USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1002 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 54 THR OG1 : rot 48:sc= 0.598 USER MOD Set 1.2: A 56 THR OG1 : rot 85:sc= 0.0791 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00804 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 110:sc= 0.848 USER MOD Single : A 35 SER OG : rot -65:sc= 0.755 USER MOD Single : A 36 SER OG : rot 180:sc= -0.269 USER MOD Single : A 38 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 45 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -100:sc= -0.026 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 114:sc= 0.424 USER MOD Single : A 61 THR OG1 : rot 43:sc= 1.17 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 69 CYS SG : rot -8:sc= -0.125 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 147:sc= 0.426 USER MOD Single : A 77 ASN :FLIP amide:sc= -4.63! C(o=-6.5!,f=-4.6!) USER MOD Single : A 87 GLN : amide:sc= 0.0511 X(o=0.051,f=-0.36) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 95 ASN : amide:sc= -0.562 K(o=-0.56,f=-6.3!) USER MOD Single : A 102 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.64) USER MOD Single : A 108 SER OG : rot 29:sc= 0.215 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -158:sc= -0.0307 (180deg=-0.774) USER MOD Single : A 115 THR OG1 : rot 71:sc= 0.724 USER MOD Single : A 117 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.01) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN :FLIP amide:sc= -3.42! C(o=-4.5!,f=-3.4!) USER MOD Single : A 123 THR OG1 : rot -160:sc= -0.94 USER MOD Single : A 134 CYS SG : rot 180:sc= -0.334 USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PRO A 6 9.816 -1.483 3.275 1.00 21.20 N ATOM 69 CA PRO A 6 9.819 -1.771 4.712 1.00 35.33 C ATOM 70 C PRO A 6 10.378 -0.616 5.534 1.00 4.54 C ATOM 71 O PRO A 6 11.331 0.047 5.123 1.00 54.45 O ATOM 72 CB PRO A 6 10.727 -2.998 4.827 1.00 72.14 C ATOM 73 CG PRO A 6 11.623 -2.918 3.639 1.00 32.11 C ATOM 74 CD PRO A 6 10.803 -2.295 2.543 1.00 2.23 C ATOM 0 HA PRO A 6 8.812 -1.932 5.097 1.00 35.33 H new ATOM 0 HB2 PRO A 6 11.298 -2.983 5.755 1.00 72.14 H new ATOM 0 HB3 PRO A 6 10.147 -3.921 4.825 1.00 72.14 H new ATOM 0 HG2 PRO A 6 12.506 -2.317 3.856 1.00 32.11 H new ATOM 0 HG3 PRO A 6 11.975 -3.908 3.348 1.00 32.11 H new ATOM 0 HD2 PRO A 6 11.416 -1.683 1.881 1.00 2.23 H new ATOM 0 HD3 PRO A 6 10.321 -3.051 1.923 1.00 2.23 H new ATOM 82 N ARG A 7 9.782 -0.380 6.698 1.00 12.33 N ATOM 83 CA ARG A 7 10.221 0.697 7.578 1.00 61.03 C ATOM 84 C ARG A 7 9.742 0.461 9.007 1.00 55.40 C ATOM 85 O ARG A 7 8.545 0.528 9.291 1.00 64.44 O ATOM 86 CB ARG A 7 9.702 2.043 7.070 1.00 51.25 C ATOM 87 CG ARG A 7 10.701 3.178 7.223 1.00 52.51 C ATOM 88 CD ARG A 7 10.131 4.312 8.061 1.00 4.13 C ATOM 89 NE ARG A 7 10.819 5.576 7.812 1.00 52.33 N ATOM 90 CZ ARG A 7 10.721 6.636 8.607 1.00 22.53 C ATOM 91 NH1 ARG A 7 9.969 6.583 9.698 1.00 70.42 N ATOM 92 NH2 ARG A 7 11.377 7.751 8.313 1.00 64.41 N ATOM 0 H ARG A 7 8.993 -0.920 7.054 1.00 12.33 H new ATOM 0 HA ARG A 7 11.311 0.712 7.577 1.00 61.03 H new ATOM 0 HB2 ARG A 7 9.434 1.946 6.018 1.00 51.25 H new ATOM 0 HB3 ARG A 7 8.790 2.298 7.609 1.00 51.25 H new ATOM 0 HG2 ARG A 7 11.612 2.802 7.689 1.00 52.51 H new ATOM 0 HG3 ARG A 7 10.978 3.555 6.239 1.00 52.51 H new ATOM 0 HD2 ARG A 7 9.070 4.427 7.841 1.00 4.13 H new ATOM 0 HD3 ARG A 7 10.211 4.058 9.118 1.00 4.13 H new ATOM 0 HE ARG A 7 11.407 5.649 6.982 1.00 52.33 H new ATOM 0 HH11 ARG A 7 9.464 5.727 9.928 1.00 70.42 H new ATOM 0 HH12 ARG A 7 9.895 7.398 10.307 1.00 70.42 H new ATOM 0 HH21 ARG A 7 11.958 7.795 7.476 1.00 64.41 H new ATOM 0 HH22 ARG A 7 11.301 8.564 8.924 1.00 64.41 H new ATOM 106 N VAL A 8 10.683 0.186 9.904 1.00 61.42 N ATOM 107 CA VAL A 8 10.357 -0.059 11.304 1.00 63.43 C ATOM 108 C VAL A 8 9.623 1.129 11.913 1.00 11.52 C ATOM 109 O VAL A 8 10.110 2.259 11.874 1.00 32.02 O ATOM 110 CB VAL A 8 11.623 -0.347 12.133 1.00 43.53 C ATOM 111 CG1 VAL A 8 11.252 -0.781 13.542 1.00 33.31 C ATOM 112 CG2 VAL A 8 12.480 -1.402 11.449 1.00 55.43 C ATOM 0 H VAL A 8 11.678 0.127 9.686 1.00 61.42 H new ATOM 0 HA VAL A 8 9.708 -0.935 11.330 1.00 63.43 H new ATOM 0 HB VAL A 8 12.206 0.571 12.204 1.00 43.53 H new ATOM 0 HG11 VAL A 8 12.159 -0.980 14.112 1.00 33.31 H new ATOM 0 HG12 VAL A 8 10.684 0.011 14.029 1.00 33.31 H new ATOM 0 HG13 VAL A 8 10.646 -1.686 13.496 1.00 33.31 H new ATOM 0 HG21 VAL A 8 13.370 -1.593 12.049 1.00 55.43 H new ATOM 0 HG22 VAL A 8 11.908 -2.324 11.345 1.00 55.43 H new ATOM 0 HG23 VAL A 8 12.777 -1.046 10.462 1.00 55.43 H new ATOM 122 N MET A 9 8.448 0.867 12.476 1.00 22.35 N ATOM 123 CA MET A 9 7.647 1.916 13.096 1.00 33.44 C ATOM 124 C MET A 9 7.460 1.648 14.586 1.00 32.04 C ATOM 125 O MET A 9 7.515 2.567 15.403 1.00 15.52 O ATOM 126 CB MET A 9 6.283 2.018 12.410 1.00 44.32 C ATOM 127 CG MET A 9 5.816 3.449 12.198 1.00 41.13 C ATOM 128 SD MET A 9 5.308 4.249 13.732 1.00 63.41 S ATOM 129 CE MET A 9 3.526 4.125 13.604 1.00 0.14 C ATOM 0 H MET A 9 8.030 -0.062 12.516 1.00 22.35 H new ATOM 0 HA MET A 9 8.177 2.861 12.978 1.00 33.44 H new ATOM 0 HB2 MET A 9 6.332 1.514 11.445 1.00 44.32 H new ATOM 0 HB3 MET A 9 5.543 1.488 13.010 1.00 44.32 H new ATOM 0 HG2 MET A 9 6.620 4.026 11.741 1.00 41.13 H new ATOM 0 HG3 MET A 9 4.982 3.455 11.496 1.00 41.13 H new ATOM 0 HE1 MET A 9 3.066 4.578 14.482 1.00 0.14 H new ATOM 0 HE2 MET A 9 3.188 4.646 12.708 1.00 0.14 H new ATOM 0 HE3 MET A 9 3.238 3.076 13.544 1.00 0.14 H new ATOM 139 N ARG A 10 7.239 0.384 14.933 1.00 52.10 N ATOM 140 CA ARG A 10 7.042 -0.003 16.325 1.00 63.33 C ATOM 141 C ARG A 10 7.739 -1.328 16.624 1.00 51.51 C ATOM 142 O ARG A 10 7.893 -2.173 15.742 1.00 4.05 O ATOM 143 CB ARG A 10 5.549 -0.118 16.639 1.00 45.35 C ATOM 144 CG ARG A 10 4.761 1.141 16.317 1.00 3.51 C ATOM 145 CD ARG A 10 4.967 2.213 17.376 1.00 4.20 C ATOM 146 NE ARG A 10 4.053 3.338 17.201 1.00 12.43 N ATOM 147 CZ ARG A 10 3.754 4.199 18.168 1.00 52.43 C ATOM 148 NH1 ARG A 10 4.295 4.065 19.371 1.00 74.33 N ATOM 149 NH2 ARG A 10 2.913 5.198 17.931 1.00 34.03 N ATOM 0 H ARG A 10 7.192 -0.389 14.269 1.00 52.10 H new ATOM 0 HA ARG A 10 7.480 0.770 16.956 1.00 63.33 H new ATOM 0 HB2 ARG A 10 5.131 -0.952 16.076 1.00 45.35 H new ATOM 0 HB3 ARG A 10 5.426 -0.353 17.696 1.00 45.35 H new ATOM 0 HG2 ARG A 10 5.068 1.525 15.344 1.00 3.51 H new ATOM 0 HG3 ARG A 10 3.701 0.899 16.244 1.00 3.51 H new ATOM 0 HD2 ARG A 10 4.822 1.778 18.365 1.00 4.20 H new ATOM 0 HD3 ARG A 10 5.995 2.572 17.334 1.00 4.20 H new ATOM 0 HE ARG A 10 3.620 3.470 16.287 1.00 12.43 H new ATOM 0 HH11 ARG A 10 4.943 3.299 19.556 1.00 74.33 H new ATOM 0 HH12 ARG A 10 4.063 4.728 20.111 1.00 74.33 H new ATOM 0 HH21 ARG A 10 2.496 5.305 17.006 1.00 34.03 H new ATOM 0 HH22 ARG A 10 2.684 5.859 18.674 1.00 34.03 H new ATOM 163 N VAL A 11 8.158 -1.501 17.873 1.00 3.44 N ATOM 164 CA VAL A 11 8.838 -2.722 18.290 1.00 51.45 C ATOM 165 C VAL A 11 8.572 -3.025 19.760 1.00 41.32 C ATOM 166 O VAL A 11 8.566 -2.124 20.600 1.00 41.23 O ATOM 167 CB VAL A 11 10.358 -2.622 18.064 1.00 63.41 C ATOM 168 CG1 VAL A 11 11.051 -3.896 18.525 1.00 11.41 C ATOM 169 CG2 VAL A 11 10.662 -2.341 16.600 1.00 10.31 C ATOM 0 H VAL A 11 8.039 -0.811 18.615 1.00 3.44 H new ATOM 0 HA VAL A 11 8.440 -3.531 17.678 1.00 51.45 H new ATOM 0 HB VAL A 11 10.742 -1.792 18.657 1.00 63.41 H new ATOM 0 HG11 VAL A 11 12.124 -3.807 18.358 1.00 11.41 H new ATOM 0 HG12 VAL A 11 10.861 -4.050 19.587 1.00 11.41 H new ATOM 0 HG13 VAL A 11 10.665 -4.745 17.961 1.00 11.41 H new ATOM 0 HG21 VAL A 11 11.741 -2.274 16.459 1.00 10.31 H new ATOM 0 HG22 VAL A 11 10.265 -3.148 15.985 1.00 10.31 H new ATOM 0 HG23 VAL A 11 10.198 -1.399 16.306 1.00 10.31 H new ATOM 179 N LEU A 12 8.353 -4.299 20.065 1.00 11.10 N ATOM 180 CA LEU A 12 8.087 -4.722 21.435 1.00 33.54 C ATOM 181 C LEU A 12 8.739 -6.071 21.725 1.00 11.40 C ATOM 182 O LEU A 12 8.798 -6.943 20.858 1.00 74.24 O ATOM 183 CB LEU A 12 6.579 -4.809 21.679 1.00 22.55 C ATOM 184 CG LEU A 12 6.064 -4.129 22.949 1.00 63.45 C ATOM 185 CD1 LEU A 12 5.591 -2.717 22.643 1.00 74.04 C ATOM 186 CD2 LEU A 12 4.943 -4.946 23.574 1.00 21.20 C ATOM 0 H LEU A 12 8.354 -5.057 19.382 1.00 11.10 H new ATOM 0 HA LEU A 12 8.516 -3.980 22.108 1.00 33.54 H new ATOM 0 HB2 LEU A 12 6.067 -4.370 20.823 1.00 22.55 H new ATOM 0 HB3 LEU A 12 6.297 -5.861 21.714 1.00 22.55 H new ATOM 0 HG LEU A 12 6.884 -4.068 23.664 1.00 63.45 H new ATOM 0 HD11 LEU A 12 5.228 -2.249 23.558 1.00 74.04 H new ATOM 0 HD12 LEU A 12 6.420 -2.135 22.241 1.00 74.04 H new ATOM 0 HD13 LEU A 12 4.785 -2.754 21.910 1.00 74.04 H new ATOM 0 HD21 LEU A 12 4.589 -4.447 24.476 1.00 21.20 H new ATOM 0 HD22 LEU A 12 4.121 -5.039 22.864 1.00 21.20 H new ATOM 0 HD23 LEU A 12 5.315 -5.938 23.830 1.00 21.20 H new ATOM 198 N LEU A 13 9.226 -6.235 22.950 1.00 60.11 N ATOM 199 CA LEU A 13 9.872 -7.478 23.356 1.00 63.54 C ATOM 200 C LEU A 13 9.029 -8.219 24.388 1.00 14.03 C ATOM 201 O LEU A 13 8.763 -7.703 25.475 1.00 42.54 O ATOM 202 CB LEU A 13 11.262 -7.191 23.927 1.00 71.22 C ATOM 203 CG LEU A 13 11.360 -6.007 24.890 1.00 62.43 C ATOM 204 CD1 LEU A 13 12.394 -6.283 25.971 1.00 52.03 C ATOM 205 CD2 LEU A 13 11.703 -4.732 24.134 1.00 64.12 C ATOM 0 H LEU A 13 9.186 -5.523 23.679 1.00 60.11 H new ATOM 0 HA LEU A 13 9.972 -8.111 22.474 1.00 63.54 H new ATOM 0 HB2 LEU A 13 11.612 -8.084 24.444 1.00 71.22 H new ATOM 0 HB3 LEU A 13 11.945 -7.015 23.096 1.00 71.22 H new ATOM 0 HG LEU A 13 10.391 -5.871 25.369 1.00 62.43 H new ATOM 0 HD11 LEU A 13 12.450 -5.430 26.647 1.00 52.03 H new ATOM 0 HD12 LEU A 13 12.106 -7.172 26.532 1.00 52.03 H new ATOM 0 HD13 LEU A 13 13.368 -6.445 25.510 1.00 52.03 H new ATOM 0 HD21 LEU A 13 11.769 -3.900 24.835 1.00 64.12 H new ATOM 0 HD22 LEU A 13 12.660 -4.856 23.627 1.00 64.12 H new ATOM 0 HD23 LEU A 13 10.926 -4.526 23.398 1.00 64.12 H new ATOM 217 N LEU A 14 8.611 -9.432 24.044 1.00 64.14 N ATOM 218 CA LEU A 14 7.799 -10.246 24.942 1.00 43.23 C ATOM 219 C LEU A 14 8.677 -11.150 25.801 1.00 4.43 C ATOM 220 O LEU A 14 8.730 -11.003 27.022 1.00 40.44 O ATOM 221 CB LEU A 14 6.808 -11.091 24.140 1.00 64.41 C ATOM 222 CG LEU A 14 5.467 -10.431 23.821 1.00 14.21 C ATOM 223 CD1 LEU A 14 4.604 -11.355 22.976 1.00 32.55 C ATOM 224 CD2 LEU A 14 4.743 -10.047 25.104 1.00 41.04 C ATOM 0 H LEU A 14 8.821 -9.874 23.149 1.00 64.14 H new ATOM 0 HA LEU A 14 7.246 -9.576 25.600 1.00 43.23 H new ATOM 0 HB2 LEU A 14 7.282 -11.377 23.201 1.00 64.41 H new ATOM 0 HB3 LEU A 14 6.615 -12.011 24.693 1.00 64.41 H new ATOM 0 HG LEU A 14 5.658 -9.523 23.249 1.00 14.21 H new ATOM 0 HD11 LEU A 14 3.653 -10.868 22.759 1.00 32.55 H new ATOM 0 HD12 LEU A 14 5.118 -11.579 22.041 1.00 32.55 H new ATOM 0 HD13 LEU A 14 4.421 -12.281 23.521 1.00 32.55 H new ATOM 0 HD21 LEU A 14 3.790 -9.578 24.858 1.00 41.04 H new ATOM 0 HD22 LEU A 14 4.564 -10.940 25.702 1.00 41.04 H new ATOM 0 HD23 LEU A 14 5.356 -9.347 25.672 1.00 41.04 H new ATOM 236 N GLY A 15 9.368 -12.084 25.155 1.00 74.31 N ATOM 237 CA GLY A 15 10.236 -12.997 25.876 1.00 50.33 C ATOM 238 C GLY A 15 11.173 -12.277 26.825 1.00 0.02 C ATOM 239 O GLY A 15 12.051 -11.529 26.394 1.00 55.21 O ATOM 0 H GLY A 15 9.342 -12.225 24.145 1.00 74.31 H new ATOM 0 HA2 GLY A 15 9.627 -13.705 26.439 1.00 50.33 H new ATOM 0 HA3 GLY A 15 10.821 -13.577 25.162 1.00 50.33 H new ATOM 243 N ASP A 16 10.987 -12.501 28.121 1.00 34.51 N ATOM 244 CA ASP A 16 11.822 -11.868 29.135 1.00 60.12 C ATOM 245 C ASP A 16 12.988 -12.773 29.521 1.00 34.15 C ATOM 246 O ASP A 16 13.168 -13.849 28.950 1.00 3.51 O ATOM 247 CB ASP A 16 10.990 -11.530 30.373 1.00 4.40 C ATOM 248 CG ASP A 16 11.386 -10.203 30.991 1.00 31.02 C ATOM 249 OD1 ASP A 16 11.321 -9.176 30.283 1.00 21.45 O ATOM 250 OD2 ASP A 16 11.761 -10.192 32.182 1.00 2.45 O ATOM 0 H ASP A 16 10.265 -13.117 28.494 1.00 34.51 H new ATOM 0 HA ASP A 16 12.225 -10.946 28.715 1.00 60.12 H new ATOM 0 HB2 ASP A 16 9.935 -11.501 30.101 1.00 4.40 H new ATOM 0 HB3 ASP A 16 11.107 -12.322 31.113 1.00 4.40 H new ATOM 255 N VAL A 17 13.777 -12.330 30.495 1.00 51.22 N ATOM 256 CA VAL A 17 14.925 -13.099 30.958 1.00 24.41 C ATOM 257 C VAL A 17 14.529 -14.061 32.073 1.00 1.41 C ATOM 258 O VAL A 17 15.341 -14.865 32.531 1.00 55.32 O ATOM 259 CB VAL A 17 16.051 -12.178 31.465 1.00 33.12 C ATOM 260 CG1 VAL A 17 16.692 -11.430 30.306 1.00 34.02 C ATOM 261 CG2 VAL A 17 15.515 -11.207 32.506 1.00 1.14 C ATOM 0 H VAL A 17 13.642 -11.442 30.978 1.00 51.22 H new ATOM 0 HA VAL A 17 15.289 -13.669 30.103 1.00 24.41 H new ATOM 0 HB VAL A 17 16.817 -12.794 31.936 1.00 33.12 H new ATOM 0 HG11 VAL A 17 17.485 -10.785 30.684 1.00 34.02 H new ATOM 0 HG12 VAL A 17 17.112 -12.145 29.599 1.00 34.02 H new ATOM 0 HG13 VAL A 17 15.939 -10.823 29.803 1.00 34.02 H new ATOM 0 HG21 VAL A 17 16.323 -10.564 32.854 1.00 1.14 H new ATOM 0 HG22 VAL A 17 14.729 -10.595 32.062 1.00 1.14 H new ATOM 0 HG23 VAL A 17 15.108 -11.765 33.349 1.00 1.14 H new ATOM 271 N ALA A 18 13.276 -13.972 32.506 1.00 54.13 N ATOM 272 CA ALA A 18 12.770 -14.836 33.566 1.00 44.54 C ATOM 273 C ALA A 18 13.081 -16.300 33.275 1.00 11.04 C ATOM 274 O ALA A 18 13.580 -17.023 34.138 1.00 30.04 O ATOM 275 CB ALA A 18 11.272 -14.636 33.740 1.00 60.24 C ATOM 0 H ALA A 18 12.592 -13.310 32.139 1.00 54.13 H new ATOM 0 HA ALA A 18 13.271 -14.563 34.495 1.00 44.54 H new ATOM 0 HB1 ALA A 18 10.908 -15.287 34.535 1.00 60.24 H new ATOM 0 HB2 ALA A 18 11.072 -13.597 34.002 1.00 60.24 H new ATOM 0 HB3 ALA A 18 10.762 -14.880 32.808 1.00 60.24 H new ATOM 281 N THR A 19 12.782 -16.733 32.054 1.00 0.04 N ATOM 282 CA THR A 19 13.027 -18.112 31.651 1.00 5.30 C ATOM 283 C THR A 19 14.243 -18.209 30.737 1.00 42.15 C ATOM 284 O THR A 19 14.416 -19.195 30.019 1.00 23.45 O ATOM 285 CB THR A 19 11.806 -18.712 30.928 1.00 5.55 C ATOM 286 OG1 THR A 19 11.207 -17.726 30.080 1.00 73.42 O ATOM 287 CG2 THR A 19 10.780 -19.218 31.930 1.00 32.03 C ATOM 0 H THR A 19 12.370 -16.148 31.327 1.00 0.04 H new ATOM 0 HA THR A 19 13.214 -18.679 32.563 1.00 5.30 H new ATOM 0 HB THR A 19 12.145 -19.553 30.323 1.00 5.55 H new ATOM 0 HG1 THR A 19 10.433 -18.115 29.622 1.00 73.42 H new ATOM 0 HG21 THR A 19 9.927 -19.637 31.397 1.00 32.03 H new ATOM 0 HG22 THR A 19 11.231 -19.988 32.555 1.00 32.03 H new ATOM 0 HG23 THR A 19 10.446 -18.392 32.557 1.00 32.03 H new ATOM 295 N LEU A 20 15.084 -17.181 30.766 1.00 15.52 N ATOM 296 CA LEU A 20 16.285 -17.150 29.940 1.00 62.34 C ATOM 297 C LEU A 20 17.531 -16.956 30.797 1.00 24.14 C ATOM 298 O LEU A 20 18.047 -15.848 30.945 1.00 41.23 O ATOM 299 CB LEU A 20 16.187 -16.030 28.902 1.00 34.43 C ATOM 300 CG LEU A 20 16.690 -16.369 27.499 1.00 74.43 C ATOM 301 CD1 LEU A 20 15.830 -17.456 26.872 1.00 65.43 C ATOM 302 CD2 LEU A 20 16.703 -15.126 26.622 1.00 10.41 C ATOM 0 H LEU A 20 14.956 -16.357 31.354 1.00 15.52 H new ATOM 0 HA LEU A 20 16.366 -18.108 29.425 1.00 62.34 H new ATOM 0 HB2 LEU A 20 15.144 -15.721 28.828 1.00 34.43 H new ATOM 0 HB3 LEU A 20 16.748 -15.171 29.270 1.00 34.43 H new ATOM 0 HG LEU A 20 17.711 -16.743 27.581 1.00 74.43 H new ATOM 0 HD11 LEU A 20 16.203 -17.684 25.874 1.00 65.43 H new ATOM 0 HD12 LEU A 20 15.871 -18.354 27.489 1.00 65.43 H new ATOM 0 HD13 LEU A 20 14.799 -17.110 26.804 1.00 65.43 H new ATOM 0 HD21 LEU A 20 17.064 -15.386 25.627 1.00 10.41 H new ATOM 0 HD22 LEU A 20 15.693 -14.723 26.548 1.00 10.41 H new ATOM 0 HD23 LEU A 20 17.361 -14.377 27.062 1.00 10.41 H new ATOM 314 N PRO A 21 18.030 -18.059 31.376 1.00 14.21 N ATOM 315 CA PRO A 21 19.223 -18.036 32.227 1.00 62.02 C ATOM 316 C PRO A 21 20.495 -17.759 31.433 1.00 25.02 C ATOM 317 O PRO A 21 20.470 -17.689 30.204 1.00 73.33 O ATOM 318 CB PRO A 21 19.261 -19.445 32.823 1.00 71.42 C ATOM 319 CG PRO A 21 18.531 -20.293 31.838 1.00 1.35 C ATOM 320 CD PRO A 21 17.466 -19.413 31.244 1.00 3.10 C ATOM 0 HA PRO A 21 19.176 -17.244 32.974 1.00 62.02 H new ATOM 0 HB2 PRO A 21 20.286 -19.790 32.959 1.00 71.42 H new ATOM 0 HB3 PRO A 21 18.782 -19.474 33.802 1.00 71.42 H new ATOM 0 HG2 PRO A 21 19.206 -20.664 31.067 1.00 1.35 H new ATOM 0 HG3 PRO A 21 18.091 -21.164 32.323 1.00 1.35 H new ATOM 0 HD2 PRO A 21 17.270 -19.667 30.202 1.00 3.10 H new ATOM 0 HD3 PRO A 21 16.521 -19.509 31.779 1.00 3.10 H new ATOM 328 N LEU A 22 21.607 -17.602 32.143 1.00 64.31 N ATOM 329 CA LEU A 22 22.891 -17.333 31.504 1.00 21.33 C ATOM 330 C LEU A 22 23.203 -18.385 30.444 1.00 11.23 C ATOM 331 O LEU A 22 23.600 -18.055 29.327 1.00 62.04 O ATOM 332 CB LEU A 22 24.007 -17.301 32.550 1.00 13.25 C ATOM 333 CG LEU A 22 25.331 -16.682 32.101 1.00 73.21 C ATOM 334 CD1 LEU A 22 25.172 -15.186 31.876 1.00 20.52 C ATOM 335 CD2 LEU A 22 26.423 -16.957 33.125 1.00 54.33 C ATOM 0 H LEU A 22 21.646 -17.656 33.161 1.00 64.31 H new ATOM 0 HA LEU A 22 22.829 -16.360 31.017 1.00 21.33 H new ATOM 0 HB2 LEU A 22 23.647 -16.750 33.419 1.00 13.25 H new ATOM 0 HB3 LEU A 22 24.199 -18.323 32.878 1.00 13.25 H new ATOM 0 HG LEU A 22 25.623 -17.141 31.157 1.00 73.21 H new ATOM 0 HD11 LEU A 22 26.124 -14.763 31.557 1.00 20.52 H new ATOM 0 HD12 LEU A 22 24.421 -15.012 31.105 1.00 20.52 H new ATOM 0 HD13 LEU A 22 24.856 -14.710 32.804 1.00 20.52 H new ATOM 0 HD21 LEU A 22 27.358 -16.509 32.789 1.00 54.33 H new ATOM 0 HD22 LEU A 22 26.139 -16.526 34.085 1.00 54.33 H new ATOM 0 HD23 LEU A 22 26.555 -18.033 33.236 1.00 54.33 H new ATOM 347 N ARG A 23 23.018 -19.651 30.802 1.00 23.32 N ATOM 348 CA ARG A 23 23.279 -20.751 29.882 1.00 71.25 C ATOM 349 C ARG A 23 22.446 -20.606 28.611 1.00 32.14 C ATOM 350 O ARG A 23 22.971 -20.676 27.500 1.00 52.21 O ATOM 351 CB ARG A 23 22.973 -22.091 30.554 1.00 4.22 C ATOM 352 CG ARG A 23 23.851 -22.380 31.761 1.00 33.23 C ATOM 353 CD ARG A 23 25.020 -23.282 31.397 1.00 53.11 C ATOM 354 NE ARG A 23 25.898 -23.527 32.537 1.00 3.25 N ATOM 355 CZ ARG A 23 27.032 -24.214 32.458 1.00 60.45 C ATOM 356 NH1 ARG A 23 27.423 -24.722 31.297 1.00 72.12 N ATOM 357 NH2 ARG A 23 27.778 -24.395 33.540 1.00 13.12 N ATOM 0 H ARG A 23 22.688 -19.940 31.723 1.00 23.32 H new ATOM 0 HA ARG A 23 24.334 -20.721 29.611 1.00 71.25 H new ATOM 0 HB2 ARG A 23 21.928 -22.102 30.864 1.00 4.22 H new ATOM 0 HB3 ARG A 23 23.098 -22.891 29.824 1.00 4.22 H new ATOM 0 HG2 ARG A 23 24.227 -21.443 32.171 1.00 33.23 H new ATOM 0 HG3 ARG A 23 23.255 -22.853 32.541 1.00 33.23 H new ATOM 0 HD2 ARG A 23 24.641 -24.232 31.021 1.00 53.11 H new ATOM 0 HD3 ARG A 23 25.593 -22.825 30.590 1.00 53.11 H new ATOM 0 HE ARG A 23 25.626 -23.150 33.445 1.00 3.25 H new ATOM 0 HH11 ARG A 23 26.853 -24.585 30.463 1.00 72.12 H new ATOM 0 HH12 ARG A 23 28.294 -25.249 31.239 1.00 72.12 H new ATOM 0 HH21 ARG A 23 27.481 -24.006 34.435 1.00 13.12 H new ATOM 0 HH22 ARG A 23 28.648 -24.923 33.477 1.00 13.12 H new ATOM 371 N LYS A 24 21.144 -20.404 28.784 1.00 71.31 N ATOM 372 CA LYS A 24 20.237 -20.248 27.653 1.00 72.40 C ATOM 373 C LYS A 24 20.606 -19.022 26.824 1.00 24.41 C ATOM 374 O LYS A 24 20.906 -19.132 25.635 1.00 4.11 O ATOM 375 CB LYS A 24 18.792 -20.129 28.144 1.00 3.40 C ATOM 376 CG LYS A 24 17.767 -20.640 27.147 1.00 33.23 C ATOM 377 CD LYS A 24 17.763 -22.158 27.080 1.00 30.24 C ATOM 378 CE LYS A 24 16.709 -22.754 28.001 1.00 21.02 C ATOM 379 NZ LYS A 24 16.525 -24.212 27.763 1.00 22.51 N ATOM 0 H LYS A 24 20.693 -20.344 29.697 1.00 71.31 H new ATOM 0 HA LYS A 24 20.328 -21.132 27.022 1.00 72.40 H new ATOM 0 HB2 LYS A 24 18.687 -20.683 29.077 1.00 3.40 H new ATOM 0 HB3 LYS A 24 18.578 -19.084 28.369 1.00 3.40 H new ATOM 0 HG2 LYS A 24 16.776 -20.285 27.428 1.00 33.23 H new ATOM 0 HG3 LYS A 24 17.983 -20.232 26.160 1.00 33.23 H new ATOM 0 HD2 LYS A 24 17.575 -22.477 26.055 1.00 30.24 H new ATOM 0 HD3 LYS A 24 18.746 -22.538 27.357 1.00 30.24 H new ATOM 0 HE2 LYS A 24 16.999 -22.589 29.039 1.00 21.02 H new ATOM 0 HE3 LYS A 24 15.761 -22.239 27.849 1.00 21.02 H new ATOM 0 HZ1 LYS A 24 15.799 -24.580 28.410 1.00 22.51 H new ATOM 0 HZ2 LYS A 24 16.224 -24.368 26.780 1.00 22.51 H new ATOM 0 HZ3 LYS A 24 17.423 -24.708 27.933 1.00 22.51 H new ATOM 393 N VAL A 25 20.584 -17.855 27.460 1.00 60.13 N ATOM 394 CA VAL A 25 20.919 -16.609 26.782 1.00 43.25 C ATOM 395 C VAL A 25 22.256 -16.720 26.056 1.00 35.20 C ATOM 396 O VAL A 25 22.402 -16.253 24.926 1.00 52.32 O ATOM 397 CB VAL A 25 20.982 -15.430 27.771 1.00 33.44 C ATOM 398 CG1 VAL A 25 21.364 -14.147 27.050 1.00 14.33 C ATOM 399 CG2 VAL A 25 19.652 -15.271 28.493 1.00 4.35 C ATOM 0 H VAL A 25 20.338 -17.747 28.444 1.00 60.13 H new ATOM 0 HA VAL A 25 20.128 -16.422 26.056 1.00 43.25 H new ATOM 0 HB VAL A 25 21.751 -15.642 28.514 1.00 33.44 H new ATOM 0 HG11 VAL A 25 21.403 -13.326 27.765 1.00 14.33 H new ATOM 0 HG12 VAL A 25 22.342 -14.269 26.583 1.00 14.33 H new ATOM 0 HG13 VAL A 25 20.621 -13.925 26.284 1.00 14.33 H new ATOM 0 HG21 VAL A 25 19.713 -14.434 29.188 1.00 4.35 H new ATOM 0 HG22 VAL A 25 18.863 -15.081 27.765 1.00 4.35 H new ATOM 0 HG23 VAL A 25 19.426 -16.184 29.044 1.00 4.35 H new ATOM 409 N LEU A 26 23.229 -17.343 26.712 1.00 15.53 N ATOM 410 CA LEU A 26 24.555 -17.517 26.130 1.00 54.42 C ATOM 411 C LEU A 26 24.476 -18.296 24.821 1.00 24.31 C ATOM 412 O LEU A 26 24.842 -17.788 23.762 1.00 62.33 O ATOM 413 CB LEU A 26 25.474 -18.241 27.114 1.00 25.11 C ATOM 414 CG LEU A 26 26.174 -17.361 28.151 1.00 33.41 C ATOM 415 CD1 LEU A 26 26.926 -18.218 29.158 1.00 71.13 C ATOM 416 CD2 LEU A 26 27.119 -16.382 27.470 1.00 75.22 C ATOM 0 H LEU A 26 23.124 -17.736 27.647 1.00 15.53 H new ATOM 0 HA LEU A 26 24.966 -16.530 25.919 1.00 54.42 H new ATOM 0 HB2 LEU A 26 24.888 -18.993 27.642 1.00 25.11 H new ATOM 0 HB3 LEU A 26 26.236 -18.773 26.544 1.00 25.11 H new ATOM 0 HG LEU A 26 25.415 -16.790 28.686 1.00 33.41 H new ATOM 0 HD11 LEU A 26 27.418 -17.575 29.888 1.00 71.13 H new ATOM 0 HD12 LEU A 26 26.225 -18.878 29.670 1.00 71.13 H new ATOM 0 HD13 LEU A 26 27.675 -18.816 28.639 1.00 71.13 H new ATOM 0 HD21 LEU A 26 27.608 -15.764 28.223 1.00 75.22 H new ATOM 0 HD22 LEU A 26 27.873 -16.934 26.909 1.00 75.22 H new ATOM 0 HD23 LEU A 26 26.554 -15.745 26.789 1.00 75.22 H new ATOM 428 N ALA A 27 23.995 -19.532 24.903 1.00 62.53 N ATOM 429 CA ALA A 27 23.865 -20.381 23.724 1.00 12.35 C ATOM 430 C ALA A 27 22.989 -19.719 22.666 1.00 34.31 C ATOM 431 O ALA A 27 23.410 -19.533 21.524 1.00 31.44 O ATOM 432 CB ALA A 27 23.295 -21.737 24.111 1.00 21.44 C ATOM 0 H ALA A 27 23.689 -19.968 25.773 1.00 62.53 H new ATOM 0 HA ALA A 27 24.858 -20.525 23.298 1.00 12.35 H new ATOM 0 HB1 ALA A 27 23.203 -22.360 23.222 1.00 21.44 H new ATOM 0 HB2 ALA A 27 23.960 -22.221 24.826 1.00 21.44 H new ATOM 0 HB3 ALA A 27 22.312 -21.603 24.563 1.00 21.44 H new ATOM 438 N VAL A 28 21.767 -19.366 23.052 1.00 34.13 N ATOM 439 CA VAL A 28 20.831 -18.725 22.136 1.00 12.15 C ATOM 440 C VAL A 28 21.470 -17.522 21.451 1.00 74.31 C ATOM 441 O VAL A 28 21.741 -17.550 20.250 1.00 21.15 O ATOM 442 CB VAL A 28 19.555 -18.267 22.867 1.00 34.24 C ATOM 443 CG1 VAL A 28 18.612 -17.560 21.905 1.00 22.51 C ATOM 444 CG2 VAL A 28 18.866 -19.452 23.528 1.00 54.21 C ATOM 0 H VAL A 28 21.402 -19.513 23.993 1.00 34.13 H new ATOM 0 HA VAL A 28 20.564 -19.468 21.385 1.00 12.15 H new ATOM 0 HB VAL A 28 19.838 -17.559 23.646 1.00 34.24 H new ATOM 0 HG11 VAL A 28 17.716 -17.244 22.440 1.00 22.51 H new ATOM 0 HG12 VAL A 28 19.110 -16.687 21.483 1.00 22.51 H new ATOM 0 HG13 VAL A 28 18.333 -18.242 21.102 1.00 22.51 H new ATOM 0 HG21 VAL A 28 17.966 -19.111 24.040 1.00 54.21 H new ATOM 0 HG22 VAL A 28 18.595 -20.185 22.768 1.00 54.21 H new ATOM 0 HG23 VAL A 28 19.542 -19.910 24.250 1.00 54.21 H new ATOM 454 N VAL A 29 21.708 -16.466 22.222 1.00 70.00 N ATOM 455 CA VAL A 29 22.317 -15.253 21.690 1.00 52.22 C ATOM 456 C VAL A 29 23.586 -15.572 20.908 1.00 21.32 C ATOM 457 O VAL A 29 23.897 -14.918 19.914 1.00 52.30 O ATOM 458 CB VAL A 29 22.656 -14.256 22.814 1.00 43.34 C ATOM 459 CG1 VAL A 29 23.327 -13.016 22.243 1.00 41.43 C ATOM 460 CG2 VAL A 29 21.403 -13.884 23.592 1.00 42.33 C ATOM 0 H VAL A 29 21.488 -16.426 23.217 1.00 70.00 H new ATOM 0 HA VAL A 29 21.586 -14.799 21.020 1.00 52.22 H new ATOM 0 HB VAL A 29 23.354 -14.734 23.502 1.00 43.34 H new ATOM 0 HG11 VAL A 29 23.559 -12.323 23.052 1.00 41.43 H new ATOM 0 HG12 VAL A 29 24.248 -13.302 21.735 1.00 41.43 H new ATOM 0 HG13 VAL A 29 22.655 -12.533 21.533 1.00 41.43 H new ATOM 0 HG21 VAL A 29 21.661 -13.179 24.382 1.00 42.33 H new ATOM 0 HG22 VAL A 29 20.679 -13.425 22.918 1.00 42.33 H new ATOM 0 HG23 VAL A 29 20.969 -14.781 24.034 1.00 42.33 H new ATOM 470 N GLY A 30 24.317 -16.585 21.365 1.00 1.20 N ATOM 471 CA GLY A 30 25.545 -16.974 20.696 1.00 32.35 C ATOM 472 C GLY A 30 25.319 -17.361 19.248 1.00 31.14 C ATOM 473 O GLY A 30 25.662 -16.609 18.335 1.00 32.04 O ATOM 0 H GLY A 30 24.081 -17.143 22.186 1.00 1.20 H new ATOM 0 HA2 GLY A 30 26.257 -16.150 20.742 1.00 32.35 H new ATOM 0 HA3 GLY A 30 25.994 -17.813 21.227 1.00 32.35 H new ATOM 477 N THR A 31 24.741 -18.539 19.035 1.00 30.43 N ATOM 478 CA THR A 31 24.472 -19.026 17.688 1.00 23.42 C ATOM 479 C THR A 31 23.566 -18.066 16.927 1.00 51.11 C ATOM 480 O THR A 31 23.849 -17.704 15.785 1.00 33.12 O ATOM 481 CB THR A 31 23.817 -20.420 17.715 1.00 21.21 C ATOM 482 OG1 THR A 31 24.601 -21.315 18.513 1.00 15.51 O ATOM 483 CG2 THR A 31 23.677 -20.979 16.307 1.00 33.33 C ATOM 0 H THR A 31 24.450 -19.174 19.779 1.00 30.43 H new ATOM 0 HA THR A 31 25.433 -19.094 17.179 1.00 23.42 H new ATOM 0 HB THR A 31 22.823 -20.322 18.151 1.00 21.21 H new ATOM 0 HG1 THR A 31 24.119 -21.523 19.341 1.00 15.51 H new ATOM 0 HG21 THR A 31 23.212 -21.964 16.351 1.00 33.33 H new ATOM 0 HG22 THR A 31 23.056 -20.311 15.710 1.00 33.33 H new ATOM 0 HG23 THR A 31 24.663 -21.063 15.849 1.00 33.33 H new ATOM 491 N ALA A 32 22.476 -17.656 17.567 1.00 53.32 N ATOM 492 CA ALA A 32 21.529 -16.735 16.950 1.00 2.42 C ATOM 493 C ALA A 32 22.248 -15.538 16.336 1.00 21.04 C ATOM 494 O ALA A 32 22.161 -15.300 15.132 1.00 33.31 O ATOM 495 CB ALA A 32 20.504 -16.269 17.973 1.00 55.30 C ATOM 0 H ALA A 32 22.227 -17.947 18.512 1.00 53.32 H new ATOM 0 HA ALA A 32 21.013 -17.265 16.150 1.00 2.42 H new ATOM 0 HB1 ALA A 32 19.803 -15.582 17.499 1.00 55.30 H new ATOM 0 HB2 ALA A 32 19.961 -17.130 18.362 1.00 55.30 H new ATOM 0 HB3 ALA A 32 21.013 -15.761 18.792 1.00 55.30 H new ATOM 501 N ALA A 33 22.958 -14.787 17.172 1.00 30.44 N ATOM 502 CA ALA A 33 23.693 -13.616 16.711 1.00 31.22 C ATOM 503 C ALA A 33 24.675 -13.985 15.604 1.00 33.01 C ATOM 504 O ALA A 33 24.787 -13.281 14.601 1.00 3.55 O ATOM 505 CB ALA A 33 24.426 -12.962 17.873 1.00 51.11 C ATOM 0 H ALA A 33 23.039 -14.969 18.172 1.00 30.44 H new ATOM 0 HA ALA A 33 22.975 -12.905 16.302 1.00 31.22 H new ATOM 0 HB1 ALA A 33 24.971 -12.089 17.514 1.00 51.11 H new ATOM 0 HB2 ALA A 33 23.705 -12.654 18.631 1.00 51.11 H new ATOM 0 HB3 ALA A 33 25.128 -13.674 18.308 1.00 51.11 H new ATOM 511 N ALA A 34 25.384 -15.093 15.793 1.00 34.13 N ATOM 512 CA ALA A 34 26.355 -15.556 14.810 1.00 50.32 C ATOM 513 C ALA A 34 25.719 -15.686 13.430 1.00 63.41 C ATOM 514 O ALA A 34 26.400 -15.579 12.410 1.00 52.42 O ATOM 515 CB ALA A 34 26.955 -16.885 15.245 1.00 55.31 C ATOM 0 H ALA A 34 25.304 -15.687 16.618 1.00 34.13 H new ATOM 0 HA ALA A 34 27.152 -14.815 14.746 1.00 50.32 H new ATOM 0 HB1 ALA A 34 27.678 -17.218 14.501 1.00 55.31 H new ATOM 0 HB2 ALA A 34 27.454 -16.762 16.206 1.00 55.31 H new ATOM 0 HB3 ALA A 34 26.163 -17.628 15.340 1.00 55.31 H new ATOM 521 N SER A 35 24.411 -15.920 13.406 1.00 40.12 N ATOM 522 CA SER A 35 23.684 -16.070 12.150 1.00 4.04 C ATOM 523 C SER A 35 22.952 -14.781 11.789 1.00 32.34 C ATOM 524 O SER A 35 22.502 -14.606 10.657 1.00 32.41 O ATOM 525 CB SER A 35 22.688 -17.226 12.249 1.00 75.32 C ATOM 526 OG SER A 35 22.398 -17.536 13.601 1.00 60.41 O ATOM 0 H SER A 35 23.833 -16.010 14.241 1.00 40.12 H new ATOM 0 HA SER A 35 24.406 -16.289 11.364 1.00 4.04 H new ATOM 0 HB2 SER A 35 21.768 -16.963 11.728 1.00 75.32 H new ATOM 0 HB3 SER A 35 23.096 -18.105 11.751 1.00 75.32 H new ATOM 0 HG SER A 35 23.208 -17.869 14.041 1.00 60.41 H new ATOM 532 N SER A 36 22.836 -13.882 12.761 1.00 1.31 N ATOM 533 CA SER A 36 22.155 -12.610 12.548 1.00 31.13 C ATOM 534 C SER A 36 22.838 -11.806 11.447 1.00 40.44 C ATOM 535 O SER A 36 23.988 -11.392 11.588 1.00 1.34 O ATOM 536 CB SER A 36 22.127 -11.799 13.845 1.00 2.02 C ATOM 537 OG SER A 36 21.521 -10.534 13.643 1.00 71.21 O ATOM 0 H SER A 36 23.205 -14.011 13.703 1.00 1.31 H new ATOM 0 HA SER A 36 21.132 -12.821 12.238 1.00 31.13 H new ATOM 0 HB2 SER A 36 21.580 -12.350 14.610 1.00 2.02 H new ATOM 0 HB3 SER A 36 23.143 -11.664 14.215 1.00 2.02 H new ATOM 0 HG SER A 36 21.514 -10.036 14.487 1.00 71.21 H new ATOM 543 N GLU A 37 22.120 -11.589 10.349 1.00 41.21 N ATOM 544 CA GLU A 37 22.657 -10.835 9.222 1.00 2.22 C ATOM 545 C GLU A 37 22.623 -9.336 9.505 1.00 3.32 C ATOM 546 O GLU A 37 23.253 -8.545 8.801 1.00 20.35 O ATOM 547 CB GLU A 37 21.865 -11.143 7.950 1.00 41.22 C ATOM 548 CG GLU A 37 20.493 -10.490 7.914 1.00 65.12 C ATOM 549 CD GLU A 37 19.640 -10.990 6.764 1.00 12.54 C ATOM 550 OE1 GLU A 37 19.895 -10.579 5.613 1.00 61.40 O ATOM 551 OE2 GLU A 37 18.716 -11.791 7.017 1.00 20.20 O ATOM 0 H GLU A 37 21.166 -11.924 10.216 1.00 41.21 H new ATOM 0 HA GLU A 37 23.694 -11.137 9.077 1.00 2.22 H new ATOM 0 HB2 GLU A 37 22.439 -10.811 7.085 1.00 41.22 H new ATOM 0 HB3 GLU A 37 21.747 -12.223 7.858 1.00 41.22 H new ATOM 0 HG2 GLU A 37 19.978 -10.683 8.855 1.00 65.12 H new ATOM 0 HG3 GLU A 37 20.611 -9.410 7.831 1.00 65.12 H new ATOM 558 N HIS A 38 21.883 -8.951 10.540 1.00 21.43 N ATOM 559 CA HIS A 38 21.766 -7.547 10.917 1.00 24.12 C ATOM 560 C HIS A 38 23.144 -6.908 11.064 1.00 12.22 C ATOM 561 O HIS A 38 24.157 -7.589 11.222 1.00 45.34 O ATOM 562 CB HIS A 38 20.986 -7.411 12.225 1.00 21.51 C ATOM 563 CG HIS A 38 19.539 -7.081 12.027 1.00 33.04 C ATOM 564 ND1 HIS A 38 18.865 -6.158 12.799 1.00 44.50 N ATOM 565 CD2 HIS A 38 18.636 -7.556 11.138 1.00 53.42 C ATOM 566 CE1 HIS A 38 17.611 -6.080 12.394 1.00 55.34 C ATOM 567 NE2 HIS A 38 17.445 -6.918 11.386 1.00 3.22 N ATOM 0 H HIS A 38 21.355 -9.592 11.133 1.00 21.43 H new ATOM 0 HA HIS A 38 21.226 -7.028 10.125 1.00 24.12 H new ATOM 0 HB2 HIS A 38 21.064 -8.343 12.784 1.00 21.51 H new ATOM 0 HB3 HIS A 38 21.447 -6.634 12.835 1.00 21.51 H new ATOM 0 HD2 HIS A 38 18.818 -8.299 10.375 1.00 53.42 H new ATOM 0 HE1 HIS A 38 16.850 -5.440 12.815 1.00 55.34 H new ATOM 0 HE2 HIS A 38 16.575 -7.067 10.875 1.00 3.22 H new ATOM 575 N PRO A 39 23.184 -5.568 11.011 1.00 32.13 N ATOM 576 CA PRO A 39 24.431 -4.808 11.136 1.00 12.22 C ATOM 577 C PRO A 39 25.007 -4.867 12.547 1.00 51.12 C ATOM 578 O PRO A 39 26.116 -4.393 12.796 1.00 43.11 O ATOM 579 CB PRO A 39 24.010 -3.377 10.790 1.00 63.31 C ATOM 580 CG PRO A 39 22.558 -3.320 11.115 1.00 74.32 C ATOM 581 CD PRO A 39 22.015 -4.692 10.826 1.00 75.52 C ATOM 0 HA PRO A 39 25.216 -5.204 10.492 1.00 12.22 H new ATOM 0 HB2 PRO A 39 24.574 -2.647 11.370 1.00 63.31 H new ATOM 0 HB3 PRO A 39 24.189 -3.155 9.738 1.00 63.31 H new ATOM 0 HG2 PRO A 39 22.402 -3.051 12.160 1.00 74.32 H new ATOM 0 HG3 PRO A 39 22.053 -2.565 10.512 1.00 74.32 H new ATOM 0 HD2 PRO A 39 21.205 -4.955 11.506 1.00 75.52 H new ATOM 0 HD3 PRO A 39 21.617 -4.762 9.814 1.00 75.52 H new ATOM 589 N LEU A 40 24.248 -5.452 13.467 1.00 53.42 N ATOM 590 CA LEU A 40 24.683 -5.573 14.854 1.00 63.32 C ATOM 591 C LEU A 40 25.171 -6.988 15.149 1.00 33.12 C ATOM 592 O LEU A 40 25.587 -7.292 16.266 1.00 10.44 O ATOM 593 CB LEU A 40 23.540 -5.207 15.802 1.00 3.10 C ATOM 594 CG LEU A 40 23.334 -3.714 16.060 1.00 43.25 C ATOM 595 CD1 LEU A 40 21.994 -3.469 16.734 1.00 13.53 C ATOM 596 CD2 LEU A 40 24.470 -3.157 16.906 1.00 35.03 C ATOM 0 H LEU A 40 23.328 -5.850 13.277 1.00 53.42 H new ATOM 0 HA LEU A 40 25.511 -4.882 15.011 1.00 63.32 H new ATOM 0 HB2 LEU A 40 22.614 -5.617 15.398 1.00 3.10 H new ATOM 0 HB3 LEU A 40 23.716 -5.700 16.758 1.00 3.10 H new ATOM 0 HG LEU A 40 23.335 -3.195 15.101 1.00 43.25 H new ATOM 0 HD11 LEU A 40 21.865 -2.401 16.910 1.00 13.53 H new ATOM 0 HD12 LEU A 40 21.192 -3.830 16.091 1.00 13.53 H new ATOM 0 HD13 LEU A 40 21.963 -4.000 17.686 1.00 13.53 H new ATOM 0 HD21 LEU A 40 24.307 -2.093 17.080 1.00 35.03 H new ATOM 0 HD22 LEU A 40 24.502 -3.680 17.862 1.00 35.03 H new ATOM 0 HD23 LEU A 40 25.416 -3.298 16.383 1.00 35.03 H new ATOM 608 N GLY A 41 25.118 -7.850 14.138 1.00 33.33 N ATOM 609 CA GLY A 41 25.559 -9.222 14.309 1.00 34.24 C ATOM 610 C GLY A 41 26.969 -9.314 14.856 1.00 4.24 C ATOM 611 O GLY A 41 27.207 -9.962 15.875 1.00 22.53 O ATOM 0 H GLY A 41 24.778 -7.623 13.204 1.00 33.33 H new ATOM 0 HA2 GLY A 41 24.876 -9.738 14.984 1.00 34.24 H new ATOM 0 HA3 GLY A 41 25.510 -9.738 13.350 1.00 34.24 H new ATOM 615 N VAL A 42 27.909 -8.664 14.177 1.00 2.22 N ATOM 616 CA VAL A 42 29.304 -8.675 14.601 1.00 63.14 C ATOM 617 C VAL A 42 29.438 -8.262 16.062 1.00 65.11 C ATOM 618 O VAL A 42 30.226 -8.839 16.811 1.00 62.12 O ATOM 619 CB VAL A 42 30.162 -7.736 13.732 1.00 10.32 C ATOM 620 CG1 VAL A 42 30.318 -8.300 12.328 1.00 13.12 C ATOM 621 CG2 VAL A 42 29.551 -6.343 13.691 1.00 22.03 C ATOM 0 H VAL A 42 27.730 -8.123 13.331 1.00 2.22 H new ATOM 0 HA VAL A 42 29.663 -9.697 14.482 1.00 63.14 H new ATOM 0 HB VAL A 42 31.153 -7.661 14.179 1.00 10.32 H new ATOM 0 HG11 VAL A 42 30.927 -7.623 11.729 1.00 13.12 H new ATOM 0 HG12 VAL A 42 30.803 -9.275 12.379 1.00 13.12 H new ATOM 0 HG13 VAL A 42 29.336 -8.407 11.868 1.00 13.12 H new ATOM 0 HG21 VAL A 42 30.170 -5.692 13.073 1.00 22.03 H new ATOM 0 HG22 VAL A 42 28.548 -6.398 13.269 1.00 22.03 H new ATOM 0 HG23 VAL A 42 29.497 -5.939 14.702 1.00 22.03 H new ATOM 631 N ALA A 43 28.663 -7.259 16.461 1.00 21.22 N ATOM 632 CA ALA A 43 28.693 -6.770 17.834 1.00 23.20 C ATOM 633 C ALA A 43 28.234 -7.847 18.811 1.00 73.33 C ATOM 634 O ALA A 43 29.012 -8.323 19.637 1.00 0.04 O ATOM 635 CB ALA A 43 27.827 -5.527 17.970 1.00 10.25 C ATOM 0 H ALA A 43 28.007 -6.769 15.853 1.00 21.22 H new ATOM 0 HA ALA A 43 29.723 -6.510 18.079 1.00 23.20 H new ATOM 0 HB1 ALA A 43 27.859 -5.173 19.000 1.00 10.25 H new ATOM 0 HB2 ALA A 43 28.202 -4.748 17.307 1.00 10.25 H new ATOM 0 HB3 ALA A 43 26.799 -5.769 17.701 1.00 10.25 H new ATOM 641 N VAL A 44 26.964 -8.228 18.711 1.00 51.44 N ATOM 642 CA VAL A 44 26.401 -9.249 19.585 1.00 35.12 C ATOM 643 C VAL A 44 27.262 -10.507 19.586 1.00 34.25 C ATOM 644 O VAL A 44 27.489 -11.117 20.632 1.00 4.20 O ATOM 645 CB VAL A 44 24.967 -9.622 19.162 1.00 1.24 C ATOM 646 CG1 VAL A 44 24.379 -10.650 20.116 1.00 22.43 C ATOM 647 CG2 VAL A 44 24.091 -8.380 19.098 1.00 1.24 C ATOM 0 H VAL A 44 26.306 -7.844 18.033 1.00 51.44 H new ATOM 0 HA VAL A 44 26.377 -8.827 20.590 1.00 35.12 H new ATOM 0 HB VAL A 44 25.004 -10.065 18.167 1.00 1.24 H new ATOM 0 HG11 VAL A 44 23.366 -10.901 19.801 1.00 22.43 H new ATOM 0 HG12 VAL A 44 24.995 -11.549 20.107 1.00 22.43 H new ATOM 0 HG13 VAL A 44 24.354 -10.238 21.125 1.00 22.43 H new ATOM 0 HG21 VAL A 44 23.082 -8.662 18.798 1.00 1.24 H new ATOM 0 HG22 VAL A 44 24.059 -7.906 20.079 1.00 1.24 H new ATOM 0 HG23 VAL A 44 24.504 -7.681 18.371 1.00 1.24 H new ATOM 657 N THR A 45 27.739 -10.892 18.407 1.00 45.00 N ATOM 658 CA THR A 45 28.575 -12.078 18.271 1.00 24.10 C ATOM 659 C THR A 45 29.834 -11.965 19.124 1.00 14.32 C ATOM 660 O THR A 45 30.123 -12.839 19.942 1.00 51.52 O ATOM 661 CB THR A 45 28.983 -12.313 16.804 1.00 32.13 C ATOM 662 OG1 THR A 45 27.816 -12.494 15.995 1.00 52.04 O ATOM 663 CG2 THR A 45 29.885 -13.532 16.682 1.00 41.21 C ATOM 0 H THR A 45 27.561 -10.399 17.532 1.00 45.00 H new ATOM 0 HA THR A 45 27.980 -12.924 18.616 1.00 24.10 H new ATOM 0 HB THR A 45 29.533 -11.438 16.458 1.00 32.13 H new ATOM 0 HG1 THR A 45 27.559 -11.637 15.595 1.00 52.04 H new ATOM 0 HG21 THR A 45 30.160 -13.678 15.637 1.00 41.21 H new ATOM 0 HG22 THR A 45 30.786 -13.379 17.276 1.00 41.21 H new ATOM 0 HG23 THR A 45 29.356 -14.414 17.045 1.00 41.21 H new ATOM 671 N LYS A 46 30.579 -10.882 18.930 1.00 62.35 N ATOM 672 CA LYS A 46 31.806 -10.652 19.682 1.00 25.54 C ATOM 673 C LYS A 46 31.541 -10.703 21.184 1.00 43.23 C ATOM 674 O LYS A 46 32.208 -11.433 21.917 1.00 33.44 O ATOM 675 CB LYS A 46 32.414 -9.299 19.306 1.00 21.23 C ATOM 676 CG LYS A 46 33.324 -9.358 18.092 1.00 42.34 C ATOM 677 CD LYS A 46 34.478 -8.376 18.212 1.00 60.34 C ATOM 678 CE LYS A 46 35.675 -9.006 18.907 1.00 2.11 C ATOM 679 NZ LYS A 46 36.124 -8.200 20.076 1.00 21.55 N ATOM 0 H LYS A 46 30.354 -10.149 18.257 1.00 62.35 H new ATOM 0 HA LYS A 46 32.512 -11.443 19.428 1.00 25.54 H new ATOM 0 HB2 LYS A 46 31.609 -8.590 19.112 1.00 21.23 H new ATOM 0 HB3 LYS A 46 32.979 -8.916 20.155 1.00 21.23 H new ATOM 0 HG2 LYS A 46 33.716 -10.369 17.978 1.00 42.34 H new ATOM 0 HG3 LYS A 46 32.748 -9.136 17.193 1.00 42.34 H new ATOM 0 HD2 LYS A 46 34.771 -8.034 17.219 1.00 60.34 H new ATOM 0 HD3 LYS A 46 34.153 -7.497 18.769 1.00 60.34 H new ATOM 0 HE2 LYS A 46 35.415 -10.012 19.237 1.00 2.11 H new ATOM 0 HE3 LYS A 46 36.496 -9.106 18.197 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 36.942 -8.662 20.523 1.00 21.55 H new ATOM 0 HZ2 LYS A 46 36.396 -7.248 19.757 1.00 21.55 H new ATOM 0 HZ3 LYS A 46 35.349 -8.126 20.765 1.00 21.55 H new ATOM 693 N TYR A 47 30.564 -9.924 21.634 1.00 41.34 N ATOM 694 CA TYR A 47 30.212 -9.879 23.048 1.00 73.13 C ATOM 695 C TYR A 47 29.954 -11.282 23.589 1.00 11.14 C ATOM 696 O TYR A 47 30.643 -11.745 24.499 1.00 2.52 O ATOM 697 CB TYR A 47 28.976 -9.003 23.260 1.00 73.45 C ATOM 698 CG TYR A 47 29.164 -7.935 24.313 1.00 52.13 C ATOM 699 CD1 TYR A 47 29.804 -8.220 25.513 1.00 50.14 C ATOM 700 CD2 TYR A 47 28.701 -6.641 24.109 1.00 72.04 C ATOM 701 CE1 TYR A 47 29.978 -7.247 26.478 1.00 34.11 C ATOM 702 CE2 TYR A 47 28.871 -5.662 25.068 1.00 43.33 C ATOM 703 CZ TYR A 47 29.510 -5.970 26.251 1.00 41.42 C ATOM 704 OH TYR A 47 29.681 -4.997 27.209 1.00 34.24 O ATOM 0 H TYR A 47 30.002 -9.315 21.040 1.00 41.34 H new ATOM 0 HA TYR A 47 31.052 -9.448 23.592 1.00 73.13 H new ATOM 0 HB2 TYR A 47 28.712 -8.527 22.315 1.00 73.45 H new ATOM 0 HB3 TYR A 47 28.136 -9.637 23.544 1.00 73.45 H new ATOM 0 HD1 TYR A 47 30.172 -9.219 25.694 1.00 50.14 H new ATOM 0 HD2 TYR A 47 28.199 -6.397 23.184 1.00 72.04 H new ATOM 0 HE1 TYR A 47 30.478 -7.485 27.405 1.00 34.11 H new ATOM 0 HE2 TYR A 47 28.506 -4.661 24.893 1.00 43.33 H new ATOM 0 HH TYR A 47 29.295 -4.154 26.892 1.00 34.24 H new ATOM 714 N CYS A 48 28.957 -11.953 23.023 1.00 23.33 N ATOM 715 CA CYS A 48 28.607 -13.304 23.448 1.00 12.13 C ATOM 716 C CYS A 48 29.824 -14.222 23.401 1.00 11.22 C ATOM 717 O CYS A 48 30.004 -15.077 24.268 1.00 24.13 O ATOM 718 CB CYS A 48 27.494 -13.867 22.563 1.00 12.32 C ATOM 719 SG CYS A 48 26.344 -14.961 23.429 1.00 11.33 S ATOM 0 H CYS A 48 28.377 -11.584 22.269 1.00 23.33 H new ATOM 0 HA CYS A 48 28.253 -13.254 24.478 1.00 12.13 H new ATOM 0 HB2 CYS A 48 26.934 -13.038 22.131 1.00 12.32 H new ATOM 0 HB3 CYS A 48 27.945 -14.414 21.735 1.00 12.32 H new ATOM 0 HG CYS A 48 26.654 -16.199 23.182 1.00 11.33 H new ATOM 725 N LYS A 49 30.656 -14.040 22.382 1.00 63.03 N ATOM 726 CA LYS A 49 31.857 -14.851 22.220 1.00 70.35 C ATOM 727 C LYS A 49 32.806 -14.660 23.398 1.00 2.10 C ATOM 728 O LYS A 49 33.435 -15.611 23.861 1.00 74.33 O ATOM 729 CB LYS A 49 32.569 -14.490 20.914 1.00 72.33 C ATOM 730 CG LYS A 49 33.902 -15.195 20.733 1.00 72.54 C ATOM 731 CD LYS A 49 34.242 -15.376 19.263 1.00 71.22 C ATOM 732 CE LYS A 49 35.109 -14.238 18.747 1.00 24.04 C ATOM 733 NZ LYS A 49 36.558 -14.579 18.795 1.00 21.35 N ATOM 0 H LYS A 49 30.521 -13.337 21.655 1.00 63.03 H new ATOM 0 HA LYS A 49 31.556 -15.898 22.185 1.00 70.35 H new ATOM 0 HB2 LYS A 49 31.919 -14.739 20.075 1.00 72.33 H new ATOM 0 HB3 LYS A 49 32.730 -13.412 20.884 1.00 72.33 H new ATOM 0 HG2 LYS A 49 34.688 -14.619 21.221 1.00 72.54 H new ATOM 0 HG3 LYS A 49 33.869 -16.168 21.222 1.00 72.54 H new ATOM 0 HD2 LYS A 49 34.762 -16.324 19.123 1.00 71.22 H new ATOM 0 HD3 LYS A 49 33.323 -15.428 18.680 1.00 71.22 H new ATOM 0 HE2 LYS A 49 34.825 -14.002 17.721 1.00 24.04 H new ATOM 0 HE3 LYS A 49 34.926 -13.344 19.343 1.00 24.04 H new ATOM 0 HZ1 LYS A 49 37.115 -13.778 18.435 1.00 21.35 H new ATOM 0 HZ2 LYS A 49 36.835 -14.780 19.777 1.00 21.35 H new ATOM 0 HZ3 LYS A 49 36.737 -15.417 18.206 1.00 21.35 H new ATOM 747 N GLU A 50 32.904 -13.424 23.879 1.00 33.41 N ATOM 748 CA GLU A 50 33.776 -13.110 25.004 1.00 22.24 C ATOM 749 C GLU A 50 33.139 -13.539 26.323 1.00 23.11 C ATOM 750 O GLU A 50 33.836 -13.832 27.294 1.00 43.11 O ATOM 751 CB GLU A 50 34.083 -11.612 25.037 1.00 2.54 C ATOM 752 CG GLU A 50 35.184 -11.237 26.016 1.00 34.10 C ATOM 753 CD GLU A 50 35.644 -9.801 25.855 1.00 33.21 C ATOM 754 OE1 GLU A 50 35.668 -9.312 24.706 1.00 10.01 O ATOM 755 OE2 GLU A 50 35.979 -9.167 26.877 1.00 65.01 O ATOM 0 H GLU A 50 32.391 -12.625 23.507 1.00 33.41 H new ATOM 0 HA GLU A 50 34.707 -13.662 24.874 1.00 22.24 H new ATOM 0 HB2 GLU A 50 34.371 -11.287 24.037 1.00 2.54 H new ATOM 0 HB3 GLU A 50 33.175 -11.069 25.299 1.00 2.54 H new ATOM 0 HG2 GLU A 50 34.826 -11.388 27.034 1.00 34.10 H new ATOM 0 HG3 GLU A 50 36.034 -11.905 25.874 1.00 34.10 H new ATOM 762 N GLU A 51 31.811 -13.573 26.348 1.00 15.35 N ATOM 763 CA GLU A 51 31.080 -13.964 27.548 1.00 32.31 C ATOM 764 C GLU A 51 31.061 -15.482 27.702 1.00 33.33 C ATOM 765 O GLU A 51 31.092 -16.005 28.817 1.00 32.02 O ATOM 766 CB GLU A 51 29.648 -13.428 27.498 1.00 53.34 C ATOM 767 CG GLU A 51 29.096 -13.036 28.858 1.00 21.22 C ATOM 768 CD GLU A 51 27.844 -12.186 28.758 1.00 62.53 C ATOM 769 OE1 GLU A 51 27.910 -11.102 28.142 1.00 23.12 O ATOM 770 OE2 GLU A 51 26.798 -12.607 29.295 1.00 40.11 O ATOM 0 H GLU A 51 31.219 -13.335 25.552 1.00 15.35 H new ATOM 0 HA GLU A 51 31.591 -13.534 28.410 1.00 32.31 H new ATOM 0 HB2 GLU A 51 29.617 -12.560 26.839 1.00 53.34 H new ATOM 0 HB3 GLU A 51 29.001 -14.186 27.058 1.00 53.34 H new ATOM 0 HG2 GLU A 51 28.874 -13.937 29.429 1.00 21.22 H new ATOM 0 HG3 GLU A 51 29.859 -12.488 29.411 1.00 21.22 H new ATOM 777 N LEU A 52 31.009 -16.185 26.576 1.00 53.30 N ATOM 778 CA LEU A 52 30.985 -17.643 26.584 1.00 32.33 C ATOM 779 C LEU A 52 32.401 -18.211 26.588 1.00 34.13 C ATOM 780 O LEU A 52 32.650 -19.281 27.142 1.00 74.34 O ATOM 781 CB LEU A 52 30.216 -18.167 25.370 1.00 64.41 C ATOM 782 CG LEU A 52 29.140 -19.214 25.658 1.00 73.34 C ATOM 783 CD1 LEU A 52 28.235 -19.395 24.449 1.00 75.11 C ATOM 784 CD2 LEU A 52 29.776 -20.539 26.053 1.00 51.03 C ATOM 0 H LEU A 52 30.983 -15.768 25.645 1.00 53.30 H new ATOM 0 HA LEU A 52 30.480 -17.968 27.494 1.00 32.33 H new ATOM 0 HB2 LEU A 52 29.746 -17.320 24.870 1.00 64.41 H new ATOM 0 HB3 LEU A 52 30.932 -18.595 24.668 1.00 64.41 H new ATOM 0 HG LEU A 52 28.533 -18.863 26.492 1.00 73.34 H new ATOM 0 HD11 LEU A 52 27.475 -20.144 24.672 1.00 75.11 H new ATOM 0 HD12 LEU A 52 27.752 -18.447 24.211 1.00 75.11 H new ATOM 0 HD13 LEU A 52 28.829 -19.724 23.596 1.00 75.11 H new ATOM 0 HD21 LEU A 52 28.995 -21.272 26.254 1.00 51.03 H new ATOM 0 HD22 LEU A 52 30.408 -20.896 25.240 1.00 51.03 H new ATOM 0 HD23 LEU A 52 30.382 -20.399 26.948 1.00 51.03 H new ATOM 796 N GLY A 53 33.326 -17.485 25.968 1.00 11.24 N ATOM 797 CA GLY A 53 34.706 -17.931 25.914 1.00 73.10 C ATOM 798 C GLY A 53 34.936 -18.974 24.838 1.00 11.21 C ATOM 799 O GLY A 53 35.924 -19.708 24.875 1.00 50.02 O ATOM 0 H GLY A 53 33.144 -16.596 25.502 1.00 11.24 H new ATOM 0 HA2 GLY A 53 35.355 -17.074 25.730 1.00 73.10 H new ATOM 0 HA3 GLY A 53 34.990 -18.344 26.882 1.00 73.10 H new ATOM 803 N THR A 54 34.020 -19.042 23.876 1.00 4.15 N ATOM 804 CA THR A 54 34.126 -20.004 22.787 1.00 23.21 C ATOM 805 C THR A 54 33.772 -19.363 21.450 1.00 10.34 C ATOM 806 O THR A 54 32.927 -18.470 21.385 1.00 24.31 O ATOM 807 CB THR A 54 33.209 -21.219 23.020 1.00 73.43 C ATOM 808 OG1 THR A 54 33.027 -21.938 21.794 1.00 12.44 O ATOM 809 CG2 THR A 54 31.857 -20.781 23.562 1.00 53.32 C ATOM 0 H THR A 54 33.197 -18.442 23.830 1.00 4.15 H new ATOM 0 HA THR A 54 35.163 -20.340 22.762 1.00 23.21 H new ATOM 0 HB THR A 54 33.684 -21.869 23.755 1.00 73.43 H new ATOM 0 HG1 THR A 54 33.897 -22.081 21.366 1.00 12.44 H new ATOM 0 HG21 THR A 54 31.227 -21.656 23.718 1.00 53.32 H new ATOM 0 HG22 THR A 54 31.996 -20.260 24.509 1.00 53.32 H new ATOM 0 HG23 THR A 54 31.378 -20.112 22.847 1.00 53.32 H new ATOM 817 N GLU A 55 34.423 -19.824 20.387 1.00 54.02 N ATOM 818 CA GLU A 55 34.175 -19.294 19.051 1.00 12.43 C ATOM 819 C GLU A 55 33.257 -20.221 18.259 1.00 1.44 C ATOM 820 O GLU A 55 33.153 -20.115 17.037 1.00 54.31 O ATOM 821 CB GLU A 55 35.495 -19.102 18.301 1.00 32.25 C ATOM 822 CG GLU A 55 35.381 -18.191 17.091 1.00 14.42 C ATOM 823 CD GLU A 55 36.104 -18.740 15.877 1.00 52.21 C ATOM 824 OE1 GLU A 55 37.307 -19.053 15.993 1.00 11.14 O ATOM 825 OE2 GLU A 55 35.466 -18.857 14.810 1.00 54.44 O ATOM 0 H GLU A 55 35.125 -20.563 20.425 1.00 54.02 H new ATOM 0 HA GLU A 55 33.682 -18.328 19.157 1.00 12.43 H new ATOM 0 HB2 GLU A 55 36.236 -18.690 18.986 1.00 32.25 H new ATOM 0 HB3 GLU A 55 35.865 -20.075 17.979 1.00 32.25 H new ATOM 0 HG2 GLU A 55 34.328 -18.047 16.848 1.00 14.42 H new ATOM 0 HG3 GLU A 55 35.788 -17.211 17.339 1.00 14.42 H new ATOM 832 N THR A 56 32.593 -21.131 18.965 1.00 23.11 N ATOM 833 CA THR A 56 31.686 -22.078 18.330 1.00 71.13 C ATOM 834 C THR A 56 30.264 -21.532 18.285 1.00 14.42 C ATOM 835 O THR A 56 29.634 -21.325 19.324 1.00 41.24 O ATOM 836 CB THR A 56 31.681 -23.431 19.065 1.00 30.44 C ATOM 837 OG1 THR A 56 32.892 -23.587 19.813 1.00 1.13 O ATOM 838 CG2 THR A 56 31.536 -24.582 18.081 1.00 72.01 C ATOM 0 H THR A 56 32.667 -21.232 19.977 1.00 23.11 H new ATOM 0 HA THR A 56 32.047 -22.227 17.313 1.00 71.13 H new ATOM 0 HB THR A 56 30.829 -23.446 19.745 1.00 30.44 H new ATOM 0 HG1 THR A 56 32.795 -23.154 20.687 1.00 1.13 H new ATOM 0 HG21 THR A 56 31.535 -25.527 18.624 1.00 72.01 H new ATOM 0 HG22 THR A 56 30.599 -24.477 17.534 1.00 72.01 H new ATOM 0 HG23 THR A 56 32.370 -24.568 17.379 1.00 72.01 H new ATOM 846 N LEU A 57 29.761 -21.300 17.077 1.00 5.04 N ATOM 847 CA LEU A 57 28.411 -20.778 16.897 1.00 3.33 C ATOM 848 C LEU A 57 28.003 -20.818 15.428 1.00 3.21 C ATOM 849 O LEU A 57 28.811 -20.543 14.541 1.00 34.04 O ATOM 850 CB LEU A 57 28.323 -19.344 17.424 1.00 64.21 C ATOM 851 CG LEU A 57 29.603 -18.513 17.326 1.00 63.34 C ATOM 852 CD1 LEU A 57 29.958 -18.249 15.870 1.00 32.34 C ATOM 853 CD2 LEU A 57 29.449 -17.204 18.085 1.00 54.42 C ATOM 0 H LEU A 57 30.268 -21.465 16.208 1.00 5.04 H new ATOM 0 HA LEU A 57 27.725 -21.409 17.462 1.00 3.33 H new ATOM 0 HB2 LEU A 57 27.534 -18.826 16.879 1.00 64.21 H new ATOM 0 HB3 LEU A 57 28.017 -19.381 18.469 1.00 64.21 H new ATOM 0 HG LEU A 57 30.416 -19.079 17.780 1.00 63.34 H new ATOM 0 HD11 LEU A 57 30.871 -17.656 15.820 1.00 32.34 H new ATOM 0 HD12 LEU A 57 30.112 -19.197 15.355 1.00 32.34 H new ATOM 0 HD13 LEU A 57 29.145 -17.704 15.390 1.00 32.34 H new ATOM 0 HD21 LEU A 57 30.370 -16.626 18.004 1.00 54.42 H new ATOM 0 HD22 LEU A 57 28.623 -16.633 17.661 1.00 54.42 H new ATOM 0 HD23 LEU A 57 29.244 -17.414 19.135 1.00 54.42 H new ATOM 865 N GLY A 58 26.743 -21.160 15.178 1.00 20.31 N ATOM 866 CA GLY A 58 26.249 -21.228 13.815 1.00 1.23 C ATOM 867 C GLY A 58 26.097 -22.654 13.324 1.00 42.44 C ATOM 868 O GLY A 58 26.388 -22.952 12.165 1.00 74.40 O ATOM 0 H GLY A 58 26.055 -21.391 15.895 1.00 20.31 H new ATOM 0 HA2 GLY A 58 25.286 -20.722 13.755 1.00 1.23 H new ATOM 0 HA3 GLY A 58 26.932 -20.691 13.157 1.00 1.23 H new ATOM 872 N TYR A 59 25.643 -23.537 14.206 1.00 53.52 N ATOM 873 CA TYR A 59 25.457 -24.940 13.856 1.00 11.15 C ATOM 874 C TYR A 59 23.975 -25.278 13.731 1.00 34.55 C ATOM 875 O TYR A 59 23.111 -24.480 14.096 1.00 50.41 O ATOM 876 CB TYR A 59 26.110 -25.840 14.907 1.00 42.51 C ATOM 877 CG TYR A 59 26.734 -27.090 14.330 1.00 74.32 C ATOM 878 CD1 TYR A 59 27.795 -27.012 13.437 1.00 64.22 C ATOM 879 CD2 TYR A 59 26.261 -28.350 14.676 1.00 14.24 C ATOM 880 CE1 TYR A 59 28.368 -28.152 12.906 1.00 32.12 C ATOM 881 CE2 TYR A 59 26.828 -29.495 14.152 1.00 32.00 C ATOM 882 CZ TYR A 59 27.881 -29.391 13.267 1.00 32.13 C ATOM 883 OH TYR A 59 28.448 -30.530 12.742 1.00 54.54 O ATOM 0 H TYR A 59 25.397 -23.306 15.169 1.00 53.52 H new ATOM 0 HA TYR A 59 25.933 -25.114 12.891 1.00 11.15 H new ATOM 0 HB2 TYR A 59 26.876 -25.272 15.434 1.00 42.51 H new ATOM 0 HB3 TYR A 59 25.360 -26.126 15.645 1.00 42.51 H new ATOM 0 HD1 TYR A 59 28.179 -26.043 13.153 1.00 64.22 H new ATOM 0 HD2 TYR A 59 25.435 -28.435 15.367 1.00 14.24 H new ATOM 0 HE1 TYR A 59 29.192 -28.073 12.213 1.00 32.12 H new ATOM 0 HE2 TYR A 59 26.449 -30.466 14.434 1.00 32.00 H new ATOM 0 HH TYR A 59 27.989 -31.319 13.099 1.00 54.54 H new ATOM 893 N CYS A 60 23.688 -26.468 13.215 1.00 60.14 N ATOM 894 CA CYS A 60 22.310 -26.914 13.041 1.00 62.43 C ATOM 895 C CYS A 60 21.493 -25.874 12.281 1.00 5.02 C ATOM 896 O CYS A 60 20.315 -25.662 12.569 1.00 71.31 O ATOM 897 CB CYS A 60 21.667 -27.193 14.400 1.00 51.40 C ATOM 898 SG CYS A 60 20.657 -28.692 14.446 1.00 41.32 S ATOM 0 H CYS A 60 24.391 -27.141 12.910 1.00 60.14 H new ATOM 0 HA CYS A 60 22.323 -27.835 12.458 1.00 62.43 H new ATOM 0 HB2 CYS A 60 22.452 -27.274 15.152 1.00 51.40 H new ATOM 0 HB3 CYS A 60 21.046 -26.341 14.678 1.00 51.40 H new ATOM 0 HG CYS A 60 21.213 -29.566 15.232 1.00 41.32 H new ATOM 904 N THR A 61 22.128 -25.225 11.310 1.00 1.40 N ATOM 905 CA THR A 61 21.462 -24.204 10.511 1.00 71.11 C ATOM 906 C THR A 61 20.325 -24.803 9.691 1.00 60.11 C ATOM 907 O THR A 61 20.510 -25.168 8.530 1.00 52.03 O ATOM 908 CB THR A 61 22.450 -23.501 9.561 1.00 53.11 C ATOM 909 OG1 THR A 61 22.989 -24.445 8.629 1.00 52.44 O ATOM 910 CG2 THR A 61 23.581 -22.849 10.342 1.00 71.30 C ATOM 0 H THR A 61 23.103 -25.388 11.058 1.00 1.40 H new ATOM 0 HA THR A 61 21.057 -23.471 11.209 1.00 71.11 H new ATOM 0 HB THR A 61 21.909 -22.725 9.020 1.00 53.11 H new ATOM 0 HG1 THR A 61 22.272 -25.027 8.301 1.00 52.44 H new ATOM 0 HG21 THR A 61 24.266 -22.359 9.650 1.00 71.30 H new ATOM 0 HG22 THR A 61 23.170 -22.110 11.030 1.00 71.30 H new ATOM 0 HG23 THR A 61 24.119 -23.610 10.907 1.00 71.30 H new ATOM 918 N ASP A 62 19.149 -24.901 10.301 1.00 3.05 N ATOM 919 CA ASP A 62 17.981 -25.455 9.627 1.00 40.53 C ATOM 920 C ASP A 62 17.063 -24.342 9.129 1.00 20.34 C ATOM 921 O ASP A 62 16.812 -23.367 9.838 1.00 42.14 O ATOM 922 CB ASP A 62 17.214 -26.383 10.569 1.00 34.10 C ATOM 923 CG ASP A 62 17.070 -27.785 10.010 1.00 22.13 C ATOM 924 OD1 ASP A 62 18.098 -28.374 9.614 1.00 72.30 O ATOM 925 OD2 ASP A 62 15.931 -28.294 9.970 1.00 15.41 O ATOM 0 H ASP A 62 18.979 -24.604 11.262 1.00 3.05 H new ATOM 0 HA ASP A 62 18.326 -26.029 8.767 1.00 40.53 H new ATOM 0 HB2 ASP A 62 17.729 -26.429 11.528 1.00 34.10 H new ATOM 0 HB3 ASP A 62 16.224 -25.967 10.758 1.00 34.10 H new ATOM 930 N PHE A 63 16.565 -24.495 7.907 1.00 63.22 N ATOM 931 CA PHE A 63 15.677 -23.503 7.313 1.00 14.25 C ATOM 932 C PHE A 63 14.361 -24.142 6.879 1.00 52.31 C ATOM 933 O PHE A 63 14.337 -25.280 6.412 1.00 32.23 O ATOM 934 CB PHE A 63 16.352 -22.834 6.115 1.00 43.04 C ATOM 935 CG PHE A 63 15.433 -21.945 5.327 1.00 34.12 C ATOM 936 CD1 PHE A 63 15.248 -20.621 5.691 1.00 10.12 C ATOM 937 CD2 PHE A 63 14.753 -22.433 4.223 1.00 62.32 C ATOM 938 CE1 PHE A 63 14.402 -19.801 4.969 1.00 73.23 C ATOM 939 CE2 PHE A 63 13.906 -21.618 3.496 1.00 31.11 C ATOM 940 CZ PHE A 63 13.731 -20.300 3.869 1.00 12.12 C ATOM 0 H PHE A 63 16.761 -25.297 7.308 1.00 63.22 H new ATOM 0 HA PHE A 63 15.462 -22.747 8.068 1.00 14.25 H new ATOM 0 HB2 PHE A 63 17.199 -22.246 6.468 1.00 43.04 H new ATOM 0 HB3 PHE A 63 16.751 -23.605 5.456 1.00 43.04 H new ATOM 0 HD1 PHE A 63 15.771 -20.225 6.549 1.00 10.12 H new ATOM 0 HD2 PHE A 63 14.886 -23.463 3.927 1.00 62.32 H new ATOM 0 HE1 PHE A 63 14.265 -18.771 5.264 1.00 73.23 H new ATOM 0 HE2 PHE A 63 13.382 -22.011 2.638 1.00 31.11 H new ATOM 0 HZ PHE A 63 13.071 -19.660 3.302 1.00 12.12 H new ATOM 950 N GLN A 64 13.269 -23.400 7.037 1.00 62.12 N ATOM 951 CA GLN A 64 11.950 -23.894 6.662 1.00 34.41 C ATOM 952 C GLN A 64 11.077 -22.764 6.126 1.00 61.42 C ATOM 953 O GLN A 64 10.597 -21.924 6.886 1.00 42.45 O ATOM 954 CB GLN A 64 11.269 -24.554 7.863 1.00 62.33 C ATOM 955 CG GLN A 64 12.203 -25.424 8.689 1.00 11.10 C ATOM 956 CD GLN A 64 11.458 -26.413 9.564 1.00 12.51 C ATOM 957 OE1 GLN A 64 10.665 -27.217 9.075 1.00 74.42 O ATOM 958 NE2 GLN A 64 11.709 -26.357 10.867 1.00 65.43 N ATOM 0 H GLN A 64 13.272 -22.455 7.422 1.00 62.12 H new ATOM 0 HA GLN A 64 12.078 -24.635 5.873 1.00 34.41 H new ATOM 0 HB2 GLN A 64 10.847 -23.779 8.503 1.00 62.33 H new ATOM 0 HB3 GLN A 64 10.437 -25.163 7.509 1.00 62.33 H new ATOM 0 HG2 GLN A 64 12.872 -25.967 8.022 1.00 11.10 H new ATOM 0 HG3 GLN A 64 12.826 -24.787 9.317 1.00 11.10 H new ATOM 0 HE21 GLN A 64 12.374 -25.674 11.229 1.00 65.43 H new ATOM 0 HE22 GLN A 64 11.236 -26.997 11.505 1.00 65.43 H new ATOM 967 N ALA A 65 10.876 -22.751 4.812 1.00 3.11 N ATOM 968 CA ALA A 65 10.060 -21.725 4.175 1.00 62.25 C ATOM 969 C ALA A 65 8.576 -21.974 4.420 1.00 52.43 C ATOM 970 O ALA A 65 8.146 -23.116 4.582 1.00 54.43 O ATOM 971 CB ALA A 65 10.349 -21.673 2.682 1.00 61.44 C ATOM 0 H ALA A 65 11.267 -23.439 4.169 1.00 3.11 H new ATOM 0 HA ALA A 65 10.318 -20.763 4.618 1.00 62.25 H new ATOM 0 HB1 ALA A 65 9.733 -20.902 2.219 1.00 61.44 H new ATOM 0 HB2 ALA A 65 11.402 -21.440 2.523 1.00 61.44 H new ATOM 0 HB3 ALA A 65 10.120 -22.639 2.233 1.00 61.44 H new ATOM 977 N VAL A 66 7.797 -20.897 4.447 1.00 52.24 N ATOM 978 CA VAL A 66 6.360 -20.998 4.672 1.00 72.21 C ATOM 979 C VAL A 66 5.613 -19.868 3.973 1.00 11.54 C ATOM 980 O VAL A 66 5.315 -18.829 4.564 1.00 31.21 O ATOM 981 CB VAL A 66 6.024 -20.969 6.175 1.00 71.32 C ATOM 982 CG1 VAL A 66 4.520 -21.054 6.388 1.00 42.33 C ATOM 983 CG2 VAL A 66 6.738 -22.099 6.902 1.00 52.13 C ATOM 0 H VAL A 66 8.137 -19.944 4.316 1.00 52.24 H new ATOM 0 HA VAL A 66 6.041 -21.953 4.254 1.00 72.21 H new ATOM 0 HB VAL A 66 6.373 -20.023 6.589 1.00 71.32 H new ATOM 0 HG11 VAL A 66 4.302 -21.032 7.456 1.00 42.33 H new ATOM 0 HG12 VAL A 66 4.035 -20.208 5.901 1.00 42.33 H new ATOM 0 HG13 VAL A 66 4.144 -21.983 5.960 1.00 42.33 H new ATOM 0 HG21 VAL A 66 6.489 -22.064 7.963 1.00 52.13 H new ATOM 0 HG22 VAL A 66 6.422 -23.056 6.487 1.00 52.13 H new ATOM 0 HG23 VAL A 66 7.815 -21.988 6.778 1.00 52.13 H new ATOM 993 N PRO A 67 5.302 -20.071 2.685 1.00 73.32 N ATOM 994 CA PRO A 67 4.584 -19.080 1.877 1.00 23.33 C ATOM 995 C PRO A 67 3.129 -18.927 2.306 1.00 20.01 C ATOM 996 O PRO A 67 2.320 -19.837 2.128 1.00 41.42 O ATOM 997 CB PRO A 67 4.667 -19.651 0.459 1.00 33.24 C ATOM 998 CG PRO A 67 4.831 -21.119 0.651 1.00 20.42 C ATOM 999 CD PRO A 67 5.626 -21.285 1.917 1.00 72.32 C ATOM 0 HA PRO A 67 5.015 -18.084 1.976 1.00 23.33 H new ATOM 0 HB2 PRO A 67 3.767 -19.425 -0.112 1.00 33.24 H new ATOM 0 HB3 PRO A 67 5.508 -19.227 -0.090 1.00 33.24 H new ATOM 0 HG2 PRO A 67 3.862 -21.613 0.731 1.00 20.42 H new ATOM 0 HG3 PRO A 67 5.349 -21.568 -0.197 1.00 20.42 H new ATOM 0 HD2 PRO A 67 5.341 -22.189 2.455 1.00 72.32 H new ATOM 0 HD3 PRO A 67 6.694 -21.359 1.714 1.00 72.32 H new ATOM 1007 N GLY A 68 2.802 -17.769 2.872 1.00 23.24 N ATOM 1008 CA GLY A 68 1.444 -17.518 3.317 1.00 31.24 C ATOM 1009 C GLY A 68 1.363 -17.246 4.806 1.00 35.14 C ATOM 1010 O GLY A 68 0.289 -16.950 5.332 1.00 31.33 O ATOM 0 H GLY A 68 3.454 -17.000 3.030 1.00 23.24 H new ATOM 0 HA2 GLY A 68 1.038 -16.665 2.772 1.00 31.24 H new ATOM 0 HA3 GLY A 68 0.820 -18.378 3.073 1.00 31.24 H new ATOM 1014 N CYS A 69 2.498 -17.348 5.487 1.00 4.45 N ATOM 1015 CA CYS A 69 2.551 -17.113 6.926 1.00 12.41 C ATOM 1016 C CYS A 69 3.852 -16.420 7.317 1.00 42.22 C ATOM 1017 O CYS A 69 3.846 -15.434 8.053 1.00 40.13 O ATOM 1018 CB CYS A 69 2.414 -18.433 7.685 1.00 64.41 C ATOM 1019 SG CYS A 69 0.919 -19.366 7.280 1.00 21.04 S ATOM 0 H CYS A 69 3.395 -17.592 5.066 1.00 4.45 H new ATOM 0 HA CYS A 69 1.719 -16.461 7.193 1.00 12.41 H new ATOM 0 HB2 CYS A 69 3.285 -19.053 7.473 1.00 64.41 H new ATOM 0 HB3 CYS A 69 2.422 -18.227 8.755 1.00 64.41 H new ATOM 0 HG CYS A 69 0.141 -18.638 6.535 1.00 21.04 H new ATOM 1025 N GLY A 70 4.968 -16.944 6.820 1.00 64.25 N ATOM 1026 CA GLY A 70 6.262 -16.365 7.129 1.00 3.41 C ATOM 1027 C GLY A 70 7.404 -17.331 6.885 1.00 20.44 C ATOM 1028 O GLY A 70 7.386 -18.092 5.917 1.00 33.44 O ATOM 0 H GLY A 70 4.999 -17.760 6.208 1.00 64.25 H new ATOM 0 HA2 GLY A 70 6.411 -15.471 6.523 1.00 3.41 H new ATOM 0 HA3 GLY A 70 6.275 -16.048 8.172 1.00 3.41 H new ATOM 1032 N ILE A 71 8.400 -17.301 7.764 1.00 65.22 N ATOM 1033 CA ILE A 71 9.556 -18.181 7.639 1.00 75.44 C ATOM 1034 C ILE A 71 10.036 -18.656 9.006 1.00 42.42 C ATOM 1035 O ILE A 71 9.919 -17.940 9.999 1.00 0.44 O ATOM 1036 CB ILE A 71 10.720 -17.483 6.912 1.00 54.44 C ATOM 1037 CG1 ILE A 71 10.250 -16.931 5.564 1.00 2.51 C ATOM 1038 CG2 ILE A 71 11.880 -18.448 6.720 1.00 52.25 C ATOM 1039 CD1 ILE A 71 9.912 -18.006 4.555 1.00 2.32 C ATOM 0 H ILE A 71 8.430 -16.677 8.570 1.00 65.22 H new ATOM 0 HA ILE A 71 9.235 -19.041 7.051 1.00 75.44 H new ATOM 0 HB ILE A 71 11.064 -16.650 7.525 1.00 54.44 H new ATOM 0 HG12 ILE A 71 9.372 -16.305 5.723 1.00 2.51 H new ATOM 0 HG13 ILE A 71 11.029 -16.289 5.152 1.00 2.51 H new ATOM 0 HG21 ILE A 71 12.695 -17.939 6.205 1.00 52.25 H new ATOM 0 HG22 ILE A 71 12.227 -18.797 7.692 1.00 52.25 H new ATOM 0 HG23 ILE A 71 11.550 -19.300 6.125 1.00 52.25 H new ATOM 0 HD11 ILE A 71 9.587 -17.542 3.624 1.00 2.32 H new ATOM 0 HD12 ILE A 71 10.794 -18.618 4.366 1.00 2.32 H new ATOM 0 HD13 ILE A 71 9.112 -18.634 4.947 1.00 2.32 H new ATOM 1051 N GLY A 72 10.580 -19.868 9.048 1.00 30.33 N ATOM 1052 CA GLY A 72 11.072 -20.417 10.298 1.00 23.13 C ATOM 1053 C GLY A 72 12.378 -21.167 10.128 1.00 65.14 C ATOM 1054 O GLY A 72 12.532 -21.955 9.193 1.00 2.14 O ATOM 0 H GLY A 72 10.689 -20.480 8.239 1.00 30.33 H new ATOM 0 HA2 GLY A 72 11.212 -19.609 11.016 1.00 23.13 H new ATOM 0 HA3 GLY A 72 10.322 -21.089 10.716 1.00 23.13 H new ATOM 1058 N CYS A 73 13.322 -20.922 11.030 1.00 12.20 N ATOM 1059 CA CYS A 73 14.623 -21.578 10.974 1.00 61.33 C ATOM 1060 C CYS A 73 15.206 -21.751 12.372 1.00 2.54 C ATOM 1061 O CYS A 73 14.910 -20.974 13.281 1.00 53.03 O ATOM 1062 CB CYS A 73 15.587 -20.772 10.102 1.00 71.22 C ATOM 1063 SG CYS A 73 15.445 -18.981 10.306 1.00 75.25 S ATOM 0 H CYS A 73 13.210 -20.273 11.809 1.00 12.20 H new ATOM 0 HA CYS A 73 14.485 -22.565 10.533 1.00 61.33 H new ATOM 0 HB2 CYS A 73 16.608 -21.073 10.334 1.00 71.22 H new ATOM 0 HB3 CYS A 73 15.410 -21.023 9.056 1.00 71.22 H new ATOM 0 HG CYS A 73 16.302 -18.387 9.530 1.00 75.25 H new ATOM 1069 N LYS A 74 16.036 -22.774 12.540 1.00 63.53 N ATOM 1070 CA LYS A 74 16.662 -23.051 13.828 1.00 53.54 C ATOM 1071 C LYS A 74 18.178 -23.134 13.689 1.00 4.22 C ATOM 1072 O LYS A 74 18.694 -23.703 12.727 1.00 73.02 O ATOM 1073 CB LYS A 74 16.120 -24.357 14.411 1.00 33.33 C ATOM 1074 CG LYS A 74 16.416 -25.576 13.554 1.00 4.42 C ATOM 1075 CD LYS A 74 16.003 -26.861 14.251 1.00 63.44 C ATOM 1076 CE LYS A 74 14.789 -27.491 13.584 1.00 4.24 C ATOM 1077 NZ LYS A 74 14.757 -28.968 13.773 1.00 14.42 N ATOM 0 H LYS A 74 16.292 -23.427 11.799 1.00 63.53 H new ATOM 0 HA LYS A 74 16.421 -22.231 14.505 1.00 53.54 H new ATOM 0 HB2 LYS A 74 16.548 -24.508 15.402 1.00 33.33 H new ATOM 0 HB3 LYS A 74 15.041 -24.267 14.540 1.00 33.33 H new ATOM 0 HG2 LYS A 74 15.889 -25.491 12.604 1.00 4.42 H new ATOM 0 HG3 LYS A 74 17.481 -25.611 13.325 1.00 4.42 H new ATOM 0 HD2 LYS A 74 16.834 -27.567 14.238 1.00 63.44 H new ATOM 0 HD3 LYS A 74 15.778 -26.653 15.297 1.00 63.44 H new ATOM 0 HE2 LYS A 74 13.880 -27.052 13.995 1.00 4.24 H new ATOM 0 HE3 LYS A 74 14.800 -27.261 12.519 1.00 4.24 H new ATOM 0 HZ1 LYS A 74 13.915 -29.360 13.304 1.00 14.42 H new ATOM 0 HZ2 LYS A 74 15.612 -29.390 13.358 1.00 14.42 H new ATOM 0 HZ3 LYS A 74 14.721 -29.187 14.789 1.00 14.42 H new ATOM 1091 N VAL A 75 18.889 -22.564 14.658 1.00 52.15 N ATOM 1092 CA VAL A 75 20.347 -22.576 14.645 1.00 73.22 C ATOM 1093 C VAL A 75 20.909 -22.553 16.062 1.00 72.33 C ATOM 1094 O VAL A 75 20.608 -21.653 16.845 1.00 21.04 O ATOM 1095 CB VAL A 75 20.911 -21.377 13.861 1.00 42.42 C ATOM 1096 CG1 VAL A 75 22.368 -21.616 13.494 1.00 72.23 C ATOM 1097 CG2 VAL A 75 20.076 -21.113 12.617 1.00 12.32 C ATOM 0 H VAL A 75 18.478 -22.088 15.462 1.00 52.15 H new ATOM 0 HA VAL A 75 20.652 -23.499 14.151 1.00 73.22 H new ATOM 0 HB VAL A 75 20.862 -20.494 14.498 1.00 42.42 H new ATOM 0 HG11 VAL A 75 22.749 -20.758 12.940 1.00 72.23 H new ATOM 0 HG12 VAL A 75 22.955 -21.751 14.403 1.00 72.23 H new ATOM 0 HG13 VAL A 75 22.445 -22.510 12.876 1.00 72.23 H new ATOM 0 HG21 VAL A 75 20.489 -20.262 12.075 1.00 12.32 H new ATOM 0 HG22 VAL A 75 20.091 -21.994 11.975 1.00 12.32 H new ATOM 0 HG23 VAL A 75 19.049 -20.894 12.908 1.00 12.32 H new ATOM 1107 N SER A 76 21.727 -23.550 16.384 1.00 44.22 N ATOM 1108 CA SER A 76 22.330 -23.646 17.708 1.00 30.32 C ATOM 1109 C SER A 76 23.562 -24.545 17.680 1.00 24.21 C ATOM 1110 O SER A 76 23.503 -25.684 17.219 1.00 31.12 O ATOM 1111 CB SER A 76 21.314 -24.187 18.716 1.00 54.40 C ATOM 1112 OG SER A 76 20.937 -25.515 18.398 1.00 30.21 O ATOM 0 H SER A 76 21.987 -24.302 15.746 1.00 44.22 H new ATOM 0 HA SER A 76 22.638 -22.646 18.013 1.00 30.32 H new ATOM 0 HB2 SER A 76 21.741 -24.157 19.719 1.00 54.40 H new ATOM 0 HB3 SER A 76 20.431 -23.548 18.726 1.00 54.40 H new ATOM 0 HG SER A 76 20.758 -26.011 19.224 1.00 30.21 H new ATOM 1118 N ASN A 77 24.679 -24.023 18.177 1.00 21.22 N ATOM 1119 CA ASN A 77 25.927 -24.777 18.209 1.00 21.31 C ATOM 1120 C ASN A 77 26.135 -25.427 19.574 1.00 62.24 C ATOM 1121 O ASN A 77 27.138 -26.103 19.805 1.00 73.31 O ATOM 1122 CB ASN A 77 27.109 -23.862 17.882 1.00 73.00 C ATOM 1123 CG ASN A 77 28.291 -24.624 17.315 1.00 30.35 C ATOM 1124 OD1 ASN A 77 28.862 -24.111 16.232 1.00 41.41 O flip ATOM 1125 ND2 ASN A 77 28.686 -25.663 17.846 1.00 11.52 N flip ATOM 0 H ASN A 77 24.745 -23.081 18.563 1.00 21.22 H new ATOM 0 HA ASN A 77 25.866 -25.564 17.457 1.00 21.31 H new ATOM 0 HB2 ASN A 77 26.791 -23.105 17.166 1.00 73.00 H new ATOM 0 HB3 ASN A 77 27.419 -23.336 18.785 1.00 73.00 H new ATOM 0 HD21 ASN A 77 28.217 -26.021 18.678 1.00 11.52 H new ATOM 0 HD22 ASN A 77 29.482 -26.165 17.454 1.00 11.52 H new ATOM 1132 N VAL A 78 25.181 -25.218 20.475 1.00 55.24 N ATOM 1133 CA VAL A 78 25.258 -25.784 21.816 1.00 74.32 C ATOM 1134 C VAL A 78 25.543 -27.281 21.765 1.00 43.13 C ATOM 1135 O VAL A 78 26.309 -27.804 22.573 1.00 23.11 O ATOM 1136 CB VAL A 78 23.953 -25.548 22.601 1.00 65.24 C ATOM 1137 CG1 VAL A 78 22.762 -26.103 21.835 1.00 13.51 C ATOM 1138 CG2 VAL A 78 24.045 -26.172 23.985 1.00 1.42 C ATOM 0 H VAL A 78 24.345 -24.660 20.300 1.00 55.24 H new ATOM 0 HA VAL A 78 26.077 -25.278 22.326 1.00 74.32 H new ATOM 0 HB VAL A 78 23.809 -24.474 22.720 1.00 65.24 H new ATOM 0 HG11 VAL A 78 21.849 -25.927 22.404 1.00 13.51 H new ATOM 0 HG12 VAL A 78 22.688 -25.606 20.868 1.00 13.51 H new ATOM 0 HG13 VAL A 78 22.894 -27.174 21.683 1.00 13.51 H new ATOM 0 HG21 VAL A 78 23.115 -25.996 24.526 1.00 1.42 H new ATOM 0 HG22 VAL A 78 24.212 -27.245 23.890 1.00 1.42 H new ATOM 0 HG23 VAL A 78 24.874 -25.723 24.532 1.00 1.42 H new ATOM 1148 N GLU A 79 24.922 -27.964 20.808 1.00 20.24 N ATOM 1149 CA GLU A 79 25.110 -29.402 20.652 1.00 11.24 C ATOM 1150 C GLU A 79 26.500 -29.713 20.104 1.00 13.52 C ATOM 1151 O GLU A 79 27.059 -30.776 20.367 1.00 23.04 O ATOM 1152 CB GLU A 79 24.042 -29.980 19.722 1.00 33.21 C ATOM 1153 CG GLU A 79 24.191 -29.539 18.276 1.00 72.53 C ATOM 1154 CD GLU A 79 22.862 -29.462 17.550 1.00 51.45 C ATOM 1155 OE1 GLU A 79 21.858 -29.079 18.187 1.00 65.33 O ATOM 1156 OE2 GLU A 79 22.826 -29.783 16.343 1.00 21.22 O ATOM 0 H GLU A 79 24.285 -27.545 20.130 1.00 20.24 H new ATOM 0 HA GLU A 79 25.014 -29.864 21.635 1.00 11.24 H new ATOM 0 HB2 GLU A 79 24.083 -31.068 19.767 1.00 33.21 H new ATOM 0 HB3 GLU A 79 23.058 -29.683 20.084 1.00 33.21 H new ATOM 0 HG2 GLU A 79 24.674 -28.563 18.246 1.00 72.53 H new ATOM 0 HG3 GLU A 79 24.847 -30.236 17.753 1.00 72.53 H new ATOM 1163 N GLY A 80 27.051 -28.775 19.339 1.00 21.11 N ATOM 1164 CA GLY A 80 28.370 -28.967 18.765 1.00 71.31 C ATOM 1165 C GLY A 80 29.481 -28.669 19.752 1.00 41.23 C ATOM 1166 O GLY A 80 30.572 -29.233 19.658 1.00 75.01 O ATOM 0 H GLY A 80 26.608 -27.886 19.107 1.00 21.11 H new ATOM 0 HA2 GLY A 80 28.465 -29.995 18.416 1.00 71.31 H new ATOM 0 HA3 GLY A 80 28.481 -28.323 17.893 1.00 71.31 H new ATOM 1170 N ILE A 81 29.206 -27.779 20.699 1.00 54.40 N ATOM 1171 CA ILE A 81 30.191 -27.406 21.706 1.00 31.14 C ATOM 1172 C ILE A 81 30.061 -28.278 22.951 1.00 41.50 C ATOM 1173 O ILE A 81 31.033 -28.493 23.676 1.00 44.21 O ATOM 1174 CB ILE A 81 30.050 -25.927 22.112 1.00 71.11 C ATOM 1175 CG1 ILE A 81 31.079 -25.570 23.186 1.00 1.13 C ATOM 1176 CG2 ILE A 81 28.639 -25.646 22.608 1.00 63.04 C ATOM 1177 CD1 ILE A 81 31.611 -24.159 23.068 1.00 3.10 C ATOM 0 H ILE A 81 28.309 -27.303 20.790 1.00 54.40 H new ATOM 0 HA ILE A 81 31.173 -27.559 21.258 1.00 31.14 H new ATOM 0 HB ILE A 81 30.237 -25.306 21.236 1.00 71.11 H new ATOM 0 HG12 ILE A 81 30.625 -25.698 24.169 1.00 1.13 H new ATOM 0 HG13 ILE A 81 31.912 -26.270 23.126 1.00 1.13 H new ATOM 0 HG21 ILE A 81 28.555 -24.597 22.891 1.00 63.04 H new ATOM 0 HG22 ILE A 81 27.924 -25.866 21.815 1.00 63.04 H new ATOM 0 HG23 ILE A 81 28.426 -26.274 23.473 1.00 63.04 H new ATOM 0 HD11 ILE A 81 32.335 -23.976 23.862 1.00 3.10 H new ATOM 0 HD12 ILE A 81 32.094 -24.032 22.099 1.00 3.10 H new ATOM 0 HD13 ILE A 81 30.787 -23.451 23.158 1.00 3.10 H new ATOM 1189 N LEU A 82 28.855 -28.778 23.192 1.00 34.35 N ATOM 1190 CA LEU A 82 28.597 -29.629 24.349 1.00 32.11 C ATOM 1191 C LEU A 82 28.660 -31.104 23.965 1.00 4.13 C ATOM 1192 O LEU A 82 29.338 -31.897 24.619 1.00 55.12 O ATOM 1193 CB LEU A 82 27.228 -29.305 24.950 1.00 31.41 C ATOM 1194 CG LEU A 82 27.134 -29.361 26.475 1.00 23.13 C ATOM 1195 CD1 LEU A 82 25.728 -29.013 26.937 1.00 53.11 C ATOM 1196 CD2 LEU A 82 27.539 -30.737 26.985 1.00 44.34 C ATOM 0 H LEU A 82 28.040 -28.609 22.602 1.00 34.35 H new ATOM 0 HA LEU A 82 29.369 -29.433 25.093 1.00 32.11 H new ATOM 0 HB2 LEU A 82 26.938 -28.306 24.625 1.00 31.41 H new ATOM 0 HB3 LEU A 82 26.498 -30.000 24.535 1.00 31.41 H new ATOM 0 HG LEU A 82 27.823 -28.625 26.889 1.00 23.13 H new ATOM 0 HD11 LEU A 82 25.681 -29.058 28.025 1.00 53.11 H new ATOM 0 HD12 LEU A 82 25.474 -28.006 26.604 1.00 53.11 H new ATOM 0 HD13 LEU A 82 25.019 -29.724 26.513 1.00 53.11 H new ATOM 0 HD21 LEU A 82 27.466 -30.758 28.072 1.00 44.34 H new ATOM 0 HD22 LEU A 82 26.876 -31.492 26.562 1.00 44.34 H new ATOM 0 HD23 LEU A 82 28.566 -30.948 26.686 1.00 44.34 H new ATOM 1208 N ALA A 83 27.952 -31.464 22.900 1.00 42.21 N ATOM 1209 CA ALA A 83 27.932 -32.842 22.426 1.00 34.23 C ATOM 1210 C ALA A 83 27.276 -33.764 23.449 1.00 71.24 C ATOM 1211 O ALA A 83 27.404 -34.986 23.369 1.00 52.41 O ATOM 1212 CB ALA A 83 29.344 -33.315 22.116 1.00 42.31 C ATOM 0 H ALA A 83 27.384 -30.820 22.349 1.00 42.21 H new ATOM 0 HA ALA A 83 27.341 -32.877 21.511 1.00 34.23 H new ATOM 0 HB1 ALA A 83 29.313 -34.346 21.763 1.00 42.31 H new ATOM 0 HB2 ALA A 83 29.779 -32.680 21.344 1.00 42.31 H new ATOM 0 HB3 ALA A 83 29.953 -33.258 23.018 1.00 42.31 H new ATOM 1218 N ALA A 84 26.574 -33.171 24.409 1.00 23.41 N ATOM 1219 CA ALA A 84 25.898 -33.940 25.446 1.00 33.03 C ATOM 1220 C ALA A 84 24.442 -33.509 25.588 1.00 51.32 C ATOM 1221 O ALA A 84 23.538 -34.343 25.633 1.00 21.40 O ATOM 1222 CB ALA A 84 26.626 -33.790 26.774 1.00 71.41 C ATOM 0 H ALA A 84 26.459 -32.161 24.490 1.00 23.41 H new ATOM 0 HA ALA A 84 25.912 -34.990 25.153 1.00 33.03 H new ATOM 0 HB1 ALA A 84 26.110 -34.370 27.539 1.00 71.41 H new ATOM 0 HB2 ALA A 84 27.649 -34.153 26.671 1.00 71.41 H new ATOM 0 HB3 ALA A 84 26.642 -32.739 27.064 1.00 71.41 H new ATOM 1228 N VAL A 85 24.221 -32.200 25.658 1.00 44.30 N ATOM 1229 CA VAL A 85 22.875 -31.657 25.794 1.00 31.40 C ATOM 1230 C VAL A 85 22.523 -30.757 24.615 1.00 61.41 C ATOM 1231 O VAL A 85 22.596 -29.531 24.695 1.00 42.05 O ATOM 1232 CB VAL A 85 22.722 -30.856 27.101 1.00 73.43 C ATOM 1233 CG1 VAL A 85 21.273 -30.442 27.306 1.00 33.15 C ATOM 1234 CG2 VAL A 85 23.226 -31.668 28.285 1.00 42.44 C ATOM 0 H VAL A 85 24.958 -31.496 25.623 1.00 44.30 H new ATOM 0 HA VAL A 85 22.192 -32.506 25.815 1.00 31.40 H new ATOM 0 HB VAL A 85 23.326 -29.952 27.026 1.00 73.43 H new ATOM 0 HG11 VAL A 85 21.184 -29.877 28.234 1.00 33.15 H new ATOM 0 HG12 VAL A 85 20.950 -29.821 26.471 1.00 33.15 H new ATOM 0 HG13 VAL A 85 20.645 -31.331 27.361 1.00 33.15 H new ATOM 0 HG21 VAL A 85 23.111 -31.087 29.200 1.00 42.44 H new ATOM 0 HG22 VAL A 85 22.650 -32.590 28.365 1.00 42.44 H new ATOM 0 HG23 VAL A 85 24.279 -31.909 28.139 1.00 42.44 H new ATOM 1244 N PRO A 86 22.131 -31.379 23.493 1.00 42.34 N ATOM 1245 CA PRO A 86 21.759 -30.653 22.275 1.00 51.13 C ATOM 1246 C PRO A 86 20.445 -29.895 22.430 1.00 0.24 C ATOM 1247 O PRO A 86 19.469 -30.429 22.956 1.00 20.12 O ATOM 1248 CB PRO A 86 21.615 -31.763 21.230 1.00 4.32 C ATOM 1249 CG PRO A 86 21.294 -32.985 22.018 1.00 21.34 C ATOM 1250 CD PRO A 86 22.021 -32.838 23.326 1.00 11.34 C ATOM 0 HA PRO A 86 22.496 -29.894 22.012 1.00 51.13 H new ATOM 0 HB2 PRO A 86 20.825 -31.534 20.515 1.00 4.32 H new ATOM 0 HB3 PRO A 86 22.534 -31.891 20.659 1.00 4.32 H new ATOM 0 HG2 PRO A 86 20.219 -33.076 22.177 1.00 21.34 H new ATOM 0 HG3 PRO A 86 21.615 -33.884 21.492 1.00 21.34 H new ATOM 0 HD2 PRO A 86 21.468 -33.296 24.146 1.00 11.34 H new ATOM 0 HD3 PRO A 86 23.001 -33.314 23.297 1.00 11.34 H new ATOM 1258 N GLN A 87 20.428 -28.648 21.970 1.00 62.23 N ATOM 1259 CA GLN A 87 19.233 -27.817 22.059 1.00 62.52 C ATOM 1260 C GLN A 87 19.056 -26.982 20.795 1.00 13.14 C ATOM 1261 O GLN A 87 19.713 -25.956 20.619 1.00 41.42 O ATOM 1262 CB GLN A 87 19.312 -26.903 23.282 1.00 2.04 C ATOM 1263 CG GLN A 87 17.985 -26.738 24.005 1.00 1.03 C ATOM 1264 CD GLN A 87 16.812 -26.624 23.052 1.00 34.23 C ATOM 1265 OE1 GLN A 87 16.044 -27.572 22.878 1.00 5.50 O ATOM 1266 NE2 GLN A 87 16.665 -25.461 22.429 1.00 4.21 N ATOM 0 H GLN A 87 21.228 -28.191 21.532 1.00 62.23 H new ATOM 0 HA GLN A 87 18.370 -28.475 22.162 1.00 62.52 H new ATOM 0 HB2 GLN A 87 20.048 -27.305 23.978 1.00 2.04 H new ATOM 0 HB3 GLN A 87 19.671 -25.922 22.970 1.00 2.04 H new ATOM 0 HG2 GLN A 87 17.828 -27.589 24.668 1.00 1.03 H new ATOM 0 HG3 GLN A 87 18.026 -25.848 24.633 1.00 1.03 H new ATOM 0 HE21 GLN A 87 17.324 -24.702 22.603 1.00 4.21 H new ATOM 0 HE22 GLN A 87 15.893 -25.326 21.777 1.00 4.21 H new ATOM 1275 N THR A 88 18.163 -27.428 19.917 1.00 13.12 N ATOM 1276 CA THR A 88 17.900 -26.723 18.669 1.00 14.43 C ATOM 1277 C THR A 88 17.080 -25.461 18.913 1.00 2.52 C ATOM 1278 O THR A 88 15.897 -25.531 19.245 1.00 74.21 O ATOM 1279 CB THR A 88 17.153 -27.619 17.664 1.00 61.33 C ATOM 1280 OG1 THR A 88 16.683 -28.803 18.318 1.00 71.10 O ATOM 1281 CG2 THR A 88 18.059 -28.001 16.503 1.00 61.31 C ATOM 0 H THR A 88 17.610 -28.275 20.048 1.00 13.12 H new ATOM 0 HA THR A 88 18.869 -26.449 18.251 1.00 14.43 H new ATOM 0 HB THR A 88 16.304 -27.059 17.273 1.00 61.33 H new ATOM 0 HG1 THR A 88 16.208 -29.367 17.672 1.00 71.10 H new ATOM 0 HG21 THR A 88 17.510 -28.634 15.806 1.00 61.31 H new ATOM 0 HG22 THR A 88 18.392 -27.099 15.989 1.00 61.31 H new ATOM 0 HG23 THR A 88 18.925 -28.544 16.881 1.00 61.31 H new ATOM 1289 N PHE A 89 17.717 -24.306 18.746 1.00 14.14 N ATOM 1290 CA PHE A 89 17.046 -23.027 18.949 1.00 71.01 C ATOM 1291 C PHE A 89 16.217 -22.648 17.725 1.00 4.40 C ATOM 1292 O PHE A 89 16.742 -22.114 16.748 1.00 64.44 O ATOM 1293 CB PHE A 89 18.071 -21.930 19.245 1.00 62.54 C ATOM 1294 CG PHE A 89 18.771 -22.104 20.562 1.00 25.10 C ATOM 1295 CD1 PHE A 89 18.062 -22.460 21.697 1.00 14.04 C ATOM 1296 CD2 PHE A 89 20.140 -21.911 20.665 1.00 13.10 C ATOM 1297 CE1 PHE A 89 18.703 -22.621 22.911 1.00 11.12 C ATOM 1298 CE2 PHE A 89 20.786 -22.071 21.876 1.00 44.21 C ATOM 1299 CZ PHE A 89 20.067 -22.425 23.001 1.00 61.04 C ATOM 0 H PHE A 89 18.696 -24.230 18.471 1.00 14.14 H new ATOM 0 HA PHE A 89 16.376 -23.128 19.803 1.00 71.01 H new ATOM 0 HB2 PHE A 89 18.814 -21.913 18.447 1.00 62.54 H new ATOM 0 HB3 PHE A 89 17.569 -20.962 19.234 1.00 62.54 H new ATOM 0 HD1 PHE A 89 16.995 -22.614 21.633 1.00 14.04 H new ATOM 0 HD2 PHE A 89 20.708 -21.633 19.789 1.00 13.10 H new ATOM 0 HE1 PHE A 89 18.138 -22.900 23.788 1.00 11.12 H new ATOM 0 HE2 PHE A 89 21.853 -21.919 21.943 1.00 44.21 H new ATOM 0 HZ PHE A 89 20.570 -22.548 23.949 1.00 61.04 H new ATOM 1309 N SER A 90 14.919 -22.927 17.787 1.00 64.24 N ATOM 1310 CA SER A 90 14.018 -22.620 16.682 1.00 11.24 C ATOM 1311 C SER A 90 13.574 -21.161 16.733 1.00 2.04 C ATOM 1312 O SER A 90 13.272 -20.629 17.802 1.00 43.24 O ATOM 1313 CB SER A 90 12.795 -23.538 16.724 1.00 62.44 C ATOM 1314 OG SER A 90 12.223 -23.568 18.020 1.00 53.45 O ATOM 0 H SER A 90 14.468 -23.365 18.590 1.00 64.24 H new ATOM 0 HA SER A 90 14.557 -22.786 15.749 1.00 11.24 H new ATOM 0 HB2 SER A 90 12.053 -23.193 16.004 1.00 62.44 H new ATOM 0 HB3 SER A 90 13.083 -24.546 16.427 1.00 62.44 H new ATOM 0 HG SER A 90 11.442 -24.160 18.019 1.00 53.45 H new ATOM 1320 N VAL A 91 13.537 -20.519 15.570 1.00 64.22 N ATOM 1321 CA VAL A 91 13.130 -19.122 15.480 1.00 72.21 C ATOM 1322 C VAL A 91 12.068 -18.928 14.403 1.00 2.32 C ATOM 1323 O VAL A 91 12.344 -19.069 13.211 1.00 32.51 O ATOM 1324 CB VAL A 91 14.330 -18.206 15.174 1.00 74.12 C ATOM 1325 CG1 VAL A 91 13.920 -16.744 15.257 1.00 51.33 C ATOM 1326 CG2 VAL A 91 15.480 -18.501 16.124 1.00 4.41 C ATOM 0 H VAL A 91 13.784 -20.944 14.676 1.00 64.22 H new ATOM 0 HA VAL A 91 12.714 -18.850 16.450 1.00 72.21 H new ATOM 0 HB VAL A 91 14.668 -18.406 14.157 1.00 74.12 H new ATOM 0 HG11 VAL A 91 14.780 -16.112 15.038 1.00 51.33 H new ATOM 0 HG12 VAL A 91 13.130 -16.546 14.532 1.00 51.33 H new ATOM 0 HG13 VAL A 91 13.555 -16.525 16.260 1.00 51.33 H new ATOM 0 HG21 VAL A 91 16.320 -17.845 15.894 1.00 4.41 H new ATOM 0 HG22 VAL A 91 15.157 -18.330 17.151 1.00 4.41 H new ATOM 0 HG23 VAL A 91 15.789 -19.540 16.009 1.00 4.41 H new ATOM 1336 N LEU A 92 10.853 -18.602 14.830 1.00 3.34 N ATOM 1337 CA LEU A 92 9.748 -18.386 13.903 1.00 62.54 C ATOM 1338 C LEU A 92 9.497 -16.897 13.692 1.00 54.14 C ATOM 1339 O LEU A 92 9.459 -16.122 14.648 1.00 32.30 O ATOM 1340 CB LEU A 92 8.479 -19.061 14.426 1.00 53.33 C ATOM 1341 CG LEU A 92 8.558 -20.574 14.631 1.00 2.22 C ATOM 1342 CD1 LEU A 92 7.321 -21.080 15.358 1.00 45.54 C ATOM 1343 CD2 LEU A 92 8.723 -21.285 13.296 1.00 22.43 C ATOM 0 H LEU A 92 10.608 -18.481 15.813 1.00 3.34 H new ATOM 0 HA LEU A 92 10.018 -18.828 12.944 1.00 62.54 H new ATOM 0 HB2 LEU A 92 8.212 -18.599 15.377 1.00 53.33 H new ATOM 0 HB3 LEU A 92 7.667 -18.851 13.730 1.00 53.33 H new ATOM 0 HG LEU A 92 9.430 -20.793 15.247 1.00 2.22 H new ATOM 0 HD11 LEU A 92 7.395 -22.159 15.495 1.00 45.54 H new ATOM 0 HD12 LEU A 92 7.247 -20.595 16.331 1.00 45.54 H new ATOM 0 HD13 LEU A 92 6.433 -20.849 14.769 1.00 45.54 H new ATOM 0 HD21 LEU A 92 8.777 -22.361 13.461 1.00 22.43 H new ATOM 0 HD22 LEU A 92 7.870 -21.059 12.656 1.00 22.43 H new ATOM 0 HD23 LEU A 92 9.639 -20.945 12.814 1.00 22.43 H new ATOM 1355 N ILE A 93 9.323 -16.504 12.434 1.00 3.22 N ATOM 1356 CA ILE A 93 9.072 -15.108 12.099 1.00 53.14 C ATOM 1357 C ILE A 93 7.885 -14.976 11.151 1.00 53.34 C ATOM 1358 O ILE A 93 7.970 -15.338 9.978 1.00 41.31 O ATOM 1359 CB ILE A 93 10.306 -14.453 11.452 1.00 65.24 C ATOM 1360 CG1 ILE A 93 11.526 -14.600 12.364 1.00 32.02 C ATOM 1361 CG2 ILE A 93 10.034 -12.986 11.155 1.00 73.11 C ATOM 1362 CD1 ILE A 93 12.309 -15.872 12.127 1.00 74.45 C ATOM 0 H ILE A 93 9.351 -17.132 11.631 1.00 3.22 H new ATOM 0 HA ILE A 93 8.847 -14.595 13.034 1.00 53.14 H new ATOM 0 HB ILE A 93 10.516 -14.961 10.511 1.00 65.24 H new ATOM 0 HG12 ILE A 93 12.185 -13.745 12.216 1.00 32.02 H new ATOM 0 HG13 ILE A 93 11.198 -14.573 13.403 1.00 32.02 H new ATOM 0 HG21 ILE A 93 10.916 -12.538 10.698 1.00 73.11 H new ATOM 0 HG22 ILE A 93 9.189 -12.904 10.471 1.00 73.11 H new ATOM 0 HG23 ILE A 93 9.801 -12.464 12.083 1.00 73.11 H new ATOM 0 HD11 ILE A 93 13.159 -15.908 12.808 1.00 74.45 H new ATOM 0 HD12 ILE A 93 11.665 -16.734 12.303 1.00 74.45 H new ATOM 0 HD13 ILE A 93 12.668 -15.892 11.098 1.00 74.45 H new ATOM 1374 N GLY A 94 6.777 -14.452 11.667 1.00 31.42 N ATOM 1375 CA GLY A 94 5.588 -14.280 10.853 1.00 43.43 C ATOM 1376 C GLY A 94 4.564 -13.374 11.507 1.00 73.12 C ATOM 1377 O GLY A 94 4.655 -13.082 12.698 1.00 11.23 O ATOM 0 H GLY A 94 6.682 -14.144 12.635 1.00 31.42 H new ATOM 0 HA2 GLY A 94 5.871 -13.865 9.886 1.00 43.43 H new ATOM 0 HA3 GLY A 94 5.138 -15.254 10.663 1.00 43.43 H new ATOM 1381 N ASN A 95 3.586 -12.927 10.725 1.00 21.40 N ATOM 1382 CA ASN A 95 2.541 -12.047 11.235 1.00 20.43 C ATOM 1383 C ASN A 95 1.549 -12.823 12.097 1.00 61.24 C ATOM 1384 O ASN A 95 1.792 -13.975 12.456 1.00 22.31 O ATOM 1385 CB ASN A 95 1.806 -11.369 10.077 1.00 4.23 C ATOM 1386 CG ASN A 95 1.009 -12.353 9.243 1.00 51.51 C ATOM 1387 OD1 ASN A 95 1.318 -13.543 9.203 1.00 20.52 O ATOM 1388 ND2 ASN A 95 -0.024 -11.857 8.571 1.00 63.12 N ATOM 0 H ASN A 95 3.496 -13.160 9.736 1.00 21.40 H new ATOM 0 HA ASN A 95 3.013 -11.284 11.853 1.00 20.43 H new ATOM 0 HB2 ASN A 95 1.136 -10.606 10.473 1.00 4.23 H new ATOM 0 HB3 ASN A 95 2.529 -10.859 9.440 1.00 4.23 H new ATOM 0 HD21 ASN A 95 -0.598 -12.470 7.992 1.00 63.12 H new ATOM 0 HD22 ASN A 95 -0.243 -10.863 8.634 1.00 63.12 H new ATOM 1395 N ARG A 96 0.431 -12.184 12.423 1.00 12.21 N ATOM 1396 CA ARG A 96 -0.598 -12.813 13.242 1.00 22.25 C ATOM 1397 C ARG A 96 -0.961 -14.191 12.696 1.00 42.22 C ATOM 1398 O ARG A 96 -1.207 -15.126 13.457 1.00 4.42 O ATOM 1399 CB ARG A 96 -1.846 -11.930 13.299 1.00 22.24 C ATOM 1400 CG ARG A 96 -2.314 -11.629 14.713 1.00 14.54 C ATOM 1401 CD ARG A 96 -1.529 -10.480 15.328 1.00 62.53 C ATOM 1402 NE ARG A 96 -2.158 -9.977 16.546 1.00 41.34 N ATOM 1403 CZ ARG A 96 -3.179 -9.128 16.548 1.00 54.51 C ATOM 1404 NH1 ARG A 96 -3.685 -8.690 15.403 1.00 62.11 N ATOM 1405 NH2 ARG A 96 -3.698 -8.715 17.697 1.00 2.35 N ATOM 0 H ARG A 96 0.214 -11.231 12.132 1.00 12.21 H new ATOM 0 HA ARG A 96 -0.201 -12.934 14.250 1.00 22.25 H new ATOM 0 HB2 ARG A 96 -1.640 -10.991 12.786 1.00 22.24 H new ATOM 0 HB3 ARG A 96 -2.653 -12.420 12.755 1.00 22.24 H new ATOM 0 HG2 ARG A 96 -3.375 -11.380 14.701 1.00 14.54 H new ATOM 0 HG3 ARG A 96 -2.202 -12.519 15.332 1.00 14.54 H new ATOM 0 HD2 ARG A 96 -0.516 -10.813 15.554 1.00 62.53 H new ATOM 0 HD3 ARG A 96 -1.444 -9.670 14.603 1.00 62.53 H new ATOM 0 HE ARG A 96 -1.793 -10.295 17.444 1.00 41.34 H new ATOM 0 HH11 ARG A 96 -3.290 -9.005 14.517 1.00 62.11 H new ATOM 0 HH12 ARG A 96 -4.469 -8.038 15.408 1.00 62.11 H new ATOM 0 HH21 ARG A 96 -3.313 -9.050 18.580 1.00 2.35 H new ATOM 0 HH22 ARG A 96 -4.482 -8.063 17.697 1.00 2.35 H new ATOM 1419 N GLU A 97 -0.993 -14.307 11.372 1.00 43.11 N ATOM 1420 CA GLU A 97 -1.327 -15.570 10.724 1.00 11.14 C ATOM 1421 C GLU A 97 -0.481 -16.709 11.285 1.00 60.51 C ATOM 1422 O GLU A 97 -1.005 -17.649 11.883 1.00 62.42 O ATOM 1423 CB GLU A 97 -1.121 -15.463 9.212 1.00 73.41 C ATOM 1424 CG GLU A 97 -1.832 -16.550 8.423 1.00 62.31 C ATOM 1425 CD GLU A 97 -3.341 -16.466 8.542 1.00 11.31 C ATOM 1426 OE1 GLU A 97 -3.957 -15.720 7.752 1.00 51.10 O ATOM 1427 OE2 GLU A 97 -3.906 -17.144 9.425 1.00 71.42 O ATOM 0 H GLU A 97 -0.792 -13.542 10.728 1.00 43.11 H new ATOM 0 HA GLU A 97 -2.376 -15.786 10.926 1.00 11.14 H new ATOM 0 HB2 GLU A 97 -1.475 -14.489 8.873 1.00 73.41 H new ATOM 0 HB3 GLU A 97 -0.054 -15.507 8.995 1.00 73.41 H new ATOM 0 HG2 GLU A 97 -1.550 -16.475 7.373 1.00 62.31 H new ATOM 0 HG3 GLU A 97 -1.498 -17.526 8.774 1.00 62.31 H new ATOM 1434 N TRP A 98 0.829 -16.618 11.086 1.00 31.43 N ATOM 1435 CA TRP A 98 1.748 -17.642 11.571 1.00 2.31 C ATOM 1436 C TRP A 98 1.662 -17.777 13.087 1.00 0.24 C ATOM 1437 O TRP A 98 1.582 -18.885 13.618 1.00 30.34 O ATOM 1438 CB TRP A 98 3.182 -17.306 11.157 1.00 11.13 C ATOM 1439 CG TRP A 98 4.135 -18.449 11.334 1.00 35.41 C ATOM 1440 CD1 TRP A 98 5.331 -18.425 11.992 1.00 62.02 C ATOM 1441 CD2 TRP A 98 3.971 -19.785 10.845 1.00 54.24 C ATOM 1442 NE1 TRP A 98 5.921 -19.665 11.941 1.00 42.05 N ATOM 1443 CE2 TRP A 98 5.106 -20.517 11.243 1.00 2.12 C ATOM 1444 CE3 TRP A 98 2.975 -20.434 10.110 1.00 15.03 C ATOM 1445 CZ2 TRP A 98 5.271 -21.864 10.930 1.00 11.50 C ATOM 1446 CZ3 TRP A 98 3.140 -21.770 9.800 1.00 33.41 C ATOM 1447 CH2 TRP A 98 4.280 -22.474 10.210 1.00 1.20 C ATOM 0 H TRP A 98 1.279 -15.847 10.593 1.00 31.43 H new ATOM 0 HA TRP A 98 1.461 -18.594 11.124 1.00 2.31 H new ATOM 0 HB2 TRP A 98 3.188 -16.996 10.112 1.00 11.13 H new ATOM 0 HB3 TRP A 98 3.532 -16.456 11.743 1.00 11.13 H new ATOM 0 HD1 TRP A 98 5.752 -17.559 12.481 1.00 62.02 H new ATOM 0 HE1 TRP A 98 6.820 -19.911 12.356 1.00 42.05 H new ATOM 0 HE3 TRP A 98 2.092 -19.901 9.790 1.00 15.03 H new ATOM 0 HZ2 TRP A 98 6.150 -22.408 11.244 1.00 11.50 H new ATOM 0 HZ3 TRP A 98 2.377 -22.281 9.232 1.00 33.41 H new ATOM 0 HH2 TRP A 98 4.378 -23.518 9.953 1.00 1.20 H new ATOM 1458 N LEU A 99 1.679 -16.643 13.780 1.00 74.22 N ATOM 1459 CA LEU A 99 1.602 -16.635 15.237 1.00 71.34 C ATOM 1460 C LEU A 99 0.427 -17.477 15.724 1.00 10.25 C ATOM 1461 O LEU A 99 0.555 -18.246 16.677 1.00 61.42 O ATOM 1462 CB LEU A 99 1.466 -15.202 15.752 1.00 52.50 C ATOM 1463 CG LEU A 99 2.132 -14.906 17.096 1.00 14.53 C ATOM 1464 CD1 LEU A 99 1.613 -15.851 18.169 1.00 71.05 C ATOM 1465 CD2 LEU A 99 3.645 -15.011 16.977 1.00 40.24 C ATOM 0 H LEU A 99 1.745 -15.718 13.356 1.00 74.22 H new ATOM 0 HA LEU A 99 2.523 -17.069 15.628 1.00 71.34 H new ATOM 0 HB2 LEU A 99 1.885 -14.528 15.005 1.00 52.50 H new ATOM 0 HB3 LEU A 99 0.405 -14.966 15.835 1.00 52.50 H new ATOM 0 HG LEU A 99 1.881 -13.886 17.387 1.00 14.53 H new ATOM 0 HD11 LEU A 99 2.098 -15.625 19.118 1.00 71.05 H new ATOM 0 HD12 LEU A 99 0.535 -15.726 18.274 1.00 71.05 H new ATOM 0 HD13 LEU A 99 1.833 -16.880 17.885 1.00 71.05 H new ATOM 0 HD21 LEU A 99 4.102 -14.797 17.943 1.00 40.24 H new ATOM 0 HD22 LEU A 99 3.916 -16.019 16.663 1.00 40.24 H new ATOM 0 HD23 LEU A 99 4.003 -14.292 16.240 1.00 40.24 H new ATOM 1477 N ARG A 100 -0.717 -17.326 15.064 1.00 24.23 N ATOM 1478 CA ARG A 100 -1.914 -18.073 15.430 1.00 31.12 C ATOM 1479 C ARG A 100 -1.876 -19.482 14.845 1.00 52.20 C ATOM 1480 O ARG A 100 -2.482 -20.406 15.387 1.00 74.21 O ATOM 1481 CB ARG A 100 -3.166 -17.341 14.944 1.00 51.30 C ATOM 1482 CG ARG A 100 -4.446 -18.144 15.113 1.00 45.31 C ATOM 1483 CD ARG A 100 -4.810 -18.886 13.837 1.00 41.03 C ATOM 1484 NE ARG A 100 -5.995 -18.323 13.196 1.00 73.14 N ATOM 1485 CZ ARG A 100 -6.455 -18.727 12.017 1.00 72.42 C ATOM 1486 NH1 ARG A 100 -5.833 -19.693 11.354 1.00 2.43 N ATOM 1487 NH2 ARG A 100 -7.540 -18.166 11.499 1.00 73.33 N ATOM 0 H ARG A 100 -0.840 -16.693 14.273 1.00 24.23 H new ATOM 0 HA ARG A 100 -1.945 -18.150 16.517 1.00 31.12 H new ATOM 0 HB2 ARG A 100 -3.262 -16.402 15.489 1.00 51.30 H new ATOM 0 HB3 ARG A 100 -3.043 -17.088 13.891 1.00 51.30 H new ATOM 0 HG2 ARG A 100 -4.324 -18.857 15.928 1.00 45.31 H new ATOM 0 HG3 ARG A 100 -5.261 -17.477 15.392 1.00 45.31 H new ATOM 0 HD2 ARG A 100 -3.970 -18.848 13.143 1.00 41.03 H new ATOM 0 HD3 ARG A 100 -4.987 -19.937 14.066 1.00 41.03 H new ATOM 0 HE ARG A 100 -6.497 -17.579 13.680 1.00 73.14 H new ATOM 0 HH11 ARG A 100 -4.999 -20.128 11.749 1.00 2.43 H new ATOM 0 HH12 ARG A 100 -6.189 -20.001 10.449 1.00 2.43 H new ATOM 0 HH21 ARG A 100 -8.022 -17.424 12.006 1.00 73.33 H new ATOM 0 HH22 ARG A 100 -7.892 -18.477 10.594 1.00 73.33 H new ATOM 1501 N ARG A 101 -1.161 -19.637 13.736 1.00 61.12 N ATOM 1502 CA ARG A 101 -1.046 -20.932 13.076 1.00 24.22 C ATOM 1503 C ARG A 101 -0.381 -21.953 13.995 1.00 31.11 C ATOM 1504 O ARG A 101 -0.785 -23.114 14.045 1.00 54.14 O ATOM 1505 CB ARG A 101 -0.244 -20.799 11.780 1.00 3.32 C ATOM 1506 CG ARG A 101 -0.456 -21.950 10.811 1.00 20.43 C ATOM 1507 CD ARG A 101 0.416 -23.145 11.166 1.00 42.41 C ATOM 1508 NE ARG A 101 0.651 -24.012 10.015 1.00 41.25 N ATOM 1509 CZ ARG A 101 -0.290 -24.766 9.458 1.00 55.51 C ATOM 1510 NH1 ARG A 101 -1.524 -24.758 9.944 1.00 21.03 N ATOM 1511 NH2 ARG A 101 0.001 -25.529 8.412 1.00 12.51 N ATOM 0 H ARG A 101 -0.653 -18.882 13.275 1.00 61.12 H new ATOM 0 HA ARG A 101 -2.051 -21.281 12.839 1.00 24.22 H new ATOM 0 HB2 ARG A 101 -0.518 -19.866 11.288 1.00 3.32 H new ATOM 0 HB3 ARG A 101 0.816 -20.732 12.024 1.00 3.32 H new ATOM 0 HG2 ARG A 101 -1.505 -22.247 10.821 1.00 20.43 H new ATOM 0 HG3 ARG A 101 -0.228 -21.620 9.797 1.00 20.43 H new ATOM 0 HD2 ARG A 101 1.371 -22.794 11.556 1.00 42.41 H new ATOM 0 HD3 ARG A 101 -0.061 -23.719 11.961 1.00 42.41 H new ATOM 0 HE ARG A 101 1.590 -24.040 9.617 1.00 41.25 H new ATOM 0 HH11 ARG A 101 -1.752 -24.172 10.747 1.00 21.03 H new ATOM 0 HH12 ARG A 101 -2.245 -25.338 9.515 1.00 21.03 H new ATOM 0 HH21 ARG A 101 0.949 -25.537 8.035 1.00 12.51 H new ATOM 0 HH22 ARG A 101 -0.723 -26.107 7.986 1.00 12.51 H new ATOM 1525 N ASN A 102 0.641 -21.511 14.721 1.00 60.42 N ATOM 1526 CA ASN A 102 1.362 -22.387 15.637 1.00 5.14 C ATOM 1527 C ASN A 102 1.004 -22.071 17.086 1.00 21.44 C ATOM 1528 O ASN A 102 1.244 -22.876 17.986 1.00 41.14 O ATOM 1529 CB ASN A 102 2.872 -22.244 15.431 1.00 53.33 C ATOM 1530 CG ASN A 102 3.293 -20.801 15.227 1.00 70.34 C ATOM 1531 OD1 ASN A 102 3.185 -19.977 16.135 1.00 40.05 O ATOM 1532 ND2 ASN A 102 3.776 -20.490 14.029 1.00 1.04 N ATOM 0 H ASN A 102 0.988 -20.552 14.693 1.00 60.42 H new ATOM 0 HA ASN A 102 1.068 -23.415 15.424 1.00 5.14 H new ATOM 0 HB2 ASN A 102 3.394 -22.653 16.296 1.00 53.33 H new ATOM 0 HB3 ASN A 102 3.176 -22.834 14.566 1.00 53.33 H new ATOM 0 HD21 ASN A 102 4.076 -19.535 13.832 1.00 1.04 H new ATOM 0 HD22 ASN A 102 3.847 -21.206 13.306 1.00 1.04 H new ATOM 1539 N GLY A 103 0.427 -20.894 17.305 1.00 51.52 N ATOM 1540 CA GLY A 103 0.044 -20.492 18.646 1.00 61.31 C ATOM 1541 C GLY A 103 -1.244 -21.149 19.102 1.00 25.02 C ATOM 1542 O GLY A 103 -1.393 -21.491 20.276 1.00 23.30 O ATOM 0 H GLY A 103 0.218 -20.211 16.577 1.00 51.52 H new ATOM 0 HA2 GLY A 103 0.844 -20.747 19.341 1.00 61.31 H new ATOM 0 HA3 GLY A 103 -0.073 -19.409 18.678 1.00 61.31 H new ATOM 1546 N LEU A 104 -2.177 -21.325 18.174 1.00 54.51 N ATOM 1547 CA LEU A 104 -3.461 -21.943 18.487 1.00 22.52 C ATOM 1548 C LEU A 104 -4.093 -22.548 17.238 1.00 71.13 C ATOM 1549 O LEU A 104 -3.461 -22.626 16.184 1.00 60.13 O ATOM 1550 CB LEU A 104 -4.408 -20.914 19.105 1.00 15.01 C ATOM 1551 CG LEU A 104 -4.877 -21.204 20.531 1.00 30.14 C ATOM 1552 CD1 LEU A 104 -4.878 -19.931 21.362 1.00 0.55 C ATOM 1553 CD2 LEU A 104 -6.261 -21.837 20.520 1.00 51.42 C ATOM 0 H LEU A 104 -2.069 -21.049 17.198 1.00 54.51 H new ATOM 0 HA LEU A 104 -3.285 -22.743 19.206 1.00 22.52 H new ATOM 0 HB2 LEU A 104 -3.912 -19.943 19.097 1.00 15.01 H new ATOM 0 HB3 LEU A 104 -5.286 -20.828 18.465 1.00 15.01 H new ATOM 0 HG LEU A 104 -4.181 -21.909 20.985 1.00 30.14 H new ATOM 0 HD11 LEU A 104 -5.215 -20.157 22.374 1.00 0.55 H new ATOM 0 HD12 LEU A 104 -3.869 -19.520 21.399 1.00 0.55 H new ATOM 0 HD13 LEU A 104 -5.551 -19.202 20.910 1.00 0.55 H new ATOM 0 HD21 LEU A 104 -6.578 -22.036 21.544 1.00 51.42 H new ATOM 0 HD22 LEU A 104 -6.969 -21.156 20.047 1.00 51.42 H new ATOM 0 HD23 LEU A 104 -6.229 -22.773 19.962 1.00 51.42 H new ATOM 1609 N SER A 108 -11.245 -16.113 15.178 1.00 63.45 N ATOM 1610 CA SER A 108 -11.850 -15.101 14.320 1.00 72.31 C ATOM 1611 C SER A 108 -11.384 -13.704 14.717 1.00 53.33 C ATOM 1612 O SER A 108 -11.340 -12.794 13.889 1.00 44.15 O ATOM 1613 CB SER A 108 -13.376 -15.184 14.397 1.00 41.42 C ATOM 1614 OG SER A 108 -13.823 -16.518 14.234 1.00 75.25 O ATOM 0 HA SER A 108 -11.534 -15.292 13.294 1.00 72.31 H new ATOM 0 HB2 SER A 108 -13.716 -14.798 15.358 1.00 41.42 H new ATOM 0 HB3 SER A 108 -13.817 -14.553 13.626 1.00 41.42 H new ATOM 0 HG SER A 108 -13.133 -17.136 14.554 1.00 75.25 H new ATOM 1620 N ASP A 109 -11.039 -13.541 15.989 1.00 65.40 N ATOM 1621 CA ASP A 109 -10.575 -12.256 16.497 1.00 3.42 C ATOM 1622 C ASP A 109 -9.154 -11.965 16.024 1.00 51.53 C ATOM 1623 O ASP A 109 -8.850 -10.855 15.585 1.00 61.44 O ATOM 1624 CB ASP A 109 -10.630 -12.237 18.026 1.00 60.34 C ATOM 1625 CG ASP A 109 -10.918 -10.855 18.578 1.00 30.20 C ATOM 1626 OD1 ASP A 109 -11.784 -10.158 18.010 1.00 72.33 O ATOM 1627 OD2 ASP A 109 -10.277 -10.470 19.578 1.00 24.12 O ATOM 0 H ASP A 109 -11.072 -14.283 16.688 1.00 65.40 H new ATOM 0 HA ASP A 109 -11.235 -11.481 16.108 1.00 3.42 H new ATOM 0 HB2 ASP A 109 -11.400 -12.929 18.368 1.00 60.34 H new ATOM 0 HB3 ASP A 109 -9.681 -12.594 18.425 1.00 60.34 H new ATOM 1632 N VAL A 110 -8.287 -12.968 16.117 1.00 73.01 N ATOM 1633 CA VAL A 110 -6.899 -12.820 15.698 1.00 24.12 C ATOM 1634 C VAL A 110 -6.801 -12.560 14.199 1.00 13.02 C ATOM 1635 O VAL A 110 -6.056 -11.685 13.758 1.00 73.24 O ATOM 1636 CB VAL A 110 -6.071 -14.072 16.046 1.00 52.13 C ATOM 1637 CG1 VAL A 110 -4.633 -13.908 15.579 1.00 3.35 C ATOM 1638 CG2 VAL A 110 -6.128 -14.349 17.540 1.00 24.33 C ATOM 0 H VAL A 110 -8.522 -13.892 16.479 1.00 73.01 H new ATOM 0 HA VAL A 110 -6.495 -11.964 16.239 1.00 24.12 H new ATOM 0 HB VAL A 110 -6.501 -14.928 15.525 1.00 52.13 H new ATOM 0 HG11 VAL A 110 -4.064 -14.802 15.833 1.00 3.35 H new ATOM 0 HG12 VAL A 110 -4.616 -13.762 14.499 1.00 3.35 H new ATOM 0 HG13 VAL A 110 -4.188 -13.042 16.069 1.00 3.35 H new ATOM 0 HG21 VAL A 110 -5.538 -15.237 17.768 1.00 24.33 H new ATOM 0 HG22 VAL A 110 -5.724 -13.495 18.084 1.00 24.33 H new ATOM 0 HG23 VAL A 110 -7.163 -14.514 17.840 1.00 24.33 H new ATOM 1648 N SER A 111 -7.560 -13.325 13.421 1.00 64.51 N ATOM 1649 CA SER A 111 -7.557 -13.180 11.970 1.00 62.31 C ATOM 1650 C SER A 111 -8.176 -11.849 11.556 1.00 41.21 C ATOM 1651 O SER A 111 -7.647 -11.147 10.694 1.00 5.32 O ATOM 1652 CB SER A 111 -8.321 -14.335 11.319 1.00 23.12 C ATOM 1653 OG SER A 111 -7.577 -14.902 10.254 1.00 35.43 O ATOM 0 H SER A 111 -8.185 -14.051 13.771 1.00 64.51 H new ATOM 0 HA SER A 111 -6.522 -13.201 11.630 1.00 62.31 H new ATOM 0 HB2 SER A 111 -8.535 -15.100 12.065 1.00 23.12 H new ATOM 0 HB3 SER A 111 -9.280 -13.976 10.946 1.00 23.12 H new ATOM 0 HG SER A 111 -8.086 -15.639 9.856 1.00 35.43 H new ATOM 1659 N ASP A 112 -9.300 -11.508 12.176 1.00 31.22 N ATOM 1660 CA ASP A 112 -9.992 -10.261 11.874 1.00 13.31 C ATOM 1661 C ASP A 112 -9.091 -9.060 12.144 1.00 11.04 C ATOM 1662 O ASP A 112 -9.041 -8.118 11.354 1.00 73.43 O ATOM 1663 CB ASP A 112 -11.273 -10.150 12.703 1.00 50.42 C ATOM 1664 CG ASP A 112 -12.069 -8.902 12.373 1.00 34.45 C ATOM 1665 OD1 ASP A 112 -12.842 -8.934 11.393 1.00 34.24 O ATOM 1666 OD2 ASP A 112 -11.919 -7.894 13.095 1.00 30.12 O ATOM 0 H ASP A 112 -9.752 -12.078 12.891 1.00 31.22 H new ATOM 0 HA ASP A 112 -10.253 -10.266 10.816 1.00 13.31 H new ATOM 0 HB2 ASP A 112 -11.893 -11.030 12.529 1.00 50.42 H new ATOM 0 HB3 ASP A 112 -11.018 -10.145 13.763 1.00 50.42 H new ATOM 1671 N ALA A 113 -8.381 -9.100 13.267 1.00 32.22 N ATOM 1672 CA ALA A 113 -7.481 -8.016 13.641 1.00 33.33 C ATOM 1673 C ALA A 113 -6.278 -7.954 12.707 1.00 70.54 C ATOM 1674 O ALA A 113 -5.866 -6.876 12.281 1.00 51.12 O ATOM 1675 CB ALA A 113 -7.024 -8.184 15.083 1.00 52.31 C ATOM 0 H ALA A 113 -8.412 -9.872 13.933 1.00 32.22 H new ATOM 0 HA ALA A 113 -8.026 -7.077 13.551 1.00 33.33 H new ATOM 0 HB1 ALA A 113 -6.352 -7.368 15.349 1.00 52.31 H new ATOM 0 HB2 ALA A 113 -7.891 -8.171 15.743 1.00 52.31 H new ATOM 0 HB3 ALA A 113 -6.501 -9.134 15.190 1.00 52.31 H new ATOM 1681 N MET A 114 -5.718 -9.118 12.392 1.00 34.22 N ATOM 1682 CA MET A 114 -4.562 -9.195 11.507 1.00 30.20 C ATOM 1683 C MET A 114 -4.850 -8.508 10.176 1.00 44.11 C ATOM 1684 O MET A 114 -4.105 -7.626 9.746 1.00 24.25 O ATOM 1685 CB MET A 114 -4.173 -10.655 11.267 1.00 70.21 C ATOM 1686 CG MET A 114 -2.871 -10.819 10.499 1.00 13.12 C ATOM 1687 SD MET A 114 -3.119 -10.863 8.714 1.00 63.42 S ATOM 1688 CE MET A 114 -3.854 -12.485 8.514 1.00 4.41 C ATOM 0 H MET A 114 -6.046 -10.020 12.737 1.00 34.22 H new ATOM 0 HA MET A 114 -3.731 -8.680 11.989 1.00 30.20 H new ATOM 0 HB2 MET A 114 -4.085 -11.162 12.228 1.00 70.21 H new ATOM 0 HB3 MET A 114 -4.974 -11.150 10.718 1.00 70.21 H new ATOM 0 HG2 MET A 114 -2.200 -9.997 10.749 1.00 13.12 H new ATOM 0 HG3 MET A 114 -2.380 -11.739 10.817 1.00 13.12 H new ATOM 0 HE1 MET A 114 -3.711 -12.825 7.488 1.00 4.41 H new ATOM 0 HE2 MET A 114 -3.378 -13.187 9.199 1.00 4.41 H new ATOM 0 HE3 MET A 114 -4.920 -12.431 8.733 1.00 4.41 H new ATOM 1698 N THR A 115 -5.935 -8.917 9.526 1.00 43.12 N ATOM 1699 CA THR A 115 -6.320 -8.342 8.243 1.00 5.22 C ATOM 1700 C THR A 115 -6.828 -6.915 8.411 1.00 12.40 C ATOM 1701 O THR A 115 -6.652 -6.075 7.528 1.00 1.23 O ATOM 1702 CB THR A 115 -7.408 -9.185 7.553 1.00 34.04 C ATOM 1703 OG1 THR A 115 -7.525 -10.458 8.199 1.00 11.44 O ATOM 1704 CG2 THR A 115 -7.085 -9.386 6.081 1.00 53.05 C ATOM 0 H THR A 115 -6.563 -9.645 9.867 1.00 43.12 H new ATOM 0 HA THR A 115 -5.427 -8.336 7.619 1.00 5.22 H new ATOM 0 HB THR A 115 -8.354 -8.650 7.631 1.00 34.04 H new ATOM 0 HG1 THR A 115 -7.930 -10.340 9.083 1.00 11.44 H new ATOM 0 HG21 THR A 115 -7.868 -9.984 5.615 1.00 53.05 H new ATOM 0 HG22 THR A 115 -7.026 -8.417 5.586 1.00 53.05 H new ATOM 0 HG23 THR A 115 -6.129 -9.901 5.985 1.00 53.05 H new ATOM 1712 N ASP A 116 -7.459 -6.647 9.549 1.00 52.51 N ATOM 1713 CA ASP A 116 -7.992 -5.319 9.833 1.00 33.22 C ATOM 1714 C ASP A 116 -6.888 -4.268 9.781 1.00 54.30 C ATOM 1715 O ASP A 116 -7.068 -3.191 9.210 1.00 32.50 O ATOM 1716 CB ASP A 116 -8.667 -5.301 11.206 1.00 50.54 C ATOM 1717 CG ASP A 116 -8.779 -3.901 11.777 1.00 41.42 C ATOM 1718 OD1 ASP A 116 -9.616 -3.121 11.276 1.00 64.04 O ATOM 1719 OD2 ASP A 116 -8.029 -3.584 12.724 1.00 31.44 O ATOM 0 H ASP A 116 -7.614 -7.331 10.290 1.00 52.51 H new ATOM 0 HA ASP A 116 -8.732 -5.080 9.069 1.00 33.22 H new ATOM 0 HB2 ASP A 116 -9.662 -5.738 11.124 1.00 50.54 H new ATOM 0 HB3 ASP A 116 -8.100 -5.927 11.895 1.00 50.54 H new ATOM 1724 N HIS A 117 -5.746 -4.586 10.381 1.00 0.15 N ATOM 1725 CA HIS A 117 -4.612 -3.668 10.404 1.00 75.12 C ATOM 1726 C HIS A 117 -3.813 -3.760 9.108 1.00 70.54 C ATOM 1727 O HIS A 117 -3.276 -2.763 8.627 1.00 71.10 O ATOM 1728 CB HIS A 117 -3.707 -3.972 11.598 1.00 50.51 C ATOM 1729 CG HIS A 117 -3.808 -2.961 12.698 1.00 10.43 C ATOM 1730 ND1 HIS A 117 -3.961 -3.305 14.025 1.00 51.22 N ATOM 1731 CD2 HIS A 117 -3.775 -1.608 12.664 1.00 53.15 C ATOM 1732 CE1 HIS A 117 -4.020 -2.208 14.758 1.00 1.51 C ATOM 1733 NE2 HIS A 117 -3.909 -1.164 13.956 1.00 11.11 N ATOM 0 H HIS A 117 -5.581 -5.472 10.858 1.00 0.15 H new ATOM 0 HA HIS A 117 -4.999 -2.654 10.500 1.00 75.12 H new ATOM 0 HB2 HIS A 117 -3.961 -4.955 11.995 1.00 50.51 H new ATOM 0 HB3 HIS A 117 -2.673 -4.023 11.256 1.00 50.51 H new ATOM 0 HD2 HIS A 117 -3.664 -0.992 11.784 1.00 53.15 H new ATOM 0 HE1 HIS A 117 -4.139 -2.171 15.831 1.00 1.51 H new ATOM 0 HE2 HIS A 117 -3.921 -0.187 14.249 1.00 11.11 H new ATOM 1741 N GLU A 118 -3.738 -4.964 8.548 1.00 35.23 N ATOM 1742 CA GLU A 118 -3.003 -5.186 7.309 1.00 41.41 C ATOM 1743 C GLU A 118 -3.622 -4.395 6.160 1.00 12.20 C ATOM 1744 O GLU A 118 -2.951 -4.077 5.179 1.00 2.41 O ATOM 1745 CB GLU A 118 -2.980 -6.676 6.963 1.00 40.13 C ATOM 1746 CG GLU A 118 -1.683 -7.369 7.344 1.00 30.51 C ATOM 1747 CD GLU A 118 -0.908 -7.862 6.137 1.00 10.14 C ATOM 1748 OE1 GLU A 118 -0.754 -7.082 5.174 1.00 65.42 O ATOM 1749 OE2 GLU A 118 -0.457 -9.026 6.156 1.00 5.10 O ATOM 0 H GLU A 118 -4.177 -5.800 8.933 1.00 35.23 H new ATOM 0 HA GLU A 118 -1.980 -4.839 7.456 1.00 41.41 H new ATOM 0 HB2 GLU A 118 -3.809 -7.171 7.469 1.00 40.13 H new ATOM 0 HB3 GLU A 118 -3.144 -6.794 5.892 1.00 40.13 H new ATOM 0 HG2 GLU A 118 -1.061 -6.679 7.914 1.00 30.51 H new ATOM 0 HG3 GLU A 118 -1.905 -8.212 7.998 1.00 30.51 H new ATOM 1756 N MET A 119 -4.907 -4.082 6.290 1.00 53.00 N ATOM 1757 CA MET A 119 -5.617 -3.328 5.263 1.00 34.13 C ATOM 1758 C MET A 119 -5.083 -1.902 5.169 1.00 73.44 C ATOM 1759 O MET A 119 -5.374 -1.181 4.214 1.00 72.52 O ATOM 1760 CB MET A 119 -7.117 -3.304 5.564 1.00 74.34 C ATOM 1761 CG MET A 119 -7.949 -2.679 4.455 1.00 31.15 C ATOM 1762 SD MET A 119 -9.346 -3.710 3.970 1.00 71.35 S ATOM 1763 CE MET A 119 -10.254 -2.578 2.920 1.00 11.33 C ATOM 0 H MET A 119 -5.478 -4.338 7.096 1.00 53.00 H new ATOM 0 HA MET A 119 -5.453 -3.823 4.306 1.00 34.13 H new ATOM 0 HB2 MET A 119 -7.461 -4.324 5.735 1.00 74.34 H new ATOM 0 HB3 MET A 119 -7.285 -2.752 6.489 1.00 74.34 H new ATOM 0 HG2 MET A 119 -8.317 -1.708 4.785 1.00 31.15 H new ATOM 0 HG3 MET A 119 -7.315 -2.501 3.586 1.00 31.15 H new ATOM 0 HE1 MET A 119 -11.149 -3.072 2.541 1.00 11.33 H new ATOM 0 HE2 MET A 119 -10.541 -1.698 3.496 1.00 11.33 H new ATOM 0 HE3 MET A 119 -9.625 -2.274 2.083 1.00 11.33 H new ATOM 1773 N LYS A 120 -4.301 -1.501 6.165 1.00 62.14 N ATOM 1774 CA LYS A 120 -3.725 -0.162 6.194 1.00 43.02 C ATOM 1775 C LYS A 120 -2.336 -0.153 5.562 1.00 14.02 C ATOM 1776 O LYS A 120 -1.709 0.897 5.434 1.00 2.42 O ATOM 1777 CB LYS A 120 -3.645 0.350 7.634 1.00 62.21 C ATOM 1778 CG LYS A 120 -4.503 1.576 7.892 1.00 44.51 C ATOM 1779 CD LYS A 120 -5.554 1.308 8.956 1.00 43.11 C ATOM 1780 CE LYS A 120 -5.088 1.770 10.328 1.00 31.23 C ATOM 1781 NZ LYS A 120 -6.218 2.276 11.156 1.00 21.41 N ATOM 0 H LYS A 120 -4.051 -2.085 6.963 1.00 62.14 H new ATOM 0 HA LYS A 120 -4.372 0.497 5.616 1.00 43.02 H new ATOM 0 HB2 LYS A 120 -3.952 -0.447 8.312 1.00 62.21 H new ATOM 0 HB3 LYS A 120 -2.607 0.587 7.869 1.00 62.21 H new ATOM 0 HG2 LYS A 120 -3.869 2.405 8.206 1.00 44.51 H new ATOM 0 HG3 LYS A 120 -4.991 1.881 6.966 1.00 44.51 H new ATOM 0 HD2 LYS A 120 -6.479 1.821 8.693 1.00 43.11 H new ATOM 0 HD3 LYS A 120 -5.779 0.242 8.987 1.00 43.11 H new ATOM 0 HE2 LYS A 120 -4.602 0.942 10.844 1.00 31.23 H new ATOM 0 HE3 LYS A 120 -4.342 2.556 10.212 1.00 31.23 H new ATOM 0 HZ1 LYS A 120 -5.859 2.581 12.083 1.00 21.41 H new ATOM 0 HZ2 LYS A 120 -6.667 3.082 10.676 1.00 21.41 H new ATOM 0 HZ3 LYS A 120 -6.918 1.518 11.288 1.00 21.41 H new ATOM 1795 N GLY A 121 -1.863 -1.331 5.167 1.00 21.13 N ATOM 1796 CA GLY A 121 -0.553 -1.436 4.552 1.00 5.45 C ATOM 1797 C GLY A 121 0.532 -1.780 5.554 1.00 70.11 C ATOM 1798 O GLY A 121 1.657 -2.101 5.173 1.00 62.42 O ATOM 0 H GLY A 121 -2.364 -2.215 5.262 1.00 21.13 H new ATOM 0 HA2 GLY A 121 -0.580 -2.199 3.774 1.00 5.45 H new ATOM 0 HA3 GLY A 121 -0.307 -0.493 4.064 1.00 5.45 H new ATOM 1802 N GLN A 122 0.194 -1.712 6.837 1.00 14.53 N ATOM 1803 CA GLN A 122 1.149 -2.017 7.896 1.00 53.40 C ATOM 1804 C GLN A 122 1.411 -3.517 7.977 1.00 41.23 C ATOM 1805 O GLN A 122 0.514 -4.329 7.748 1.00 13.42 O ATOM 1806 CB GLN A 122 0.632 -1.504 9.241 1.00 32.24 C ATOM 1807 CG GLN A 122 1.622 -0.614 9.975 1.00 42.05 C ATOM 1808 CD GLN A 122 2.214 -1.284 11.199 1.00 14.11 C ATOM 1809 OE1 GLN A 122 2.608 -2.543 11.053 1.00 31.34 O flip ATOM 1810 NE2 GLN A 122 2.315 -0.676 12.265 1.00 61.42 N flip ATOM 0 H GLN A 122 -0.734 -1.448 7.169 1.00 14.53 H new ATOM 0 HA GLN A 122 2.087 -1.515 7.660 1.00 53.40 H new ATOM 0 HB2 GLN A 122 -0.291 -0.948 9.078 1.00 32.24 H new ATOM 0 HB3 GLN A 122 0.384 -2.356 9.874 1.00 32.24 H new ATOM 0 HG2 GLN A 122 2.426 -0.333 9.295 1.00 42.05 H new ATOM 0 HG3 GLN A 122 1.123 0.307 10.276 1.00 42.05 H new ATOM 0 HE21 GLN A 122 1.999 0.292 12.332 1.00 61.42 H new ATOM 0 HE22 GLN A 122 2.715 -1.140 13.081 1.00 61.42 H new ATOM 1819 N THR A 123 2.648 -3.880 8.303 1.00 52.31 N ATOM 1820 CA THR A 123 3.029 -5.282 8.412 1.00 21.12 C ATOM 1821 C THR A 123 3.633 -5.583 9.779 1.00 0.32 C ATOM 1822 O THR A 123 4.774 -5.216 10.058 1.00 0.04 O ATOM 1823 CB THR A 123 4.040 -5.676 7.319 1.00 22.20 C ATOM 1824 OG1 THR A 123 4.099 -4.657 6.315 1.00 14.32 O ATOM 1825 CG2 THR A 123 3.657 -7.003 6.680 1.00 11.43 C ATOM 0 H THR A 123 3.403 -3.222 8.496 1.00 52.31 H new ATOM 0 HA THR A 123 2.119 -5.868 8.283 1.00 21.12 H new ATOM 0 HB THR A 123 5.020 -5.784 7.784 1.00 22.20 H new ATOM 0 HG1 THR A 123 4.477 -5.030 5.492 1.00 14.32 H new ATOM 0 HG21 THR A 123 4.386 -7.260 5.911 1.00 11.43 H new ATOM 0 HG22 THR A 123 3.642 -7.783 7.442 1.00 11.43 H new ATOM 0 HG23 THR A 123 2.668 -6.918 6.229 1.00 11.43 H new ATOM 1833 N ALA A 124 2.860 -6.253 10.628 1.00 44.12 N ATOM 1834 CA ALA A 124 3.321 -6.605 11.965 1.00 31.22 C ATOM 1835 C ALA A 124 3.876 -8.025 11.998 1.00 21.13 C ATOM 1836 O ALA A 124 3.121 -8.997 11.967 1.00 63.52 O ATOM 1837 CB ALA A 124 2.188 -6.456 12.970 1.00 40.12 C ATOM 0 H ALA A 124 1.912 -6.563 10.413 1.00 44.12 H new ATOM 0 HA ALA A 124 4.126 -5.922 12.237 1.00 31.22 H new ATOM 0 HB1 ALA A 124 2.546 -6.722 13.964 1.00 40.12 H new ATOM 0 HB2 ALA A 124 1.839 -5.423 12.974 1.00 40.12 H new ATOM 0 HB3 ALA A 124 1.366 -7.116 12.692 1.00 40.12 H new ATOM 1843 N ILE A 125 5.199 -8.137 12.061 1.00 14.22 N ATOM 1844 CA ILE A 125 5.854 -9.438 12.099 1.00 72.32 C ATOM 1845 C ILE A 125 6.275 -9.801 13.519 1.00 75.10 C ATOM 1846 O ILE A 125 6.967 -9.034 14.188 1.00 3.54 O ATOM 1847 CB ILE A 125 7.092 -9.472 11.184 1.00 5.32 C ATOM 1848 CG1 ILE A 125 6.753 -8.896 9.808 1.00 72.22 C ATOM 1849 CG2 ILE A 125 7.617 -10.894 11.055 1.00 43.21 C ATOM 1850 CD1 ILE A 125 7.936 -8.843 8.867 1.00 53.54 C ATOM 0 H ILE A 125 5.838 -7.342 12.087 1.00 14.22 H new ATOM 0 HA ILE A 125 5.127 -10.167 11.741 1.00 72.32 H new ATOM 0 HB ILE A 125 7.873 -8.857 11.632 1.00 5.32 H new ATOM 0 HG12 ILE A 125 5.965 -9.498 9.355 1.00 72.22 H new ATOM 0 HG13 ILE A 125 6.353 -7.890 9.933 1.00 72.22 H new ATOM 0 HG21 ILE A 125 8.492 -10.901 10.405 1.00 43.21 H new ATOM 0 HG22 ILE A 125 7.893 -11.271 12.040 1.00 43.21 H new ATOM 0 HG23 ILE A 125 6.842 -11.530 10.627 1.00 43.21 H new ATOM 0 HD11 ILE A 125 7.622 -8.424 7.911 1.00 53.54 H new ATOM 0 HD12 ILE A 125 8.717 -8.217 9.299 1.00 53.54 H new ATOM 0 HD13 ILE A 125 8.323 -9.850 8.712 1.00 53.54 H new ATOM 1862 N LEU A 126 5.853 -10.976 13.973 1.00 61.32 N ATOM 1863 CA LEU A 126 6.188 -11.443 15.314 1.00 75.32 C ATOM 1864 C LEU A 126 7.312 -12.473 15.267 1.00 34.22 C ATOM 1865 O LEU A 126 7.366 -13.308 14.364 1.00 41.01 O ATOM 1866 CB LEU A 126 4.954 -12.048 15.987 1.00 1.20 C ATOM 1867 CG LEU A 126 3.655 -11.255 15.843 1.00 14.12 C ATOM 1868 CD1 LEU A 126 2.625 -12.055 15.061 1.00 32.10 C ATOM 1869 CD2 LEU A 126 3.109 -10.873 17.211 1.00 12.24 C ATOM 0 H LEU A 126 5.278 -11.623 13.433 1.00 61.32 H new ATOM 0 HA LEU A 126 6.529 -10.587 15.896 1.00 75.32 H new ATOM 0 HB2 LEU A 126 4.794 -13.046 15.578 1.00 1.20 H new ATOM 0 HB3 LEU A 126 5.167 -12.169 17.049 1.00 1.20 H new ATOM 0 HG LEU A 126 3.870 -10.340 15.291 1.00 14.12 H new ATOM 0 HD11 LEU A 126 1.707 -11.475 14.969 1.00 32.10 H new ATOM 0 HD12 LEU A 126 3.015 -12.278 14.068 1.00 32.10 H new ATOM 0 HD13 LEU A 126 2.414 -12.987 15.585 1.00 32.10 H new ATOM 0 HD21 LEU A 126 2.184 -10.309 17.089 1.00 12.24 H new ATOM 0 HD22 LEU A 126 2.910 -11.776 17.788 1.00 12.24 H new ATOM 0 HD23 LEU A 126 3.841 -10.260 17.737 1.00 12.24 H new ATOM 1881 N VAL A 127 8.207 -12.410 16.248 1.00 15.31 N ATOM 1882 CA VAL A 127 9.328 -13.339 16.321 1.00 11.22 C ATOM 1883 C VAL A 127 9.228 -14.225 17.558 1.00 52.32 C ATOM 1884 O VAL A 127 9.127 -13.731 18.681 1.00 64.43 O ATOM 1885 CB VAL A 127 10.675 -12.592 16.346 1.00 53.02 C ATOM 1886 CG1 VAL A 127 11.826 -13.560 16.121 1.00 24.05 C ATOM 1887 CG2 VAL A 127 10.688 -11.484 15.304 1.00 42.14 C ATOM 0 H VAL A 127 8.177 -11.725 17.003 1.00 15.31 H new ATOM 0 HA VAL A 127 9.282 -13.961 15.427 1.00 11.22 H new ATOM 0 HB VAL A 127 10.801 -12.137 17.329 1.00 53.02 H new ATOM 0 HG11 VAL A 127 12.769 -13.015 16.142 1.00 24.05 H new ATOM 0 HG12 VAL A 127 11.826 -14.315 16.907 1.00 24.05 H new ATOM 0 HG13 VAL A 127 11.709 -14.046 15.152 1.00 24.05 H new ATOM 0 HG21 VAL A 127 11.647 -10.966 15.335 1.00 42.14 H new ATOM 0 HG22 VAL A 127 10.540 -11.914 14.314 1.00 42.14 H new ATOM 0 HG23 VAL A 127 9.887 -10.776 15.516 1.00 42.14 H new ATOM 1897 N ALA A 128 9.256 -15.536 17.343 1.00 3.04 N ATOM 1898 CA ALA A 128 9.171 -16.491 18.441 1.00 64.51 C ATOM 1899 C ALA A 128 10.411 -17.378 18.494 1.00 73.54 C ATOM 1900 O ALA A 128 10.877 -17.871 17.466 1.00 42.32 O ATOM 1901 CB ALA A 128 7.917 -17.342 18.305 1.00 51.44 C ATOM 0 H ALA A 128 9.337 -15.961 16.419 1.00 3.04 H new ATOM 0 HA ALA A 128 9.117 -15.930 19.374 1.00 64.51 H new ATOM 0 HB1 ALA A 128 7.867 -18.051 19.132 1.00 51.44 H new ATOM 0 HB2 ALA A 128 7.037 -16.699 18.324 1.00 51.44 H new ATOM 0 HB3 ALA A 128 7.948 -17.887 17.361 1.00 51.44 H new ATOM 1907 N ILE A 129 10.939 -17.578 19.696 1.00 3.53 N ATOM 1908 CA ILE A 129 12.124 -18.406 19.882 1.00 44.33 C ATOM 1909 C ILE A 129 11.857 -19.535 20.871 1.00 14.20 C ATOM 1910 O ILE A 129 11.381 -19.301 21.982 1.00 4.43 O ATOM 1911 CB ILE A 129 13.320 -17.574 20.381 1.00 2.52 C ATOM 1912 CG1 ILE A 129 12.940 -16.804 21.648 1.00 25.21 C ATOM 1913 CG2 ILE A 129 13.790 -16.617 19.295 1.00 25.43 C ATOM 1914 CD1 ILE A 129 13.753 -17.200 22.861 1.00 14.34 C ATOM 0 H ILE A 129 10.565 -17.178 20.556 1.00 3.53 H new ATOM 0 HA ILE A 129 12.368 -18.830 18.908 1.00 44.33 H new ATOM 0 HB ILE A 129 14.140 -18.251 20.621 1.00 2.52 H new ATOM 0 HG12 ILE A 129 13.068 -15.737 21.467 1.00 25.21 H new ATOM 0 HG13 ILE A 129 11.883 -16.967 21.860 1.00 25.21 H new ATOM 0 HG21 ILE A 129 14.636 -16.036 19.663 1.00 25.43 H new ATOM 0 HG22 ILE A 129 14.095 -17.185 18.416 1.00 25.43 H new ATOM 0 HG23 ILE A 129 12.976 -15.943 19.027 1.00 25.43 H new ATOM 0 HD11 ILE A 129 13.430 -16.615 23.722 1.00 14.34 H new ATOM 0 HD12 ILE A 129 13.606 -18.260 23.067 1.00 14.34 H new ATOM 0 HD13 ILE A 129 14.809 -17.011 22.669 1.00 14.34 H new ATOM 1926 N ASP A 130 12.166 -20.760 20.460 1.00 3.42 N ATOM 1927 CA ASP A 130 11.962 -21.926 21.311 1.00 21.03 C ATOM 1928 C ASP A 130 10.537 -21.959 21.855 1.00 61.32 C ATOM 1929 O ASP A 130 10.321 -22.179 23.046 1.00 62.12 O ATOM 1930 CB ASP A 130 12.963 -21.921 22.468 1.00 35.22 C ATOM 1931 CG ASP A 130 14.313 -21.365 22.063 1.00 3.53 C ATOM 1932 OD1 ASP A 130 14.847 -21.800 21.021 1.00 13.02 O ATOM 1933 OD2 ASP A 130 14.837 -20.493 22.788 1.00 54.30 O ATOM 0 H ASP A 130 12.559 -20.971 19.543 1.00 3.42 H new ATOM 0 HA ASP A 130 12.122 -22.819 20.706 1.00 21.03 H new ATOM 0 HB2 ASP A 130 12.561 -21.328 23.290 1.00 35.22 H new ATOM 0 HB3 ASP A 130 13.089 -22.938 22.840 1.00 35.22 H new ATOM 1938 N GLY A 131 9.567 -21.738 20.973 1.00 61.44 N ATOM 1939 CA GLY A 131 8.175 -21.746 21.383 1.00 22.20 C ATOM 1940 C GLY A 131 7.851 -20.629 22.354 1.00 11.35 C ATOM 1941 O GLY A 131 6.895 -20.723 23.124 1.00 33.11 O ATOM 0 H GLY A 131 9.720 -21.554 19.982 1.00 61.44 H new ATOM 0 HA2 GLY A 131 7.539 -21.654 20.502 1.00 22.20 H new ATOM 0 HA3 GLY A 131 7.941 -22.705 21.846 1.00 22.20 H new ATOM 1945 N VAL A 132 8.650 -19.567 22.321 1.00 41.00 N ATOM 1946 CA VAL A 132 8.444 -18.427 23.206 1.00 53.54 C ATOM 1947 C VAL A 132 8.545 -17.112 22.440 1.00 4.14 C ATOM 1948 O VAL A 132 9.627 -16.719 22.001 1.00 52.33 O ATOM 1949 CB VAL A 132 9.466 -18.418 24.358 1.00 40.43 C ATOM 1950 CG1 VAL A 132 9.149 -17.305 25.345 1.00 53.32 C ATOM 1951 CG2 VAL A 132 9.493 -19.769 25.056 1.00 42.03 C ATOM 0 H VAL A 132 9.446 -19.473 21.691 1.00 41.00 H new ATOM 0 HA VAL A 132 7.441 -18.526 23.622 1.00 53.54 H new ATOM 0 HB VAL A 132 10.455 -18.230 23.941 1.00 40.43 H new ATOM 0 HG11 VAL A 132 9.882 -17.315 26.152 1.00 53.32 H new ATOM 0 HG12 VAL A 132 9.185 -16.343 24.833 1.00 53.32 H new ATOM 0 HG13 VAL A 132 8.152 -17.458 25.758 1.00 53.32 H new ATOM 0 HG21 VAL A 132 10.221 -19.745 25.867 1.00 42.03 H new ATOM 0 HG22 VAL A 132 8.505 -19.989 25.461 1.00 42.03 H new ATOM 0 HG23 VAL A 132 9.773 -20.543 24.341 1.00 42.03 H new ATOM 1961 N LEU A 133 7.413 -16.435 22.285 1.00 72.42 N ATOM 1962 CA LEU A 133 7.373 -15.163 21.572 1.00 4.15 C ATOM 1963 C LEU A 133 8.423 -14.200 22.119 1.00 34.12 C ATOM 1964 O LEU A 133 8.243 -13.611 23.186 1.00 52.34 O ATOM 1965 CB LEU A 133 5.982 -14.536 21.684 1.00 24.30 C ATOM 1966 CG LEU A 133 5.209 -14.382 20.374 1.00 33.12 C ATOM 1967 CD1 LEU A 133 4.629 -15.718 19.936 1.00 13.03 C ATOM 1968 CD2 LEU A 133 4.107 -13.344 20.525 1.00 54.32 C ATOM 0 H LEU A 133 6.510 -16.746 22.644 1.00 72.42 H new ATOM 0 HA LEU A 133 7.594 -15.356 20.522 1.00 4.15 H new ATOM 0 HB2 LEU A 133 5.386 -15.143 22.366 1.00 24.30 H new ATOM 0 HB3 LEU A 133 6.085 -13.551 22.140 1.00 24.30 H new ATOM 0 HG LEU A 133 5.901 -14.040 19.604 1.00 33.12 H new ATOM 0 HD11 LEU A 133 4.082 -15.589 19.002 1.00 13.03 H new ATOM 0 HD12 LEU A 133 5.437 -16.434 19.787 1.00 13.03 H new ATOM 0 HD13 LEU A 133 3.951 -16.090 20.704 1.00 13.03 H new ATOM 0 HD21 LEU A 133 3.567 -13.247 19.583 1.00 54.32 H new ATOM 0 HD22 LEU A 133 3.417 -13.657 21.308 1.00 54.32 H new ATOM 0 HD23 LEU A 133 4.547 -12.383 20.792 1.00 54.32 H new ATOM 1980 N CYS A 134 9.516 -14.044 21.382 1.00 62.14 N ATOM 1981 CA CYS A 134 10.594 -13.151 21.792 1.00 62.22 C ATOM 1982 C CYS A 134 10.155 -11.693 21.705 1.00 20.12 C ATOM 1983 O CYS A 134 10.442 -10.894 22.595 1.00 11.23 O ATOM 1984 CB CYS A 134 11.831 -13.377 20.920 1.00 14.44 C ATOM 1985 SG CYS A 134 13.393 -12.980 21.739 1.00 1.41 S ATOM 0 H CYS A 134 9.680 -14.524 20.497 1.00 62.14 H new ATOM 0 HA CYS A 134 10.844 -13.375 22.829 1.00 62.22 H new ATOM 0 HB2 CYS A 134 11.854 -14.420 20.603 1.00 14.44 H new ATOM 0 HB3 CYS A 134 11.742 -12.772 20.018 1.00 14.44 H new ATOM 0 HG CYS A 134 14.380 -13.205 20.924 1.00 1.41 H new ATOM 1991 N GLY A 135 9.458 -11.353 20.625 1.00 61.30 N ATOM 1992 CA GLY A 135 8.992 -9.991 20.441 1.00 63.21 C ATOM 1993 C GLY A 135 8.175 -9.824 19.175 1.00 32.14 C ATOM 1994 O GLY A 135 7.934 -10.790 18.452 1.00 21.21 O ATOM 0 H GLY A 135 9.208 -11.997 19.874 1.00 61.30 H new ATOM 0 HA2 GLY A 135 8.389 -9.697 21.300 1.00 63.21 H new ATOM 0 HA3 GLY A 135 9.849 -9.318 20.408 1.00 63.21 H new ATOM 1998 N MET A 136 7.745 -8.595 18.908 1.00 24.12 N ATOM 1999 CA MET A 136 6.949 -8.305 17.721 1.00 24.41 C ATOM 2000 C MET A 136 7.298 -6.933 17.155 1.00 53.43 C ATOM 2001 O MET A 136 7.403 -5.954 17.895 1.00 23.30 O ATOM 2002 CB MET A 136 5.457 -8.369 18.053 1.00 23.43 C ATOM 2003 CG MET A 136 4.989 -7.246 18.964 1.00 52.02 C ATOM 2004 SD MET A 136 3.838 -7.813 20.231 1.00 62.00 S ATOM 2005 CE MET A 136 2.644 -6.478 20.226 1.00 71.24 C ATOM 0 H MET A 136 7.934 -7.784 19.497 1.00 24.12 H new ATOM 0 HA MET A 136 7.178 -9.058 16.967 1.00 24.41 H new ATOM 0 HB2 MET A 136 4.885 -8.336 17.126 1.00 23.43 H new ATOM 0 HB3 MET A 136 5.239 -9.326 18.528 1.00 23.43 H new ATOM 0 HG2 MET A 136 5.854 -6.788 19.443 1.00 52.02 H new ATOM 0 HG3 MET A 136 4.510 -6.472 18.364 1.00 52.02 H new ATOM 0 HE1 MET A 136 1.866 -6.683 20.961 1.00 71.24 H new ATOM 0 HE2 MET A 136 3.143 -5.542 20.478 1.00 71.24 H new ATOM 0 HE3 MET A 136 2.196 -6.395 19.236 1.00 71.24 H new ATOM 2015 N ILE A 137 7.475 -6.868 15.840 1.00 41.25 N ATOM 2016 CA ILE A 137 7.811 -5.615 15.175 1.00 13.53 C ATOM 2017 C ILE A 137 6.712 -5.196 14.204 1.00 43.02 C ATOM 2018 O ILE A 137 6.046 -6.039 13.603 1.00 4.24 O ATOM 2019 CB ILE A 137 9.143 -5.722 14.411 1.00 43.23 C ATOM 2020 CG1 ILE A 137 9.487 -4.385 13.751 1.00 10.41 C ATOM 2021 CG2 ILE A 137 9.069 -6.829 13.369 1.00 12.45 C ATOM 2022 CD1 ILE A 137 9.019 -4.281 12.316 1.00 3.33 C ATOM 0 H ILE A 137 7.391 -7.669 15.214 1.00 41.25 H new ATOM 0 HA ILE A 137 7.910 -4.861 15.955 1.00 13.53 H new ATOM 0 HB ILE A 137 9.932 -5.969 15.121 1.00 43.23 H new ATOM 0 HG12 ILE A 137 9.039 -3.577 14.330 1.00 10.41 H new ATOM 0 HG13 ILE A 137 10.567 -4.240 13.784 1.00 10.41 H new ATOM 0 HG21 ILE A 137 10.018 -6.892 12.837 1.00 12.45 H new ATOM 0 HG22 ILE A 137 8.865 -7.780 13.862 1.00 12.45 H new ATOM 0 HG23 ILE A 137 8.270 -6.609 12.661 1.00 12.45 H new ATOM 0 HD11 ILE A 137 9.297 -3.307 11.912 1.00 3.33 H new ATOM 0 HD12 ILE A 137 9.487 -5.067 11.723 1.00 3.33 H new ATOM 0 HD13 ILE A 137 7.936 -4.394 12.278 1.00 3.33 H new ATOM 2034 N ALA A 138 6.530 -3.888 14.053 1.00 21.21 N ATOM 2035 CA ALA A 138 5.515 -3.357 13.151 1.00 23.24 C ATOM 2036 C ALA A 138 6.118 -2.347 12.181 1.00 72.34 C ATOM 2037 O ALA A 138 6.666 -1.326 12.595 1.00 43.44 O ATOM 2038 CB ALA A 138 4.385 -2.719 13.946 1.00 62.43 C ATOM 0 H ALA A 138 7.072 -3.177 14.544 1.00 21.21 H new ATOM 0 HA ALA A 138 5.112 -4.185 12.568 1.00 23.24 H new ATOM 0 HB1 ALA A 138 3.634 -2.327 13.260 1.00 62.43 H new ATOM 0 HB2 ALA A 138 3.929 -3.467 14.594 1.00 62.43 H new ATOM 0 HB3 ALA A 138 4.782 -1.906 14.554 1.00 62.43 H new ATOM 2044 N ILE A 139 6.013 -2.640 10.889 1.00 74.02 N ATOM 2045 CA ILE A 139 6.547 -1.757 9.860 1.00 41.31 C ATOM 2046 C ILE A 139 5.431 -0.983 9.166 1.00 43.11 C ATOM 2047 O ILE A 139 4.366 -1.530 8.884 1.00 55.32 O ATOM 2048 CB ILE A 139 7.346 -2.542 8.803 1.00 1.02 C ATOM 2049 CG1 ILE A 139 6.528 -3.729 8.292 1.00 74.15 C ATOM 2050 CG2 ILE A 139 8.670 -3.016 9.384 1.00 10.43 C ATOM 2051 CD1 ILE A 139 6.895 -4.157 6.888 1.00 45.40 C ATOM 0 H ILE A 139 5.563 -3.482 10.530 1.00 74.02 H new ATOM 0 HA ILE A 139 7.215 -1.056 10.361 1.00 41.31 H new ATOM 0 HB ILE A 139 7.556 -1.880 7.963 1.00 1.02 H new ATOM 0 HG12 ILE A 139 6.666 -4.573 8.968 1.00 74.15 H new ATOM 0 HG13 ILE A 139 5.470 -3.469 8.319 1.00 74.15 H new ATOM 0 HG21 ILE A 139 9.223 -3.569 8.625 1.00 10.43 H new ATOM 0 HG22 ILE A 139 9.256 -2.155 9.704 1.00 10.43 H new ATOM 0 HG23 ILE A 139 8.481 -3.664 10.239 1.00 10.43 H new ATOM 0 HD11 ILE A 139 6.275 -5.003 6.592 1.00 45.40 H new ATOM 0 HD12 ILE A 139 6.730 -3.328 6.200 1.00 45.40 H new ATOM 0 HD13 ILE A 139 7.945 -4.449 6.859 1.00 45.40 H new ATOM 2063 N ALA A 140 5.685 0.292 8.892 1.00 41.53 N ATOM 2064 CA ALA A 140 4.704 1.141 8.227 1.00 72.21 C ATOM 2065 C ALA A 140 5.295 1.792 6.981 1.00 3.24 C ATOM 2066 O ALA A 140 6.220 2.600 7.071 1.00 13.35 O ATOM 2067 CB ALA A 140 4.188 2.203 9.186 1.00 3.33 C ATOM 0 H ALA A 140 6.562 0.760 9.120 1.00 41.53 H new ATOM 0 HA ALA A 140 3.869 0.513 7.915 1.00 72.21 H new ATOM 0 HB1 ALA A 140 3.456 2.829 8.676 1.00 3.33 H new ATOM 0 HB2 ALA A 140 3.718 1.721 10.044 1.00 3.33 H new ATOM 0 HB3 ALA A 140 5.019 2.820 9.527 1.00 3.33 H new ATOM 2073 N ASP A 141 4.757 1.435 5.821 1.00 43.05 N ATOM 2074 CA ASP A 141 5.232 1.985 4.556 1.00 11.42 C ATOM 2075 C ASP A 141 4.858 3.459 4.430 1.00 31.05 C ATOM 2076 O ASP A 141 3.870 3.911 5.012 1.00 61.43 O ATOM 2077 CB ASP A 141 4.650 1.197 3.382 1.00 64.22 C ATOM 2078 CG ASP A 141 5.186 1.670 2.045 1.00 55.52 C ATOM 2079 OD1 ASP A 141 6.044 2.577 2.037 1.00 21.04 O ATOM 2080 OD2 ASP A 141 4.745 1.135 1.006 1.00 40.33 O ATOM 0 H ASP A 141 3.992 0.767 5.729 1.00 43.05 H new ATOM 0 HA ASP A 141 6.319 1.901 4.537 1.00 11.42 H new ATOM 0 HB2 ASP A 141 4.880 0.139 3.509 1.00 64.22 H new ATOM 0 HB3 ASP A 141 3.564 1.290 3.388 1.00 64.22 H new