USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 72 TYR OH : rot 180:sc= -0.149 USER MOD Set 1.2: B 1 LYS NZ :NH3+ -171:sc= 0.105 (180deg=0) USER MOD Set 2.1: A 29 CYS SG : rot -140:sc= -0.112 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -104:sc= 0.493 (180deg=-0.758) USER MOD Single : A 6 THR OG1 : rot 119:sc= 0.665 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 10:sc= 0.0247 USER MOD Single : A 25 ASN : amide:sc= -0.344 K(o=-0.34,f=-2!) USER MOD Single : A 27 SER OG : rot 50:sc= 0.112 USER MOD Single : A 31 HIS : no HD1:sc= -5.45! C(o=-5.5!,f=-8.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -0.157 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -171:sc= -3.46 (180deg=-3.96) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0279 F(o=-0.77,f=-0.028) USER MOD Single : A 78 MET CE :methyl -163:sc= -2 (180deg=-3.04) USER MOD Single : A 79 LYS NZ :NH3+ 134:sc= 0.254 (180deg=-0.866) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 0.00383 (180deg=0.00131) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 91 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.23) USER MOD Single : A 93 LYS NZ :NH3+ -138:sc= 1.24 (180deg=-1.08) USER MOD Single : A 95 GLN : amide:sc= -0.985 K(o=-0.99,f=-3.6!) USER MOD Single : A 96 THR OG1 : rot -87:sc= 0.733 USER MOD Single : B -4 SER OG : rot -39:sc= 0.826 USER MOD Single : B -7 PHE N :NH3+ 167:sc= 0.412 (180deg=0.297) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 7.028 -7.278 -7.086 1.00 5.34 N ATOM 43 CA LEU A 2 8.453 -7.179 -6.788 1.00 63.50 C ATOM 44 C LEU A 2 9.162 -8.499 -7.075 1.00 72.43 C ATOM 45 O LEU A 2 8.777 -9.548 -6.557 1.00 62.14 O ATOM 46 CB LEU A 2 8.663 -6.783 -5.326 1.00 12.24 C ATOM 47 CG LEU A 2 9.893 -5.923 -5.033 1.00 22.51 C ATOM 48 CD1 LEU A 2 11.121 -6.497 -5.723 1.00 41.21 C ATOM 49 CD2 LEU A 2 9.656 -4.485 -5.471 1.00 32.54 C ATOM 0 HA LEU A 2 8.880 -6.410 -7.431 1.00 63.50 H new ATOM 0 HB2 LEU A 2 7.779 -6.244 -4.986 1.00 12.24 H new ATOM 0 HB3 LEU A 2 8.731 -7.693 -4.730 1.00 12.24 H new ATOM 0 HG LEU A 2 10.069 -5.929 -3.957 1.00 22.51 H new ATOM 0 HD11 LEU A 2 11.987 -5.872 -5.504 1.00 41.21 H new ATOM 0 HD12 LEU A 2 11.302 -7.509 -5.361 1.00 41.21 H new ATOM 0 HD13 LEU A 2 10.955 -6.522 -6.800 1.00 41.21 H new ATOM 0 HD21 LEU A 2 10.542 -3.888 -5.255 1.00 32.54 H new ATOM 0 HD22 LEU A 2 9.454 -4.459 -6.542 1.00 32.54 H new ATOM 0 HD23 LEU A 2 8.802 -4.076 -4.931 1.00 32.54 H new ATOM 61 N PHE A 3 10.200 -8.440 -7.903 1.00 1.24 N ATOM 62 CA PHE A 3 10.964 -9.630 -8.258 1.00 32.21 C ATOM 63 C PHE A 3 12.455 -9.316 -8.336 1.00 20.41 C ATOM 64 O PHE A 3 12.854 -8.264 -8.834 1.00 75.22 O ATOM 65 CB PHE A 3 10.479 -10.193 -9.596 1.00 12.44 C ATOM 66 CG PHE A 3 9.112 -10.812 -9.525 1.00 40.45 C ATOM 67 CD1 PHE A 3 7.975 -10.022 -9.584 1.00 4.50 C ATOM 68 CD2 PHE A 3 8.964 -12.184 -9.400 1.00 40.45 C ATOM 69 CE1 PHE A 3 6.716 -10.588 -9.520 1.00 41.11 C ATOM 70 CE2 PHE A 3 7.708 -12.756 -9.337 1.00 15.44 C ATOM 71 CZ PHE A 3 6.582 -11.957 -9.395 1.00 42.32 C ATOM 0 H PHE A 3 10.531 -7.580 -8.341 1.00 1.24 H new ATOM 0 HA PHE A 3 10.808 -10.377 -7.479 1.00 32.21 H new ATOM 0 HB2 PHE A 3 10.469 -9.393 -10.336 1.00 12.44 H new ATOM 0 HB3 PHE A 3 11.190 -10.941 -9.946 1.00 12.44 H new ATOM 0 HD1 PHE A 3 8.074 -8.951 -9.681 1.00 4.50 H new ATOM 0 HD2 PHE A 3 9.840 -12.813 -9.351 1.00 40.45 H new ATOM 0 HE1 PHE A 3 5.838 -9.961 -9.568 1.00 41.11 H new ATOM 0 HE2 PHE A 3 7.606 -13.827 -9.242 1.00 15.44 H new ATOM 0 HZ PHE A 3 5.599 -12.402 -9.343 1.00 42.32 H new ATOM 81 N ALA A 4 13.274 -10.238 -7.839 1.00 41.51 N ATOM 82 CA ALA A 4 14.721 -10.061 -7.853 1.00 51.14 C ATOM 83 C ALA A 4 15.416 -11.271 -8.468 1.00 32.32 C ATOM 84 O ALA A 4 14.845 -12.360 -8.533 1.00 64.30 O ATOM 85 CB ALA A 4 15.236 -9.813 -6.443 1.00 64.34 C ATOM 0 H ALA A 4 12.960 -11.114 -7.422 1.00 41.51 H new ATOM 0 HA ALA A 4 14.950 -9.192 -8.469 1.00 51.14 H new ATOM 0 HB1 ALA A 4 16.318 -9.683 -6.468 1.00 64.34 H new ATOM 0 HB2 ALA A 4 14.772 -8.913 -6.039 1.00 64.34 H new ATOM 0 HB3 ALA A 4 14.988 -10.665 -5.810 1.00 64.34 H new ATOM 91 N VAL A 5 16.651 -11.074 -8.918 1.00 53.41 N ATOM 92 CA VAL A 5 17.424 -12.149 -9.527 1.00 73.32 C ATOM 93 C VAL A 5 18.793 -12.283 -8.870 1.00 12.41 C ATOM 94 O VAL A 5 19.585 -11.340 -8.862 1.00 43.03 O ATOM 95 CB VAL A 5 17.612 -11.919 -11.038 1.00 42.14 C ATOM 96 CG1 VAL A 5 18.238 -10.557 -11.297 1.00 41.10 C ATOM 97 CG2 VAL A 5 18.459 -13.028 -11.644 1.00 42.34 C ATOM 0 H VAL A 5 17.138 -10.179 -8.872 1.00 53.41 H new ATOM 0 HA VAL A 5 16.860 -13.069 -9.375 1.00 73.32 H new ATOM 0 HB VAL A 5 16.632 -11.939 -11.516 1.00 42.14 H new ATOM 0 HG11 VAL A 5 18.363 -10.412 -12.370 1.00 41.10 H new ATOM 0 HG12 VAL A 5 17.589 -9.777 -10.899 1.00 41.10 H new ATOM 0 HG13 VAL A 5 19.211 -10.505 -10.808 1.00 41.10 H new ATOM 0 HG21 VAL A 5 18.582 -12.850 -12.712 1.00 42.34 H new ATOM 0 HG22 VAL A 5 19.437 -13.042 -11.164 1.00 42.34 H new ATOM 0 HG23 VAL A 5 17.966 -13.988 -11.491 1.00 42.34 H new ATOM 107 N THR A 6 19.066 -13.461 -8.318 1.00 41.10 N ATOM 108 CA THR A 6 20.339 -13.718 -7.657 1.00 63.42 C ATOM 109 C THR A 6 21.500 -13.614 -8.640 1.00 71.20 C ATOM 110 O THR A 6 21.484 -14.236 -9.703 1.00 25.40 O ATOM 111 CB THR A 6 20.360 -15.112 -7.002 1.00 22.15 C ATOM 112 OG1 THR A 6 19.344 -15.940 -7.578 1.00 50.01 O ATOM 113 CG2 THR A 6 20.144 -15.007 -5.499 1.00 51.24 C ATOM 0 H THR A 6 18.422 -14.252 -8.316 1.00 41.10 H new ATOM 0 HA THR A 6 20.452 -12.959 -6.883 1.00 63.42 H new ATOM 0 HB THR A 6 21.338 -15.559 -7.183 1.00 22.15 H new ATOM 0 HG1 THR A 6 19.759 -16.719 -8.003 1.00 50.01 H new ATOM 0 HG21 THR A 6 20.163 -16.004 -5.058 1.00 51.24 H new ATOM 0 HG22 THR A 6 20.936 -14.401 -5.059 1.00 51.24 H new ATOM 0 HG23 THR A 6 19.178 -14.541 -5.302 1.00 51.24 H new ATOM 121 N LEU A 7 22.506 -12.825 -8.279 1.00 34.11 N ATOM 122 CA LEU A 7 23.676 -12.640 -9.129 1.00 63.05 C ATOM 123 C LEU A 7 24.850 -13.475 -8.629 1.00 64.52 C ATOM 124 O LEU A 7 25.826 -13.687 -9.349 1.00 45.14 O ATOM 125 CB LEU A 7 24.070 -11.163 -9.175 1.00 13.51 C ATOM 126 CG LEU A 7 23.005 -10.200 -9.703 1.00 32.45 C ATOM 127 CD1 LEU A 7 23.352 -8.766 -9.335 1.00 21.10 C ATOM 128 CD2 LEU A 7 22.855 -10.345 -11.210 1.00 31.21 C ATOM 0 H LEU A 7 22.535 -12.303 -7.403 1.00 34.11 H new ATOM 0 HA LEU A 7 23.419 -12.973 -10.135 1.00 63.05 H new ATOM 0 HB2 LEU A 7 24.347 -10.850 -8.168 1.00 13.51 H new ATOM 0 HB3 LEU A 7 24.960 -11.064 -9.796 1.00 13.51 H new ATOM 0 HG LEU A 7 22.052 -10.452 -9.237 1.00 32.45 H new ATOM 0 HD11 LEU A 7 22.583 -8.096 -9.719 1.00 21.10 H new ATOM 0 HD12 LEU A 7 23.407 -8.672 -8.250 1.00 21.10 H new ATOM 0 HD13 LEU A 7 24.315 -8.501 -9.771 1.00 21.10 H new ATOM 0 HD21 LEU A 7 22.093 -9.652 -11.568 1.00 31.21 H new ATOM 0 HD22 LEU A 7 23.806 -10.121 -11.694 1.00 31.21 H new ATOM 0 HD23 LEU A 7 22.558 -11.366 -11.450 1.00 31.21 H new ATOM 140 N TYR A 8 24.748 -13.949 -7.393 1.00 31.54 N ATOM 141 CA TYR A 8 25.801 -14.762 -6.796 1.00 3.02 C ATOM 142 C TYR A 8 25.211 -15.941 -6.029 1.00 21.42 C ATOM 143 O TYR A 8 24.051 -15.911 -5.619 1.00 42.31 O ATOM 144 CB TYR A 8 26.663 -13.911 -5.861 1.00 72.21 C ATOM 145 CG TYR A 8 27.104 -12.599 -6.470 1.00 75.54 C ATOM 146 CD1 TYR A 8 26.268 -11.489 -6.458 1.00 62.41 C ATOM 147 CD2 TYR A 8 28.356 -12.470 -7.058 1.00 22.12 C ATOM 148 CE1 TYR A 8 26.667 -10.289 -7.014 1.00 74.43 C ATOM 149 CE2 TYR A 8 28.764 -11.273 -7.615 1.00 74.51 C ATOM 150 CZ TYR A 8 27.915 -10.186 -7.591 1.00 61.34 C ATOM 151 OH TYR A 8 28.316 -8.992 -8.145 1.00 63.23 O ATOM 0 H TYR A 8 23.946 -13.784 -6.784 1.00 31.54 H new ATOM 0 HA TYR A 8 26.424 -15.151 -7.601 1.00 3.02 H new ATOM 0 HB2 TYR A 8 26.103 -13.708 -4.948 1.00 72.21 H new ATOM 0 HB3 TYR A 8 27.545 -14.483 -5.573 1.00 72.21 H new ATOM 0 HD1 TYR A 8 25.290 -11.566 -6.006 1.00 62.41 H new ATOM 0 HD2 TYR A 8 29.022 -13.320 -7.080 1.00 22.12 H new ATOM 0 HE1 TYR A 8 26.005 -9.436 -6.997 1.00 74.43 H new ATOM 0 HE2 TYR A 8 29.742 -11.189 -8.066 1.00 74.51 H new ATOM 0 HH TYR A 8 27.887 -8.250 -7.670 1.00 63.23 H new ATOM 161 N GLU A 9 26.020 -16.979 -5.839 1.00 34.44 N ATOM 162 CA GLU A 9 25.578 -18.169 -5.121 1.00 72.40 C ATOM 163 C GLU A 9 25.633 -17.947 -3.612 1.00 41.13 C ATOM 164 O GLU A 9 26.708 -17.945 -3.013 1.00 24.22 O ATOM 165 CB GLU A 9 26.443 -19.372 -5.502 1.00 61.52 C ATOM 166 CG GLU A 9 26.165 -20.611 -4.667 1.00 5.12 C ATOM 167 CD GLU A 9 26.272 -21.893 -5.470 1.00 50.52 C ATOM 168 OE1 GLU A 9 27.336 -22.123 -6.082 1.00 31.53 O ATOM 169 OE2 GLU A 9 25.291 -22.665 -5.487 1.00 15.21 O ATOM 0 H GLU A 9 26.983 -17.020 -6.172 1.00 34.44 H new ATOM 0 HA GLU A 9 24.544 -18.369 -5.404 1.00 72.40 H new ATOM 0 HB2 GLU A 9 26.279 -19.608 -6.553 1.00 61.52 H new ATOM 0 HB3 GLU A 9 27.494 -19.101 -5.396 1.00 61.52 H new ATOM 0 HG2 GLU A 9 26.868 -20.649 -3.835 1.00 5.12 H new ATOM 0 HG3 GLU A 9 25.166 -20.538 -4.238 1.00 5.12 H new ATOM 176 N PHE A 10 24.466 -17.759 -3.005 1.00 2.21 N ATOM 177 CA PHE A 10 24.381 -17.534 -1.567 1.00 14.44 C ATOM 178 C PHE A 10 24.146 -18.846 -0.824 1.00 13.53 C ATOM 179 O PHE A 10 23.025 -19.353 -0.775 1.00 10.13 O ATOM 180 CB PHE A 10 23.255 -16.546 -1.250 1.00 24.43 C ATOM 181 CG PHE A 10 23.223 -16.116 0.189 1.00 30.10 C ATOM 182 CD1 PHE A 10 24.098 -15.149 0.656 1.00 11.34 C ATOM 183 CD2 PHE A 10 22.317 -16.679 1.074 1.00 43.31 C ATOM 184 CE1 PHE A 10 24.071 -14.752 1.980 1.00 54.41 C ATOM 185 CE2 PHE A 10 22.285 -16.285 2.399 1.00 61.34 C ATOM 186 CZ PHE A 10 23.162 -15.320 2.852 1.00 43.32 C ATOM 0 H PHE A 10 23.567 -17.758 -3.486 1.00 2.21 H new ATOM 0 HA PHE A 10 25.329 -17.113 -1.233 1.00 14.44 H new ATOM 0 HB2 PHE A 10 23.367 -15.665 -1.882 1.00 24.43 H new ATOM 0 HB3 PHE A 10 22.299 -17.003 -1.506 1.00 24.43 H new ATOM 0 HD1 PHE A 10 24.809 -14.700 -0.022 1.00 11.34 H new ATOM 0 HD2 PHE A 10 21.628 -17.434 0.725 1.00 43.31 H new ATOM 0 HE1 PHE A 10 24.760 -13.999 2.332 1.00 54.41 H new ATOM 0 HE2 PHE A 10 21.575 -16.732 3.079 1.00 61.34 H new ATOM 0 HZ PHE A 10 23.138 -15.010 3.886 1.00 43.32 H new ATOM 196 N LYS A 11 25.211 -19.391 -0.247 1.00 2.43 N ATOM 197 CA LYS A 11 25.124 -20.643 0.495 1.00 53.11 C ATOM 198 C LYS A 11 24.563 -20.409 1.894 1.00 51.21 C ATOM 199 O LYS A 11 25.125 -19.644 2.678 1.00 75.50 O ATOM 200 CB LYS A 11 26.502 -21.301 0.590 1.00 42.30 C ATOM 201 CG LYS A 11 27.192 -21.464 -0.753 1.00 62.02 C ATOM 202 CD LYS A 11 28.186 -20.343 -1.010 1.00 34.31 C ATOM 203 CE LYS A 11 29.303 -20.791 -1.940 1.00 12.10 C ATOM 204 NZ LYS A 11 30.468 -21.333 -1.187 1.00 75.21 N ATOM 0 H LYS A 11 26.146 -18.985 -0.279 1.00 2.43 H new ATOM 0 HA LYS A 11 24.447 -21.308 -0.042 1.00 53.11 H new ATOM 0 HB2 LYS A 11 27.136 -20.703 1.245 1.00 42.30 H new ATOM 0 HB3 LYS A 11 26.396 -22.281 1.056 1.00 42.30 H new ATOM 0 HG2 LYS A 11 27.709 -22.423 -0.783 1.00 62.02 H new ATOM 0 HG3 LYS A 11 26.445 -21.479 -1.547 1.00 62.02 H new ATOM 0 HD2 LYS A 11 27.668 -19.489 -1.447 1.00 34.31 H new ATOM 0 HD3 LYS A 11 28.611 -20.008 -0.064 1.00 34.31 H new ATOM 0 HE2 LYS A 11 28.925 -21.553 -2.621 1.00 12.10 H new ATOM 0 HE3 LYS A 11 29.626 -19.949 -2.552 1.00 12.10 H new ATOM 0 HZ1 LYS A 11 31.208 -21.627 -1.856 1.00 75.21 H new ATOM 0 HZ2 LYS A 11 30.845 -20.598 -0.555 1.00 75.21 H new ATOM 0 HZ3 LYS A 11 30.166 -22.153 -0.623 1.00 75.21 H new ATOM 218 N ALA A 12 23.453 -21.073 2.200 1.00 1.34 N ATOM 219 CA ALA A 12 22.819 -20.939 3.506 1.00 20.11 C ATOM 220 C ALA A 12 23.679 -21.562 4.600 1.00 30.43 C ATOM 221 O ALA A 12 24.371 -22.553 4.369 1.00 61.11 O ATOM 222 CB ALA A 12 21.438 -21.577 3.490 1.00 71.32 C ATOM 0 H ALA A 12 22.975 -21.709 1.562 1.00 1.34 H new ATOM 0 HA ALA A 12 22.714 -19.876 3.724 1.00 20.11 H new ATOM 0 HB1 ALA A 12 20.976 -21.470 4.471 1.00 71.32 H new ATOM 0 HB2 ALA A 12 20.818 -21.084 2.741 1.00 71.32 H new ATOM 0 HB3 ALA A 12 21.529 -22.635 3.246 1.00 71.32 H new ATOM 228 N GLU A 13 23.630 -20.975 5.792 1.00 43.32 N ATOM 229 CA GLU A 13 24.407 -21.473 6.921 1.00 40.12 C ATOM 230 C GLU A 13 23.490 -21.957 8.040 1.00 22.25 C ATOM 231 O GLU A 13 23.864 -22.822 8.833 1.00 61.11 O ATOM 232 CB GLU A 13 25.341 -20.381 7.448 1.00 74.04 C ATOM 233 CG GLU A 13 24.650 -19.047 7.676 1.00 75.22 C ATOM 234 CD GLU A 13 25.622 -17.939 8.030 1.00 63.21 C ATOM 235 OE1 GLU A 13 26.391 -18.111 8.999 1.00 62.05 O ATOM 236 OE2 GLU A 13 25.614 -16.900 7.337 1.00 3.13 O ATOM 0 H GLU A 13 23.061 -20.155 6.001 1.00 43.32 H new ATOM 0 HA GLU A 13 25.005 -22.316 6.574 1.00 40.12 H new ATOM 0 HB2 GLU A 13 25.785 -20.716 8.386 1.00 74.04 H new ATOM 0 HB3 GLU A 13 26.158 -20.241 6.740 1.00 74.04 H new ATOM 0 HG2 GLU A 13 24.100 -18.769 6.777 1.00 75.22 H new ATOM 0 HG3 GLU A 13 23.919 -19.153 8.477 1.00 75.22 H new ATOM 243 N ARG A 14 22.289 -21.393 8.099 1.00 15.31 N ATOM 244 CA ARG A 14 21.319 -21.765 9.122 1.00 54.10 C ATOM 245 C ARG A 14 20.005 -22.212 8.488 1.00 33.42 C ATOM 246 O ARG A 14 19.858 -22.202 7.266 1.00 64.32 O ATOM 247 CB ARG A 14 21.067 -20.589 10.068 1.00 74.41 C ATOM 248 CG ARG A 14 22.273 -20.220 10.916 1.00 70.52 C ATOM 249 CD ARG A 14 22.524 -21.251 12.006 1.00 52.22 C ATOM 250 NE ARG A 14 23.152 -20.659 13.184 1.00 65.22 N ATOM 251 CZ ARG A 14 23.451 -21.346 14.281 1.00 70.53 C ATOM 252 NH1 ARG A 14 23.180 -22.642 14.349 1.00 32.53 N ATOM 253 NH2 ARG A 14 24.022 -20.737 15.312 1.00 64.42 N ATOM 0 H ARG A 14 21.964 -20.676 7.450 1.00 15.31 H new ATOM 0 HA ARG A 14 21.730 -22.599 9.691 1.00 54.10 H new ATOM 0 HB2 ARG A 14 20.766 -19.720 9.482 1.00 74.41 H new ATOM 0 HB3 ARG A 14 20.233 -20.835 10.725 1.00 74.41 H new ATOM 0 HG2 ARG A 14 23.155 -20.139 10.281 1.00 70.52 H new ATOM 0 HG3 ARG A 14 22.115 -19.241 11.369 1.00 70.52 H new ATOM 0 HD2 ARG A 14 21.579 -21.713 12.292 1.00 52.22 H new ATOM 0 HD3 ARG A 14 23.161 -22.044 11.615 1.00 52.22 H new ATOM 0 HE ARG A 14 23.373 -19.663 13.163 1.00 65.22 H new ATOM 0 HH11 ARG A 14 22.741 -23.113 13.558 1.00 32.53 H new ATOM 0 HH12 ARG A 14 23.410 -23.168 15.192 1.00 32.53 H new ATOM 0 HH21 ARG A 14 24.232 -19.740 15.263 1.00 64.42 H new ATOM 0 HH22 ARG A 14 24.251 -21.266 16.154 1.00 64.42 H new ATOM 267 N ASP A 15 19.053 -22.605 9.327 1.00 14.24 N ATOM 268 CA ASP A 15 17.751 -23.056 8.850 1.00 54.52 C ATOM 269 C ASP A 15 16.960 -21.896 8.252 1.00 71.01 C ATOM 270 O ASP A 15 16.104 -22.095 7.389 1.00 1.45 O ATOM 271 CB ASP A 15 16.958 -23.695 9.991 1.00 1.43 C ATOM 272 CG ASP A 15 15.537 -24.035 9.589 1.00 34.43 C ATOM 273 OD1 ASP A 15 15.362 -24.863 8.671 1.00 45.35 O ATOM 274 OD2 ASP A 15 14.598 -23.474 10.193 1.00 22.20 O ATOM 0 H ASP A 15 19.159 -22.620 10.341 1.00 14.24 H new ATOM 0 HA ASP A 15 17.915 -23.801 8.071 1.00 54.52 H new ATOM 0 HB2 ASP A 15 17.466 -24.602 10.320 1.00 1.43 H new ATOM 0 HB3 ASP A 15 16.939 -23.014 10.842 1.00 1.43 H new ATOM 279 N ASP A 16 17.251 -20.686 8.717 1.00 65.25 N ATOM 280 CA ASP A 16 16.568 -19.494 8.228 1.00 71.31 C ATOM 281 C ASP A 16 17.109 -19.078 6.864 1.00 72.55 C ATOM 282 O ASP A 16 16.380 -18.531 6.037 1.00 13.24 O ATOM 283 CB ASP A 16 16.726 -18.345 9.225 1.00 73.12 C ATOM 284 CG ASP A 16 18.160 -18.170 9.685 1.00 73.44 C ATOM 285 OD1 ASP A 16 18.906 -17.417 9.026 1.00 40.14 O ATOM 286 OD2 ASP A 16 18.536 -18.788 10.703 1.00 1.10 O ATOM 0 H ASP A 16 17.955 -20.505 9.432 1.00 65.25 H new ATOM 0 HA ASP A 16 15.509 -19.730 8.122 1.00 71.31 H new ATOM 0 HB2 ASP A 16 16.379 -17.419 8.766 1.00 73.12 H new ATOM 0 HB3 ASP A 16 16.090 -18.529 10.091 1.00 73.12 H new ATOM 291 N GLU A 17 18.392 -19.342 6.636 1.00 52.22 N ATOM 292 CA GLU A 17 19.030 -18.993 5.372 1.00 0.31 C ATOM 293 C GLU A 17 18.593 -19.943 4.261 1.00 23.41 C ATOM 294 O GLU A 17 18.314 -21.118 4.507 1.00 3.32 O ATOM 295 CB GLU A 17 20.553 -19.026 5.518 1.00 72.42 C ATOM 296 CG GLU A 17 21.096 -17.982 6.479 1.00 54.15 C ATOM 297 CD GLU A 17 21.366 -16.652 5.802 1.00 12.24 C ATOM 298 OE1 GLU A 17 20.402 -16.030 5.308 1.00 63.53 O ATOM 299 OE2 GLU A 17 22.542 -16.232 5.768 1.00 33.35 O ATOM 0 H GLU A 17 19.009 -19.796 7.309 1.00 52.22 H new ATOM 0 HA GLU A 17 18.720 -17.983 5.104 1.00 0.31 H new ATOM 0 HB2 GLU A 17 20.855 -20.015 5.861 1.00 72.42 H new ATOM 0 HB3 GLU A 17 21.007 -18.876 4.538 1.00 72.42 H new ATOM 0 HG2 GLU A 17 20.383 -17.835 7.290 1.00 54.15 H new ATOM 0 HG3 GLU A 17 22.018 -18.351 6.928 1.00 54.15 H new ATOM 306 N LEU A 18 18.536 -19.428 3.038 1.00 13.22 N ATOM 307 CA LEU A 18 18.132 -20.229 1.888 1.00 24.51 C ATOM 308 C LEU A 18 19.221 -20.236 0.820 1.00 42.51 C ATOM 309 O LEU A 18 19.787 -19.193 0.491 1.00 65.14 O ATOM 310 CB LEU A 18 16.827 -19.692 1.299 1.00 1.31 C ATOM 311 CG LEU A 18 16.051 -20.653 0.398 1.00 43.34 C ATOM 312 CD1 LEU A 18 15.133 -21.538 1.226 1.00 11.40 C ATOM 313 CD2 LEU A 18 15.254 -19.881 -0.644 1.00 4.10 C ATOM 0 H LEU A 18 18.765 -18.459 2.817 1.00 13.22 H new ATOM 0 HA LEU A 18 17.975 -21.253 2.227 1.00 24.51 H new ATOM 0 HB2 LEU A 18 16.177 -19.392 2.121 1.00 1.31 H new ATOM 0 HB3 LEU A 18 17.053 -18.792 0.727 1.00 1.31 H new ATOM 0 HG LEU A 18 16.766 -21.292 -0.120 1.00 43.34 H new ATOM 0 HD11 LEU A 18 14.589 -22.215 0.567 1.00 11.40 H new ATOM 0 HD12 LEU A 18 15.727 -22.118 1.932 1.00 11.40 H new ATOM 0 HD13 LEU A 18 14.424 -20.916 1.773 1.00 11.40 H new ATOM 0 HD21 LEU A 18 14.708 -20.581 -1.276 1.00 4.10 H new ATOM 0 HD22 LEU A 18 14.549 -19.217 -0.144 1.00 4.10 H new ATOM 0 HD23 LEU A 18 15.934 -19.291 -1.259 1.00 4.10 H new ATOM 325 N ASP A 19 19.507 -21.416 0.281 1.00 4.51 N ATOM 326 CA ASP A 19 20.526 -21.557 -0.753 1.00 20.11 C ATOM 327 C ASP A 19 19.973 -21.160 -2.118 1.00 63.12 C ATOM 328 O ASP A 19 18.886 -21.587 -2.508 1.00 24.22 O ATOM 329 CB ASP A 19 21.042 -22.996 -0.797 1.00 21.24 C ATOM 330 CG ASP A 19 20.045 -23.950 -1.425 1.00 22.01 C ATOM 331 OD1 ASP A 19 18.865 -23.925 -1.019 1.00 75.34 O ATOM 332 OD2 ASP A 19 20.446 -24.722 -2.322 1.00 12.25 O ATOM 0 H ASP A 19 19.048 -22.288 0.543 1.00 4.51 H new ATOM 0 HA ASP A 19 21.353 -20.890 -0.508 1.00 20.11 H new ATOM 0 HB2 ASP A 19 21.975 -23.027 -1.360 1.00 21.24 H new ATOM 0 HB3 ASP A 19 21.270 -23.328 0.216 1.00 21.24 H new ATOM 337 N VAL A 20 20.729 -20.339 -2.841 1.00 32.11 N ATOM 338 CA VAL A 20 20.315 -19.884 -4.163 1.00 11.03 C ATOM 339 C VAL A 20 21.517 -19.701 -5.082 1.00 60.34 C ATOM 340 O VAL A 20 22.604 -19.335 -4.635 1.00 53.12 O ATOM 341 CB VAL A 20 19.538 -18.556 -4.082 1.00 21.54 C ATOM 342 CG1 VAL A 20 20.408 -17.465 -3.477 1.00 51.32 C ATOM 343 CG2 VAL A 20 19.036 -18.148 -5.458 1.00 71.53 C ATOM 0 H VAL A 20 21.631 -19.976 -2.533 1.00 32.11 H new ATOM 0 HA VAL A 20 19.662 -20.654 -4.573 1.00 11.03 H new ATOM 0 HB VAL A 20 18.674 -18.699 -3.434 1.00 21.54 H new ATOM 0 HG11 VAL A 20 19.843 -16.534 -3.428 1.00 51.32 H new ATOM 0 HG12 VAL A 20 20.713 -17.758 -2.472 1.00 51.32 H new ATOM 0 HG13 VAL A 20 21.293 -17.320 -4.097 1.00 51.32 H new ATOM 0 HG21 VAL A 20 18.489 -17.208 -5.382 1.00 71.53 H new ATOM 0 HG22 VAL A 20 19.883 -18.022 -6.132 1.00 71.53 H new ATOM 0 HG23 VAL A 20 18.375 -18.922 -5.848 1.00 71.53 H new ATOM 353 N SER A 21 21.314 -19.959 -6.371 1.00 3.15 N ATOM 354 CA SER A 21 22.383 -19.826 -7.354 1.00 73.20 C ATOM 355 C SER A 21 22.157 -18.605 -8.240 1.00 11.31 C ATOM 356 O SER A 21 21.048 -18.082 -8.349 1.00 13.40 O ATOM 357 CB SER A 21 22.470 -21.087 -8.217 1.00 1.34 C ATOM 358 OG SER A 21 23.396 -22.012 -7.675 1.00 25.23 O ATOM 0 H SER A 21 20.420 -20.261 -6.758 1.00 3.15 H new ATOM 0 HA SER A 21 23.323 -19.695 -6.817 1.00 73.20 H new ATOM 0 HB2 SER A 21 21.486 -21.551 -8.288 1.00 1.34 H new ATOM 0 HB3 SER A 21 22.770 -20.818 -9.230 1.00 1.34 H new ATOM 0 HG SER A 21 23.665 -21.719 -6.779 1.00 25.23 H new ATOM 364 N PRO A 22 23.234 -18.138 -8.889 1.00 21.23 N ATOM 365 CA PRO A 22 23.180 -16.973 -9.777 1.00 63.52 C ATOM 366 C PRO A 22 22.409 -17.259 -11.061 1.00 70.02 C ATOM 367 O PRO A 22 22.710 -18.212 -11.779 1.00 44.51 O ATOM 368 CB PRO A 22 24.653 -16.696 -10.088 1.00 61.45 C ATOM 369 CG PRO A 22 25.332 -18.010 -9.907 1.00 3.21 C ATOM 370 CD PRO A 22 24.588 -18.712 -8.805 1.00 74.34 C ATOM 0 HA PRO A 22 22.662 -16.132 -9.316 1.00 63.52 H new ATOM 0 HB2 PRO A 22 24.780 -16.322 -11.104 1.00 61.45 H new ATOM 0 HB3 PRO A 22 25.064 -15.942 -9.417 1.00 61.45 H new ATOM 0 HG2 PRO A 22 25.306 -18.593 -10.828 1.00 3.21 H new ATOM 0 HG3 PRO A 22 26.381 -17.874 -9.645 1.00 3.21 H new ATOM 0 HD2 PRO A 22 24.577 -19.792 -8.952 1.00 74.34 H new ATOM 0 HD3 PRO A 22 25.043 -18.528 -7.832 1.00 74.34 H new ATOM 378 N GLY A 23 21.412 -16.427 -11.345 1.00 13.41 N ATOM 379 CA GLY A 23 20.613 -16.607 -12.543 1.00 50.11 C ATOM 380 C GLY A 23 19.207 -17.085 -12.237 1.00 5.45 C ATOM 381 O GLY A 23 18.411 -17.314 -13.146 1.00 43.33 O ATOM 0 H GLY A 23 21.143 -15.631 -10.767 1.00 13.41 H new ATOM 0 HA2 GLY A 23 20.562 -15.664 -13.087 1.00 50.11 H new ATOM 0 HA3 GLY A 23 21.103 -17.327 -13.198 1.00 50.11 H new ATOM 385 N GLU A 24 18.903 -17.237 -10.951 1.00 52.35 N ATOM 386 CA GLU A 24 17.584 -17.693 -10.529 1.00 20.24 C ATOM 387 C GLU A 24 16.657 -16.510 -10.265 1.00 43.25 C ATOM 388 O GLU A 24 17.108 -15.374 -10.125 1.00 24.04 O ATOM 389 CB GLU A 24 17.698 -18.556 -9.270 1.00 12.20 C ATOM 390 CG GLU A 24 18.123 -19.987 -9.550 1.00 22.44 C ATOM 391 CD GLU A 24 16.949 -20.895 -9.860 1.00 33.04 C ATOM 392 OE1 GLU A 24 16.335 -21.417 -8.905 1.00 64.42 O ATOM 393 OE2 GLU A 24 16.643 -21.083 -11.056 1.00 20.25 O ATOM 0 H GLU A 24 19.551 -17.051 -10.185 1.00 52.35 H new ATOM 0 HA GLU A 24 17.160 -18.291 -11.335 1.00 20.24 H new ATOM 0 HB2 GLU A 24 18.417 -18.099 -8.590 1.00 12.20 H new ATOM 0 HB3 GLU A 24 16.736 -18.565 -8.758 1.00 12.20 H new ATOM 0 HG2 GLU A 24 18.817 -19.998 -10.390 1.00 22.44 H new ATOM 0 HG3 GLU A 24 18.661 -20.378 -8.686 1.00 22.44 H new ATOM 400 N ASN A 25 15.359 -16.786 -10.201 1.00 53.42 N ATOM 401 CA ASN A 25 14.367 -15.744 -9.956 1.00 64.32 C ATOM 402 C ASN A 25 13.695 -15.941 -8.601 1.00 4.03 C ATOM 403 O ASN A 25 13.101 -16.987 -8.336 1.00 11.20 O ATOM 404 CB ASN A 25 13.313 -15.744 -11.065 1.00 43.42 C ATOM 405 CG ASN A 25 13.918 -15.517 -12.437 1.00 52.54 C ATOM 406 OD1 ASN A 25 14.845 -16.218 -12.843 1.00 51.42 O ATOM 407 ND2 ASN A 25 13.394 -14.533 -13.159 1.00 40.50 N ATOM 0 H ASN A 25 14.969 -17.721 -10.315 1.00 53.42 H new ATOM 0 HA ASN A 25 14.880 -14.782 -9.951 1.00 64.32 H new ATOM 0 HB2 ASN A 25 12.782 -16.696 -11.058 1.00 43.42 H new ATOM 0 HB3 ASN A 25 12.576 -14.967 -10.862 1.00 43.42 H new ATOM 0 HD21 ASN A 25 13.759 -14.333 -14.090 1.00 40.50 H new ATOM 0 HD22 ASN A 25 12.626 -13.977 -12.782 1.00 40.50 H new ATOM 414 N LEU A 26 13.793 -14.929 -7.746 1.00 3.02 N ATOM 415 CA LEU A 26 13.194 -14.989 -6.417 1.00 25.31 C ATOM 416 C LEU A 26 12.118 -13.921 -6.256 1.00 11.13 C ATOM 417 O LEU A 26 12.176 -12.866 -6.888 1.00 24.22 O ATOM 418 CB LEU A 26 14.269 -14.812 -5.343 1.00 64.51 C ATOM 419 CG LEU A 26 15.374 -15.870 -5.318 1.00 75.00 C ATOM 420 CD1 LEU A 26 14.781 -17.263 -5.461 1.00 24.52 C ATOM 421 CD2 LEU A 26 16.391 -15.605 -6.419 1.00 35.43 C ATOM 0 H LEU A 26 14.282 -14.057 -7.949 1.00 3.02 H new ATOM 0 HA LEU A 26 12.729 -15.968 -6.299 1.00 25.31 H new ATOM 0 HB2 LEU A 26 14.732 -13.835 -5.479 1.00 64.51 H new ATOM 0 HB3 LEU A 26 13.782 -14.801 -4.368 1.00 64.51 H new ATOM 0 HG LEU A 26 15.886 -15.812 -4.357 1.00 75.00 H new ATOM 0 HD11 LEU A 26 15.581 -18.003 -5.441 1.00 24.52 H new ATOM 0 HD12 LEU A 26 14.092 -17.451 -4.638 1.00 24.52 H new ATOM 0 HD13 LEU A 26 14.244 -17.335 -6.407 1.00 24.52 H new ATOM 0 HD21 LEU A 26 17.170 -16.367 -6.386 1.00 35.43 H new ATOM 0 HD22 LEU A 26 15.894 -15.636 -7.389 1.00 35.43 H new ATOM 0 HD23 LEU A 26 16.839 -14.622 -6.272 1.00 35.43 H new ATOM 433 N SER A 27 11.137 -14.201 -5.404 1.00 14.41 N ATOM 434 CA SER A 27 10.046 -13.264 -5.160 1.00 74.24 C ATOM 435 C SER A 27 10.278 -12.483 -3.870 1.00 73.35 C ATOM 436 O SER A 27 10.244 -13.047 -2.776 1.00 70.23 O ATOM 437 CB SER A 27 8.712 -14.010 -5.085 1.00 61.34 C ATOM 438 OG SER A 27 7.777 -13.477 -6.007 1.00 12.13 O ATOM 0 H SER A 27 11.075 -15.069 -4.871 1.00 14.41 H new ATOM 0 HA SER A 27 10.014 -12.558 -5.990 1.00 74.24 H new ATOM 0 HB2 SER A 27 8.871 -15.068 -5.294 1.00 61.34 H new ATOM 0 HB3 SER A 27 8.310 -13.942 -4.074 1.00 61.34 H new ATOM 0 HG SER A 27 8.193 -13.407 -6.891 1.00 12.13 H new ATOM 444 N ILE A 28 10.513 -11.183 -4.008 1.00 1.12 N ATOM 445 CA ILE A 28 10.750 -10.324 -2.854 1.00 52.23 C ATOM 446 C ILE A 28 9.443 -9.979 -2.148 1.00 71.31 C ATOM 447 O ILE A 28 8.410 -9.787 -2.791 1.00 30.40 O ATOM 448 CB ILE A 28 11.460 -9.019 -3.260 1.00 63.13 C ATOM 449 CG1 ILE A 28 12.921 -9.299 -3.620 1.00 10.32 C ATOM 450 CG2 ILE A 28 11.372 -7.996 -2.137 1.00 71.44 C ATOM 451 CD1 ILE A 28 13.615 -8.129 -4.283 1.00 34.43 C ATOM 0 H ILE A 28 10.544 -10.701 -4.907 1.00 1.12 H new ATOM 0 HA ILE A 28 11.393 -10.881 -2.173 1.00 52.23 H new ATOM 0 HB ILE A 28 10.961 -8.609 -4.138 1.00 63.13 H new ATOM 0 HG12 ILE A 28 13.465 -9.568 -2.714 1.00 10.32 H new ATOM 0 HG13 ILE A 28 12.964 -10.161 -4.286 1.00 10.32 H new ATOM 0 HG21 ILE A 28 11.878 -7.079 -2.439 1.00 71.44 H new ATOM 0 HG22 ILE A 28 10.325 -7.779 -1.924 1.00 71.44 H new ATOM 0 HG23 ILE A 28 11.849 -8.396 -1.242 1.00 71.44 H new ATOM 0 HD11 ILE A 28 14.646 -8.399 -4.510 1.00 34.43 H new ATOM 0 HD12 ILE A 28 13.095 -7.873 -5.206 1.00 34.43 H new ATOM 0 HD13 ILE A 28 13.604 -7.271 -3.611 1.00 34.43 H new ATOM 463 N CYS A 29 9.496 -9.901 -0.823 1.00 53.12 N ATOM 464 CA CYS A 29 8.316 -9.578 -0.029 1.00 31.13 C ATOM 465 C CYS A 29 8.528 -8.291 0.761 1.00 12.40 C ATOM 466 O CYS A 29 7.631 -7.454 0.855 1.00 53.50 O ATOM 467 CB CYS A 29 7.988 -10.728 0.925 1.00 14.42 C ATOM 468 SG CYS A 29 6.612 -11.767 0.382 1.00 35.31 S ATOM 0 H CYS A 29 10.343 -10.057 -0.276 1.00 53.12 H new ATOM 0 HA CYS A 29 7.478 -9.430 -0.711 1.00 31.13 H new ATOM 0 HB2 CYS A 29 8.874 -11.351 1.045 1.00 14.42 H new ATOM 0 HB3 CYS A 29 7.753 -10.316 1.906 1.00 14.42 H new ATOM 0 HG CYS A 29 5.883 -12.093 1.408 1.00 35.31 H new ATOM 474 N ALA A 30 9.720 -8.140 1.329 1.00 61.15 N ATOM 475 CA ALA A 30 10.050 -6.955 2.110 1.00 1.20 C ATOM 476 C ALA A 30 11.560 -6.766 2.210 1.00 30.12 C ATOM 477 O ALA A 30 12.333 -7.614 1.763 1.00 72.13 O ATOM 478 CB ALA A 30 9.435 -7.050 3.498 1.00 11.14 C ATOM 0 H ALA A 30 10.473 -8.824 1.263 1.00 61.15 H new ATOM 0 HA ALA A 30 9.635 -6.086 1.599 1.00 1.20 H new ATOM 0 HB1 ALA A 30 9.690 -6.158 4.071 1.00 11.14 H new ATOM 0 HB2 ALA A 30 8.351 -7.128 3.411 1.00 11.14 H new ATOM 0 HB3 ALA A 30 9.823 -7.932 4.008 1.00 11.14 H new ATOM 484 N HIS A 31 11.974 -5.649 2.799 1.00 4.23 N ATOM 485 CA HIS A 31 13.393 -5.349 2.958 1.00 50.02 C ATOM 486 C HIS A 31 13.718 -5.013 4.410 1.00 23.11 C ATOM 487 O HIS A 31 12.834 -4.998 5.267 1.00 24.22 O ATOM 488 CB HIS A 31 13.794 -4.185 2.051 1.00 64.42 C ATOM 489 CG HIS A 31 13.258 -2.862 2.502 1.00 3.31 C ATOM 490 ND1 HIS A 31 14.050 -1.744 2.663 1.00 61.24 N ATOM 491 CD2 HIS A 31 12.001 -2.480 2.826 1.00 52.42 C ATOM 492 CE1 HIS A 31 13.303 -0.733 3.067 1.00 1.52 C ATOM 493 NE2 HIS A 31 12.055 -1.152 3.174 1.00 63.33 N ATOM 0 H HIS A 31 11.348 -4.937 3.174 1.00 4.23 H new ATOM 0 HA HIS A 31 13.961 -6.235 2.673 1.00 50.02 H new ATOM 0 HB2 HIS A 31 14.882 -4.130 2.004 1.00 64.42 H new ATOM 0 HB3 HIS A 31 13.441 -4.385 1.039 1.00 64.42 H new ATOM 0 HD2 HIS A 31 11.119 -3.103 2.813 1.00 52.42 H new ATOM 0 HE1 HIS A 31 13.653 0.267 3.275 1.00 1.52 H new ATOM 0 HE2 HIS A 31 11.261 -0.583 3.467 1.00 63.33 H new ATOM 501 N TYR A 32 14.991 -4.745 4.679 1.00 1.13 N ATOM 502 CA TYR A 32 15.433 -4.413 6.028 1.00 4.53 C ATOM 503 C TYR A 32 16.441 -3.268 6.004 1.00 5.35 C ATOM 504 O TYR A 32 17.623 -3.471 5.723 1.00 75.32 O ATOM 505 CB TYR A 32 16.053 -5.639 6.701 1.00 0.41 C ATOM 506 CG TYR A 32 16.370 -5.431 8.165 1.00 50.42 C ATOM 507 CD1 TYR A 32 15.396 -5.610 9.139 1.00 21.33 C ATOM 508 CD2 TYR A 32 17.644 -5.055 8.573 1.00 20.42 C ATOM 509 CE1 TYR A 32 15.681 -5.421 10.478 1.00 43.45 C ATOM 510 CE2 TYR A 32 17.939 -4.865 9.909 1.00 14.15 C ATOM 511 CZ TYR A 32 16.954 -5.048 10.858 1.00 72.23 C ATOM 512 OH TYR A 32 17.242 -4.860 12.190 1.00 42.31 O ATOM 0 H TYR A 32 15.735 -4.751 3.981 1.00 1.13 H new ATOM 0 HA TYR A 32 14.562 -4.095 6.600 1.00 4.53 H new ATOM 0 HB2 TYR A 32 15.369 -6.482 6.602 1.00 0.41 H new ATOM 0 HB3 TYR A 32 16.969 -5.908 6.174 1.00 0.41 H new ATOM 0 HD1 TYR A 32 14.399 -5.902 8.845 1.00 21.33 H new ATOM 0 HD2 TYR A 32 18.417 -4.909 7.833 1.00 20.42 H new ATOM 0 HE1 TYR A 32 14.912 -5.564 11.223 1.00 43.45 H new ATOM 0 HE2 TYR A 32 18.935 -4.575 10.209 1.00 14.15 H new ATOM 0 HH TYR A 32 18.182 -4.601 12.288 1.00 42.31 H new ATOM 522 N ASP A 33 15.966 -2.064 6.303 1.00 42.42 N ATOM 523 CA ASP A 33 16.825 -0.885 6.318 1.00 52.10 C ATOM 524 C ASP A 33 17.548 -0.723 4.985 1.00 45.41 C ATOM 525 O ASP A 33 18.621 -0.122 4.919 1.00 64.35 O ATOM 526 CB ASP A 33 17.842 -0.983 7.456 1.00 71.10 C ATOM 527 CG ASP A 33 18.611 0.308 7.658 1.00 20.31 C ATOM 528 OD1 ASP A 33 18.118 1.368 7.218 1.00 32.34 O ATOM 529 OD2 ASP A 33 19.706 0.258 8.257 1.00 54.04 O ATOM 0 H ASP A 33 14.991 -1.878 6.538 1.00 42.42 H new ATOM 0 HA ASP A 33 16.196 -0.009 6.478 1.00 52.10 H new ATOM 0 HB2 ASP A 33 17.325 -1.243 8.380 1.00 71.10 H new ATOM 0 HB3 ASP A 33 18.543 -1.791 7.245 1.00 71.10 H new ATOM 534 N TYR A 34 16.955 -1.262 3.926 1.00 21.31 N ATOM 535 CA TYR A 34 17.545 -1.181 2.595 1.00 12.51 C ATOM 536 C TYR A 34 18.874 -1.927 2.542 1.00 45.44 C ATOM 537 O TYR A 34 19.665 -1.741 1.617 1.00 4.04 O ATOM 538 CB TYR A 34 17.751 0.281 2.195 1.00 40.33 C ATOM 539 CG TYR A 34 16.536 1.150 2.429 1.00 2.51 C ATOM 540 CD1 TYR A 34 16.335 1.783 3.650 1.00 72.23 C ATOM 541 CD2 TYR A 34 15.590 1.340 1.429 1.00 2.11 C ATOM 542 CE1 TYR A 34 15.226 2.577 3.868 1.00 11.02 C ATOM 543 CE2 TYR A 34 14.479 2.134 1.638 1.00 20.13 C ATOM 544 CZ TYR A 34 14.301 2.750 2.860 1.00 61.34 C ATOM 545 OH TYR A 34 13.196 3.541 3.073 1.00 51.41 O ATOM 0 H TYR A 34 16.066 -1.760 3.963 1.00 21.31 H new ATOM 0 HA TYR A 34 16.858 -1.650 1.891 1.00 12.51 H new ATOM 0 HB2 TYR A 34 18.592 0.688 2.757 1.00 40.33 H new ATOM 0 HB3 TYR A 34 18.021 0.326 1.140 1.00 40.33 H new ATOM 0 HD1 TYR A 34 17.058 1.652 4.441 1.00 72.23 H new ATOM 0 HD2 TYR A 34 15.726 0.859 0.472 1.00 2.11 H new ATOM 0 HE1 TYR A 34 15.084 3.060 4.823 1.00 11.02 H new ATOM 0 HE2 TYR A 34 13.754 2.272 0.850 1.00 20.13 H new ATOM 0 HH TYR A 34 12.645 3.559 2.263 1.00 51.41 H new ATOM 555 N GLU A 35 19.112 -2.772 3.540 1.00 40.31 N ATOM 556 CA GLU A 35 20.346 -3.546 3.607 1.00 33.21 C ATOM 557 C GLU A 35 20.102 -4.995 3.194 1.00 12.12 C ATOM 558 O GLU A 35 20.820 -5.542 2.357 1.00 12.12 O ATOM 559 CB GLU A 35 20.928 -3.498 5.021 1.00 34.54 C ATOM 560 CG GLU A 35 20.892 -2.115 5.648 1.00 41.41 C ATOM 561 CD GLU A 35 21.592 -1.072 4.798 1.00 14.52 C ATOM 562 OE1 GLU A 35 22.421 -1.457 3.948 1.00 3.23 O ATOM 563 OE2 GLU A 35 21.309 0.131 4.984 1.00 75.35 O ATOM 0 H GLU A 35 18.467 -2.938 4.313 1.00 40.31 H new ATOM 0 HA GLU A 35 21.061 -3.104 2.913 1.00 33.21 H new ATOM 0 HB2 GLU A 35 20.375 -4.190 5.656 1.00 34.54 H new ATOM 0 HB3 GLU A 35 21.960 -3.848 4.992 1.00 34.54 H new ATOM 0 HG2 GLU A 35 19.855 -1.817 5.802 1.00 41.41 H new ATOM 0 HG3 GLU A 35 21.362 -2.153 6.631 1.00 41.41 H new ATOM 570 N TRP A 36 19.085 -5.609 3.788 1.00 61.43 N ATOM 571 CA TRP A 36 18.746 -6.995 3.483 1.00 44.14 C ATOM 572 C TRP A 36 17.403 -7.082 2.766 1.00 3.24 C ATOM 573 O TRP A 36 16.628 -6.126 2.763 1.00 52.45 O ATOM 574 CB TRP A 36 18.709 -7.827 4.766 1.00 41.24 C ATOM 575 CG TRP A 36 20.037 -7.917 5.454 1.00 64.01 C ATOM 576 CD1 TRP A 36 20.579 -7.004 6.313 1.00 41.22 C ATOM 577 CD2 TRP A 36 20.992 -8.978 5.339 1.00 34.34 C ATOM 578 NE1 TRP A 36 21.813 -7.433 6.739 1.00 33.40 N ATOM 579 CE2 TRP A 36 22.088 -8.642 6.157 1.00 23.41 C ATOM 580 CE3 TRP A 36 21.025 -10.180 4.628 1.00 65.34 C ATOM 581 CZ2 TRP A 36 23.205 -9.465 6.280 1.00 73.44 C ATOM 582 CZ3 TRP A 36 22.134 -10.996 4.750 1.00 43.20 C ATOM 583 CH2 TRP A 36 23.211 -10.636 5.571 1.00 22.22 C ATOM 0 H TRP A 36 18.481 -5.170 4.483 1.00 61.43 H new ATOM 0 HA TRP A 36 19.515 -7.394 2.822 1.00 44.14 H new ATOM 0 HB2 TRP A 36 17.981 -7.392 5.451 1.00 41.24 H new ATOM 0 HB3 TRP A 36 18.362 -8.833 4.529 1.00 41.24 H new ATOM 0 HD1 TRP A 36 20.107 -6.080 6.613 1.00 41.22 H new ATOM 0 HE1 TRP A 36 22.425 -6.932 7.384 1.00 33.40 H new ATOM 0 HE3 TRP A 36 20.199 -10.467 3.994 1.00 65.34 H new ATOM 0 HZ2 TRP A 36 24.036 -9.189 6.912 1.00 73.44 H new ATOM 0 HZ3 TRP A 36 22.171 -11.927 4.203 1.00 43.20 H new ATOM 0 HH2 TRP A 36 24.063 -11.296 5.646 1.00 22.22 H new ATOM 594 N PHE A 37 17.134 -8.234 2.161 1.00 13.21 N ATOM 595 CA PHE A 37 15.883 -8.445 1.441 1.00 45.33 C ATOM 596 C PHE A 37 15.321 -9.835 1.723 1.00 40.22 C ATOM 597 O PHE A 37 16.059 -10.753 2.082 1.00 73.24 O ATOM 598 CB PHE A 37 16.100 -8.265 -0.063 1.00 63.43 C ATOM 599 CG PHE A 37 15.737 -6.896 -0.562 1.00 71.24 C ATOM 600 CD1 PHE A 37 16.437 -5.780 -0.134 1.00 11.22 C ATOM 601 CD2 PHE A 37 14.696 -6.725 -1.460 1.00 73.54 C ATOM 602 CE1 PHE A 37 16.104 -4.519 -0.591 1.00 12.21 C ATOM 603 CE2 PHE A 37 14.358 -5.467 -1.921 1.00 43.24 C ATOM 604 CZ PHE A 37 15.064 -4.362 -1.487 1.00 22.23 C ATOM 0 H PHE A 37 17.765 -9.036 2.155 1.00 13.21 H new ATOM 0 HA PHE A 37 15.163 -7.704 1.789 1.00 45.33 H new ATOM 0 HB2 PHE A 37 17.146 -8.463 -0.297 1.00 63.43 H new ATOM 0 HB3 PHE A 37 15.508 -9.007 -0.599 1.00 63.43 H new ATOM 0 HD1 PHE A 37 17.252 -5.897 0.565 1.00 11.22 H new ATOM 0 HD2 PHE A 37 14.142 -7.586 -1.804 1.00 73.54 H new ATOM 0 HE1 PHE A 37 16.656 -3.657 -0.248 1.00 12.21 H new ATOM 0 HE2 PHE A 37 13.543 -5.348 -2.620 1.00 43.24 H new ATOM 0 HZ PHE A 37 14.804 -3.378 -1.847 1.00 22.23 H new ATOM 614 N ILE A 38 14.011 -9.981 1.558 1.00 13.24 N ATOM 615 CA ILE A 38 13.349 -11.258 1.795 1.00 42.04 C ATOM 616 C ILE A 38 12.786 -11.833 0.499 1.00 21.25 C ATOM 617 O ILE A 38 11.670 -11.507 0.097 1.00 40.51 O ATOM 618 CB ILE A 38 12.209 -11.120 2.820 1.00 32.25 C ATOM 619 CG1 ILE A 38 12.642 -10.220 3.980 1.00 61.25 C ATOM 620 CG2 ILE A 38 11.790 -12.490 3.334 1.00 1.30 C ATOM 621 CD1 ILE A 38 13.901 -10.692 4.673 1.00 70.01 C ATOM 0 H ILE A 38 13.387 -9.231 1.261 1.00 13.24 H new ATOM 0 HA ILE A 38 14.104 -11.936 2.194 1.00 42.04 H new ATOM 0 HB ILE A 38 11.352 -10.660 2.328 1.00 32.25 H new ATOM 0 HG12 ILE A 38 12.800 -9.209 3.605 1.00 61.25 H new ATOM 0 HG13 ILE A 38 11.834 -10.167 4.709 1.00 61.25 H new ATOM 0 HG21 ILE A 38 10.983 -12.376 4.058 1.00 1.30 H new ATOM 0 HG22 ILE A 38 11.446 -13.102 2.500 1.00 1.30 H new ATOM 0 HG23 ILE A 38 12.641 -12.975 3.813 1.00 1.30 H new ATOM 0 HD11 ILE A 38 14.149 -10.007 5.484 1.00 70.01 H new ATOM 0 HD12 ILE A 38 13.741 -11.691 5.078 1.00 70.01 H new ATOM 0 HD13 ILE A 38 14.722 -10.718 3.957 1.00 70.01 H new ATOM 633 N ALA A 39 13.566 -12.693 -0.148 1.00 32.01 N ATOM 634 CA ALA A 39 13.144 -13.317 -1.396 1.00 35.34 C ATOM 635 C ALA A 39 12.824 -14.794 -1.190 1.00 22.11 C ATOM 636 O ALA A 39 13.446 -15.466 -0.367 1.00 0.14 O ATOM 637 CB ALA A 39 14.219 -13.151 -2.459 1.00 54.13 C ATOM 0 H ALA A 39 14.493 -12.973 0.171 1.00 32.01 H new ATOM 0 HA ALA A 39 12.235 -12.819 -1.734 1.00 35.34 H new ATOM 0 HB1 ALA A 39 13.890 -13.622 -3.386 1.00 54.13 H new ATOM 0 HB2 ALA A 39 14.397 -12.090 -2.634 1.00 54.13 H new ATOM 0 HB3 ALA A 39 15.142 -13.622 -2.120 1.00 54.13 H new ATOM 643 N LYS A 40 11.850 -15.294 -1.943 1.00 24.52 N ATOM 644 CA LYS A 40 11.448 -16.692 -1.844 1.00 72.42 C ATOM 645 C LYS A 40 11.727 -17.432 -3.149 1.00 31.34 C ATOM 646 O LYS A 40 11.766 -16.842 -4.229 1.00 23.54 O ATOM 647 CB LYS A 40 9.961 -16.793 -1.497 1.00 31.15 C ATOM 648 CG LYS A 40 9.585 -16.065 -0.218 1.00 14.12 C ATOM 649 CD LYS A 40 8.158 -16.376 0.201 1.00 15.55 C ATOM 650 CE LYS A 40 7.445 -15.134 0.715 1.00 53.10 C ATOM 651 NZ LYS A 40 8.241 -14.428 1.756 1.00 4.32 N ATOM 0 H LYS A 40 11.324 -14.752 -2.629 1.00 24.52 H new ATOM 0 HA LYS A 40 12.033 -17.157 -1.050 1.00 72.42 H new ATOM 0 HB2 LYS A 40 9.375 -16.387 -2.322 1.00 31.15 H new ATOM 0 HB3 LYS A 40 9.689 -17.844 -1.400 1.00 31.15 H new ATOM 0 HG2 LYS A 40 10.270 -16.352 0.580 1.00 14.12 H new ATOM 0 HG3 LYS A 40 9.697 -14.991 -0.363 1.00 14.12 H new ATOM 0 HD2 LYS A 40 7.610 -16.787 -0.647 1.00 15.55 H new ATOM 0 HD3 LYS A 40 8.164 -17.141 0.977 1.00 15.55 H new ATOM 0 HE2 LYS A 40 7.252 -14.456 -0.116 1.00 53.10 H new ATOM 0 HE3 LYS A 40 6.476 -15.416 1.128 1.00 53.10 H new ATOM 0 HZ1 LYS A 40 7.835 -14.621 2.694 1.00 4.32 H new ATOM 0 HZ2 LYS A 40 9.225 -14.765 1.729 1.00 4.32 H new ATOM 0 HZ3 LYS A 40 8.220 -13.404 1.574 1.00 4.32 H new ATOM 665 N PRO A 41 11.924 -18.755 -3.049 1.00 61.31 N ATOM 666 CA PRO A 41 12.201 -19.604 -4.212 1.00 33.02 C ATOM 667 C PRO A 41 10.986 -19.754 -5.122 1.00 24.53 C ATOM 668 O PRO A 41 9.947 -20.267 -4.706 1.00 22.54 O ATOM 669 CB PRO A 41 12.571 -20.952 -3.587 1.00 41.42 C ATOM 670 CG PRO A 41 11.892 -20.954 -2.261 1.00 42.21 C ATOM 671 CD PRO A 41 11.892 -19.524 -1.794 1.00 34.52 C ATOM 0 HA PRO A 41 12.982 -19.185 -4.847 1.00 33.02 H new ATOM 0 HB2 PRO A 41 12.232 -21.782 -4.207 1.00 41.42 H new ATOM 0 HB3 PRO A 41 13.651 -21.055 -3.479 1.00 41.42 H new ATOM 0 HG2 PRO A 41 10.875 -21.338 -2.344 1.00 42.21 H new ATOM 0 HG3 PRO A 41 12.418 -21.596 -1.554 1.00 42.21 H new ATOM 0 HD2 PRO A 41 11.005 -19.294 -1.204 1.00 34.52 H new ATOM 0 HD3 PRO A 41 12.757 -19.306 -1.167 1.00 34.52 H new ATOM 679 N ILE A 42 11.125 -19.305 -6.364 1.00 52.14 N ATOM 680 CA ILE A 42 10.039 -19.392 -7.333 1.00 11.41 C ATOM 681 C ILE A 42 10.086 -20.712 -8.095 1.00 12.23 C ATOM 682 O ILE A 42 9.077 -21.164 -8.635 1.00 24.43 O ATOM 683 CB ILE A 42 10.089 -18.228 -8.341 1.00 24.22 C ATOM 684 CG1 ILE A 42 10.231 -16.894 -7.606 1.00 5.31 C ATOM 685 CG2 ILE A 42 8.843 -18.229 -9.213 1.00 51.31 C ATOM 686 CD1 ILE A 42 10.312 -15.700 -8.531 1.00 54.23 C ATOM 0 H ILE A 42 11.978 -18.877 -6.724 1.00 52.14 H new ATOM 0 HA ILE A 42 9.108 -19.334 -6.769 1.00 11.41 H new ATOM 0 HB ILE A 42 10.959 -18.361 -8.984 1.00 24.22 H new ATOM 0 HG12 ILE A 42 9.382 -16.766 -6.935 1.00 5.31 H new ATOM 0 HG13 ILE A 42 11.127 -16.924 -6.985 1.00 5.31 H new ATOM 0 HG21 ILE A 42 8.893 -17.401 -9.920 1.00 51.31 H new ATOM 0 HG22 ILE A 42 8.782 -19.170 -9.760 1.00 51.31 H new ATOM 0 HG23 ILE A 42 7.959 -18.117 -8.585 1.00 51.31 H new ATOM 0 HD11 ILE A 42 10.412 -14.789 -7.941 1.00 54.23 H new ATOM 0 HD12 ILE A 42 11.177 -15.805 -9.186 1.00 54.23 H new ATOM 0 HD13 ILE A 42 9.406 -15.645 -9.134 1.00 54.23 H new ATOM 769 N PRO A 47 11.064 -19.198 2.257 1.00 62.42 N ATOM 770 CA PRO A 47 11.439 -17.811 2.546 1.00 61.10 C ATOM 771 C PRO A 47 12.610 -17.718 3.519 1.00 52.44 C ATOM 772 O PRO A 47 12.488 -18.079 4.688 1.00 11.54 O ATOM 773 CB PRO A 47 10.173 -17.225 3.176 1.00 72.25 C ATOM 774 CG PRO A 47 9.460 -18.398 3.754 1.00 73.42 C ATOM 775 CD PRO A 47 9.762 -19.557 2.844 1.00 40.32 C ATOM 0 HA PRO A 47 11.770 -17.283 1.651 1.00 61.10 H new ATOM 0 HB2 PRO A 47 10.416 -16.491 3.945 1.00 72.25 H new ATOM 0 HB3 PRO A 47 9.560 -16.716 2.432 1.00 72.25 H new ATOM 0 HG2 PRO A 47 9.801 -18.600 4.769 1.00 73.42 H new ATOM 0 HG3 PRO A 47 8.387 -18.214 3.809 1.00 73.42 H new ATOM 0 HD2 PRO A 47 9.814 -20.497 3.394 1.00 40.32 H new ATOM 0 HD3 PRO A 47 8.995 -19.678 2.079 1.00 40.32 H new ATOM 783 N GLY A 48 13.745 -17.230 3.027 1.00 71.24 N ATOM 784 CA GLY A 48 14.921 -17.098 3.866 1.00 1.13 C ATOM 785 C GLY A 48 15.371 -15.658 4.011 1.00 45.35 C ATOM 786 O GLY A 48 14.565 -14.773 4.302 1.00 61.32 O ATOM 0 H GLY A 48 13.870 -16.924 2.062 1.00 71.24 H new ATOM 0 HA2 GLY A 48 14.708 -17.510 4.852 1.00 1.13 H new ATOM 0 HA3 GLY A 48 15.734 -17.689 3.443 1.00 1.13 H new ATOM 790 N LEU A 49 16.663 -15.420 3.808 1.00 33.42 N ATOM 791 CA LEU A 49 17.220 -14.077 3.919 1.00 43.11 C ATOM 792 C LEU A 49 18.355 -13.874 2.920 1.00 71.11 C ATOM 793 O LEU A 49 19.288 -14.675 2.853 1.00 54.23 O ATOM 794 CB LEU A 49 17.727 -13.829 5.341 1.00 61.32 C ATOM 795 CG LEU A 49 17.429 -12.450 5.929 1.00 11.20 C ATOM 796 CD1 LEU A 49 17.580 -11.372 4.866 1.00 21.45 C ATOM 797 CD2 LEU A 49 16.031 -12.417 6.529 1.00 10.14 C ATOM 0 H LEU A 49 17.344 -16.140 3.566 1.00 33.42 H new ATOM 0 HA LEU A 49 16.429 -13.363 3.692 1.00 43.11 H new ATOM 0 HB2 LEU A 49 17.292 -14.583 5.997 1.00 61.32 H new ATOM 0 HB3 LEU A 49 18.806 -13.981 5.352 1.00 61.32 H new ATOM 0 HG LEU A 49 18.149 -12.252 6.723 1.00 11.20 H new ATOM 0 HD11 LEU A 49 17.364 -10.397 5.303 1.00 21.45 H new ATOM 0 HD12 LEU A 49 18.600 -11.380 4.482 1.00 21.45 H new ATOM 0 HD13 LEU A 49 16.884 -11.566 4.050 1.00 21.45 H new ATOM 0 HD21 LEU A 49 15.836 -11.428 6.943 1.00 10.14 H new ATOM 0 HD22 LEU A 49 15.297 -12.637 5.754 1.00 10.14 H new ATOM 0 HD23 LEU A 49 15.957 -13.163 7.321 1.00 10.14 H new ATOM 809 N VAL A 50 18.270 -12.797 2.146 1.00 13.40 N ATOM 810 CA VAL A 50 19.291 -12.486 1.153 1.00 73.24 C ATOM 811 C VAL A 50 19.531 -10.983 1.063 1.00 61.43 C ATOM 812 O VAL A 50 18.599 -10.186 0.954 1.00 43.00 O ATOM 813 CB VAL A 50 18.899 -13.016 -0.239 1.00 71.54 C ATOM 814 CG1 VAL A 50 17.630 -12.338 -0.732 1.00 35.24 C ATOM 815 CG2 VAL A 50 20.039 -12.814 -1.226 1.00 54.34 C ATOM 0 H VAL A 50 17.504 -12.125 2.188 1.00 13.40 H new ATOM 0 HA VAL A 50 20.208 -12.978 1.477 1.00 73.24 H new ATOM 0 HB VAL A 50 18.703 -14.085 -0.159 1.00 71.54 H new ATOM 0 HG11 VAL A 50 17.369 -12.726 -1.717 1.00 35.24 H new ATOM 0 HG12 VAL A 50 16.816 -12.539 -0.036 1.00 35.24 H new ATOM 0 HG13 VAL A 50 17.794 -11.262 -0.797 1.00 35.24 H new ATOM 0 HG21 VAL A 50 19.745 -13.194 -2.204 1.00 54.34 H new ATOM 0 HG22 VAL A 50 20.269 -11.751 -1.304 1.00 54.34 H new ATOM 0 HG23 VAL A 50 20.921 -13.352 -0.878 1.00 54.34 H new ATOM 825 N PRO A 51 20.811 -10.585 1.108 1.00 21.25 N ATOM 826 CA PRO A 51 21.205 -9.175 1.033 1.00 74.13 C ATOM 827 C PRO A 51 20.967 -8.581 -0.351 1.00 51.52 C ATOM 828 O PRO A 51 20.796 -9.308 -1.330 1.00 32.05 O ATOM 829 CB PRO A 51 22.702 -9.207 1.351 1.00 75.10 C ATOM 830 CG PRO A 51 23.142 -10.576 0.963 1.00 22.30 C ATOM 831 CD PRO A 51 21.973 -11.481 1.237 1.00 12.12 C ATOM 0 HA PRO A 51 20.625 -8.552 1.714 1.00 74.13 H new ATOM 0 HB2 PRO A 51 23.242 -8.444 0.791 1.00 75.10 H new ATOM 0 HB3 PRO A 51 22.886 -9.017 2.408 1.00 75.10 H new ATOM 0 HG2 PRO A 51 23.424 -10.611 -0.089 1.00 22.30 H new ATOM 0 HG3 PRO A 51 24.016 -10.883 1.538 1.00 22.30 H new ATOM 0 HD2 PRO A 51 21.927 -12.305 0.524 1.00 12.12 H new ATOM 0 HD3 PRO A 51 22.031 -11.923 2.232 1.00 12.12 H new ATOM 839 N VAL A 52 20.958 -7.253 -0.427 1.00 32.45 N ATOM 840 CA VAL A 52 20.743 -6.561 -1.691 1.00 54.14 C ATOM 841 C VAL A 52 21.937 -6.734 -2.623 1.00 3.43 C ATOM 842 O VAL A 52 21.817 -6.583 -3.838 1.00 74.24 O ATOM 843 CB VAL A 52 20.490 -5.057 -1.472 1.00 73.52 C ATOM 844 CG1 VAL A 52 19.963 -4.413 -2.746 1.00 20.35 C ATOM 845 CG2 VAL A 52 19.523 -4.843 -0.317 1.00 61.13 C ATOM 0 H VAL A 52 21.097 -6.636 0.373 1.00 32.45 H new ATOM 0 HA VAL A 52 19.861 -7.007 -2.150 1.00 54.14 H new ATOM 0 HB VAL A 52 21.436 -4.580 -1.217 1.00 73.52 H new ATOM 0 HG11 VAL A 52 19.790 -3.351 -2.572 1.00 20.35 H new ATOM 0 HG12 VAL A 52 20.694 -4.536 -3.545 1.00 20.35 H new ATOM 0 HG13 VAL A 52 19.027 -4.890 -3.035 1.00 20.35 H new ATOM 0 HG21 VAL A 52 19.355 -3.775 -0.176 1.00 61.13 H new ATOM 0 HG22 VAL A 52 18.575 -5.333 -0.540 1.00 61.13 H new ATOM 0 HG23 VAL A 52 19.945 -5.268 0.594 1.00 61.13 H new ATOM 855 N SER A 53 23.091 -7.051 -2.044 1.00 31.03 N ATOM 856 CA SER A 53 24.310 -7.241 -2.821 1.00 74.45 C ATOM 857 C SER A 53 24.341 -8.631 -3.451 1.00 52.30 C ATOM 858 O SER A 53 25.289 -8.986 -4.152 1.00 12.20 O ATOM 859 CB SER A 53 25.541 -7.042 -1.936 1.00 22.50 C ATOM 860 OG SER A 53 25.512 -5.778 -1.298 1.00 13.41 O ATOM 0 H SER A 53 23.207 -7.182 -1.039 1.00 31.03 H new ATOM 0 HA SER A 53 24.322 -6.499 -3.619 1.00 74.45 H new ATOM 0 HB2 SER A 53 25.584 -7.831 -1.185 1.00 22.50 H new ATOM 0 HB3 SER A 53 26.444 -7.127 -2.540 1.00 22.50 H new ATOM 0 HG SER A 53 25.974 -5.836 -0.436 1.00 13.41 H new ATOM 866 N TYR A 54 23.298 -9.412 -3.196 1.00 33.43 N ATOM 867 CA TYR A 54 23.205 -10.764 -3.735 1.00 24.15 C ATOM 868 C TYR A 54 21.914 -10.948 -4.526 1.00 62.10 C ATOM 869 O TYR A 54 21.532 -12.069 -4.862 1.00 64.20 O ATOM 870 CB TYR A 54 23.275 -11.792 -2.604 1.00 74.20 C ATOM 871 CG TYR A 54 24.686 -12.139 -2.187 1.00 32.14 C ATOM 872 CD1 TYR A 54 25.453 -11.244 -1.451 1.00 22.32 C ATOM 873 CD2 TYR A 54 25.252 -13.361 -2.529 1.00 2.25 C ATOM 874 CE1 TYR A 54 26.743 -11.557 -1.068 1.00 3.53 C ATOM 875 CE2 TYR A 54 26.541 -13.682 -2.149 1.00 32.05 C ATOM 876 CZ TYR A 54 27.282 -12.777 -1.419 1.00 4.35 C ATOM 877 OH TYR A 54 28.567 -13.092 -1.039 1.00 71.43 O ATOM 0 H TYR A 54 22.504 -9.133 -2.619 1.00 33.43 H new ATOM 0 HA TYR A 54 24.047 -10.918 -4.410 1.00 24.15 H new ATOM 0 HB2 TYR A 54 22.734 -11.406 -1.740 1.00 74.20 H new ATOM 0 HB3 TYR A 54 22.764 -12.702 -2.919 1.00 74.20 H new ATOM 0 HD1 TYR A 54 25.034 -10.288 -1.174 1.00 22.32 H new ATOM 0 HD2 TYR A 54 24.675 -14.072 -3.101 1.00 2.25 H new ATOM 0 HE1 TYR A 54 27.326 -10.850 -0.497 1.00 3.53 H new ATOM 0 HE2 TYR A 54 26.966 -14.637 -2.422 1.00 32.05 H new ATOM 0 HH TYR A 54 28.794 -13.988 -1.365 1.00 71.43 H new ATOM 887 N VAL A 55 21.246 -9.838 -4.821 1.00 55.24 N ATOM 888 CA VAL A 55 19.998 -9.874 -5.575 1.00 31.31 C ATOM 889 C VAL A 55 19.780 -8.574 -6.341 1.00 65.43 C ATOM 890 O VAL A 55 20.046 -7.487 -5.828 1.00 22.50 O ATOM 891 CB VAL A 55 18.791 -10.120 -4.650 1.00 72.34 C ATOM 892 CG1 VAL A 55 18.776 -11.561 -4.163 1.00 22.20 C ATOM 893 CG2 VAL A 55 18.813 -9.152 -3.477 1.00 73.22 C ATOM 0 H VAL A 55 21.548 -8.902 -4.550 1.00 55.24 H new ATOM 0 HA VAL A 55 20.080 -10.699 -6.282 1.00 31.31 H new ATOM 0 HB VAL A 55 17.878 -9.945 -5.219 1.00 72.34 H new ATOM 0 HG11 VAL A 55 17.916 -11.716 -3.511 1.00 22.20 H new ATOM 0 HG12 VAL A 55 18.708 -12.233 -5.018 1.00 22.20 H new ATOM 0 HG13 VAL A 55 19.692 -11.768 -3.610 1.00 22.20 H new ATOM 0 HG21 VAL A 55 17.953 -9.340 -2.834 1.00 73.22 H new ATOM 0 HG22 VAL A 55 19.731 -9.293 -2.906 1.00 73.22 H new ATOM 0 HG23 VAL A 55 18.771 -8.128 -3.849 1.00 73.22 H new ATOM 903 N ARG A 56 19.295 -8.694 -7.573 1.00 21.13 N ATOM 904 CA ARG A 56 19.042 -7.528 -8.411 1.00 23.32 C ATOM 905 C ARG A 56 17.546 -7.338 -8.640 1.00 51.32 C ATOM 906 O ARG A 56 16.876 -8.212 -9.192 1.00 3.24 O ATOM 907 CB ARG A 56 19.760 -7.674 -9.754 1.00 5.33 C ATOM 908 CG ARG A 56 19.308 -6.667 -10.799 1.00 1.25 C ATOM 909 CD ARG A 56 20.046 -6.859 -12.114 1.00 62.30 C ATOM 910 NE ARG A 56 21.230 -6.009 -12.207 1.00 51.10 N ATOM 911 CZ ARG A 56 22.244 -6.248 -13.031 1.00 73.05 C ATOM 912 NH1 ARG A 56 22.218 -7.306 -13.830 1.00 54.02 N ATOM 913 NH2 ARG A 56 23.286 -5.428 -13.058 1.00 42.44 N ATOM 0 H ARG A 56 19.070 -9.586 -8.013 1.00 21.13 H new ATOM 0 HA ARG A 56 19.427 -6.649 -7.894 1.00 23.32 H new ATOM 0 HB2 ARG A 56 20.833 -7.565 -9.596 1.00 5.33 H new ATOM 0 HB3 ARG A 56 19.595 -8.681 -10.137 1.00 5.33 H new ATOM 0 HG2 ARG A 56 18.235 -6.769 -10.964 1.00 1.25 H new ATOM 0 HG3 ARG A 56 19.479 -5.656 -10.429 1.00 1.25 H new ATOM 0 HD2 ARG A 56 20.341 -7.903 -12.215 1.00 62.30 H new ATOM 0 HD3 ARG A 56 19.374 -6.636 -12.943 1.00 62.30 H new ATOM 0 HE ARG A 56 21.281 -5.186 -11.606 1.00 51.10 H new ATOM 0 HH11 ARG A 56 21.418 -7.939 -13.813 1.00 54.02 H new ATOM 0 HH12 ARG A 56 22.998 -7.487 -14.462 1.00 54.02 H new ATOM 0 HH21 ARG A 56 23.309 -4.613 -12.446 1.00 42.44 H new ATOM 0 HH22 ARG A 56 24.064 -5.613 -13.691 1.00 42.44 H new ATOM 927 N ILE A 57 17.028 -6.191 -8.213 1.00 45.22 N ATOM 928 CA ILE A 57 15.612 -5.886 -8.373 1.00 20.04 C ATOM 929 C ILE A 57 15.246 -5.728 -9.844 1.00 71.55 C ATOM 930 O ILE A 57 15.629 -4.751 -10.489 1.00 22.45 O ATOM 931 CB ILE A 57 15.224 -4.600 -7.618 1.00 64.53 C ATOM 932 CG1 ILE A 57 15.838 -4.601 -6.216 1.00 75.15 C ATOM 933 CG2 ILE A 57 13.711 -4.468 -7.540 1.00 72.13 C ATOM 934 CD1 ILE A 57 15.513 -5.843 -5.416 1.00 0.34 C ATOM 0 H ILE A 57 17.568 -5.458 -7.754 1.00 45.22 H new ATOM 0 HA ILE A 57 15.059 -6.726 -7.952 1.00 20.04 H new ATOM 0 HB ILE A 57 15.616 -3.742 -8.165 1.00 64.53 H new ATOM 0 HG12 ILE A 57 16.921 -4.507 -6.302 1.00 75.15 H new ATOM 0 HG13 ILE A 57 15.484 -3.725 -5.672 1.00 75.15 H new ATOM 0 HG21 ILE A 57 13.453 -3.555 -7.004 1.00 72.13 H new ATOM 0 HG22 ILE A 57 13.297 -4.427 -8.547 1.00 72.13 H new ATOM 0 HG23 ILE A 57 13.297 -5.328 -7.013 1.00 72.13 H new ATOM 0 HD11 ILE A 57 15.980 -5.776 -4.434 1.00 0.34 H new ATOM 0 HD12 ILE A 57 14.433 -5.928 -5.299 1.00 0.34 H new ATOM 0 HD13 ILE A 57 15.892 -6.722 -5.938 1.00 0.34 H new ATOM 946 N ILE A 58 14.501 -6.695 -10.370 1.00 31.11 N ATOM 947 CA ILE A 58 14.080 -6.662 -11.765 1.00 44.01 C ATOM 948 C ILE A 58 12.587 -6.942 -11.896 1.00 1.20 C ATOM 949 O ILE A 58 12.082 -7.934 -11.369 1.00 45.44 O ATOM 950 CB ILE A 58 14.859 -7.686 -12.612 1.00 42.53 C ATOM 951 CG1 ILE A 58 14.889 -9.045 -11.910 1.00 14.50 C ATOM 952 CG2 ILE A 58 16.273 -7.189 -12.876 1.00 12.32 C ATOM 953 CD1 ILE A 58 14.573 -10.206 -12.827 1.00 2.51 C ATOM 0 H ILE A 58 14.177 -7.511 -9.851 1.00 31.11 H new ATOM 0 HA ILE A 58 14.293 -5.659 -12.135 1.00 44.01 H new ATOM 0 HB ILE A 58 14.351 -7.804 -13.569 1.00 42.53 H new ATOM 0 HG12 ILE A 58 15.875 -9.197 -11.472 1.00 14.50 H new ATOM 0 HG13 ILE A 58 14.173 -9.036 -11.088 1.00 14.50 H new ATOM 0 HG21 ILE A 58 16.811 -7.923 -13.476 1.00 12.32 H new ATOM 0 HG22 ILE A 58 16.231 -6.242 -13.414 1.00 12.32 H new ATOM 0 HG23 ILE A 58 16.791 -7.045 -11.928 1.00 12.32 H new ATOM 0 HD11 ILE A 58 14.613 -11.137 -12.262 1.00 2.51 H new ATOM 0 HD12 ILE A 58 13.575 -10.078 -13.246 1.00 2.51 H new ATOM 0 HD13 ILE A 58 15.304 -10.241 -13.635 1.00 2.51 H new ATOM 965 N ASP A 59 11.886 -6.062 -12.603 1.00 31.33 N ATOM 966 CA ASP A 59 10.450 -6.216 -12.806 1.00 11.30 C ATOM 967 C ASP A 59 10.146 -7.480 -13.603 1.00 60.32 C ATOM 968 O ASP A 59 10.688 -7.687 -14.690 1.00 30.31 O ATOM 969 CB ASP A 59 9.882 -4.993 -13.529 1.00 22.31 C ATOM 970 CG ASP A 59 8.647 -4.439 -12.847 1.00 34.51 C ATOM 971 OD1 ASP A 59 8.794 -3.779 -11.797 1.00 52.43 O ATOM 972 OD2 ASP A 59 7.533 -4.666 -13.363 1.00 74.22 O ATOM 0 H ASP A 59 12.288 -5.235 -13.045 1.00 31.33 H new ATOM 0 HA ASP A 59 9.977 -6.303 -11.828 1.00 11.30 H new ATOM 0 HB2 ASP A 59 10.645 -4.217 -13.578 1.00 22.31 H new ATOM 0 HB3 ASP A 59 9.636 -5.263 -14.556 1.00 22.31 H new ATOM 977 N LEU A 60 9.277 -8.324 -13.056 1.00 44.35 N ATOM 978 CA LEU A 60 8.902 -9.569 -13.716 1.00 73.40 C ATOM 979 C LEU A 60 8.310 -9.298 -15.095 1.00 72.34 C ATOM 980 O LEU A 60 8.430 -10.118 -16.005 1.00 71.32 O ATOM 981 CB LEU A 60 7.896 -10.340 -12.859 1.00 55.22 C ATOM 982 CG LEU A 60 7.133 -11.462 -13.565 1.00 4.01 C ATOM 983 CD1 LEU A 60 8.101 -12.481 -14.147 1.00 2.33 C ATOM 984 CD2 LEU A 60 6.163 -12.134 -12.604 1.00 51.43 C ATOM 0 H LEU A 60 8.820 -8.168 -12.158 1.00 44.35 H new ATOM 0 HA LEU A 60 9.802 -10.171 -13.840 1.00 73.40 H new ATOM 0 HB2 LEU A 60 8.426 -10.768 -12.008 1.00 55.22 H new ATOM 0 HB3 LEU A 60 7.171 -9.631 -12.459 1.00 55.22 H new ATOM 0 HG LEU A 60 6.560 -11.027 -14.383 1.00 4.01 H new ATOM 0 HD11 LEU A 60 7.541 -13.272 -14.645 1.00 2.33 H new ATOM 0 HD12 LEU A 60 8.756 -11.991 -14.868 1.00 2.33 H new ATOM 0 HD13 LEU A 60 8.701 -12.912 -13.346 1.00 2.33 H new ATOM 0 HD21 LEU A 60 5.629 -12.930 -13.123 1.00 51.43 H new ATOM 0 HD22 LEU A 60 6.716 -12.556 -11.765 1.00 51.43 H new ATOM 0 HD23 LEU A 60 5.448 -11.398 -12.235 1.00 51.43 H new ATOM 996 N MET A 61 7.673 -8.141 -15.243 1.00 74.42 N ATOM 997 CA MET A 61 7.065 -7.761 -16.513 1.00 41.22 C ATOM 998 C MET A 61 8.069 -7.028 -17.398 1.00 14.33 C ATOM 999 O MET A 61 7.754 -6.646 -18.525 1.00 13.31 O ATOM 1000 CB MET A 61 5.839 -6.878 -16.272 1.00 44.43 C ATOM 1001 CG MET A 61 4.971 -7.346 -15.116 1.00 74.03 C ATOM 1002 SD MET A 61 4.388 -9.039 -15.327 1.00 23.53 S ATOM 1003 CE MET A 61 4.382 -9.609 -13.629 1.00 0.14 C ATOM 0 H MET A 61 7.564 -7.451 -14.500 1.00 74.42 H new ATOM 0 HA MET A 61 6.753 -8.671 -17.025 1.00 41.22 H new ATOM 0 HB2 MET A 61 6.169 -5.857 -16.078 1.00 44.43 H new ATOM 0 HB3 MET A 61 5.237 -6.851 -17.180 1.00 44.43 H new ATOM 0 HG2 MET A 61 5.539 -7.274 -14.188 1.00 74.03 H new ATOM 0 HG3 MET A 61 4.114 -6.680 -15.018 1.00 74.03 H new ATOM 0 HE1 MET A 61 4.199 -10.683 -13.606 1.00 0.14 H new ATOM 0 HE2 MET A 61 5.347 -9.395 -13.170 1.00 0.14 H new ATOM 0 HE3 MET A 61 3.596 -9.096 -13.076 1.00 0.14 H new ATOM 1013 N ASP A 62 9.276 -6.834 -16.880 1.00 25.53 N ATOM 1014 CA ASP A 62 10.326 -6.148 -17.623 1.00 44.41 C ATOM 1015 C ASP A 62 11.665 -6.256 -16.899 1.00 13.20 C ATOM 1016 O ASP A 62 12.081 -5.352 -16.173 1.00 75.33 O ATOM 1017 CB ASP A 62 9.959 -4.677 -17.825 1.00 1.30 C ATOM 1018 CG ASP A 62 10.516 -4.113 -19.117 1.00 44.12 C ATOM 1019 OD1 ASP A 62 11.620 -4.535 -19.521 1.00 71.10 O ATOM 1020 OD2 ASP A 62 9.849 -3.249 -19.724 1.00 45.33 O ATOM 0 H ASP A 62 9.552 -7.142 -15.948 1.00 25.53 H new ATOM 0 HA ASP A 62 10.421 -6.628 -18.597 1.00 44.41 H new ATOM 0 HB2 ASP A 62 8.874 -4.573 -17.825 1.00 1.30 H new ATOM 0 HB3 ASP A 62 10.335 -4.093 -16.985 1.00 1.30 H new ATOM 1025 N PRO A 63 12.356 -7.388 -17.098 1.00 40.24 N ATOM 1026 CA PRO A 63 13.657 -7.641 -16.473 1.00 22.43 C ATOM 1027 C PRO A 63 14.758 -6.753 -17.043 1.00 74.21 C ATOM 1028 O PRO A 63 15.882 -6.743 -16.543 1.00 12.04 O ATOM 1029 CB PRO A 63 13.930 -9.111 -16.805 1.00 0.44 C ATOM 1030 CG PRO A 63 13.149 -9.370 -18.046 1.00 53.12 C ATOM 1031 CD PRO A 63 11.921 -8.507 -17.951 1.00 31.14 C ATOM 0 HA PRO A 63 13.644 -7.426 -15.405 1.00 22.43 H new ATOM 0 HB2 PRO A 63 14.994 -9.291 -16.962 1.00 0.44 H new ATOM 0 HB3 PRO A 63 13.612 -9.766 -15.993 1.00 0.44 H new ATOM 0 HG2 PRO A 63 13.732 -9.122 -18.933 1.00 53.12 H new ATOM 0 HG3 PRO A 63 12.880 -10.423 -18.125 1.00 53.12 H new ATOM 0 HD2 PRO A 63 11.596 -8.161 -18.932 1.00 31.14 H new ATOM 0 HD3 PRO A 63 11.083 -9.047 -17.509 1.00 31.14 H new ATOM 1039 N ALA A 64 14.426 -6.009 -18.093 1.00 1.52 N ATOM 1040 CA ALA A 64 15.386 -5.115 -18.729 1.00 71.13 C ATOM 1041 C ALA A 64 15.170 -3.672 -18.287 1.00 13.11 C ATOM 1042 O ALA A 64 15.914 -2.773 -18.679 1.00 52.14 O ATOM 1043 CB ALA A 64 15.286 -5.226 -20.244 1.00 1.45 C ATOM 0 H ALA A 64 13.500 -6.008 -18.521 1.00 1.52 H new ATOM 0 HA ALA A 64 16.386 -5.416 -18.418 1.00 71.13 H new ATOM 0 HB1 ALA A 64 16.008 -4.553 -20.707 1.00 1.45 H new ATOM 0 HB2 ALA A 64 15.498 -6.251 -20.549 1.00 1.45 H new ATOM 0 HB3 ALA A 64 14.280 -4.953 -20.563 1.00 1.45 H new ATOM 1049 N LYS A 65 14.146 -3.456 -17.468 1.00 31.21 N ATOM 1050 CA LYS A 65 13.831 -2.122 -16.971 1.00 20.11 C ATOM 1051 C LYS A 65 14.717 -1.761 -15.783 1.00 44.33 C ATOM 1052 O LYS A 65 15.361 -0.711 -15.774 1.00 21.14 O ATOM 1053 CB LYS A 65 12.358 -2.041 -16.564 1.00 72.44 C ATOM 1054 CG LYS A 65 11.895 -0.634 -16.230 1.00 4.12 C ATOM 1055 CD LYS A 65 10.412 -0.453 -16.507 1.00 23.50 C ATOM 1056 CE LYS A 65 9.603 -1.640 -16.005 1.00 42.33 C ATOM 1057 NZ LYS A 65 8.269 -1.223 -15.491 1.00 23.34 N ATOM 0 H LYS A 65 13.520 -4.189 -17.134 1.00 31.21 H new ATOM 0 HA LYS A 65 14.020 -1.409 -17.774 1.00 20.11 H new ATOM 0 HB2 LYS A 65 11.744 -2.434 -17.374 1.00 72.44 H new ATOM 0 HB3 LYS A 65 12.193 -2.684 -15.699 1.00 72.44 H new ATOM 0 HG2 LYS A 65 12.098 -0.423 -15.180 1.00 4.12 H new ATOM 0 HG3 LYS A 65 12.466 0.086 -16.816 1.00 4.12 H new ATOM 0 HD2 LYS A 65 10.059 0.459 -16.025 1.00 23.50 H new ATOM 0 HD3 LYS A 65 10.253 -0.330 -17.578 1.00 23.50 H new ATOM 0 HE2 LYS A 65 9.472 -2.359 -16.814 1.00 42.33 H new ATOM 0 HE3 LYS A 65 10.155 -2.147 -15.214 1.00 42.33 H new ATOM 0 HZ1 LYS A 65 7.748 -2.059 -15.158 1.00 23.34 H new ATOM 0 HZ2 LYS A 65 8.394 -0.556 -14.702 1.00 23.34 H new ATOM 0 HZ3 LYS A 65 7.732 -0.761 -16.253 1.00 23.34 H new ATOM 1071 N TYR A 66 14.747 -2.636 -14.785 1.00 61.40 N ATOM 1072 CA TYR A 66 15.554 -2.409 -13.592 1.00 41.32 C ATOM 1073 C TYR A 66 16.810 -3.274 -13.611 1.00 65.01 C ATOM 1074 O TYR A 66 17.391 -3.567 -12.567 1.00 23.53 O ATOM 1075 CB TYR A 66 14.737 -2.704 -12.334 1.00 34.43 C ATOM 1076 CG TYR A 66 13.583 -1.750 -12.123 1.00 31.01 C ATOM 1077 CD1 TYR A 66 12.450 -1.810 -12.925 1.00 43.02 C ATOM 1078 CD2 TYR A 66 13.625 -0.789 -11.120 1.00 44.24 C ATOM 1079 CE1 TYR A 66 11.394 -0.939 -12.737 1.00 24.54 C ATOM 1080 CE2 TYR A 66 12.574 0.085 -10.924 1.00 35.15 C ATOM 1081 CZ TYR A 66 11.461 0.006 -11.734 1.00 74.14 C ATOM 1082 OH TYR A 66 10.410 0.874 -11.542 1.00 63.04 O ATOM 0 H TYR A 66 14.221 -3.510 -14.778 1.00 61.40 H new ATOM 0 HA TYR A 66 15.856 -1.362 -13.583 1.00 41.32 H new ATOM 0 HB2 TYR A 66 14.350 -3.721 -12.393 1.00 34.43 H new ATOM 0 HB3 TYR A 66 15.395 -2.663 -11.466 1.00 34.43 H new ATOM 0 HD1 TYR A 66 12.394 -2.550 -13.709 1.00 43.02 H new ATOM 0 HD2 TYR A 66 14.495 -0.725 -10.483 1.00 44.24 H new ATOM 0 HE1 TYR A 66 10.522 -0.998 -13.371 1.00 24.54 H new ATOM 0 HE2 TYR A 66 12.624 0.827 -10.140 1.00 35.15 H new ATOM 0 HH TYR A 66 10.615 1.475 -10.796 1.00 63.04 H new ATOM 1092 N ALA A 67 17.224 -3.679 -14.807 1.00 43.25 N ATOM 1093 CA ALA A 67 18.413 -4.508 -14.964 1.00 53.15 C ATOM 1094 C ALA A 67 19.682 -3.667 -14.893 1.00 45.54 C ATOM 1095 O ALA A 67 20.774 -4.190 -14.671 1.00 60.43 O ATOM 1096 CB ALA A 67 18.355 -5.269 -16.280 1.00 72.45 C ATOM 0 H ALA A 67 16.754 -3.446 -15.682 1.00 43.25 H new ATOM 0 HA ALA A 67 18.437 -5.224 -14.143 1.00 53.15 H new ATOM 0 HB1 ALA A 67 19.249 -5.884 -16.384 1.00 72.45 H new ATOM 0 HB2 ALA A 67 17.472 -5.908 -16.292 1.00 72.45 H new ATOM 0 HB3 ALA A 67 18.303 -4.561 -17.107 1.00 72.45 H new ATOM 1102 N SER A 68 19.532 -2.360 -15.084 1.00 44.31 N ATOM 1103 CA SER A 68 20.668 -1.446 -15.046 1.00 63.11 C ATOM 1104 C SER A 68 20.663 -0.626 -13.760 1.00 10.04 C ATOM 1105 O SER A 68 21.247 0.456 -13.697 1.00 21.11 O ATOM 1106 CB SER A 68 20.641 -0.514 -16.259 1.00 11.12 C ATOM 1107 OG SER A 68 19.311 -0.184 -16.619 1.00 35.33 O ATOM 0 H SER A 68 18.635 -1.910 -15.267 1.00 44.31 H new ATOM 0 HA SER A 68 21.581 -2.040 -15.074 1.00 63.11 H new ATOM 0 HB2 SER A 68 21.197 0.396 -16.034 1.00 11.12 H new ATOM 0 HB3 SER A 68 21.141 -0.993 -17.101 1.00 11.12 H new ATOM 0 HG SER A 68 19.321 0.414 -17.396 1.00 35.33 H new ATOM 1113 N VAL A 69 19.998 -1.149 -12.734 1.00 65.52 N ATOM 1114 CA VAL A 69 19.917 -0.468 -11.448 1.00 11.20 C ATOM 1115 C VAL A 69 21.056 -0.892 -10.528 1.00 30.11 C ATOM 1116 O VAL A 69 21.538 -2.023 -10.600 1.00 54.11 O ATOM 1117 CB VAL A 69 18.574 -0.749 -10.748 1.00 21.11 C ATOM 1118 CG1 VAL A 69 18.509 -2.194 -10.277 1.00 65.13 C ATOM 1119 CG2 VAL A 69 18.370 0.209 -9.584 1.00 74.01 C ATOM 0 H VAL A 69 19.508 -2.043 -12.769 1.00 65.52 H new ATOM 0 HA VAL A 69 19.997 0.600 -11.650 1.00 11.20 H new ATOM 0 HB VAL A 69 17.770 -0.590 -11.466 1.00 21.11 H new ATOM 0 HG11 VAL A 69 17.553 -2.374 -9.785 1.00 65.13 H new ATOM 0 HG12 VAL A 69 18.607 -2.861 -11.134 1.00 65.13 H new ATOM 0 HG13 VAL A 69 19.320 -2.384 -9.574 1.00 65.13 H new ATOM 0 HG21 VAL A 69 17.416 -0.004 -9.101 1.00 74.01 H new ATOM 0 HG22 VAL A 69 19.178 0.083 -8.863 1.00 74.01 H new ATOM 0 HG23 VAL A 69 18.369 1.235 -9.953 1.00 74.01 H new ATOM 1129 N ASP A 70 21.482 0.022 -9.663 1.00 30.31 N ATOM 1130 CA ASP A 70 22.564 -0.258 -8.726 1.00 42.13 C ATOM 1131 C ASP A 70 22.012 -0.623 -7.352 1.00 5.44 C ATOM 1132 O ASP A 70 21.911 0.227 -6.465 1.00 61.35 O ATOM 1133 CB ASP A 70 23.494 0.951 -8.612 1.00 53.32 C ATOM 1134 CG ASP A 70 24.139 1.313 -9.936 1.00 34.23 C ATOM 1135 OD1 ASP A 70 25.104 0.627 -10.331 1.00 43.34 O ATOM 1136 OD2 ASP A 70 23.678 2.282 -10.575 1.00 62.35 O ATOM 0 H ASP A 70 21.095 0.963 -9.591 1.00 30.31 H new ATOM 0 HA ASP A 70 23.131 -1.108 -9.107 1.00 42.13 H new ATOM 0 HB2 ASP A 70 22.929 1.806 -8.241 1.00 53.32 H new ATOM 0 HB3 ASP A 70 24.272 0.739 -7.878 1.00 53.32 H new ATOM 1141 N THR A 71 21.656 -1.892 -7.180 1.00 55.32 N ATOM 1142 CA THR A 71 21.112 -2.369 -5.915 1.00 11.41 C ATOM 1143 C THR A 71 22.007 -1.970 -4.747 1.00 33.10 C ATOM 1144 O THR A 71 21.524 -1.513 -3.711 1.00 3.53 O ATOM 1145 CB THR A 71 20.942 -3.900 -5.918 1.00 3.42 C ATOM 1146 OG1 THR A 71 21.747 -4.480 -6.950 1.00 41.24 O ATOM 1147 CG2 THR A 71 19.485 -4.282 -6.128 1.00 61.33 C ATOM 0 H THR A 71 21.735 -2.608 -7.902 1.00 55.32 H new ATOM 0 HA THR A 71 20.134 -1.903 -5.795 1.00 11.41 H new ATOM 0 HB THR A 71 21.265 -4.282 -4.949 1.00 3.42 H new ATOM 0 HG1 THR A 71 21.635 -5.454 -6.944 1.00 41.24 H new ATOM 0 HG21 THR A 71 19.390 -5.368 -6.126 1.00 61.33 H new ATOM 0 HG22 THR A 71 18.880 -3.863 -5.324 1.00 61.33 H new ATOM 0 HG23 THR A 71 19.140 -3.889 -7.084 1.00 61.33 H new ATOM 1155 N TYR A 72 23.312 -2.146 -4.921 1.00 12.20 N ATOM 1156 CA TYR A 72 24.274 -1.806 -3.880 1.00 3.21 C ATOM 1157 C TYR A 72 24.097 -0.361 -3.425 1.00 14.53 C ATOM 1158 O TYR A 72 24.177 -0.059 -2.234 1.00 11.41 O ATOM 1159 CB TYR A 72 25.702 -2.021 -4.386 1.00 33.03 C ATOM 1160 CG TYR A 72 26.764 -1.538 -3.425 1.00 1.35 C ATOM 1161 CD1 TYR A 72 27.009 -2.210 -2.234 1.00 4.13 C ATOM 1162 CD2 TYR A 72 27.523 -0.409 -3.708 1.00 65.11 C ATOM 1163 CE1 TYR A 72 27.978 -1.771 -1.352 1.00 65.33 C ATOM 1164 CE2 TYR A 72 28.496 0.036 -2.833 1.00 73.13 C ATOM 1165 CZ TYR A 72 28.719 -0.648 -1.657 1.00 21.24 C ATOM 1166 OH TYR A 72 29.686 -0.209 -0.782 1.00 4.10 O ATOM 0 H TYR A 72 23.728 -2.522 -5.773 1.00 12.20 H new ATOM 0 HA TYR A 72 24.094 -2.461 -3.027 1.00 3.21 H new ATOM 0 HB2 TYR A 72 25.854 -3.083 -4.579 1.00 33.03 H new ATOM 0 HB3 TYR A 72 25.823 -1.504 -5.338 1.00 33.03 H new ATOM 0 HD1 TYR A 72 26.432 -3.091 -1.993 1.00 4.13 H new ATOM 0 HD2 TYR A 72 27.350 0.130 -4.628 1.00 65.11 H new ATOM 0 HE1 TYR A 72 28.154 -2.304 -0.429 1.00 65.33 H new ATOM 0 HE2 TYR A 72 29.078 0.914 -3.069 1.00 73.13 H new ATOM 0 HH TYR A 72 30.117 0.592 -1.146 1.00 4.10 H new ATOM 1176 N ASP A 73 23.854 0.528 -4.382 1.00 1.44 N ATOM 1177 CA ASP A 73 23.663 1.943 -4.081 1.00 32.51 C ATOM 1178 C ASP A 73 22.421 2.152 -3.220 1.00 22.24 C ATOM 1179 O ASP A 73 21.294 2.028 -3.698 1.00 53.33 O ATOM 1180 CB ASP A 73 23.543 2.749 -5.375 1.00 2.33 C ATOM 1181 CG ASP A 73 23.507 4.244 -5.124 1.00 2.03 C ATOM 1182 OD1 ASP A 73 23.645 4.652 -3.952 1.00 25.13 O ATOM 1183 OD2 ASP A 73 23.340 5.006 -6.099 1.00 73.02 O ATOM 0 H ASP A 73 23.785 0.294 -5.372 1.00 1.44 H new ATOM 0 HA ASP A 73 24.532 2.292 -3.524 1.00 32.51 H new ATOM 0 HB2 ASP A 73 24.385 2.513 -6.026 1.00 2.33 H new ATOM 0 HB3 ASP A 73 22.638 2.450 -5.903 1.00 2.33 H new ATOM 1188 N ARG A 74 22.637 2.468 -1.947 1.00 14.11 N ATOM 1189 CA ARG A 74 21.535 2.692 -1.018 1.00 41.14 C ATOM 1190 C ARG A 74 20.553 3.717 -1.578 1.00 34.14 C ATOM 1191 O ARG A 74 19.363 3.683 -1.266 1.00 54.43 O ATOM 1192 CB ARG A 74 22.069 3.167 0.334 1.00 31.24 C ATOM 1193 CG ARG A 74 22.530 4.615 0.333 1.00 51.21 C ATOM 1194 CD ARG A 74 23.825 4.787 -0.445 1.00 61.23 C ATOM 1195 NE ARG A 74 24.847 3.831 -0.026 1.00 14.14 N ATOM 1196 CZ ARG A 74 25.967 3.608 -0.703 1.00 42.21 C ATOM 1197 NH1 ARG A 74 26.209 4.270 -1.827 1.00 22.55 N ATOM 1198 NH2 ARG A 74 26.849 2.723 -0.257 1.00 32.42 N ATOM 0 H ARG A 74 23.564 2.575 -1.535 1.00 14.11 H new ATOM 0 HA ARG A 74 21.009 1.747 -0.881 1.00 41.14 H new ATOM 0 HB2 ARG A 74 21.290 3.043 1.086 1.00 31.24 H new ATOM 0 HB3 ARG A 74 22.902 2.530 0.630 1.00 31.24 H new ATOM 0 HG2 ARG A 74 21.755 5.244 -0.105 1.00 51.21 H new ATOM 0 HG3 ARG A 74 22.673 4.953 1.359 1.00 51.21 H new ATOM 0 HD2 ARG A 74 23.627 4.663 -1.510 1.00 61.23 H new ATOM 0 HD3 ARG A 74 24.199 5.801 -0.306 1.00 61.23 H new ATOM 0 HE ARG A 74 24.691 3.306 0.834 1.00 14.14 H new ATOM 0 HH11 ARG A 74 25.534 4.952 -2.173 1.00 22.55 H new ATOM 0 HH12 ARG A 74 27.070 4.097 -2.345 1.00 22.55 H new ATOM 0 HH21 ARG A 74 26.667 2.213 0.607 1.00 32.42 H new ATOM 0 HH22 ARG A 74 27.709 2.553 -0.778 1.00 32.42 H new ATOM 1212 N GLU A 75 21.060 4.626 -2.404 1.00 1.32 N ATOM 1213 CA GLU A 75 20.227 5.661 -3.005 1.00 12.23 C ATOM 1214 C GLU A 75 19.224 5.053 -3.981 1.00 13.32 C ATOM 1215 O GLU A 75 18.016 5.249 -3.847 1.00 41.10 O ATOM 1216 CB GLU A 75 21.097 6.692 -3.726 1.00 53.45 C ATOM 1217 CG GLU A 75 21.766 7.685 -2.791 1.00 40.43 C ATOM 1218 CD GLU A 75 23.020 8.294 -3.388 1.00 2.43 C ATOM 1219 OE1 GLU A 75 23.214 8.171 -4.615 1.00 4.31 O ATOM 1220 OE2 GLU A 75 23.807 8.894 -2.626 1.00 45.51 O ATOM 0 H GLU A 75 22.043 4.667 -2.672 1.00 1.32 H new ATOM 0 HA GLU A 75 19.675 6.157 -2.206 1.00 12.23 H new ATOM 0 HB2 GLU A 75 21.865 6.171 -4.298 1.00 53.45 H new ATOM 0 HB3 GLU A 75 20.482 7.237 -4.441 1.00 53.45 H new ATOM 0 HG2 GLU A 75 21.061 8.480 -2.547 1.00 40.43 H new ATOM 0 HG3 GLU A 75 22.019 7.185 -1.856 1.00 40.43 H new ATOM 1227 N GLN A 76 19.734 4.316 -4.962 1.00 10.01 N ATOM 1228 CA GLN A 76 18.883 3.681 -5.961 1.00 62.32 C ATOM 1229 C GLN A 76 17.892 2.726 -5.304 1.00 55.14 C ATOM 1230 O GLN A 76 16.680 2.852 -5.485 1.00 22.20 O ATOM 1231 CB GLN A 76 19.736 2.926 -6.982 1.00 60.23 C ATOM 1232 CG GLN A 76 20.824 3.778 -7.616 1.00 14.44 C ATOM 1233 CD GLN A 76 20.556 4.074 -9.078 1.00 51.02 C ATOM 1234 OE1 GLN A 76 21.212 3.331 -9.962 1.00 65.43 O flip ATOM 1235 NE2 GLN A 76 19.768 4.961 -9.410 1.00 55.23 N flip ATOM 0 H GLN A 76 20.732 4.144 -5.086 1.00 10.01 H new ATOM 0 HA GLN A 76 18.322 4.462 -6.473 1.00 62.32 H new ATOM 0 HB2 GLN A 76 20.197 2.067 -6.494 1.00 60.23 H new ATOM 0 HB3 GLN A 76 19.088 2.536 -7.767 1.00 60.23 H new ATOM 0 HG2 GLN A 76 20.910 4.717 -7.069 1.00 14.44 H new ATOM 0 HG3 GLN A 76 21.782 3.266 -7.523 1.00 14.44 H new ATOM 0 HE21 GLN A 76 19.286 5.508 -8.697 1.00 55.23 H new ATOM 0 HE22 GLN A 76 19.598 5.149 -10.398 1.00 55.23 H new ATOM 1244 N VAL A 77 18.414 1.771 -4.541 1.00 74.04 N ATOM 1245 CA VAL A 77 17.574 0.795 -3.857 1.00 2.12 C ATOM 1246 C VAL A 77 16.499 1.483 -3.024 1.00 12.42 C ATOM 1247 O VAL A 77 15.397 0.960 -2.860 1.00 1.23 O ATOM 1248 CB VAL A 77 18.410 -0.120 -2.942 1.00 14.02 C ATOM 1249 CG1 VAL A 77 18.738 0.587 -1.635 1.00 75.34 C ATOM 1250 CG2 VAL A 77 17.675 -1.426 -2.681 1.00 73.20 C ATOM 0 H VAL A 77 19.414 1.652 -4.381 1.00 74.04 H new ATOM 0 HA VAL A 77 17.099 0.189 -4.629 1.00 2.12 H new ATOM 0 HB VAL A 77 19.348 -0.351 -3.447 1.00 14.02 H new ATOM 0 HG11 VAL A 77 19.329 -0.075 -1.002 1.00 75.34 H new ATOM 0 HG12 VAL A 77 19.307 1.493 -1.844 1.00 75.34 H new ATOM 0 HG13 VAL A 77 17.813 0.850 -1.122 1.00 75.34 H new ATOM 0 HG21 VAL A 77 18.280 -2.061 -2.033 1.00 73.20 H new ATOM 0 HG22 VAL A 77 16.721 -1.216 -2.196 1.00 73.20 H new ATOM 0 HG23 VAL A 77 17.497 -1.938 -3.626 1.00 73.20 H new ATOM 1260 N MET A 78 16.826 2.660 -2.500 1.00 45.13 N ATOM 1261 CA MET A 78 15.887 3.422 -1.685 1.00 62.41 C ATOM 1262 C MET A 78 14.716 3.919 -2.526 1.00 72.44 C ATOM 1263 O MET A 78 13.555 3.668 -2.203 1.00 32.34 O ATOM 1264 CB MET A 78 16.595 4.606 -1.025 1.00 43.44 C ATOM 1265 CG MET A 78 17.030 4.335 0.406 1.00 72.43 C ATOM 1266 SD MET A 78 17.662 5.808 1.231 1.00 31.34 S ATOM 1267 CE MET A 78 19.412 5.669 0.878 1.00 3.10 C ATOM 0 H MET A 78 17.734 3.107 -2.625 1.00 45.13 H new ATOM 0 HA MET A 78 15.500 2.762 -0.909 1.00 62.41 H new ATOM 0 HB2 MET A 78 17.470 4.871 -1.618 1.00 43.44 H new ATOM 0 HB3 MET A 78 15.929 5.469 -1.036 1.00 43.44 H new ATOM 0 HG2 MET A 78 16.184 3.942 0.970 1.00 72.43 H new ATOM 0 HG3 MET A 78 17.800 3.564 0.408 1.00 72.43 H new ATOM 0 HE1 MET A 78 19.972 6.315 1.554 1.00 3.10 H new ATOM 0 HE2 MET A 78 19.730 4.636 1.017 1.00 3.10 H new ATOM 0 HE3 MET A 78 19.601 5.972 -0.152 1.00 3.10 H new ATOM 1277 N LYS A 79 15.028 4.625 -3.608 1.00 34.12 N ATOM 1278 CA LYS A 79 14.002 5.157 -4.497 1.00 34.22 C ATOM 1279 C LYS A 79 13.085 4.045 -4.997 1.00 64.32 C ATOM 1280 O LYS A 79 11.873 4.230 -5.110 1.00 44.44 O ATOM 1281 CB LYS A 79 14.648 5.873 -5.685 1.00 23.41 C ATOM 1282 CG LYS A 79 15.292 7.199 -5.319 1.00 72.11 C ATOM 1283 CD LYS A 79 16.676 7.335 -5.931 1.00 21.52 C ATOM 1284 CE LYS A 79 17.390 8.578 -5.424 1.00 11.30 C ATOM 1285 NZ LYS A 79 17.995 8.362 -4.080 1.00 55.23 N ATOM 0 H LYS A 79 15.984 4.842 -3.890 1.00 34.12 H new ATOM 0 HA LYS A 79 13.403 5.871 -3.933 1.00 34.22 H new ATOM 0 HB2 LYS A 79 15.403 5.221 -6.125 1.00 23.41 H new ATOM 0 HB3 LYS A 79 13.891 6.045 -6.450 1.00 23.41 H new ATOM 0 HG2 LYS A 79 14.660 8.018 -5.661 1.00 72.11 H new ATOM 0 HG3 LYS A 79 15.363 7.283 -4.235 1.00 72.11 H new ATOM 0 HD2 LYS A 79 17.268 6.451 -5.693 1.00 21.52 H new ATOM 0 HD3 LYS A 79 16.592 7.380 -7.017 1.00 21.52 H new ATOM 0 HE2 LYS A 79 18.169 8.863 -6.131 1.00 11.30 H new ATOM 0 HE3 LYS A 79 16.685 9.407 -5.375 1.00 11.30 H new ATOM 0 HZ1 LYS A 79 18.967 8.732 -4.073 1.00 55.23 H new ATOM 0 HZ2 LYS A 79 17.430 8.858 -3.361 1.00 55.23 H new ATOM 0 HZ3 LYS A 79 18.011 7.344 -3.866 1.00 55.23 H new ATOM 1299 N ILE A 80 13.672 2.890 -5.294 1.00 33.24 N ATOM 1300 CA ILE A 80 12.907 1.748 -5.779 1.00 70.20 C ATOM 1301 C ILE A 80 11.929 1.251 -4.720 1.00 22.33 C ATOM 1302 O ILE A 80 10.728 1.148 -4.969 1.00 54.31 O ATOM 1303 CB ILE A 80 13.830 0.587 -6.194 1.00 44.20 C ATOM 1304 CG1 ILE A 80 14.746 1.020 -7.341 1.00 3.43 C ATOM 1305 CG2 ILE A 80 13.007 -0.627 -6.596 1.00 71.04 C ATOM 1306 CD1 ILE A 80 15.755 -0.034 -7.739 1.00 45.40 C ATOM 0 H ILE A 80 14.674 2.721 -5.207 1.00 33.24 H new ATOM 0 HA ILE A 80 12.351 2.089 -6.652 1.00 70.20 H new ATOM 0 HB ILE A 80 14.451 0.314 -5.341 1.00 44.20 H new ATOM 0 HG12 ILE A 80 14.135 1.272 -8.208 1.00 3.43 H new ATOM 0 HG13 ILE A 80 15.276 1.927 -7.050 1.00 3.43 H new ATOM 0 HG21 ILE A 80 13.674 -1.439 -6.887 1.00 71.04 H new ATOM 0 HG22 ILE A 80 12.393 -0.946 -5.754 1.00 71.04 H new ATOM 0 HG23 ILE A 80 12.363 -0.368 -7.437 1.00 71.04 H new ATOM 0 HD11 ILE A 80 16.370 0.341 -8.557 1.00 45.40 H new ATOM 0 HD12 ILE A 80 16.391 -0.270 -6.886 1.00 45.40 H new ATOM 0 HD13 ILE A 80 15.232 -0.934 -8.062 1.00 45.40 H new ATOM 1318 N ILE A 81 12.452 0.945 -3.537 1.00 12.10 N ATOM 1319 CA ILE A 81 11.624 0.462 -2.439 1.00 23.34 C ATOM 1320 C ILE A 81 10.558 1.485 -2.062 1.00 70.33 C ATOM 1321 O ILE A 81 9.439 1.124 -1.697 1.00 51.40 O ATOM 1322 CB ILE A 81 12.473 0.140 -1.194 1.00 74.42 C ATOM 1323 CG1 ILE A 81 13.447 -1.001 -1.496 1.00 31.04 C ATOM 1324 CG2 ILE A 81 11.575 -0.220 -0.020 1.00 12.22 C ATOM 1325 CD1 ILE A 81 14.474 -1.222 -0.407 1.00 51.12 C ATOM 0 H ILE A 81 13.444 1.023 -3.315 1.00 12.10 H new ATOM 0 HA ILE A 81 11.141 -0.451 -2.786 1.00 23.34 H new ATOM 0 HB ILE A 81 13.051 1.025 -0.927 1.00 74.42 H new ATOM 0 HG12 ILE A 81 12.882 -1.921 -1.643 1.00 31.04 H new ATOM 0 HG13 ILE A 81 13.962 -0.790 -2.433 1.00 31.04 H new ATOM 0 HG21 ILE A 81 12.189 -0.445 0.852 1.00 12.22 H new ATOM 0 HG22 ILE A 81 10.917 0.619 0.206 1.00 12.22 H new ATOM 0 HG23 ILE A 81 10.974 -1.093 -0.276 1.00 12.22 H new ATOM 0 HD11 ILE A 81 15.131 -2.045 -0.688 1.00 51.12 H new ATOM 0 HD12 ILE A 81 15.065 -0.316 -0.275 1.00 51.12 H new ATOM 0 HD13 ILE A 81 13.967 -1.465 0.527 1.00 51.12 H new ATOM 1337 N ASP A 82 10.912 2.762 -2.156 1.00 21.34 N ATOM 1338 CA ASP A 82 9.985 3.838 -1.828 1.00 13.33 C ATOM 1339 C ASP A 82 8.861 3.920 -2.856 1.00 60.43 C ATOM 1340 O ASP A 82 7.684 3.973 -2.501 1.00 24.45 O ATOM 1341 CB ASP A 82 10.725 5.174 -1.757 1.00 5.44 C ATOM 1342 CG ASP A 82 9.887 6.268 -1.125 1.00 3.25 C ATOM 1343 OD1 ASP A 82 9.125 5.963 -0.183 1.00 5.11 O ATOM 1344 OD2 ASP A 82 9.994 7.429 -1.571 1.00 12.42 O ATOM 0 H ASP A 82 11.834 3.077 -2.457 1.00 21.34 H new ATOM 0 HA ASP A 82 9.547 3.622 -0.854 1.00 13.33 H new ATOM 0 HB2 ASP A 82 11.643 5.047 -1.184 1.00 5.44 H new ATOM 0 HB3 ASP A 82 11.016 5.478 -2.762 1.00 5.44 H new ATOM 1349 N GLU A 83 9.233 3.930 -4.132 1.00 44.05 N ATOM 1350 CA GLU A 83 8.256 4.007 -5.212 1.00 41.10 C ATOM 1351 C GLU A 83 7.333 2.792 -5.198 1.00 63.23 C ATOM 1352 O GLU A 83 6.120 2.918 -5.362 1.00 14.00 O ATOM 1353 CB GLU A 83 8.964 4.108 -6.565 1.00 2.24 C ATOM 1354 CG GLU A 83 9.621 5.456 -6.808 1.00 45.33 C ATOM 1355 CD GLU A 83 8.724 6.414 -7.568 1.00 22.00 C ATOM 1356 OE1 GLU A 83 8.121 5.990 -8.575 1.00 73.33 O ATOM 1357 OE2 GLU A 83 8.626 7.588 -7.154 1.00 52.32 O ATOM 0 H GLU A 83 10.203 3.886 -4.443 1.00 44.05 H new ATOM 0 HA GLU A 83 7.653 4.902 -5.058 1.00 41.10 H new ATOM 0 HB2 GLU A 83 9.722 3.327 -6.628 1.00 2.24 H new ATOM 0 HB3 GLU A 83 8.242 3.917 -7.359 1.00 2.24 H new ATOM 0 HG2 GLU A 83 9.893 5.901 -5.851 1.00 45.33 H new ATOM 0 HG3 GLU A 83 10.546 5.310 -7.366 1.00 45.33 H new ATOM 1364 N PHE A 84 7.918 1.615 -5.002 1.00 71.44 N ATOM 1365 CA PHE A 84 7.150 0.376 -4.969 1.00 34.42 C ATOM 1366 C PHE A 84 6.393 0.241 -3.651 1.00 33.43 C ATOM 1367 O PHE A 84 5.445 -0.538 -3.542 1.00 51.33 O ATOM 1368 CB PHE A 84 8.074 -0.828 -5.165 1.00 12.02 C ATOM 1369 CG PHE A 84 8.321 -1.165 -6.607 1.00 45.04 C ATOM 1370 CD1 PHE A 84 8.952 -0.260 -7.446 1.00 0.24 C ATOM 1371 CD2 PHE A 84 7.923 -2.387 -7.125 1.00 41.13 C ATOM 1372 CE1 PHE A 84 9.182 -0.567 -8.774 1.00 12.14 C ATOM 1373 CE2 PHE A 84 8.151 -2.700 -8.452 1.00 54.41 C ATOM 1374 CZ PHE A 84 8.780 -1.788 -9.278 1.00 35.14 C ATOM 0 H PHE A 84 8.921 1.493 -4.864 1.00 71.44 H new ATOM 0 HA PHE A 84 6.426 0.405 -5.783 1.00 34.42 H new ATOM 0 HB2 PHE A 84 9.028 -0.626 -4.679 1.00 12.02 H new ATOM 0 HB3 PHE A 84 7.639 -1.695 -4.667 1.00 12.02 H new ATOM 0 HD1 PHE A 84 9.268 0.697 -7.057 1.00 0.24 H new ATOM 0 HD2 PHE A 84 7.429 -3.103 -6.485 1.00 41.13 H new ATOM 0 HE1 PHE A 84 9.675 0.147 -9.416 1.00 12.14 H new ATOM 0 HE2 PHE A 84 7.838 -3.657 -8.843 1.00 54.41 H new ATOM 0 HZ PHE A 84 8.957 -2.030 -10.316 1.00 35.14 H new ATOM 1384 N LYS A 85 6.819 1.004 -2.650 1.00 54.01 N ATOM 1385 CA LYS A 85 6.183 0.972 -1.338 1.00 54.14 C ATOM 1386 C LYS A 85 6.327 -0.404 -0.697 1.00 72.42 C ATOM 1387 O LYS A 85 5.349 -0.983 -0.222 1.00 24.13 O ATOM 1388 CB LYS A 85 4.701 1.338 -1.458 1.00 5.20 C ATOM 1389 CG LYS A 85 4.451 2.609 -2.252 1.00 21.41 C ATOM 1390 CD LYS A 85 4.889 3.843 -1.482 1.00 31.04 C ATOM 1391 CE LYS A 85 4.902 5.078 -2.369 1.00 41.21 C ATOM 1392 NZ LYS A 85 5.658 6.200 -1.747 1.00 45.00 N ATOM 0 H LYS A 85 7.603 1.653 -2.722 1.00 54.01 H new ATOM 0 HA LYS A 85 6.682 1.703 -0.702 1.00 54.14 H new ATOM 0 HB2 LYS A 85 4.169 0.513 -1.932 1.00 5.20 H new ATOM 0 HB3 LYS A 85 4.282 1.456 -0.459 1.00 5.20 H new ATOM 0 HG2 LYS A 85 4.989 2.560 -3.198 1.00 21.41 H new ATOM 0 HG3 LYS A 85 3.391 2.686 -2.492 1.00 21.41 H new ATOM 0 HD2 LYS A 85 4.216 4.006 -0.640 1.00 31.04 H new ATOM 0 HD3 LYS A 85 5.884 3.681 -1.068 1.00 31.04 H new ATOM 0 HE2 LYS A 85 5.348 4.829 -3.332 1.00 41.21 H new ATOM 0 HE3 LYS A 85 3.878 5.395 -2.565 1.00 41.21 H new ATOM 0 HZ1 LYS A 85 5.503 7.069 -2.296 1.00 45.00 H new ATOM 0 HZ2 LYS A 85 5.327 6.343 -0.772 1.00 45.00 H new ATOM 0 HZ3 LYS A 85 6.673 5.972 -1.738 1.00 45.00 H new ATOM 1406 N ILE A 86 7.551 -0.922 -0.687 1.00 15.14 N ATOM 1407 CA ILE A 86 7.822 -2.229 -0.101 1.00 54.12 C ATOM 1408 C ILE A 86 7.867 -2.151 1.421 1.00 14.10 C ATOM 1409 O ILE A 86 8.553 -1.312 2.004 1.00 3.24 O ATOM 1410 CB ILE A 86 9.153 -2.810 -0.614 1.00 35.33 C ATOM 1411 CG1 ILE A 86 9.243 -2.671 -2.135 1.00 32.32 C ATOM 1412 CG2 ILE A 86 9.288 -4.268 -0.201 1.00 33.23 C ATOM 1413 CD1 ILE A 86 10.547 -3.175 -2.711 1.00 64.13 C ATOM 0 H ILE A 86 8.370 -0.457 -1.078 1.00 15.14 H new ATOM 0 HA ILE A 86 7.007 -2.886 -0.404 1.00 54.12 H new ATOM 0 HB ILE A 86 9.974 -2.248 -0.168 1.00 35.33 H new ATOM 0 HG12 ILE A 86 8.418 -3.218 -2.591 1.00 32.32 H new ATOM 0 HG13 ILE A 86 9.117 -1.622 -2.404 1.00 32.32 H new ATOM 0 HG21 ILE A 86 10.233 -4.665 -0.571 1.00 33.23 H new ATOM 0 HG22 ILE A 86 9.264 -4.342 0.886 1.00 33.23 H new ATOM 0 HG23 ILE A 86 8.464 -4.843 -0.622 1.00 33.23 H new ATOM 0 HD11 ILE A 86 10.541 -3.045 -3.793 1.00 64.13 H new ATOM 0 HD12 ILE A 86 11.376 -2.611 -2.283 1.00 64.13 H new ATOM 0 HD13 ILE A 86 10.666 -4.232 -2.473 1.00 64.13 H new ATOM 1425 N PRO A 87 7.119 -3.047 2.082 1.00 72.12 N ATOM 1426 CA PRO A 87 7.058 -3.102 3.545 1.00 20.04 C ATOM 1427 C PRO A 87 8.364 -3.591 4.162 1.00 61.11 C ATOM 1428 O PRO A 87 9.207 -4.173 3.478 1.00 73.22 O ATOM 1429 CB PRO A 87 5.931 -4.102 3.816 1.00 24.24 C ATOM 1430 CG PRO A 87 5.890 -4.964 2.602 1.00 55.12 C ATOM 1431 CD PRO A 87 6.276 -4.076 1.451 1.00 74.40 C ATOM 0 HA PRO A 87 6.888 -2.118 3.983 1.00 20.04 H new ATOM 0 HB2 PRO A 87 6.130 -4.690 4.712 1.00 24.24 H new ATOM 0 HB3 PRO A 87 4.980 -3.594 3.973 1.00 24.24 H new ATOM 0 HG2 PRO A 87 6.579 -5.803 2.696 1.00 55.12 H new ATOM 0 HG3 PRO A 87 4.895 -5.384 2.455 1.00 55.12 H new ATOM 0 HD2 PRO A 87 6.820 -4.626 0.684 1.00 74.40 H new ATOM 0 HD3 PRO A 87 5.401 -3.639 0.970 1.00 74.40 H new ATOM 1439 N THR A 88 8.527 -3.352 5.460 1.00 50.25 N ATOM 1440 CA THR A 88 9.731 -3.767 6.168 1.00 32.32 C ATOM 1441 C THR A 88 9.558 -5.153 6.780 1.00 43.04 C ATOM 1442 O THR A 88 8.444 -5.669 6.869 1.00 0.45 O ATOM 1443 CB THR A 88 10.100 -2.769 7.282 1.00 34.41 C ATOM 1444 OG1 THR A 88 9.152 -1.696 7.311 1.00 4.14 O ATOM 1445 CG2 THR A 88 11.499 -2.212 7.068 1.00 72.10 C ATOM 0 H THR A 88 7.840 -2.873 6.042 1.00 50.25 H new ATOM 0 HA THR A 88 10.536 -3.794 5.434 1.00 32.32 H new ATOM 0 HB THR A 88 10.079 -3.297 8.235 1.00 34.41 H new ATOM 0 HG1 THR A 88 9.392 -1.067 8.023 1.00 4.14 H new ATOM 0 HG21 THR A 88 11.737 -1.510 7.867 1.00 72.10 H new ATOM 0 HG22 THR A 88 12.221 -3.029 7.076 1.00 72.10 H new ATOM 0 HG23 THR A 88 11.543 -1.698 6.108 1.00 72.10 H new ATOM 1453 N VAL A 89 10.668 -5.752 7.200 1.00 42.32 N ATOM 1454 CA VAL A 89 10.639 -7.078 7.805 1.00 43.10 C ATOM 1455 C VAL A 89 9.604 -7.150 8.921 1.00 13.05 C ATOM 1456 O VAL A 89 8.726 -8.012 8.912 1.00 22.51 O ATOM 1457 CB VAL A 89 12.018 -7.466 8.372 1.00 34.23 C ATOM 1458 CG1 VAL A 89 11.949 -8.820 9.063 1.00 11.52 C ATOM 1459 CG2 VAL A 89 13.064 -7.474 7.269 1.00 65.34 C ATOM 0 H VAL A 89 11.598 -5.340 7.132 1.00 42.32 H new ATOM 0 HA VAL A 89 10.368 -7.780 7.017 1.00 43.10 H new ATOM 0 HB VAL A 89 12.310 -6.721 9.112 1.00 34.23 H new ATOM 0 HG11 VAL A 89 12.932 -9.078 9.457 1.00 11.52 H new ATOM 0 HG12 VAL A 89 11.230 -8.775 9.881 1.00 11.52 H new ATOM 0 HG13 VAL A 89 11.635 -9.579 8.346 1.00 11.52 H new ATOM 0 HG21 VAL A 89 14.032 -7.750 7.687 1.00 65.34 H new ATOM 0 HG22 VAL A 89 12.780 -8.196 6.504 1.00 65.34 H new ATOM 0 HG23 VAL A 89 13.131 -6.481 6.824 1.00 65.34 H new ATOM 1469 N GLU A 90 9.713 -6.237 9.882 1.00 34.41 N ATOM 1470 CA GLU A 90 8.785 -6.198 11.006 1.00 31.44 C ATOM 1471 C GLU A 90 7.339 -6.203 10.519 1.00 52.11 C ATOM 1472 O GLU A 90 6.515 -6.982 10.997 1.00 61.42 O ATOM 1473 CB GLU A 90 9.041 -4.958 11.865 1.00 23.10 C ATOM 1474 CG GLU A 90 10.245 -5.092 12.783 1.00 13.50 C ATOM 1475 CD GLU A 90 10.407 -3.902 13.709 1.00 12.30 C ATOM 1476 OE1 GLU A 90 10.952 -2.871 13.262 1.00 25.41 O ATOM 1477 OE2 GLU A 90 9.987 -4.002 14.881 1.00 2.42 O ATOM 0 H GLU A 90 10.434 -5.516 9.904 1.00 34.41 H new ATOM 0 HA GLU A 90 8.950 -7.090 11.610 1.00 31.44 H new ATOM 0 HB2 GLU A 90 9.187 -4.098 11.212 1.00 23.10 H new ATOM 0 HB3 GLU A 90 8.156 -4.755 12.468 1.00 23.10 H new ATOM 0 HG2 GLU A 90 10.144 -6.000 13.378 1.00 13.50 H new ATOM 0 HG3 GLU A 90 11.146 -5.204 12.180 1.00 13.50 H new ATOM 1484 N GLN A 91 7.039 -5.327 9.566 1.00 42.53 N ATOM 1485 CA GLN A 91 5.693 -5.229 9.015 1.00 52.45 C ATOM 1486 C GLN A 91 5.237 -6.570 8.450 1.00 34.15 C ATOM 1487 O GLN A 91 4.118 -7.015 8.709 1.00 23.02 O ATOM 1488 CB GLN A 91 5.643 -4.159 7.922 1.00 14.02 C ATOM 1489 CG GLN A 91 6.236 -2.826 8.348 1.00 24.02 C ATOM 1490 CD GLN A 91 5.647 -2.313 9.647 1.00 21.24 C ATOM 1491 OE1 GLN A 91 4.443 -2.418 9.880 1.00 35.54 O ATOM 1492 NE2 GLN A 91 6.495 -1.754 10.502 1.00 2.05 N ATOM 0 H GLN A 91 7.710 -4.675 9.159 1.00 42.53 H new ATOM 0 HA GLN A 91 5.017 -4.946 9.822 1.00 52.45 H new ATOM 0 HB2 GLN A 91 6.179 -4.522 7.045 1.00 14.02 H new ATOM 0 HB3 GLN A 91 4.606 -4.007 7.621 1.00 14.02 H new ATOM 0 HG2 GLN A 91 7.315 -2.932 8.460 1.00 24.02 H new ATOM 0 HG3 GLN A 91 6.068 -2.090 7.562 1.00 24.02 H new ATOM 0 HE21 GLN A 91 7.486 -1.688 10.268 1.00 2.05 H new ATOM 0 HE22 GLN A 91 6.156 -1.391 11.393 1.00 2.05 H new ATOM 1501 N TRP A 92 6.109 -7.209 7.679 1.00 14.11 N ATOM 1502 CA TRP A 92 5.795 -8.500 7.078 1.00 74.21 C ATOM 1503 C TRP A 92 5.471 -9.535 8.150 1.00 62.45 C ATOM 1504 O TRP A 92 4.587 -10.374 7.971 1.00 44.32 O ATOM 1505 CB TRP A 92 6.965 -8.985 6.220 1.00 54.50 C ATOM 1506 CG TRP A 92 6.670 -10.250 5.473 1.00 33.23 C ATOM 1507 CD1 TRP A 92 5.691 -10.442 4.540 1.00 21.22 C ATOM 1508 CD2 TRP A 92 7.358 -11.499 5.599 1.00 71.32 C ATOM 1509 NE1 TRP A 92 5.730 -11.736 4.078 1.00 14.31 N ATOM 1510 CE2 TRP A 92 6.744 -12.404 4.711 1.00 33.42 C ATOM 1511 CE3 TRP A 92 8.434 -11.941 6.373 1.00 43.11 C ATOM 1512 CZ2 TRP A 92 7.171 -13.723 4.579 1.00 33.04 C ATOM 1513 CZ3 TRP A 92 8.857 -13.250 6.241 1.00 33.01 C ATOM 1514 CH2 TRP A 92 8.227 -14.128 5.350 1.00 73.44 C ATOM 0 H TRP A 92 7.039 -6.854 7.455 1.00 14.11 H new ATOM 0 HA TRP A 92 4.917 -8.374 6.444 1.00 74.21 H new ATOM 0 HB2 TRP A 92 7.231 -8.205 5.507 1.00 54.50 H new ATOM 0 HB3 TRP A 92 7.834 -9.143 6.859 1.00 54.50 H new ATOM 0 HD1 TRP A 92 4.990 -9.688 4.213 1.00 21.22 H new ATOM 0 HE1 TRP A 92 5.105 -12.134 3.377 1.00 14.31 H new ATOM 0 HE3 TRP A 92 8.927 -11.271 7.062 1.00 43.11 H new ATOM 0 HZ2 TRP A 92 6.686 -14.402 3.893 1.00 33.04 H new ATOM 0 HZ3 TRP A 92 9.687 -13.602 6.835 1.00 33.01 H new ATOM 0 HH2 TRP A 92 8.582 -15.145 5.270 1.00 73.44 H new ATOM 1525 N LYS A 93 6.192 -9.472 9.264 1.00 51.00 N ATOM 1526 CA LYS A 93 5.981 -10.403 10.366 1.00 11.12 C ATOM 1527 C LYS A 93 4.618 -10.180 11.013 1.00 75.41 C ATOM 1528 O LYS A 93 3.899 -11.134 11.313 1.00 24.32 O ATOM 1529 CB LYS A 93 7.086 -10.245 11.413 1.00 12.52 C ATOM 1530 CG LYS A 93 8.487 -10.399 10.847 1.00 32.12 C ATOM 1531 CD LYS A 93 8.975 -11.834 10.951 1.00 71.31 C ATOM 1532 CE LYS A 93 9.162 -12.460 9.577 1.00 1.03 C ATOM 1533 NZ LYS A 93 10.425 -12.009 8.930 1.00 50.22 N ATOM 0 H LYS A 93 6.928 -8.785 9.428 1.00 51.00 H new ATOM 0 HA LYS A 93 6.012 -11.416 9.964 1.00 11.12 H new ATOM 0 HB2 LYS A 93 6.997 -9.263 11.878 1.00 12.52 H new ATOM 0 HB3 LYS A 93 6.938 -10.985 12.200 1.00 12.52 H new ATOM 0 HG2 LYS A 93 8.495 -10.086 9.803 1.00 32.12 H new ATOM 0 HG3 LYS A 93 9.171 -9.741 11.383 1.00 32.12 H new ATOM 0 HD2 LYS A 93 9.919 -11.860 11.495 1.00 71.31 H new ATOM 0 HD3 LYS A 93 8.259 -12.422 11.526 1.00 71.31 H new ATOM 0 HE2 LYS A 93 9.169 -13.546 9.671 1.00 1.03 H new ATOM 0 HE3 LYS A 93 8.315 -12.201 8.941 1.00 1.03 H new ATOM 0 HZ1 LYS A 93 10.249 -11.812 7.924 1.00 50.22 H new ATOM 0 HZ2 LYS A 93 10.765 -11.145 9.398 1.00 50.22 H new ATOM 0 HZ3 LYS A 93 11.144 -12.755 9.015 1.00 50.22 H new ATOM 1547 N ASP A 94 4.267 -8.917 11.223 1.00 13.50 N ATOM 1548 CA ASP A 94 2.988 -8.569 11.832 1.00 71.13 C ATOM 1549 C ASP A 94 1.828 -8.970 10.926 1.00 70.42 C ATOM 1550 O ASP A 94 0.774 -9.390 11.402 1.00 73.53 O ATOM 1551 CB ASP A 94 2.928 -7.069 12.123 1.00 44.31 C ATOM 1552 CG ASP A 94 1.533 -6.606 12.495 1.00 24.11 C ATOM 1553 OD1 ASP A 94 0.702 -6.434 11.580 1.00 51.03 O ATOM 1554 OD2 ASP A 94 1.273 -6.415 13.702 1.00 64.42 O ATOM 0 H ASP A 94 4.850 -8.116 10.981 1.00 13.50 H new ATOM 0 HA ASP A 94 2.900 -9.117 12.770 1.00 71.13 H new ATOM 0 HB2 ASP A 94 3.615 -6.832 12.935 1.00 44.31 H new ATOM 0 HB3 ASP A 94 3.269 -6.518 11.246 1.00 44.31 H new ATOM 1559 N GLN A 95 2.031 -8.837 9.619 1.00 13.30 N ATOM 1560 CA GLN A 95 1.001 -9.184 8.647 1.00 14.12 C ATOM 1561 C GLN A 95 0.841 -10.697 8.540 1.00 11.13 C ATOM 1562 O GLN A 95 -0.271 -11.206 8.395 1.00 62.41 O ATOM 1563 CB GLN A 95 1.344 -8.597 7.277 1.00 70.31 C ATOM 1564 CG GLN A 95 1.505 -7.086 7.285 1.00 3.33 C ATOM 1565 CD GLN A 95 2.507 -6.600 6.256 1.00 22.05 C ATOM 1566 OE1 GLN A 95 3.054 -7.389 5.485 1.00 2.31 O ATOM 1567 NE2 GLN A 95 2.753 -5.295 6.239 1.00 22.24 N ATOM 0 H GLN A 95 2.899 -8.492 9.209 1.00 13.30 H new ATOM 0 HA GLN A 95 0.057 -8.761 8.989 1.00 14.12 H new ATOM 0 HB2 GLN A 95 2.268 -9.050 6.918 1.00 70.31 H new ATOM 0 HB3 GLN A 95 0.560 -8.867 6.569 1.00 70.31 H new ATOM 0 HG2 GLN A 95 0.538 -6.620 7.093 1.00 3.33 H new ATOM 0 HG3 GLN A 95 1.823 -6.764 8.277 1.00 3.33 H new ATOM 0 HE21 GLN A 95 2.277 -4.678 6.897 1.00 22.24 H new ATOM 0 HE22 GLN A 95 3.418 -4.910 5.568 1.00 22.24 H new ATOM 1576 N THR A 96 1.959 -11.412 8.613 1.00 45.22 N ATOM 1577 CA THR A 96 1.944 -12.866 8.523 1.00 61.34 C ATOM 1578 C THR A 96 1.427 -13.492 9.813 1.00 40.20 C ATOM 1579 O THR A 96 0.614 -14.416 9.784 1.00 51.24 O ATOM 1580 CB THR A 96 3.347 -13.425 8.221 1.00 64.32 C ATOM 1581 OG1 THR A 96 4.329 -12.732 9.000 1.00 52.15 O ATOM 1582 CG2 THR A 96 3.677 -13.290 6.742 1.00 5.41 C ATOM 0 H THR A 96 2.887 -11.007 8.734 1.00 45.22 H new ATOM 0 HA THR A 96 1.274 -13.124 7.703 1.00 61.34 H new ATOM 0 HB THR A 96 3.357 -14.483 8.484 1.00 64.32 H new ATOM 0 HG1 THR A 96 4.620 -11.929 8.520 1.00 52.15 H new ATOM 0 HG21 THR A 96 4.673 -13.691 6.553 1.00 5.41 H new ATOM 0 HG22 THR A 96 2.945 -13.844 6.154 1.00 5.41 H new ATOM 0 HG23 THR A 96 3.650 -12.238 6.458 1.00 5.41 H new ATOM 1941 N PHE B -7 13.129 -13.771 11.887 1.00 52.15 N ATOM 1942 CA PHE B -7 14.301 -13.630 11.031 1.00 3.41 C ATOM 1943 C PHE B -7 15.286 -12.623 11.620 1.00 70.52 C ATOM 1944 O PHE B -7 16.324 -13.001 12.164 1.00 43.24 O ATOM 1945 CB PHE B -7 13.884 -13.190 9.626 1.00 11.43 C ATOM 1946 CG PHE B -7 13.226 -14.278 8.828 1.00 71.41 C ATOM 1947 CD1 PHE B -7 11.950 -14.714 9.146 1.00 55.01 C ATOM 1948 CD2 PHE B -7 13.883 -14.866 7.759 1.00 3.11 C ATOM 1949 CE1 PHE B -7 11.342 -15.716 8.413 1.00 22.33 C ATOM 1950 CE2 PHE B -7 13.281 -15.868 7.022 1.00 33.45 C ATOM 1951 CZ PHE B -7 12.008 -16.293 7.350 1.00 60.35 C ATOM 0 H1 PHE B -7 12.383 -14.281 11.373 1.00 52.15 H new ATOM 0 H2 PHE B -7 13.386 -14.304 12.742 1.00 52.15 H new ATOM 0 H3 PHE B -7 12.781 -12.829 12.157 1.00 52.15 H new ATOM 0 HA PHE B -7 14.793 -14.601 10.969 1.00 3.41 H new ATOM 0 HB2 PHE B -7 13.200 -12.345 9.707 1.00 11.43 H new ATOM 0 HB3 PHE B -7 14.764 -12.837 9.088 1.00 11.43 H new ATOM 0 HD1 PHE B -7 11.424 -14.266 9.976 1.00 55.01 H new ATOM 0 HD2 PHE B -7 14.878 -14.537 7.499 1.00 3.11 H new ATOM 0 HE1 PHE B -7 10.347 -16.047 8.672 1.00 22.33 H new ATOM 0 HE2 PHE B -7 13.805 -16.318 6.191 1.00 33.45 H new ATOM 0 HZ PHE B -7 11.534 -17.076 6.776 1.00 60.35 H new ATOM 1961 N ILE B -6 14.952 -11.342 11.506 1.00 23.44 N ATOM 1962 CA ILE B -6 15.806 -10.282 12.027 1.00 20.14 C ATOM 1963 C ILE B -6 17.241 -10.441 11.537 1.00 41.23 C ATOM 1964 O ILE B -6 18.109 -10.961 12.238 1.00 62.22 O ATOM 1965 CB ILE B -6 15.801 -10.261 13.567 1.00 23.13 C ATOM 1966 CG1 ILE B -6 14.366 -10.297 14.095 1.00 34.32 C ATOM 1967 CG2 ILE B -6 16.530 -9.029 14.082 1.00 11.15 C ATOM 1968 CD1 ILE B -6 13.512 -9.149 13.605 1.00 44.53 C ATOM 0 H ILE B -6 14.097 -11.013 11.058 1.00 23.44 H new ATOM 0 HA ILE B -6 15.401 -9.340 11.657 1.00 20.14 H new ATOM 0 HB ILE B -6 16.323 -11.146 13.929 1.00 23.13 H new ATOM 0 HG12 ILE B -6 13.902 -11.237 13.797 1.00 34.32 H new ATOM 0 HG13 ILE B -6 14.388 -10.283 15.185 1.00 34.32 H new ATOM 0 HG21 ILE B -6 16.518 -9.028 15.172 1.00 11.15 H new ATOM 0 HG22 ILE B -6 17.562 -9.043 13.730 1.00 11.15 H new ATOM 0 HG23 ILE B -6 16.033 -8.132 13.713 1.00 11.15 H new ATOM 0 HD11 ILE B -6 12.508 -9.240 14.019 1.00 44.53 H new ATOM 0 HD12 ILE B -6 13.953 -8.205 13.925 1.00 44.53 H new ATOM 0 HD13 ILE B -6 13.459 -9.174 12.517 1.00 44.53 H new ATOM 1980 N PRO B -5 17.499 -9.980 10.304 1.00 61.54 N ATOM 1981 CA PRO B -5 18.829 -10.058 9.692 1.00 41.20 C ATOM 1982 C PRO B -5 19.829 -9.119 10.358 1.00 51.31 C ATOM 1983 O PRO B -5 20.087 -8.021 9.865 1.00 13.52 O ATOM 1984 CB PRO B -5 18.579 -9.632 8.243 1.00 15.02 C ATOM 1985 CG PRO B -5 17.357 -8.781 8.304 1.00 31.52 C ATOM 1986 CD PRO B -5 16.512 -9.349 9.412 1.00 45.53 C ATOM 0 HA PRO B -5 19.264 -11.053 9.789 1.00 41.20 H new ATOM 0 HB2 PRO B -5 19.427 -9.078 7.841 1.00 15.02 H new ATOM 0 HB3 PRO B -5 18.428 -10.497 7.597 1.00 15.02 H new ATOM 0 HG2 PRO B -5 17.615 -7.741 8.504 1.00 31.52 H new ATOM 0 HG3 PRO B -5 16.821 -8.800 7.355 1.00 31.52 H new ATOM 0 HD2 PRO B -5 15.946 -8.571 9.925 1.00 45.53 H new ATOM 0 HD3 PRO B -5 15.790 -10.073 9.036 1.00 45.53 H new ATOM 1994 N SER B -4 20.390 -9.558 11.480 1.00 15.12 N ATOM 1995 CA SER B -4 21.359 -8.755 12.216 1.00 41.54 C ATOM 1996 C SER B -4 22.776 -9.022 11.717 1.00 20.33 C ATOM 1997 O SER B -4 23.746 -8.482 12.250 1.00 74.01 O ATOM 1998 CB SER B -4 21.268 -9.052 13.714 1.00 64.25 C ATOM 1999 OG SER B -4 22.182 -8.256 14.448 1.00 14.40 O ATOM 0 H SER B -4 20.190 -10.466 11.899 1.00 15.12 H new ATOM 0 HA SER B -4 21.125 -7.704 12.048 1.00 41.54 H new ATOM 0 HB2 SER B -4 20.253 -8.863 14.064 1.00 64.25 H new ATOM 0 HB3 SER B -4 21.475 -10.107 13.892 1.00 64.25 H new ATOM 0 HG SER B -4 23.023 -8.181 13.951 1.00 14.40 H new ATOM 2005 N ARG B -3 22.887 -9.860 10.692 1.00 62.42 N ATOM 2006 CA ARG B -3 24.185 -10.202 10.121 1.00 12.24 C ATOM 2007 C ARG B -3 24.986 -8.943 9.801 1.00 31.30 C ATOM 2008 O ARG B -3 24.448 -7.839 9.722 1.00 50.34 O ATOM 2009 CB ARG B -3 24.004 -11.041 8.855 1.00 42.51 C ATOM 2010 CG ARG B -3 24.274 -12.522 9.062 1.00 41.12 C ATOM 2011 CD ARG B -3 23.255 -13.148 10.000 1.00 34.23 C ATOM 2012 NE ARG B -3 23.663 -14.478 10.444 1.00 64.45 N ATOM 2013 CZ ARG B -3 23.499 -15.578 9.716 1.00 3.14 C ATOM 2014 NH1 ARG B -3 22.938 -15.506 8.517 1.00 22.13 N ATOM 2015 NH2 ARG B -3 23.897 -16.752 10.188 1.00 23.45 N ATOM 0 H ARG B -3 22.094 -10.315 10.240 1.00 62.42 H new ATOM 0 HA ARG B -3 24.737 -10.785 10.858 1.00 12.24 H new ATOM 0 HB2 ARG B -3 22.986 -10.914 8.488 1.00 42.51 H new ATOM 0 HB3 ARG B -3 24.672 -10.663 8.081 1.00 42.51 H new ATOM 0 HG2 ARG B -3 24.249 -13.035 8.101 1.00 41.12 H new ATOM 0 HG3 ARG B -3 25.276 -12.657 9.469 1.00 41.12 H new ATOM 0 HD2 ARG B -3 23.117 -12.503 10.868 1.00 34.23 H new ATOM 0 HD3 ARG B -3 22.291 -13.214 9.496 1.00 34.23 H new ATOM 0 HE ARG B -3 24.097 -14.568 11.363 1.00 64.45 H new ATOM 0 HH11 ARG B -3 22.631 -14.605 8.151 1.00 22.13 H new ATOM 0 HH12 ARG B -3 22.813 -16.352 7.961 1.00 22.13 H new ATOM 0 HH21 ARG B -3 24.329 -16.811 11.110 1.00 23.45 H new ATOM 0 HH22 ARG B -3 23.771 -17.596 9.629 1.00 23.45 H new ATOM 2029 N PRO B -2 26.303 -9.112 9.613 1.00 42.00 N ATOM 2030 CA PRO B -2 27.207 -8.001 9.298 1.00 34.24 C ATOM 2031 C PRO B -2 26.978 -7.447 7.896 1.00 31.42 C ATOM 2032 O PRO B -2 27.315 -6.299 7.610 1.00 51.03 O ATOM 2033 CB PRO B -2 28.597 -8.634 9.403 1.00 15.34 C ATOM 2034 CG PRO B -2 28.374 -10.083 9.140 1.00 41.04 C ATOM 2035 CD PRO B -2 27.012 -10.400 9.692 1.00 21.24 C ATOM 0 HA PRO B -2 27.059 -7.153 9.966 1.00 34.24 H new ATOM 0 HB2 PRO B -2 29.285 -8.201 8.677 1.00 15.34 H new ATOM 0 HB3 PRO B -2 29.032 -8.473 10.389 1.00 15.34 H new ATOM 0 HG2 PRO B -2 28.422 -10.298 8.072 1.00 41.04 H new ATOM 0 HG3 PRO B -2 29.141 -10.689 9.622 1.00 41.04 H new ATOM 0 HD2 PRO B -2 26.511 -11.171 9.107 1.00 21.24 H new ATOM 0 HD3 PRO B -2 27.069 -10.765 10.718 1.00 21.24 H new ATOM 2043 N ALA B -1 26.403 -8.271 7.026 1.00 31.11 N ATOM 2044 CA ALA B -1 26.127 -7.862 5.654 1.00 21.24 C ATOM 2045 C ALA B -1 27.419 -7.572 4.898 1.00 71.02 C ATOM 2046 O ALA B -1 27.925 -6.450 4.893 1.00 50.33 O ATOM 2047 CB ALA B -1 25.219 -6.641 5.640 1.00 22.31 C ATOM 0 H ALA B -1 26.119 -9.226 7.247 1.00 31.11 H new ATOM 0 HA ALA B -1 25.619 -8.684 5.150 1.00 21.24 H new ATOM 0 HB1 ALA B -1 25.021 -6.346 4.609 1.00 22.31 H new ATOM 0 HB2 ALA B -1 24.278 -6.881 6.136 1.00 22.31 H new ATOM 0 HB3 ALA B -1 25.706 -5.819 6.165 1.00 22.31 H new ATOM 2053 N PRO B 0 27.967 -8.606 4.243 1.00 22.41 N ATOM 2054 CA PRO B 0 29.208 -8.487 3.471 1.00 15.30 C ATOM 2055 C PRO B 0 29.025 -7.656 2.205 1.00 33.04 C ATOM 2056 O PRO B 0 27.909 -7.500 1.708 1.00 22.31 O ATOM 2057 CB PRO B 0 29.545 -9.937 3.115 1.00 50.31 C ATOM 2058 CG PRO B 0 28.236 -10.647 3.139 1.00 31.35 C ATOM 2059 CD PRO B 0 27.418 -9.972 4.206 1.00 63.32 C ATOM 0 HA PRO B 0 29.991 -7.979 4.034 1.00 15.30 H new ATOM 0 HB2 PRO B 0 30.014 -10.005 2.133 1.00 50.31 H new ATOM 0 HB3 PRO B 0 30.243 -10.369 3.832 1.00 50.31 H new ATOM 0 HG2 PRO B 0 27.741 -10.585 2.170 1.00 31.35 H new ATOM 0 HG3 PRO B 0 28.370 -11.706 3.361 1.00 31.35 H new ATOM 0 HD2 PRO B 0 26.356 -9.972 3.959 1.00 63.32 H new ATOM 0 HD3 PRO B 0 27.521 -10.473 5.169 1.00 63.32 H new ATOM 2067 N LYS B 1 30.127 -7.124 1.688 1.00 71.42 N ATOM 2068 CA LYS B 1 30.089 -6.311 0.479 1.00 44.44 C ATOM 2069 C LYS B 1 30.316 -7.169 -0.762 1.00 54.20 C ATOM 2070 O LYS B 1 31.000 -8.192 -0.722 1.00 52.54 O ATOM 2071 CB LYS B 1 31.148 -5.207 0.549 1.00 72.55 C ATOM 2072 CG LYS B 1 30.566 -3.805 0.541 1.00 53.45 C ATOM 2073 CD LYS B 1 31.228 -2.932 -0.512 1.00 43.12 C ATOM 2074 CE LYS B 1 32.040 -1.813 0.122 1.00 65.10 C ATOM 2075 NZ LYS B 1 32.604 -0.889 -0.900 1.00 41.34 N ATOM 0 H LYS B 1 31.058 -7.241 2.088 1.00 71.42 H new ATOM 0 HA LYS B 1 29.101 -5.856 0.408 1.00 44.44 H new ATOM 0 HB2 LYS B 1 31.740 -5.340 1.454 1.00 72.55 H new ATOM 0 HB3 LYS B 1 31.828 -5.314 -0.296 1.00 72.55 H new ATOM 0 HG2 LYS B 1 29.494 -3.856 0.351 1.00 53.45 H new ATOM 0 HG3 LYS B 1 30.694 -3.351 1.524 1.00 53.45 H new ATOM 0 HD2 LYS B 1 31.877 -3.544 -1.138 1.00 43.12 H new ATOM 0 HD3 LYS B 1 30.466 -2.505 -1.164 1.00 43.12 H new ATOM 0 HE2 LYS B 1 31.409 -1.251 0.810 1.00 65.10 H new ATOM 0 HE3 LYS B 1 32.851 -2.242 0.711 1.00 65.10 H new ATOM 0 HZ1 LYS B 1 33.272 -0.234 -0.445 1.00 41.34 H new ATOM 0 HZ2 LYS B 1 33.101 -1.439 -1.629 1.00 41.34 H new ATOM 0 HZ3 LYS B 1 31.834 -0.347 -1.341 1.00 41.34 H new ATOM 2089 N PRO B 2 29.729 -6.744 -1.891 1.00 64.22 N ATOM 2090 CA PRO B 2 29.855 -7.459 -3.165 1.00 53.31 C ATOM 2091 C PRO B 2 31.262 -7.367 -3.745 1.00 71.03 C ATOM 2092 O PRO B 2 32.084 -6.557 -3.317 1.00 25.43 O ATOM 2093 CB PRO B 2 28.854 -6.741 -4.074 1.00 73.12 C ATOM 2094 CG PRO B 2 28.731 -5.373 -3.497 1.00 61.11 C ATOM 2095 CD PRO B 2 28.900 -5.534 -2.012 1.00 14.35 C ATOM 0 HA PRO B 2 29.663 -8.526 -3.054 1.00 53.31 H new ATOM 0 HB2 PRO B 2 29.209 -6.706 -5.104 1.00 73.12 H new ATOM 0 HB3 PRO B 2 27.892 -7.253 -4.086 1.00 73.12 H new ATOM 0 HG2 PRO B 2 29.491 -4.707 -3.906 1.00 61.11 H new ATOM 0 HG3 PRO B 2 27.762 -4.935 -3.734 1.00 61.11 H new ATOM 0 HD2 PRO B 2 29.388 -4.667 -1.567 1.00 14.35 H new ATOM 0 HD3 PRO B 2 27.940 -5.653 -1.509 1.00 14.35 H new ATOM 2103 N PRO B 3 31.547 -8.215 -4.744 1.00 65.51 N ATOM 2104 CA PRO B 3 32.856 -8.248 -5.405 1.00 75.50 C ATOM 2105 C PRO B 3 33.107 -7.008 -6.256 1.00 34.22 C ATOM 2106 O PRO B 3 32.453 -6.803 -7.279 1.00 3.34 O ATOM 2107 CB PRO B 3 32.775 -9.496 -6.289 1.00 0.33 C ATOM 2108 CG PRO B 3 31.320 -9.685 -6.545 1.00 73.02 C ATOM 2109 CD PRO B 3 30.615 -9.208 -5.305 1.00 43.55 C ATOM 0 HA PRO B 3 33.675 -8.270 -4.686 1.00 75.50 H new ATOM 0 HB2 PRO B 3 33.326 -9.359 -7.219 1.00 0.33 H new ATOM 0 HB3 PRO B 3 33.205 -10.364 -5.789 1.00 0.33 H new ATOM 0 HG2 PRO B 3 31.001 -9.117 -7.418 1.00 73.02 H new ATOM 0 HG3 PRO B 3 31.092 -10.732 -6.745 1.00 73.02 H new ATOM 0 HD2 PRO B 3 29.647 -8.764 -5.538 1.00 43.55 H new ATOM 0 HD3 PRO B 3 30.431 -10.025 -4.608 1.00 43.55 H new