655 CD1 ILE A 43 13.139 35.630 -28.244 1.00 75.35 C ATOM 0 H ILE A 43 11.645 35.118 -24.931 1.00 3.43 H new ATOM 0 HA ILE A 43 10.708 32.867 -26.276 1.00 20.33 H new ATOM 0 HB ILE A 43 13.479 34.117 -26.114 1.00 12.43 H new ATOM 0 HG12 ILE A 43 11.515 34.255 -28.406 1.00 1.43 H new ATOM 0 HG13 ILE A 43 11.389 35.361 -27.052 1.00 1.43 H new ATOM 0 HG21 ILE A 43 13.989 32.880 -28.181 1.00 54.35 H new ATOM 0 HG22 ILE A 43 13.673 31.780 -26.818 1.00 54.35 H new ATOM 0 HG23 ILE A 43 12.425 32.039 -28.061 1.00 54.35 H new ATOM 0 HD11 ILE A 43 12.657 36.365 -28.889 1.00 75.35 H new ATOM 0 HD12 ILE A 43 13.696 36.144 -27.461 1.00 75.35 H new ATOM 0 HD13 ILE A 43 13.823 35.021 -28.835 1.00 75.35 H new ATOM 667 N SER A 44 12.803 32.255 -23.823 1.00 24.55 N ATOM 668 CA SER A 44 13.378 31.202 -22.993 1.00 71.43 C ATOM 669 C SER A 44 12.282 30.380 -22.322 1.00 14.25 C ATOM 670 O SER A 44 12.213 29.162 -22.487 1.00 11.24 O ATOM 671 CB SER A 44 14.301 31.805 -21.933 1.00 21.21 C ATOM 672 OG SER A 44 15.575 32.105 -22.477 1.00 31.53 O ATOM 0 H SER A 44 12.961 33.200 -23.474 1.00 24.55 H new ATOM 0 HA SER A 44 13.960 30.543 -23.637 1.00 71.43 H new ATOM 0 HB2 SER A 44 13.852 32.712 -21.529 1.00 21.21 H new ATOM 0 HB3 SER A 44 14.412 31.107 -21.103 1.00 21.21 H new ATOM 0 HG SER A 44 15.547 32.984 -22.910 1.00 31.53 H new ATOM 678 N VAL A 45 11.425 31.056 -21.563 1.00 1.55 N ATOM 679 CA VAL A 45 10.331 30.391 -20.866 1.00 13.21 C ATOM 680 C VAL A 45 9.500 29.547 -21.826 1.00 44.13 C ATOM 681 O VAL A 45 8.988 28.489 -21.457 1.00 2.50 O ATOM 682 CB VAL A 45 9.410 31.409 -20.166 1.00 72.44 C ATOM 683 CG1 VAL A 45 8.025 30.816 -19.952 1.00 3.44 C ATOM 684 CG2 VAL A 45 10.018 31.857 -18.846 1.00 33.11 C ATOM 0 H VAL A 45 11.468 32.064 -21.415 1.00 1.55 H new ATOM 0 HA VAL A 45 10.782 29.743 -20.114 1.00 13.21 H new ATOM 0 HB VAL A 45 9.309 32.284 -20.808 1.00 72.44 H new ATOM 0 HG11 VAL A 45 7.388 31.549 -19.457 1.00 3.44 H new ATOM 0 HG12 VAL A 45 7.590 30.550 -20.915 1.00 3.44 H new ATOM 0 HG13 VAL A 45 8.103 29.924 -19.330 1.00 3.44 H new ATOM 0 HG21 VAL A 45 9.354 32.576 -18.365 1.00 33.11 H new ATOM 0 HG22 VAL A 45 10.150 30.993 -18.195 1.00 33.11 H new ATOM 0 HG23 VAL A 45 10.986 32.324 -19.031 1.00 33.11 H new ATOM 694 N LEU A 46 9.371 30.020 -23.061 1.00 1.53 N ATOM 695 CA LEU A 46 8.603 29.309 -24.076 1.00 72.14 C ATOM 696 C LEU A 46 9.257 27.974 -24.418 1.00 34.22 C ATOM 697 O LEU A 46 8.580 26.952 -24.539 1.00 73.22 O ATOM 698 CB LEU A 46 8.474 30.164 -25.338 1.00 74.13 C ATOM 699 CG LEU A 46 7.298 29.830 -26.258 1.00 4.02 C ATOM 700 CD1 LEU A 46 6.011 30.434 -25.719 1.00 52.02 C ATOM 701 CD2 LEU A 46 7.570 30.323 -27.671 1.00 44.25 C ATOM 0 H LEU A 46 9.789 30.893 -23.383 1.00 1.53 H new ATOM 0 HA LEU A 46 7.609 29.113 -23.673 1.00 72.14 H new ATOM 0 HB2 LEU A 46 8.389 31.208 -25.038 1.00 74.13 H new ATOM 0 HB3 LEU A 46 9.396 30.071 -25.912 1.00 74.13 H new ATOM 0 HG LEU A 46 7.182 28.747 -26.289 1.00 4.02 H new ATOM 0 HD11 LEU A 46 5.185 30.186 -26.386 1.00 52.02 H new ATOM 0 HD12 LEU A 46 5.808 30.032 -24.726 1.00 52.02 H new ATOM 0 HD13 LEU A 46 6.115 31.517 -25.658 1.00 52.02 H new ATOM 0 HD21 LEU A 46 6.723 30.077 -28.312 1.00 44.25 H new ATOM 0 HD22 LEU A 46 7.713 31.403 -27.658 1.00 44.25 H new ATOM 0 HD23 LEU A 46 8.469 29.842 -28.057 1.00 44.25 H new ATOM 713 N LEU A 47 10.576 27.989 -24.569 1.00 62.15 N ATOM 714 CA LEU A 47 11.323 26.779 -24.895 1.00 31.44 C ATOM 715 C LEU A 47 11.146 25.721 -23.809 1.00 53.44 C ATOM 716 O LEU A 47 11.014 24.533 -24.102 1.00 51.41 O ATOM 717 CB LEU A 47 12.808 27.103 -25.069 1.00 14.11 C ATOM 718 CG LEU A 47 13.408 26.782 -26.438 1.00 5.51 C ATOM 719 CD1 LEU A 47 13.258 27.968 -27.378 1.00 13.41 C ATOM 720 CD2 LEU A 47 14.873 26.392 -26.300 1.00 12.05 C ATOM 0 H LEU A 47 11.151 28.826 -24.471 1.00 62.15 H new ATOM 0 HA LEU A 47 10.932 26.382 -25.832 1.00 31.44 H new ATOM 0 HB2 LEU A 47 12.954 28.165 -24.871 1.00 14.11 H new ATOM 0 HB3 LEU A 47 13.370 26.557 -24.311 1.00 14.11 H new ATOM 0 HG LEU A 47 12.865 25.937 -26.862 1.00 5.51 H new ATOM 0 HD11 LEU A 47 13.691 27.721 -28.347 1.00 13.41 H new ATOM 0 HD12 LEU A 47 12.201 28.203 -27.502 1.00 13.41 H new ATOM 0 HD13 LEU A 47 13.775 28.832 -26.959 1.00 13.41 H new ATOM 0 HD21 LEU A 47 15.284 26.167 -27.284 1.00 12.05 H new ATOM 0 HD22 LEU A 47 15.429 27.217 -25.855 1.00 12.05 H new ATOM 0 HD23 LEU A 47 14.957 25.512 -25.662 1.00 12.05 H new ATOM 732 N ALA A 48 11.141 26.163 -22.556 1.00 25.42 N ATOM 733 CA ALA A 48 10.976 25.255 -21.427 1.00 50.22 C ATOM 734 C ALA A 48 9.671 24.474 -21.538 1.00 20.03 C ATOM 735 O ALA A 48 9.641 23.262 -21.319 1.00 54.12 O ATOM 736 CB ALA A 48 11.021 26.028 -20.117 1.00 42.24 C ATOM 0 H ALA A 48 11.249 27.144 -22.297 1.00 25.42 H new ATOM 0 HA ALA A 48 11.799 24.541 -21.443 1.00 50.22 H new ATOM 0 HB1 ALA A 48 10.897 25.338 -19.283 1.00 42.24 H new ATOM 0 HB2 ALA A 48 11.981 26.536 -20.027 1.00 42.24 H new ATOM 0 HB3 ALA A 48 10.218 26.765 -20.101 1.00 42.24 H new ATOM 742 N LEU A 49 8.595 25.174 -21.877 1.00 54.52 N ATOM 743 CA LEU A 49 7.285 24.546 -22.016 1.00 44.23 C ATOM 744 C LEU A 49 7.279 23.551 -23.172 1.00 21.30 C ATOM 745 O LEU A 49 6.889 22.394 -23.008 1.00 52.22 O ATOM 746 CB LEU A 49 6.208 25.610 -22.238 1.00 65.43 C ATOM 747 CG LEU A 49 4.765 25.107 -22.268 1.00 72.23 C ATOM 748 CD1 LEU A 49 4.460 24.283 -21.027 1.00 4.35 C ATOM 749 CD2 LEU A 49 3.796 26.274 -22.387 1.00 52.21 C ATOM 0 H LEU A 49 8.603 26.177 -22.061 1.00 54.52 H new ATOM 0 HA LEU A 49 7.068 24.006 -21.094 1.00 44.23 H new ATOM 0 HB2 LEU A 49 6.295 26.357 -21.449 1.00 65.43 H new ATOM 0 HB3 LEU A 49 6.415 26.117 -23.181 1.00 65.43 H new ATOM 0 HG LEU A 49 4.642 24.468 -23.142 1.00 72.23 H new ATOM 0 HD11 LEU A 49 3.428 23.934 -21.067 1.00 4.35 H new ATOM 0 HD12 LEU A 49 5.132 23.426 -20.985 1.00 4.35 H new ATOM 0 HD13 LEU A 49 4.601 24.898 -20.138 1.00 4.35 H new ATOM 0 HD21 LEU A 49 2.773 25.897 -22.407 1.00 52.21 H new ATOM 0 HD22 LEU A 49 3.921 26.939 -21.533 1.00 52.21 H new ATOM 0 HD23 LEU A 49 3.998 26.823 -23.307 1.00 52.21 H new ATOM 761 N THR A 50 7.716 24.007 -24.342 1.00 23.13 N ATOM 762 CA THR A 50 7.762 23.157 -25.525 1.00 22.13 C ATOM 763 C THR A 50 8.564 21.888 -25.259 1.00 71.12 C ATOM 764 O THR A 50 8.148 20.790 -25.629 1.00 31.20 O ATOM 765 CB THR A 50 8.379 23.898 -26.726 1.00 0.53 C ATOM 766 OG1 THR A 50 8.027 25.286 -26.678 1.00 63.31 O ATOM 767 CG2 THR A 50 7.903 23.294 -28.038 1.00 35.12 C ATOM 0 H THR A 50 8.043 24.961 -24.495 1.00 23.13 H new ATOM 0 HA THR A 50 6.732 22.890 -25.762 1.00 22.13 H new ATOM 0 HB THR A 50 9.463 23.796 -26.670 1.00 0.53 H new ATOM 0 HG1 THR A 50 8.424 25.751 -27.444 1.00 63.31 H new ATOM 0 HG21 THR A 50 8.352 23.834 -28.871 1.00 35.12 H new ATOM 0 HG22 THR A 50 8.198 22.246 -28.084 1.00 35.12 H new ATOM 0 HG23 THR A 50 6.817 23.369 -28.100 1.00 35.12 H new ATOM 775 N VAL A 51 9.716 22.045 -24.615 1.00 42.22 N ATOM 776 CA VAL A 51 10.576 20.911 -24.298 1.00 51.04 C ATOM 777 C VAL A 51 9.842 19.889 -23.437 1.00 4.32 C ATOM 778 O VAL A 51 9.965 18.682 -23.646 1.00 41.33 O ATOM 779 CB VAL A 51 11.853 21.362 -23.565 1.00 11.40 C ATOM 780 CG1 VAL A 51 12.480 20.196 -22.817 1.00 62.34 C ATOM 781 CG2 VAL A 51 12.843 21.972 -24.546 1.00 11.00 C ATOM 0 H VAL A 51 10.075 22.947 -24.302 1.00 42.22 H new ATOM 0 HA VAL A 51 10.855 20.450 -25.246 1.00 51.04 H new ATOM 0 HB VAL A 51 11.582 22.126 -22.836 1.00 11.40 H new ATOM 0 HG11 VAL A 51 13.381 20.534 -22.305 1.00 62.34 H new ATOM 0 HG12 VAL A 51 11.771 19.810 -22.085 1.00 62.34 H new ATOM 0 HG13 VAL A 51 12.738 19.407 -23.524 1.00 62.34 H new ATOM 0 HG21 VAL A 51 13.739 22.285 -24.011 1.00 11.00 H new ATOM 0 HG22 VAL A 51 13.111 21.232 -25.300 1.00 11.00 H new ATOM 0 HG23 VAL A 51 12.389 22.836 -25.031 1.00 11.00 H new ATOM 791 N PHE A 52 9.079 20.381 -22.467 1.00 33.13 N ATOM 792 CA PHE A 52 8.325 19.511 -21.572 1.00 32.50 C ATOM 793 C PHE A 52 7.335 18.653 -22.354 1.00 75.23 C ATOM 794 O PHE A 52 7.199 17.455 -22.103 1.00 65.50 O ATOM 795 CB PHE A 52 7.581 20.342 -20.525 1.00 33.32 C ATOM 796 CG PHE A 52 8.394 20.622 -19.293 1.00 71.14 C ATOM 797 CD1 PHE A 52 8.916 19.582 -18.540 1.00 53.54 C ATOM 798 CD2 PHE A 52 8.636 21.925 -18.889 1.00 20.33 C ATOM 799 CE1 PHE A 52 9.665 19.837 -17.407 1.00 32.31 C ATOM 800 CE2 PHE A 52 9.385 22.185 -17.756 1.00 53.15 C ATOM 801 CZ PHE A 52 9.899 21.140 -17.014 1.00 74.10 C ATOM 0 H PHE A 52 8.966 21.377 -22.280 1.00 33.13 H new ATOM 0 HA PHE A 52 9.031 18.851 -21.067 1.00 32.50 H new ATOM 0 HB2 PHE A 52 7.277 21.288 -20.973 1.00 33.32 H new ATOM 0 HB3 PHE A 52 6.669 19.818 -20.238 1.00 33.32 H new ATOM 0 HD1 PHE A 52 8.735 18.561 -18.842 1.00 53.54 H new ATOM 0 HD2 PHE A 52 8.236 22.746 -19.465 1.00 20.33 H new ATOM 0 HE1 PHE A 52 10.067 19.018 -16.829 1.00 32.31 H new ATOM 0 HE2 PHE A 52 9.568 23.205 -17.452 1.00 53.15 H new ATOM 0 HZ PHE A 52 10.483 21.341 -16.128 1.00 74.10 H new ATOM 811 N LEU A 53 6.644 19.275 -23.303 1.00 75.33 N ATOM 812 CA LEU A 53 5.664 18.570 -24.123 1.00 63.33 C ATOM 813 C LEU A 53 6.272 17.313 -24.737 1.00 63.42 C ATOM 814 O LEU A 53 5.792 16.202 -24.507 1.00 60.25 O ATOM 815 CB LEU A 53 5.139 19.488 -25.228 1.00 44.12 C ATOM 816 CG LEU A 53 3.935 18.970 -26.016 1.00 3.33 C ATOM 817 CD1 LEU A 53 3.139 20.129 -26.596 1.00 61.33 C ATOM 818 CD2 LEU A 53 4.386 18.025 -27.119 1.00 64.33 C ATOM 0 H LEU A 53 6.744 20.266 -23.524 1.00 75.33 H new ATOM 0 HA LEU A 53 4.835 18.274 -23.480 1.00 63.33 H new ATOM 0 HB2 LEU A 53 4.871 20.445 -24.781 1.00 44.12 H new ATOM 0 HB3 LEU A 53 5.951 19.681 -25.929 1.00 44.12 H new ATOM 0 HG LEU A 53 3.289 18.417 -25.334 1.00 3.33 H new ATOM 0 HD11 LEU A 53 2.286 19.742 -27.153 1.00 61.33 H new ATOM 0 HD12 LEU A 53 2.784 20.768 -25.787 1.00 61.33 H new ATOM 0 HD13 LEU A 53 3.776 20.709 -27.264 1.00 61.33 H new ATOM 0 HD21 LEU A 53 3.516 17.666 -27.669 1.00 64.33 H new ATOM 0 HD22 LEU A 53 5.054 18.553 -27.800 1.00 64.33 H new ATOM 0 HD23 LEU A 53 4.912 17.178 -26.680 1.00 64.33 H new ATOM 830 N LEU A 54 7.332 17.495 -25.517 1.00 22.41 N ATOM 831 CA LEU A 54 8.008 16.375 -26.163 1.00 23.33 C ATOM 832 C LEU A 54 8.383 15.304 -25.143 1.00 71.33 C ATOM 833 O LEU A 54 8.307 14.107 -25.427 1.00 44.53 O ATOM 834 CB LEU A 54 9.262 16.862 -26.892 1.00 32.14 C ATOM 835 CG LEU A 54 9.437 16.369 -28.329 1.00 14.53 C ATOM 836 CD1 LEU A 54 10.243 17.370 -29.141 1.00 41.35 C ATOM 837 CD2 LEU A 54 10.105 15.003 -28.347 1.00 24.35 C ATOM 0 H LEU A 54 7.742 18.407 -25.717 1.00 22.41 H new ATOM 0 HA LEU A 54 7.321 15.937 -26.887 1.00 23.33 H new ATOM 0 HB2 LEU A 54 9.252 17.952 -26.902 1.00 32.14 H new ATOM 0 HB3 LEU A 54 10.135 16.556 -26.315 1.00 32.14 H new ATOM 0 HG LEU A 54 8.451 16.274 -28.783 1.00 14.53 H new ATOM 0 HD11 LEU A 54 10.358 17.003 -30.161 1.00 41.35 H new ATOM 0 HD12 LEU A 54 9.724 18.328 -29.157 1.00 41.35 H new ATOM 0 HD13 LEU A 54 11.226 17.498 -28.689 1.00 41.35 H new ATOM 0 HD21 LEU A 54 10.221 14.668 -29.378 1.00 24.35 H new ATOM 0 HD22 LEU A 54 11.085 15.071 -27.875 1.00 24.35 H new ATOM 0 HD23 LEU A 54 9.488 14.289 -27.801 1.00 24.35 H new ATOM 849 N LEU A 55 8.785 15.740 -23.955 1.00 13.42 N ATOM 850 CA LEU A 55 9.169 14.819 -22.891 1.00 41.11 C ATOM 851 C LEU A 55 8.105 13.745 -22.690 1.00 62.35 C ATOM 852 O LEU A 55 8.347 12.564 -22.941 1.00 70.42 O ATOM 853 CB LEU A 55 9.392 15.582 -21.584 1.00 42.43 C ATOM 854 CG LEU A 55 10.728 15.336 -20.883 1.00 45.30 C ATOM 855 CD1 LEU A 55 10.867 16.239 -19.667 1.00 44.21 C ATOM 856 CD2 LEU A 55 10.859 13.874 -20.482 1.00 11.33 C ATOM 0 H LEU A 55 8.854 16.726 -23.704 1.00 13.42 H new ATOM 0 HA LEU A 55 10.099 14.333 -23.184 1.00 41.11 H new ATOM 0 HB2 LEU A 55 9.303 16.649 -21.790 1.00 42.43 H new ATOM 0 HB3 LEU A 55 8.589 15.323 -20.894 1.00 42.43 H new ATOM 0 HG LEU A 55 11.531 15.574 -21.580 1.00 45.30 H new ATOM 0 HD11 LEU A 55 11.824 16.050 -19.181 1.00 44.21 H new ATOM 0 HD12 LEU A 55 10.819 17.282 -19.981 1.00 44.21 H new ATOM 0 HD13 LEU A 55 10.057 16.033 -18.967 1.00 44.21 H new ATOM 0 HD21 LEU A 55 11.816 13.718 -19.984 1.00 11.33 H new ATOM 0 HD22 LEU A 55 10.049 13.609 -19.802 1.00 11.33 H new ATOM 0 HD23 LEU A 55 10.806 13.247 -21.372 1.00 11.33 H new ATOM 868 N ILE A 56 6.927 14.163 -22.239 1.00 64.43 N ATOM 869 CA ILE A 56 5.826 13.236 -22.009 1.00 12.42 C ATOM 870 C ILE A 56 5.247 12.732 -23.326 1.00 53.12 C ATOM 871 O ILE A 56 4.590 11.692 -23.370 1.00 21.22 O ATOM 872 CB ILE A 56 4.702 13.892 -21.185 1.00 0.04 C ATOM 873 CG1 ILE A 56 5.294 14.726 -20.047 1.00 24.14 C ATOM 874 CG2 ILE A 56 3.759 12.831 -20.636 1.00 45.21 C ATOM 875 CD1 ILE A 56 5.288 16.213 -20.321 1.00 13.53 C ATOM 0 H ILE A 56 6.711 15.137 -22.026 1.00 64.43 H new ATOM 0 HA ILE A 56 6.234 12.394 -21.449 1.00 12.42 H new ATOM 0 HB ILE A 56 4.133 14.554 -21.837 1.00 0.04 H new ATOM 0 HG12 ILE A 56 4.732 14.531 -19.134 1.00 24.14 H new ATOM 0 HG13 ILE A 56 6.319 14.402 -19.865 1.00 24.14 H new ATOM 0 HG21 ILE A 56 2.970 13.310 -20.056 1.00 45.21 H new ATOM 0 HG22 ILE A 56 3.315 12.276 -21.462 1.00 45.21 H new ATOM 0 HG23 ILE A 56 4.315 12.146 -19.996 1.00 45.21 H new ATOM 0 HD11 ILE A 56 5.722 16.741 -19.472 1.00 13.53 H new ATOM 0 HD12 ILE A 56 5.875 16.420 -21.216 1.00 13.53 H new ATOM 0 HD13 ILE A 56 4.263 16.551 -20.473 1.00 13.53 H new ATOM 1056 N SER A 69 -2.448 12.383 -17.079 1.00 72.33 N ATOM 1057 CA SER A 69 -2.112 13.354 -16.045 1.00 35.14 C ATOM 1058 C SER A 69 -1.367 14.545 -16.639 1.00 23.21 C ATOM 1059 O SER A 69 -1.507 15.676 -16.173 1.00 34.41 O ATOM 1060 CB SER A 69 -1.262 12.697 -14.956 1.00 12.05 C ATOM 1061 OG SER A 69 -0.067 12.160 -15.496 1.00 11.42 O ATOM 0 HA SER A 69 -3.041 13.713 -15.603 1.00 35.14 H new ATOM 0 HB2 SER A 69 -1.020 13.431 -14.187 1.00 12.05 H new ATOM 0 HB3 SER A 69 -1.834 11.905 -14.472 1.00 12.05 H new ATOM 0 HG SER A 69 -0.247 11.790 -16.385 1.00 11.42 H new ATOM 1067 N VAL A 70 -0.572 14.282 -17.672 1.00 12.03 N ATOM 1068 CA VAL A 70 0.196 15.331 -18.332 1.00 31.04 C ATOM 1069 C VAL A 70 -0.717 16.431 -18.860 1.00 55.30 C ATOM 1070 O VAL A 70 -0.338 17.601 -18.903 1.00 24.40 O ATOM 1071 CB VAL A 70 1.030 14.767 -19.498 1.00 14.05 C ATOM 1072 CG1 VAL A 70 0.125 14.130 -20.542 1.00 4.32 C ATOM 1073 CG2 VAL A 70 1.886 15.861 -20.117 1.00 60.25 C ATOM 0 H VAL A 70 -0.443 13.352 -18.070 1.00 12.03 H new ATOM 0 HA VAL A 70 0.869 15.750 -17.583 1.00 31.04 H new ATOM 0 HB VAL A 70 1.694 13.995 -19.109 1.00 14.05 H new ATOM 0 HG11 VAL A 70 0.731 13.737 -21.358 1.00 4.32 H new ATOM 0 HG12 VAL A 70 -0.440 13.317 -20.086 1.00 4.32 H new ATOM 0 HG13 VAL A 70 -0.565 14.879 -20.931 1.00 4.32 H new ATOM 0 HG21 VAL A 70 2.469 15.446 -20.939 1.00 60.25 H new ATOM 0 HG22 VAL A 70 1.243 16.657 -20.494 1.00 60.25 H new ATOM 0 HG23 VAL A 70 2.560 16.266 -19.363 1.00 60.25 H new ATOM 1083 N GLY A 71 -1.926 16.048 -19.262 1.00 2.15 N ATOM 1084 CA GLY A 71 -2.876 17.014 -19.782 1.00 3.14 C ATOM 1085 C GLY A 71 -3.365 17.976 -18.718 1.00 13.44 C ATOM 1086 O GLY A 71 -3.610 19.149 -18.998 1.00 41.24 O ATOM 0 H GLY A 71 -2.264 15.086 -19.237 1.00 2.15 H new ATOM 0 HA2 GLY A 71 -2.411 17.577 -20.591 1.00 3.14 H new ATOM 0 HA3 GLY A 71 -3.728 16.487 -20.210 1.00 3.14 H new ATOM 1090 N GLU A 72 -3.510 17.479 -17.493 1.00 41.13 N ATOM 1091 CA GLU A 72 -3.976 18.304 -16.385 1.00 33.43 C ATOM 1092 C GLU A 72 -3.108 19.549 -16.230 1.00 22.21 C ATOM 1093 O GLU A 72 -3.589 20.675 -16.362 1.00 64.41 O ATOM 1094 CB GLU A 72 -3.970 17.499 -15.083 1.00 63.14 C ATOM 1095 CG GLU A 72 -4.940 16.330 -15.086 1.00 31.32 C ATOM 1096 CD GLU A 72 -5.908 16.373 -13.919 1.00 70.53 C ATOM 1097 OE1 GLU A 72 -5.514 16.862 -12.840 1.00 22.31 O ATOM 1098 OE2 GLU A 72 -7.059 15.917 -14.085 1.00 43.03 O ATOM 0 H GLU A 72 -3.312 16.510 -17.244 1.00 41.13 H new ATOM 0 HA GLU A 72 -4.996 18.619 -16.605 1.00 33.43 H new ATOM 0 HB2 GLU A 72 -2.963 17.124 -14.902 1.00 63.14 H new ATOM 0 HB3 GLU A 72 -4.216 18.163 -14.254 1.00 63.14 H new ATOM 0 HG2 GLU A 72 -5.502 16.331 -16.020 1.00 31.32 H new ATOM 0 HG3 GLU A 72 -4.378 15.396 -15.053 1.00 31.32 H new ATOM 1105 N TYR A 73 -1.827 19.338 -15.949 1.00 1.04 N ATOM 1106 CA TYR A 73 -0.891 20.442 -15.773 1.00 13.45 C ATOM 1107 C TYR A 73 -0.818 21.301 -17.032 1.00 33.32 C ATOM 1108 O TYR A 73 -0.577 22.507 -16.963 1.00 35.34 O ATOM 1109 CB TYR A 73 0.499 19.909 -15.424 1.00 4.52 C ATOM 1110 CG TYR A 73 0.497 18.902 -14.296 1.00 73.15 C ATOM 1111 CD1 TYR A 73 -0.104 19.195 -13.078 1.00 45.30 C ATOM 1112 CD2 TYR A 73 1.095 17.657 -14.449 1.00 52.31 C ATOM 1113 CE1 TYR A 73 -0.108 18.278 -12.045 1.00 10.22 C ATOM 1114 CE2 TYR A 73 1.094 16.734 -13.422 1.00 32.51 C ATOM 1115 CZ TYR A 73 0.491 17.049 -12.222 1.00 25.32 C ATOM 1116 OH TYR A 73 0.490 16.132 -11.196 1.00 34.23 O ATOM 0 H TYR A 73 -1.413 18.412 -15.838 1.00 1.04 H new ATOM 0 HA TYR A 73 -1.251 21.063 -14.953 1.00 13.45 H new ATOM 0 HB2 TYR A 73 0.935 19.448 -16.310 1.00 4.52 H new ATOM 0 HB3 TYR A 73 1.142 20.746 -15.151 1.00 4.52 H new ATOM 0 HD1 TYR A 73 -0.576 20.156 -12.937 1.00 45.30 H new ATOM 0 HD2 TYR A 73 1.569 17.407 -15.387 1.00 52.31 H new ATOM 0 HE1 TYR A 73 -0.578 18.522 -11.104 1.00 10.22 H new ATOM 0 HE2 TYR A 73 1.563 15.771 -13.558 1.00 32.51 H new ATOM 0 HH TYR A 73 0.952 15.317 -11.485 1.00 34.23 H new ATOM 1126 N LEU A 74 -1.029 20.670 -18.182 1.00 44.41 N ATOM 1127 CA LEU A 74 -0.988 21.375 -19.459 1.00 30.21 C ATOM 1128 C LEU A 74 -2.056 22.463 -19.515 1.00 24.22 C ATOM 1129 O LEU A 74 -1.807 23.565 -20.003 1.00 35.02 O ATOM 1130 CB LEU A 74 -1.186 20.391 -20.613 1.00 64.32 C ATOM 1131 CG LEU A 74 -0.389 20.681 -21.886 1.00 75.51 C ATOM 1132 CD1 LEU A 74 -0.430 22.165 -22.215 1.00 21.23 C ATOM 1133 CD2 LEU A 74 1.048 20.205 -21.736 1.00 21.40 C ATOM 0 H LEU A 74 -1.230 19.673 -18.257 1.00 44.41 H new ATOM 0 HA LEU A 74 -0.010 21.846 -19.555 1.00 30.21 H new ATOM 0 HB2 LEU A 74 -0.922 19.393 -20.263 1.00 64.32 H new ATOM 0 HB3 LEU A 74 -2.245 20.370 -20.868 1.00 64.32 H new ATOM 0 HG LEU A 74 -0.847 20.135 -22.711 1.00 75.51 H new ATOM 0 HD11 LEU A 74 0.142 22.352 -23.124 1.00 21.23 H new ATOM 0 HD12 LEU A 74 -1.464 22.476 -22.367 1.00 21.23 H new ATOM 0 HD13 LEU A 74 0.002 22.732 -21.391 1.00 21.23 H new ATOM 0 HD21 LEU A 74 1.600 20.420 -22.651 1.00 21.40 H new ATOM 0 HD22 LEU A 74 1.517 20.723 -20.899 1.00 21.40 H new ATOM 0 HD23 LEU A 74 1.058 19.131 -21.550 1.00 21.40 H new ATOM 1145 N MET A 75 -3.243 22.146 -19.010 1.00 34.40 N ATOM 1146 CA MET A 75 -4.348 23.098 -19.000 1.00 21.24 C ATOM 1147 C MET A 75 -4.017 24.304 -18.126 1.00 55.25 C ATOM 1148 O MET A 75 -4.062 25.446 -18.585 1.00 72.22 O ATOM 1149 CB MET A 75 -5.626 22.424 -18.496 1.00 63.21 C ATOM 1150 CG MET A 75 -6.858 22.770 -19.315 1.00 75.54 C ATOM 1151 SD MET A 75 -7.269 24.524 -19.246 1.00 61.12 S ATOM 1152 CE MET A 75 -8.948 24.504 -19.870 1.00 21.34 C ATOM 0 H MET A 75 -3.465 21.238 -18.602 1.00 34.40 H new ATOM 0 HA MET A 75 -4.507 23.443 -20.022 1.00 21.24 H new ATOM 0 HB2 MET A 75 -5.485 21.343 -18.505 1.00 63.21 H new ATOM 0 HB3 MET A 75 -5.796 22.714 -17.459 1.00 63.21 H new ATOM 0 HG2 MET A 75 -6.693 22.480 -20.353 1.00 75.54 H new ATOM 0 HG3 MET A 75 -7.705 22.188 -18.953 1.00 75.54 H new ATOM 0 HE1 MET A 75 -9.342 25.520 -19.888 1.00 21.34 H new ATOM 0 HE2 MET A 75 -8.956 24.094 -20.880 1.00 21.34 H new ATOM 0 HE3 MET A 75 -9.569 23.885 -19.223 1.00 21.34 H new ATOM 1162 N PHE A 76 -3.686 24.044 -16.866 1.00 71.21 N ATOM 1163 CA PHE A 76 -3.349 25.109 -15.929 1.00 35.24 C ATOM 1164 C PHE A 76 -2.176 25.937 -16.445 1.00 33.15 C ATOM 1165 O PHE A 76 -2.127 27.152 -16.253 1.00 4.42 O ATOM 1166 CB PHE A 76 -3.010 24.521 -14.557 1.00 44.32 C ATOM 1167 CG PHE A 76 -3.653 25.254 -13.415 1.00 10.20 C ATOM 1168 CD1 PHE A 76 -4.990 25.054 -13.111 1.00 61.02 C ATOM 1169 CD2 PHE A 76 -2.921 26.144 -12.645 1.00 60.03 C ATOM 1170 CE1 PHE A 76 -5.585 25.727 -12.060 1.00 70.44 C ATOM 1171 CE2 PHE A 76 -3.510 26.819 -11.593 1.00 55.02 C ATOM 1172 CZ PHE A 76 -4.844 26.611 -11.301 1.00 54.02 C ATOM 0 H PHE A 76 -3.644 23.105 -16.470 1.00 71.21 H new ATOM 0 HA PHE A 76 -4.216 25.762 -15.832 1.00 35.24 H new ATOM 0 HB2 PHE A 76 -3.323 23.477 -14.531 1.00 44.32 H new ATOM 0 HB3 PHE A 76 -1.928 24.533 -14.423 1.00 44.32 H new ATOM 0 HD1 PHE A 76 -5.574 24.364 -13.702 1.00 61.02 H new ATOM 0 HD2 PHE A 76 -1.878 26.312 -12.870 1.00 60.03 H new ATOM 0 HE1 PHE A 76 -6.628 25.562 -11.833 1.00 70.44 H new ATOM 0 HE2 PHE A 76 -2.928 27.509 -11.000 1.00 55.02 H new ATOM 0 HZ PHE A 76 -5.307 27.139 -10.480 1.00 54.02 H new ATOM 1182 N THR A 77 -1.232 25.270 -17.101 1.00 22.34 N ATOM 1183 CA THR A 77 -0.058 25.942 -17.643 1.00 21.11 C ATOM 1184 C THR A 77 -0.422 26.792 -18.855 1.00 1.13 C ATOM 1185 O THR A 77 0.143 27.865 -19.064 1.00 63.00 O ATOM 1186 CB THR A 77 1.031 24.931 -18.048 1.00 23.21 C ATOM 1187 OG1 THR A 77 1.752 24.497 -16.889 1.00 71.41 O ATOM 1188 CG2 THR A 77 1.996 25.547 -19.050 1.00 20.02 C ATOM 0 H THR A 77 -1.258 24.264 -17.270 1.00 22.34 H new ATOM 0 HA THR A 77 0.330 26.586 -16.854 1.00 21.11 H new ATOM 0 HB THR A 77 0.545 24.075 -18.515 1.00 23.21 H new ATOM 0 HG1 THR A 77 1.296 23.727 -16.489 1.00 71.41 H new ATOM 0 HG21 THR A 77 2.756 24.814 -19.321 1.00 20.02 H new ATOM 0 HG22 THR A 77 1.449 25.850 -19.943 1.00 20.02 H new ATOM 0 HG23 THR A 77 2.475 26.419 -18.605 1.00 20.02 H new ATOM 1196 N MET A 78 -1.369 26.306 -19.650 1.00 35.03 N ATOM 1197 CA MET A 78 -1.810 27.024 -20.840 1.00 61.44 C ATOM 1198 C MET A 78 -2.358 28.399 -20.474 1.00 43.34 C ATOM 1199 O MET A 78 -1.881 29.420 -20.970 1.00 41.32 O ATOM 1200 CB MET A 78 -2.878 26.217 -21.582 1.00 42.30 C ATOM 1201 CG MET A 78 -2.304 25.165 -22.517 1.00 54.24 C ATOM 1202 SD MET A 78 -2.077 25.779 -24.197 1.00 44.33 S ATOM 1203 CE MET A 78 -0.511 25.021 -24.626 1.00 15.13 C ATOM 0 H MET A 78 -1.846 25.418 -19.492 1.00 35.03 H new ATOM 0 HA MET A 78 -0.948 27.159 -21.493 1.00 61.44 H new ATOM 0 HB2 MET A 78 -3.525 25.729 -20.853 1.00 42.30 H new ATOM 0 HB3 MET A 78 -3.504 26.900 -22.157 1.00 42.30 H new ATOM 0 HG2 MET A 78 -1.346 24.822 -22.127 1.00 54.24 H new ATOM 0 HG3 MET A 78 -2.968 24.301 -22.537 1.00 54.24 H new ATOM 0 HE1 MET A 78 -0.191 25.377 -25.605 1.00 15.13 H new ATOM 0 HE2 MET A 78 0.238 25.287 -23.880 1.00 15.13 H new ATOM 0 HE3 MET A 78 -0.627 23.938 -24.654 1.00 15.13 H new ATOM 1213 N VAL A 79 -3.362 28.419 -19.604 1.00 11.21 N ATOM 1214 CA VAL A 79 -3.974 29.670 -19.171 1.00 72.23 C ATOM 1215 C VAL A 79 -2.943 30.596 -18.537 1.00 44.14 C ATOM 1216 O VAL A 79 -3.052 31.820 -18.627 1.00 72.33 O ATOM 1217 CB VAL A 79 -5.111 29.419 -18.163 1.00 30.22 C ATOM 1218 CG1 VAL A 79 -6.262 28.681 -18.828 1.00 73.45 C ATOM 1219 CG2 VAL A 79 -4.594 28.644 -16.960 1.00 73.21 C ATOM 0 H VAL A 79 -3.769 27.583 -19.185 1.00 11.21 H new ATOM 0 HA VAL A 79 -4.386 30.145 -20.061 1.00 72.23 H new ATOM 0 HB VAL A 79 -5.483 30.382 -17.814 1.00 30.22 H new ATOM 0 HG11 VAL A 79 -7.056 28.513 -18.100 1.00 73.45 H new ATOM 0 HG12 VAL A 79 -6.648 29.278 -19.654 1.00 73.45 H new ATOM 0 HG13 VAL A 79 -5.909 27.722 -19.207 1.00 73.45 H new ATOM 0 HG21 VAL A 79 -5.410 28.475 -16.258 1.00 73.21 H new ATOM 0 HG22 VAL A 79 -4.195 27.685 -17.289 1.00 73.21 H new ATOM 0 HG23 VAL A 79 -3.806 29.216 -16.470 1.00 73.21 H new ATOM 1229 N LEU A 80 -1.940 30.005 -17.896 1.00 51.45 N ATOM 1230 CA LEU A 80 -0.887 30.778 -17.247 1.00 25.41 C ATOM 1231 C LEU A 80 0.024 31.433 -18.280 1.00 41.11 C ATOM 1232 O LEU A 80 0.346 32.617 -18.177 1.00 63.22 O ATOM 1233 CB LEU A 80 -0.064 29.878 -16.323 1.00 2.23 C ATOM 1234 CG LEU A 80 -0.205 30.147 -14.824 1.00 40.31 C ATOM 1235 CD1 LEU A 80 0.508 31.436 -14.444 1.00 34.12 C ATOM 1236 CD2 LEU A 80 -1.673 30.211 -14.430 1.00 13.32 C ATOM 0 H LEU A 80 -1.834 28.994 -17.812 1.00 51.45 H new ATOM 0 HA LEU A 80 -1.358 31.563 -16.656 1.00 25.41 H new ATOM 0 HB2 LEU A 80 -0.344 28.842 -16.514 1.00 2.23 H new ATOM 0 HB3 LEU A 80 0.987 29.979 -16.593 1.00 2.23 H new ATOM 0 HG LEU A 80 0.261 29.325 -14.281 1.00 40.31 H new ATOM 0 HD11 LEU A 80 0.397 31.611 -13.374 1.00 34.12 H new ATOM 0 HD12 LEU A 80 1.567 31.352 -14.690 1.00 34.12 H new ATOM 0 HD13 LEU A 80 0.072 32.269 -14.995 1.00 34.12 H new ATOM 0 HD21 LEU A 80 -1.755 30.403 -13.360 1.00 13.32 H new ATOM 0 HD22 LEU A 80 -2.163 31.014 -14.981 1.00 13.32 H new ATOM 0 HD23 LEU A 80 -2.155 29.262 -14.666 1.00 13.32 H new ATOM 1248 N VAL A 81 0.434 30.656 -19.278 1.00 4.14 N ATOM 1249 CA VAL A 81 1.305 31.162 -20.332 1.00 62.31 C ATOM 1250 C VAL A 81 0.690 32.376 -21.018 1.00 55.01 C ATOM 1251 O VAL A 81 1.358 33.388 -21.233 1.00 30.15 O ATOM 1252 CB VAL A 81 1.593 30.079 -21.390 1.00 12.44 C ATOM 1253 CG1 VAL A 81 2.295 30.684 -22.596 1.00 1.24 C ATOM 1254 CG2 VAL A 81 2.422 28.955 -20.788 1.00 73.52 C ATOM 0 H VAL A 81 0.177 29.674 -19.378 1.00 4.14 H new ATOM 0 HA VAL A 81 2.241 31.453 -19.856 1.00 62.31 H new ATOM 0 HB VAL A 81 0.644 29.661 -21.725 1.00 12.44 H new ATOM 0 HG11 VAL A 81 2.490 29.904 -23.332 1.00 1.24 H new ATOM 0 HG12 VAL A 81 1.660 31.451 -23.039 1.00 1.24 H new ATOM 0 HG13 VAL A 81 3.238 31.131 -22.282 1.00 1.24 H new ATOM 0 HG21 VAL A 81 2.616 28.199 -21.548 1.00 73.52 H new ATOM 0 HG22 VAL A 81 3.368 29.355 -20.424 1.00 73.52 H new ATOM 0 HG23 VAL A 81 1.876 28.504 -19.959 1.00 73.52 H new ATOM 1264 N THR A 82 -0.591 32.270 -21.361 1.00 24.32 N ATOM 1265 CA THR A 82 -1.297 33.358 -22.023 1.00 55.53 C ATOM 1266 C THR A 82 -1.222 34.642 -21.204 1.00 61.13 C ATOM 1267 O THR A 82 -0.978 35.721 -21.744 1.00 55.32 O ATOM 1268 CB THR A 82 -2.777 33.003 -22.265 1.00 3.23 C ATOM 1269 OG1 THR A 82 -2.903 32.212 -23.452 1.00 13.25 O ATOM 1270 CG2 THR A 82 -3.621 34.262 -22.396 1.00 31.24 C ATOM 0 H THR A 82 -1.160 31.441 -21.190 1.00 24.32 H new ATOM 0 HA THR A 82 -0.806 33.514 -22.984 1.00 55.53 H new ATOM 0 HB THR A 82 -3.136 32.432 -21.409 1.00 3.23 H new ATOM 0 HG1 THR A 82 -3.846 31.989 -23.598 1.00 13.25 H new ATOM 0 HG21 THR A 82 -4.662 33.986 -22.566 1.00 31.24 H new ATOM 0 HG22 THR A 82 -3.546 34.847 -21.480 1.00 31.24 H new ATOM 0 HG23 THR A 82 -3.261 34.856 -23.236 1.00 31.24 H new ATOM 1278 N PHE A 83 -1.431 34.518 -19.898 1.00 34.21 N ATOM 1279 CA PHE A 83 -1.387 35.669 -19.004 1.00 33.02 C ATOM 1280 C PHE A 83 -0.063 36.415 -19.142 1.00 73.33 C ATOM 1281 O PHE A 83 -0.027 37.645 -19.130 1.00 53.14 O ATOM 1282 CB PHE A 83 -1.585 35.223 -17.554 1.00 12.04 C ATOM 1283 CG PHE A 83 -2.702 35.942 -16.852 1.00 51.04 C ATOM 1284 CD1 PHE A 83 -2.748 37.327 -16.833 1.00 62.21 C ATOM 1285 CD2 PHE A 83 -3.706 35.233 -16.213 1.00 54.32 C ATOM 1286 CE1 PHE A 83 -3.774 37.991 -16.188 1.00 30.30 C ATOM 1287 CE2 PHE A 83 -4.735 35.892 -15.567 1.00 35.23 C ATOM 1288 CZ PHE A 83 -4.770 37.272 -15.555 1.00 43.41 C ATOM 0 H PHE A 83 -1.633 33.632 -19.435 1.00 34.21 H new ATOM 0 HA PHE A 83 -2.195 36.345 -19.283 1.00 33.02 H new ATOM 0 HB2 PHE A 83 -1.785 34.152 -17.536 1.00 12.04 H new ATOM 0 HB3 PHE A 83 -0.658 35.383 -17.003 1.00 12.04 H new ATOM 0 HD1 PHE A 83 -1.973 37.894 -17.328 1.00 62.21 H new ATOM 0 HD2 PHE A 83 -3.684 34.153 -16.220 1.00 54.32 H new ATOM 0 HE1 PHE A 83 -3.797 39.071 -16.179 1.00 30.30 H new ATOM 0 HE2 PHE A 83 -5.511 35.328 -15.072 1.00 35.23 H new ATOM 0 HZ PHE A 83 -5.574 37.789 -15.052 1.00 43.41 H new ATOM 1298 N SER A 84 1.023 35.660 -19.273 1.00 1.21 N ATOM 1299 CA SER A 84 2.350 36.248 -19.409 1.00 45.42 C ATOM 1300 C SER A 84 2.456 37.058 -20.698 1.00 64.32 C ATOM 1301 O SER A 84 2.994 38.166 -20.706 1.00 31.52 O ATOM 1302 CB SER A 84 3.420 35.155 -19.391 1.00 4.03 C ATOM 1303 OG SER A 84 4.722 35.714 -19.433 1.00 12.23 O ATOM 0 H SER A 84 1.010 34.640 -19.288 1.00 1.21 H new ATOM 0 HA SER A 84 2.511 36.918 -18.565 1.00 45.42 H new ATOM 0 HB2 SER A 84 3.310 34.549 -18.492 1.00 4.03 H new ATOM 0 HB3 SER A 84 3.279 34.490 -20.243 1.00 4.03 H new ATOM 0 HG SER A 84 5.387 34.995 -19.419 1.00 12.23 H new ATOM 1309 N ILE A 85 1.940 36.496 -21.786 1.00 30.01 N ATOM 1310 CA ILE A 85 1.975 37.165 -23.081 1.00 20.15 C ATOM 1311 C ILE A 85 1.290 38.526 -23.015 1.00 21.22 C ATOM 1312 O ILE A 85 1.738 39.489 -23.636 1.00 44.25 O ATOM 1313 CB ILE A 85 1.299 36.315 -24.172 1.00 73.41 C ATOM 1314 CG1 ILE A 85 1.972 34.944 -24.272 1.00 12.13 C ATOM 1315 CG2 ILE A 85 1.349 37.034 -25.511 1.00 45.35 C ATOM 1316 CD1 ILE A 85 3.448 35.018 -24.592 1.00 62.05 C ATOM 0 H ILE A 85 1.493 35.579 -21.797 1.00 30.01 H new ATOM 0 HA ILE A 85 3.026 37.302 -23.338 1.00 20.15 H new ATOM 0 HB ILE A 85 0.254 36.167 -23.900 1.00 73.41 H new ATOM 0 HG12 ILE A 85 1.839 34.413 -23.329 1.00 12.13 H new ATOM 0 HG13 ILE A 85 1.471 34.357 -25.042 1.00 12.13 H new ATOM 0 HG21 ILE A 85 0.867 36.420 -26.272 1.00 45.35 H new ATOM 0 HG22 ILE A 85 0.828 37.988 -25.431 1.00 45.35 H new ATOM 0 HG23 ILE A 85 2.388 37.210 -25.791 1.00 45.35 H new ATOM 0 HD11 ILE A 85 3.859 34.010 -24.648 1.00 62.05 H new ATOM 0 HD12 ILE A 85 3.588 35.520 -25.549 1.00 62.05 H new ATOM 0 HD13 ILE A 85 3.962 35.577 -23.810 1.00 62.05 H new ATOM 1328 N VAL A 86 0.201 38.598 -22.256 1.00 4.24 N ATOM 1329 CA VAL A 86 -0.545 39.842 -22.106 1.00 24.15 C ATOM 1330 C VAL A 86 0.335 40.944 -21.525 1.00 70.25 C ATOM 1331 O VAL A 86 0.372 42.061 -22.042 1.00 43.10 O ATOM 1332 CB VAL A 86 -1.776 39.652 -21.199 1.00 45.23 C ATOM 1333 CG1 VAL A 86 -2.253 40.992 -20.660 1.00 32.22 C ATOM 1334 CG2 VAL A 86 -2.890 38.945 -21.956 1.00 23.12 C ATOM 0 H VAL A 86 -0.184 37.810 -21.736 1.00 4.24 H new ATOM 0 HA VAL A 86 -0.878 40.134 -23.102 1.00 24.15 H new ATOM 0 HB VAL A 86 -1.490 39.028 -20.352 1.00 45.23 H new ATOM 0 HG11 VAL A 86 -3.123 40.839 -20.022 1.00 32.22 H new ATOM 0 HG12 VAL A 86 -1.455 41.456 -20.080 1.00 32.22 H new ATOM 0 HG13 VAL A 86 -2.523 41.643 -21.491 1.00 32.22 H new ATOM 0 HG21 VAL A 86 -3.752 38.819 -21.301 1.00 23.12 H new ATOM 0 HG22 VAL A 86 -3.177 39.541 -22.822 1.00 23.12 H new ATOM 0 HG23 VAL A 86 -2.541 37.967 -22.288 1.00 23.12 H new ATOM 1344 N THR A 87 1.044 40.622 -20.448 1.00 14.04 N ATOM 1345 CA THR A 87 1.923 41.584 -19.796 1.00 2.21 C ATOM 1346 C THR A 87 3.106 41.941 -20.689 1.00 54.03 C ATOM 1347 O THR A 87 3.517 43.099 -20.757 1.00 44.10 O ATOM 1348 CB THR A 87 2.453 41.043 -18.455 1.00 32.43 C ATOM 1349 OG1 THR A 87 3.490 40.083 -18.689 1.00 14.11 O ATOM 1350 CG2 THR A 87 1.333 40.400 -17.650 1.00 53.33 C ATOM 0 H THR A 87 1.026 39.702 -20.009 1.00 14.04 H new ATOM 0 HA THR A 87 1.328 42.478 -19.609 1.00 2.21 H new ATOM 0 HB THR A 87 2.855 41.880 -17.885 1.00 32.43 H new ATOM 0 HG1 THR A 87 3.201 39.451 -19.380 1.00 14.11 H new ATOM 0 HG21 THR A 87 1.731 40.025 -16.707 1.00 53.33 H new ATOM 0 HG22 THR A 87 0.559 41.140 -17.448 1.00 53.33 H new ATOM 0 HG23 THR A 87 0.905 39.573 -18.217 1.00 53.33 H new ATOM 1358 N SER A 88 3.648 40.939 -21.374 1.00 54.02 N ATOM 1359 CA SER A 88 4.786 41.147 -22.262 1.00 14.31 C ATOM 1360 C SER A 88 4.490 42.250 -23.275 1.00 20.55 C ATOM 1361 O SER A 88 5.302 43.152 -23.482 1.00 74.43 O ATOM 1362 CB SER A 88 5.134 39.849 -22.992 1.00 24.32 C ATOM 1363 OG SER A 88 6.317 39.270 -22.467 1.00 13.43 O ATOM 0 H SER A 88 3.317 39.975 -21.331 1.00 54.02 H new ATOM 0 HA SER A 88 5.638 41.454 -21.655 1.00 14.31 H new ATOM 0 HB2 SER A 88 4.308 39.144 -22.900 1.00 24.32 H new ATOM 0 HB3 SER A 88 5.265 40.050 -24.055 1.00 24.32 H new ATOM 0 HG SER A 88 6.517 38.441 -22.949 1.00 13.43 H new ATOM 1369 N VAL A 89 3.321 42.169 -23.903 1.00 3.53 N ATOM 1370 CA VAL A 89 2.916 43.160 -24.893 1.00 63.22 C ATOM 1371 C VAL A 89 2.539 44.479 -24.229 1.00 3.22 C ATOM 1372 O VAL A 89 2.876 45.555 -24.726 1.00 31.32 O ATOM 1373 CB VAL A 89 1.724 42.661 -25.731 1.00 63.42 C ATOM 1374 CG1 VAL A 89 1.287 43.726 -26.725 1.00 72.31 C ATOM 1375 CG2 VAL A 89 2.081 41.366 -26.447 1.00 3.54 C ATOM 0 H VAL A 89 2.638 41.428 -23.744 1.00 3.53 H new ATOM 0 HA VAL A 89 3.772 43.319 -25.549 1.00 63.22 H new ATOM 0 HB VAL A 89 0.889 42.460 -25.060 1.00 63.42 H new ATOM 0 HG11 VAL A 89 0.444 43.355 -27.308 1.00 72.31 H new ATOM 0 HG12 VAL A 89 0.988 44.626 -26.187 1.00 72.31 H new ATOM 0 HG13 VAL A 89 2.115 43.961 -27.394 1.00 72.31 H new ATOM 0 HG21 VAL A 89 1.227 41.028 -27.034 1.00 3.54 H new ATOM 0 HG22 VAL A 89 2.931 41.538 -27.108 1.00 3.54 H new ATOM 0 HG23 VAL A 89 2.341 40.604 -25.712 1.00 3.54 H new ATOM 1385 N CYS A 90 1.840 44.390 -23.103 1.00 74.53 N ATOM 1386 CA CYS A 90 1.416 45.577 -22.370 1.00 31.03 C ATOM 1387 C CYS A 90 2.602 46.492 -22.084 1.00 64.14 C ATOM 1388 O CYS A 90 2.456 47.712 -22.013 1.00 11.13 O ATOM 1389 CB CYS A 90 0.738 45.177 -21.059 1.00 31.14 C ATOM 1390 SG CYS A 90 -1.068 45.137 -21.144 1.00 22.35 S ATOM 0 H CYS A 90 1.555 43.508 -22.678 1.00 74.53 H new ATOM 0 HA CYS A 90 0.702 46.120 -22.989 1.00 31.03 H new ATOM 0 HB2 CYS A 90 1.099 44.192 -20.761 1.00 31.14 H new ATOM 0 HB3 CYS A 90 1.039 45.876 -20.279 1.00 31.14 H new ATOM 0 HG CYS A 90 -1.549 44.786 -19.988 1.00 22.35 H new ATOM 1396 N VAL A 91 3.778 45.894 -21.921 1.00 23.14 N ATOM 1397 CA VAL A 91 4.991 46.655 -21.642 1.00 74.52 C ATOM 1398 C VAL A 91 5.654 47.122 -22.933 1.00 4.25 C ATOM 1399 O VAL A 91 6.170 48.238 -23.009 1.00 53.35 O ATOM 1400 CB VAL A 91 6.001 45.823 -20.830 1.00 61.33 C ATOM 1401 CG1 VAL A 91 7.300 46.593 -20.644 1.00 73.54 C ATOM 1402 CG2 VAL A 91 5.408 45.429 -19.486 1.00 21.21 C ATOM 0 H VAL A 91 3.917 44.885 -21.977 1.00 23.14 H new ATOM 0 HA VAL A 91 4.693 47.524 -21.055 1.00 74.52 H new ATOM 0 HB VAL A 91 6.223 44.911 -21.384 1.00 61.33 H new ATOM 0 HG11 VAL A 91 8.001 45.989 -20.068 1.00 73.54 H new ATOM 0 HG12 VAL A 91 7.732 46.819 -21.619 1.00 73.54 H new ATOM 0 HG13 VAL A 91 7.099 47.523 -20.112 1.00 73.54 H new ATOM 0 HG21 VAL A 91 6.135 44.842 -18.926 1.00 21.21 H new ATOM 0 HG22 VAL A 91 5.155 46.327 -18.922 1.00 21.21 H new ATOM 0 HG23 VAL A 91 4.508 44.835 -19.645 1.00 21.21 H new ATOM 1412 N LEU A 92 5.638 46.262 -23.945 1.00 2.21 N ATOM 1413 CA LEU A 92 6.238 46.587 -25.234 1.00 62.03 C ATOM 1414 C LEU A 92 5.683 47.899 -25.778 1.00 51.42 C ATOM 1415 O LEU A 92 6.433 48.835 -26.054 1.00 14.15 O ATOM 1416 CB LEU A 92 5.985 45.459 -26.236 1.00 35.23 C ATOM 1417 CG LEU A 92 6.703 45.581 -27.580 1.00 73.42 C ATOM 1418 CD1 LEU A 92 8.040 44.858 -27.538 1.00 44.52 C ATOM 1419 CD2 LEU A 92 5.833 45.031 -28.701 1.00 73.12 C ATOM 0 H LEU A 92 5.216 45.334 -23.898 1.00 2.21 H new ATOM 0 HA LEU A 92 7.312 46.701 -25.088 1.00 62.03 H new ATOM 0 HB2 LEU A 92 6.280 44.517 -25.774 1.00 35.23 H new ATOM 0 HB3 LEU A 92 4.913 45.401 -26.424 1.00 35.23 H new ATOM 0 HG LEU A 92 6.890 46.637 -27.776 1.00 73.42 H new ATOM 0 HD11 LEU A 92 8.537 44.956 -28.503 1.00 44.52 H new ATOM 0 HD12 LEU A 92 8.667 45.297 -26.761 1.00 44.52 H new ATOM 0 HD13 LEU A 92 7.876 43.803 -27.319 1.00 44.52 H new ATOM 0 HD21 LEU A 92 6.360 45.126 -29.650 1.00 73.12 H new ATOM 0 HD22 LEU A 92 5.615 43.980 -28.510 1.00 73.12 H new ATOM 0 HD23 LEU A 92 4.900 45.592 -28.746 1.00 73.12 H new ATOM 1632 N GLY A 108 1.560 50.357 -9.039 1.00 65.32 N ATOM 1633 CA GLY A 108 1.899 49.078 -8.443 1.00 65.20 C ATOM 1634 C GLY A 108 1.406 47.905 -9.267 1.00 31.02 C ATOM 1635 O GLY A 108 1.503 46.754 -8.840 1.00 70.13 O ATOM 0 HA2 GLY A 108 2.981 49.009 -8.329 1.00 65.20 H new ATOM 0 HA3 GLY A 108 1.469 49.021 -7.443 1.00 65.20 H new ATOM 1639 N ILE A 109 0.874 48.197 -10.449 1.00 32.41 N ATOM 1640 CA ILE A 109 0.363 47.157 -11.333 1.00 72.15 C ATOM 1641 C ILE A 109 1.396 46.055 -11.540 1.00 71.45 C ATOM 1642 O ILE A 109 1.050 44.878 -11.646 1.00 23.41 O ATOM 1643 CB ILE A 109 -0.040 47.732 -12.704 1.00 63.14 C ATOM 1644 CG1 ILE A 109 -0.289 46.600 -13.703 1.00 72.02 C ATOM 1645 CG2 ILE A 109 1.038 48.673 -13.221 1.00 10.41 C ATOM 1646 CD1 ILE A 109 0.904 46.296 -14.582 1.00 32.30 C ATOM 0 H ILE A 109 0.786 49.144 -10.816 1.00 32.41 H new ATOM 0 HA ILE A 109 -0.520 46.738 -10.850 1.00 72.15 H new ATOM 0 HB ILE A 109 -0.964 48.298 -12.587 1.00 63.14 H new ATOM 0 HG12 ILE A 109 -0.566 45.699 -13.157 1.00 72.02 H new ATOM 0 HG13 ILE A 109 -1.137 46.864 -14.334 1.00 72.02 H new ATOM 0 HG21 ILE A 109 0.739 49.071 -14.191 1.00 10.41 H new ATOM 0 HG22 ILE A 109 1.172 49.494 -12.517 1.00 10.41 H new ATOM 0 HG23 ILE A 109 1.976 48.128 -13.326 1.00 10.41 H new ATOM 0 HD11 ILE A 109 0.655 45.484 -15.265 1.00 32.30 H new ATOM 0 HD12 ILE A 109 1.169 47.184 -15.156 1.00 32.30 H new ATOM 0 HD13 ILE A 109 1.749 46.001 -13.960 1.00 32.30 H new ATOM 1658 N ASP A 110 2.665 46.444 -11.596 1.00 72.40 N ATOM 1659 CA ASP A 110 3.750 45.488 -11.787 1.00 52.14 C ATOM 1660 C ASP A 110 3.904 44.589 -10.565 1.00 35.40 C ATOM 1661 O ASP A 110 3.906 43.363 -10.681 1.00 24.15 O ATOM 1662 CB ASP A 110 5.062 46.223 -12.064 1.00 4.15 C ATOM 1663 CG ASP A 110 5.323 46.405 -13.546 1.00 0.42 C ATOM 1664 OD1 ASP A 110 4.363 46.291 -14.336 1.00 55.10 O ATOM 1665 OD2 ASP A 110 6.487 46.663 -13.916 1.00 4.43 O ATOM 0 H ASP A 110 2.968 47.414 -11.512 1.00 72.40 H new ATOM 0 HA ASP A 110 3.504 44.863 -12.646 1.00 52.14 H new ATOM 0 HB2 ASP A 110 5.037 47.199 -11.580 1.00 4.15 H new ATOM 0 HB3 ASP A 110 5.887 45.667 -11.618 1.00 4.15 H new ATOM 1670 N ARG A 111 4.032 45.206 -9.395 1.00 22.40 N ATOM 1671 CA ARG A 111 4.189 44.461 -8.152 1.00 31.35 C ATOM 1672 C ARG A 111 2.980 43.565 -7.899 1.00 20.45 C ATOM 1673 O ARG A 111 3.083 42.543 -7.219 1.00 33.44 O ATOM 1674 CB ARG A 111 4.379 45.422 -6.977 1.00 25.12 C ATOM 1675 CG ARG A 111 5.694 45.228 -6.238 1.00 75.11 C ATOM 1676 CD ARG A 111 6.801 46.080 -6.838 1.00 10.11 C ATOM 1677 NE ARG A 111 7.733 46.561 -5.822 1.00 12.35 N ATOM 1678 CZ ARG A 111 8.755 47.367 -6.085 1.00 2.54 C ATOM 1679 NH1 ARG A 111 8.976 47.781 -7.325 1.00 33.21 N ATOM 1680 NH2 ARG A 111 9.559 47.762 -5.106 1.00 4.33 N ATOM 0 H ARG A 111 4.030 46.220 -9.282 1.00 22.40 H new ATOM 0 HA ARG A 111 5.074 43.831 -8.245 1.00 31.35 H new ATOM 0 HB2 ARG A 111 4.326 46.447 -7.345 1.00 25.12 H new ATOM 0 HB3 ARG A 111 3.555 45.292 -6.275 1.00 25.12 H new ATOM 0 HG2 ARG A 111 5.564 45.486 -5.187 1.00 75.11 H new ATOM 0 HG3 ARG A 111 5.982 44.177 -6.275 1.00 75.11 H new ATOM 0 HD2 ARG A 111 7.344 45.497 -7.582 1.00 10.11 H new ATOM 0 HD3 ARG A 111 6.362 46.931 -7.359 1.00 10.11 H new ATOM 0 HE ARG A 111 7.591 46.261 -4.857 1.00 12.35 H new ATOM 0 HH11 ARG A 111 8.360 47.480 -8.080 1.00 33.21 H new ATOM 0 HH12 ARG A 111 9.762 48.400 -7.524 1.00 33.21 H new ATOM 0 HH21 ARG A 111 9.392 47.446 -4.150 1.00 4.33 H new ATOM 0 HH22 ARG A 111 10.344 48.381 -5.309 1.00 4.33 H new ATOM 1694 N LEU A 112 1.836 43.955 -8.449 1.00 73.51 N ATOM 1695 CA LEU A 112 0.606 43.187 -8.283 1.00 42.12 C ATOM 1696 C LEU A 112 0.706 41.839 -8.990 1.00 23.01 C ATOM 1697 O LEU A 112 0.404 40.797 -8.408 1.00 14.22 O ATOM 1698 CB LEU A 112 -0.587 43.974 -8.828 1.00 41.11 C ATOM 1699 CG LEU A 112 -1.932 43.707 -8.152 1.00 11.52 C ATOM 1700 CD1 LEU A 112 -2.384 44.927 -7.363 1.00 60.22 C ATOM 1701 CD2 LEU A 112 -2.980 43.319 -9.184 1.00 55.22 C ATOM 0 H LEU A 112 1.734 44.798 -9.014 1.00 73.51 H new ATOM 0 HA LEU A 112 0.460 43.008 -7.218 1.00 42.12 H new ATOM 0 HB2 LEU A 112 -0.365 45.038 -8.742 1.00 41.11 H new ATOM 0 HB3 LEU A 112 -0.687 43.754 -9.891 1.00 41.11 H new ATOM 0 HG LEU A 112 -1.810 42.875 -7.458 1.00 11.52 H new ATOM 0 HD11 LEU A 112 -3.343 44.719 -6.889 1.00 60.22 H new ATOM 0 HD12 LEU A 112 -1.644 45.160 -6.598 1.00 60.22 H new ATOM 0 HD13 LEU A 112 -2.490 45.777 -8.037 1.00 60.22 H new ATOM 0 HD21 LEU A 112 -3.931 43.133 -8.685 1.00 55.22 H new ATOM 0 HD22 LEU A 112 -3.100 44.129 -9.903 1.00 55.22 H new ATOM 0 HD23 LEU A 112 -2.661 42.416 -9.705 1.00 55.22 H new ATOM 1713 N PHE A 113 1.135 41.866 -10.247 1.00 51.34 N ATOM 1714 CA PHE A 113 1.276 40.646 -11.034 1.00 5.34 C ATOM 1715 C PHE A 113 2.388 39.764 -10.473 1.00 45.33 C ATOM 1716 O PHE A 113 2.392 38.549 -10.671 1.00 74.53 O ATOM 1717 CB PHE A 113 1.569 40.988 -12.496 1.00 71.31 C ATOM 1718 CG PHE A 113 2.528 40.037 -13.153 1.00 44.33 C ATOM 1719 CD1 PHE A 113 2.072 38.872 -13.749 1.00 12.44 C ATOM 1720 CD2 PHE A 113 3.887 40.309 -13.176 1.00 71.22 C ATOM 1721 CE1 PHE A 113 2.953 37.996 -14.353 1.00 73.23 C ATOM 1722 CE2 PHE A 113 4.773 39.436 -13.780 1.00 13.12 C ATOM 1723 CZ PHE A 113 4.305 38.279 -14.370 1.00 34.40 C ATOM 0 H PHE A 113 1.391 42.720 -10.743 1.00 51.34 H new ATOM 0 HA PHE A 113 0.337 40.096 -10.979 1.00 5.34 H new ATOM 0 HB2 PHE A 113 0.633 40.992 -13.055 1.00 71.31 H new ATOM 0 HB3 PHE A 113 1.976 41.998 -12.550 1.00 71.31 H new ATOM 0 HD1 PHE A 113 1.016 38.646 -13.741 1.00 12.44 H new ATOM 0 HD2 PHE A 113 4.258 41.213 -12.717 1.00 71.22 H new ATOM 0 HE1 PHE A 113 2.585 37.090 -14.812 1.00 73.23 H new ATOM 0 HE2 PHE A 113 5.830 39.659 -13.790 1.00 13.12 H new ATOM 0 HZ PHE A 113 4.995 37.596 -14.844 1.00 34.40 H new ATOM 1733 N LEU A 114 3.332 40.385 -9.774 1.00 13.14 N ATOM 1734 CA LEU A 114 4.451 39.658 -9.184 1.00 74.12 C ATOM 1735 C LEU A 114 3.975 38.747 -8.057 1.00 12.33 C ATOM 1736 O LEU A 114 4.379 37.588 -7.970 1.00 23.14 O ATOM 1737 CB LEU A 114 5.499 40.638 -8.656 1.00 25.25 C ATOM 1738 CG LEU A 114 6.757 40.800 -9.510 1.00 3.02 C ATOM 1739 CD1 LEU A 114 6.586 41.941 -10.501 1.00 30.22 C ATOM 1740 CD2 LEU A 114 7.974 41.036 -8.627 1.00 65.25 C ATOM 0 H LEU A 114 3.345 41.390 -9.602 1.00 13.14 H new ATOM 0 HA LEU A 114 4.900 39.039 -9.960 1.00 74.12 H new ATOM 0 HB2 LEU A 114 5.030 41.616 -8.546 1.00 25.25 H new ATOM 0 HB3 LEU A 114 5.800 40.315 -7.659 1.00 25.25 H new ATOM 0 HG LEU A 114 6.913 39.879 -10.071 1.00 3.02 H new ATOM 0 HD11 LEU A 114 7.491 42.041 -11.100 1.00 30.22 H new ATOM 0 HD12 LEU A 114 5.740 41.731 -11.155 1.00 30.22 H new ATOM 0 HD13 LEU A 114 6.405 42.869 -9.959 1.00 30.22 H new ATOM 0 HD21 LEU A 114 8.860 41.149 -9.251 1.00 65.25 H new ATOM 0 HD22 LEU A 114 7.827 41.942 -8.039 1.00 65.25 H new ATOM 0 HD23 LEU A 114 8.108 40.186 -7.957 1.00 65.25 H new ATOM 1752 N TRP A 115 3.113 39.279 -7.198 1.00 0.33 N ATOM 1753 CA TRP A 115 2.580 38.513 -6.077 1.00 2.44 C ATOM 1754 C TRP A 115 1.454 37.592 -6.533 1.00 1.31 C ATOM 1755 O TRP A 115 1.376 36.437 -6.113 1.00 44.41 O ATOM 1756 CB TRP A 115 2.074 39.456 -4.983 1.00 73.34 C ATOM 1757 CG TRP A 115 2.681 39.187 -3.640 1.00 13.33 C ATOM 1758 CD1 TRP A 115 2.742 37.986 -2.993 1.00 63.34 C ATOM 1759 CD2 TRP A 115 3.310 40.142 -2.777 1.00 71.55 C ATOM 1760 NE1 TRP A 115 3.372 38.136 -1.781 1.00 71.43 N ATOM 1761 CE2 TRP A 115 3.731 39.448 -1.626 1.00 14.44 C ATOM 1762 CE3 TRP A 115 3.561 41.513 -2.867 1.00 51.32 C ATOM 1763 CZ2 TRP A 115 4.386 40.082 -0.573 1.00 40.55 C ATOM 1764 CZ3 TRP A 115 4.211 42.141 -1.822 1.00 42.20 C ATOM 1765 CH2 TRP A 115 4.619 41.426 -0.688 1.00 15.21 C ATOM 0 H TRP A 115 2.768 40.237 -7.256 1.00 0.33 H new ATOM 0 HA TRP A 115 3.385 37.899 -5.674 1.00 2.44 H new ATOM 0 HB2 TRP A 115 2.290 40.485 -5.272 1.00 73.34 H new ATOM 0 HB3 TRP A 115 0.990 39.366 -4.909 1.00 73.34 H new ATOM 0 HD1 TRP A 115 2.352 37.055 -3.377 1.00 63.34 H new ATOM 0 HE1 TRP A 115 3.544 37.391 -1.106 1.00 71.43 H new ATOM 0 HE3 TRP A 115 3.253 42.072 -3.738 1.00 51.32 H new ATOM 0 HZ2 TRP A 115 4.699 39.533 0.303 1.00 40.55 H new ATOM 0 HZ3 TRP A 115 4.408 43.201 -1.880 1.00 42.20 H new ATOM 0 HH2 TRP A 115 5.127 41.945 0.111 1.00 15.21 H new ATOM 1776 N ILE A 116 0.584 38.110 -7.394 1.00 24.12 N ATOM 1777 CA ILE A 116 -0.536 37.332 -7.907 1.00 54.23 C ATOM 1778 C ILE A 116 -0.055 36.048 -8.573 1.00 61.33 C ATOM 1779 O ILE A 116 -0.794 35.067 -8.663 1.00 11.14 O ATOM 1780 CB ILE A 116 -1.367 38.142 -8.920 1.00 43.33 C ATOM 1781 CG1 ILE A 116 -2.848 37.778 -8.806 1.00 13.24 C ATOM 1782 CG2 ILE A 116 -0.863 37.896 -10.335 1.00 12.52 C ATOM 1783 CD1 ILE A 116 -3.779 38.938 -9.085 1.00 61.41 C ATOM 0 H ILE A 116 0.634 39.064 -7.750 1.00 24.12 H new ATOM 0 HA ILE A 116 -1.164 37.081 -7.052 1.00 54.23 H new ATOM 0 HB ILE A 116 -1.255 39.202 -8.694 1.00 43.33 H new ATOM 0 HG12 ILE A 116 -3.070 36.969 -9.502 1.00 13.24 H new ATOM 0 HG13 ILE A 116 -3.044 37.398 -7.803 1.00 13.24 H new ATOM 0 HG21 ILE A 116 -1.460 38.475 -11.040 1.00 12.52 H new ATOM 0 HG22 ILE A 116 0.181 38.201 -10.408 1.00 12.52 H new ATOM 0 HG23 ILE A 116 -0.949 36.836 -10.573 1.00 12.52 H new ATOM 0 HD11 ILE A 116 -4.813 38.607 -8.986 1.00 61.41 H new ATOM 0 HD12 ILE A 116 -3.585 39.740 -8.373 1.00 61.41 H new ATOM 0 HD13 ILE A 116 -3.611 39.304 -10.098 1.00 61.41 H new ATOM 1795 N PHE A 117 1.190 36.059 -9.038 1.00 51.53 N ATOM 1796 CA PHE A 117 1.772 34.895 -9.696 1.00 15.02 C ATOM 1797 C PHE A 117 2.269 33.882 -8.668 1.00 54.15 C ATOM 1798 O PHE A 117 1.826 32.734 -8.648 1.00 31.42 O ATOM 1799 CB PHE A 117 2.924 35.320 -10.608 1.00 51.50 C ATOM 1800 CG PHE A 117 3.188 34.357 -11.730 1.00 34.03 C ATOM 1801 CD1 PHE A 117 3.768 33.124 -11.479 1.00 42.15 C ATOM 1802 CD2 PHE A 117 2.855 34.684 -13.034 1.00 44.54 C ATOM 1803 CE1 PHE A 117 4.012 32.235 -12.509 1.00 60.13 C ATOM 1804 CE2 PHE A 117 3.096 33.799 -14.068 1.00 44.31 C ATOM 1805 CZ PHE A 117 3.676 32.574 -13.805 1.00 65.44 C ATOM 0 H PHE A 117 1.816 36.862 -8.971 1.00 51.53 H new ATOM 0 HA PHE A 117 0.996 34.424 -10.299 1.00 15.02 H new ATOM 0 HB2 PHE A 117 2.702 36.301 -11.027 1.00 51.50 H new ATOM 0 HB3 PHE A 117 3.829 35.426 -10.011 1.00 51.50 H new ATOM 0 HD1 PHE A 117 4.032 32.854 -10.467 1.00 42.15 H new ATOM 0 HD2 PHE A 117 2.402 35.641 -13.245 1.00 44.54 H new ATOM 0 HE1 PHE A 117 4.465 31.277 -12.301 1.00 60.13 H new ATOM 0 HE2 PHE A 117 2.831 34.065 -15.080 1.00 44.31 H new ATOM 0 HZ PHE A 117 3.867 31.882 -14.612 1.00 65.44 H new ATOM 1815 N VAL A 118 3.192 34.316 -7.817 1.00 45.41 N ATOM 1816 CA VAL A 118 3.750 33.449 -6.786 1.00 44.14 C ATOM 1817 C VAL A 118 2.649 32.837 -5.928 1.00 62.11 C ATOM 1818 O VAL A 118 2.815 31.755 -5.365 1.00 25.22 O ATOM 1819 CB VAL A 118 4.729 34.216 -5.877 1.00 34.12 C ATOM 1820 CG1 VAL A 118 5.354 33.279 -4.855 1.00 33.24 C ATOM 1821 CG2 VAL A 118 5.801 34.903 -6.708 1.00 42.22 C ATOM 0 H VAL A 118 3.570 35.263 -7.821 1.00 45.41 H new ATOM 0 HA VAL A 118 4.290 32.654 -7.299 1.00 44.14 H new ATOM 0 HB VAL A 118 4.172 34.983 -5.339 1.00 34.12 H new ATOM 0 HG11 VAL A 118 6.043 33.838 -4.222 1.00 33.24 H new ATOM 0 HG12 VAL A 118 4.571 32.838 -4.238 1.00 33.24 H new ATOM 0 HG13 VAL A 118 5.897 32.488 -5.371 1.00 33.24 H new ATOM 0 HG21 VAL A 118 6.484 35.440 -6.049 1.00 42.22 H new ATOM 0 HG22 VAL A 118 6.356 34.156 -7.275 1.00 42.22 H new ATOM 0 HG23 VAL A 118 5.333 35.606 -7.396 1.00 42.22 H new ATOM 1831 N PHE A 119 1.523 33.536 -5.833 1.00 1.00 N ATOM 1832 CA PHE A 119 0.393 33.062 -5.043 1.00 21.44 C ATOM 1833 C PHE A 119 -0.274 31.863 -5.712 1.00 3.32 C ATOM 1834 O PHE A 119 -0.364 30.783 -5.129 1.00 21.15 O ATOM 1835 CB PHE A 119 -0.628 34.185 -4.848 1.00 63.30 C ATOM 1836 CG PHE A 119 -1.288 34.168 -3.499 1.00 25.22 C ATOM 1837 CD1 PHE A 119 -1.620 32.968 -2.890 1.00 43.23 C ATOM 1838 CD2 PHE A 119 -1.576 35.352 -2.839 1.00 71.33 C ATOM 1839 CE1 PHE A 119 -2.227 32.949 -1.649 1.00 3.14 C ATOM 1840 CE2 PHE A 119 -2.182 35.339 -1.597 1.00 74.24 C ATOM 1841 CZ PHE A 119 -2.509 34.136 -1.002 1.00 13.21 C ATOM 0 H PHE A 119 1.369 34.433 -6.293 1.00 1.00 H new ATOM 0 HA PHE A 119 0.769 32.750 -4.069 1.00 21.44 H new ATOM 0 HB2 PHE A 119 -0.131 35.145 -4.988 1.00 63.30 H new ATOM 0 HB3 PHE A 119 -1.394 34.107 -5.619 1.00 63.30 H new ATOM 0 HD1 PHE A 119 -1.402 32.037 -3.391 1.00 43.23 H new ATOM 0 HD2 PHE A 119 -1.324 36.295 -3.300 1.00 71.33 H new ATOM 0 HE1 PHE A 119 -2.481 32.007 -1.186 1.00 3.14 H new ATOM 0 HE2 PHE A 119 -2.400 36.269 -1.092 1.00 74.24 H new ATOM 0 HZ PHE A 119 -2.984 34.124 -0.032 1.00 13.21 H new ATOM 1851 N VAL A 120 -0.740 32.063 -6.940 1.00 54.03 N ATOM 1852 CA VAL A 120 -1.399 31.000 -7.690 1.00 42.02 C ATOM 1853 C VAL A 120 -0.471 29.805 -7.879 1.00 72.00 C ATOM 1854 O VAL A 120 -0.926 28.679 -8.082 1.00 35.30 O ATOM 1855 CB VAL A 120 -1.868 31.495 -9.071 1.00 61.02 C ATOM 1856 CG1 VAL A 120 -0.686 31.989 -9.891 1.00 51.33 C ATOM 1857 CG2 VAL A 120 -2.614 30.392 -9.807 1.00 22.01 C ATOM 0 H VAL A 120 -0.674 32.951 -7.437 1.00 54.03 H new ATOM 0 HA VAL A 120 -2.268 30.694 -7.108 1.00 42.02 H new ATOM 0 HB VAL A 120 -2.553 32.330 -8.925 1.00 61.02 H new ATOM 0 HG11 VAL A 120 -1.037 32.335 -10.863 1.00 51.33 H new ATOM 0 HG12 VAL A 120 -0.199 32.812 -9.368 1.00 51.33 H new ATOM 0 HG13 VAL A 120 0.026 31.175 -10.030 1.00 51.33 H new ATOM 0 HG21 VAL A 120 -2.938 30.759 -10.781 1.00 22.01 H new ATOM 0 HG22 VAL A 120 -1.954 29.535 -9.943 1.00 22.01 H new ATOM 0 HG23 VAL A 120 -3.485 30.090 -9.225 1.00 22.01 H new ATOM 1867 N CYS A 121 0.831 30.058 -7.810 1.00 61.54 N ATOM 1868 CA CYS A 121 1.824 29.002 -7.974 1.00 63.13 C ATOM 1869 C CYS A 121 1.951 28.172 -6.701 1.00 75.31 C ATOM 1870 O CYS A 121 2.023 26.944 -6.753 1.00 22.24 O ATOM 1871 CB CYS A 121 3.182 29.603 -8.342 1.00 74.14 C ATOM 1872 SG CYS A 121 3.409 29.882 -10.114 1.00 42.13 S ATOM 0 H CYS A 121 1.224 30.984 -7.642 1.00 61.54 H new ATOM 0 HA CYS A 121 1.493 28.348 -8.781 1.00 63.13 H new ATOM 0 HB2 CYS A 121 3.302 30.551 -7.817 1.00 74.14 H new ATOM 0 HB3 CYS A 121 3.970 28.939 -7.986 1.00 74.14 H new ATOM 0 HG CYS A 121 3.384 31.158 -10.359 1.00 42.13 H new ATOM 1878 N VAL A 122 1.978 28.850 -5.558 1.00 54.45 N ATOM 1879 CA VAL A 122 2.096 28.176 -4.271 1.00 70.03 C ATOM 1880 C VAL A 122 0.951 27.191 -4.059 1.00 45.45 C ATOM 1881 O VAL A 122 1.129 26.138 -3.447 1.00 4.42 O ATOM 1882 CB VAL A 122 2.112 29.185 -3.108 1.00 41.51 C ATOM 1883 CG1 VAL A 122 1.836 28.483 -1.787 1.00 53.15 C ATOM 1884 CG2 VAL A 122 3.442 29.923 -3.061 1.00 71.43 C ATOM 0 H VAL A 122 1.920 29.867 -5.497 1.00 54.45 H new ATOM 0 HA VAL A 122 3.041 27.633 -4.284 1.00 70.03 H new ATOM 0 HB VAL A 122 1.322 29.917 -3.275 1.00 41.51 H new ATOM 0 HG11 VAL A 122 1.851 29.212 -0.977 1.00 53.15 H new ATOM 0 HG12 VAL A 122 0.857 28.005 -1.826 1.00 53.15 H new ATOM 0 HG13 VAL A 122 2.601 27.728 -1.610 1.00 53.15 H new ATOM 0 HG21 VAL A 122 3.436 30.632 -2.233 1.00 71.43 H new ATOM 0 HG22 VAL A 122 4.251 29.206 -2.919 1.00 71.43 H new ATOM 0 HG23 VAL A 122 3.593 30.460 -3.997 1.00 71.43 H new ATOM 1894 N PHE A 123 -0.224 27.541 -4.571 1.00 34.42 N ATOM 1895 CA PHE A 123 -1.400 26.688 -4.438 1.00 24.45 C ATOM 1896 C PHE A 123 -1.333 25.514 -5.411 1.00 12.14 C ATOM 1897 O PHE A 123 -1.597 24.371 -5.040 1.00 61.15 O ATOM 1898 CB PHE A 123 -2.674 27.497 -4.684 1.00 13.52 C ATOM 1899 CG PHE A 123 -3.930 26.770 -4.298 1.00 15.33 C ATOM 1900 CD1 PHE A 123 -4.236 26.548 -2.965 1.00 30.04 C ATOM 1901 CD2 PHE A 123 -4.806 26.310 -5.268 1.00 30.54 C ATOM 1902 CE1 PHE A 123 -5.391 25.878 -2.607 1.00 1.42 C ATOM 1903 CE2 PHE A 123 -5.963 25.640 -4.916 1.00 23.42 C ATOM 1904 CZ PHE A 123 -6.256 25.425 -3.583 1.00 61.34 C ATOM 0 H PHE A 123 -0.388 28.409 -5.082 1.00 34.42 H new ATOM 0 HA PHE A 123 -1.419 26.294 -3.422 1.00 24.45 H new ATOM 0 HB2 PHE A 123 -2.617 28.430 -4.123 1.00 13.52 H new ATOM 0 HB3 PHE A 123 -2.728 27.763 -5.740 1.00 13.52 H new ATOM 0 HD1 PHE A 123 -3.565 26.902 -2.197 1.00 30.04 H new ATOM 0 HD2 PHE A 123 -4.582 26.477 -6.311 1.00 30.54 H new ATOM 0 HE1 PHE A 123 -5.617 25.709 -1.564 1.00 1.42 H new ATOM 0 HE2 PHE A 123 -6.637 25.285 -5.682 1.00 23.42 H new ATOM 0 HZ PHE A 123 -7.160 24.904 -3.305 1.00 61.34 H new ATOM 1914 N GLY A 124 -0.979 25.807 -6.658 1.00 71.24 N ATOM 1915 CA GLY A 124 -0.885 24.767 -7.666 1.00 60.21 C ATOM 1916 C GLY A 124 0.204 23.758 -7.358 1.00 51.24 C ATOM 1917 O GLY A 124 -0.042 22.552 -7.343 1.00 74.40 O ATOM 0 H GLY A 124 -0.756 26.746 -6.989 1.00 71.24 H new ATOM 0 HA2 GLY A 124 -1.842 24.252 -7.742 1.00 60.21 H new ATOM 0 HA3 GLY A 124 -0.690 25.223 -8.637 1.00 60.21 H new ATOM 1921 N THR A 125 1.414 24.252 -7.114 1.00 31.21 N ATOM 1922 CA THR A 125 2.545 23.385 -6.808 1.00 43.52 C ATOM 1923 C THR A 125 2.250 22.500 -5.603 1.00 0.22 C ATOM 1924 O THR A 125 2.481 21.291 -5.637 1.00 44.34 O ATOM 1925 CB THR A 125 3.820 24.204 -6.530 1.00 23.31 C ATOM 1926 OG1 THR A 125 3.624 25.043 -5.386 1.00 61.50 O ATOM 1927 CG2 THR A 125 4.189 25.057 -7.734 1.00 0.42 C ATOM 0 H THR A 125 1.636 25.248 -7.122 1.00 31.21 H new ATOM 0 HA THR A 125 2.708 22.757 -7.684 1.00 43.52 H new ATOM 0 HB THR A 125 4.636 23.509 -6.334 1.00 23.31 H new ATOM 0 HG1 THR A 125 3.068 25.811 -5.635 1.00 61.50 H new ATOM 0 HG21 THR A 125 5.092 25.626 -7.514 1.00 0.42 H new ATOM 0 HG22 THR A 125 4.367 24.413 -8.595 1.00 0.42 H new ATOM 0 HG23 THR A 125 3.373 25.744 -7.957 1.00 0.42 H new ATOM 1935 N ILE A 126 1.738 23.109 -4.539 1.00 13.22 N ATOM 1936 CA ILE A 126 1.409 22.375 -3.323 1.00 62.23 C ATOM 1937 C ILE A 126 0.254 21.407 -3.561 1.00 5.54 C ATOM 1938 O ILE A 126 0.194 20.336 -2.958 1.00 44.35 O ATOM 1939 CB ILE A 126 1.037 23.328 -2.173 1.00 1.34 C ATOM 1940 CG1 ILE A 126 2.300 23.925 -1.547 1.00 34.31 C ATOM 1941 CG2 ILE A 126 0.214 22.596 -1.123 1.00 43.11 C ATOM 1942 CD1 ILE A 126 2.017 25.022 -0.545 1.00 11.11 C ATOM 0 H ILE A 126 1.542 24.109 -4.494 1.00 13.22 H new ATOM 0 HA ILE A 126 2.300 21.813 -3.043 1.00 62.23 H new ATOM 0 HB ILE A 126 0.434 24.142 -2.576 1.00 1.34 H new ATOM 0 HG12 ILE A 126 2.862 23.131 -1.055 1.00 34.31 H new ATOM 0 HG13 ILE A 126 2.935 24.322 -2.339 1.00 34.31 H new ATOM 0 HG21 ILE A 126 -0.041 23.283 -0.316 1.00 43.11 H new ATOM 0 HG22 ILE A 126 -0.700 22.215 -1.578 1.00 43.11 H new ATOM 0 HG23 ILE A 126 0.793 21.764 -0.721 1.00 43.11 H new ATOM 0 HD11 ILE A 126 2.957 25.398 -0.142 1.00 11.11 H new ATOM 0 HD12 ILE A 126 1.482 25.834 -1.036 1.00 11.11 H new ATOM 0 HD13 ILE A 126 1.408 24.625 0.267 1.00 11.11 H new ATOM 1954 N GLY A 127 -0.661 21.793 -4.445 1.00 30.43 N ATOM 1955 CA GLY A 127 -1.801 20.947 -4.748 1.00 12.52 C ATOM 1956 C GLY A 127 -1.391 19.551 -5.172 1.00 54.24 C ATOM 1957 O GLY A 127 -1.902 18.561 -4.649 1.00 51.43 O ATOM 0 H GLY A 127 -0.633 22.675 -4.956 1.00 30.43 H new ATOM 0 HA2 GLY A 127 -2.445 20.882 -3.871 1.00 12.52 H new ATOM 0 HA3 GLY A 127 -2.389 21.406 -5.542 1.00 12.52 H new ATOM 1961 N MET A 128 -0.468 19.471 -6.125 1.00 1.22 N ATOM 1962 CA MET A 128 0.010 18.185 -6.620 1.00 15.23 C ATOM 1963 C MET A 128 1.045 17.588 -5.672 1.00 2.50 C ATOM 1964 O MET A 128 1.302 16.384 -5.695 1.00 54.53 O ATOM 1965 CB MET A 128 0.612 18.344 -8.017 1.00 75.12 C ATOM 1966 CG MET A 128 1.878 19.184 -8.041 1.00 52.55 C ATOM 1967 SD MET A 128 2.437 19.550 -9.716 1.00 61.43 S ATOM 1968 CE MET A 128 1.378 20.932 -10.133 1.00 54.22 C ATOM 0 H MET A 128 -0.036 20.281 -6.570 1.00 1.22 H new ATOM 0 HA MET A 128 -0.841 17.506 -6.674 1.00 15.23 H new ATOM 0 HB2 MET A 128 0.833 17.357 -8.423 1.00 75.12 H new ATOM 0 HB3 MET A 128 -0.129 18.800 -8.673 1.00 75.12 H new ATOM 0 HG2 MET A 128 1.699 20.119 -7.509 1.00 52.55 H new ATOM 0 HG3 MET A 128 2.668 18.658 -7.505 1.00 52.55 H new ATOM 0 HE1 MET A 128 1.629 21.295 -11.130 1.00 54.22 H new ATOM 0 HE2 MET A 128 0.337 20.611 -10.115 1.00 54.22 H new ATOM 0 HE3 MET A 128 1.523 21.733 -9.408 1.00 54.22 H new ATOM 1978 N PHE A 129 1.638 18.438 -4.839 1.00 73.04 N ATOM 1979 CA PHE A 129 2.647 17.994 -3.885 1.00 13.35 C ATOM 1980 C PHE A 129 1.994 17.388 -2.646 1.00 32.31 C ATOM 1981 O PHE A 129 2.645 16.693 -1.864 1.00 54.10 O ATOM 1982 CB PHE A 129 3.546 19.164 -3.480 1.00 12.32 C ATOM 1983 CG PHE A 129 4.811 18.738 -2.791 1.00 72.04 C ATOM 1984 CD1 PHE A 129 5.853 18.178 -3.513 1.00 34.52 C ATOM 1985 CD2 PHE A 129 4.958 18.898 -1.423 1.00 44.11 C ATOM 1986 CE1 PHE A 129 7.017 17.784 -2.882 1.00 23.34 C ATOM 1987 CE2 PHE A 129 6.121 18.507 -0.786 1.00 61.54 C ATOM 1988 CZ PHE A 129 7.152 17.950 -1.517 1.00 23.50 C ATOM 0 H PHE A 129 1.437 19.437 -4.806 1.00 73.04 H new ATOM 0 HA PHE A 129 3.254 17.228 -4.367 1.00 13.35 H new ATOM 0 HB2 PHE A 129 3.802 19.740 -4.369 1.00 12.32 H new ATOM 0 HB3 PHE A 129 2.988 19.829 -2.820 1.00 12.32 H new ATOM 0 HD1 PHE A 129 5.754 18.048 -4.581 1.00 34.52 H new ATOM 0 HD2 PHE A 129 4.155 19.333 -0.847 1.00 44.11 H new ATOM 0 HE1 PHE A 129 7.821 17.347 -3.455 1.00 23.34 H new ATOM 0 HE2 PHE A 129 6.223 18.637 0.281 1.00 61.54 H new ATOM 0 HZ PHE A 129 8.062 17.645 -1.022 1.00 23.50 H new ATOM 1998 N LEU A 130 0.704 17.656 -2.473 1.00 62.52 N ATOM 1999 CA LEU A 130 -0.038 17.137 -1.330 1.00 14.25 C ATOM 2000 C LEU A 130 -0.558 15.731 -1.610 1.00 33.21 C ATOM 2001 O LEU A 130 -1.227 15.128 -0.771 1.00 24.22 O ATOM 2002 CB LEU A 130 -1.205 18.066 -0.990 1.00 52.45 C ATOM 2003 CG LEU A 130 -1.181 18.693 0.404 1.00 21.01 C ATOM 2004 CD1 LEU A 130 -2.456 19.483 0.657 1.00 62.32 C ATOM 2005 CD2 LEU A 130 -0.996 17.620 1.468 1.00 53.34 C ATOM 0 H LEU A 130 0.151 18.230 -3.110 1.00 62.52 H new ATOM 0 HA LEU A 130 0.641 17.090 -0.479 1.00 14.25 H new ATOM 0 HB2 LEU A 130 -1.230 18.869 -1.727 1.00 52.45 H new ATOM 0 HB3 LEU A 130 -2.133 17.505 -1.098 1.00 52.45 H new ATOM 0 HG LEU A 130 -0.336 19.380 0.458 1.00 21.01 H new ATOM 0 HD11 LEU A 130 -2.420 19.922 1.654 1.00 62.32 H new ATOM 0 HD12 LEU A 130 -2.546 20.276 -0.085 1.00 62.32 H new ATOM 0 HD13 LEU A 130 -3.317 18.818 0.584 1.00 62.32 H new ATOM 0 HD21 LEU A 130 -0.981 18.084 2.454 1.00 53.34 H new ATOM 0 HD22 LEU A 130 -1.820 16.908 1.414 1.00 53.34 H new ATOM 0 HD23 LEU A 130 -0.054 17.098 1.299 1.00 53.34 H new