USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 954 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 115 TYR OH : rot -148:sc= 0.147 USER MOD Set 1.2: A 153 THR OG1 : rot -87:sc= 1.28 USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0.424 USER MOD Set 2.2: A 121 THR OG1 : rot -106:sc= -0.671 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.044 (180deg=-0.278) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= 0.0024 (180deg=-0.0831) USER MOD Single : A 40 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-2!) USER MOD Single : A 41 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-0.79) USER MOD Single : A 70 THR OG1 : rot 31:sc= 0.0686 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.8!) USER MOD Single : A 79 TYR OH : rot -94:sc= 0.0229 USER MOD Single : A 81 HIS : no HE2:sc= 0.991 K(o=0.99,f=-6.4!) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= 0.343 (180deg=0.0546) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.13) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -2.92! C(o=-2.9!,f=-2.3!) USER MOD Single : A 112 MET CE :methyl -106:sc= -2.33 (180deg=-8.78!) USER MOD Single : A 113 LYS NZ :NH3+ 164:sc= -0.0836 (180deg=-0.403) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.41) USER MOD Single : A 125 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 127 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.2) USER MOD Single : A 133 SER OG : rot -1:sc= 0.109 USER MOD Single : A 136 HIS : no HE2:sc= 1.25 K(o=1.2,f=-3.7!) USER MOD Single : A 138 HIS : no HD1:sc= 0.00569 K(o=0.0057,f=-0.56) USER MOD Single : A 141 TYR OH : rot 165:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -164:sc= -0.0497 (180deg=-0.274) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HE2:sc= 1.03 K(o=1,f=-4.9!) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 CYS SG : rot -14:sc= -0.519 USER MOD Single : A 162 SER OG : rot 83:sc= 0.809 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -4.964 -24.085 2.718 1.00 21.03 N ATOM 63 CA LEU A 22 -5.301 -22.775 2.189 1.00 75.33 C ATOM 64 C LEU A 22 -4.431 -21.676 2.792 1.00 54.51 C ATOM 65 O LEU A 22 -3.592 -21.085 2.098 1.00 33.11 O ATOM 66 CB LEU A 22 -6.790 -22.517 2.380 1.00 11.14 C ATOM 67 CG LEU A 22 -7.704 -23.496 1.641 1.00 31.51 C ATOM 68 CD1 LEU A 22 -9.111 -23.308 2.067 1.00 23.42 C ATOM 69 CD2 LEU A 22 -7.592 -23.320 0.136 1.00 74.31 C ATOM 0 HA LEU A 22 -5.089 -22.760 1.120 1.00 75.33 H new ATOM 0 HB2 LEU A 22 -7.019 -22.559 3.445 1.00 11.14 H new ATOM 0 HB3 LEU A 22 -7.016 -21.505 2.045 1.00 11.14 H new ATOM 0 HG LEU A 22 -7.385 -24.507 1.893 1.00 31.51 H new ATOM 0 HD11 LEU A 22 -9.750 -24.011 1.533 1.00 23.42 H new ATOM 0 HD12 LEU A 22 -9.193 -23.485 3.139 1.00 23.42 H new ATOM 0 HD13 LEU A 22 -9.426 -22.289 1.842 1.00 23.42 H new ATOM 0 HD21 LEU A 22 -8.253 -24.029 -0.363 1.00 74.31 H new ATOM 0 HD22 LEU A 22 -7.880 -22.304 -0.134 1.00 74.31 H new ATOM 0 HD23 LEU A 22 -6.563 -23.501 -0.176 1.00 74.31 H new ATOM 81 N VAL A 23 -4.581 -21.502 4.069 1.00 42.01 N ATOM 82 CA VAL A 23 -3.943 -20.480 4.890 1.00 12.21 C ATOM 83 C VAL A 23 -4.026 -19.054 4.330 1.00 51.21 C ATOM 84 O VAL A 23 -4.912 -18.330 4.683 1.00 40.13 O ATOM 85 CB VAL A 23 -2.507 -20.809 5.289 1.00 42.04 C ATOM 86 CG1 VAL A 23 -1.966 -19.691 6.165 1.00 51.30 C ATOM 87 CG2 VAL A 23 -2.451 -22.132 6.029 1.00 22.24 C ATOM 0 H VAL A 23 -5.193 -22.106 4.618 1.00 42.01 H new ATOM 0 HA VAL A 23 -4.552 -20.497 5.794 1.00 12.21 H new ATOM 0 HB VAL A 23 -1.894 -20.897 4.392 1.00 42.04 H new ATOM 0 HG11 VAL A 23 -0.940 -19.919 6.454 1.00 51.30 H new ATOM 0 HG12 VAL A 23 -1.987 -18.752 5.611 1.00 51.30 H new ATOM 0 HG13 VAL A 23 -2.583 -19.598 7.059 1.00 51.30 H new ATOM 0 HG21 VAL A 23 -1.420 -22.351 6.306 1.00 22.24 H new ATOM 0 HG22 VAL A 23 -3.063 -22.072 6.929 1.00 22.24 H new ATOM 0 HG23 VAL A 23 -2.830 -22.926 5.385 1.00 22.24 H new ATOM 97 N GLY A 24 -3.097 -18.691 3.431 1.00 44.02 N ATOM 98 CA GLY A 24 -2.988 -17.361 2.951 1.00 43.01 C ATOM 99 C GLY A 24 -1.931 -16.532 3.673 1.00 51.43 C ATOM 100 O GLY A 24 -2.217 -15.784 4.605 1.00 2.21 O ATOM 0 H GLY A 24 -2.413 -19.335 3.034 1.00 44.02 H new ATOM 0 HA2 GLY A 24 -2.752 -17.387 1.887 1.00 43.01 H new ATOM 0 HA3 GLY A 24 -3.955 -16.868 3.052 1.00 43.01 H new ATOM 104 N LYS A 25 -0.743 -16.678 3.262 1.00 53.03 N ATOM 105 CA LYS A 25 0.368 -15.888 3.782 1.00 14.34 C ATOM 106 C LYS A 25 1.367 -15.672 2.718 1.00 52.43 C ATOM 107 O LYS A 25 1.604 -16.574 1.917 1.00 4.35 O ATOM 108 CB LYS A 25 1.137 -16.590 4.852 1.00 63.34 C ATOM 109 CG LYS A 25 0.482 -16.878 6.163 1.00 52.50 C ATOM 110 CD LYS A 25 1.460 -17.698 6.992 1.00 54.44 C ATOM 111 CE LYS A 25 2.841 -17.015 7.075 1.00 33.04 C ATOM 112 NZ LYS A 25 2.790 -15.754 7.840 1.00 61.33 N ATOM 0 H LYS A 25 -0.474 -17.351 2.544 1.00 53.03 H new ATOM 0 HA LYS A 25 -0.087 -14.974 4.163 1.00 14.34 H new ATOM 0 HB2 LYS A 25 1.475 -17.541 4.440 1.00 63.34 H new ATOM 0 HB3 LYS A 25 2.028 -15.996 5.056 1.00 63.34 H new ATOM 0 HG2 LYS A 25 0.227 -15.951 6.676 1.00 52.50 H new ATOM 0 HG3 LYS A 25 -0.448 -17.426 6.015 1.00 52.50 H new ATOM 0 HD2 LYS A 25 1.060 -17.837 7.997 1.00 54.44 H new ATOM 0 HD3 LYS A 25 1.569 -18.690 6.553 1.00 54.44 H new ATOM 0 HE2 LYS A 25 3.554 -17.694 7.543 1.00 33.04 H new ATOM 0 HE3 LYS A 25 3.207 -16.813 6.068 1.00 33.04 H new ATOM 0 HZ1 LYS A 25 3.738 -15.328 7.871 1.00 61.33 H new ATOM 0 HZ2 LYS A 25 2.130 -15.095 7.380 1.00 61.33 H new ATOM 0 HZ3 LYS A 25 2.466 -15.949 8.809 1.00 61.33 H new ATOM 126 N LEU A 26 1.946 -14.500 2.663 1.00 15.44 N ATOM 127 CA LEU A 26 3.075 -14.318 1.804 1.00 73.12 C ATOM 128 C LEU A 26 3.941 -13.156 2.296 1.00 33.15 C ATOM 129 O LEU A 26 3.427 -12.227 2.914 1.00 14.13 O ATOM 130 CB LEU A 26 2.619 -14.109 0.352 1.00 31.22 C ATOM 131 CG LEU A 26 3.693 -13.940 -0.718 1.00 41.44 C ATOM 132 CD1 LEU A 26 4.533 -15.198 -0.836 1.00 64.13 C ATOM 133 CD2 LEU A 26 3.049 -13.597 -2.051 1.00 45.44 C ATOM 0 H LEU A 26 1.659 -13.677 3.192 1.00 15.44 H new ATOM 0 HA LEU A 26 3.686 -15.220 1.831 1.00 73.12 H new ATOM 0 HB2 LEU A 26 1.999 -14.960 0.071 1.00 31.22 H new ATOM 0 HB3 LEU A 26 1.980 -13.226 0.326 1.00 31.22 H new ATOM 0 HG LEU A 26 4.351 -13.121 -0.427 1.00 41.44 H new ATOM 0 HD11 LEU A 26 5.293 -15.057 -1.604 1.00 64.13 H new ATOM 0 HD12 LEU A 26 5.016 -15.404 0.119 1.00 64.13 H new ATOM 0 HD13 LEU A 26 3.894 -16.038 -1.108 1.00 64.13 H new ATOM 0 HD21 LEU A 26 3.823 -13.478 -2.809 1.00 45.44 H new ATOM 0 HD22 LEU A 26 2.373 -14.400 -2.346 1.00 45.44 H new ATOM 0 HD23 LEU A 26 2.489 -12.667 -1.956 1.00 45.44 H new ATOM 145 N GLU A 27 5.237 -13.229 2.063 1.00 50.10 N ATOM 146 CA GLU A 27 6.102 -12.098 2.300 1.00 23.32 C ATOM 147 C GLU A 27 7.002 -11.903 1.099 1.00 10.12 C ATOM 148 O GLU A 27 7.526 -12.870 0.539 1.00 62.34 O ATOM 149 CB GLU A 27 6.923 -12.173 3.616 1.00 50.32 C ATOM 150 CG GLU A 27 7.736 -10.885 3.866 1.00 30.34 C ATOM 151 CD GLU A 27 8.435 -10.814 5.194 1.00 54.32 C ATOM 152 OE1 GLU A 27 7.746 -10.798 6.234 1.00 1.23 O ATOM 153 OE2 GLU A 27 9.686 -10.695 5.220 1.00 21.34 O ATOM 0 H GLU A 27 5.711 -14.061 1.710 1.00 50.10 H new ATOM 0 HA GLU A 27 5.456 -11.231 2.436 1.00 23.32 H new ATOM 0 HB2 GLU A 27 6.248 -12.344 4.455 1.00 50.32 H new ATOM 0 HB3 GLU A 27 7.600 -13.026 3.573 1.00 50.32 H new ATOM 0 HG2 GLU A 27 8.481 -10.786 3.076 1.00 30.34 H new ATOM 0 HG3 GLU A 27 7.066 -10.030 3.781 1.00 30.34 H new ATOM 160 N THR A 28 7.137 -10.680 0.692 1.00 62.43 N ATOM 161 CA THR A 28 7.947 -10.326 -0.426 1.00 55.23 C ATOM 162 C THR A 28 8.725 -9.060 -0.096 1.00 11.15 C ATOM 163 O THR A 28 8.226 -8.181 0.619 1.00 22.54 O ATOM 164 CB THR A 28 7.076 -10.136 -1.722 1.00 14.34 C ATOM 165 OG1 THR A 28 7.879 -9.705 -2.827 1.00 23.25 O ATOM 166 CG2 THR A 28 5.959 -9.132 -1.504 1.00 2.43 C ATOM 0 H THR A 28 6.677 -9.886 1.138 1.00 62.43 H new ATOM 0 HA THR A 28 8.649 -11.135 -0.630 1.00 55.23 H new ATOM 0 HB THR A 28 6.639 -11.108 -1.949 1.00 14.34 H new ATOM 0 HG1 THR A 28 7.313 -9.596 -3.620 1.00 23.25 H new ATOM 0 HG21 THR A 28 5.379 -9.028 -2.421 1.00 2.43 H new ATOM 0 HG22 THR A 28 5.309 -9.480 -0.701 1.00 2.43 H new ATOM 0 HG23 THR A 28 6.386 -8.166 -1.233 1.00 2.43 H new ATOM 174 N ASP A 29 9.940 -8.988 -0.557 1.00 44.22 N ATOM 175 CA ASP A 29 10.762 -7.827 -0.344 1.00 55.22 C ATOM 176 C ASP A 29 10.912 -7.073 -1.635 1.00 34.22 C ATOM 177 O ASP A 29 11.323 -7.631 -2.654 1.00 33.44 O ATOM 178 CB ASP A 29 12.151 -8.195 0.241 1.00 51.22 C ATOM 179 CG ASP A 29 12.992 -9.076 -0.660 1.00 64.42 C ATOM 180 OD1 ASP A 29 12.687 -10.287 -0.781 1.00 13.10 O ATOM 181 OD2 ASP A 29 13.974 -8.587 -1.263 1.00 34.44 O ATOM 0 H ASP A 29 10.391 -9.731 -1.091 1.00 44.22 H new ATOM 0 HA ASP A 29 10.267 -7.193 0.392 1.00 55.22 H new ATOM 0 HB2 ASP A 29 12.700 -7.277 0.448 1.00 51.22 H new ATOM 0 HB3 ASP A 29 12.008 -8.702 1.195 1.00 51.22 H new ATOM 186 N VAL A 30 10.534 -5.840 -1.616 1.00 64.11 N ATOM 187 CA VAL A 30 10.678 -4.991 -2.769 1.00 41.11 C ATOM 188 C VAL A 30 11.735 -3.961 -2.483 1.00 62.22 C ATOM 189 O VAL A 30 11.683 -3.282 -1.455 1.00 24.03 O ATOM 190 CB VAL A 30 9.344 -4.290 -3.162 1.00 65.13 C ATOM 191 CG1 VAL A 30 9.549 -3.314 -4.319 1.00 54.42 C ATOM 192 CG2 VAL A 30 8.297 -5.321 -3.538 1.00 50.33 C ATOM 0 H VAL A 30 10.116 -5.384 -0.805 1.00 64.11 H new ATOM 0 HA VAL A 30 10.968 -5.615 -3.614 1.00 41.11 H new ATOM 0 HB VAL A 30 8.998 -3.725 -2.296 1.00 65.13 H new ATOM 0 HG11 VAL A 30 8.599 -2.841 -4.569 1.00 54.42 H new ATOM 0 HG12 VAL A 30 10.269 -2.549 -4.027 1.00 54.42 H new ATOM 0 HG13 VAL A 30 9.926 -3.854 -5.188 1.00 54.42 H new ATOM 0 HG21 VAL A 30 7.370 -4.816 -3.810 1.00 50.33 H new ATOM 0 HG22 VAL A 30 8.652 -5.908 -4.385 1.00 50.33 H new ATOM 0 HG23 VAL A 30 8.115 -5.981 -2.690 1.00 50.33 H new ATOM 202 N GLU A 31 12.702 -3.869 -3.340 1.00 61.43 N ATOM 203 CA GLU A 31 13.718 -2.892 -3.168 1.00 20.41 C ATOM 204 C GLU A 31 13.432 -1.632 -3.932 1.00 13.23 C ATOM 205 O GLU A 31 13.144 -1.637 -5.128 1.00 52.31 O ATOM 206 CB GLU A 31 15.159 -3.444 -3.322 1.00 54.33 C ATOM 207 CG GLU A 31 15.541 -4.134 -4.626 1.00 33.41 C ATOM 208 CD GLU A 31 15.688 -3.214 -5.812 1.00 51.42 C ATOM 209 OE1 GLU A 31 16.633 -2.382 -5.821 1.00 61.30 O ATOM 210 OE2 GLU A 31 14.905 -3.331 -6.773 1.00 30.24 O ATOM 0 H GLU A 31 12.806 -4.461 -4.164 1.00 61.43 H new ATOM 0 HA GLU A 31 13.685 -2.598 -2.119 1.00 20.41 H new ATOM 0 HB2 GLU A 31 15.849 -2.614 -3.173 1.00 54.33 H new ATOM 0 HB3 GLU A 31 15.331 -4.151 -2.511 1.00 54.33 H new ATOM 0 HG2 GLU A 31 16.482 -4.664 -4.477 1.00 33.41 H new ATOM 0 HG3 GLU A 31 14.785 -4.884 -4.858 1.00 33.41 H new ATOM 217 N ILE A 32 13.448 -0.583 -3.222 1.00 42.01 N ATOM 218 CA ILE A 32 13.192 0.722 -3.735 1.00 34.14 C ATOM 219 C ILE A 32 14.437 1.546 -3.551 1.00 12.10 C ATOM 220 O ILE A 32 15.365 1.124 -2.841 1.00 13.12 O ATOM 221 CB ILE A 32 11.990 1.392 -3.002 1.00 65.42 C ATOM 222 CG1 ILE A 32 12.257 1.469 -1.485 1.00 4.21 C ATOM 223 CG2 ILE A 32 10.694 0.637 -3.296 1.00 62.22 C ATOM 224 CD1 ILE A 32 11.144 2.094 -0.672 1.00 63.10 C ATOM 0 H ILE A 32 13.647 -0.594 -2.222 1.00 42.01 H new ATOM 0 HA ILE A 32 12.930 0.653 -4.791 1.00 34.14 H new ATOM 0 HB ILE A 32 11.878 2.410 -3.376 1.00 65.42 H new ATOM 0 HG12 ILE A 32 12.438 0.461 -1.111 1.00 4.21 H new ATOM 0 HG13 ILE A 32 13.171 2.039 -1.320 1.00 4.21 H new ATOM 0 HG21 ILE A 32 9.866 1.119 -2.776 1.00 62.22 H new ATOM 0 HG22 ILE A 32 10.503 0.646 -4.369 1.00 62.22 H new ATOM 0 HG23 ILE A 32 10.787 -0.393 -2.953 1.00 62.22 H new ATOM 0 HD11 ILE A 32 11.424 2.103 0.381 1.00 63.10 H new ATOM 0 HD12 ILE A 32 10.975 3.116 -1.012 1.00 63.10 H new ATOM 0 HD13 ILE A 32 10.230 1.513 -0.799 1.00 63.10 H new ATOM 236 N LYS A 33 14.482 2.688 -4.156 1.00 50.45 N ATOM 237 CA LYS A 33 15.641 3.532 -4.058 1.00 23.40 C ATOM 238 C LYS A 33 15.385 4.599 -3.032 1.00 22.41 C ATOM 239 O LYS A 33 16.308 5.268 -2.556 1.00 52.13 O ATOM 240 CB LYS A 33 15.987 4.133 -5.411 1.00 42.45 C ATOM 241 CG LYS A 33 16.250 3.090 -6.475 1.00 30.21 C ATOM 242 CD LYS A 33 16.589 3.722 -7.803 1.00 11.05 C ATOM 243 CE LYS A 33 16.799 2.666 -8.871 1.00 51.11 C ATOM 244 NZ LYS A 33 17.889 1.734 -8.521 1.00 71.22 N ATOM 0 H LYS A 33 13.727 3.065 -4.729 1.00 50.45 H new ATOM 0 HA LYS A 33 16.499 2.938 -3.743 1.00 23.40 H new ATOM 0 HB2 LYS A 33 15.169 4.776 -5.736 1.00 42.45 H new ATOM 0 HB3 LYS A 33 16.868 4.766 -5.306 1.00 42.45 H new ATOM 0 HG2 LYS A 33 17.070 2.446 -6.158 1.00 30.21 H new ATOM 0 HG3 LYS A 33 15.371 2.455 -6.588 1.00 30.21 H new ATOM 0 HD2 LYS A 33 15.786 4.395 -8.105 1.00 11.05 H new ATOM 0 HD3 LYS A 33 17.490 4.326 -7.702 1.00 11.05 H new ATOM 0 HE2 LYS A 33 15.875 2.106 -9.013 1.00 51.11 H new ATOM 0 HE3 LYS A 33 17.027 3.151 -9.820 1.00 51.11 H new ATOM 0 HZ1 LYS A 33 18.159 1.185 -9.362 1.00 71.22 H new ATOM 0 HZ2 LYS A 33 18.711 2.273 -8.181 1.00 71.22 H new ATOM 0 HZ3 LYS A 33 17.566 1.087 -7.774 1.00 71.22 H new ATOM 258 N ALA A 34 14.126 4.763 -2.699 1.00 31.04 N ATOM 259 CA ALA A 34 13.717 5.665 -1.668 1.00 71.43 C ATOM 260 C ALA A 34 14.143 5.120 -0.312 1.00 1.43 C ATOM 261 O ALA A 34 13.982 3.938 -0.027 1.00 54.21 O ATOM 262 CB ALA A 34 12.222 5.869 -1.721 1.00 4.00 C ATOM 0 H ALA A 34 13.356 4.265 -3.145 1.00 31.04 H new ATOM 0 HA ALA A 34 14.197 6.632 -1.820 1.00 71.43 H new ATOM 0 HB1 ALA A 34 11.921 6.558 -0.932 1.00 4.00 H new ATOM 0 HB2 ALA A 34 11.946 6.284 -2.690 1.00 4.00 H new ATOM 0 HB3 ALA A 34 11.719 4.912 -1.580 1.00 4.00 H new ATOM 268 N SER A 35 14.715 5.973 0.492 1.00 40.32 N ATOM 269 CA SER A 35 15.191 5.600 1.795 1.00 73.50 C ATOM 270 C SER A 35 14.010 5.453 2.769 1.00 51.55 C ATOM 271 O SER A 35 13.062 6.254 2.738 1.00 23.34 O ATOM 272 CB SER A 35 16.146 6.690 2.302 1.00 75.32 C ATOM 273 OG SER A 35 16.792 6.321 3.513 1.00 2.01 O ATOM 0 H SER A 35 14.865 6.955 0.259 1.00 40.32 H new ATOM 0 HA SER A 35 15.713 4.645 1.733 1.00 73.50 H new ATOM 0 HB2 SER A 35 16.898 6.895 1.540 1.00 75.32 H new ATOM 0 HB3 SER A 35 15.589 7.614 2.457 1.00 75.32 H new ATOM 0 HG SER A 35 17.391 7.043 3.797 1.00 2.01 H new ATOM 279 N ALA A 36 14.075 4.438 3.620 1.00 3.32 N ATOM 280 CA ALA A 36 13.086 4.212 4.661 1.00 45.50 C ATOM 281 C ALA A 36 13.064 5.389 5.610 1.00 33.41 C ATOM 282 O ALA A 36 12.013 5.787 6.114 1.00 74.14 O ATOM 283 CB ALA A 36 13.417 2.944 5.427 1.00 42.21 C ATOM 0 H ALA A 36 14.822 3.744 3.606 1.00 3.32 H new ATOM 0 HA ALA A 36 12.105 4.103 4.199 1.00 45.50 H new ATOM 0 HB1 ALA A 36 12.670 2.783 6.205 1.00 42.21 H new ATOM 0 HB2 ALA A 36 13.417 2.095 4.743 1.00 42.21 H new ATOM 0 HB3 ALA A 36 14.402 3.042 5.884 1.00 42.21 H new ATOM 289 N ASP A 37 14.238 5.940 5.839 1.00 63.55 N ATOM 290 CA ASP A 37 14.390 7.119 6.664 1.00 70.11 C ATOM 291 C ASP A 37 13.741 8.298 5.971 1.00 13.14 C ATOM 292 O ASP A 37 12.984 9.049 6.570 1.00 64.11 O ATOM 293 CB ASP A 37 15.878 7.408 6.906 1.00 65.22 C ATOM 294 CG ASP A 37 16.117 8.645 7.746 1.00 0.43 C ATOM 295 OD1 ASP A 37 16.095 8.541 8.985 1.00 61.24 O ATOM 296 OD2 ASP A 37 16.354 9.738 7.168 1.00 24.41 O ATOM 0 H ASP A 37 15.114 5.582 5.458 1.00 63.55 H new ATOM 0 HA ASP A 37 13.908 6.950 7.627 1.00 70.11 H new ATOM 0 HB2 ASP A 37 16.333 6.549 7.399 1.00 65.22 H new ATOM 0 HB3 ASP A 37 16.379 7.527 5.945 1.00 65.22 H new ATOM 301 N LYS A 38 14.002 8.407 4.676 1.00 64.02 N ATOM 302 CA LYS A 38 13.500 9.492 3.857 1.00 21.53 C ATOM 303 C LYS A 38 11.968 9.489 3.801 1.00 24.11 C ATOM 304 O LYS A 38 11.349 10.547 3.680 1.00 4.32 O ATOM 305 CB LYS A 38 14.090 9.409 2.456 1.00 32.23 C ATOM 306 CG LYS A 38 13.754 10.587 1.629 1.00 3.14 C ATOM 307 CD LYS A 38 14.339 10.513 0.254 1.00 3.22 C ATOM 308 CE LYS A 38 14.020 11.782 -0.478 1.00 1.55 C ATOM 309 NZ LYS A 38 14.566 11.800 -1.848 1.00 43.20 N ATOM 0 H LYS A 38 14.574 7.736 4.163 1.00 64.02 H new ATOM 0 HA LYS A 38 13.810 10.432 4.314 1.00 21.53 H new ATOM 0 HB2 LYS A 38 15.174 9.316 2.527 1.00 32.23 H new ATOM 0 HB3 LYS A 38 13.724 8.508 1.964 1.00 32.23 H new ATOM 0 HG2 LYS A 38 12.670 10.676 1.554 1.00 3.14 H new ATOM 0 HG3 LYS A 38 14.114 11.488 2.125 1.00 3.14 H new ATOM 0 HD2 LYS A 38 15.418 10.372 0.311 1.00 3.22 H new ATOM 0 HD3 LYS A 38 13.933 9.656 -0.283 1.00 3.22 H new ATOM 0 HE2 LYS A 38 12.938 11.910 -0.520 1.00 1.55 H new ATOM 0 HE3 LYS A 38 14.420 12.629 0.080 1.00 1.55 H new ATOM 0 HZ1 LYS A 38 15.224 12.599 -1.949 1.00 43.20 H new ATOM 0 HZ2 LYS A 38 15.072 10.910 -2.032 1.00 43.20 H new ATOM 0 HZ3 LYS A 38 13.788 11.903 -2.530 1.00 43.20 H new ATOM 323 N PHE A 39 11.369 8.301 3.912 1.00 41.14 N ATOM 324 CA PHE A 39 9.906 8.156 3.957 1.00 65.24 C ATOM 325 C PHE A 39 9.374 9.012 5.114 1.00 25.23 C ATOM 326 O PHE A 39 8.453 9.814 4.946 1.00 61.12 O ATOM 327 CB PHE A 39 9.539 6.667 4.188 1.00 32.12 C ATOM 328 CG PHE A 39 8.055 6.325 4.098 1.00 44.15 C ATOM 329 CD1 PHE A 39 7.142 6.813 5.021 1.00 60.34 C ATOM 330 CD2 PHE A 39 7.591 5.489 3.096 1.00 1.35 C ATOM 331 CE1 PHE A 39 5.805 6.482 4.944 1.00 33.22 C ATOM 332 CE2 PHE A 39 6.252 5.156 3.014 1.00 4.33 C ATOM 333 CZ PHE A 39 5.358 5.654 3.937 1.00 72.11 C ATOM 0 H PHE A 39 11.876 7.418 3.973 1.00 41.14 H new ATOM 0 HA PHE A 39 9.463 8.483 3.017 1.00 65.24 H new ATOM 0 HB2 PHE A 39 10.076 6.063 3.457 1.00 32.12 H new ATOM 0 HB3 PHE A 39 9.901 6.372 5.173 1.00 32.12 H new ATOM 0 HD1 PHE A 39 7.483 7.463 5.813 1.00 60.34 H new ATOM 0 HD2 PHE A 39 8.284 5.092 2.369 1.00 1.35 H new ATOM 0 HE1 PHE A 39 5.109 6.871 5.672 1.00 33.22 H new ATOM 0 HE2 PHE A 39 5.906 4.504 2.225 1.00 4.33 H new ATOM 0 HZ PHE A 39 4.311 5.396 3.871 1.00 72.11 H new ATOM 343 N HIS A 40 10.010 8.853 6.270 1.00 42.34 N ATOM 344 CA HIS A 40 9.676 9.599 7.484 1.00 4.30 C ATOM 345 C HIS A 40 9.849 11.105 7.274 1.00 74.05 C ATOM 346 O HIS A 40 9.108 11.905 7.839 1.00 23.24 O ATOM 347 CB HIS A 40 10.546 9.091 8.661 1.00 35.33 C ATOM 348 CG HIS A 40 10.412 9.851 9.962 1.00 1.31 C ATOM 349 ND1 HIS A 40 11.497 10.314 10.667 1.00 14.12 N ATOM 350 CD2 HIS A 40 9.328 10.184 10.699 1.00 5.33 C ATOM 351 CE1 HIS A 40 11.092 10.891 11.772 1.00 21.15 C ATOM 352 NE2 HIS A 40 9.784 10.828 11.819 1.00 33.02 N ATOM 0 H HIS A 40 10.780 8.196 6.394 1.00 42.34 H new ATOM 0 HA HIS A 40 8.627 9.429 7.725 1.00 4.30 H new ATOM 0 HB2 HIS A 40 10.297 8.046 8.846 1.00 35.33 H new ATOM 0 HB3 HIS A 40 11.591 9.119 8.353 1.00 35.33 H new ATOM 0 HD2 HIS A 40 8.297 9.981 10.451 1.00 5.33 H new ATOM 0 HE1 HIS A 40 11.729 11.342 12.518 1.00 21.15 H new ATOM 0 HE2 HIS A 40 9.200 11.199 12.568 1.00 33.02 H new ATOM 361 N HIS A 41 10.795 11.480 6.443 1.00 62.32 N ATOM 362 CA HIS A 41 11.056 12.884 6.197 1.00 1.21 C ATOM 363 C HIS A 41 10.006 13.478 5.289 1.00 13.20 C ATOM 364 O HIS A 41 9.585 14.586 5.488 1.00 60.34 O ATOM 365 CB HIS A 41 12.468 13.131 5.647 1.00 74.32 C ATOM 366 CG HIS A 41 13.573 12.853 6.626 1.00 33.45 C ATOM 367 ND1 HIS A 41 14.465 13.802 7.050 1.00 72.04 N ATOM 368 CD2 HIS A 41 13.943 11.716 7.226 1.00 34.23 C ATOM 369 CE1 HIS A 41 15.334 13.246 7.867 1.00 25.41 C ATOM 370 NE2 HIS A 41 15.036 11.976 7.987 1.00 61.53 N ATOM 0 H HIS A 41 11.395 10.837 5.927 1.00 62.32 H new ATOM 0 HA HIS A 41 11.002 13.390 7.161 1.00 1.21 H new ATOM 0 HB2 HIS A 41 12.615 12.508 4.765 1.00 74.32 H new ATOM 0 HB3 HIS A 41 12.541 14.168 5.320 1.00 74.32 H new ATOM 0 HD2 HIS A 41 13.456 10.757 7.123 1.00 34.23 H new ATOM 0 HE1 HIS A 41 16.154 13.751 8.356 1.00 25.41 H new ATOM 0 HE2 HIS A 41 15.541 11.297 8.557 1.00 61.53 H new ATOM 778 N THR A 70 -5.453 9.879 10.875 1.00 63.55 N ATOM 779 CA THR A 70 -4.332 9.103 10.379 1.00 74.15 C ATOM 780 C THR A 70 -4.597 7.583 10.559 1.00 43.30 C ATOM 781 O THR A 70 -4.876 6.879 9.585 1.00 53.35 O ATOM 782 CB THR A 70 -2.981 9.568 11.010 1.00 53.34 C ATOM 783 OG1 THR A 70 -2.781 10.972 10.712 1.00 24.33 O ATOM 784 CG2 THR A 70 -1.808 8.777 10.456 1.00 14.24 C ATOM 0 HA THR A 70 -4.235 9.284 9.309 1.00 74.15 H new ATOM 0 HB THR A 70 -3.031 9.402 12.086 1.00 53.34 H new ATOM 0 HG1 THR A 70 -3.650 11.421 10.655 1.00 24.33 H new ATOM 0 HG21 THR A 70 -0.884 9.126 10.916 1.00 14.24 H new ATOM 0 HG22 THR A 70 -1.946 7.719 10.677 1.00 14.24 H new ATOM 0 HG23 THR A 70 -1.751 8.918 9.377 1.00 14.24 H new ATOM 792 N VAL A 71 -4.538 7.090 11.781 1.00 14.52 N ATOM 793 CA VAL A 71 -4.872 5.701 12.040 1.00 54.43 C ATOM 794 C VAL A 71 -6.387 5.538 11.915 1.00 24.42 C ATOM 795 O VAL A 71 -7.143 6.269 12.564 1.00 42.51 O ATOM 796 CB VAL A 71 -4.407 5.236 13.442 1.00 74.12 C ATOM 797 CG1 VAL A 71 -4.753 3.769 13.656 1.00 1.31 C ATOM 798 CG2 VAL A 71 -2.913 5.457 13.612 1.00 23.24 C ATOM 0 H VAL A 71 -4.264 7.625 12.605 1.00 14.52 H new ATOM 0 HA VAL A 71 -4.352 5.080 11.311 1.00 54.43 H new ATOM 0 HB VAL A 71 -4.930 5.830 14.191 1.00 74.12 H new ATOM 0 HG11 VAL A 71 -4.420 3.457 14.646 1.00 1.31 H new ATOM 0 HG12 VAL A 71 -5.832 3.634 13.577 1.00 1.31 H new ATOM 0 HG13 VAL A 71 -4.256 3.164 12.898 1.00 1.31 H new ATOM 0 HG21 VAL A 71 -2.606 5.124 14.604 1.00 23.24 H new ATOM 0 HG22 VAL A 71 -2.373 4.889 12.855 1.00 23.24 H new ATOM 0 HG23 VAL A 71 -2.687 6.517 13.500 1.00 23.24 H new ATOM 808 N GLY A 72 -6.827 4.609 11.089 1.00 31.45 N ATOM 809 CA GLY A 72 -8.248 4.443 10.877 1.00 53.31 C ATOM 810 C GLY A 72 -8.693 5.093 9.585 1.00 31.42 C ATOM 811 O GLY A 72 -9.877 5.078 9.242 1.00 64.11 O ATOM 0 H GLY A 72 -6.232 3.969 10.563 1.00 31.45 H new ATOM 0 HA2 GLY A 72 -8.492 3.381 10.855 1.00 53.31 H new ATOM 0 HA3 GLY A 72 -8.795 4.879 11.713 1.00 53.31 H new ATOM 815 N SER A 73 -7.741 5.693 8.886 1.00 64.22 N ATOM 816 CA SER A 73 -7.995 6.361 7.628 1.00 30.00 C ATOM 817 C SER A 73 -8.458 5.400 6.554 1.00 45.34 C ATOM 818 O SER A 73 -7.916 4.287 6.408 1.00 73.42 O ATOM 819 CB SER A 73 -6.741 7.115 7.156 1.00 0.30 C ATOM 820 OG SER A 73 -6.931 7.719 5.884 1.00 61.44 O ATOM 0 H SER A 73 -6.765 5.728 9.182 1.00 64.22 H new ATOM 0 HA SER A 73 -8.801 7.074 7.801 1.00 30.00 H new ATOM 0 HB2 SER A 73 -6.482 7.882 7.886 1.00 0.30 H new ATOM 0 HB3 SER A 73 -5.899 6.424 7.107 1.00 0.30 H new ATOM 0 HG SER A 73 -6.113 8.190 5.620 1.00 61.44 H new ATOM 826 N ILE A 74 -9.459 5.827 5.815 1.00 51.42 N ATOM 827 CA ILE A 74 -9.959 5.097 4.691 1.00 74.53 C ATOM 828 C ILE A 74 -10.051 6.033 3.501 1.00 64.11 C ATOM 829 O ILE A 74 -10.832 6.989 3.501 1.00 60.13 O ATOM 830 CB ILE A 74 -11.354 4.501 4.999 1.00 55.15 C ATOM 831 CG1 ILE A 74 -11.225 3.484 6.126 1.00 41.32 C ATOM 832 CG2 ILE A 74 -11.964 3.855 3.755 1.00 1.31 C ATOM 833 CD1 ILE A 74 -12.524 2.905 6.590 1.00 2.13 C ATOM 0 H ILE A 74 -9.949 6.705 5.988 1.00 51.42 H new ATOM 0 HA ILE A 74 -9.280 4.274 4.469 1.00 74.53 H new ATOM 0 HB ILE A 74 -12.022 5.304 5.310 1.00 55.15 H new ATOM 0 HG12 ILE A 74 -10.578 2.672 5.794 1.00 41.32 H new ATOM 0 HG13 ILE A 74 -10.730 3.960 6.973 1.00 41.32 H new ATOM 0 HG21 ILE A 74 -12.943 3.445 4.001 1.00 1.31 H new ATOM 0 HG22 ILE A 74 -12.071 4.605 2.971 1.00 1.31 H new ATOM 0 HG23 ILE A 74 -11.313 3.054 3.405 1.00 1.31 H new ATOM 0 HD11 ILE A 74 -12.338 2.192 7.393 1.00 2.13 H new ATOM 0 HD12 ILE A 74 -13.168 3.704 6.957 1.00 2.13 H new ATOM 0 HD13 ILE A 74 -13.013 2.397 5.759 1.00 2.13 H new ATOM 845 N VAL A 75 -9.253 5.761 2.521 1.00 45.42 N ATOM 846 CA VAL A 75 -9.227 6.509 1.278 1.00 2.41 C ATOM 847 C VAL A 75 -9.061 5.480 0.174 1.00 63.23 C ATOM 848 O VAL A 75 -8.638 4.370 0.457 1.00 53.23 O ATOM 849 CB VAL A 75 -8.062 7.564 1.256 1.00 23.05 C ATOM 850 CG1 VAL A 75 -6.695 6.905 1.268 1.00 63.23 C ATOM 851 CG2 VAL A 75 -8.194 8.541 0.093 1.00 51.45 C ATOM 0 H VAL A 75 -8.579 4.996 2.550 1.00 45.42 H new ATOM 0 HA VAL A 75 -10.144 7.084 1.151 1.00 2.41 H new ATOM 0 HB VAL A 75 -8.153 8.141 2.176 1.00 23.05 H new ATOM 0 HG11 VAL A 75 -5.921 7.672 1.252 1.00 63.23 H new ATOM 0 HG12 VAL A 75 -6.590 6.302 2.170 1.00 63.23 H new ATOM 0 HG13 VAL A 75 -6.591 6.267 0.391 1.00 63.23 H new ATOM 0 HG21 VAL A 75 -7.367 9.251 0.119 1.00 51.45 H new ATOM 0 HG22 VAL A 75 -8.171 7.992 -0.848 1.00 51.45 H new ATOM 0 HG23 VAL A 75 -9.138 9.080 0.176 1.00 51.45 H new ATOM 861 N PHE A 76 -9.411 5.793 -1.045 1.00 72.43 N ATOM 862 CA PHE A 76 -9.308 4.784 -2.087 1.00 52.50 C ATOM 863 C PHE A 76 -8.381 5.254 -3.171 1.00 64.01 C ATOM 864 O PHE A 76 -8.294 6.460 -3.434 1.00 53.52 O ATOM 865 CB PHE A 76 -10.690 4.477 -2.681 1.00 32.20 C ATOM 866 CG PHE A 76 -11.741 4.202 -1.645 1.00 70.11 C ATOM 867 CD1 PHE A 76 -11.448 3.450 -0.529 1.00 53.41 C ATOM 868 CD2 PHE A 76 -13.015 4.697 -1.790 1.00 1.23 C ATOM 869 CE1 PHE A 76 -12.389 3.199 0.422 1.00 4.23 C ATOM 870 CE2 PHE A 76 -13.973 4.449 -0.836 1.00 33.13 C ATOM 871 CZ PHE A 76 -13.659 3.699 0.276 1.00 14.54 C ATOM 0 H PHE A 76 -9.760 6.704 -1.344 1.00 72.43 H new ATOM 0 HA PHE A 76 -8.908 3.872 -1.644 1.00 52.50 H new ATOM 0 HB2 PHE A 76 -11.008 5.320 -3.295 1.00 32.20 H new ATOM 0 HB3 PHE A 76 -10.609 3.614 -3.342 1.00 32.20 H new ATOM 0 HD1 PHE A 76 -10.452 3.052 -0.406 1.00 53.41 H new ATOM 0 HD2 PHE A 76 -13.265 5.285 -2.660 1.00 1.23 H new ATOM 0 HE1 PHE A 76 -12.137 2.608 1.290 1.00 4.23 H new ATOM 0 HE2 PHE A 76 -14.972 4.842 -0.958 1.00 33.13 H new ATOM 0 HZ PHE A 76 -14.408 3.505 1.029 1.00 14.54 H new ATOM 881 N TRP A 77 -7.658 4.339 -3.781 1.00 73.52 N ATOM 882 CA TRP A 77 -6.805 4.705 -4.873 1.00 1.45 C ATOM 883 C TRP A 77 -7.152 3.857 -6.067 1.00 20.40 C ATOM 884 O TRP A 77 -7.679 2.748 -5.922 1.00 23.20 O ATOM 885 CB TRP A 77 -5.288 4.630 -4.525 1.00 52.00 C ATOM 886 CG TRP A 77 -4.608 3.308 -4.687 1.00 44.31 C ATOM 887 CD1 TRP A 77 -4.156 2.807 -5.854 1.00 15.33 C ATOM 888 CD2 TRP A 77 -4.253 2.357 -3.677 1.00 13.24 C ATOM 889 NE1 TRP A 77 -3.553 1.596 -5.657 1.00 11.11 N ATOM 890 CE2 TRP A 77 -3.599 1.293 -4.326 1.00 60.01 C ATOM 891 CE3 TRP A 77 -4.428 2.294 -2.300 1.00 12.13 C ATOM 892 CZ2 TRP A 77 -3.119 0.185 -3.644 1.00 63.31 C ATOM 893 CZ3 TRP A 77 -3.951 1.189 -1.618 1.00 33.25 C ATOM 894 CH2 TRP A 77 -3.303 0.149 -2.291 1.00 75.24 C ATOM 0 H TRP A 77 -7.648 3.349 -3.537 1.00 73.52 H new ATOM 0 HA TRP A 77 -6.984 5.755 -5.105 1.00 1.45 H new ATOM 0 HB2 TRP A 77 -4.764 5.356 -5.146 1.00 52.00 H new ATOM 0 HB3 TRP A 77 -5.164 4.948 -3.490 1.00 52.00 H new ATOM 0 HD1 TRP A 77 -4.256 3.295 -6.812 1.00 15.33 H new ATOM 0 HE1 TRP A 77 -3.137 1.014 -6.384 1.00 11.11 H new ATOM 0 HE3 TRP A 77 -4.927 3.093 -1.772 1.00 12.13 H new ATOM 0 HZ2 TRP A 77 -2.619 -0.619 -4.163 1.00 63.31 H new ATOM 0 HZ3 TRP A 77 -4.081 1.129 -0.548 1.00 33.25 H new ATOM 0 HH2 TRP A 77 -2.941 -0.700 -1.730 1.00 75.24 H new ATOM 905 N ASN A 78 -6.877 4.365 -7.219 1.00 65.33 N ATOM 906 CA ASN A 78 -7.171 3.678 -8.444 1.00 25.10 C ATOM 907 C ASN A 78 -5.887 3.252 -9.089 1.00 50.24 C ATOM 908 O ASN A 78 -4.947 4.045 -9.197 1.00 53.33 O ATOM 909 CB ASN A 78 -7.978 4.576 -9.387 1.00 41.40 C ATOM 910 CG ASN A 78 -9.339 4.946 -8.820 1.00 24.13 C ATOM 911 OD1 ASN A 78 -10.316 4.251 -9.043 1.00 61.03 O ATOM 912 ND2 ASN A 78 -9.414 6.043 -8.092 1.00 1.11 N ATOM 0 H ASN A 78 -6.438 5.277 -7.346 1.00 65.33 H new ATOM 0 HA ASN A 78 -7.775 2.797 -8.227 1.00 25.10 H new ATOM 0 HB2 ASN A 78 -7.413 5.486 -9.588 1.00 41.40 H new ATOM 0 HB3 ASN A 78 -8.112 4.067 -10.341 1.00 41.40 H new ATOM 0 HD21 ASN A 78 -10.309 6.332 -7.696 1.00 1.11 H new ATOM 0 HD22 ASN A 78 -8.577 6.602 -7.924 1.00 1.11 H new ATOM 919 N TYR A 79 -5.824 2.018 -9.498 1.00 25.25 N ATOM 920 CA TYR A 79 -4.629 1.489 -10.103 1.00 54.42 C ATOM 921 C TYR A 79 -5.006 0.575 -11.237 1.00 22.01 C ATOM 922 O TYR A 79 -6.120 0.061 -11.283 1.00 74.33 O ATOM 923 CB TYR A 79 -3.740 0.751 -9.059 1.00 61.40 C ATOM 924 CG TYR A 79 -4.319 -0.534 -8.464 1.00 73.02 C ATOM 925 CD1 TYR A 79 -5.385 -0.511 -7.572 1.00 40.31 C ATOM 926 CD2 TYR A 79 -3.770 -1.772 -8.789 1.00 32.12 C ATOM 927 CE1 TYR A 79 -5.887 -1.682 -7.029 1.00 71.25 C ATOM 928 CE2 TYR A 79 -4.271 -2.942 -8.249 1.00 12.20 C ATOM 929 CZ TYR A 79 -5.326 -2.890 -7.371 1.00 15.53 C ATOM 930 OH TYR A 79 -5.831 -4.057 -6.832 1.00 3.13 O ATOM 0 H TYR A 79 -6.592 1.351 -9.424 1.00 25.25 H new ATOM 0 HA TYR A 79 -4.038 2.317 -10.494 1.00 54.42 H new ATOM 0 HB2 TYR A 79 -2.787 0.511 -9.530 1.00 61.40 H new ATOM 0 HB3 TYR A 79 -3.527 1.441 -8.242 1.00 61.40 H new ATOM 0 HD1 TYR A 79 -5.829 0.435 -7.298 1.00 40.31 H new ATOM 0 HD2 TYR A 79 -2.938 -1.819 -9.475 1.00 32.12 H new ATOM 0 HE1 TYR A 79 -6.717 -1.647 -6.339 1.00 71.25 H new ATOM 0 HE2 TYR A 79 -3.835 -3.893 -8.516 1.00 12.20 H new ATOM 0 HH TYR A 79 -5.323 -4.292 -6.027 1.00 3.13 H new ATOM 940 N VAL A 80 -4.115 0.378 -12.137 1.00 23.15 N ATOM 941 CA VAL A 80 -4.372 -0.470 -13.254 1.00 73.24 C ATOM 942 C VAL A 80 -3.608 -1.758 -13.079 1.00 1.30 C ATOM 943 O VAL A 80 -2.393 -1.753 -13.018 1.00 73.52 O ATOM 944 CB VAL A 80 -3.989 0.218 -14.591 1.00 23.32 C ATOM 945 CG1 VAL A 80 -4.223 -0.714 -15.765 1.00 44.34 C ATOM 946 CG2 VAL A 80 -4.796 1.494 -14.776 1.00 21.25 C ATOM 0 H VAL A 80 -3.185 0.797 -12.126 1.00 23.15 H new ATOM 0 HA VAL A 80 -5.441 -0.680 -13.297 1.00 73.24 H new ATOM 0 HB VAL A 80 -2.929 0.467 -14.553 1.00 23.32 H new ATOM 0 HG11 VAL A 80 -3.947 -0.209 -16.691 1.00 44.34 H new ATOM 0 HG12 VAL A 80 -3.614 -1.610 -15.645 1.00 44.34 H new ATOM 0 HG13 VAL A 80 -5.276 -0.993 -15.804 1.00 44.34 H new ATOM 0 HG21 VAL A 80 -4.518 1.967 -15.718 1.00 21.25 H new ATOM 0 HG22 VAL A 80 -5.859 1.253 -14.791 1.00 21.25 H new ATOM 0 HG23 VAL A 80 -4.590 2.177 -13.952 1.00 21.25 H new ATOM 956 N HIS A 81 -4.325 -2.845 -13.007 1.00 25.13 N ATOM 957 CA HIS A 81 -3.735 -4.144 -12.785 1.00 30.24 C ATOM 958 C HIS A 81 -4.235 -5.091 -13.849 1.00 32.33 C ATOM 959 O HIS A 81 -5.438 -5.198 -14.055 1.00 20.23 O ATOM 960 CB HIS A 81 -4.102 -4.661 -11.376 1.00 22.34 C ATOM 961 CG HIS A 81 -3.491 -5.988 -10.994 1.00 32.12 C ATOM 962 ND1 HIS A 81 -2.360 -6.096 -10.237 1.00 42.33 N ATOM 963 CD2 HIS A 81 -3.878 -7.256 -11.255 1.00 0.14 C ATOM 964 CE1 HIS A 81 -2.068 -7.356 -10.044 1.00 4.13 C ATOM 965 NE2 HIS A 81 -2.977 -8.088 -10.652 1.00 31.42 N ATOM 0 H HIS A 81 -5.341 -2.859 -13.101 1.00 25.13 H new ATOM 0 HA HIS A 81 -2.649 -4.075 -12.844 1.00 30.24 H new ATOM 0 HB2 HIS A 81 -3.796 -3.915 -10.643 1.00 22.34 H new ATOM 0 HB3 HIS A 81 -5.187 -4.747 -11.310 1.00 22.34 H new ATOM 0 HD1 HIS A 81 -1.822 -5.309 -9.875 1.00 42.33 H new ATOM 0 HD2 HIS A 81 -4.740 -7.556 -11.833 1.00 0.14 H new ATOM 0 HE1 HIS A 81 -1.226 -7.731 -9.482 1.00 4.13 H new ATOM 974 N ASP A 82 -3.304 -5.752 -14.526 1.00 3.31 N ATOM 975 CA ASP A 82 -3.579 -6.714 -15.629 1.00 64.52 C ATOM 976 C ASP A 82 -4.244 -5.962 -16.787 1.00 54.12 C ATOM 977 O ASP A 82 -4.980 -6.522 -17.591 1.00 1.01 O ATOM 978 CB ASP A 82 -4.494 -7.863 -15.126 1.00 61.24 C ATOM 979 CG ASP A 82 -4.573 -9.054 -16.085 1.00 61.52 C ATOM 980 OD1 ASP A 82 -3.640 -9.882 -16.081 1.00 5.35 O ATOM 981 OD2 ASP A 82 -5.572 -9.199 -16.829 1.00 23.20 O ATOM 0 H ASP A 82 -2.308 -5.644 -14.332 1.00 3.31 H new ATOM 0 HA ASP A 82 -2.644 -7.156 -15.974 1.00 64.52 H new ATOM 0 HB2 ASP A 82 -4.128 -8.210 -14.160 1.00 61.24 H new ATOM 0 HB3 ASP A 82 -5.498 -7.471 -14.964 1.00 61.24 H new ATOM 986 N GLY A 83 -3.914 -4.687 -16.896 1.00 63.31 N ATOM 987 CA GLY A 83 -4.502 -3.848 -17.921 1.00 75.14 C ATOM 988 C GLY A 83 -5.921 -3.422 -17.568 1.00 31.22 C ATOM 989 O GLY A 83 -6.578 -2.719 -18.339 1.00 43.34 O ATOM 0 H GLY A 83 -3.245 -4.213 -16.289 1.00 63.31 H new ATOM 0 HA2 GLY A 83 -3.883 -2.962 -18.063 1.00 75.14 H new ATOM 0 HA3 GLY A 83 -4.511 -4.386 -18.869 1.00 75.14 H new ATOM 993 N GLU A 84 -6.382 -3.847 -16.411 1.00 23.33 N ATOM 994 CA GLU A 84 -7.714 -3.546 -15.947 1.00 12.12 C ATOM 995 C GLU A 84 -7.723 -2.469 -14.910 1.00 43.13 C ATOM 996 O GLU A 84 -6.753 -2.270 -14.178 1.00 21.13 O ATOM 997 CB GLU A 84 -8.372 -4.774 -15.390 1.00 53.34 C ATOM 998 CG GLU A 84 -8.670 -5.805 -16.415 1.00 71.21 C ATOM 999 CD GLU A 84 -9.704 -5.352 -17.398 1.00 30.42 C ATOM 1000 OE1 GLU A 84 -10.893 -5.350 -17.042 1.00 64.42 O ATOM 1001 OE2 GLU A 84 -9.358 -4.982 -18.527 1.00 41.31 O ATOM 0 H GLU A 84 -5.836 -4.415 -15.763 1.00 23.33 H new ATOM 0 HA GLU A 84 -8.272 -3.189 -16.813 1.00 12.12 H new ATOM 0 HB2 GLU A 84 -7.726 -5.208 -14.627 1.00 53.34 H new ATOM 0 HB3 GLU A 84 -9.300 -4.486 -14.896 1.00 53.34 H new ATOM 0 HG2 GLU A 84 -7.754 -6.059 -16.947 1.00 71.21 H new ATOM 0 HG3 GLU A 84 -9.015 -6.714 -15.922 1.00 71.21 H new ATOM 1008 N ALA A 85 -8.820 -1.804 -14.841 1.00 24.14 N ATOM 1009 CA ALA A 85 -9.012 -0.725 -13.900 1.00 62.51 C ATOM 1010 C ALA A 85 -9.441 -1.279 -12.556 1.00 24.44 C ATOM 1011 O ALA A 85 -10.495 -1.907 -12.440 1.00 53.12 O ATOM 1012 CB ALA A 85 -10.044 0.258 -14.420 1.00 65.12 C ATOM 0 H ALA A 85 -9.628 -1.985 -15.437 1.00 24.14 H new ATOM 0 HA ALA A 85 -8.067 -0.196 -13.778 1.00 62.51 H new ATOM 0 HB1 ALA A 85 -10.175 1.064 -13.698 1.00 65.12 H new ATOM 0 HB2 ALA A 85 -9.705 0.673 -15.369 1.00 65.12 H new ATOM 0 HB3 ALA A 85 -10.994 -0.256 -14.567 1.00 65.12 H new ATOM 1018 N LYS A 86 -8.619 -1.078 -11.568 1.00 21.12 N ATOM 1019 CA LYS A 86 -8.878 -1.536 -10.222 1.00 30.13 C ATOM 1020 C LYS A 86 -8.983 -0.378 -9.257 1.00 72.44 C ATOM 1021 O LYS A 86 -8.281 0.630 -9.395 1.00 33.31 O ATOM 1022 CB LYS A 86 -7.761 -2.466 -9.729 1.00 54.33 C ATOM 1023 CG LYS A 86 -7.878 -3.945 -10.064 1.00 52.43 C ATOM 1024 CD LYS A 86 -7.983 -4.241 -11.533 1.00 65.32 C ATOM 1025 CE LYS A 86 -7.991 -5.737 -11.760 1.00 4.54 C ATOM 1026 NZ LYS A 86 -9.044 -6.411 -10.976 1.00 5.43 N ATOM 0 H LYS A 86 -7.733 -0.583 -11.670 1.00 21.12 H new ATOM 0 HA LYS A 86 -9.825 -2.076 -10.254 1.00 30.13 H new ATOM 0 HB2 LYS A 86 -6.817 -2.103 -10.136 1.00 54.33 H new ATOM 0 HB3 LYS A 86 -7.698 -2.371 -8.645 1.00 54.33 H new ATOM 0 HG2 LYS A 86 -7.009 -4.466 -9.662 1.00 52.43 H new ATOM 0 HG3 LYS A 86 -8.755 -4.351 -9.560 1.00 52.43 H new ATOM 0 HD2 LYS A 86 -8.893 -3.799 -11.937 1.00 65.32 H new ATOM 0 HD3 LYS A 86 -7.146 -3.789 -12.064 1.00 65.32 H new ATOM 0 HE2 LYS A 86 -8.141 -5.942 -12.820 1.00 4.54 H new ATOM 0 HE3 LYS A 86 -7.019 -6.149 -11.491 1.00 4.54 H new ATOM 0 HZ1 LYS A 86 -9.174 -7.380 -11.330 1.00 5.43 H new ATOM 0 HZ2 LYS A 86 -8.765 -6.443 -9.975 1.00 5.43 H new ATOM 0 HZ3 LYS A 86 -9.937 -5.886 -11.070 1.00 5.43 H new ATOM 1040 N VAL A 87 -9.850 -0.517 -8.296 1.00 1.51 N ATOM 1041 CA VAL A 87 -9.973 0.442 -7.234 1.00 43.30 C ATOM 1042 C VAL A 87 -9.590 -0.277 -5.962 1.00 12.32 C ATOM 1043 O VAL A 87 -10.097 -1.379 -5.693 1.00 72.25 O ATOM 1044 CB VAL A 87 -11.433 0.970 -7.089 1.00 33.00 C ATOM 1045 CG1 VAL A 87 -11.533 2.038 -5.994 1.00 40.53 C ATOM 1046 CG2 VAL A 87 -11.954 1.507 -8.412 1.00 30.41 C ATOM 0 H VAL A 87 -10.496 -1.303 -8.226 1.00 1.51 H new ATOM 0 HA VAL A 87 -9.336 1.301 -7.443 1.00 43.30 H new ATOM 0 HB VAL A 87 -12.059 0.128 -6.794 1.00 33.00 H new ATOM 0 HG11 VAL A 87 -12.563 2.386 -5.918 1.00 40.53 H new ATOM 0 HG12 VAL A 87 -11.223 1.611 -5.040 1.00 40.53 H new ATOM 0 HG13 VAL A 87 -10.884 2.877 -6.244 1.00 40.53 H new ATOM 0 HG21 VAL A 87 -12.974 1.868 -8.282 1.00 30.41 H new ATOM 0 HG22 VAL A 87 -11.319 2.327 -8.748 1.00 30.41 H new ATOM 0 HG23 VAL A 87 -11.943 0.711 -9.157 1.00 30.41 H new ATOM 1056 N ALA A 88 -8.742 0.316 -5.187 1.00 52.22 N ATOM 1057 CA ALA A 88 -8.289 -0.296 -3.982 1.00 42.24 C ATOM 1058 C ALA A 88 -8.875 0.414 -2.824 1.00 42.13 C ATOM 1059 O ALA A 88 -8.642 1.611 -2.627 1.00 43.34 O ATOM 1060 CB ALA A 88 -6.782 -0.267 -3.886 1.00 12.35 C ATOM 0 H ALA A 88 -8.344 1.237 -5.371 1.00 52.22 H new ATOM 0 HA ALA A 88 -8.608 -1.338 -3.983 1.00 42.24 H new ATOM 0 HB1 ALA A 88 -6.467 -0.741 -2.956 1.00 12.35 H new ATOM 0 HB2 ALA A 88 -6.353 -0.806 -4.731 1.00 12.35 H new ATOM 0 HB3 ALA A 88 -6.436 0.767 -3.901 1.00 12.35 H new ATOM 1066 N LYS A 89 -9.668 -0.294 -2.087 1.00 61.45 N ATOM 1067 CA LYS A 89 -10.263 0.242 -0.930 1.00 35.13 C ATOM 1068 C LYS A 89 -9.537 -0.304 0.303 1.00 14.32 C ATOM 1069 O LYS A 89 -9.475 -1.525 0.512 1.00 2.13 O ATOM 1070 CB LYS A 89 -11.785 -0.005 -0.939 1.00 21.51 C ATOM 1071 CG LYS A 89 -12.480 0.672 -2.127 1.00 34.21 C ATOM 1072 CD LYS A 89 -13.991 0.547 -2.074 1.00 10.31 C ATOM 1073 CE LYS A 89 -14.642 1.326 -3.204 1.00 40.54 C ATOM 1074 NZ LYS A 89 -16.118 1.232 -3.171 1.00 61.32 N ATOM 0 H LYS A 89 -9.916 -1.264 -2.281 1.00 61.45 H new ATOM 0 HA LYS A 89 -10.154 1.326 -0.902 1.00 35.13 H new ATOM 0 HB2 LYS A 89 -11.976 -1.078 -0.973 1.00 21.51 H new ATOM 0 HB3 LYS A 89 -12.216 0.366 -0.009 1.00 21.51 H new ATOM 0 HG2 LYS A 89 -12.208 1.727 -2.148 1.00 34.21 H new ATOM 0 HG3 LYS A 89 -12.116 0.231 -3.055 1.00 34.21 H new ATOM 0 HD2 LYS A 89 -14.275 -0.503 -2.141 1.00 10.31 H new ATOM 0 HD3 LYS A 89 -14.357 0.916 -1.116 1.00 10.31 H new ATOM 0 HE2 LYS A 89 -14.345 2.373 -3.139 1.00 40.54 H new ATOM 0 HE3 LYS A 89 -14.277 0.950 -4.160 1.00 40.54 H new ATOM 0 HZ1 LYS A 89 -16.527 1.997 -3.745 1.00 61.32 H new ATOM 0 HZ2 LYS A 89 -16.416 0.313 -3.556 1.00 61.32 H new ATOM 0 HZ3 LYS A 89 -16.450 1.320 -2.189 1.00 61.32 H new ATOM 1088 N GLU A 90 -9.047 0.597 1.133 1.00 43.21 N ATOM 1089 CA GLU A 90 -8.138 0.266 2.209 1.00 61.21 C ATOM 1090 C GLU A 90 -8.628 0.839 3.523 1.00 1.33 C ATOM 1091 O GLU A 90 -9.452 1.757 3.552 1.00 45.31 O ATOM 1092 CB GLU A 90 -6.760 0.902 1.927 1.00 34.14 C ATOM 1093 CG GLU A 90 -6.838 2.430 1.830 1.00 55.41 C ATOM 1094 CD GLU A 90 -5.507 3.138 1.675 1.00 62.11 C ATOM 1095 OE1 GLU A 90 -5.003 3.235 0.558 1.00 33.30 O ATOM 1096 OE2 GLU A 90 -4.969 3.648 2.693 1.00 43.44 O ATOM 0 H GLU A 90 -9.273 1.590 1.077 1.00 43.21 H new ATOM 0 HA GLU A 90 -8.075 -0.820 2.272 1.00 61.21 H new ATOM 0 HB2 GLU A 90 -6.065 0.625 2.719 1.00 34.14 H new ATOM 0 HB3 GLU A 90 -6.360 0.500 0.996 1.00 34.14 H new ATOM 0 HG2 GLU A 90 -7.471 2.692 0.982 1.00 55.41 H new ATOM 0 HG3 GLU A 90 -7.331 2.810 2.725 1.00 55.41 H new ATOM 1103 N ARG A 91 -8.134 0.292 4.583 1.00 61.04 N ATOM 1104 CA ARG A 91 -8.330 0.824 5.886 1.00 62.41 C ATOM 1105 C ARG A 91 -6.995 0.766 6.593 1.00 32.14 C ATOM 1106 O ARG A 91 -6.339 -0.286 6.581 1.00 33.21 O ATOM 1107 CB ARG A 91 -9.342 0.007 6.687 1.00 32.44 C ATOM 1108 CG ARG A 91 -9.623 0.590 8.067 1.00 44.52 C ATOM 1109 CD ARG A 91 -10.523 -0.312 8.881 1.00 3.44 C ATOM 1110 NE ARG A 91 -10.852 0.279 10.183 1.00 4.04 N ATOM 1111 CZ ARG A 91 -10.392 -0.150 11.365 1.00 50.40 C ATOM 1112 NH1 ARG A 91 -9.440 -1.068 11.427 1.00 11.31 N ATOM 1113 NH2 ARG A 91 -10.850 0.391 12.488 1.00 0.54 N ATOM 0 H ARG A 91 -7.570 -0.557 4.565 1.00 61.04 H new ATOM 0 HA ARG A 91 -8.715 1.841 5.805 1.00 62.41 H new ATOM 0 HB2 ARG A 91 -10.276 -0.053 6.128 1.00 32.44 H new ATOM 0 HB3 ARG A 91 -8.971 -1.012 6.798 1.00 32.44 H new ATOM 0 HG2 ARG A 91 -8.683 0.740 8.597 1.00 44.52 H new ATOM 0 HG3 ARG A 91 -10.089 1.570 7.961 1.00 44.52 H new ATOM 0 HD2 ARG A 91 -11.442 -0.505 8.327 1.00 3.44 H new ATOM 0 HD3 ARG A 91 -10.033 -1.274 9.032 1.00 3.44 H new ATOM 0 HE ARG A 91 -11.482 1.081 10.188 1.00 4.04 H new ATOM 0 HH11 ARG A 91 -9.049 -1.456 10.569 1.00 11.31 H new ATOM 0 HH12 ARG A 91 -9.097 -1.387 12.333 1.00 11.31 H new ATOM 0 HH21 ARG A 91 -11.550 1.131 12.449 1.00 0.54 H new ATOM 0 HH22 ARG A 91 -10.501 0.066 13.390 1.00 0.54 H new ATOM 1127 N ILE A 92 -6.558 1.865 7.155 1.00 2.34 N ATOM 1128 CA ILE A 92 -5.330 1.850 7.916 1.00 24.31 C ATOM 1129 C ILE A 92 -5.587 1.280 9.293 1.00 25.13 C ATOM 1130 O ILE A 92 -6.413 1.798 10.045 1.00 72.43 O ATOM 1131 CB ILE A 92 -4.662 3.258 8.023 1.00 4.11 C ATOM 1132 CG1 ILE A 92 -4.218 3.738 6.631 1.00 41.23 C ATOM 1133 CG2 ILE A 92 -3.486 3.243 9.003 1.00 2.13 C ATOM 1134 CD1 ILE A 92 -3.473 5.065 6.629 1.00 2.24 C ATOM 0 H ILE A 92 -7.025 2.770 7.103 1.00 2.34 H new ATOM 0 HA ILE A 92 -4.626 1.214 7.379 1.00 24.31 H new ATOM 0 HB ILE A 92 -5.399 3.960 8.414 1.00 4.11 H new ATOM 0 HG12 ILE A 92 -3.579 2.976 6.185 1.00 41.23 H new ATOM 0 HG13 ILE A 92 -5.098 3.829 5.994 1.00 41.23 H new ATOM 0 HG21 ILE A 92 -3.043 4.237 9.055 1.00 2.13 H new ATOM 0 HG22 ILE A 92 -3.840 2.952 9.992 1.00 2.13 H new ATOM 0 HG23 ILE A 92 -2.737 2.529 8.661 1.00 2.13 H new ATOM 0 HD11 ILE A 92 -3.198 5.326 5.607 1.00 2.24 H new ATOM 0 HD12 ILE A 92 -4.115 5.843 7.042 1.00 2.24 H new ATOM 0 HD13 ILE A 92 -2.572 4.977 7.236 1.00 2.24 H new ATOM 1146 N GLU A 93 -4.865 0.239 9.619 1.00 1.21 N ATOM 1147 CA GLU A 93 -5.003 -0.419 10.897 1.00 2.43 C ATOM 1148 C GLU A 93 -4.033 0.188 11.878 1.00 55.41 C ATOM 1149 O GLU A 93 -4.363 0.431 13.042 1.00 4.22 O ATOM 1150 CB GLU A 93 -4.654 -1.885 10.744 1.00 12.03 C ATOM 1151 CG GLU A 93 -5.528 -2.658 9.793 1.00 54.22 C ATOM 1152 CD GLU A 93 -6.932 -2.763 10.267 1.00 23.54 C ATOM 1153 OE1 GLU A 93 -7.169 -3.444 11.284 1.00 20.34 O ATOM 1154 OE2 GLU A 93 -7.827 -2.188 9.643 1.00 74.33 O ATOM 0 H GLU A 93 -4.164 -0.178 9.007 1.00 1.21 H new ATOM 0 HA GLU A 93 -6.027 -0.303 11.251 1.00 2.43 H new ATOM 0 HB2 GLU A 93 -3.621 -1.962 10.406 1.00 12.03 H new ATOM 0 HB3 GLU A 93 -4.705 -2.358 11.725 1.00 12.03 H new ATOM 0 HG2 GLU A 93 -5.513 -2.174 8.816 1.00 54.22 H new ATOM 0 HG3 GLU A 93 -5.117 -3.659 9.659 1.00 54.22 H new ATOM 1161 N ALA A 94 -2.842 0.442 11.394 1.00 73.31 N ATOM 1162 CA ALA A 94 -1.779 0.995 12.180 1.00 43.33 C ATOM 1163 C ALA A 94 -0.781 1.614 11.256 1.00 24.45 C ATOM 1164 O ALA A 94 -0.524 1.078 10.171 1.00 25.54 O ATOM 1165 CB ALA A 94 -1.109 -0.093 12.994 1.00 2.12 C ATOM 0 H ALA A 94 -2.585 0.265 10.423 1.00 73.31 H new ATOM 0 HA ALA A 94 -2.179 1.744 12.864 1.00 43.33 H new ATOM 0 HB1 ALA A 94 -0.303 0.340 13.587 1.00 2.12 H new ATOM 0 HB2 ALA A 94 -1.841 -0.554 13.658 1.00 2.12 H new ATOM 0 HB3 ALA A 94 -0.700 -0.849 12.324 1.00 2.12 H new ATOM 1171 N VAL A 95 -0.247 2.729 11.648 1.00 60.20 N ATOM 1172 CA VAL A 95 0.742 3.409 10.868 1.00 53.13 C ATOM 1173 C VAL A 95 1.730 4.114 11.777 1.00 4.24 C ATOM 1174 O VAL A 95 1.350 4.912 12.636 1.00 73.35 O ATOM 1175 CB VAL A 95 0.119 4.392 9.820 1.00 10.14 C ATOM 1176 CG1 VAL A 95 -0.782 5.426 10.468 1.00 63.45 C ATOM 1177 CG2 VAL A 95 1.201 5.066 8.977 1.00 43.13 C ATOM 0 H VAL A 95 -0.486 3.196 12.523 1.00 60.20 H new ATOM 0 HA VAL A 95 1.275 2.656 10.288 1.00 53.13 H new ATOM 0 HB VAL A 95 -0.503 3.790 9.158 1.00 10.14 H new ATOM 0 HG11 VAL A 95 -1.190 6.085 9.701 1.00 63.45 H new ATOM 0 HG12 VAL A 95 -1.598 4.923 10.987 1.00 63.45 H new ATOM 0 HG13 VAL A 95 -0.206 6.014 11.182 1.00 63.45 H new ATOM 0 HG21 VAL A 95 0.735 5.742 8.260 1.00 43.13 H new ATOM 0 HG22 VAL A 95 1.869 5.631 9.627 1.00 43.13 H new ATOM 0 HG23 VAL A 95 1.771 4.307 8.442 1.00 43.13 H new ATOM 1187 N GLU A 96 2.970 3.794 11.603 1.00 43.05 N ATOM 1188 CA GLU A 96 4.031 4.372 12.370 1.00 0.15 C ATOM 1189 C GLU A 96 4.795 5.339 11.516 1.00 63.15 C ATOM 1190 O GLU A 96 5.484 4.922 10.588 1.00 74.23 O ATOM 1191 CB GLU A 96 4.991 3.298 12.858 1.00 14.10 C ATOM 1192 CG GLU A 96 4.404 2.312 13.840 1.00 34.14 C ATOM 1193 CD GLU A 96 3.939 2.994 15.104 1.00 71.43 C ATOM 1194 OE1 GLU A 96 4.786 3.292 15.975 1.00 51.50 O ATOM 1195 OE2 GLU A 96 2.731 3.250 15.244 1.00 11.10 O ATOM 0 H GLU A 96 3.283 3.112 10.912 1.00 43.05 H new ATOM 0 HA GLU A 96 3.594 4.881 13.229 1.00 0.15 H new ATOM 0 HB2 GLU A 96 5.366 2.748 11.995 1.00 14.10 H new ATOM 0 HB3 GLU A 96 5.849 3.784 13.323 1.00 14.10 H new ATOM 0 HG2 GLU A 96 3.565 1.792 13.377 1.00 34.14 H new ATOM 0 HG3 GLU A 96 5.150 1.556 14.087 1.00 34.14 H new ATOM 1202 N PRO A 97 4.667 6.636 11.772 1.00 21.42 N ATOM 1203 CA PRO A 97 5.415 7.639 11.044 1.00 53.14 C ATOM 1204 C PRO A 97 6.922 7.511 11.300 1.00 30.41 C ATOM 1205 O PRO A 97 7.728 7.519 10.365 1.00 74.31 O ATOM 1206 CB PRO A 97 4.887 8.971 11.603 1.00 41.10 C ATOM 1207 CG PRO A 97 3.586 8.629 12.235 1.00 13.43 C ATOM 1208 CD PRO A 97 3.750 7.236 12.754 1.00 41.22 C ATOM 0 HA PRO A 97 5.287 7.545 9.966 1.00 53.14 H new ATOM 0 HB2 PRO A 97 5.579 9.397 12.329 1.00 41.10 H new ATOM 0 HB3 PRO A 97 4.760 9.710 10.811 1.00 41.10 H new ATOM 0 HG2 PRO A 97 3.346 9.323 13.041 1.00 13.43 H new ATOM 0 HG3 PRO A 97 2.772 8.686 11.513 1.00 13.43 H new ATOM 0 HD2 PRO A 97 4.169 7.225 13.760 1.00 41.22 H new ATOM 0 HD3 PRO A 97 2.799 6.705 12.799 1.00 41.22 H new ATOM 1216 N ASP A 98 7.290 7.353 12.560 1.00 11.21 N ATOM 1217 CA ASP A 98 8.694 7.294 12.945 1.00 50.45 C ATOM 1218 C ASP A 98 9.315 5.935 12.692 1.00 63.53 C ATOM 1219 O ASP A 98 10.480 5.846 12.298 1.00 52.52 O ATOM 1220 CB ASP A 98 8.901 7.724 14.398 1.00 51.41 C ATOM 1221 CG ASP A 98 8.506 9.157 14.643 1.00 42.43 C ATOM 1222 OD1 ASP A 98 9.304 10.060 14.355 1.00 75.21 O ATOM 1223 OD2 ASP A 98 7.383 9.406 15.120 1.00 63.34 O ATOM 0 H ASP A 98 6.636 7.263 13.337 1.00 11.21 H new ATOM 0 HA ASP A 98 9.212 8.006 12.303 1.00 50.45 H new ATOM 0 HB2 ASP A 98 8.319 7.074 15.051 1.00 51.41 H new ATOM 0 HB3 ASP A 98 9.949 7.589 14.667 1.00 51.41 H new ATOM 1228 N LYS A 99 8.547 4.876 12.898 1.00 22.45 N ATOM 1229 CA LYS A 99 9.060 3.519 12.693 1.00 3.32 C ATOM 1230 C LYS A 99 8.918 3.097 11.255 1.00 31.30 C ATOM 1231 O LYS A 99 9.461 2.069 10.834 1.00 64.44 O ATOM 1232 CB LYS A 99 8.331 2.528 13.569 1.00 12.01 C ATOM 1233 CG LYS A 99 8.448 2.813 15.040 1.00 22.21 C ATOM 1234 CD LYS A 99 7.773 1.738 15.819 1.00 24.35 C ATOM 1235 CE LYS A 99 7.869 1.978 17.308 1.00 43.13 C ATOM 1236 NZ LYS A 99 7.162 0.939 18.082 1.00 62.31 N ATOM 0 H LYS A 99 7.575 4.922 13.204 1.00 22.45 H new ATOM 0 HA LYS A 99 10.116 3.531 12.961 1.00 3.32 H new ATOM 0 HB2 LYS A 99 7.277 2.521 13.293 1.00 12.01 H new ATOM 0 HB3 LYS A 99 8.719 1.529 13.371 1.00 12.01 H new ATOM 0 HG2 LYS A 99 9.498 2.876 15.325 1.00 22.21 H new ATOM 0 HG3 LYS A 99 7.997 3.778 15.269 1.00 22.21 H new ATOM 0 HD2 LYS A 99 6.724 1.682 15.527 1.00 24.35 H new ATOM 0 HD3 LYS A 99 8.224 0.776 15.576 1.00 24.35 H new ATOM 0 HE2 LYS A 99 8.918 2.001 17.605 1.00 43.13 H new ATOM 0 HE3 LYS A 99 7.449 2.956 17.546 1.00 43.13 H new ATOM 0 HZ1 LYS A 99 7.253 1.141 19.098 1.00 62.31 H new ATOM 0 HZ2 LYS A 99 6.156 0.934 17.818 1.00 62.31 H new ATOM 0 HZ3 LYS A 99 7.579 0.009 17.876 1.00 62.31 H new ATOM 1250 N ASN A 100 8.178 3.898 10.513 1.00 51.03 N ATOM 1251 CA ASN A 100 7.860 3.655 9.117 1.00 53.50 C ATOM 1252 C ASN A 100 7.242 2.270 8.926 1.00 21.30 C ATOM 1253 O ASN A 100 7.868 1.342 8.409 1.00 5.32 O ATOM 1254 CB ASN A 100 9.057 3.919 8.187 1.00 14.33 C ATOM 1255 CG ASN A 100 8.722 3.738 6.724 1.00 22.23 C ATOM 1256 OD1 ASN A 100 7.593 3.914 6.304 1.00 22.35 O ATOM 1257 ND2 ASN A 100 9.710 3.415 5.940 1.00 24.34 N ATOM 0 H ASN A 100 7.769 4.760 10.874 1.00 51.03 H new ATOM 0 HA ASN A 100 7.102 4.380 8.820 1.00 53.50 H new ATOM 0 HB2 ASN A 100 9.418 4.935 8.348 1.00 14.33 H new ATOM 0 HB3 ASN A 100 9.872 3.246 8.453 1.00 14.33 H new ATOM 0 HD21 ASN A 100 9.551 3.302 4.939 1.00 24.34 H new ATOM 0 HD22 ASN A 100 10.643 3.275 6.327 1.00 24.34 H new ATOM 1264 N LEU A 101 6.044 2.140 9.432 1.00 2.43 N ATOM 1265 CA LEU A 101 5.282 0.915 9.395 1.00 21.11 C ATOM 1266 C LEU A 101 3.870 1.242 8.994 1.00 20.22 C ATOM 1267 O LEU A 101 3.344 2.268 9.404 1.00 3.14 O ATOM 1268 CB LEU A 101 5.253 0.284 10.792 1.00 61.43 C ATOM 1269 CG LEU A 101 4.410 -0.979 10.942 1.00 72.24 C ATOM 1270 CD1 LEU A 101 4.986 -2.116 10.152 1.00 74.24 C ATOM 1271 CD2 LEU A 101 4.240 -1.348 12.395 1.00 50.13 C ATOM 0 H LEU A 101 5.555 2.906 9.896 1.00 2.43 H new ATOM 0 HA LEU A 101 5.737 0.223 8.686 1.00 21.11 H new ATOM 0 HB2 LEU A 101 6.277 0.050 11.084 1.00 61.43 H new ATOM 0 HB3 LEU A 101 4.883 1.029 11.497 1.00 61.43 H new ATOM 0 HG LEU A 101 3.420 -0.769 10.536 1.00 72.24 H new ATOM 0 HD11 LEU A 101 4.362 -3.001 10.280 1.00 74.24 H new ATOM 0 HD12 LEU A 101 5.020 -1.845 9.097 1.00 74.24 H new ATOM 0 HD13 LEU A 101 5.995 -2.329 10.504 1.00 74.24 H new ATOM 0 HD21 LEU A 101 3.635 -2.252 12.473 1.00 50.13 H new ATOM 0 HD22 LEU A 101 5.218 -1.526 12.842 1.00 50.13 H new ATOM 0 HD23 LEU A 101 3.744 -0.533 12.922 1.00 50.13 H new ATOM 1283 N ILE A 102 3.265 0.399 8.209 1.00 31.11 N ATOM 1284 CA ILE A 102 1.901 0.616 7.800 1.00 2.42 C ATOM 1285 C ILE A 102 1.168 -0.709 7.542 1.00 52.04 C ATOM 1286 O ILE A 102 1.603 -1.546 6.740 1.00 4.04 O ATOM 1287 CB ILE A 102 1.833 1.555 6.557 1.00 63.23 C ATOM 1288 CG1 ILE A 102 0.407 1.690 5.993 1.00 22.52 C ATOM 1289 CG2 ILE A 102 2.812 1.126 5.491 1.00 34.25 C ATOM 1290 CD1 ILE A 102 -0.581 2.324 6.935 1.00 64.03 C ATOM 0 H ILE A 102 3.693 -0.449 7.836 1.00 31.11 H new ATOM 0 HA ILE A 102 1.386 1.112 8.623 1.00 2.42 H new ATOM 0 HB ILE A 102 2.124 2.548 6.899 1.00 63.23 H new ATOM 0 HG12 ILE A 102 0.447 2.280 5.077 1.00 22.52 H new ATOM 0 HG13 ILE A 102 0.044 0.700 5.718 1.00 22.52 H new ATOM 0 HG21 ILE A 102 2.740 1.801 4.638 1.00 34.25 H new ATOM 0 HG22 ILE A 102 3.825 1.157 5.893 1.00 34.25 H new ATOM 0 HG23 ILE A 102 2.579 0.110 5.171 1.00 34.25 H new ATOM 0 HD11 ILE A 102 -1.558 2.379 6.455 1.00 64.03 H new ATOM 0 HD12 ILE A 102 -0.655 1.724 7.842 1.00 64.03 H new ATOM 0 HD13 ILE A 102 -0.246 3.329 7.191 1.00 64.03 H new ATOM 1302 N THR A 103 0.088 -0.890 8.255 1.00 50.41 N ATOM 1303 CA THR A 103 -0.775 -2.037 8.096 1.00 4.33 C ATOM 1304 C THR A 103 -2.018 -1.662 7.245 1.00 73.24 C ATOM 1305 O THR A 103 -2.812 -0.785 7.635 1.00 45.54 O ATOM 1306 CB THR A 103 -1.237 -2.554 9.478 1.00 72.22 C ATOM 1307 OG1 THR A 103 -0.094 -2.900 10.279 1.00 34.32 O ATOM 1308 CG2 THR A 103 -2.128 -3.775 9.330 1.00 34.04 C ATOM 0 H THR A 103 -0.224 -0.237 8.974 1.00 50.41 H new ATOM 0 HA THR A 103 -0.214 -2.821 7.587 1.00 4.33 H new ATOM 0 HB THR A 103 -1.804 -1.760 9.964 1.00 72.22 H new ATOM 0 HG1 THR A 103 -0.394 -3.225 11.154 1.00 34.32 H new ATOM 0 HG21 THR A 103 -2.440 -4.120 10.316 1.00 34.04 H new ATOM 0 HG22 THR A 103 -3.008 -3.514 8.742 1.00 34.04 H new ATOM 0 HG23 THR A 103 -1.577 -4.569 8.826 1.00 34.04 H new ATOM 1316 N PHE A 104 -2.169 -2.326 6.101 1.00 12.35 N ATOM 1317 CA PHE A 104 -3.288 -2.096 5.180 1.00 13.22 C ATOM 1318 C PHE A 104 -4.311 -3.227 5.293 1.00 3.22 C ATOM 1319 O PHE A 104 -3.950 -4.406 5.213 1.00 73.14 O ATOM 1320 CB PHE A 104 -2.796 -2.085 3.710 1.00 74.34 C ATOM 1321 CG PHE A 104 -1.789 -1.044 3.345 1.00 31.54 C ATOM 1322 CD1 PHE A 104 -2.183 0.243 3.017 1.00 22.41 C ATOM 1323 CD2 PHE A 104 -0.447 -1.364 3.292 1.00 43.32 C ATOM 1324 CE1 PHE A 104 -1.249 1.190 2.644 1.00 73.31 C ATOM 1325 CE2 PHE A 104 0.484 -0.427 2.927 1.00 13.33 C ATOM 1326 CZ PHE A 104 0.091 0.849 2.601 1.00 31.43 C ATOM 0 H PHE A 104 -1.517 -3.043 5.782 1.00 12.35 H new ATOM 0 HA PHE A 104 -3.731 -1.137 5.446 1.00 13.22 H new ATOM 0 HB2 PHE A 104 -2.370 -3.063 3.487 1.00 74.34 H new ATOM 0 HB3 PHE A 104 -3.664 -1.960 3.062 1.00 74.34 H new ATOM 0 HD1 PHE A 104 -3.229 0.508 3.053 1.00 22.41 H new ATOM 0 HD2 PHE A 104 -0.127 -2.365 3.541 1.00 43.32 H new ATOM 0 HE1 PHE A 104 -1.563 2.191 2.387 1.00 73.31 H new ATOM 0 HE2 PHE A 104 1.530 -0.692 2.895 1.00 13.33 H new ATOM 0 HZ PHE A 104 0.827 1.584 2.312 1.00 31.43 H new ATOM 1336 N ARG A 105 -5.556 -2.879 5.494 1.00 52.22 N ATOM 1337 CA ARG A 105 -6.645 -3.848 5.436 1.00 35.31 C ATOM 1338 C ARG A 105 -7.451 -3.544 4.193 1.00 2.32 C ATOM 1339 O ARG A 105 -7.698 -2.375 3.909 1.00 54.43 O ATOM 1340 CB ARG A 105 -7.596 -3.705 6.632 1.00 2.33 C ATOM 1341 CG ARG A 105 -8.750 -4.714 6.602 1.00 21.13 C ATOM 1342 CD ARG A 105 -9.870 -4.377 7.583 1.00 51.04 C ATOM 1343 NE ARG A 105 -9.418 -4.276 8.963 1.00 31.44 N ATOM 1344 CZ ARG A 105 -10.041 -4.805 10.020 1.00 1.25 C ATOM 1345 NH1 ARG A 105 -11.199 -5.437 9.868 1.00 55.25 N ATOM 1346 NH2 ARG A 105 -9.515 -4.662 11.229 1.00 20.43 N ATOM 0 H ARG A 105 -5.853 -1.926 5.702 1.00 52.22 H new ATOM 0 HA ARG A 105 -6.220 -4.852 5.439 1.00 35.31 H new ATOM 0 HB2 ARG A 105 -7.032 -3.834 7.556 1.00 2.33 H new ATOM 0 HB3 ARG A 105 -8.004 -2.694 6.646 1.00 2.33 H new ATOM 0 HG2 ARG A 105 -9.160 -4.757 5.593 1.00 21.13 H new ATOM 0 HG3 ARG A 105 -8.362 -5.707 6.831 1.00 21.13 H new ATOM 0 HD2 ARG A 105 -10.329 -3.433 7.289 1.00 51.04 H new ATOM 0 HD3 ARG A 105 -10.644 -5.142 7.517 1.00 51.04 H new ATOM 0 HE ARG A 105 -8.556 -3.760 9.137 1.00 31.44 H new ATOM 0 HH11 ARG A 105 -11.617 -5.520 8.941 1.00 55.25 H new ATOM 0 HH12 ARG A 105 -11.671 -5.839 10.678 1.00 55.25 H new ATOM 0 HH21 ARG A 105 -8.640 -4.151 11.347 1.00 20.43 H new ATOM 0 HH22 ARG A 105 -9.985 -5.063 12.040 1.00 20.43 H new ATOM 1360 N VAL A 106 -7.859 -4.545 3.446 1.00 52.32 N ATOM 1361 CA VAL A 106 -8.721 -4.270 2.332 1.00 71.44 C ATOM 1362 C VAL A 106 -10.162 -4.294 2.863 1.00 41.10 C ATOM 1363 O VAL A 106 -10.530 -5.203 3.622 1.00 24.43 O ATOM 1364 CB VAL A 106 -8.543 -5.317 1.167 1.00 51.30 C ATOM 1365 CG1 VAL A 106 -9.035 -6.686 1.550 1.00 34.23 C ATOM 1366 CG2 VAL A 106 -9.190 -4.839 -0.121 1.00 14.44 C ATOM 0 H VAL A 106 -7.615 -5.525 3.586 1.00 52.32 H new ATOM 0 HA VAL A 106 -8.471 -3.299 1.905 1.00 71.44 H new ATOM 0 HB VAL A 106 -7.471 -5.402 0.987 1.00 51.30 H new ATOM 0 HG11 VAL A 106 -8.891 -7.371 0.715 1.00 34.23 H new ATOM 0 HG12 VAL A 106 -8.476 -7.045 2.414 1.00 34.23 H new ATOM 0 HG13 VAL A 106 -10.095 -6.635 1.799 1.00 34.23 H new ATOM 0 HG21 VAL A 106 -9.046 -5.588 -0.900 1.00 14.44 H new ATOM 0 HG22 VAL A 106 -10.257 -4.686 0.043 1.00 14.44 H new ATOM 0 HG23 VAL A 106 -8.732 -3.900 -0.431 1.00 14.44 H new ATOM 1376 N ILE A 107 -10.958 -3.297 2.559 1.00 32.23 N ATOM 1377 CA ILE A 107 -12.334 -3.367 3.029 1.00 34.32 C ATOM 1378 C ILE A 107 -13.260 -3.748 1.894 1.00 54.11 C ATOM 1379 O ILE A 107 -14.339 -4.304 2.115 1.00 53.34 O ATOM 1380 CB ILE A 107 -12.863 -2.114 3.837 1.00 72.40 C ATOM 1381 CG1 ILE A 107 -13.129 -0.867 2.980 1.00 2.51 C ATOM 1382 CG2 ILE A 107 -11.862 -1.747 4.921 1.00 11.42 C ATOM 1383 CD1 ILE A 107 -11.924 -0.203 2.441 1.00 34.04 C ATOM 0 H ILE A 107 -10.705 -2.469 2.020 1.00 32.23 H new ATOM 0 HA ILE A 107 -12.333 -4.155 3.782 1.00 34.32 H new ATOM 0 HB ILE A 107 -13.823 -2.420 4.253 1.00 72.40 H new ATOM 0 HG12 ILE A 107 -13.772 -1.150 2.146 1.00 2.51 H new ATOM 0 HG13 ILE A 107 -13.684 -0.146 3.580 1.00 2.51 H new ATOM 0 HG21 ILE A 107 -12.228 -0.884 5.477 1.00 11.42 H new ATOM 0 HG22 ILE A 107 -11.737 -2.590 5.601 1.00 11.42 H new ATOM 0 HG23 ILE A 107 -10.903 -1.504 4.463 1.00 11.42 H new ATOM 0 HD11 ILE A 107 -12.220 0.665 1.851 1.00 34.04 H new ATOM 0 HD12 ILE A 107 -11.286 0.118 3.265 1.00 34.04 H new ATOM 0 HD13 ILE A 107 -11.376 -0.901 1.809 1.00 34.04 H new ATOM 1395 N GLU A 108 -12.820 -3.441 0.687 1.00 74.32 N ATOM 1396 CA GLU A 108 -13.490 -3.837 -0.538 1.00 74.13 C ATOM 1397 C GLU A 108 -12.467 -3.853 -1.680 1.00 52.22 C ATOM 1398 O GLU A 108 -11.571 -3.005 -1.721 1.00 22.21 O ATOM 1399 CB GLU A 108 -14.656 -2.892 -0.870 1.00 11.43 C ATOM 1400 CG GLU A 108 -15.392 -3.263 -2.155 1.00 24.54 C ATOM 1401 CD GLU A 108 -16.568 -2.380 -2.462 1.00 61.30 C ATOM 1402 OE1 GLU A 108 -17.680 -2.689 -2.005 1.00 2.44 O ATOM 1403 OE2 GLU A 108 -16.407 -1.384 -3.195 1.00 4.22 O ATOM 0 H GLU A 108 -11.971 -2.899 0.528 1.00 74.32 H new ATOM 0 HA GLU A 108 -13.911 -4.834 -0.405 1.00 74.13 H new ATOM 0 HB2 GLU A 108 -15.364 -2.896 -0.041 1.00 11.43 H new ATOM 0 HB3 GLU A 108 -14.275 -1.875 -0.959 1.00 11.43 H new ATOM 0 HG2 GLU A 108 -14.691 -3.220 -2.989 1.00 24.54 H new ATOM 0 HG3 GLU A 108 -15.735 -4.295 -2.080 1.00 24.54 H new ATOM 1410 N GLY A 109 -12.580 -4.817 -2.568 1.00 51.11 N ATOM 1411 CA GLY A 109 -11.667 -4.918 -3.691 1.00 72.14 C ATOM 1412 C GLY A 109 -11.868 -6.218 -4.420 1.00 71.10 C ATOM 1413 O GLY A 109 -12.553 -7.105 -3.903 1.00 51.44 O ATOM 0 H GLY A 109 -13.295 -5.544 -2.536 1.00 51.11 H new ATOM 0 HA2 GLY A 109 -11.827 -4.083 -4.373 1.00 72.14 H new ATOM 0 HA3 GLY A 109 -10.638 -4.848 -3.338 1.00 72.14 H new ATOM 1417 N ASP A 110 -11.259 -6.373 -5.601 1.00 62.20 N ATOM 1418 CA ASP A 110 -11.463 -7.604 -6.392 1.00 52.14 C ATOM 1419 C ASP A 110 -10.831 -8.789 -5.698 1.00 13.42 C ATOM 1420 O ASP A 110 -11.282 -9.919 -5.842 1.00 15.12 O ATOM 1421 CB ASP A 110 -10.963 -7.508 -7.862 1.00 12.20 C ATOM 1422 CG ASP A 110 -9.449 -7.512 -8.048 1.00 72.35 C ATOM 1423 OD1 ASP A 110 -8.840 -8.593 -8.042 1.00 40.13 O ATOM 1424 OD2 ASP A 110 -8.861 -6.436 -8.262 1.00 42.43 O ATOM 0 H ASP A 110 -10.637 -5.686 -6.026 1.00 62.20 H new ATOM 0 HA ASP A 110 -12.543 -7.741 -6.453 1.00 52.14 H new ATOM 0 HB2 ASP A 110 -11.382 -8.343 -8.424 1.00 12.20 H new ATOM 0 HB3 ASP A 110 -11.362 -6.595 -8.303 1.00 12.20 H new ATOM 1429 N LEU A 111 -9.803 -8.512 -4.914 1.00 22.40 N ATOM 1430 CA LEU A 111 -9.083 -9.530 -4.163 1.00 52.35 C ATOM 1431 C LEU A 111 -10.015 -10.294 -3.205 1.00 61.20 C ATOM 1432 O LEU A 111 -9.768 -11.439 -2.882 1.00 34.30 O ATOM 1433 CB LEU A 111 -7.923 -8.895 -3.389 1.00 61.31 C ATOM 1434 CG LEU A 111 -6.864 -8.171 -4.238 1.00 62.13 C ATOM 1435 CD1 LEU A 111 -5.800 -7.550 -3.351 1.00 24.32 C ATOM 1436 CD2 LEU A 111 -6.226 -9.124 -5.244 1.00 43.11 C ATOM 0 H LEU A 111 -9.441 -7.568 -4.779 1.00 22.40 H new ATOM 0 HA LEU A 111 -8.683 -10.250 -4.876 1.00 52.35 H new ATOM 0 HB2 LEU A 111 -8.336 -8.183 -2.674 1.00 61.31 H new ATOM 0 HB3 LEU A 111 -7.427 -9.675 -2.812 1.00 61.31 H new ATOM 0 HG LEU A 111 -7.363 -7.375 -4.791 1.00 62.13 H new ATOM 0 HD11 LEU A 111 -5.060 -7.043 -3.971 1.00 24.32 H new ATOM 0 HD12 LEU A 111 -6.263 -6.830 -2.676 1.00 24.32 H new ATOM 0 HD13 LEU A 111 -5.311 -8.331 -2.768 1.00 24.32 H new ATOM 0 HD21 LEU A 111 -5.481 -8.587 -5.832 1.00 43.11 H new ATOM 0 HD22 LEU A 111 -5.746 -9.946 -4.713 1.00 43.11 H new ATOM 0 HD23 LEU A 111 -6.995 -9.521 -5.907 1.00 43.11 H new ATOM 1448 N MET A 112 -11.114 -9.664 -2.800 1.00 42.01 N ATOM 1449 CA MET A 112 -12.080 -10.295 -1.876 1.00 44.42 C ATOM 1450 C MET A 112 -12.889 -11.403 -2.571 1.00 74.23 C ATOM 1451 O MET A 112 -13.659 -12.119 -1.931 1.00 74.14 O ATOM 1452 CB MET A 112 -13.038 -9.264 -1.283 1.00 54.35 C ATOM 1453 CG MET A 112 -12.440 -8.170 -0.360 1.00 52.34 C ATOM 1454 SD MET A 112 -11.988 -8.695 1.347 1.00 21.40 S ATOM 1455 CE MET A 112 -10.573 -9.774 1.135 1.00 61.22 C ATOM 0 H MET A 112 -11.367 -8.719 -3.090 1.00 42.01 H new ATOM 0 HA MET A 112 -11.496 -10.741 -1.071 1.00 44.42 H new ATOM 0 HB2 MET A 112 -13.546 -8.765 -2.108 1.00 54.35 H new ATOM 0 HB3 MET A 112 -13.800 -9.801 -0.717 1.00 54.35 H new ATOM 0 HG2 MET A 112 -11.548 -7.767 -0.841 1.00 52.34 H new ATOM 0 HG3 MET A 112 -13.159 -7.354 -0.287 1.00 52.34 H new ATOM 0 HE1 MET A 112 -10.877 -10.809 1.293 1.00 61.22 H new ATOM 0 HE2 MET A 112 -10.178 -9.662 0.125 1.00 61.22 H new ATOM 0 HE3 MET A 112 -9.801 -9.508 1.858 1.00 61.22 H new ATOM 1465 N LYS A 113 -12.722 -11.530 -3.874 1.00 0.31 N ATOM 1466 CA LYS A 113 -13.417 -12.559 -4.638 1.00 34.32 C ATOM 1467 C LYS A 113 -12.580 -13.831 -4.691 1.00 22.33 C ATOM 1468 O LYS A 113 -13.062 -14.892 -5.092 1.00 45.33 O ATOM 1469 CB LYS A 113 -13.688 -12.074 -6.064 1.00 1.34 C ATOM 1470 CG LYS A 113 -14.545 -10.821 -6.161 1.00 62.24 C ATOM 1471 CD LYS A 113 -15.933 -11.045 -5.589 1.00 32.42 C ATOM 1472 CE LYS A 113 -16.797 -9.805 -5.734 1.00 2.43 C ATOM 1473 NZ LYS A 113 -16.958 -9.403 -7.153 1.00 34.14 N ATOM 0 H LYS A 113 -12.110 -10.933 -4.430 1.00 0.31 H new ATOM 0 HA LYS A 113 -14.365 -12.769 -4.144 1.00 34.32 H new ATOM 0 HB2 LYS A 113 -12.734 -11.883 -6.555 1.00 1.34 H new ATOM 0 HB3 LYS A 113 -14.177 -12.875 -6.618 1.00 1.34 H new ATOM 0 HG2 LYS A 113 -14.058 -10.005 -5.627 1.00 62.24 H new ATOM 0 HG3 LYS A 113 -14.626 -10.515 -7.204 1.00 62.24 H new ATOM 0 HD2 LYS A 113 -16.408 -11.883 -6.099 1.00 32.42 H new ATOM 0 HD3 LYS A 113 -15.855 -11.315 -4.536 1.00 32.42 H new ATOM 0 HE2 LYS A 113 -17.778 -9.993 -5.297 1.00 2.43 H new ATOM 0 HE3 LYS A 113 -16.350 -8.984 -5.173 1.00 2.43 H new ATOM 0 HZ1 LYS A 113 -17.753 -8.738 -7.237 1.00 34.14 H new ATOM 0 HZ2 LYS A 113 -16.086 -8.944 -7.485 1.00 34.14 H new ATOM 0 HZ3 LYS A 113 -17.149 -10.245 -7.733 1.00 34.14 H new ATOM 1487 N GLU A 114 -11.342 -13.715 -4.290 1.00 42.30 N ATOM 1488 CA GLU A 114 -10.404 -14.816 -4.338 1.00 74.52 C ATOM 1489 C GLU A 114 -9.897 -15.131 -2.928 1.00 12.33 C ATOM 1490 O GLU A 114 -9.641 -16.294 -2.569 1.00 71.51 O ATOM 1491 CB GLU A 114 -9.243 -14.443 -5.277 1.00 74.42 C ATOM 1492 CG GLU A 114 -9.709 -14.117 -6.696 1.00 41.35 C ATOM 1493 CD GLU A 114 -8.603 -13.690 -7.634 1.00 54.43 C ATOM 1494 OE1 GLU A 114 -8.317 -12.488 -7.716 1.00 41.53 O ATOM 1495 OE2 GLU A 114 -8.036 -14.549 -8.341 1.00 3.52 O ATOM 0 H GLU A 114 -10.949 -12.851 -3.918 1.00 42.30 H new ATOM 0 HA GLU A 114 -10.894 -15.710 -4.724 1.00 74.52 H new ATOM 0 HB2 GLU A 114 -8.712 -13.583 -4.867 1.00 74.42 H new ATOM 0 HB3 GLU A 114 -8.532 -15.268 -5.314 1.00 74.42 H new ATOM 0 HG2 GLU A 114 -10.204 -14.994 -7.113 1.00 41.35 H new ATOM 0 HG3 GLU A 114 -10.454 -13.323 -6.647 1.00 41.35 H new ATOM 1502 N TYR A 115 -9.778 -14.097 -2.130 1.00 42.34 N ATOM 1503 CA TYR A 115 -9.332 -14.204 -0.768 1.00 3.33 C ATOM 1504 C TYR A 115 -10.435 -13.629 0.084 1.00 23.54 C ATOM 1505 O TYR A 115 -10.952 -12.579 -0.227 1.00 43.01 O ATOM 1506 CB TYR A 115 -8.048 -13.370 -0.573 1.00 75.11 C ATOM 1507 CG TYR A 115 -7.041 -13.581 -1.679 1.00 62.35 C ATOM 1508 CD1 TYR A 115 -6.149 -14.636 -1.666 1.00 2.50 C ATOM 1509 CD2 TYR A 115 -7.024 -12.723 -2.765 1.00 53.04 C ATOM 1510 CE1 TYR A 115 -5.273 -14.823 -2.715 1.00 23.50 C ATOM 1511 CE2 TYR A 115 -6.158 -12.897 -3.800 1.00 51.53 C ATOM 1512 CZ TYR A 115 -5.291 -13.943 -3.779 1.00 13.11 C ATOM 1513 OH TYR A 115 -4.450 -14.126 -4.827 1.00 30.21 O ATOM 0 H TYR A 115 -9.993 -13.142 -2.417 1.00 42.34 H new ATOM 0 HA TYR A 115 -9.114 -15.238 -0.502 1.00 3.33 H new ATOM 0 HB2 TYR A 115 -8.310 -12.313 -0.523 1.00 75.11 H new ATOM 0 HB3 TYR A 115 -7.592 -13.631 0.382 1.00 75.11 H new ATOM 0 HD1 TYR A 115 -6.138 -15.319 -0.829 1.00 2.50 H new ATOM 0 HD2 TYR A 115 -7.716 -11.894 -2.792 1.00 53.04 H new ATOM 0 HE1 TYR A 115 -4.579 -15.650 -2.704 1.00 23.50 H new ATOM 0 HE2 TYR A 115 -6.160 -12.209 -4.632 1.00 51.53 H new ATOM 0 HH TYR A 115 -4.204 -13.256 -5.205 1.00 30.21 H new ATOM 1523 N LYS A 116 -10.795 -14.298 1.134 1.00 51.31 N ATOM 1524 CA LYS A 116 -11.904 -13.837 1.981 1.00 1.41 C ATOM 1525 C LYS A 116 -11.471 -12.776 2.987 1.00 42.51 C ATOM 1526 O LYS A 116 -12.301 -12.142 3.644 1.00 53.11 O ATOM 1527 CB LYS A 116 -12.597 -15.012 2.649 1.00 5.21 C ATOM 1528 CG LYS A 116 -11.649 -15.987 3.311 1.00 11.53 C ATOM 1529 CD LYS A 116 -12.390 -17.154 3.927 1.00 63.53 C ATOM 1530 CE LYS A 116 -13.248 -16.713 5.106 1.00 3.14 C ATOM 1531 NZ LYS A 116 -13.922 -17.848 5.763 1.00 52.01 N ATOM 0 H LYS A 116 -10.354 -15.164 1.443 1.00 51.31 H new ATOM 0 HA LYS A 116 -12.629 -13.349 1.329 1.00 1.41 H new ATOM 0 HB2 LYS A 116 -13.294 -14.633 3.397 1.00 5.21 H new ATOM 0 HB3 LYS A 116 -13.188 -15.544 1.904 1.00 5.21 H new ATOM 0 HG2 LYS A 116 -10.934 -16.356 2.576 1.00 11.53 H new ATOM 0 HG3 LYS A 116 -11.076 -15.472 4.082 1.00 11.53 H new ATOM 0 HD2 LYS A 116 -13.021 -17.624 3.173 1.00 63.53 H new ATOM 0 HD3 LYS A 116 -11.674 -17.906 4.258 1.00 63.53 H new ATOM 0 HE2 LYS A 116 -12.623 -16.194 5.833 1.00 3.14 H new ATOM 0 HE3 LYS A 116 -13.996 -15.999 4.761 1.00 3.14 H new ATOM 0 HZ1 LYS A 116 -14.494 -17.499 6.559 1.00 52.01 H new ATOM 0 HZ2 LYS A 116 -14.539 -18.329 5.078 1.00 52.01 H new ATOM 0 HZ3 LYS A 116 -13.209 -18.518 6.117 1.00 52.01 H new ATOM 1545 N SER A 117 -10.191 -12.593 3.093 1.00 33.55 N ATOM 1546 CA SER A 117 -9.612 -11.582 3.923 1.00 70.32 C ATOM 1547 C SER A 117 -8.262 -11.265 3.351 1.00 33.25 C ATOM 1548 O SER A 117 -7.625 -12.155 2.788 1.00 44.02 O ATOM 1549 CB SER A 117 -9.495 -12.084 5.352 1.00 73.13 C ATOM 1550 OG SER A 117 -8.926 -11.106 6.217 1.00 32.23 O ATOM 0 H SER A 117 -9.503 -13.156 2.593 1.00 33.55 H new ATOM 0 HA SER A 117 -10.233 -10.686 3.946 1.00 70.32 H new ATOM 0 HB2 SER A 117 -10.482 -12.363 5.720 1.00 73.13 H new ATOM 0 HB3 SER A 117 -8.882 -12.985 5.371 1.00 73.13 H new ATOM 0 HG SER A 117 -8.870 -11.467 7.126 1.00 32.23 H new ATOM 1556 N PHE A 118 -7.851 -10.015 3.430 1.00 45.44 N ATOM 1557 CA PHE A 118 -6.571 -9.601 2.925 1.00 13.40 C ATOM 1558 C PHE A 118 -6.044 -8.463 3.781 1.00 73.01 C ATOM 1559 O PHE A 118 -6.615 -7.362 3.807 1.00 72.41 O ATOM 1560 CB PHE A 118 -6.678 -9.191 1.442 1.00 13.31 C ATOM 1561 CG PHE A 118 -5.386 -8.805 0.802 1.00 25.02 C ATOM 1562 CD1 PHE A 118 -4.460 -9.765 0.470 1.00 11.00 C ATOM 1563 CD2 PHE A 118 -5.103 -7.480 0.523 1.00 24.24 C ATOM 1564 CE1 PHE A 118 -3.273 -9.419 -0.122 1.00 41.21 C ATOM 1565 CE2 PHE A 118 -3.915 -7.128 -0.074 1.00 13.43 C ATOM 1566 CZ PHE A 118 -2.997 -8.097 -0.397 1.00 23.41 C ATOM 0 H PHE A 118 -8.400 -9.263 3.847 1.00 45.44 H new ATOM 0 HA PHE A 118 -5.869 -10.433 2.978 1.00 13.40 H new ATOM 0 HB2 PHE A 118 -7.111 -10.019 0.881 1.00 13.31 H new ATOM 0 HB3 PHE A 118 -7.371 -8.354 1.361 1.00 13.31 H new ATOM 0 HD1 PHE A 118 -4.670 -10.804 0.678 1.00 11.00 H new ATOM 0 HD2 PHE A 118 -5.822 -6.715 0.776 1.00 24.24 H new ATOM 0 HE1 PHE A 118 -2.553 -10.184 -0.373 1.00 41.21 H new ATOM 0 HE2 PHE A 118 -3.704 -6.091 -0.289 1.00 13.43 H new ATOM 0 HZ PHE A 118 -2.063 -7.824 -0.865 1.00 23.41 H new ATOM 1576 N LEU A 119 -5.005 -8.750 4.498 1.00 61.14 N ATOM 1577 CA LEU A 119 -4.371 -7.821 5.386 1.00 60.41 C ATOM 1578 C LEU A 119 -2.885 -7.840 5.084 1.00 63.34 C ATOM 1579 O LEU A 119 -2.303 -8.908 4.926 1.00 24.44 O ATOM 1580 CB LEU A 119 -4.617 -8.270 6.831 1.00 14.23 C ATOM 1581 CG LEU A 119 -4.052 -7.383 7.939 1.00 13.13 C ATOM 1582 CD1 LEU A 119 -4.715 -6.019 7.934 1.00 72.23 C ATOM 1583 CD2 LEU A 119 -4.221 -8.052 9.282 1.00 74.21 C ATOM 0 H LEU A 119 -4.558 -9.667 4.483 1.00 61.14 H new ATOM 0 HA LEU A 119 -4.769 -6.815 5.255 1.00 60.41 H new ATOM 0 HB2 LEU A 119 -5.693 -8.355 6.981 1.00 14.23 H new ATOM 0 HB3 LEU A 119 -4.199 -9.269 6.951 1.00 14.23 H new ATOM 0 HG LEU A 119 -2.988 -7.239 7.753 1.00 13.13 H new ATOM 0 HD11 LEU A 119 -4.295 -5.407 8.732 1.00 72.23 H new ATOM 0 HD12 LEU A 119 -4.540 -5.533 6.974 1.00 72.23 H new ATOM 0 HD13 LEU A 119 -5.787 -6.135 8.092 1.00 72.23 H new ATOM 0 HD21 LEU A 119 -3.814 -7.409 10.063 1.00 74.21 H new ATOM 0 HD22 LEU A 119 -5.280 -8.226 9.471 1.00 74.21 H new ATOM 0 HD23 LEU A 119 -3.691 -9.004 9.283 1.00 74.21 H new ATOM 1595 N LEU A 120 -2.283 -6.699 4.972 1.00 4.14 N ATOM 1596 CA LEU A 120 -0.876 -6.648 4.669 1.00 43.03 C ATOM 1597 C LEU A 120 -0.185 -5.530 5.411 1.00 13.30 C ATOM 1598 O LEU A 120 -0.571 -4.372 5.317 1.00 53.41 O ATOM 1599 CB LEU A 120 -0.588 -6.569 3.138 1.00 52.50 C ATOM 1600 CG LEU A 120 -1.084 -5.332 2.347 1.00 22.31 C ATOM 1601 CD1 LEU A 120 -0.586 -5.402 0.924 1.00 72.22 C ATOM 1602 CD2 LEU A 120 -2.601 -5.238 2.334 1.00 2.32 C ATOM 0 H LEU A 120 -2.734 -5.791 5.084 1.00 4.14 H new ATOM 0 HA LEU A 120 -0.458 -7.592 5.018 1.00 43.03 H new ATOM 0 HB2 LEU A 120 0.491 -6.637 3.001 1.00 52.50 H new ATOM 0 HB3 LEU A 120 -1.024 -7.454 2.674 1.00 52.50 H new ATOM 0 HG LEU A 120 -0.690 -4.446 2.846 1.00 22.31 H new ATOM 0 HD11 LEU A 120 -0.937 -4.530 0.372 1.00 72.22 H new ATOM 0 HD12 LEU A 120 0.504 -5.419 0.920 1.00 72.22 H new ATOM 0 HD13 LEU A 120 -0.964 -6.308 0.450 1.00 72.22 H new ATOM 0 HD21 LEU A 120 -2.906 -4.357 1.769 1.00 2.32 H new ATOM 0 HD22 LEU A 120 -3.017 -6.131 1.867 1.00 2.32 H new ATOM 0 HD23 LEU A 120 -2.969 -5.159 3.357 1.00 2.32 H new ATOM 1614 N THR A 121 0.815 -5.879 6.151 1.00 71.53 N ATOM 1615 CA THR A 121 1.585 -4.917 6.868 1.00 61.13 C ATOM 1616 C THR A 121 2.946 -4.799 6.227 1.00 24.33 C ATOM 1617 O THR A 121 3.655 -5.805 6.065 1.00 41.12 O ATOM 1618 CB THR A 121 1.744 -5.305 8.342 1.00 34.20 C ATOM 1619 OG1 THR A 121 0.454 -5.450 8.945 1.00 30.33 O ATOM 1620 CG2 THR A 121 2.512 -4.233 9.077 1.00 44.31 C ATOM 0 H THR A 121 1.122 -6.844 6.276 1.00 71.53 H new ATOM 0 HA THR A 121 1.062 -3.962 6.830 1.00 61.13 H new ATOM 0 HB THR A 121 2.287 -6.248 8.401 1.00 34.20 H new ATOM 0 HG1 THR A 121 0.277 -4.682 9.528 1.00 30.33 H new ATOM 0 HG21 THR A 121 2.621 -4.516 10.124 1.00 44.31 H new ATOM 0 HG22 THR A 121 3.498 -4.119 8.628 1.00 44.31 H new ATOM 0 HG23 THR A 121 1.972 -3.288 9.011 1.00 44.31 H new ATOM 1628 N ILE A 122 3.317 -3.608 5.852 1.00 73.25 N ATOM 1629 CA ILE A 122 4.581 -3.414 5.221 1.00 74.20 C ATOM 1630 C ILE A 122 5.442 -2.506 6.072 1.00 51.21 C ATOM 1631 O ILE A 122 4.929 -1.601 6.757 1.00 33.13 O ATOM 1632 CB ILE A 122 4.456 -2.831 3.776 1.00 44.02 C ATOM 1633 CG1 ILE A 122 4.000 -1.392 3.784 1.00 40.54 C ATOM 1634 CG2 ILE A 122 3.440 -3.635 2.998 1.00 41.21 C ATOM 1635 CD1 ILE A 122 3.998 -0.737 2.410 1.00 24.12 C ATOM 0 H ILE A 122 2.761 -2.762 5.974 1.00 73.25 H new ATOM 0 HA ILE A 122 5.047 -4.395 5.127 1.00 74.20 H new ATOM 0 HB ILE A 122 5.444 -2.884 3.318 1.00 44.02 H new ATOM 0 HG12 ILE A 122 2.994 -1.342 4.201 1.00 40.54 H new ATOM 0 HG13 ILE A 122 4.648 -0.820 4.447 1.00 40.54 H new ATOM 0 HG21 ILE A 122 3.351 -3.231 1.990 1.00 41.21 H new ATOM 0 HG22 ILE A 122 3.763 -4.675 2.945 1.00 41.21 H new ATOM 0 HG23 ILE A 122 2.473 -3.580 3.498 1.00 41.21 H new ATOM 0 HD11 ILE A 122 3.658 0.295 2.499 1.00 24.12 H new ATOM 0 HD12 ILE A 122 5.007 -0.753 1.998 1.00 24.12 H new ATOM 0 HD13 ILE A 122 3.327 -1.284 1.747 1.00 24.12 H new ATOM 1647 N GLN A 123 6.716 -2.764 6.077 1.00 43.34 N ATOM 1648 CA GLN A 123 7.641 -1.933 6.785 1.00 72.32 C ATOM 1649 C GLN A 123 8.897 -1.832 5.962 1.00 40.13 C ATOM 1650 O GLN A 123 9.372 -2.837 5.407 1.00 24.32 O ATOM 1651 CB GLN A 123 7.908 -2.471 8.196 1.00 33.35 C ATOM 1652 CG GLN A 123 8.682 -1.506 9.081 1.00 13.42 C ATOM 1653 CD GLN A 123 8.700 -1.918 10.533 1.00 32.12 C ATOM 1654 OE1 GLN A 123 8.662 -3.109 10.866 1.00 73.51 O ATOM 1655 NE2 GLN A 123 8.731 -0.941 11.415 1.00 71.33 N ATOM 0 H GLN A 123 7.141 -3.554 5.592 1.00 43.34 H new ATOM 0 HA GLN A 123 7.223 -0.936 6.925 1.00 72.32 H new ATOM 0 HB2 GLN A 123 6.956 -2.704 8.673 1.00 33.35 H new ATOM 0 HB3 GLN A 123 8.463 -3.406 8.120 1.00 33.35 H new ATOM 0 HG2 GLN A 123 9.707 -1.432 8.718 1.00 13.42 H new ATOM 0 HG3 GLN A 123 8.242 -0.512 8.997 1.00 13.42 H new ATOM 0 HE21 GLN A 123 8.762 0.029 11.101 1.00 71.33 H new ATOM 0 HE22 GLN A 123 8.724 -1.154 12.412 1.00 71.33 H new ATOM 1664 N VAL A 124 9.412 -0.643 5.841 1.00 60.54 N ATOM 1665 CA VAL A 124 10.537 -0.399 4.975 1.00 1.42 C ATOM 1666 C VAL A 124 11.813 -0.259 5.802 1.00 45.01 C ATOM 1667 O VAL A 124 11.824 0.458 6.805 1.00 44.20 O ATOM 1668 CB VAL A 124 10.319 0.894 4.141 1.00 32.25 C ATOM 1669 CG1 VAL A 124 11.354 1.032 3.053 1.00 72.55 C ATOM 1670 CG2 VAL A 124 8.907 0.970 3.568 1.00 20.02 C ATOM 0 H VAL A 124 9.070 0.182 6.334 1.00 60.54 H new ATOM 0 HA VAL A 124 10.633 -1.245 4.295 1.00 1.42 H new ATOM 0 HB VAL A 124 10.439 1.735 4.824 1.00 32.25 H new ATOM 0 HG11 VAL A 124 11.170 1.947 2.490 1.00 72.55 H new ATOM 0 HG12 VAL A 124 12.348 1.073 3.499 1.00 72.55 H new ATOM 0 HG13 VAL A 124 11.293 0.175 2.382 1.00 72.55 H new ATOM 0 HG21 VAL A 124 8.797 1.889 2.992 1.00 20.02 H new ATOM 0 HG22 VAL A 124 8.731 0.112 2.919 1.00 20.02 H new ATOM 0 HG23 VAL A 124 8.183 0.964 4.383 1.00 20.02 H new ATOM 1680 N THR A 125 12.860 -0.947 5.393 1.00 13.21 N ATOM 1681 CA THR A 125 14.149 -0.887 6.058 1.00 21.11 C ATOM 1682 C THR A 125 15.227 -0.632 4.963 1.00 15.35 C ATOM 1683 O THR A 125 15.033 -1.033 3.830 1.00 34.22 O ATOM 1684 CB THR A 125 14.436 -2.237 6.830 1.00 33.13 C ATOM 1685 OG1 THR A 125 15.578 -2.098 7.691 1.00 45.21 O ATOM 1686 CG2 THR A 125 14.723 -3.369 5.859 1.00 74.51 C ATOM 0 H THR A 125 12.842 -1.568 4.584 1.00 13.21 H new ATOM 0 HA THR A 125 14.165 -0.085 6.796 1.00 21.11 H new ATOM 0 HB THR A 125 13.546 -2.465 7.416 1.00 33.13 H new ATOM 0 HG1 THR A 125 15.738 -2.943 8.161 1.00 45.21 H new ATOM 0 HG21 THR A 125 14.917 -4.286 6.416 1.00 74.51 H new ATOM 0 HG22 THR A 125 13.862 -3.516 5.207 1.00 74.51 H new ATOM 0 HG23 THR A 125 15.596 -3.119 5.256 1.00 74.51 H new ATOM 1694 N PRO A 126 16.341 0.052 5.283 1.00 22.44 N ATOM 1695 CA PRO A 126 17.431 0.383 4.303 1.00 12.24 C ATOM 1696 C PRO A 126 18.024 -0.858 3.581 1.00 43.14 C ATOM 1697 O PRO A 126 17.910 -1.991 4.066 1.00 31.22 O ATOM 1698 CB PRO A 126 18.506 0.997 5.214 1.00 51.13 C ATOM 1699 CG PRO A 126 18.147 0.488 6.569 1.00 23.12 C ATOM 1700 CD PRO A 126 16.672 0.561 6.610 1.00 73.33 C ATOM 0 HA PRO A 126 17.064 1.022 3.499 1.00 12.24 H new ATOM 0 HB2 PRO A 126 19.508 0.684 4.920 1.00 51.13 H new ATOM 0 HB3 PRO A 126 18.489 2.086 5.177 1.00 51.13 H new ATOM 0 HG2 PRO A 126 18.499 -0.533 6.716 1.00 23.12 H new ATOM 0 HG3 PRO A 126 18.597 1.096 7.354 1.00 23.12 H new ATOM 0 HD2 PRO A 126 16.249 -0.052 7.406 1.00 73.33 H new ATOM 0 HD3 PRO A 126 16.312 1.578 6.765 1.00 73.33 H new ATOM 1708 N LYS A 127 18.658 -0.640 2.428 1.00 53.43 N ATOM 1709 CA LYS A 127 19.307 -1.734 1.708 1.00 43.31 C ATOM 1710 C LYS A 127 20.691 -1.989 2.288 1.00 31.24 C ATOM 1711 O LYS A 127 21.366 -1.049 2.707 1.00 2.15 O ATOM 1712 CB LYS A 127 19.392 -1.479 0.183 1.00 24.21 C ATOM 1713 CG LYS A 127 18.036 -1.405 -0.492 1.00 33.45 C ATOM 1714 CD LYS A 127 18.104 -1.202 -2.005 1.00 63.53 C ATOM 1715 CE LYS A 127 18.773 -2.371 -2.726 1.00 73.23 C ATOM 1716 NZ LYS A 127 18.810 -2.176 -4.200 1.00 34.30 N ATOM 0 H LYS A 127 18.735 0.272 1.978 1.00 53.43 H new ATOM 0 HA LYS A 127 18.688 -2.621 1.840 1.00 43.31 H new ATOM 0 HB2 LYS A 127 19.928 -0.546 0.007 1.00 24.21 H new ATOM 0 HB3 LYS A 127 19.977 -2.275 -0.279 1.00 24.21 H new ATOM 0 HG2 LYS A 127 17.487 -2.324 -0.283 1.00 33.45 H new ATOM 0 HG3 LYS A 127 17.467 -0.587 -0.051 1.00 33.45 H new ATOM 0 HD2 LYS A 127 17.095 -1.069 -2.396 1.00 63.53 H new ATOM 0 HD3 LYS A 127 18.653 -0.285 -2.220 1.00 63.53 H new ATOM 0 HE2 LYS A 127 19.790 -2.492 -2.352 1.00 73.23 H new ATOM 0 HE3 LYS A 127 18.237 -3.292 -2.497 1.00 73.23 H new ATOM 0 HZ1 LYS A 127 19.403 -2.913 -4.633 1.00 34.30 H new ATOM 0 HZ2 LYS A 127 17.845 -2.239 -4.583 1.00 34.30 H new ATOM 0 HZ3 LYS A 127 19.208 -1.240 -4.416 1.00 34.30 H new ATOM 1772 N GLY A 132 19.005 2.915 -0.878 1.00 21.11 N ATOM 1773 CA GLY A 132 17.646 2.533 -1.112 1.00 41.34 C ATOM 1774 C GLY A 132 17.115 1.795 0.068 1.00 74.10 C ATOM 1775 O GLY A 132 17.725 1.837 1.148 1.00 51.44 O ATOM 0 HA2 GLY A 132 17.038 3.418 -1.302 1.00 41.34 H new ATOM 0 HA3 GLY A 132 17.584 1.906 -2.002 1.00 41.34 H new ATOM 1779 N SER A 133 16.015 1.109 -0.092 1.00 73.53 N ATOM 1780 CA SER A 133 15.431 0.364 0.999 1.00 53.14 C ATOM 1781 C SER A 133 14.631 -0.863 0.522 1.00 4.35 C ATOM 1782 O SER A 133 14.150 -0.904 -0.601 1.00 24.12 O ATOM 1783 CB SER A 133 14.562 1.287 1.856 1.00 32.45 C ATOM 1784 OG SER A 133 15.353 2.319 2.446 1.00 1.41 O ATOM 0 H SER A 133 15.501 1.049 -0.971 1.00 73.53 H new ATOM 0 HA SER A 133 16.250 -0.023 1.605 1.00 53.14 H new ATOM 0 HB2 SER A 133 13.777 1.729 1.242 1.00 32.45 H new ATOM 0 HB3 SER A 133 14.068 0.709 2.637 1.00 32.45 H new ATOM 0 HG SER A 133 16.292 2.197 2.192 1.00 1.41 H new ATOM 1790 N ILE A 134 14.552 -1.857 1.378 1.00 0.32 N ATOM 1791 CA ILE A 134 13.739 -3.029 1.170 1.00 25.14 C ATOM 1792 C ILE A 134 12.472 -2.886 1.975 1.00 12.50 C ATOM 1793 O ILE A 134 12.509 -2.661 3.196 1.00 2.15 O ATOM 1794 CB ILE A 134 14.469 -4.405 1.550 1.00 53.25 C ATOM 1795 CG1 ILE A 134 15.158 -5.058 0.361 1.00 53.01 C ATOM 1796 CG2 ILE A 134 13.548 -5.413 2.194 1.00 51.51 C ATOM 1797 CD1 ILE A 134 16.237 -4.269 -0.226 1.00 42.22 C ATOM 0 H ILE A 134 15.065 -1.871 2.259 1.00 0.32 H new ATOM 0 HA ILE A 134 13.530 -3.087 0.102 1.00 25.14 H new ATOM 0 HB ILE A 134 15.224 -4.111 2.279 1.00 53.25 H new ATOM 0 HG12 ILE A 134 15.560 -6.021 0.675 1.00 53.01 H new ATOM 0 HG13 ILE A 134 14.413 -5.259 -0.409 1.00 53.01 H new ATOM 0 HG21 ILE A 134 14.106 -6.320 2.425 1.00 51.51 H new ATOM 0 HG22 ILE A 134 13.137 -4.995 3.113 1.00 51.51 H new ATOM 0 HG23 ILE A 134 12.734 -5.652 1.509 1.00 51.51 H new ATOM 0 HD11 ILE A 134 16.669 -4.812 -1.066 1.00 42.22 H new ATOM 0 HD12 ILE A 134 15.842 -3.315 -0.575 1.00 42.22 H new ATOM 0 HD13 ILE A 134 17.007 -4.090 0.525 1.00 42.22 H new ATOM 1809 N VAL A 135 11.378 -2.969 1.323 1.00 43.42 N ATOM 1810 CA VAL A 135 10.137 -2.971 1.994 1.00 35.13 C ATOM 1811 C VAL A 135 9.657 -4.400 2.148 1.00 25.22 C ATOM 1812 O VAL A 135 9.590 -5.157 1.169 1.00 44.02 O ATOM 1813 CB VAL A 135 9.075 -2.046 1.308 1.00 75.21 C ATOM 1814 CG1 VAL A 135 8.915 -2.363 -0.161 1.00 20.31 C ATOM 1815 CG2 VAL A 135 7.731 -2.133 2.023 1.00 14.41 C ATOM 0 H VAL A 135 11.316 -3.038 0.307 1.00 43.42 H new ATOM 0 HA VAL A 135 10.278 -2.542 2.986 1.00 35.13 H new ATOM 0 HB VAL A 135 9.444 -1.023 1.386 1.00 75.21 H new ATOM 0 HG11 VAL A 135 8.169 -1.698 -0.598 1.00 20.31 H new ATOM 0 HG12 VAL A 135 9.869 -2.222 -0.670 1.00 20.31 H new ATOM 0 HG13 VAL A 135 8.591 -3.397 -0.277 1.00 20.31 H new ATOM 0 HG21 VAL A 135 7.012 -1.481 1.527 1.00 14.41 H new ATOM 0 HG22 VAL A 135 7.369 -3.161 1.994 1.00 14.41 H new ATOM 0 HG23 VAL A 135 7.850 -1.819 3.060 1.00 14.41 H new ATOM 1825 N HIS A 136 9.391 -4.786 3.372 1.00 2.41 N ATOM 1826 CA HIS A 136 8.892 -6.111 3.639 1.00 45.01 C ATOM 1827 C HIS A 136 7.426 -6.091 3.573 1.00 34.44 C ATOM 1828 O HIS A 136 6.771 -5.465 4.412 1.00 21.23 O ATOM 1829 CB HIS A 136 9.299 -6.647 5.018 1.00 21.21 C ATOM 1830 CG HIS A 136 10.728 -7.016 5.178 1.00 4.13 C ATOM 1831 ND1 HIS A 136 11.162 -8.325 5.230 1.00 71.23 N ATOM 1832 CD2 HIS A 136 11.824 -6.253 5.348 1.00 53.53 C ATOM 1833 CE1 HIS A 136 12.455 -8.343 5.427 1.00 62.12 C ATOM 1834 NE2 HIS A 136 12.885 -7.100 5.502 1.00 65.25 N ATOM 0 H HIS A 136 9.512 -4.201 4.199 1.00 2.41 H new ATOM 0 HA HIS A 136 9.328 -6.768 2.887 1.00 45.01 H new ATOM 0 HB2 HIS A 136 9.053 -5.893 5.766 1.00 21.21 H new ATOM 0 HB3 HIS A 136 8.691 -7.524 5.238 1.00 21.21 H new ATOM 0 HD1 HIS A 136 10.568 -9.148 5.131 1.00 71.23 H new ATOM 0 HD2 HIS A 136 11.858 -5.174 5.360 1.00 53.53 H new ATOM 0 HE1 HIS A 136 13.067 -9.228 5.514 1.00 62.12 H new ATOM 1843 N TRP A 137 6.904 -6.725 2.591 1.00 74.20 N ATOM 1844 CA TRP A 137 5.512 -6.845 2.486 1.00 43.11 C ATOM 1845 C TRP A 137 5.118 -8.106 3.162 1.00 11.44 C ATOM 1846 O TRP A 137 5.527 -9.176 2.750 1.00 1.32 O ATOM 1847 CB TRP A 137 5.101 -6.913 1.026 1.00 30.02 C ATOM 1848 CG TRP A 137 5.319 -5.663 0.255 1.00 15.41 C ATOM 1849 CD1 TRP A 137 6.496 -5.147 -0.195 1.00 70.34 C ATOM 1850 CD2 TRP A 137 4.305 -4.787 -0.179 1.00 23.32 C ATOM 1851 NE1 TRP A 137 6.256 -3.976 -0.868 1.00 24.11 N ATOM 1852 CE2 TRP A 137 4.919 -3.737 -0.869 1.00 71.11 C ATOM 1853 CE3 TRP A 137 2.925 -4.794 -0.041 1.00 71.24 C ATOM 1854 CZ2 TRP A 137 4.200 -2.696 -1.419 1.00 51.22 C ATOM 1855 CZ3 TRP A 137 2.204 -3.770 -0.581 1.00 61.12 C ATOM 1856 CH2 TRP A 137 2.834 -2.727 -1.265 1.00 44.45 C ATOM 0 H TRP A 137 7.434 -7.172 1.843 1.00 74.20 H new ATOM 0 HA TRP A 137 5.025 -5.984 2.945 1.00 43.11 H new ATOM 0 HB2 TRP A 137 5.654 -7.720 0.545 1.00 30.02 H new ATOM 0 HB3 TRP A 137 4.044 -7.175 0.973 1.00 30.02 H new ATOM 0 HD1 TRP A 137 7.469 -5.591 -0.045 1.00 70.34 H new ATOM 0 HE1 TRP A 137 6.965 -3.382 -1.297 1.00 24.11 H new ATOM 0 HE3 TRP A 137 2.430 -5.597 0.485 1.00 71.24 H new ATOM 0 HZ2 TRP A 137 4.689 -1.891 -1.948 1.00 51.22 H new ATOM 0 HZ3 TRP A 137 1.129 -3.765 -0.478 1.00 61.12 H new ATOM 0 HH2 TRP A 137 2.236 -1.929 -1.681 1.00 44.45 H new ATOM 1867 N HIS A 138 4.317 -7.996 4.160 1.00 22.32 N ATOM 1868 CA HIS A 138 3.864 -9.136 4.874 1.00 64.43 C ATOM 1869 C HIS A 138 2.381 -9.224 4.663 1.00 71.44 C ATOM 1870 O HIS A 138 1.630 -8.403 5.172 1.00 34.35 O ATOM 1871 CB HIS A 138 4.232 -8.962 6.362 1.00 55.13 C ATOM 1872 CG HIS A 138 3.806 -10.053 7.274 1.00 40.11 C ATOM 1873 ND1 HIS A 138 4.618 -11.101 7.640 1.00 73.12 N ATOM 1874 CD2 HIS A 138 2.658 -10.222 7.934 1.00 62.43 C ATOM 1875 CE1 HIS A 138 3.973 -11.868 8.493 1.00 11.22 C ATOM 1876 NE2 HIS A 138 2.781 -11.356 8.686 1.00 21.52 N ATOM 0 H HIS A 138 3.955 -7.108 4.507 1.00 22.32 H new ATOM 0 HA HIS A 138 4.328 -10.060 4.528 1.00 64.43 H new ATOM 0 HB2 HIS A 138 5.314 -8.855 6.437 1.00 55.13 H new ATOM 0 HB3 HIS A 138 3.794 -8.029 6.716 1.00 55.13 H new ATOM 0 HD2 HIS A 138 1.791 -9.580 7.883 1.00 62.43 H new ATOM 0 HE1 HIS A 138 4.359 -12.765 8.955 1.00 11.22 H new ATOM 0 HE2 HIS A 138 2.062 -11.742 9.298 1.00 21.52 H new ATOM 1885 N LEU A 139 1.973 -10.211 3.927 1.00 70.51 N ATOM 1886 CA LEU A 139 0.603 -10.345 3.540 1.00 3.34 C ATOM 1887 C LEU A 139 -0.005 -11.535 4.209 1.00 71.12 C ATOM 1888 O LEU A 139 0.613 -12.608 4.276 1.00 63.31 O ATOM 1889 CB LEU A 139 0.446 -10.509 2.003 1.00 54.45 C ATOM 1890 CG LEU A 139 1.048 -9.426 1.074 1.00 43.01 C ATOM 1891 CD1 LEU A 139 2.563 -9.500 1.008 1.00 72.33 C ATOM 1892 CD2 LEU A 139 0.459 -9.526 -0.305 1.00 3.42 C ATOM 0 H LEU A 139 2.583 -10.949 3.576 1.00 70.51 H new ATOM 0 HA LEU A 139 0.094 -9.431 3.846 1.00 3.34 H new ATOM 0 HB2 LEU A 139 0.889 -11.466 1.726 1.00 54.45 H new ATOM 0 HB3 LEU A 139 -0.620 -10.576 1.785 1.00 54.45 H new ATOM 0 HG LEU A 139 0.790 -8.458 1.503 1.00 43.01 H new ATOM 0 HD11 LEU A 139 2.937 -8.720 0.344 1.00 72.33 H new ATOM 0 HD12 LEU A 139 2.978 -9.357 2.006 1.00 72.33 H new ATOM 0 HD13 LEU A 139 2.863 -10.476 0.627 1.00 72.33 H new ATOM 0 HD21 LEU A 139 0.894 -8.757 -0.943 1.00 3.42 H new ATOM 0 HD22 LEU A 139 0.675 -10.509 -0.723 1.00 3.42 H new ATOM 0 HD23 LEU A 139 -0.620 -9.384 -0.251 1.00 3.42 H new ATOM 1904 N GLU A 140 -1.176 -11.351 4.713 1.00 10.21 N ATOM 1905 CA GLU A 140 -1.936 -12.389 5.321 1.00 72.40 C ATOM 1906 C GLU A 140 -3.337 -12.350 4.756 1.00 71.43 C ATOM 1907 O GLU A 140 -4.004 -11.313 4.749 1.00 3.52 O ATOM 1908 CB GLU A 140 -1.928 -12.235 6.836 1.00 41.21 C ATOM 1909 CG GLU A 140 -0.539 -12.396 7.434 1.00 12.32 C ATOM 1910 CD GLU A 140 -0.500 -12.116 8.906 1.00 42.40 C ATOM 1911 OE1 GLU A 140 -0.869 -12.999 9.700 1.00 2.41 O ATOM 1912 OE2 GLU A 140 -0.078 -11.011 9.294 1.00 13.05 O ATOM 0 H GLU A 140 -1.646 -10.446 4.714 1.00 10.21 H new ATOM 0 HA GLU A 140 -1.496 -13.362 5.101 1.00 72.40 H new ATOM 0 HB2 GLU A 140 -2.321 -11.253 7.100 1.00 41.21 H new ATOM 0 HB3 GLU A 140 -2.597 -12.975 7.276 1.00 41.21 H new ATOM 0 HG2 GLU A 140 -0.187 -13.412 7.253 1.00 12.32 H new ATOM 0 HG3 GLU A 140 0.151 -11.724 6.923 1.00 12.32 H new ATOM 1919 N TYR A 141 -3.761 -13.456 4.296 1.00 3.51 N ATOM 1920 CA TYR A 141 -5.004 -13.616 3.609 1.00 31.24 C ATOM 1921 C TYR A 141 -5.503 -14.993 3.818 1.00 71.43 C ATOM 1922 O TYR A 141 -4.840 -15.756 4.399 1.00 61.31 O ATOM 1923 CB TYR A 141 -4.896 -13.236 2.115 1.00 22.33 C ATOM 1924 CG TYR A 141 -3.698 -13.776 1.346 1.00 33.55 C ATOM 1925 CD1 TYR A 141 -3.682 -15.055 0.797 1.00 4.05 C ATOM 1926 CD2 TYR A 141 -2.582 -12.969 1.144 1.00 12.32 C ATOM 1927 CE1 TYR A 141 -2.595 -15.499 0.084 1.00 12.42 C ATOM 1928 CE2 TYR A 141 -1.496 -13.417 0.421 1.00 35.13 C ATOM 1929 CZ TYR A 141 -1.515 -14.685 -0.108 1.00 71.12 C ATOM 1930 OH TYR A 141 -0.449 -15.145 -0.837 1.00 31.01 O ATOM 0 H TYR A 141 -3.236 -14.326 4.385 1.00 3.51 H new ATOM 0 HA TYR A 141 -5.734 -12.922 4.027 1.00 31.24 H new ATOM 0 HB2 TYR A 141 -5.802 -13.577 1.613 1.00 22.33 H new ATOM 0 HB3 TYR A 141 -4.882 -12.148 2.043 1.00 22.33 H new ATOM 0 HD1 TYR A 141 -4.533 -15.705 0.933 1.00 4.05 H new ATOM 0 HD2 TYR A 141 -2.566 -11.973 1.561 1.00 12.32 H new ATOM 0 HE1 TYR A 141 -2.594 -16.498 -0.327 1.00 12.42 H new ATOM 0 HE2 TYR A 141 -0.639 -12.777 0.272 1.00 35.13 H new ATOM 0 HH TYR A 141 0.124 -14.391 -1.089 1.00 31.01 H new ATOM 1940 N GLU A 142 -6.687 -15.266 3.459 1.00 74.00 N ATOM 1941 CA GLU A 142 -7.204 -16.613 3.585 1.00 45.20 C ATOM 1942 C GLU A 142 -7.824 -16.995 2.241 1.00 51.51 C ATOM 1943 O GLU A 142 -8.619 -16.213 1.679 1.00 21.01 O ATOM 1944 CB GLU A 142 -8.267 -16.626 4.696 1.00 30.24 C ATOM 1945 CG GLU A 142 -8.965 -17.957 4.938 1.00 1.13 C ATOM 1946 CD GLU A 142 -8.044 -19.063 5.398 1.00 61.43 C ATOM 1947 OE1 GLU A 142 -7.632 -19.052 6.578 1.00 54.20 O ATOM 1948 OE2 GLU A 142 -7.772 -19.985 4.613 1.00 34.33 O ATOM 0 H GLU A 142 -7.343 -14.589 3.069 1.00 74.00 H new ATOM 0 HA GLU A 142 -6.420 -17.325 3.843 1.00 45.20 H new ATOM 0 HB2 GLU A 142 -7.795 -16.312 5.627 1.00 30.24 H new ATOM 0 HB3 GLU A 142 -9.024 -15.880 4.455 1.00 30.24 H new ATOM 0 HG2 GLU A 142 -9.746 -17.815 5.685 1.00 1.13 H new ATOM 0 HG3 GLU A 142 -9.458 -18.269 4.017 1.00 1.13 H new ATOM 1955 N LYS A 143 -7.458 -18.153 1.706 1.00 34.14 N ATOM 1956 CA LYS A 143 -8.008 -18.594 0.426 1.00 22.12 C ATOM 1957 C LYS A 143 -9.448 -19.055 0.590 1.00 51.42 C ATOM 1958 O LYS A 143 -9.779 -19.763 1.539 1.00 75.23 O ATOM 1959 CB LYS A 143 -7.205 -19.750 -0.238 1.00 73.22 C ATOM 1960 CG LYS A 143 -5.851 -19.424 -0.883 1.00 64.22 C ATOM 1961 CD LYS A 143 -4.794 -18.966 0.090 1.00 11.43 C ATOM 1962 CE LYS A 143 -3.457 -18.752 -0.627 1.00 72.31 C ATOM 1963 NZ LYS A 143 -2.898 -20.006 -1.213 1.00 10.31 N ATOM 0 H LYS A 143 -6.791 -18.798 2.130 1.00 34.14 H new ATOM 0 HA LYS A 143 -7.944 -17.723 -0.226 1.00 22.12 H new ATOM 0 HB2 LYS A 143 -7.036 -20.514 0.520 1.00 73.22 H new ATOM 0 HB3 LYS A 143 -7.839 -20.196 -1.004 1.00 73.22 H new ATOM 0 HG2 LYS A 143 -5.488 -20.309 -1.405 1.00 64.22 H new ATOM 0 HG3 LYS A 143 -5.997 -18.648 -1.634 1.00 64.22 H new ATOM 0 HD2 LYS A 143 -5.109 -18.038 0.568 1.00 11.43 H new ATOM 0 HD3 LYS A 143 -4.674 -19.707 0.881 1.00 11.43 H new ATOM 0 HE2 LYS A 143 -3.591 -18.016 -1.420 1.00 72.31 H new ATOM 0 HE3 LYS A 143 -2.737 -18.335 0.077 1.00 72.31 H new ATOM 0 HZ1 LYS A 143 -1.893 -19.865 -1.440 1.00 10.31 H new ATOM 0 HZ2 LYS A 143 -2.993 -20.782 -0.527 1.00 10.31 H new ATOM 0 HZ3 LYS A 143 -3.418 -20.246 -2.081 1.00 10.31 H new ATOM 1977 N ILE A 144 -10.301 -18.645 -0.318 1.00 32.04 N ATOM 1978 CA ILE A 144 -11.680 -19.114 -0.328 1.00 21.12 C ATOM 1979 C ILE A 144 -11.693 -20.537 -0.876 1.00 14.02 C ATOM 1980 O ILE A 144 -12.407 -21.421 -0.391 1.00 2.11 O ATOM 1981 CB ILE A 144 -12.561 -18.199 -1.209 1.00 32.11 C ATOM 1982 CG1 ILE A 144 -12.539 -16.783 -0.646 1.00 31.12 C ATOM 1983 CG2 ILE A 144 -13.993 -18.724 -1.304 1.00 22.55 C ATOM 1984 CD1 ILE A 144 -13.352 -15.795 -1.432 1.00 55.41 C ATOM 0 H ILE A 144 -10.071 -17.987 -1.063 1.00 32.04 H new ATOM 0 HA ILE A 144 -12.084 -19.093 0.684 1.00 21.12 H new ATOM 0 HB ILE A 144 -12.154 -18.192 -2.220 1.00 32.11 H new ATOM 0 HG12 ILE A 144 -12.908 -16.806 0.379 1.00 31.12 H new ATOM 0 HG13 ILE A 144 -11.506 -16.436 -0.605 1.00 31.12 H new ATOM 0 HG21 ILE A 144 -14.584 -18.057 -1.931 1.00 22.55 H new ATOM 0 HG22 ILE A 144 -13.986 -19.722 -1.742 1.00 22.55 H new ATOM 0 HG23 ILE A 144 -14.431 -18.768 -0.307 1.00 22.55 H new ATOM 0 HD11 ILE A 144 -13.283 -14.813 -0.964 1.00 55.41 H new ATOM 0 HD12 ILE A 144 -12.971 -15.739 -2.452 1.00 55.41 H new ATOM 0 HD13 ILE A 144 -14.394 -16.115 -1.451 1.00 55.41 H new ATOM 1996 N SER A 145 -10.869 -20.729 -1.858 1.00 30.42 N ATOM 1997 CA SER A 145 -10.667 -21.975 -2.506 1.00 34.31 C ATOM 1998 C SER A 145 -9.263 -21.917 -3.090 1.00 72.42 C ATOM 1999 O SER A 145 -8.718 -20.816 -3.265 1.00 52.30 O ATOM 2000 CB SER A 145 -11.738 -22.169 -3.604 1.00 13.32 C ATOM 2001 OG SER A 145 -11.595 -23.406 -4.292 1.00 0.21 O ATOM 0 H SER A 145 -10.294 -19.981 -2.244 1.00 30.42 H new ATOM 0 HA SER A 145 -10.761 -22.821 -1.825 1.00 34.31 H new ATOM 0 HB2 SER A 145 -12.729 -22.120 -3.153 1.00 13.32 H new ATOM 0 HB3 SER A 145 -11.673 -21.349 -4.320 1.00 13.32 H new ATOM 0 HG SER A 145 -12.294 -23.484 -4.974 1.00 0.21 H new ATOM 2007 N GLU A 146 -8.672 -23.059 -3.362 1.00 24.00 N ATOM 2008 CA GLU A 146 -7.314 -23.119 -3.897 1.00 75.31 C ATOM 2009 C GLU A 146 -7.228 -22.450 -5.251 1.00 54.23 C ATOM 2010 O GLU A 146 -6.560 -21.428 -5.417 1.00 34.34 O ATOM 2011 CB GLU A 146 -6.890 -24.547 -4.091 1.00 62.03 C ATOM 2012 CG GLU A 146 -6.899 -25.405 -2.846 1.00 42.54 C ATOM 2013 CD GLU A 146 -6.423 -26.803 -3.133 1.00 10.33 C ATOM 2014 OE1 GLU A 146 -5.195 -27.051 -3.095 1.00 3.43 O ATOM 2015 OE2 GLU A 146 -7.265 -27.672 -3.420 1.00 61.25 O ATOM 0 H GLU A 146 -9.108 -23.970 -3.223 1.00 24.00 H new ATOM 0 HA GLU A 146 -6.670 -22.610 -3.180 1.00 75.31 H new ATOM 0 HB2 GLU A 146 -7.546 -25.005 -4.831 1.00 62.03 H new ATOM 0 HB3 GLU A 146 -5.883 -24.555 -4.509 1.00 62.03 H new ATOM 0 HG2 GLU A 146 -6.262 -24.952 -2.087 1.00 42.54 H new ATOM 0 HG3 GLU A 146 -7.908 -25.441 -2.435 1.00 42.54 H new ATOM 2022 N GLU A 147 -7.948 -23.031 -6.202 1.00 3.21 N ATOM 2023 CA GLU A 147 -7.923 -22.631 -7.602 1.00 24.42 C ATOM 2024 C GLU A 147 -8.379 -21.199 -7.818 1.00 24.20 C ATOM 2025 O GLU A 147 -8.042 -20.589 -8.833 1.00 63.11 O ATOM 2026 CB GLU A 147 -8.795 -23.576 -8.432 1.00 14.41 C ATOM 2027 CG GLU A 147 -8.371 -25.036 -8.378 1.00 22.52 C ATOM 2028 CD GLU A 147 -9.261 -25.922 -9.214 1.00 40.25 C ATOM 2029 OE1 GLU A 147 -8.987 -26.090 -10.417 1.00 53.31 O ATOM 2030 OE2 GLU A 147 -10.253 -26.459 -8.683 1.00 53.41 O ATOM 0 H GLU A 147 -8.579 -23.810 -6.017 1.00 3.21 H new ATOM 0 HA GLU A 147 -6.884 -22.691 -7.926 1.00 24.42 H new ATOM 0 HB2 GLU A 147 -9.826 -23.497 -8.086 1.00 14.41 H new ATOM 0 HB3 GLU A 147 -8.781 -23.245 -9.470 1.00 14.41 H new ATOM 0 HG2 GLU A 147 -7.342 -25.126 -8.726 1.00 22.52 H new ATOM 0 HG3 GLU A 147 -8.389 -25.379 -7.344 1.00 22.52 H new ATOM 2037 N VAL A 148 -9.120 -20.651 -6.873 1.00 54.45 N ATOM 2038 CA VAL A 148 -9.659 -19.297 -7.068 1.00 61.24 C ATOM 2039 C VAL A 148 -8.631 -18.229 -6.761 1.00 62.31 C ATOM 2040 O VAL A 148 -8.696 -17.145 -7.301 1.00 5.31 O ATOM 2041 CB VAL A 148 -10.976 -19.004 -6.284 1.00 4.13 C ATOM 2042 CG1 VAL A 148 -12.036 -20.034 -6.589 1.00 52.40 C ATOM 2043 CG2 VAL A 148 -10.754 -18.838 -4.784 1.00 14.21 C ATOM 0 H VAL A 148 -9.363 -21.095 -5.988 1.00 54.45 H new ATOM 0 HA VAL A 148 -9.914 -19.262 -8.127 1.00 61.24 H new ATOM 0 HB VAL A 148 -11.340 -18.039 -6.637 1.00 4.13 H new ATOM 0 HG11 VAL A 148 -12.941 -19.802 -6.028 1.00 52.40 H new ATOM 0 HG12 VAL A 148 -12.258 -20.023 -7.656 1.00 52.40 H new ATOM 0 HG13 VAL A 148 -11.676 -21.022 -6.304 1.00 52.40 H new ATOM 0 HG21 VAL A 148 -11.707 -18.636 -4.295 1.00 14.21 H new ATOM 0 HG22 VAL A 148 -10.324 -19.753 -4.376 1.00 14.21 H new ATOM 0 HG23 VAL A 148 -10.072 -18.006 -4.607 1.00 14.21 H new ATOM 2053 N ALA A 149 -7.678 -18.557 -5.921 1.00 42.15 N ATOM 2054 CA ALA A 149 -6.684 -17.604 -5.508 1.00 23.24 C ATOM 2055 C ALA A 149 -5.499 -17.617 -6.446 1.00 50.42 C ATOM 2056 O ALA A 149 -5.163 -18.651 -7.030 1.00 50.44 O ATOM 2057 CB ALA A 149 -6.254 -17.884 -4.085 1.00 13.21 C ATOM 0 H ALA A 149 -7.573 -19.484 -5.510 1.00 42.15 H new ATOM 0 HA ALA A 149 -7.123 -16.607 -5.546 1.00 23.24 H new ATOM 0 HB1 ALA A 149 -5.501 -17.156 -3.783 1.00 13.21 H new ATOM 0 HB2 ALA A 149 -7.117 -17.810 -3.423 1.00 13.21 H new ATOM 0 HB3 ALA A 149 -5.834 -18.888 -4.023 1.00 13.21 H new ATOM 2063 N HIS A 150 -4.876 -16.475 -6.597 1.00 64.22 N ATOM 2064 CA HIS A 150 -3.740 -16.321 -7.487 1.00 51.13 C ATOM 2065 C HIS A 150 -2.614 -15.560 -6.807 1.00 2.32 C ATOM 2066 O HIS A 150 -2.564 -14.338 -6.906 1.00 63.15 O ATOM 2067 CB HIS A 150 -4.132 -15.583 -8.790 1.00 52.14 C ATOM 2068 CG HIS A 150 -4.969 -16.354 -9.758 1.00 72.13 C ATOM 2069 ND1 HIS A 150 -4.490 -16.771 -10.978 1.00 4.52 N ATOM 2070 CD2 HIS A 150 -6.259 -16.750 -9.710 1.00 50.12 C ATOM 2071 CE1 HIS A 150 -5.441 -17.387 -11.634 1.00 1.42 C ATOM 2072 NE2 HIS A 150 -6.525 -17.391 -10.890 1.00 72.22 N ATOM 0 H HIS A 150 -5.139 -15.620 -6.107 1.00 64.22 H new ATOM 0 HA HIS A 150 -3.400 -17.325 -7.739 1.00 51.13 H new ATOM 0 HB2 HIS A 150 -4.670 -14.674 -8.520 1.00 52.14 H new ATOM 0 HB3 HIS A 150 -3.218 -15.274 -9.297 1.00 52.14 H new ATOM 0 HD1 HIS A 150 -3.540 -16.623 -11.319 1.00 4.52 H new ATOM 0 HD2 HIS A 150 -6.950 -16.591 -8.895 1.00 50.12 H new ATOM 0 HE1 HIS A 150 -5.350 -17.819 -12.620 1.00 1.42 H new ATOM 2081 N PRO A 151 -1.711 -16.261 -6.071 1.00 72.01 N ATOM 2082 CA PRO A 151 -0.555 -15.636 -5.364 1.00 5.23 C ATOM 2083 C PRO A 151 0.255 -14.640 -6.238 1.00 1.03 C ATOM 2084 O PRO A 151 0.861 -13.688 -5.722 1.00 45.32 O ATOM 2085 CB PRO A 151 0.290 -16.842 -4.967 1.00 53.32 C ATOM 2086 CG PRO A 151 -0.717 -17.918 -4.751 1.00 51.01 C ATOM 2087 CD PRO A 151 -1.759 -17.722 -5.820 1.00 73.02 C ATOM 0 HA PRO A 151 -0.880 -15.022 -4.525 1.00 5.23 H new ATOM 0 HB2 PRO A 151 1.001 -17.109 -5.749 1.00 53.32 H new ATOM 0 HB3 PRO A 151 0.868 -16.647 -4.064 1.00 53.32 H new ATOM 0 HG2 PRO A 151 -0.259 -18.904 -4.827 1.00 51.01 H new ATOM 0 HG3 PRO A 151 -1.158 -17.847 -3.757 1.00 51.01 H new ATOM 0 HD2 PRO A 151 -1.527 -18.293 -6.719 1.00 73.02 H new ATOM 0 HD3 PRO A 151 -2.746 -18.041 -5.485 1.00 73.02 H new ATOM 2095 N GLU A 152 0.227 -14.860 -7.545 1.00 15.40 N ATOM 2096 CA GLU A 152 0.874 -13.990 -8.535 1.00 10.22 C ATOM 2097 C GLU A 152 0.429 -12.525 -8.403 1.00 64.55 C ATOM 2098 O GLU A 152 1.238 -11.596 -8.519 1.00 61.02 O ATOM 2099 CB GLU A 152 0.514 -14.475 -9.938 1.00 42.20 C ATOM 2100 CG GLU A 152 -0.983 -14.604 -10.175 1.00 64.44 C ATOM 2101 CD GLU A 152 -1.366 -15.114 -11.538 1.00 4.03 C ATOM 2102 OE1 GLU A 152 -1.144 -14.403 -12.542 1.00 71.14 O ATOM 2103 OE2 GLU A 152 -1.951 -16.206 -11.623 1.00 71.54 O ATOM 0 H GLU A 152 -0.252 -15.659 -7.961 1.00 15.40 H new ATOM 0 HA GLU A 152 1.949 -14.038 -8.359 1.00 10.22 H new ATOM 0 HB2 GLU A 152 0.930 -13.783 -10.670 1.00 42.20 H new ATOM 0 HB3 GLU A 152 0.985 -15.443 -10.110 1.00 42.20 H new ATOM 0 HG2 GLU A 152 -1.399 -15.274 -9.422 1.00 64.44 H new ATOM 0 HG3 GLU A 152 -1.446 -13.629 -10.025 1.00 64.44 H new ATOM 2110 N THR A 153 -0.849 -12.337 -8.125 1.00 14.01 N ATOM 2111 CA THR A 153 -1.450 -11.035 -8.095 1.00 21.33 C ATOM 2112 C THR A 153 -0.877 -10.193 -6.997 1.00 55.33 C ATOM 2113 O THR A 153 -0.740 -8.992 -7.146 1.00 1.02 O ATOM 2114 CB THR A 153 -2.979 -11.133 -7.931 1.00 71.12 C ATOM 2115 OG1 THR A 153 -3.295 -11.842 -6.721 1.00 35.14 O ATOM 2116 CG2 THR A 153 -3.578 -11.867 -9.106 1.00 1.04 C ATOM 0 H THR A 153 -1.496 -13.097 -7.913 1.00 14.01 H new ATOM 0 HA THR A 153 -1.228 -10.558 -9.050 1.00 21.33 H new ATOM 0 HB THR A 153 -3.392 -10.125 -7.883 1.00 71.12 H new ATOM 0 HG1 THR A 153 -3.320 -12.805 -6.903 1.00 35.14 H new ATOM 0 HG21 THR A 153 -4.659 -11.932 -8.982 1.00 1.04 H new ATOM 0 HG22 THR A 153 -3.350 -11.329 -10.026 1.00 1.04 H new ATOM 0 HG23 THR A 153 -3.158 -12.871 -9.160 1.00 1.04 H new ATOM 2124 N LEU A 154 -0.501 -10.835 -5.912 1.00 41.12 N ATOM 2125 CA LEU A 154 -0.004 -10.121 -4.766 1.00 1.44 C ATOM 2126 C LEU A 154 1.388 -9.612 -5.017 1.00 4.21 C ATOM 2127 O LEU A 154 1.730 -8.491 -4.630 1.00 60.13 O ATOM 2128 CB LEU A 154 -0.056 -10.952 -3.485 1.00 31.12 C ATOM 2129 CG LEU A 154 -1.428 -11.508 -3.066 1.00 53.11 C ATOM 2130 CD1 LEU A 154 -2.535 -10.478 -3.192 1.00 55.23 C ATOM 2131 CD2 LEU A 154 -1.767 -12.789 -3.773 1.00 45.24 C ATOM 0 H LEU A 154 -0.532 -11.849 -5.804 1.00 41.12 H new ATOM 0 HA LEU A 154 -0.667 -9.269 -4.614 1.00 1.44 H new ATOM 0 HB2 LEU A 154 0.629 -11.792 -3.599 1.00 31.12 H new ATOM 0 HB3 LEU A 154 0.324 -10.339 -2.668 1.00 31.12 H new ATOM 0 HG LEU A 154 -1.346 -11.748 -2.006 1.00 53.11 H new ATOM 0 HD11 LEU A 154 -3.482 -10.922 -2.884 1.00 55.23 H new ATOM 0 HD12 LEU A 154 -2.311 -9.623 -2.554 1.00 55.23 H new ATOM 0 HD13 LEU A 154 -2.609 -10.148 -4.228 1.00 55.23 H new ATOM 0 HD21 LEU A 154 -2.745 -13.140 -3.442 1.00 45.24 H new ATOM 0 HD22 LEU A 154 -1.789 -12.616 -4.849 1.00 45.24 H new ATOM 0 HD23 LEU A 154 -1.014 -13.542 -3.542 1.00 45.24 H new ATOM 2143 N LEU A 155 2.189 -10.421 -5.690 1.00 61.52 N ATOM 2144 CA LEU A 155 3.533 -10.026 -6.027 1.00 52.22 C ATOM 2145 C LEU A 155 3.508 -8.862 -6.977 1.00 40.33 C ATOM 2146 O LEU A 155 4.285 -7.939 -6.850 1.00 40.30 O ATOM 2147 CB LEU A 155 4.338 -11.185 -6.600 1.00 54.43 C ATOM 2148 CG LEU A 155 4.604 -12.342 -5.639 1.00 54.11 C ATOM 2149 CD1 LEU A 155 5.429 -13.399 -6.315 1.00 2.10 C ATOM 2150 CD2 LEU A 155 5.315 -11.852 -4.386 1.00 73.31 C ATOM 0 H LEU A 155 1.926 -11.353 -6.010 1.00 61.52 H new ATOM 0 HA LEU A 155 4.032 -9.717 -5.109 1.00 52.22 H new ATOM 0 HB2 LEU A 155 3.812 -11.574 -7.472 1.00 54.43 H new ATOM 0 HB3 LEU A 155 5.295 -10.800 -6.951 1.00 54.43 H new ATOM 0 HG LEU A 155 3.645 -12.770 -5.348 1.00 54.11 H new ATOM 0 HD11 LEU A 155 5.612 -14.218 -5.619 1.00 2.10 H new ATOM 0 HD12 LEU A 155 4.894 -13.776 -7.187 1.00 2.10 H new ATOM 0 HD13 LEU A 155 6.381 -12.971 -6.630 1.00 2.10 H new ATOM 0 HD21 LEU A 155 5.494 -12.693 -3.717 1.00 73.31 H new ATOM 0 HD22 LEU A 155 6.267 -11.399 -4.662 1.00 73.31 H new ATOM 0 HD23 LEU A 155 4.694 -11.112 -3.881 1.00 73.31 H new ATOM 2162 N GLN A 156 2.602 -8.884 -7.911 1.00 61.11 N ATOM 2163 CA GLN A 156 2.484 -7.774 -8.816 1.00 20.34 C ATOM 2164 C GLN A 156 1.869 -6.552 -8.131 1.00 14.12 C ATOM 2165 O GLN A 156 2.298 -5.431 -8.371 1.00 53.55 O ATOM 2166 CB GLN A 156 1.757 -8.159 -10.080 1.00 13.54 C ATOM 2167 CG GLN A 156 2.453 -9.286 -10.813 1.00 44.31 C ATOM 2168 CD GLN A 156 1.897 -9.517 -12.176 1.00 4.54 C ATOM 2169 OE1 GLN A 156 0.972 -10.300 -12.368 1.00 13.53 O ATOM 2170 NE2 GLN A 156 2.463 -8.838 -13.136 1.00 21.24 N ATOM 0 H GLN A 156 1.942 -9.646 -8.067 1.00 61.11 H new ATOM 0 HA GLN A 156 3.491 -7.486 -9.117 1.00 20.34 H new ATOM 0 HB2 GLN A 156 0.738 -8.460 -9.835 1.00 13.54 H new ATOM 0 HB3 GLN A 156 1.684 -7.291 -10.735 1.00 13.54 H new ATOM 0 HG2 GLN A 156 3.516 -9.060 -10.893 1.00 44.31 H new ATOM 0 HG3 GLN A 156 2.365 -10.202 -10.229 1.00 44.31 H new ATOM 0 HE21 GLN A 156 3.229 -8.199 -12.925 1.00 21.24 H new ATOM 0 HE22 GLN A 156 2.139 -8.946 -14.097 1.00 21.24 H new ATOM 2179 N PHE A 157 0.898 -6.790 -7.248 1.00 73.54 N ATOM 2180 CA PHE A 157 0.237 -5.723 -6.479 1.00 70.14 C ATOM 2181 C PHE A 157 1.259 -4.940 -5.676 1.00 54.25 C ATOM 2182 O PHE A 157 1.236 -3.701 -5.657 1.00 1.12 O ATOM 2183 CB PHE A 157 -0.839 -6.321 -5.533 1.00 41.54 C ATOM 2184 CG PHE A 157 -1.590 -5.313 -4.672 1.00 54.41 C ATOM 2185 CD1 PHE A 157 -2.589 -4.527 -5.222 1.00 35.31 C ATOM 2186 CD2 PHE A 157 -1.297 -5.160 -3.312 1.00 44.33 C ATOM 2187 CE1 PHE A 157 -3.281 -3.613 -4.449 1.00 31.25 C ATOM 2188 CE2 PHE A 157 -1.998 -4.240 -2.532 1.00 4.04 C ATOM 2189 CZ PHE A 157 -2.987 -3.472 -3.106 1.00 24.44 C ATOM 0 H PHE A 157 0.545 -7.725 -7.043 1.00 73.54 H new ATOM 0 HA PHE A 157 -0.252 -5.047 -7.180 1.00 70.14 H new ATOM 0 HB2 PHE A 157 -1.564 -6.869 -6.136 1.00 41.54 H new ATOM 0 HB3 PHE A 157 -0.358 -7.046 -4.876 1.00 41.54 H new ATOM 0 HD1 PHE A 157 -2.831 -4.629 -6.270 1.00 35.31 H new ATOM 0 HD2 PHE A 157 -0.520 -5.760 -2.862 1.00 44.33 H new ATOM 0 HE1 PHE A 157 -4.055 -3.007 -4.897 1.00 31.25 H new ATOM 0 HE2 PHE A 157 -1.766 -4.130 -1.483 1.00 4.04 H new ATOM 0 HZ PHE A 157 -3.533 -2.759 -2.506 1.00 24.44 H new ATOM 2199 N CYS A 158 2.179 -5.657 -5.029 1.00 24.00 N ATOM 2200 CA CYS A 158 3.181 -5.002 -4.232 1.00 23.11 C ATOM 2201 C CYS A 158 4.095 -4.152 -5.104 1.00 3.35 C ATOM 2202 O CYS A 158 4.515 -3.076 -4.698 1.00 24.13 O ATOM 2203 CB CYS A 158 3.978 -5.989 -3.351 1.00 5.42 C ATOM 2204 SG CYS A 158 5.009 -7.198 -4.202 1.00 73.43 S ATOM 0 H CYS A 158 2.240 -6.675 -5.048 1.00 24.00 H new ATOM 0 HA CYS A 158 2.661 -4.337 -3.542 1.00 23.11 H new ATOM 0 HB2 CYS A 158 4.616 -5.409 -2.685 1.00 5.42 H new ATOM 0 HB3 CYS A 158 3.270 -6.530 -2.723 1.00 5.42 H new ATOM 0 HG CYS A 158 4.692 -7.229 -5.462 1.00 73.43 H new ATOM 2210 N VAL A 159 4.354 -4.616 -6.328 1.00 61.40 N ATOM 2211 CA VAL A 159 5.184 -3.876 -7.268 1.00 54.34 C ATOM 2212 C VAL A 159 4.509 -2.555 -7.618 1.00 33.03 C ATOM 2213 O VAL A 159 5.110 -1.493 -7.500 1.00 65.41 O ATOM 2214 CB VAL A 159 5.434 -4.670 -8.592 1.00 43.12 C ATOM 2215 CG1 VAL A 159 6.270 -3.858 -9.567 1.00 1.22 C ATOM 2216 CG2 VAL A 159 6.112 -5.995 -8.318 1.00 72.21 C ATOM 0 H VAL A 159 3.999 -5.502 -6.688 1.00 61.40 H new ATOM 0 HA VAL A 159 6.145 -3.708 -6.783 1.00 54.34 H new ATOM 0 HB VAL A 159 4.460 -4.864 -9.041 1.00 43.12 H new ATOM 0 HG11 VAL A 159 6.428 -4.434 -10.478 1.00 1.22 H new ATOM 0 HG12 VAL A 159 5.749 -2.932 -9.809 1.00 1.22 H new ATOM 0 HG13 VAL A 159 7.233 -3.625 -9.114 1.00 1.22 H new ATOM 0 HG21 VAL A 159 6.272 -6.523 -9.258 1.00 72.21 H new ATOM 0 HG22 VAL A 159 7.072 -5.819 -7.833 1.00 72.21 H new ATOM 0 HG23 VAL A 159 5.481 -6.599 -7.666 1.00 72.21 H new ATOM 2226 N GLU A 160 3.242 -2.641 -8.001 1.00 3.22 N ATOM 2227 CA GLU A 160 2.455 -1.491 -8.447 1.00 40.32 C ATOM 2228 C GLU A 160 2.364 -0.410 -7.374 1.00 2.44 C ATOM 2229 O GLU A 160 2.357 0.786 -7.681 1.00 33.12 O ATOM 2230 CB GLU A 160 1.070 -1.954 -8.883 1.00 22.31 C ATOM 2231 CG GLU A 160 1.138 -3.036 -9.942 1.00 62.32 C ATOM 2232 CD GLU A 160 -0.203 -3.538 -10.386 1.00 13.32 C ATOM 2233 OE1 GLU A 160 -0.962 -4.058 -9.546 1.00 25.24 O ATOM 2234 OE2 GLU A 160 -0.479 -3.485 -11.602 1.00 15.45 O ATOM 0 H GLU A 160 2.723 -3.519 -8.012 1.00 3.22 H new ATOM 0 HA GLU A 160 2.963 -1.041 -9.300 1.00 40.32 H new ATOM 0 HB2 GLU A 160 0.524 -2.329 -8.017 1.00 22.31 H new ATOM 0 HB3 GLU A 160 0.509 -1.103 -9.270 1.00 22.31 H new ATOM 0 HG2 GLU A 160 1.675 -2.649 -10.808 1.00 62.32 H new ATOM 0 HG3 GLU A 160 1.718 -3.873 -9.555 1.00 62.32 H new ATOM 2241 N VAL A 161 2.300 -0.824 -6.127 1.00 73.10 N ATOM 2242 CA VAL A 161 2.273 0.114 -5.023 1.00 52.00 C ATOM 2243 C VAL A 161 3.686 0.671 -4.755 1.00 34.24 C ATOM 2244 O VAL A 161 3.852 1.874 -4.501 1.00 33.45 O ATOM 2245 CB VAL A 161 1.696 -0.524 -3.738 1.00 70.04 C ATOM 2246 CG1 VAL A 161 1.649 0.484 -2.591 1.00 53.21 C ATOM 2247 CG2 VAL A 161 0.310 -1.090 -4.001 1.00 75.52 C ATOM 0 H VAL A 161 2.266 -1.805 -5.851 1.00 73.10 H new ATOM 0 HA VAL A 161 1.614 0.934 -5.308 1.00 52.00 H new ATOM 0 HB VAL A 161 2.358 -1.338 -3.444 1.00 70.04 H new ATOM 0 HG11 VAL A 161 1.239 0.005 -1.702 1.00 53.21 H new ATOM 0 HG12 VAL A 161 2.657 0.841 -2.378 1.00 53.21 H new ATOM 0 HG13 VAL A 161 1.018 1.327 -2.873 1.00 53.21 H new ATOM 0 HG21 VAL A 161 -0.081 -1.535 -3.086 1.00 75.52 H new ATOM 0 HG22 VAL A 161 -0.354 -0.290 -4.328 1.00 75.52 H new ATOM 0 HG23 VAL A 161 0.370 -1.852 -4.778 1.00 75.52 H new ATOM 2257 N SER A 162 4.700 -0.203 -4.857 1.00 14.43 N ATOM 2258 CA SER A 162 6.093 0.184 -4.634 1.00 2.25 C ATOM 2259 C SER A 162 6.537 1.252 -5.620 1.00 62.34 C ATOM 2260 O SER A 162 7.313 2.135 -5.276 1.00 54.54 O ATOM 2261 CB SER A 162 7.000 -1.028 -4.722 1.00 1.44 C ATOM 2262 OG SER A 162 6.677 -1.965 -3.704 1.00 52.31 O ATOM 0 H SER A 162 4.575 -1.187 -5.094 1.00 14.43 H new ATOM 0 HA SER A 162 6.165 0.605 -3.631 1.00 2.25 H new ATOM 0 HB2 SER A 162 6.898 -1.496 -5.701 1.00 1.44 H new ATOM 0 HB3 SER A 162 8.041 -0.719 -4.623 1.00 1.44 H new ATOM 0 HG SER A 162 5.926 -2.522 -3.998 1.00 52.31 H new ATOM 2268 N LYS A 163 6.002 1.177 -6.837 1.00 51.22 N ATOM 2269 CA LYS A 163 6.304 2.132 -7.897 1.00 70.33 C ATOM 2270 C LYS A 163 5.959 3.527 -7.432 1.00 24.33 C ATOM 2271 O LYS A 163 6.816 4.418 -7.395 1.00 2.15 O ATOM 2272 CB LYS A 163 5.416 1.856 -9.132 1.00 75.32 C ATOM 2273 CG LYS A 163 5.546 0.494 -9.776 1.00 1.14 C ATOM 2274 CD LYS A 163 4.578 0.373 -10.946 1.00 54.43 C ATOM 2275 CE LYS A 163 4.633 -0.997 -11.589 1.00 41.03 C ATOM 2276 NZ LYS A 163 3.682 -1.120 -12.723 1.00 60.31 N ATOM 0 H LYS A 163 5.344 0.449 -7.115 1.00 51.22 H new ATOM 0 HA LYS A 163 7.361 2.038 -8.144 1.00 70.33 H new ATOM 0 HB2 LYS A 163 4.375 1.995 -8.840 1.00 75.32 H new ATOM 0 HB3 LYS A 163 5.639 2.611 -9.886 1.00 75.32 H new ATOM 0 HG2 LYS A 163 6.568 0.343 -10.123 1.00 1.14 H new ATOM 0 HG3 LYS A 163 5.340 -0.285 -9.042 1.00 1.14 H new ATOM 0 HD2 LYS A 163 3.564 0.570 -10.599 1.00 54.43 H new ATOM 0 HD3 LYS A 163 4.813 1.133 -11.691 1.00 54.43 H new ATOM 0 HE2 LYS A 163 5.646 -1.191 -11.943 1.00 41.03 H new ATOM 0 HE3 LYS A 163 4.406 -1.757 -10.842 1.00 41.03 H new ATOM 0 HZ1 LYS A 163 3.753 -2.073 -13.134 1.00 60.31 H new ATOM 0 HZ2 LYS A 163 2.712 -0.961 -12.382 1.00 60.31 H new ATOM 0 HZ3 LYS A 163 3.914 -0.412 -13.449 1.00 60.31 H new ATOM 2290 N GLU A 164 4.707 3.657 -7.006 1.00 14.24 N ATOM 2291 CA GLU A 164 4.088 4.912 -6.645 1.00 12.13 C ATOM 2292 C GLU A 164 4.810 5.563 -5.487 1.00 71.43 C ATOM 2293 O GLU A 164 5.194 6.727 -5.553 1.00 72.53 O ATOM 2294 CB GLU A 164 2.643 4.645 -6.231 1.00 13.43 C ATOM 2295 CG GLU A 164 1.786 5.892 -6.085 1.00 33.23 C ATOM 2296 CD GLU A 164 1.602 6.599 -7.402 1.00 33.15 C ATOM 2297 OE1 GLU A 164 0.841 6.093 -8.243 1.00 35.00 O ATOM 2298 OE2 GLU A 164 2.223 7.656 -7.630 1.00 33.01 O ATOM 0 H GLU A 164 4.080 2.859 -6.902 1.00 14.24 H new ATOM 0 HA GLU A 164 4.132 5.581 -7.504 1.00 12.13 H new ATOM 0 HB2 GLU A 164 2.183 3.988 -6.969 1.00 13.43 H new ATOM 0 HB3 GLU A 164 2.644 4.108 -5.283 1.00 13.43 H new ATOM 0 HG2 GLU A 164 0.812 5.619 -5.680 1.00 33.23 H new ATOM 0 HG3 GLU A 164 2.250 6.571 -5.369 1.00 33.23 H new ATOM 2305 N ILE A 165 5.012 4.800 -4.438 1.00 44.35 N ATOM 2306 CA ILE A 165 5.593 5.334 -3.236 1.00 4.05 C ATOM 2307 C ILE A 165 7.052 5.740 -3.442 1.00 44.31 C ATOM 2308 O ILE A 165 7.469 6.818 -3.022 1.00 21.04 O ATOM 2309 CB ILE A 165 5.415 4.372 -2.017 1.00 31.00 C ATOM 2310 CG1 ILE A 165 5.965 4.989 -0.737 1.00 51.53 C ATOM 2311 CG2 ILE A 165 6.037 3.003 -2.269 1.00 22.52 C ATOM 2312 CD1 ILE A 165 5.329 6.310 -0.387 1.00 22.05 C ATOM 0 H ILE A 165 4.781 3.807 -4.396 1.00 44.35 H new ATOM 0 HA ILE A 165 5.042 6.243 -2.995 1.00 4.05 H new ATOM 0 HB ILE A 165 4.343 4.223 -1.889 1.00 31.00 H new ATOM 0 HG12 ILE A 165 5.814 4.292 0.087 1.00 51.53 H new ATOM 0 HG13 ILE A 165 7.041 5.129 -0.843 1.00 51.53 H new ATOM 0 HG21 ILE A 165 5.888 2.369 -1.395 1.00 22.52 H new ATOM 0 HG22 ILE A 165 5.563 2.542 -3.136 1.00 22.52 H new ATOM 0 HG23 ILE A 165 7.105 3.117 -2.457 1.00 22.52 H new ATOM 0 HD11 ILE A 165 5.768 6.692 0.535 1.00 22.05 H new ATOM 0 HD12 ILE A 165 5.502 7.022 -1.194 1.00 22.05 H new ATOM 0 HD13 ILE A 165 4.257 6.172 -0.249 1.00 22.05 H new ATOM 2324 N ASP A 166 7.790 4.900 -4.122 1.00 54.34 N ATOM 2325 CA ASP A 166 9.212 5.160 -4.408 1.00 42.44 C ATOM 2326 C ASP A 166 9.391 6.465 -5.200 1.00 42.41 C ATOM 2327 O ASP A 166 10.163 7.339 -4.806 1.00 11.44 O ATOM 2328 CB ASP A 166 9.836 3.967 -5.143 1.00 53.11 C ATOM 2329 CG ASP A 166 11.274 4.180 -5.575 1.00 50.21 C ATOM 2330 OD1 ASP A 166 12.195 4.020 -4.751 1.00 25.30 O ATOM 2331 OD2 ASP A 166 11.491 4.479 -6.773 1.00 71.21 O ATOM 0 H ASP A 166 7.443 4.018 -4.498 1.00 54.34 H new ATOM 0 HA ASP A 166 9.735 5.285 -3.460 1.00 42.44 H new ATOM 0 HB2 ASP A 166 9.790 3.092 -4.495 1.00 53.11 H new ATOM 0 HB3 ASP A 166 9.234 3.743 -6.024 1.00 53.11 H new ATOM 2336 N GLU A 167 8.624 6.617 -6.271 1.00 33.41 N ATOM 2337 CA GLU A 167 8.692 7.825 -7.107 1.00 23.11 C ATOM 2338 C GLU A 167 8.161 9.043 -6.380 1.00 32.04 C ATOM 2339 O GLU A 167 8.600 10.144 -6.634 1.00 4.40 O ATOM 2340 CB GLU A 167 8.035 7.622 -8.489 1.00 23.00 C ATOM 2341 CG GLU A 167 6.568 7.222 -8.447 1.00 35.35 C ATOM 2342 CD GLU A 167 5.996 6.940 -9.816 1.00 42.23 C ATOM 2343 OE1 GLU A 167 6.156 5.810 -10.320 1.00 2.10 O ATOM 2344 OE2 GLU A 167 5.381 7.853 -10.421 1.00 5.12 O ATOM 0 H GLU A 167 7.946 5.924 -6.588 1.00 33.41 H new ATOM 0 HA GLU A 167 9.747 8.016 -7.303 1.00 23.11 H new ATOM 0 HB2 GLU A 167 8.129 8.546 -9.059 1.00 23.00 H new ATOM 0 HB3 GLU A 167 8.590 6.856 -9.030 1.00 23.00 H new ATOM 0 HG2 GLU A 167 6.456 6.336 -7.822 1.00 35.35 H new ATOM 0 HG3 GLU A 167 5.993 8.019 -7.976 1.00 35.35 H new ATOM 2351 N HIS A 168 7.223 8.843 -5.487 1.00 11.13 N ATOM 2352 CA HIS A 168 6.687 9.941 -4.705 1.00 53.31 C ATOM 2353 C HIS A 168 7.747 10.442 -3.700 1.00 35.53 C ATOM 2354 O HIS A 168 7.835 11.628 -3.423 1.00 20.34 O ATOM 2355 CB HIS A 168 5.407 9.499 -3.972 1.00 75.50 C ATOM 2356 CG HIS A 168 4.657 10.612 -3.296 1.00 31.13 C ATOM 2357 ND1 HIS A 168 3.546 11.203 -3.848 1.00 14.22 N ATOM 2358 CD2 HIS A 168 4.848 11.224 -2.102 1.00 33.01 C ATOM 2359 CE1 HIS A 168 3.090 12.124 -3.032 1.00 30.05 C ATOM 2360 NE2 HIS A 168 3.858 12.160 -1.964 1.00 3.23 N ATOM 0 H HIS A 168 6.812 7.933 -5.280 1.00 11.13 H new ATOM 0 HA HIS A 168 6.431 10.761 -5.375 1.00 53.31 H new ATOM 0 HB2 HIS A 168 4.743 9.014 -4.688 1.00 75.50 H new ATOM 0 HB3 HIS A 168 5.672 8.751 -3.225 1.00 75.50 H new ATOM 0 HD2 HIS A 168 5.634 11.013 -1.392 1.00 33.01 H new ATOM 0 HE1 HIS A 168 2.227 12.749 -3.208 1.00 30.05 H new ATOM 0 HE2 HIS A 168 3.736 12.782 -1.165 1.00 3.23 H new ATOM 2369 N LEU A 169 8.530 9.514 -3.153 1.00 53.25 N ATOM 2370 CA LEU A 169 9.587 9.849 -2.197 1.00 32.01 C ATOM 2371 C LEU A 169 10.823 10.419 -2.884 1.00 32.13 C ATOM 2372 O LEU A 169 11.511 11.278 -2.330 1.00 62.00 O ATOM 2373 CB LEU A 169 9.967 8.636 -1.349 1.00 72.42 C ATOM 2374 CG LEU A 169 8.854 8.028 -0.488 1.00 34.01 C ATOM 2375 CD1 LEU A 169 9.369 6.827 0.276 1.00 14.10 C ATOM 2376 CD2 LEU A 169 8.279 9.057 0.470 1.00 60.41 C ATOM 0 H LEU A 169 8.452 8.518 -3.356 1.00 53.25 H new ATOM 0 HA LEU A 169 9.185 10.623 -1.543 1.00 32.01 H new ATOM 0 HB2 LEU A 169 10.346 7.860 -2.014 1.00 72.42 H new ATOM 0 HB3 LEU A 169 10.788 8.923 -0.692 1.00 72.42 H new ATOM 0 HG LEU A 169 8.055 7.702 -1.154 1.00 34.01 H new ATOM 0 HD11 LEU A 169 8.565 6.409 0.882 1.00 14.10 H new ATOM 0 HD12 LEU A 169 9.723 6.073 -0.427 1.00 14.10 H new ATOM 0 HD13 LEU A 169 10.190 7.133 0.924 1.00 14.10 H new ATOM 0 HD21 LEU A 169 7.492 8.598 1.068 1.00 60.41 H new ATOM 0 HD22 LEU A 169 9.068 9.422 1.128 1.00 60.41 H new ATOM 0 HD23 LEU A 169 7.864 9.890 -0.097 1.00 60.41 H new ATOM 2388 N LEU A 170 11.130 9.917 -4.065 1.00 25.30 N ATOM 2389 CA LEU A 170 12.279 10.409 -4.812 1.00 72.34 C ATOM 2390 C LEU A 170 11.922 11.690 -5.542 1.00 44.21 C ATOM 2391 O LEU A 170 12.711 12.643 -5.574 1.00 73.54 O ATOM 2392 CB LEU A 170 12.748 9.354 -5.810 1.00 21.14 C ATOM 2393 CG LEU A 170 13.213 8.028 -5.221 1.00 51.02 C ATOM 2394 CD1 LEU A 170 13.587 7.073 -6.329 1.00 24.45 C ATOM 2395 CD2 LEU A 170 14.398 8.241 -4.286 1.00 4.42 C ATOM 0 H LEU A 170 10.606 9.174 -4.528 1.00 25.30 H new ATOM 0 HA LEU A 170 13.087 10.617 -4.111 1.00 72.34 H new ATOM 0 HB2 LEU A 170 11.932 9.153 -6.504 1.00 21.14 H new ATOM 0 HB3 LEU A 170 13.567 9.775 -6.394 1.00 21.14 H new ATOM 0 HG LEU A 170 12.394 7.599 -4.644 1.00 51.02 H new ATOM 0 HD11 LEU A 170 13.918 6.128 -5.898 1.00 24.45 H new ATOM 0 HD12 LEU A 170 12.720 6.898 -6.966 1.00 24.45 H new ATOM 0 HD13 LEU A 170 14.393 7.503 -6.923 1.00 24.45 H new ATOM 0 HD21 LEU A 170 14.715 7.282 -3.876 1.00 4.42 H new ATOM 0 HD22 LEU A 170 15.223 8.689 -4.840 1.00 4.42 H new ATOM 0 HD23 LEU A 170 14.105 8.904 -3.472 1.00 4.42 H new