USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1017 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: B 57 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0) USER MOD Set 1.2: B 64 TYR OH : rot 90:sc= 0.345 USER MOD Set 2.1: B 12 LYS NZ :NH3+ -148:sc= 0.44 (180deg=-0.262) USER MOD Set 2.2: B 33 ASN : amide:sc= 0.804 K(o=1.2,f=-9.4!) USER MOD Set 3.1: A 57 LYS NZ :NH3+ -124:sc= 0.418 (180deg=-0.218) USER MOD Set 3.2: A 64 TYR OH : rot 180:sc= -0.18 USER MOD Set 4.1: A 50 ASN : amide:sc= 0.914 K(o=2.1,f=-16!) USER MOD Set 4.2: B 3 LYS NZ :NH3+ -131:sc= 1.18 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc=-0.00309 (180deg=-0.0631) USER MOD Single : A 9 ASN : amide:sc= -1.43 K(o=-1.4,f=-7.1!) USER MOD Single : A 12 LYS NZ :NH3+ -141:sc= -0.922 (180deg=-3.08!) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.333 X(o=0.33,f=0.43) USER MOD Single : A 24 SER OG : rot 180:sc= -0.737 USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= 1.26 (180deg=0.582) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 39 THR OG1 : rot 76:sc= 0.335 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 0.173 (180deg=0.00135) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 65 ASN : amide:sc= -0.0035 K(o=-0.0035,f=-5.6!) USER MOD Single : B 4 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0137) USER MOD Single : B 9 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4.5!) USER MOD Single : B 15 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.088) USER MOD Single : B 18 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.11) USER MOD Single : B 24 SER OG : rot -5:sc= 0.672 USER MOD Single : B 31 LYS NZ :NH3+ -167:sc= 0.0301 (180deg=-0.219) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 75:sc= -0.55 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 51 LYS NZ :NH3+ 139:sc= 0.198 (180deg=0.00455) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 65 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.416 13.616 5.077 1.00 0.43 N ATOM 55 CA LYS A 4 -2.748 13.931 5.668 1.00 62.45 C ATOM 56 C LYS A 4 -3.876 13.128 4.975 1.00 61.13 C ATOM 57 O LYS A 4 -4.871 12.766 5.613 1.00 45.21 O ATOM 58 CB LYS A 4 -3.046 15.457 5.613 1.00 34.44 C ATOM 59 CG LYS A 4 -2.328 16.297 6.700 1.00 12.21 C ATOM 60 CD LYS A 4 -0.785 16.349 6.557 1.00 22.42 C ATOM 61 CE LYS A 4 -0.104 17.065 7.737 1.00 74.33 C ATOM 62 NZ LYS A 4 -0.652 18.429 7.952 1.00 72.32 N ATOM 0 HA LYS A 4 -2.716 13.632 6.716 1.00 62.45 H new ATOM 0 HB2 LYS A 4 -2.758 15.835 4.632 1.00 34.44 H new ATOM 0 HB3 LYS A 4 -4.121 15.607 5.709 1.00 34.44 H new ATOM 0 HG2 LYS A 4 -2.717 17.315 6.671 1.00 12.21 H new ATOM 0 HG3 LYS A 4 -2.576 15.889 7.680 1.00 12.21 H new ATOM 0 HD2 LYS A 4 -0.397 15.333 6.480 1.00 22.42 H new ATOM 0 HD3 LYS A 4 -0.527 16.860 5.629 1.00 22.42 H new ATOM 0 HE2 LYS A 4 -0.235 16.475 8.644 1.00 74.33 H new ATOM 0 HE3 LYS A 4 0.968 17.130 7.551 1.00 74.33 H new ATOM 0 HZ1 LYS A 4 -0.088 18.919 8.675 1.00 72.32 H new ATOM 0 HZ2 LYS A 4 -0.612 18.964 7.061 1.00 72.32 H new ATOM 0 HZ3 LYS A 4 -1.640 18.360 8.270 1.00 72.32 H new ATOM 76 N ILE A 5 -3.695 12.864 3.668 1.00 70.55 N ATOM 77 CA ILE A 5 -4.638 12.054 2.860 1.00 54.41 C ATOM 78 C ILE A 5 -4.721 10.598 3.397 1.00 11.44 C ATOM 79 O ILE A 5 -5.812 10.074 3.607 1.00 70.25 O ATOM 80 CB ILE A 5 -4.209 12.051 1.341 1.00 75.41 C ATOM 81 CG1 ILE A 5 -4.091 13.519 0.804 1.00 44.21 C ATOM 82 CG2 ILE A 5 -5.181 11.212 0.462 1.00 24.25 C ATOM 83 CD1 ILE A 5 -3.511 13.643 -0.599 1.00 62.13 C ATOM 0 H ILE A 5 -2.892 13.204 3.138 1.00 70.55 H new ATOM 0 HA ILE A 5 -5.626 12.508 2.943 1.00 54.41 H new ATOM 0 HB ILE A 5 -3.230 11.575 1.276 1.00 75.41 H new ATOM 0 HG12 ILE A 5 -5.081 13.975 0.814 1.00 44.21 H new ATOM 0 HG13 ILE A 5 -3.469 14.093 1.491 1.00 44.21 H new ATOM 0 HG21 ILE A 5 -4.848 11.238 -0.575 1.00 24.25 H new ATOM 0 HG22 ILE A 5 -5.192 10.181 0.814 1.00 24.25 H new ATOM 0 HG23 ILE A 5 -6.186 11.629 0.531 1.00 24.25 H new ATOM 0 HD11 ILE A 5 -3.469 14.694 -0.884 1.00 62.13 H new ATOM 0 HD12 ILE A 5 -2.506 13.222 -0.616 1.00 62.13 H new ATOM 0 HD13 ILE A 5 -4.143 13.102 -1.303 1.00 62.13 H new ATOM 95 N VAL A 6 -3.549 9.979 3.649 1.00 20.11 N ATOM 96 CA VAL A 6 -3.443 8.590 4.145 1.00 74.11 C ATOM 97 C VAL A 6 -3.894 8.483 5.620 1.00 42.54 C ATOM 98 O VAL A 6 -4.487 7.482 6.014 1.00 53.35 O ATOM 99 CB VAL A 6 -1.991 7.994 3.968 1.00 74.02 C ATOM 100 CG1 VAL A 6 -1.570 8.004 2.479 1.00 62.32 C ATOM 101 CG2 VAL A 6 -0.944 8.729 4.850 1.00 53.24 C ATOM 0 H VAL A 6 -2.645 10.431 3.514 1.00 20.11 H new ATOM 0 HA VAL A 6 -4.117 7.993 3.531 1.00 74.11 H new ATOM 0 HB VAL A 6 -2.023 6.959 4.309 1.00 74.02 H new ATOM 0 HG11 VAL A 6 -0.567 7.589 2.382 1.00 62.32 H new ATOM 0 HG12 VAL A 6 -2.270 7.402 1.899 1.00 62.32 H new ATOM 0 HG13 VAL A 6 -1.577 9.028 2.106 1.00 62.32 H new ATOM 0 HG21 VAL A 6 0.039 8.284 4.695 1.00 53.24 H new ATOM 0 HG22 VAL A 6 -0.913 9.783 4.575 1.00 53.24 H new ATOM 0 HG23 VAL A 6 -1.223 8.636 5.900 1.00 53.24 H new ATOM 111 N GLY A 7 -3.622 9.540 6.420 1.00 60.22 N ATOM 112 CA GLY A 7 -4.113 9.621 7.803 1.00 31.31 C ATOM 113 C GLY A 7 -5.644 9.669 7.884 1.00 13.11 C ATOM 114 O GLY A 7 -6.248 9.089 8.792 1.00 22.21 O ATOM 0 H GLY A 7 -3.066 10.343 6.127 1.00 60.22 H new ATOM 0 HA2 GLY A 7 -3.750 8.760 8.364 1.00 31.31 H new ATOM 0 HA3 GLY A 7 -3.700 10.510 8.280 1.00 31.31 H new ATOM 118 N ALA A 8 -6.260 10.373 6.915 1.00 35.40 N ATOM 119 CA ALA A 8 -7.726 10.461 6.773 1.00 71.20 C ATOM 120 C ALA A 8 -8.355 9.118 6.311 1.00 41.23 C ATOM 121 O ALA A 8 -9.222 8.565 6.994 1.00 33.42 O ATOM 122 CB ALA A 8 -8.084 11.594 5.793 1.00 41.54 C ATOM 0 H ALA A 8 -5.752 10.900 6.205 1.00 35.40 H new ATOM 0 HA ALA A 8 -8.144 10.682 7.755 1.00 71.20 H new ATOM 0 HB1 ALA A 8 -9.167 11.657 5.690 1.00 41.54 H new ATOM 0 HB2 ALA A 8 -7.700 12.540 6.175 1.00 41.54 H new ATOM 0 HB3 ALA A 8 -7.638 11.388 4.820 1.00 41.54 H new ATOM 128 N ASN A 9 -7.879 8.583 5.169 1.00 24.30 N ATOM 129 CA ASN A 9 -8.517 7.421 4.491 1.00 74.52 C ATOM 130 C ASN A 9 -8.192 6.052 5.155 1.00 63.13 C ATOM 131 O ASN A 9 -8.854 5.045 4.860 1.00 22.33 O ATOM 132 CB ASN A 9 -8.162 7.414 2.976 1.00 23.11 C ATOM 133 CG ASN A 9 -6.669 7.268 2.644 1.00 31.51 C ATOM 134 OD1 ASN A 9 -5.898 6.667 3.375 1.00 23.44 O ATOM 135 ND2 ASN A 9 -6.245 7.817 1.523 1.00 23.23 N ATOM 0 H ASN A 9 -7.050 8.935 4.689 1.00 24.30 H new ATOM 0 HA ASN A 9 -9.593 7.550 4.605 1.00 74.52 H new ATOM 0 HB2 ASN A 9 -8.703 6.598 2.498 1.00 23.11 H new ATOM 0 HB3 ASN A 9 -8.526 8.341 2.532 1.00 23.11 H new ATOM 0 HD21 ASN A 9 -5.263 7.742 1.258 1.00 23.23 H new ATOM 0 HD22 ASN A 9 -6.899 8.317 0.921 1.00 23.23 H new ATOM 142 N ALA A 10 -7.191 6.013 6.052 1.00 64.43 N ATOM 143 CA ALA A 10 -6.833 4.782 6.799 1.00 53.31 C ATOM 144 C ALA A 10 -7.916 4.411 7.836 1.00 45.53 C ATOM 145 O ALA A 10 -8.081 3.237 8.176 1.00 20.03 O ATOM 146 CB ALA A 10 -5.478 4.955 7.482 1.00 20.00 C ATOM 0 H ALA A 10 -6.611 6.820 6.282 1.00 64.43 H new ATOM 0 HA ALA A 10 -6.769 3.963 6.082 1.00 53.31 H new ATOM 0 HB1 ALA A 10 -5.226 4.045 8.027 1.00 20.00 H new ATOM 0 HB2 ALA A 10 -4.714 5.151 6.730 1.00 20.00 H new ATOM 0 HB3 ALA A 10 -5.525 5.793 8.177 1.00 20.00 H new ATOM 152 N GLY A 11 -8.641 5.431 8.326 1.00 15.41 N ATOM 153 CA GLY A 11 -9.737 5.231 9.280 1.00 0.10 C ATOM 154 C GLY A 11 -10.941 4.490 8.684 1.00 2.13 C ATOM 155 O GLY A 11 -11.475 3.563 9.305 1.00 21.53 O ATOM 0 H GLY A 11 -8.484 6.407 8.073 1.00 15.41 H new ATOM 0 HA2 GLY A 11 -9.364 4.671 10.137 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -10.066 6.201 9.652 1.00 0.10 H new ATOM 159 N LYS A 12 -11.360 4.897 7.466 1.00 0.25 N ATOM 160 CA LYS A 12 -12.521 4.287 6.769 1.00 53.51 C ATOM 161 C LYS A 12 -12.223 2.847 6.288 1.00 12.24 C ATOM 162 O LYS A 12 -13.095 1.974 6.384 1.00 55.12 O ATOM 163 CB LYS A 12 -13.012 5.179 5.585 1.00 44.03 C ATOM 164 CG LYS A 12 -11.964 5.474 4.495 1.00 74.11 C ATOM 165 CD LYS A 12 -12.504 6.303 3.292 1.00 72.33 C ATOM 166 CE LYS A 12 -12.818 7.782 3.605 1.00 73.54 C ATOM 167 NZ LYS A 12 -13.952 7.976 4.557 1.00 2.11 N ATOM 0 H LYS A 12 -10.912 5.648 6.941 1.00 0.25 H new ATOM 0 HA LYS A 12 -13.326 4.225 7.501 1.00 53.51 H new ATOM 0 HB2 LYS A 12 -13.869 4.693 5.118 1.00 44.03 H new ATOM 0 HB3 LYS A 12 -13.365 6.127 5.990 1.00 44.03 H new ATOM 0 HG2 LYS A 12 -11.130 6.012 4.946 1.00 74.11 H new ATOM 0 HG3 LYS A 12 -11.570 4.529 4.122 1.00 74.11 H new ATOM 0 HD2 LYS A 12 -11.770 6.266 2.487 1.00 72.33 H new ATOM 0 HD3 LYS A 12 -13.411 5.826 2.920 1.00 72.33 H new ATOM 0 HE2 LYS A 12 -11.926 8.252 4.019 1.00 73.54 H new ATOM 0 HE3 LYS A 12 -13.047 8.299 2.673 1.00 73.54 H new ATOM 0 HZ1 LYS A 12 -14.522 8.793 4.257 1.00 2.11 H new ATOM 0 HZ2 LYS A 12 -14.547 7.123 4.566 1.00 2.11 H new ATOM 0 HZ3 LYS A 12 -13.578 8.147 5.512 1.00 2.11 H new ATOM 181 N VAL A 13 -10.992 2.593 5.786 1.00 13.23 N ATOM 182 CA VAL A 13 -10.601 1.239 5.320 1.00 74.24 C ATOM 183 C VAL A 13 -10.465 0.254 6.509 1.00 4.23 C ATOM 184 O VAL A 13 -10.828 -0.918 6.394 1.00 43.43 O ATOM 185 CB VAL A 13 -9.285 1.243 4.440 1.00 14.44 C ATOM 186 CG1 VAL A 13 -9.429 2.181 3.216 1.00 71.32 C ATOM 187 CG2 VAL A 13 -8.024 1.596 5.260 1.00 23.11 C ATOM 0 H VAL A 13 -10.260 3.297 5.693 1.00 13.23 H new ATOM 0 HA VAL A 13 -11.408 0.895 4.673 1.00 74.24 H new ATOM 0 HB VAL A 13 -9.153 0.224 4.077 1.00 14.44 H new ATOM 0 HG11 VAL A 13 -8.509 2.161 2.632 1.00 71.32 H new ATOM 0 HG12 VAL A 13 -10.260 1.845 2.595 1.00 71.32 H new ATOM 0 HG13 VAL A 13 -9.620 3.198 3.558 1.00 71.32 H new ATOM 0 HG21 VAL A 13 -7.151 1.584 4.608 1.00 23.11 H new ATOM 0 HG22 VAL A 13 -8.139 2.589 5.695 1.00 23.11 H new ATOM 0 HG23 VAL A 13 -7.891 0.864 6.057 1.00 23.11 H new ATOM 197 N TRP A 14 -9.966 0.760 7.658 1.00 74.20 N ATOM 198 CA TRP A 14 -9.869 -0.028 8.910 1.00 1.23 C ATOM 199 C TRP A 14 -11.274 -0.313 9.498 1.00 15.35 C ATOM 200 O TRP A 14 -11.508 -1.363 10.107 1.00 72.31 O ATOM 201 CB TRP A 14 -8.967 0.683 9.954 1.00 31.22 C ATOM 202 CG TRP A 14 -8.580 -0.203 11.125 1.00 13.23 C ATOM 203 CD1 TRP A 14 -7.524 -1.071 11.195 1.00 30.41 C ATOM 204 CD2 TRP A 14 -9.265 -0.315 12.376 1.00 53.42 C ATOM 205 NE1 TRP A 14 -7.520 -1.707 12.410 1.00 55.20 N ATOM 206 CE2 TRP A 14 -8.579 -1.259 13.152 1.00 74.41 C ATOM 207 CE3 TRP A 14 -10.399 0.303 12.900 1.00 25.03 C ATOM 208 CZ2 TRP A 14 -8.993 -1.602 14.438 1.00 3.21 C ATOM 209 CZ3 TRP A 14 -10.816 -0.035 14.173 1.00 2.40 C ATOM 210 CH2 TRP A 14 -10.112 -0.980 14.933 1.00 33.14 C ATOM 0 H TRP A 14 -9.622 1.716 7.746 1.00 74.20 H new ATOM 0 HA TRP A 14 -9.405 -0.983 8.664 1.00 1.23 H new ATOM 0 HB2 TRP A 14 -8.061 1.035 9.460 1.00 31.22 H new ATOM 0 HB3 TRP A 14 -9.487 1.564 10.331 1.00 31.22 H new ATOM 0 HD1 TRP A 14 -6.801 -1.231 10.409 1.00 30.41 H new ATOM 0 HE1 TRP A 14 -6.837 -2.402 12.712 1.00 55.20 H new ATOM 0 HE3 TRP A 14 -10.943 1.034 12.320 1.00 25.03 H new ATOM 0 HZ2 TRP A 14 -8.453 -2.331 15.024 1.00 3.21 H new ATOM 0 HZ3 TRP A 14 -11.695 0.435 14.588 1.00 2.40 H new ATOM 0 HH2 TRP A 14 -10.457 -1.223 15.927 1.00 33.14 H new ATOM 221 N HIS A 15 -12.202 0.644 9.316 1.00 61.22 N ATOM 222 CA HIS A 15 -13.618 0.483 9.719 1.00 2.42 C ATOM 223 C HIS A 15 -14.319 -0.626 8.888 1.00 24.12 C ATOM 224 O HIS A 15 -15.190 -1.340 9.401 1.00 42.13 O ATOM 225 CB HIS A 15 -14.364 1.834 9.579 1.00 65.34 C ATOM 226 CG HIS A 15 -15.789 1.805 10.064 1.00 32.22 C ATOM 227 ND1 HIS A 15 -16.120 1.776 11.400 1.00 4.32 N ATOM 228 CD2 HIS A 15 -16.966 1.767 9.391 1.00 52.24 C ATOM 229 CE1 HIS A 15 -17.427 1.725 11.530 1.00 30.54 C ATOM 230 NE2 HIS A 15 -17.966 1.716 10.331 1.00 43.12 N ATOM 0 H HIS A 15 -11.997 1.547 8.888 1.00 61.22 H new ATOM 0 HA HIS A 15 -13.645 0.173 10.764 1.00 2.42 H new ATOM 0 HB2 HIS A 15 -13.818 2.597 10.134 1.00 65.34 H new ATOM 0 HB3 HIS A 15 -14.355 2.135 8.531 1.00 65.34 H new ATOM 0 HD2 HIS A 15 -17.093 1.775 8.319 1.00 52.24 H new ATOM 0 HE1 HIS A 15 -17.967 1.695 12.465 1.00 30.54 H new ATOM 0 HE2 HIS A 15 -18.965 1.677 10.131 1.00 43.12 H new ATOM 239 N ALA A 16 -13.921 -0.756 7.609 1.00 35.43 N ATOM 240 CA ALA A 16 -14.393 -1.844 6.717 1.00 72.22 C ATOM 241 C ALA A 16 -13.874 -3.231 7.185 1.00 12.04 C ATOM 242 O ALA A 16 -14.559 -4.246 7.031 1.00 33.22 O ATOM 243 CB ALA A 16 -13.959 -1.562 5.272 1.00 54.12 C ATOM 0 H ALA A 16 -13.266 -0.115 7.161 1.00 35.43 H new ATOM 0 HA ALA A 16 -15.482 -1.872 6.762 1.00 72.22 H new ATOM 0 HB1 ALA A 16 -14.309 -2.365 4.624 1.00 54.12 H new ATOM 0 HB2 ALA A 16 -14.387 -0.616 4.941 1.00 54.12 H new ATOM 0 HB3 ALA A 16 -12.872 -1.505 5.223 1.00 54.12 H new ATOM 249 N LEU A 17 -12.651 -3.248 7.752 1.00 55.42 N ATOM 250 CA LEU A 17 -12.037 -4.454 8.370 1.00 21.24 C ATOM 251 C LEU A 17 -12.718 -4.818 9.707 1.00 11.43 C ATOM 252 O LEU A 17 -12.802 -5.991 10.076 1.00 21.10 O ATOM 253 CB LEU A 17 -10.537 -4.192 8.627 1.00 14.12 C ATOM 254 CG LEU A 17 -9.706 -3.795 7.373 1.00 11.45 C ATOM 255 CD1 LEU A 17 -8.352 -3.206 7.773 1.00 44.41 C ATOM 256 CD2 LEU A 17 -9.530 -4.989 6.420 1.00 60.11 C ATOM 0 H LEU A 17 -12.053 -2.423 7.797 1.00 55.42 H new ATOM 0 HA LEU A 17 -12.169 -5.287 7.680 1.00 21.24 H new ATOM 0 HB2 LEU A 17 -10.446 -3.399 9.369 1.00 14.12 H new ATOM 0 HB3 LEU A 17 -10.098 -5.089 9.064 1.00 14.12 H new ATOM 0 HG LEU A 17 -10.261 -3.024 6.839 1.00 11.45 H new ATOM 0 HD11 LEU A 17 -7.793 -2.938 6.877 1.00 44.41 H new ATOM 0 HD12 LEU A 17 -8.508 -2.316 8.383 1.00 44.41 H new ATOM 0 HD13 LEU A 17 -7.789 -3.944 8.345 1.00 44.41 H new ATOM 0 HD21 LEU A 17 -8.945 -4.680 5.554 1.00 60.11 H new ATOM 0 HD22 LEU A 17 -9.011 -5.795 6.939 1.00 60.11 H new ATOM 0 HD23 LEU A 17 -10.508 -5.339 6.091 1.00 60.11 H new ATOM 268 N ASN A 18 -13.160 -3.783 10.443 1.00 1.10 N ATOM 269 CA ASN A 18 -13.893 -3.936 11.720 1.00 2.23 C ATOM 270 C ASN A 18 -15.329 -4.463 11.447 1.00 52.13 C ATOM 271 O ASN A 18 -15.908 -5.172 12.278 1.00 63.31 O ATOM 272 CB ASN A 18 -13.914 -2.562 12.462 1.00 65.55 C ATOM 273 CG ASN A 18 -14.166 -2.616 13.988 1.00 64.21 C ATOM 274 OD1 ASN A 18 -13.610 -1.815 14.735 1.00 51.41 O ATOM 275 ND2 ASN A 18 -15.014 -3.508 14.475 1.00 0.13 N ATOM 0 H ASN A 18 -13.020 -2.810 10.170 1.00 1.10 H new ATOM 0 HA ASN A 18 -13.392 -4.665 12.357 1.00 2.23 H new ATOM 0 HB2 ASN A 18 -12.960 -2.064 12.289 1.00 65.55 H new ATOM 0 HB3 ASN A 18 -14.685 -1.939 12.009 1.00 65.55 H new ATOM 0 HD21 ASN A 18 -15.209 -3.533 15.476 1.00 0.13 H new ATOM 0 HD22 ASN A 18 -15.472 -4.170 13.849 1.00 0.13 H new ATOM 282 N GLU A 19 -15.890 -4.109 10.271 1.00 22.22 N ATOM 283 CA GLU A 19 -17.205 -4.619 9.818 1.00 64.35 C ATOM 284 C GLU A 19 -17.071 -6.069 9.287 1.00 54.44 C ATOM 285 O GLU A 19 -17.923 -6.926 9.567 1.00 43.33 O ATOM 286 CB GLU A 19 -17.811 -3.692 8.724 1.00 52.13 C ATOM 287 CG GLU A 19 -19.232 -4.099 8.252 1.00 5.13 C ATOM 288 CD GLU A 19 -19.870 -3.106 7.261 1.00 34.11 C ATOM 289 OE1 GLU A 19 -20.331 -2.031 7.698 1.00 11.24 O ATOM 290 OE2 GLU A 19 -19.934 -3.396 6.050 1.00 14.03 O ATOM 0 H GLU A 19 -15.449 -3.467 9.612 1.00 22.22 H new ATOM 0 HA GLU A 19 -17.881 -4.624 10.673 1.00 64.35 H new ATOM 0 HB2 GLU A 19 -17.848 -2.673 9.109 1.00 52.13 H new ATOM 0 HB3 GLU A 19 -17.144 -3.684 7.862 1.00 52.13 H new ATOM 0 HG2 GLU A 19 -19.181 -5.082 7.784 1.00 5.13 H new ATOM 0 HG3 GLU A 19 -19.880 -4.194 9.123 1.00 5.13 H new ATOM 297 N ALA A 20 -15.986 -6.328 8.528 1.00 24.23 N ATOM 298 CA ALA A 20 -15.709 -7.658 7.939 1.00 61.24 C ATOM 299 C ALA A 20 -14.210 -7.821 7.576 1.00 42.10 C ATOM 300 O ALA A 20 -13.722 -7.209 6.621 1.00 73.43 O ATOM 301 CB ALA A 20 -16.597 -7.893 6.697 1.00 51.20 C ATOM 0 H ALA A 20 -15.280 -5.626 8.306 1.00 24.23 H new ATOM 0 HA ALA A 20 -15.949 -8.410 8.690 1.00 61.24 H new ATOM 0 HB1 ALA A 20 -16.381 -8.875 6.276 1.00 51.20 H new ATOM 0 HB2 ALA A 20 -17.647 -7.845 6.986 1.00 51.20 H new ATOM 0 HB3 ALA A 20 -16.390 -7.125 5.951 1.00 51.20 H new ATOM 307 N ASP A 21 -13.483 -8.633 8.365 1.00 52.31 N ATOM 308 CA ASP A 21 -12.075 -9.008 8.074 1.00 21.20 C ATOM 309 C ASP A 21 -12.005 -10.158 7.028 1.00 61.12 C ATOM 310 O ASP A 21 -13.042 -10.712 6.639 1.00 63.31 O ATOM 311 CB ASP A 21 -11.358 -9.401 9.390 1.00 24.23 C ATOM 312 CG ASP A 21 -11.984 -10.623 10.089 1.00 20.13 C ATOM 313 OD1 ASP A 21 -13.036 -10.468 10.746 1.00 34.11 O ATOM 314 OD2 ASP A 21 -11.434 -11.743 9.979 1.00 61.42 O ATOM 0 H ASP A 21 -13.848 -9.050 9.221 1.00 52.31 H new ATOM 0 HA ASP A 21 -11.564 -8.148 7.641 1.00 21.20 H new ATOM 0 HB2 ASP A 21 -10.311 -9.612 9.175 1.00 24.23 H new ATOM 0 HB3 ASP A 21 -11.378 -8.552 10.073 1.00 24.23 H new ATOM 319 N GLY A 22 -10.776 -10.523 6.595 1.00 11.05 N ATOM 320 CA GLY A 22 -10.587 -11.525 5.524 1.00 72.00 C ATOM 321 C GLY A 22 -11.144 -11.054 4.183 1.00 61.40 C ATOM 322 O GLY A 22 -11.783 -11.814 3.449 1.00 62.05 O ATOM 0 H GLY A 22 -9.907 -10.141 6.969 1.00 11.05 H new ATOM 0 HA2 GLY A 22 -9.524 -11.743 5.417 1.00 72.00 H new ATOM 0 HA3 GLY A 22 -11.076 -12.456 5.811 1.00 72.00 H new ATOM 326 N ILE A 23 -10.888 -9.778 3.873 1.00 22.40 N ATOM 327 CA ILE A 23 -11.522 -9.063 2.750 1.00 52.33 C ATOM 328 C ILE A 23 -10.471 -8.678 1.670 1.00 41.13 C ATOM 329 O ILE A 23 -9.309 -8.395 1.994 1.00 54.14 O ATOM 330 CB ILE A 23 -12.293 -7.803 3.314 1.00 4.12 C ATOM 331 CG1 ILE A 23 -13.141 -7.086 2.222 1.00 45.52 C ATOM 332 CG2 ILE A 23 -11.329 -6.809 3.997 1.00 24.24 C ATOM 333 CD1 ILE A 23 -14.112 -6.035 2.755 1.00 34.40 C ATOM 0 H ILE A 23 -10.229 -9.203 4.398 1.00 22.40 H new ATOM 0 HA ILE A 23 -12.242 -9.715 2.256 1.00 52.33 H new ATOM 0 HB ILE A 23 -12.987 -8.179 4.066 1.00 4.12 H new ATOM 0 HG12 ILE A 23 -12.465 -6.610 1.512 1.00 45.52 H new ATOM 0 HG13 ILE A 23 -13.707 -7.836 1.670 1.00 45.52 H new ATOM 0 HG21 ILE A 23 -11.893 -5.955 4.373 1.00 24.24 H new ATOM 0 HG22 ILE A 23 -10.824 -7.304 4.826 1.00 24.24 H new ATOM 0 HG23 ILE A 23 -10.589 -6.465 3.274 1.00 24.24 H new ATOM 0 HD11 ILE A 23 -14.658 -5.590 1.924 1.00 34.40 H new ATOM 0 HD12 ILE A 23 -14.816 -6.505 3.442 1.00 34.40 H new ATOM 0 HD13 ILE A 23 -13.556 -5.259 3.281 1.00 34.40 H new ATOM 345 N SER A 24 -10.883 -8.716 0.383 1.00 33.14 N ATOM 346 CA SER A 24 -9.994 -8.379 -0.767 1.00 64.44 C ATOM 347 C SER A 24 -9.875 -6.850 -0.941 1.00 64.21 C ATOM 348 O SER A 24 -10.819 -6.124 -0.627 1.00 72.32 O ATOM 349 CB SER A 24 -10.532 -9.023 -2.065 1.00 62.42 C ATOM 350 OG SER A 24 -9.662 -8.790 -3.164 1.00 43.32 O ATOM 0 H SER A 24 -11.830 -8.977 0.107 1.00 33.14 H new ATOM 0 HA SER A 24 -9.001 -8.778 -0.559 1.00 64.44 H new ATOM 0 HB2 SER A 24 -10.652 -10.096 -1.917 1.00 62.42 H new ATOM 0 HB3 SER A 24 -11.519 -8.620 -2.290 1.00 62.42 H new ATOM 0 HG SER A 24 -10.031 -9.212 -3.968 1.00 43.32 H new ATOM 356 N ILE A 25 -8.726 -6.376 -1.482 1.00 64.14 N ATOM 357 CA ILE A 25 -8.412 -4.920 -1.586 1.00 54.13 C ATOM 358 C ILE A 25 -9.479 -4.108 -2.422 1.00 55.32 C ATOM 359 O ILE A 25 -9.932 -3.063 -1.946 1.00 35.45 O ATOM 360 CB ILE A 25 -6.958 -4.650 -2.151 1.00 62.42 C ATOM 361 CG1 ILE A 25 -5.890 -5.465 -1.348 1.00 12.34 C ATOM 362 CG2 ILE A 25 -6.620 -3.134 -2.152 1.00 4.15 C ATOM 363 CD1 ILE A 25 -4.446 -5.298 -1.822 1.00 50.33 C ATOM 0 H ILE A 25 -7.995 -6.981 -1.856 1.00 64.14 H new ATOM 0 HA ILE A 25 -8.453 -4.555 -0.560 1.00 54.13 H new ATOM 0 HB ILE A 25 -6.936 -4.989 -3.187 1.00 62.42 H new ATOM 0 HG12 ILE A 25 -5.947 -5.172 -0.300 1.00 12.34 H new ATOM 0 HG13 ILE A 25 -6.151 -6.522 -1.398 1.00 12.34 H new ATOM 0 HG21 ILE A 25 -5.615 -2.986 -2.546 1.00 4.15 H new ATOM 0 HG22 ILE A 25 -7.337 -2.602 -2.777 1.00 4.15 H new ATOM 0 HG23 ILE A 25 -6.671 -2.749 -1.133 1.00 4.15 H new ATOM 0 HD11 ILE A 25 -3.787 -5.904 -1.200 1.00 50.33 H new ATOM 0 HD12 ILE A 25 -4.364 -5.621 -2.860 1.00 50.33 H new ATOM 0 HD13 ILE A 25 -4.156 -4.250 -1.744 1.00 50.33 H new ATOM 375 N PRO A 26 -9.928 -4.573 -3.654 1.00 63.40 N ATOM 376 CA PRO A 26 -11.014 -3.880 -4.418 1.00 64.23 C ATOM 377 C PRO A 26 -12.404 -3.953 -3.723 1.00 50.52 C ATOM 378 O PRO A 26 -13.273 -3.103 -3.964 1.00 70.03 O ATOM 379 CB PRO A 26 -11.031 -4.630 -5.783 1.00 33.43 C ATOM 380 CG PRO A 26 -10.492 -5.989 -5.465 1.00 63.20 C ATOM 381 CD PRO A 26 -9.422 -5.753 -4.422 1.00 71.44 C ATOM 0 HA PRO A 26 -10.821 -2.811 -4.505 1.00 64.23 H new ATOM 0 HB2 PRO A 26 -12.039 -4.688 -6.192 1.00 33.43 H new ATOM 0 HB3 PRO A 26 -10.415 -4.121 -6.524 1.00 33.43 H new ATOM 0 HG2 PRO A 26 -11.275 -6.645 -5.085 1.00 63.20 H new ATOM 0 HG3 PRO A 26 -10.079 -6.467 -6.353 1.00 63.20 H new ATOM 0 HD2 PRO A 26 -9.291 -6.623 -3.779 1.00 71.44 H new ATOM 0 HD3 PRO A 26 -8.455 -5.547 -4.880 1.00 71.44 H new ATOM 389 N GLU A 27 -12.581 -4.965 -2.849 1.00 4.55 N ATOM 390 CA GLU A 27 -13.857 -5.237 -2.162 1.00 22.13 C ATOM 391 C GLU A 27 -14.161 -4.173 -1.077 1.00 24.33 C ATOM 392 O GLU A 27 -15.279 -3.653 -1.018 1.00 2.52 O ATOM 393 CB GLU A 27 -13.827 -6.663 -1.553 1.00 42.44 C ATOM 394 CG GLU A 27 -15.171 -7.159 -0.968 1.00 12.42 C ATOM 395 CD GLU A 27 -15.107 -8.547 -0.294 1.00 14.25 C ATOM 396 OE1 GLU A 27 -14.083 -9.260 -0.430 1.00 60.25 O ATOM 397 OE2 GLU A 27 -16.083 -8.927 0.390 1.00 64.51 O ATOM 0 H GLU A 27 -11.838 -5.618 -2.600 1.00 4.55 H new ATOM 0 HA GLU A 27 -14.662 -5.180 -2.895 1.00 22.13 H new ATOM 0 HB2 GLU A 27 -13.504 -7.363 -2.324 1.00 42.44 H new ATOM 0 HB3 GLU A 27 -13.075 -6.688 -0.765 1.00 42.44 H new ATOM 0 HG2 GLU A 27 -15.525 -6.431 -0.238 1.00 12.42 H new ATOM 0 HG3 GLU A 27 -15.910 -7.192 -1.768 1.00 12.42 H new ATOM 404 N LEU A 28 -13.180 -3.862 -0.193 1.00 63.12 N ATOM 405 CA LEU A 28 -13.329 -2.732 0.766 1.00 63.24 C ATOM 406 C LEU A 28 -13.163 -1.360 0.069 1.00 61.44 C ATOM 407 O LEU A 28 -13.744 -0.378 0.526 1.00 71.50 O ATOM 408 CB LEU A 28 -12.443 -2.830 2.041 1.00 51.34 C ATOM 409 CG LEU A 28 -10.901 -2.621 1.903 1.00 55.22 C ATOM 410 CD1 LEU A 28 -10.290 -2.205 3.253 1.00 35.23 C ATOM 411 CD2 LEU A 28 -10.198 -3.875 1.367 1.00 60.43 C ATOM 0 H LEU A 28 -12.295 -4.364 -0.122 1.00 63.12 H new ATOM 0 HA LEU A 28 -14.354 -2.817 1.128 1.00 63.24 H new ATOM 0 HB2 LEU A 28 -12.813 -2.096 2.757 1.00 51.34 H new ATOM 0 HB3 LEU A 28 -12.605 -3.814 2.481 1.00 51.34 H new ATOM 0 HG LEU A 28 -10.746 -1.821 1.179 1.00 55.22 H new ATOM 0 HD11 LEU A 28 -9.215 -2.064 3.138 1.00 35.23 H new ATOM 0 HD12 LEU A 28 -10.745 -1.272 3.586 1.00 35.23 H new ATOM 0 HD13 LEU A 28 -10.476 -2.984 3.992 1.00 35.23 H new ATOM 0 HD21 LEU A 28 -9.128 -3.686 1.287 1.00 60.43 H new ATOM 0 HD22 LEU A 28 -10.369 -4.708 2.049 1.00 60.43 H new ATOM 0 HD23 LEU A 28 -10.597 -4.124 0.384 1.00 60.43 H new ATOM 423 N ALA A 29 -12.353 -1.298 -1.021 1.00 13.00 N ATOM 424 CA ALA A 29 -12.134 -0.049 -1.816 1.00 24.22 C ATOM 425 C ALA A 29 -13.452 0.627 -2.276 1.00 51.03 C ATOM 426 O ALA A 29 -13.605 1.848 -2.171 1.00 31.13 O ATOM 427 CB ALA A 29 -11.249 -0.335 -3.040 1.00 42.21 C ATOM 0 H ALA A 29 -11.835 -2.102 -1.375 1.00 13.00 H new ATOM 0 HA ALA A 29 -11.632 0.649 -1.146 1.00 24.22 H new ATOM 0 HB1 ALA A 29 -11.101 0.585 -3.605 1.00 42.21 H new ATOM 0 HB2 ALA A 29 -10.283 -0.717 -2.709 1.00 42.21 H new ATOM 0 HB3 ALA A 29 -11.734 -1.077 -3.675 1.00 42.21 H new ATOM 433 N ARG A 30 -14.393 -0.181 -2.783 1.00 61.02 N ATOM 434 CA ARG A 30 -15.720 0.310 -3.237 1.00 22.23 C ATOM 435 C ARG A 30 -16.617 0.753 -2.048 1.00 25.15 C ATOM 436 O ARG A 30 -17.436 1.671 -2.186 1.00 0.31 O ATOM 437 CB ARG A 30 -16.418 -0.779 -4.092 1.00 63.30 C ATOM 438 CG ARG A 30 -16.771 -2.082 -3.342 1.00 51.50 C ATOM 439 CD ARG A 30 -17.174 -3.232 -4.286 1.00 42.44 C ATOM 440 NE ARG A 30 -16.059 -3.631 -5.174 1.00 41.52 N ATOM 441 CZ ARG A 30 -15.697 -4.871 -5.448 1.00 52.14 C ATOM 442 NH1 ARG A 30 -16.364 -5.889 -4.990 1.00 50.32 N ATOM 443 NH2 ARG A 30 -14.660 -5.077 -6.191 1.00 73.12 N ATOM 0 H ARG A 30 -14.267 -1.187 -2.893 1.00 61.02 H new ATOM 0 HA ARG A 30 -15.561 1.196 -3.852 1.00 22.23 H new ATOM 0 HB2 ARG A 30 -17.334 -0.359 -4.508 1.00 63.30 H new ATOM 0 HB3 ARG A 30 -15.771 -1.027 -4.933 1.00 63.30 H new ATOM 0 HG2 ARG A 30 -15.914 -2.394 -2.744 1.00 51.50 H new ATOM 0 HG3 ARG A 30 -17.589 -1.885 -2.649 1.00 51.50 H new ATOM 0 HD2 ARG A 30 -17.494 -4.091 -3.696 1.00 42.44 H new ATOM 0 HD3 ARG A 30 -18.027 -2.924 -4.890 1.00 42.44 H new ATOM 0 HE ARG A 30 -15.523 -2.882 -5.613 1.00 41.52 H new ATOM 0 HH11 ARG A 30 -17.186 -5.739 -4.405 1.00 50.32 H new ATOM 0 HH12 ARG A 30 -16.065 -6.838 -5.215 1.00 50.32 H new ATOM 0 HH21 ARG A 30 -14.131 -4.286 -6.559 1.00 73.12 H new ATOM 0 HH22 ARG A 30 -14.370 -6.030 -6.410 1.00 73.12 H new ATOM 457 N LYS A 31 -16.431 0.109 -0.877 1.00 55.34 N ATOM 458 CA LYS A 31 -17.162 0.447 0.372 1.00 34.03 C ATOM 459 C LYS A 31 -16.726 1.834 0.899 1.00 62.51 C ATOM 460 O LYS A 31 -17.552 2.661 1.291 1.00 34.31 O ATOM 461 CB LYS A 31 -16.886 -0.631 1.457 1.00 63.42 C ATOM 462 CG LYS A 31 -17.336 -2.056 1.077 1.00 21.13 C ATOM 463 CD LYS A 31 -16.968 -3.115 2.150 1.00 12.01 C ATOM 464 CE LYS A 31 -17.514 -2.779 3.551 1.00 25.21 C ATOM 465 NZ LYS A 31 -18.986 -2.580 3.545 1.00 71.12 N ATOM 0 H LYS A 31 -15.771 -0.661 -0.766 1.00 55.34 H new ATOM 0 HA LYS A 31 -18.229 0.474 0.149 1.00 34.03 H new ATOM 0 HB2 LYS A 31 -15.817 -0.647 1.671 1.00 63.42 H new ATOM 0 HB3 LYS A 31 -17.391 -0.338 2.378 1.00 63.42 H new ATOM 0 HG2 LYS A 31 -18.415 -2.062 0.924 1.00 21.13 H new ATOM 0 HG3 LYS A 31 -16.878 -2.335 0.128 1.00 21.13 H new ATOM 0 HD2 LYS A 31 -17.355 -4.086 1.840 1.00 12.01 H new ATOM 0 HD3 LYS A 31 -15.883 -3.207 2.203 1.00 12.01 H new ATOM 0 HE2 LYS A 31 -17.260 -3.584 4.241 1.00 25.21 H new ATOM 0 HE3 LYS A 31 -17.028 -1.876 3.922 1.00 25.21 H new ATOM 0 HZ1 LYS A 31 -19.396 -2.997 4.405 1.00 71.12 H new ATOM 0 HZ2 LYS A 31 -19.199 -1.562 3.518 1.00 71.12 H new ATOM 0 HZ3 LYS A 31 -19.395 -3.041 2.708 1.00 71.12 H new ATOM 479 N VAL A 32 -15.406 2.060 0.883 1.00 30.45 N ATOM 480 CA VAL A 32 -14.772 3.317 1.346 1.00 64.24 C ATOM 481 C VAL A 32 -14.716 4.382 0.221 1.00 45.14 C ATOM 482 O VAL A 32 -14.239 5.506 0.441 1.00 43.44 O ATOM 483 CB VAL A 32 -13.341 3.000 1.903 1.00 53.40 C ATOM 484 CG1 VAL A 32 -13.416 1.913 3.004 1.00 13.23 C ATOM 485 CG2 VAL A 32 -12.358 2.586 0.785 1.00 62.50 C ATOM 0 H VAL A 32 -14.734 1.371 0.545 1.00 30.45 H new ATOM 0 HA VAL A 32 -15.381 3.742 2.144 1.00 64.24 H new ATOM 0 HB VAL A 32 -12.952 3.918 2.343 1.00 53.40 H new ATOM 0 HG11 VAL A 32 -12.414 1.705 3.379 1.00 13.23 H new ATOM 0 HG12 VAL A 32 -14.044 2.266 3.822 1.00 13.23 H new ATOM 0 HG13 VAL A 32 -13.843 1.001 2.587 1.00 13.23 H new ATOM 0 HG21 VAL A 32 -11.380 2.376 1.219 1.00 62.50 H new ATOM 0 HG22 VAL A 32 -12.732 1.693 0.284 1.00 62.50 H new ATOM 0 HG23 VAL A 32 -12.268 3.396 0.062 1.00 62.50 H new ATOM 495 N ASN A 33 -15.202 3.993 -0.987 1.00 74.24 N ATOM 496 CA ASN A 33 -15.356 4.878 -2.172 1.00 24.12 C ATOM 497 C ASN A 33 -13.997 5.401 -2.719 1.00 21.10 C ATOM 498 O ASN A 33 -13.945 6.412 -3.431 1.00 4.25 O ATOM 499 CB ASN A 33 -16.362 6.034 -1.875 1.00 10.43 C ATOM 500 CG ASN A 33 -17.754 5.518 -1.491 1.00 32.21 C ATOM 501 OD1 ASN A 33 -18.056 5.302 -0.323 1.00 42.51 O ATOM 502 ND2 ASN A 33 -18.610 5.302 -2.472 1.00 71.42 N ATOM 0 H ASN A 33 -15.504 3.036 -1.168 1.00 74.24 H new ATOM 0 HA ASN A 33 -15.776 4.270 -2.974 1.00 24.12 H new ATOM 0 HB2 ASN A 33 -15.972 6.652 -1.067 1.00 10.43 H new ATOM 0 HB3 ASN A 33 -16.445 6.674 -2.754 1.00 10.43 H new ATOM 0 HD21 ASN A 33 -19.544 4.948 -2.265 1.00 71.42 H new ATOM 0 HD22 ASN A 33 -18.337 5.489 -3.437 1.00 71.42 H new ATOM 509 N LEU A 34 -12.906 4.671 -2.426 1.00 24.45 N ATOM 510 CA LEU A 34 -11.552 4.965 -2.958 1.00 52.25 C ATOM 511 C LEU A 34 -11.194 4.015 -4.127 1.00 12.54 C ATOM 512 O LEU A 34 -11.894 3.028 -4.384 1.00 72.41 O ATOM 513 CB LEU A 34 -10.494 4.811 -1.833 1.00 12.21 C ATOM 514 CG LEU A 34 -10.715 5.670 -0.551 1.00 62.53 C ATOM 515 CD1 LEU A 34 -9.687 5.295 0.533 1.00 12.21 C ATOM 516 CD2 LEU A 34 -10.679 7.184 -0.868 1.00 32.52 C ATOM 0 H LEU A 34 -12.933 3.857 -1.812 1.00 24.45 H new ATOM 0 HA LEU A 34 -11.553 5.990 -3.328 1.00 52.25 H new ATOM 0 HB2 LEU A 34 -10.458 3.762 -1.539 1.00 12.21 H new ATOM 0 HB3 LEU A 34 -9.517 5.060 -2.247 1.00 12.21 H new ATOM 0 HG LEU A 34 -11.710 5.450 -0.164 1.00 62.53 H new ATOM 0 HD11 LEU A 34 -9.856 5.904 1.421 1.00 12.21 H new ATOM 0 HD12 LEU A 34 -9.797 4.241 0.790 1.00 12.21 H new ATOM 0 HD13 LEU A 34 -8.680 5.474 0.157 1.00 12.21 H new ATOM 0 HD21 LEU A 34 -10.837 7.752 0.049 1.00 32.52 H new ATOM 0 HD22 LEU A 34 -9.710 7.444 -1.293 1.00 32.52 H new ATOM 0 HD23 LEU A 34 -11.465 7.425 -1.583 1.00 32.52 H new ATOM 528 N SER A 35 -10.107 4.346 -4.839 1.00 14.11 N ATOM 529 CA SER A 35 -9.487 3.438 -5.833 1.00 71.01 C ATOM 530 C SER A 35 -8.768 2.260 -5.130 1.00 74.31 C ATOM 531 O SER A 35 -8.384 2.376 -3.959 1.00 23.40 O ATOM 532 CB SER A 35 -8.487 4.217 -6.717 1.00 40.33 C ATOM 533 OG SER A 35 -9.121 5.301 -7.373 1.00 31.42 O ATOM 0 H SER A 35 -9.630 5.243 -4.748 1.00 14.11 H new ATOM 0 HA SER A 35 -10.278 3.032 -6.464 1.00 71.01 H new ATOM 0 HB2 SER A 35 -7.667 4.589 -6.102 1.00 40.33 H new ATOM 0 HB3 SER A 35 -8.051 3.545 -7.457 1.00 40.33 H new ATOM 0 HG SER A 35 -8.466 5.778 -7.924 1.00 31.42 H new ATOM 539 N VAL A 36 -8.581 1.137 -5.855 1.00 21.34 N ATOM 540 CA VAL A 36 -7.925 -0.086 -5.312 1.00 64.44 C ATOM 541 C VAL A 36 -6.494 0.215 -4.784 1.00 32.23 C ATOM 542 O VAL A 36 -6.141 -0.167 -3.666 1.00 63.34 O ATOM 543 CB VAL A 36 -7.867 -1.222 -6.401 1.00 72.24 C ATOM 544 CG1 VAL A 36 -7.253 -2.532 -5.841 1.00 41.24 C ATOM 545 CG2 VAL A 36 -9.268 -1.481 -7.009 1.00 61.32 C ATOM 0 H VAL A 36 -8.876 1.046 -6.827 1.00 21.34 H new ATOM 0 HA VAL A 36 -8.531 -0.429 -4.473 1.00 64.44 H new ATOM 0 HB VAL A 36 -7.209 -0.872 -7.197 1.00 72.24 H new ATOM 0 HG11 VAL A 36 -7.232 -3.288 -6.625 1.00 41.24 H new ATOM 0 HG12 VAL A 36 -6.237 -2.339 -5.496 1.00 41.24 H new ATOM 0 HG13 VAL A 36 -7.858 -2.890 -5.008 1.00 41.24 H new ATOM 0 HG21 VAL A 36 -9.199 -2.270 -7.758 1.00 61.32 H new ATOM 0 HG22 VAL A 36 -9.956 -1.788 -6.221 1.00 61.32 H new ATOM 0 HG23 VAL A 36 -9.636 -0.568 -7.477 1.00 61.32 H new ATOM 555 N GLU A 37 -5.695 0.920 -5.606 1.00 13.35 N ATOM 556 CA GLU A 37 -4.318 1.353 -5.238 1.00 11.31 C ATOM 557 C GLU A 37 -4.302 2.347 -4.041 1.00 3.34 C ATOM 558 O GLU A 37 -3.420 2.274 -3.178 1.00 25.34 O ATOM 559 CB GLU A 37 -3.612 1.983 -6.465 1.00 41.55 C ATOM 560 CG GLU A 37 -3.456 1.030 -7.665 1.00 54.31 C ATOM 561 CD GLU A 37 -2.698 1.656 -8.849 1.00 52.33 C ATOM 562 OE1 GLU A 37 -3.224 2.606 -9.471 1.00 11.15 O ATOM 563 OE2 GLU A 37 -1.575 1.208 -9.166 1.00 5.42 O ATOM 0 H GLU A 37 -5.977 1.209 -6.543 1.00 13.35 H new ATOM 0 HA GLU A 37 -3.777 0.462 -4.920 1.00 11.31 H new ATOM 0 HB2 GLU A 37 -4.176 2.860 -6.783 1.00 41.55 H new ATOM 0 HB3 GLU A 37 -2.625 2.332 -6.162 1.00 41.55 H new ATOM 0 HG2 GLU A 37 -2.930 0.132 -7.340 1.00 54.31 H new ATOM 0 HG3 GLU A 37 -4.444 0.716 -8.001 1.00 54.31 H new ATOM 570 N SER A 38 -5.286 3.265 -4.003 1.00 33.32 N ATOM 571 CA SER A 38 -5.449 4.256 -2.899 1.00 23.43 C ATOM 572 C SER A 38 -5.807 3.569 -1.557 1.00 62.43 C ATOM 573 O SER A 38 -5.442 4.053 -0.477 1.00 54.53 O ATOM 574 CB SER A 38 -6.541 5.287 -3.269 1.00 43.34 C ATOM 575 OG SER A 38 -6.226 5.951 -4.484 1.00 12.25 O ATOM 0 H SER A 38 -5.995 3.348 -4.732 1.00 33.32 H new ATOM 0 HA SER A 38 -4.494 4.765 -2.769 1.00 23.43 H new ATOM 0 HB2 SER A 38 -7.503 4.784 -3.365 1.00 43.34 H new ATOM 0 HB3 SER A 38 -6.642 6.018 -2.467 1.00 43.34 H new ATOM 0 HG SER A 38 -6.932 6.596 -4.697 1.00 12.25 H new ATOM 581 N THR A 39 -6.523 2.439 -1.647 1.00 64.22 N ATOM 582 CA THR A 39 -6.906 1.610 -0.479 1.00 14.00 C ATOM 583 C THR A 39 -5.712 0.757 0.015 1.00 4.44 C ATOM 584 O THR A 39 -5.462 0.685 1.217 1.00 60.32 O ATOM 585 CB THR A 39 -8.121 0.690 -0.833 1.00 41.03 C ATOM 586 OG1 THR A 39 -9.247 1.511 -1.184 1.00 31.11 O ATOM 587 CG2 THR A 39 -8.528 -0.255 0.314 1.00 73.31 C ATOM 0 H THR A 39 -6.858 2.066 -2.535 1.00 64.22 H new ATOM 0 HA THR A 39 -7.199 2.282 0.327 1.00 14.00 H new ATOM 0 HB THR A 39 -7.809 0.062 -1.668 1.00 41.03 H new ATOM 0 HG1 THR A 39 -9.123 1.866 -2.089 1.00 31.11 H new ATOM 0 HG21 THR A 39 -9.376 -0.864 0.000 1.00 73.31 H new ATOM 0 HG22 THR A 39 -7.689 -0.904 0.566 1.00 73.31 H new ATOM 0 HG23 THR A 39 -8.807 0.333 1.188 1.00 73.31 H new ATOM 595 N ALA A 40 -4.971 0.131 -0.928 1.00 22.22 N ATOM 596 CA ALA A 40 -3.749 -0.672 -0.613 1.00 20.41 C ATOM 597 C ALA A 40 -2.654 0.194 0.072 1.00 15.23 C ATOM 598 O ALA A 40 -1.894 -0.287 0.924 1.00 60.32 O ATOM 599 CB ALA A 40 -3.202 -1.313 -1.898 1.00 34.23 C ATOM 0 H ALA A 40 -5.194 0.163 -1.923 1.00 22.22 H new ATOM 0 HA ALA A 40 -4.031 -1.456 0.090 1.00 20.41 H new ATOM 0 HB1 ALA A 40 -2.312 -1.897 -1.663 1.00 34.23 H new ATOM 0 HB2 ALA A 40 -3.960 -1.966 -2.330 1.00 34.23 H new ATOM 0 HB3 ALA A 40 -2.945 -0.532 -2.613 1.00 34.23 H new ATOM 605 N LEU A 41 -2.602 1.475 -0.330 1.00 71.24 N ATOM 606 CA LEU A 41 -1.761 2.521 0.301 1.00 23.55 C ATOM 607 C LEU A 41 -2.152 2.688 1.801 1.00 54.41 C ATOM 608 O LEU A 41 -1.305 2.598 2.700 1.00 31.54 O ATOM 609 CB LEU A 41 -1.980 3.867 -0.468 1.00 2.13 C ATOM 610 CG LEU A 41 -0.829 4.936 -0.496 1.00 61.31 C ATOM 611 CD1 LEU A 41 -1.386 6.297 -0.962 1.00 64.22 C ATOM 612 CD2 LEU A 41 -0.069 5.071 0.843 1.00 20.51 C ATOM 0 H LEU A 41 -3.151 1.825 -1.116 1.00 71.24 H new ATOM 0 HA LEU A 41 -0.711 2.234 0.251 1.00 23.55 H new ATOM 0 HB2 LEU A 41 -2.220 3.618 -1.502 1.00 2.13 H new ATOM 0 HB3 LEU A 41 -2.862 4.347 -0.043 1.00 2.13 H new ATOM 0 HG LEU A 41 -0.088 4.580 -1.212 1.00 61.31 H new ATOM 0 HD11 LEU A 41 -0.582 7.033 -0.979 1.00 64.22 H new ATOM 0 HD12 LEU A 41 -1.805 6.195 -1.963 1.00 64.22 H new ATOM 0 HD13 LEU A 41 -2.165 6.626 -0.274 1.00 64.22 H new ATOM 0 HD21 LEU A 41 0.710 5.827 0.745 1.00 20.51 H new ATOM 0 HD22 LEU A 41 -0.765 5.366 1.628 1.00 20.51 H new ATOM 0 HD23 LEU A 41 0.385 4.114 1.102 1.00 20.51 H new ATOM 624 N ALA A 42 -3.460 2.918 2.028 1.00 4.42 N ATOM 625 CA ALA A 42 -4.039 3.141 3.373 1.00 24.04 C ATOM 626 C ALA A 42 -3.840 1.921 4.308 1.00 54.14 C ATOM 627 O ALA A 42 -3.672 2.074 5.522 1.00 40.54 O ATOM 628 CB ALA A 42 -5.528 3.480 3.235 1.00 1.13 C ATOM 0 H ALA A 42 -4.152 2.955 1.279 1.00 4.42 H new ATOM 0 HA ALA A 42 -3.512 3.977 3.833 1.00 24.04 H new ATOM 0 HB1 ALA A 42 -5.957 3.645 4.223 1.00 1.13 H new ATOM 0 HB2 ALA A 42 -5.641 4.383 2.635 1.00 1.13 H new ATOM 0 HB3 ALA A 42 -6.046 2.654 2.748 1.00 1.13 H new ATOM 634 N VAL A 43 -3.842 0.714 3.714 1.00 70.24 N ATOM 635 CA VAL A 43 -3.578 -0.554 4.444 1.00 32.13 C ATOM 636 C VAL A 43 -2.101 -0.633 4.915 1.00 22.53 C ATOM 637 O VAL A 43 -1.825 -1.078 6.034 1.00 4.45 O ATOM 638 CB VAL A 43 -3.945 -1.809 3.560 1.00 44.13 C ATOM 639 CG1 VAL A 43 -3.529 -3.145 4.233 1.00 12.11 C ATOM 640 CG2 VAL A 43 -5.458 -1.820 3.213 1.00 50.12 C ATOM 0 H VAL A 43 -4.025 0.583 2.719 1.00 70.24 H new ATOM 0 HA VAL A 43 -4.217 -0.562 5.327 1.00 32.13 H new ATOM 0 HB VAL A 43 -3.375 -1.722 2.635 1.00 44.13 H new ATOM 0 HG11 VAL A 43 -3.803 -3.979 3.586 1.00 12.11 H new ATOM 0 HG12 VAL A 43 -2.451 -3.150 4.396 1.00 12.11 H new ATOM 0 HG13 VAL A 43 -4.041 -3.245 5.190 1.00 12.11 H new ATOM 0 HG21 VAL A 43 -5.685 -2.695 2.603 1.00 50.12 H new ATOM 0 HG22 VAL A 43 -6.042 -1.857 4.133 1.00 50.12 H new ATOM 0 HG23 VAL A 43 -5.711 -0.916 2.659 1.00 50.12 H new ATOM 650 N GLY A 44 -1.167 -0.175 4.056 1.00 61.34 N ATOM 651 CA GLY A 44 0.261 -0.063 4.425 1.00 14.14 C ATOM 652 C GLY A 44 0.513 0.937 5.567 1.00 24.52 C ATOM 653 O GLY A 44 1.428 0.756 6.383 1.00 40.50 O ATOM 0 H GLY A 44 -1.375 0.123 3.103 1.00 61.34 H new ATOM 0 HA2 GLY A 44 0.632 -1.044 4.721 1.00 14.14 H new ATOM 0 HA3 GLY A 44 0.833 0.243 3.549 1.00 14.14 H new ATOM 657 N TRP A 45 -0.328 1.991 5.623 1.00 54.34 N ATOM 658 CA TRP A 45 -0.294 3.011 6.697 1.00 14.31 C ATOM 659 C TRP A 45 -0.809 2.438 8.052 1.00 72.20 C ATOM 660 O TRP A 45 -0.412 2.895 9.130 1.00 31.44 O ATOM 661 CB TRP A 45 -1.122 4.255 6.261 1.00 24.15 C ATOM 662 CG TRP A 45 -1.049 5.427 7.225 1.00 44.33 C ATOM 663 CD1 TRP A 45 -2.061 5.954 7.977 1.00 1.21 C ATOM 664 CD2 TRP A 45 0.120 6.193 7.547 1.00 50.45 C ATOM 665 NE1 TRP A 45 -1.598 7.005 8.724 1.00 45.23 N ATOM 666 CE2 TRP A 45 -0.267 7.166 8.485 1.00 2.22 C ATOM 667 CE3 TRP A 45 1.451 6.149 7.131 1.00 4.51 C ATOM 668 CZ2 TRP A 45 0.625 8.091 9.007 1.00 21.30 C ATOM 669 CZ3 TRP A 45 2.340 7.062 7.660 1.00 14.14 C ATOM 670 CH2 TRP A 45 1.924 8.020 8.590 1.00 42.51 C ATOM 0 H TRP A 45 -1.052 2.161 4.924 1.00 54.34 H new ATOM 0 HA TRP A 45 0.742 3.312 6.856 1.00 14.31 H new ATOM 0 HB2 TRP A 45 -0.773 4.583 5.282 1.00 24.15 H new ATOM 0 HB3 TRP A 45 -2.165 3.960 6.145 1.00 24.15 H new ATOM 0 HD1 TRP A 45 -3.079 5.594 7.982 1.00 1.21 H new ATOM 0 HE1 TRP A 45 -2.159 7.575 9.357 1.00 45.23 H new ATOM 0 HE3 TRP A 45 1.779 5.415 6.410 1.00 4.51 H new ATOM 0 HZ2 TRP A 45 0.305 8.839 9.717 1.00 21.30 H new ATOM 0 HZ3 TRP A 45 3.374 7.036 7.351 1.00 14.14 H new ATOM 0 HH2 TRP A 45 2.645 8.719 8.987 1.00 42.51 H new ATOM 681 N LEU A 46 -1.733 1.467 7.981 1.00 44.15 N ATOM 682 CA LEU A 46 -2.187 0.677 9.155 1.00 3.34 C ATOM 683 C LEU A 46 -1.137 -0.393 9.590 1.00 74.25 C ATOM 684 O LEU A 46 -0.976 -0.667 10.787 1.00 31.44 O ATOM 685 CB LEU A 46 -3.546 0.001 8.826 1.00 2.33 C ATOM 686 CG LEU A 46 -4.713 0.967 8.444 1.00 15.14 C ATOM 687 CD1 LEU A 46 -5.955 0.191 7.968 1.00 52.40 C ATOM 688 CD2 LEU A 46 -5.056 1.915 9.609 1.00 1.44 C ATOM 0 H LEU A 46 -2.192 1.201 7.110 1.00 44.15 H new ATOM 0 HA LEU A 46 -2.307 1.361 9.995 1.00 3.34 H new ATOM 0 HB2 LEU A 46 -3.393 -0.697 8.002 1.00 2.33 H new ATOM 0 HB3 LEU A 46 -3.855 -0.588 9.689 1.00 2.33 H new ATOM 0 HG LEU A 46 -4.372 1.579 7.609 1.00 15.14 H new ATOM 0 HD11 LEU A 46 -6.747 0.894 7.711 1.00 52.40 H new ATOM 0 HD12 LEU A 46 -5.699 -0.404 7.091 1.00 52.40 H new ATOM 0 HD13 LEU A 46 -6.300 -0.468 8.765 1.00 52.40 H new ATOM 0 HD21 LEU A 46 -5.871 2.575 9.313 1.00 1.44 H new ATOM 0 HD22 LEU A 46 -5.360 1.330 10.477 1.00 1.44 H new ATOM 0 HD23 LEU A 46 -4.180 2.512 9.862 1.00 1.44 H new ATOM 700 N ALA A 47 -0.472 -1.023 8.591 1.00 63.31 N ATOM 701 CA ALA A 47 0.531 -2.118 8.789 1.00 41.14 C ATOM 702 C ALA A 47 1.735 -1.720 9.677 1.00 5.35 C ATOM 703 O ALA A 47 2.249 -2.545 10.453 1.00 24.04 O ATOM 704 CB ALA A 47 1.026 -2.613 7.414 1.00 32.21 C ATOM 0 H ALA A 47 -0.614 -0.787 7.609 1.00 63.31 H new ATOM 0 HA ALA A 47 0.018 -2.916 9.327 1.00 41.14 H new ATOM 0 HB1 ALA A 47 1.756 -3.410 7.555 1.00 32.21 H new ATOM 0 HB2 ALA A 47 0.182 -2.992 6.838 1.00 32.21 H new ATOM 0 HB3 ALA A 47 1.490 -1.787 6.876 1.00 32.21 H new ATOM 710 N ARG A 48 2.185 -0.463 9.536 1.00 10.40 N ATOM 711 CA ARG A 48 3.271 0.107 10.379 1.00 51.03 C ATOM 712 C ARG A 48 2.890 0.109 11.901 1.00 12.01 C ATOM 713 O ARG A 48 3.767 0.083 12.772 1.00 23.41 O ATOM 714 CB ARG A 48 3.610 1.549 9.911 1.00 41.25 C ATOM 715 CG ARG A 48 2.470 2.555 10.158 1.00 12.15 C ATOM 716 CD ARG A 48 2.830 4.021 9.871 1.00 62.12 C ATOM 717 NE ARG A 48 1.793 4.930 10.407 1.00 44.32 N ATOM 718 CZ ARG A 48 1.950 5.756 11.428 1.00 63.11 C ATOM 719 NH1 ARG A 48 3.089 5.858 12.048 1.00 43.25 N ATOM 720 NH2 ARG A 48 0.944 6.467 11.823 1.00 72.22 N ATOM 0 H ARG A 48 1.816 0.189 8.844 1.00 10.40 H new ATOM 0 HA ARG A 48 4.148 -0.529 10.260 1.00 51.03 H new ATOM 0 HB2 ARG A 48 4.505 1.891 10.430 1.00 41.25 H new ATOM 0 HB3 ARG A 48 3.846 1.532 8.847 1.00 41.25 H new ATOM 0 HG2 ARG A 48 1.618 2.277 9.538 1.00 12.15 H new ATOM 0 HG3 ARG A 48 2.149 2.471 11.196 1.00 12.15 H new ATOM 0 HD2 ARG A 48 3.795 4.258 10.319 1.00 62.12 H new ATOM 0 HD3 ARG A 48 2.932 4.172 8.796 1.00 62.12 H new ATOM 0 HE ARG A 48 0.881 4.919 9.951 1.00 44.32 H new ATOM 0 HH11 ARG A 48 3.885 5.294 11.749 1.00 43.25 H new ATOM 0 HH12 ARG A 48 3.186 6.502 12.833 1.00 43.25 H new ATOM 0 HH21 ARG A 48 0.045 6.386 11.348 1.00 72.22 H new ATOM 0 HH22 ARG A 48 1.050 7.108 12.609 1.00 72.22 H new ATOM 734 N GLU A 49 1.566 0.159 12.189 1.00 44.44 N ATOM 735 CA GLU A 49 0.993 0.180 13.567 1.00 42.51 C ATOM 736 C GLU A 49 0.406 -1.206 13.984 1.00 31.52 C ATOM 737 O GLU A 49 -0.213 -1.321 15.052 1.00 63.15 O ATOM 738 CB GLU A 49 -0.130 1.259 13.626 1.00 11.14 C ATOM 739 CG GLU A 49 0.299 2.679 13.201 1.00 13.45 C ATOM 740 CD GLU A 49 -0.878 3.674 13.137 1.00 61.25 C ATOM 741 OE1 GLU A 49 -1.735 3.541 12.223 1.00 13.53 O ATOM 742 OE2 GLU A 49 -0.958 4.589 13.987 1.00 74.21 O ATOM 0 H GLU A 49 0.851 0.186 11.462 1.00 44.44 H new ATOM 0 HA GLU A 49 1.797 0.416 14.265 1.00 42.51 H new ATOM 0 HB2 GLU A 49 -0.953 0.939 12.987 1.00 11.14 H new ATOM 0 HB3 GLU A 49 -0.516 1.303 14.644 1.00 11.14 H new ATOM 0 HG2 GLU A 49 1.044 3.052 13.903 1.00 13.45 H new ATOM 0 HG3 GLU A 49 0.779 2.630 12.223 1.00 13.45 H new ATOM 749 N ASN A 50 0.584 -2.235 13.114 1.00 61.04 N ATOM 750 CA ASN A 50 0.093 -3.640 13.327 1.00 3.22 C ATOM 751 C ASN A 50 -1.456 -3.735 13.417 1.00 53.13 C ATOM 752 O ASN A 50 -1.999 -4.721 13.922 1.00 53.55 O ATOM 753 CB ASN A 50 0.746 -4.296 14.588 1.00 53.51 C ATOM 754 CG ASN A 50 2.269 -4.371 14.537 1.00 64.24 C ATOM 755 OD1 ASN A 50 2.925 -3.519 13.957 1.00 44.21 O ATOM 756 ND2 ASN A 50 2.847 -5.388 15.153 1.00 30.43 N ATOM 0 H ASN A 50 1.079 -2.119 12.230 1.00 61.04 H new ATOM 0 HA ASN A 50 0.402 -4.196 12.442 1.00 3.22 H new ATOM 0 HB2 ASN A 50 0.451 -3.730 15.472 1.00 53.51 H new ATOM 0 HB3 ASN A 50 0.348 -5.304 14.707 1.00 53.51 H new ATOM 0 HD21 ASN A 50 3.863 -5.474 15.151 1.00 30.43 H new ATOM 0 HD22 ASN A 50 2.277 -6.086 15.630 1.00 30.43 H new ATOM 763 N LYS A 51 -2.162 -2.730 12.870 1.00 74.22 N ATOM 764 CA LYS A 51 -3.642 -2.660 12.912 1.00 42.04 C ATOM 765 C LYS A 51 -4.304 -3.555 11.832 1.00 72.41 C ATOM 766 O LYS A 51 -5.512 -3.809 11.881 1.00 10.22 O ATOM 767 CB LYS A 51 -4.076 -1.172 12.786 1.00 24.33 C ATOM 768 CG LYS A 51 -3.745 -0.329 14.048 1.00 13.24 C ATOM 769 CD LYS A 51 -3.708 1.193 13.792 1.00 32.34 C ATOM 770 CE LYS A 51 -5.018 1.786 13.258 1.00 30.30 C ATOM 771 NZ LYS A 51 -4.848 3.229 12.933 1.00 31.11 N ATOM 0 H LYS A 51 -1.729 -1.943 12.387 1.00 74.22 H new ATOM 0 HA LYS A 51 -3.989 -3.054 13.867 1.00 42.04 H new ATOM 0 HB2 LYS A 51 -3.583 -0.728 11.921 1.00 24.33 H new ATOM 0 HB3 LYS A 51 -5.149 -1.128 12.599 1.00 24.33 H new ATOM 0 HG2 LYS A 51 -4.487 -0.540 14.818 1.00 13.24 H new ATOM 0 HG3 LYS A 51 -2.779 -0.645 14.441 1.00 13.24 H new ATOM 0 HD2 LYS A 51 -3.450 1.698 14.723 1.00 32.34 H new ATOM 0 HD3 LYS A 51 -2.911 1.409 13.080 1.00 32.34 H new ATOM 0 HE2 LYS A 51 -5.333 1.242 12.367 1.00 30.30 H new ATOM 0 HE3 LYS A 51 -5.807 1.666 14.001 1.00 30.30 H new ATOM 0 HZ1 LYS A 51 -5.475 3.483 12.143 1.00 31.11 H new ATOM 0 HZ2 LYS A 51 -5.090 3.803 13.766 1.00 31.11 H new ATOM 0 HZ3 LYS A 51 -3.860 3.410 12.663 1.00 31.11 H new ATOM 785 N VAL A 52 -3.500 -4.028 10.859 1.00 10.23 N ATOM 786 CA VAL A 52 -3.936 -5.006 9.832 1.00 33.03 C ATOM 787 C VAL A 52 -3.066 -6.284 9.871 1.00 54.41 C ATOM 788 O VAL A 52 -1.856 -6.224 10.117 1.00 41.44 O ATOM 789 CB VAL A 52 -3.900 -4.391 8.383 1.00 1.10 C ATOM 790 CG1 VAL A 52 -4.964 -3.300 8.224 1.00 50.04 C ATOM 791 CG2 VAL A 52 -2.506 -3.831 8.032 1.00 13.11 C ATOM 0 H VAL A 52 -2.525 -3.744 10.760 1.00 10.23 H new ATOM 0 HA VAL A 52 -4.967 -5.268 10.070 1.00 33.03 H new ATOM 0 HB VAL A 52 -4.120 -5.200 7.687 1.00 1.10 H new ATOM 0 HG11 VAL A 52 -4.918 -2.891 7.215 1.00 50.04 H new ATOM 0 HG12 VAL A 52 -5.952 -3.727 8.398 1.00 50.04 H new ATOM 0 HG13 VAL A 52 -4.780 -2.504 8.946 1.00 50.04 H new ATOM 0 HG21 VAL A 52 -2.524 -3.416 7.024 1.00 13.11 H new ATOM 0 HG22 VAL A 52 -2.239 -3.048 8.742 1.00 13.11 H new ATOM 0 HG23 VAL A 52 -1.769 -4.632 8.081 1.00 13.11 H new ATOM 801 N VAL A 53 -3.708 -7.440 9.640 1.00 71.03 N ATOM 802 CA VAL A 53 -3.035 -8.749 9.547 1.00 0.55 C ATOM 803 C VAL A 53 -3.132 -9.290 8.096 1.00 21.33 C ATOM 804 O VAL A 53 -4.202 -9.718 7.655 1.00 63.33 O ATOM 805 CB VAL A 53 -3.669 -9.780 10.562 1.00 43.03 C ATOM 806 CG1 VAL A 53 -3.006 -11.180 10.450 1.00 44.43 C ATOM 807 CG2 VAL A 53 -3.615 -9.239 12.018 1.00 13.21 C ATOM 0 H VAL A 53 -4.718 -7.495 9.511 1.00 71.03 H new ATOM 0 HA VAL A 53 -1.985 -8.619 9.809 1.00 0.55 H new ATOM 0 HB VAL A 53 -4.718 -9.901 10.292 1.00 43.03 H new ATOM 0 HG11 VAL A 53 -3.470 -11.860 11.164 1.00 44.43 H new ATOM 0 HG12 VAL A 53 -3.141 -11.567 9.440 1.00 44.43 H new ATOM 0 HG13 VAL A 53 -1.941 -11.097 10.667 1.00 44.43 H new ATOM 0 HG21 VAL A 53 -4.058 -9.970 12.694 1.00 13.21 H new ATOM 0 HG22 VAL A 53 -2.578 -9.064 12.303 1.00 13.21 H new ATOM 0 HG23 VAL A 53 -4.171 -8.304 12.079 1.00 13.21 H new ATOM 817 N ILE A 54 -2.018 -9.226 7.345 1.00 15.04 N ATOM 818 CA ILE A 54 -1.937 -9.787 5.975 1.00 64.33 C ATOM 819 C ILE A 54 -1.426 -11.246 6.042 1.00 63.40 C ATOM 820 O ILE A 54 -0.388 -11.520 6.654 1.00 52.24 O ATOM 821 CB ILE A 54 -1.010 -8.928 5.004 1.00 3.21 C ATOM 822 CG1 ILE A 54 -1.656 -7.533 4.668 1.00 4.13 C ATOM 823 CG2 ILE A 54 -0.673 -9.700 3.694 1.00 61.05 C ATOM 824 CD1 ILE A 54 -1.691 -6.531 5.809 1.00 41.44 C ATOM 0 H ILE A 54 -1.153 -8.789 7.663 1.00 15.04 H new ATOM 0 HA ILE A 54 -2.942 -9.757 5.555 1.00 64.33 H new ATOM 0 HB ILE A 54 -0.077 -8.750 5.539 1.00 3.21 H new ATOM 0 HG12 ILE A 54 -1.107 -7.090 3.837 1.00 4.13 H new ATOM 0 HG13 ILE A 54 -2.677 -7.699 4.324 1.00 4.13 H new ATOM 0 HG21 ILE A 54 -0.040 -9.080 3.059 1.00 61.05 H new ATOM 0 HG22 ILE A 54 -0.148 -10.623 3.940 1.00 61.05 H new ATOM 0 HG23 ILE A 54 -1.595 -9.938 3.164 1.00 61.05 H new ATOM 0 HD11 ILE A 54 -2.156 -5.606 5.467 1.00 41.44 H new ATOM 0 HD12 ILE A 54 -2.268 -6.943 6.637 1.00 41.44 H new ATOM 0 HD13 ILE A 54 -0.674 -6.324 6.143 1.00 41.44 H new ATOM 836 N GLU A 55 -2.189 -12.184 5.451 1.00 32.30 N ATOM 837 CA GLU A 55 -1.739 -13.574 5.246 1.00 33.41 C ATOM 838 C GLU A 55 -1.507 -13.828 3.740 1.00 32.13 C ATOM 839 O GLU A 55 -2.457 -13.784 2.940 1.00 70.11 O ATOM 840 CB GLU A 55 -2.768 -14.591 5.812 1.00 62.11 C ATOM 841 CG GLU A 55 -3.035 -14.465 7.326 1.00 13.42 C ATOM 842 CD GLU A 55 -3.852 -15.641 7.891 1.00 72.32 C ATOM 843 OE1 GLU A 55 -5.054 -15.744 7.594 1.00 55.52 O ATOM 844 OE2 GLU A 55 -3.305 -16.462 8.651 1.00 35.34 O ATOM 0 H GLU A 55 -3.130 -12.001 5.103 1.00 32.30 H new ATOM 0 HA GLU A 55 -0.803 -13.715 5.786 1.00 33.41 H new ATOM 0 HB2 GLU A 55 -3.711 -14.467 5.279 1.00 62.11 H new ATOM 0 HB3 GLU A 55 -2.414 -15.600 5.602 1.00 62.11 H new ATOM 0 HG2 GLU A 55 -2.083 -14.404 7.854 1.00 13.42 H new ATOM 0 HG3 GLU A 55 -3.567 -13.534 7.520 1.00 13.42 H new ATOM 851 N ARG A 56 -0.233 -14.050 3.353 1.00 10.33 N ATOM 852 CA ARG A 56 0.128 -14.453 1.980 1.00 23.20 C ATOM 853 C ARG A 56 0.051 -15.999 1.877 1.00 63.11 C ATOM 854 O ARG A 56 0.981 -16.713 2.263 1.00 61.51 O ATOM 855 CB ARG A 56 1.548 -13.925 1.613 1.00 51.10 C ATOM 856 CG ARG A 56 1.740 -12.412 1.880 1.00 0.43 C ATOM 857 CD ARG A 56 3.148 -11.895 1.511 1.00 73.44 C ATOM 858 NE ARG A 56 3.413 -10.570 2.106 1.00 13.30 N ATOM 859 CZ ARG A 56 3.975 -9.545 1.518 1.00 61.01 C ATOM 860 NH1 ARG A 56 4.254 -9.557 0.250 1.00 23.43 N ATOM 861 NH2 ARG A 56 4.214 -8.487 2.215 1.00 40.43 N ATOM 0 H ARG A 56 0.567 -13.956 3.979 1.00 10.33 H new ATOM 0 HA ARG A 56 -0.572 -14.017 1.267 1.00 23.20 H new ATOM 0 HB2 ARG A 56 2.291 -14.482 2.183 1.00 51.10 H new ATOM 0 HB3 ARG A 56 1.739 -14.126 0.559 1.00 51.10 H new ATOM 0 HG2 ARG A 56 0.996 -11.854 1.312 1.00 0.43 H new ATOM 0 HG3 ARG A 56 1.553 -12.211 2.935 1.00 0.43 H new ATOM 0 HD2 ARG A 56 3.899 -12.606 1.855 1.00 73.44 H new ATOM 0 HD3 ARG A 56 3.241 -11.833 0.427 1.00 73.44 H new ATOM 0 HE ARG A 56 3.128 -10.440 3.077 1.00 13.30 H new ATOM 0 HH11 ARG A 56 4.035 -10.379 -0.313 1.00 23.43 H new ATOM 0 HH12 ARG A 56 4.692 -8.744 -0.183 1.00 23.43 H new ATOM 0 HH21 ARG A 56 3.966 -8.461 3.204 1.00 40.43 H new ATOM 0 HH22 ARG A 56 4.651 -7.676 1.777 1.00 40.43 H new ATOM 875 N LYS A 57 -1.096 -16.492 1.386 1.00 74.55 N ATOM 876 CA LYS A 57 -1.378 -17.943 1.243 1.00 51.03 C ATOM 877 C LYS A 57 -1.433 -18.313 -0.254 1.00 62.51 C ATOM 878 O LYS A 57 -2.268 -17.794 -0.993 1.00 34.02 O ATOM 879 CB LYS A 57 -2.704 -18.311 1.981 1.00 24.23 C ATOM 880 CG LYS A 57 -3.958 -17.462 1.583 1.00 62.53 C ATOM 881 CD LYS A 57 -4.499 -16.566 2.725 1.00 43.12 C ATOM 882 CE LYS A 57 -5.022 -17.377 3.930 1.00 70.44 C ATOM 883 NZ LYS A 57 -5.740 -16.520 4.906 1.00 75.02 N ATOM 0 H LYS A 57 -1.864 -15.898 1.073 1.00 74.55 H new ATOM 0 HA LYS A 57 -0.578 -18.521 1.705 1.00 51.03 H new ATOM 0 HB2 LYS A 57 -2.924 -19.362 1.792 1.00 24.23 H new ATOM 0 HB3 LYS A 57 -2.543 -18.207 3.054 1.00 24.23 H new ATOM 0 HG2 LYS A 57 -3.702 -16.832 0.731 1.00 62.53 H new ATOM 0 HG3 LYS A 57 -4.751 -18.135 1.256 1.00 62.53 H new ATOM 0 HD2 LYS A 57 -3.707 -15.896 3.061 1.00 43.12 H new ATOM 0 HD3 LYS A 57 -5.303 -15.940 2.339 1.00 43.12 H new ATOM 0 HE2 LYS A 57 -5.690 -18.162 3.576 1.00 70.44 H new ATOM 0 HE3 LYS A 57 -4.186 -17.870 4.426 1.00 70.44 H new ATOM 0 HZ1 LYS A 57 -5.304 -16.622 5.844 1.00 75.02 H new ATOM 0 HZ2 LYS A 57 -5.683 -15.527 4.604 1.00 75.02 H new ATOM 0 HZ3 LYS A 57 -6.738 -16.810 4.955 1.00 75.02 H new ATOM 897 N ASN A 58 -0.517 -19.204 -0.691 1.00 62.41 N ATOM 898 CA ASN A 58 -0.265 -19.498 -2.130 1.00 33.13 C ATOM 899 C ASN A 58 0.086 -18.205 -2.926 1.00 1.13 C ATOM 900 O ASN A 58 -0.202 -18.094 -4.125 1.00 62.14 O ATOM 901 CB ASN A 58 -1.483 -20.238 -2.767 1.00 63.24 C ATOM 902 CG ASN A 58 -1.876 -21.522 -2.031 1.00 32.24 C ATOM 903 OD1 ASN A 58 -1.050 -22.184 -1.408 1.00 13.30 O ATOM 904 ND2 ASN A 58 -3.138 -21.901 -2.123 1.00 24.54 N ATOM 0 H ASN A 58 0.073 -19.744 -0.059 1.00 62.41 H new ATOM 0 HA ASN A 58 0.600 -20.159 -2.186 1.00 33.13 H new ATOM 0 HB2 ASN A 58 -2.339 -19.563 -2.784 1.00 63.24 H new ATOM 0 HB3 ASN A 58 -1.248 -20.481 -3.803 1.00 63.24 H new ATOM 0 HD21 ASN A 58 -3.446 -22.762 -1.671 1.00 24.54 H new ATOM 0 HD22 ASN A 58 -3.804 -21.333 -2.646 1.00 24.54 H new ATOM 911 N GLY A 59 0.741 -17.241 -2.238 1.00 42.44 N ATOM 912 CA GLY A 59 1.067 -15.926 -2.823 1.00 35.40 C ATOM 913 C GLY A 59 -0.129 -14.951 -2.913 1.00 32.40 C ATOM 914 O GLY A 59 0.013 -13.837 -3.419 1.00 11.14 O ATOM 0 H GLY A 59 1.054 -17.353 -1.274 1.00 42.44 H new ATOM 0 HA2 GLY A 59 1.854 -15.462 -2.228 1.00 35.40 H new ATOM 0 HA3 GLY A 59 1.472 -16.078 -3.824 1.00 35.40 H new ATOM 918 N LEU A 60 -1.305 -15.378 -2.413 1.00 25.11 N ATOM 919 CA LEU A 60 -2.557 -14.582 -2.445 1.00 10.31 C ATOM 920 C LEU A 60 -2.735 -13.809 -1.119 1.00 31.40 C ATOM 921 O LEU A 60 -2.581 -14.381 -0.037 1.00 14.12 O ATOM 922 CB LEU A 60 -3.767 -15.527 -2.685 1.00 30.42 C ATOM 923 CG LEU A 60 -3.686 -16.424 -3.964 1.00 30.33 C ATOM 924 CD1 LEU A 60 -4.886 -17.390 -4.050 1.00 53.42 C ATOM 925 CD2 LEU A 60 -3.559 -15.569 -5.244 1.00 43.24 C ATOM 0 H LEU A 60 -1.418 -16.291 -1.972 1.00 25.11 H new ATOM 0 HA LEU A 60 -2.501 -13.859 -3.259 1.00 10.31 H new ATOM 0 HB2 LEU A 60 -3.876 -16.175 -1.816 1.00 30.42 H new ATOM 0 HB3 LEU A 60 -4.671 -14.921 -2.746 1.00 30.42 H new ATOM 0 HG LEU A 60 -2.783 -17.029 -3.883 1.00 30.33 H new ATOM 0 HD11 LEU A 60 -4.799 -17.999 -4.950 1.00 53.42 H new ATOM 0 HD12 LEU A 60 -4.895 -18.038 -3.173 1.00 53.42 H new ATOM 0 HD13 LEU A 60 -5.812 -16.817 -4.088 1.00 53.42 H new ATOM 0 HD21 LEU A 60 -3.505 -16.223 -6.114 1.00 43.24 H new ATOM 0 HD22 LEU A 60 -4.428 -14.917 -5.333 1.00 43.24 H new ATOM 0 HD23 LEU A 60 -2.655 -14.963 -5.189 1.00 43.24 H new ATOM 937 N ILE A 61 -3.065 -12.517 -1.217 1.00 52.42 N ATOM 938 CA ILE A 61 -3.167 -11.611 -0.054 1.00 44.33 C ATOM 939 C ILE A 61 -4.632 -11.472 0.437 1.00 2.45 C ATOM 940 O ILE A 61 -5.506 -11.003 -0.305 1.00 61.25 O ATOM 941 CB ILE A 61 -2.573 -10.195 -0.426 1.00 12.04 C ATOM 942 CG1 ILE A 61 -1.059 -10.336 -0.804 1.00 23.14 C ATOM 943 CG2 ILE A 61 -2.792 -9.153 0.707 1.00 33.45 C ATOM 944 CD1 ILE A 61 -0.376 -9.052 -1.253 1.00 44.05 C ATOM 0 H ILE A 61 -3.271 -12.062 -2.107 1.00 52.42 H new ATOM 0 HA ILE A 61 -2.589 -12.042 0.763 1.00 44.33 H new ATOM 0 HB ILE A 61 -3.113 -9.816 -1.294 1.00 12.04 H new ATOM 0 HG12 ILE A 61 -0.522 -10.731 0.058 1.00 23.14 H new ATOM 0 HG13 ILE A 61 -0.968 -11.074 -1.601 1.00 23.14 H new ATOM 0 HG21 ILE A 61 -2.368 -8.195 0.407 1.00 33.45 H new ATOM 0 HG22 ILE A 61 -3.860 -9.035 0.891 1.00 33.45 H new ATOM 0 HG23 ILE A 61 -2.302 -9.498 1.618 1.00 33.45 H new ATOM 0 HD11 ILE A 61 0.667 -9.259 -1.491 1.00 44.05 H new ATOM 0 HD12 ILE A 61 -0.879 -8.662 -2.138 1.00 44.05 H new ATOM 0 HD13 ILE A 61 -0.426 -8.314 -0.452 1.00 44.05 H new ATOM 956 N GLU A 62 -4.880 -11.891 1.691 1.00 24.22 N ATOM 957 CA GLU A 62 -6.135 -11.599 2.419 1.00 3.23 C ATOM 958 C GLU A 62 -5.819 -10.668 3.606 1.00 41.32 C ATOM 959 O GLU A 62 -4.873 -10.923 4.365 1.00 32.35 O ATOM 960 CB GLU A 62 -6.831 -12.887 2.937 1.00 14.52 C ATOM 961 CG GLU A 62 -7.414 -13.819 1.855 1.00 34.24 C ATOM 962 CD GLU A 62 -8.340 -14.895 2.456 1.00 23.23 C ATOM 963 OE1 GLU A 62 -9.556 -14.633 2.605 1.00 41.10 O ATOM 964 OE2 GLU A 62 -7.859 -15.988 2.818 1.00 62.12 O ATOM 0 H GLU A 62 -4.215 -12.444 2.233 1.00 24.22 H new ATOM 0 HA GLU A 62 -6.823 -11.118 1.723 1.00 3.23 H new ATOM 0 HB2 GLU A 62 -6.111 -13.453 3.528 1.00 14.52 H new ATOM 0 HB3 GLU A 62 -7.637 -12.596 3.611 1.00 14.52 H new ATOM 0 HG2 GLU A 62 -7.970 -13.227 1.128 1.00 34.24 H new ATOM 0 HG3 GLU A 62 -6.599 -14.302 1.316 1.00 34.24 H new ATOM 971 N ILE A 63 -6.605 -9.588 3.764 1.00 24.00 N ATOM 972 CA ILE A 63 -6.395 -8.599 4.837 1.00 1.15 C ATOM 973 C ILE A 63 -7.399 -8.815 5.983 1.00 65.14 C ATOM 974 O ILE A 63 -8.608 -8.927 5.764 1.00 2.05 O ATOM 975 CB ILE A 63 -6.514 -7.132 4.306 1.00 12.53 C ATOM 976 CG1 ILE A 63 -5.623 -6.937 3.041 1.00 31.15 C ATOM 977 CG2 ILE A 63 -6.141 -6.101 5.413 1.00 53.11 C ATOM 978 CD1 ILE A 63 -5.735 -5.561 2.421 1.00 43.51 C ATOM 0 H ILE A 63 -7.397 -9.377 3.157 1.00 24.00 H new ATOM 0 HA ILE A 63 -5.382 -8.746 5.212 1.00 1.15 H new ATOM 0 HB ILE A 63 -7.553 -6.955 4.026 1.00 12.53 H new ATOM 0 HG12 ILE A 63 -4.583 -7.121 3.309 1.00 31.15 H new ATOM 0 HG13 ILE A 63 -5.897 -7.684 2.296 1.00 31.15 H new ATOM 0 HG21 ILE A 63 -6.233 -5.090 5.015 1.00 53.11 H new ATOM 0 HG22 ILE A 63 -6.814 -6.219 6.262 1.00 53.11 H new ATOM 0 HG23 ILE A 63 -5.114 -6.271 5.738 1.00 53.11 H new ATOM 0 HD11 ILE A 63 -5.087 -5.502 1.547 1.00 43.51 H new ATOM 0 HD12 ILE A 63 -6.767 -5.380 2.120 1.00 43.51 H new ATOM 0 HD13 ILE A 63 -5.432 -4.808 3.149 1.00 43.51 H new ATOM 990 N TYR A 64 -6.868 -8.828 7.202 1.00 4.23 N ATOM 991 CA TYR A 64 -7.632 -9.094 8.443 1.00 13.43 C ATOM 992 C TYR A 64 -7.446 -7.934 9.440 1.00 41.23 C ATOM 993 O TYR A 64 -6.660 -7.012 9.201 1.00 12.01 O ATOM 994 CB TYR A 64 -7.173 -10.431 9.101 1.00 73.22 C ATOM 995 CG TYR A 64 -7.385 -11.700 8.253 1.00 60.31 C ATOM 996 CD1 TYR A 64 -6.471 -12.065 7.263 1.00 14.31 C ATOM 997 CD2 TYR A 64 -8.494 -12.536 8.444 1.00 12.34 C ATOM 998 CE1 TYR A 64 -6.654 -13.198 6.498 1.00 34.34 C ATOM 999 CE2 TYR A 64 -8.676 -13.679 7.681 1.00 75.55 C ATOM 1000 CZ TYR A 64 -7.757 -14.002 6.706 1.00 54.23 C ATOM 1001 OH TYR A 64 -7.943 -15.131 5.933 1.00 51.14 O ATOM 0 H TYR A 64 -5.878 -8.652 7.371 1.00 4.23 H new ATOM 0 HA TYR A 64 -8.687 -9.179 8.181 1.00 13.43 H new ATOM 0 HB2 TYR A 64 -6.113 -10.351 9.343 1.00 73.22 H new ATOM 0 HB3 TYR A 64 -7.707 -10.553 10.044 1.00 73.22 H new ATOM 0 HD1 TYR A 64 -5.602 -11.447 7.092 1.00 14.31 H new ATOM 0 HD2 TYR A 64 -9.222 -12.284 9.201 1.00 12.34 H new ATOM 0 HE1 TYR A 64 -5.934 -13.456 5.736 1.00 34.34 H new ATOM 0 HE2 TYR A 64 -9.534 -14.313 7.850 1.00 75.55 H new ATOM 0 HH TYR A 64 -8.767 -15.584 6.209 1.00 51.14 H new ATOM 1011 N ASN A 65 -8.190 -7.984 10.551 1.00 1.15 N ATOM 1012 CA ASN A 65 -8.042 -7.022 11.665 1.00 74.22 C ATOM 1013 C ASN A 65 -7.195 -7.661 12.801 1.00 33.50 C ATOM 1014 O ASN A 65 -6.983 -8.887 12.817 1.00 52.15 O ATOM 1015 CB ASN A 65 -9.461 -6.589 12.159 1.00 31.43 C ATOM 1016 CG ASN A 65 -9.509 -5.199 12.823 1.00 11.21 C ATOM 1017 OD1 ASN A 65 -8.554 -4.738 13.435 1.00 0.13 O ATOM 1018 ND2 ASN A 65 -10.628 -4.514 12.696 1.00 41.11 N ATOM 0 H ASN A 65 -8.911 -8.688 10.709 1.00 1.15 H new ATOM 0 HA ASN A 65 -7.515 -6.128 11.330 1.00 74.22 H new ATOM 0 HB2 ASN A 65 -10.145 -6.596 11.311 1.00 31.43 H new ATOM 0 HB3 ASN A 65 -9.826 -7.330 12.870 1.00 31.43 H new ATOM 0 HD21 ASN A 65 -10.707 -3.586 13.111 1.00 41.11 H new ATOM 0 HD22 ASN A 65 -11.414 -4.912 12.183 1.00 41.11 H new ATOM 1025 N GLU A 66 -6.695 -6.818 13.719 1.00 4.41 N ATOM 1026 CA GLU A 66 -5.949 -7.244 14.937 1.00 11.11 C ATOM 1027 C GLU A 66 -6.740 -8.297 15.780 1.00 23.14 C ATOM 1028 O GLU A 66 -7.976 -8.281 15.819 1.00 70.14 O ATOM 1029 CB GLU A 66 -5.649 -5.983 15.798 1.00 72.31 C ATOM 1030 CG GLU A 66 -4.858 -6.223 17.105 1.00 71.24 C ATOM 1031 CD GLU A 66 -3.420 -6.719 16.868 1.00 42.22 C ATOM 1032 OE1 GLU A 66 -2.511 -5.875 16.729 1.00 40.30 O ATOM 1033 OE2 GLU A 66 -3.193 -7.953 16.833 1.00 52.01 O ATOM 0 H GLU A 66 -6.793 -5.806 13.644 1.00 4.41 H new ATOM 0 HA GLU A 66 -5.023 -7.725 14.624 1.00 11.11 H new ATOM 0 HB2 GLU A 66 -5.092 -5.274 15.185 1.00 72.31 H new ATOM 0 HB3 GLU A 66 -6.597 -5.508 16.053 1.00 72.31 H new ATOM 0 HG2 GLU A 66 -4.825 -5.295 17.676 1.00 71.24 H new ATOM 0 HG3 GLU A 66 -5.390 -6.953 17.714 1.00 71.24 H new ATOM 1327 N LYS B 3 5.762 -8.594 8.642 1.00 0.54 N ATOM 1328 CA LYS B 3 6.555 -7.359 8.887 1.00 30.31 C ATOM 1329 C LYS B 3 8.066 -7.555 8.573 1.00 43.25 C ATOM 1330 O LYS B 3 8.720 -6.619 8.088 1.00 3.31 O ATOM 1331 CB LYS B 3 6.361 -6.826 10.333 1.00 23.51 C ATOM 1332 CG LYS B 3 7.265 -5.613 10.679 1.00 20.31 C ATOM 1333 CD LYS B 3 6.979 -4.978 12.056 1.00 62.32 C ATOM 1334 CE LYS B 3 5.634 -4.235 12.112 1.00 72.52 C ATOM 1335 NZ LYS B 3 5.506 -3.441 13.355 1.00 13.22 N ATOM 0 HA LYS B 3 6.171 -6.609 8.196 1.00 30.31 H new ATOM 0 HB2 LYS B 3 5.318 -6.540 10.468 1.00 23.51 H new ATOM 0 HB3 LYS B 3 6.565 -7.632 11.038 1.00 23.51 H new ATOM 0 HG2 LYS B 3 8.307 -5.931 10.649 1.00 20.31 H new ATOM 0 HG3 LYS B 3 7.142 -4.852 9.909 1.00 20.31 H new ATOM 0 HD2 LYS B 3 6.988 -5.758 12.818 1.00 62.32 H new ATOM 0 HD3 LYS B 3 7.782 -4.283 12.302 1.00 62.32 H new ATOM 0 HE2 LYS B 3 5.544 -3.577 11.248 1.00 72.52 H new ATOM 0 HE3 LYS B 3 4.817 -4.954 12.052 1.00 72.52 H new ATOM 0 HZ1 LYS B 3 4.587 -3.638 13.799 1.00 13.22 H new ATOM 0 HZ2 LYS B 3 6.270 -3.699 14.012 1.00 13.22 H new ATOM 0 HZ3 LYS B 3 5.571 -2.428 13.128 1.00 13.22 H new ATOM 1349 N LYS B 4 8.615 -8.766 8.843 1.00 23.41 N ATOM 1350 CA LYS B 4 10.002 -9.123 8.419 1.00 20.11 C ATOM 1351 C LYS B 4 10.169 -8.927 6.893 1.00 63.31 C ATOM 1352 O LYS B 4 11.188 -8.412 6.417 1.00 65.41 O ATOM 1353 CB LYS B 4 10.352 -10.594 8.765 1.00 72.15 C ATOM 1354 CG LYS B 4 10.322 -10.967 10.263 1.00 41.22 C ATOM 1355 CD LYS B 4 10.814 -12.421 10.495 1.00 52.34 C ATOM 1356 CE LYS B 4 10.779 -12.857 11.972 1.00 21.12 C ATOM 1357 NZ LYS B 4 11.637 -12.004 12.839 1.00 34.24 N ATOM 0 H LYS B 4 8.129 -9.508 9.347 1.00 23.41 H new ATOM 0 HA LYS B 4 10.677 -8.462 8.963 1.00 20.11 H new ATOM 0 HB2 LYS B 4 9.657 -11.245 8.236 1.00 72.15 H new ATOM 0 HB3 LYS B 4 11.348 -10.809 8.378 1.00 72.15 H new ATOM 0 HG2 LYS B 4 10.950 -10.275 10.824 1.00 41.22 H new ATOM 0 HG3 LYS B 4 9.307 -10.859 10.646 1.00 41.22 H new ATOM 0 HD2 LYS B 4 10.197 -13.102 9.909 1.00 52.34 H new ATOM 0 HD3 LYS B 4 11.834 -12.514 10.122 1.00 52.34 H new ATOM 0 HE2 LYS B 4 9.752 -12.820 12.334 1.00 21.12 H new ATOM 0 HE3 LYS B 4 11.107 -13.894 12.049 1.00 21.12 H new ATOM 0 HZ1 LYS B 4 11.619 -12.369 13.813 1.00 34.24 H new ATOM 0 HZ2 LYS B 4 12.614 -12.018 12.482 1.00 34.24 H new ATOM 0 HZ3 LYS B 4 11.279 -11.028 12.829 1.00 34.24 H new ATOM 1371 N ILE B 5 9.122 -9.339 6.156 1.00 1.52 N ATOM 1372 CA ILE B 5 9.060 -9.230 4.690 1.00 24.25 C ATOM 1373 C ILE B 5 9.007 -7.749 4.233 1.00 12.15 C ATOM 1374 O ILE B 5 9.828 -7.329 3.423 1.00 61.53 O ATOM 1375 CB ILE B 5 7.814 -10.010 4.117 1.00 41.54 C ATOM 1376 CG1 ILE B 5 7.781 -11.477 4.667 1.00 60.44 C ATOM 1377 CG2 ILE B 5 7.803 -9.990 2.566 1.00 1.34 C ATOM 1378 CD1 ILE B 5 6.520 -12.263 4.336 1.00 64.24 C ATOM 0 H ILE B 5 8.289 -9.760 6.566 1.00 1.52 H new ATOM 0 HA ILE B 5 9.971 -9.680 4.296 1.00 24.25 H new ATOM 0 HB ILE B 5 6.911 -9.502 4.456 1.00 41.54 H new ATOM 0 HG12 ILE B 5 8.641 -12.016 4.271 1.00 60.44 H new ATOM 0 HG13 ILE B 5 7.897 -11.445 5.750 1.00 60.44 H new ATOM 0 HG21 ILE B 5 6.933 -10.535 2.201 1.00 1.34 H new ATOM 0 HG22 ILE B 5 7.758 -8.959 2.216 1.00 1.34 H new ATOM 0 HG23 ILE B 5 8.711 -10.462 2.190 1.00 1.34 H new ATOM 0 HD11 ILE B 5 6.594 -13.264 4.760 1.00 64.24 H new ATOM 0 HD12 ILE B 5 5.653 -11.754 4.757 1.00 64.24 H new ATOM 0 HD13 ILE B 5 6.409 -12.334 3.254 1.00 64.24 H new ATOM 1390 N VAL B 6 8.060 -6.957 4.798 1.00 65.03 N ATOM 1391 CA VAL B 6 7.815 -5.554 4.352 1.00 1.52 C ATOM 1392 C VAL B 6 9.012 -4.627 4.678 1.00 33.34 C ATOM 1393 O VAL B 6 9.290 -3.695 3.932 1.00 11.15 O ATOM 1394 CB VAL B 6 6.478 -4.953 4.957 1.00 44.45 C ATOM 1395 CG1 VAL B 6 5.311 -5.939 4.771 1.00 54.20 C ATOM 1396 CG2 VAL B 6 6.627 -4.546 6.448 1.00 73.41 C ATOM 0 H VAL B 6 7.454 -7.261 5.560 1.00 65.03 H new ATOM 0 HA VAL B 6 7.701 -5.600 3.269 1.00 1.52 H new ATOM 0 HB VAL B 6 6.260 -4.039 4.405 1.00 44.45 H new ATOM 0 HG11 VAL B 6 4.402 -5.510 5.192 1.00 54.20 H new ATOM 0 HG12 VAL B 6 5.163 -6.132 3.708 1.00 54.20 H new ATOM 0 HG13 VAL B 6 5.541 -6.875 5.281 1.00 54.20 H new ATOM 0 HG21 VAL B 6 5.682 -4.141 6.811 1.00 73.41 H new ATOM 0 HG22 VAL B 6 6.897 -5.421 7.039 1.00 73.41 H new ATOM 0 HG23 VAL B 6 7.406 -3.790 6.543 1.00 73.41 H new ATOM 1406 N GLY B 7 9.715 -4.916 5.793 1.00 42.20 N ATOM 1407 CA GLY B 7 10.921 -4.171 6.180 1.00 43.12 C ATOM 1408 C GLY B 7 12.104 -4.433 5.245 1.00 53.24 C ATOM 1409 O GLY B 7 12.811 -3.503 4.830 1.00 0.01 O ATOM 0 H GLY B 7 9.463 -5.663 6.440 1.00 42.20 H new ATOM 0 HA2 GLY B 7 10.697 -3.104 6.186 1.00 43.12 H new ATOM 0 HA3 GLY B 7 11.200 -4.444 7.198 1.00 43.12 H new ATOM 1413 N ALA B 8 12.303 -5.718 4.905 1.00 12.32 N ATOM 1414 CA ALA B 8 13.342 -6.158 3.949 1.00 12.43 C ATOM 1415 C ALA B 8 13.028 -5.714 2.493 1.00 73.42 C ATOM 1416 O ALA B 8 13.941 -5.471 1.696 1.00 53.00 O ATOM 1417 CB ALA B 8 13.494 -7.688 4.015 1.00 62.54 C ATOM 0 H ALA B 8 11.748 -6.485 5.285 1.00 12.32 H new ATOM 0 HA ALA B 8 14.279 -5.680 4.237 1.00 12.43 H new ATOM 0 HB1 ALA B 8 14.260 -8.008 3.309 1.00 62.54 H new ATOM 0 HB2 ALA B 8 13.784 -7.982 5.024 1.00 62.54 H new ATOM 0 HB3 ALA B 8 12.545 -8.159 3.759 1.00 62.54 H new ATOM 1423 N ASN B 9 11.731 -5.624 2.161 1.00 55.23 N ATOM 1424 CA ASN B 9 11.252 -5.316 0.788 1.00 2.54 C ATOM 1425 C ASN B 9 11.161 -3.786 0.529 1.00 2.32 C ATOM 1426 O ASN B 9 11.304 -3.330 -0.615 1.00 2.21 O ATOM 1427 CB ASN B 9 9.872 -6.002 0.560 1.00 23.13 C ATOM 1428 CG ASN B 9 9.607 -6.392 -0.892 1.00 61.11 C ATOM 1429 OD1 ASN B 9 10.101 -5.768 -1.824 1.00 53.15 O ATOM 1430 ND2 ASN B 9 8.831 -7.443 -1.093 1.00 53.52 N ATOM 0 H ASN B 9 10.976 -5.762 2.833 1.00 55.23 H new ATOM 0 HA ASN B 9 11.978 -5.709 0.076 1.00 2.54 H new ATOM 0 HB2 ASN B 9 9.814 -6.895 1.182 1.00 23.13 H new ATOM 0 HB3 ASN B 9 9.083 -5.329 0.895 1.00 23.13 H new ATOM 0 HD21 ASN B 9 8.630 -7.754 -2.043 1.00 53.52 H new ATOM 0 HD22 ASN B 9 8.434 -7.943 -0.298 1.00 53.52 H new ATOM 1437 N ALA B 10 10.935 -3.003 1.605 1.00 54.33 N ATOM 1438 CA ALA B 10 10.760 -1.530 1.519 1.00 33.24 C ATOM 1439 C ALA B 10 12.034 -0.820 1.013 1.00 21.12 C ATOM 1440 O ALA B 10 11.957 0.206 0.330 1.00 30.34 O ATOM 1441 CB ALA B 10 10.341 -0.968 2.878 1.00 50.43 C ATOM 0 H ALA B 10 10.868 -3.368 2.555 1.00 54.33 H new ATOM 0 HA ALA B 10 9.972 -1.337 0.791 1.00 33.24 H new ATOM 0 HB1 ALA B 10 10.216 0.112 2.802 1.00 50.43 H new ATOM 0 HB2 ALA B 10 9.399 -1.422 3.184 1.00 50.43 H new ATOM 0 HB3 ALA B 10 11.109 -1.193 3.617 1.00 50.43 H new ATOM 1447 N GLY B 11 13.201 -1.400 1.335 1.00 22.43 N ATOM 1448 CA GLY B 11 14.479 -0.904 0.819 1.00 64.21 C ATOM 1449 C GLY B 11 14.600 -1.073 -0.695 1.00 0.34 C ATOM 1450 O GLY B 11 15.016 -0.154 -1.390 1.00 32.32 O ATOM 0 H GLY B 11 13.282 -2.211 1.949 1.00 22.43 H new ATOM 0 HA2 GLY B 11 14.586 0.150 1.074 1.00 64.21 H new ATOM 0 HA3 GLY B 11 15.296 -1.435 1.308 1.00 64.21 H new ATOM 1454 N LYS B 12 14.162 -2.243 -1.199 1.00 25.23 N ATOM 1455 CA LYS B 12 14.241 -2.603 -2.635 1.00 64.51 C ATOM 1456 C LYS B 12 13.350 -1.679 -3.501 1.00 12.50 C ATOM 1457 O LYS B 12 13.794 -1.162 -4.538 1.00 2.20 O ATOM 1458 CB LYS B 12 13.828 -4.092 -2.818 1.00 14.54 C ATOM 1459 CG LYS B 12 14.178 -4.703 -4.197 1.00 4.54 C ATOM 1460 CD LYS B 12 13.833 -6.214 -4.279 1.00 61.42 C ATOM 1461 CE LYS B 12 14.481 -6.911 -5.491 1.00 65.15 C ATOM 1462 NZ LYS B 12 14.069 -6.315 -6.790 1.00 73.21 N ATOM 0 H LYS B 12 13.741 -2.971 -0.622 1.00 25.23 H new ATOM 0 HA LYS B 12 15.269 -2.468 -2.970 1.00 64.51 H new ATOM 0 HB2 LYS B 12 14.311 -4.685 -2.041 1.00 14.54 H new ATOM 0 HB3 LYS B 12 12.753 -4.177 -2.662 1.00 14.54 H new ATOM 0 HG2 LYS B 12 13.637 -4.167 -4.977 1.00 4.54 H new ATOM 0 HG3 LYS B 12 15.241 -4.565 -4.393 1.00 4.54 H new ATOM 0 HD2 LYS B 12 14.162 -6.707 -3.364 1.00 61.42 H new ATOM 0 HD3 LYS B 12 12.751 -6.332 -4.334 1.00 61.42 H new ATOM 0 HE2 LYS B 12 15.566 -6.855 -5.399 1.00 65.15 H new ATOM 0 HE3 LYS B 12 14.215 -7.968 -5.481 1.00 65.15 H new ATOM 0 HZ1 LYS B 12 14.049 -7.055 -7.521 1.00 73.21 H new ATOM 0 HZ2 LYS B 12 13.122 -5.897 -6.695 1.00 73.21 H new ATOM 0 HZ3 LYS B 12 14.748 -5.576 -7.064 1.00 73.21 H new ATOM 1476 N VAL B 13 12.101 -1.447 -3.042 1.00 1.45 N ATOM 1477 CA VAL B 13 11.139 -0.567 -3.745 1.00 2.42 C ATOM 1478 C VAL B 13 11.567 0.926 -3.692 1.00 52.54 C ATOM 1479 O VAL B 13 11.311 1.687 -4.631 1.00 55.23 O ATOM 1480 CB VAL B 13 9.659 -0.759 -3.220 1.00 3.34 C ATOM 1481 CG1 VAL B 13 9.183 -2.222 -3.403 1.00 14.21 C ATOM 1482 CG2 VAL B 13 9.504 -0.323 -1.750 1.00 72.10 C ATOM 0 H VAL B 13 11.733 -1.858 -2.184 1.00 1.45 H new ATOM 0 HA VAL B 13 11.152 -0.872 -4.791 1.00 2.42 H new ATOM 0 HB VAL B 13 9.025 -0.111 -3.825 1.00 3.34 H new ATOM 0 HG11 VAL B 13 8.163 -2.322 -3.033 1.00 14.21 H new ATOM 0 HG12 VAL B 13 9.213 -2.485 -4.460 1.00 14.21 H new ATOM 0 HG13 VAL B 13 9.838 -2.890 -2.845 1.00 14.21 H new ATOM 0 HG21 VAL B 13 8.472 -0.473 -1.433 1.00 72.10 H new ATOM 0 HG22 VAL B 13 10.167 -0.919 -1.122 1.00 72.10 H new ATOM 0 HG23 VAL B 13 9.764 0.731 -1.654 1.00 72.10 H new ATOM 1492 N TRP B 14 12.232 1.321 -2.586 1.00 1.41 N ATOM 1493 CA TRP B 14 12.785 2.689 -2.425 1.00 34.52 C ATOM 1494 C TRP B 14 14.030 2.909 -3.326 1.00 15.41 C ATOM 1495 O TRP B 14 14.232 3.998 -3.854 1.00 23.54 O ATOM 1496 CB TRP B 14 13.131 2.981 -0.943 1.00 73.34 C ATOM 1497 CG TRP B 14 13.393 4.450 -0.647 1.00 3.43 C ATOM 1498 CD1 TRP B 14 12.464 5.448 -0.488 1.00 74.41 C ATOM 1499 CD2 TRP B 14 14.668 5.072 -0.475 1.00 0.31 C ATOM 1500 NE1 TRP B 14 13.092 6.643 -0.251 1.00 31.20 N ATOM 1501 CE2 TRP B 14 14.445 6.438 -0.231 1.00 23.21 C ATOM 1502 CE3 TRP B 14 15.974 4.594 -0.502 1.00 61.11 C ATOM 1503 CZ2 TRP B 14 15.492 7.335 -0.027 1.00 35.23 C ATOM 1504 CZ3 TRP B 14 17.017 5.479 -0.301 1.00 14.55 C ATOM 1505 CH2 TRP B 14 16.770 6.838 -0.060 1.00 10.50 C ATOM 0 H TRP B 14 12.401 0.711 -1.786 1.00 1.41 H new ATOM 0 HA TRP B 14 12.012 3.389 -2.742 1.00 34.52 H new ATOM 0 HB2 TRP B 14 12.311 2.635 -0.314 1.00 73.34 H new ATOM 0 HB3 TRP B 14 14.012 2.402 -0.665 1.00 73.34 H new ATOM 0 HD1 TRP B 14 11.394 5.311 -0.542 1.00 74.41 H new ATOM 0 HE1 TRP B 14 12.626 7.540 -0.112 1.00 31.20 H new ATOM 0 HE3 TRP B 14 16.170 3.547 -0.677 1.00 61.11 H new ATOM 0 HZ2 TRP B 14 15.304 8.384 0.151 1.00 35.23 H new ATOM 0 HZ3 TRP B 14 18.035 5.119 -0.330 1.00 14.55 H new ATOM 0 HH2 TRP B 14 17.602 7.507 0.103 1.00 10.50 H new ATOM 1516 N HIS B 15 14.856 1.855 -3.501 1.00 73.12 N ATOM 1517 CA HIS B 15 16.096 1.921 -4.328 1.00 70.31 C ATOM 1518 C HIS B 15 15.781 2.109 -5.833 1.00 64.13 C ATOM 1519 O HIS B 15 16.546 2.760 -6.555 1.00 32.34 O ATOM 1520 CB HIS B 15 16.987 0.672 -4.094 1.00 64.10 C ATOM 1521 CG HIS B 15 17.609 0.603 -2.720 1.00 41.43 C ATOM 1522 ND1 HIS B 15 18.187 -0.541 -2.218 1.00 73.44 N ATOM 1523 CD2 HIS B 15 17.715 1.530 -1.732 1.00 61.31 C ATOM 1524 CE1 HIS B 15 18.631 -0.319 -0.997 1.00 74.02 C ATOM 1525 NE2 HIS B 15 18.354 0.927 -0.679 1.00 30.24 N ATOM 0 H HIS B 15 14.691 0.940 -3.081 1.00 73.12 H new ATOM 0 HA HIS B 15 16.653 2.801 -4.006 1.00 70.31 H new ATOM 0 HB2 HIS B 15 16.387 -0.224 -4.254 1.00 64.10 H new ATOM 0 HB3 HIS B 15 17.781 0.661 -4.841 1.00 64.10 H new ATOM 0 HD2 HIS B 15 17.362 2.550 -1.769 1.00 61.31 H new ATOM 0 HE1 HIS B 15 19.135 -1.036 -0.366 1.00 74.02 H new ATOM 0 HE2 HIS B 15 18.579 1.374 0.210 1.00 30.24 H new ATOM 1534 N ALA B 16 14.647 1.547 -6.285 1.00 10.03 N ATOM 1535 CA ALA B 16 14.144 1.743 -7.666 1.00 51.25 C ATOM 1536 C ALA B 16 13.731 3.223 -7.931 1.00 2.43 C ATOM 1537 O ALA B 16 13.856 3.724 -9.058 1.00 4.33 O ATOM 1538 CB ALA B 16 12.967 0.794 -7.921 1.00 62.23 C ATOM 0 H ALA B 16 14.053 0.947 -5.712 1.00 10.03 H new ATOM 0 HA ALA B 16 14.952 1.512 -8.360 1.00 51.25 H new ATOM 0 HB1 ALA B 16 12.597 0.938 -8.936 1.00 62.23 H new ATOM 0 HB2 ALA B 16 13.298 -0.237 -7.798 1.00 62.23 H new ATOM 0 HB3 ALA B 16 12.168 1.006 -7.210 1.00 62.23 H new ATOM 1544 N LEU B 17 13.229 3.899 -6.874 1.00 22.31 N ATOM 1545 CA LEU B 17 12.887 5.350 -6.900 1.00 34.35 C ATOM 1546 C LEU B 17 14.128 6.251 -7.135 1.00 23.54 C ATOM 1547 O LEU B 17 14.015 7.337 -7.715 1.00 52.33 O ATOM 1548 CB LEU B 17 12.220 5.749 -5.560 1.00 33.41 C ATOM 1549 CG LEU B 17 10.879 5.042 -5.215 1.00 4.54 C ATOM 1550 CD1 LEU B 17 10.438 5.353 -3.770 1.00 13.43 C ATOM 1551 CD2 LEU B 17 9.787 5.428 -6.230 1.00 12.30 C ATOM 0 H LEU B 17 13.047 3.458 -5.973 1.00 22.31 H new ATOM 0 HA LEU B 17 12.203 5.504 -7.735 1.00 34.35 H new ATOM 0 HB2 LEU B 17 12.927 5.551 -4.755 1.00 33.41 H new ATOM 0 HB3 LEU B 17 12.045 6.825 -5.573 1.00 33.41 H new ATOM 0 HG LEU B 17 11.036 3.965 -5.281 1.00 4.54 H new ATOM 0 HD11 LEU B 17 9.497 4.844 -3.559 1.00 13.43 H new ATOM 0 HD12 LEU B 17 11.202 5.006 -3.074 1.00 13.43 H new ATOM 0 HD13 LEU B 17 10.303 6.428 -3.654 1.00 13.43 H new ATOM 0 HD21 LEU B 17 8.856 4.923 -5.972 1.00 12.30 H new ATOM 0 HD22 LEU B 17 9.634 6.507 -6.207 1.00 12.30 H new ATOM 0 HD23 LEU B 17 10.098 5.127 -7.231 1.00 12.30 H new ATOM 1563 N ASN B 18 15.307 5.791 -6.659 1.00 21.21 N ATOM 1564 CA ASN B 18 16.598 6.528 -6.797 1.00 51.11 C ATOM 1565 C ASN B 18 17.115 6.586 -8.261 1.00 31.24 C ATOM 1566 O ASN B 18 18.140 7.229 -8.529 1.00 1.43 O ATOM 1567 CB ASN B 18 17.674 5.910 -5.860 1.00 23.25 C ATOM 1568 CG ASN B 18 17.381 6.161 -4.380 1.00 1.13 C ATOM 1569 OD1 ASN B 18 17.851 7.126 -3.792 1.00 23.53 O ATOM 1570 ND2 ASN B 18 16.584 5.320 -3.773 1.00 23.20 N ATOM 0 H ASN B 18 15.398 4.901 -6.168 1.00 21.21 H new ATOM 0 HA ASN B 18 16.405 7.558 -6.499 1.00 51.11 H new ATOM 0 HB2 ASN B 18 17.732 4.836 -6.038 1.00 23.25 H new ATOM 0 HB3 ASN B 18 18.650 6.327 -6.109 1.00 23.25 H new ATOM 0 HD21 ASN B 18 16.344 5.462 -2.792 1.00 23.20 H new ATOM 0 HD22 ASN B 18 16.203 4.522 -4.281 1.00 23.20 H new ATOM 1577 N GLU B 19 16.429 5.892 -9.189 1.00 4.44 N ATOM 1578 CA GLU B 19 16.683 6.017 -10.637 1.00 74.23 C ATOM 1579 C GLU B 19 16.002 7.292 -11.199 1.00 51.42 C ATOM 1580 O GLU B 19 16.676 8.199 -11.704 1.00 44.21 O ATOM 1581 CB GLU B 19 16.163 4.762 -11.385 1.00 52.02 C ATOM 1582 CG GLU B 19 16.375 4.797 -12.919 1.00 73.40 C ATOM 1583 CD GLU B 19 15.810 3.565 -13.641 1.00 61.25 C ATOM 1584 OE1 GLU B 19 16.460 2.501 -13.611 1.00 23.30 O ATOM 1585 OE2 GLU B 19 14.705 3.644 -14.223 1.00 41.21 O ATOM 0 H GLU B 19 15.687 5.232 -8.958 1.00 4.44 H new ATOM 0 HA GLU B 19 17.759 6.099 -10.792 1.00 74.23 H new ATOM 0 HB2 GLU B 19 16.662 3.881 -10.982 1.00 52.02 H new ATOM 0 HB3 GLU B 19 15.099 4.647 -11.180 1.00 52.02 H new ATOM 0 HG2 GLU B 19 15.904 5.693 -13.323 1.00 73.40 H new ATOM 0 HG3 GLU B 19 17.442 4.875 -13.129 1.00 73.40 H new ATOM 1592 N ALA B 20 14.657 7.340 -11.087 1.00 14.42 N ATOM 1593 CA ALA B 20 13.833 8.454 -11.607 1.00 63.32 C ATOM 1594 C ALA B 20 12.438 8.472 -10.934 1.00 14.31 C ATOM 1595 O ALA B 20 11.775 7.435 -10.831 1.00 0.40 O ATOM 1596 CB ALA B 20 13.686 8.357 -13.143 1.00 2.31 C ATOM 0 H ALA B 20 14.111 6.607 -10.633 1.00 14.42 H new ATOM 0 HA ALA B 20 14.342 9.387 -11.366 1.00 63.32 H new ATOM 0 HB1 ALA B 20 13.077 9.186 -13.503 1.00 2.31 H new ATOM 0 HB2 ALA B 20 14.671 8.403 -13.606 1.00 2.31 H new ATOM 0 HB3 ALA B 20 13.206 7.414 -13.404 1.00 2.31 H new ATOM 1602 N ASP B 21 12.023 9.658 -10.466 1.00 60.10 N ATOM 1603 CA ASP B 21 10.684 9.894 -9.880 1.00 4.41 C ATOM 1604 C ASP B 21 9.565 9.936 -10.955 1.00 52.22 C ATOM 1605 O ASP B 21 9.835 9.896 -12.165 1.00 43.51 O ATOM 1606 CB ASP B 21 10.694 11.223 -9.100 1.00 32.43 C ATOM 1607 CG ASP B 21 11.741 11.261 -7.982 1.00 63.02 C ATOM 1608 OD1 ASP B 21 12.937 11.452 -8.283 1.00 74.42 O ATOM 1609 OD2 ASP B 21 11.375 11.125 -6.802 1.00 11.45 O ATOM 0 H ASP B 21 12.609 10.493 -10.481 1.00 60.10 H new ATOM 0 HA ASP B 21 10.467 9.059 -9.214 1.00 4.41 H new ATOM 0 HB2 ASP B 21 10.883 12.042 -9.794 1.00 32.43 H new ATOM 0 HB3 ASP B 21 9.707 11.391 -8.670 1.00 32.43 H new ATOM 1614 N GLY B 22 8.302 10.047 -10.492 1.00 72.41 N ATOM 1615 CA GLY B 22 7.136 10.093 -11.391 1.00 20.32 C ATOM 1616 C GLY B 22 6.808 8.721 -11.948 1.00 30.42 C ATOM 1617 O GLY B 22 6.724 8.525 -13.166 1.00 11.04 O ATOM 0 H GLY B 22 8.067 10.106 -9.501 1.00 72.41 H new ATOM 0 HA2 GLY B 22 6.274 10.483 -10.850 1.00 20.32 H new ATOM 0 HA3 GLY B 22 7.335 10.782 -12.212 1.00 20.32 H new ATOM 1621 N ILE B 23 6.621 7.771 -11.032 1.00 2.30 N ATOM 1622 CA ILE B 23 6.556 6.340 -11.350 1.00 71.04 C ATOM 1623 C ILE B 23 5.355 5.666 -10.636 1.00 4.33 C ATOM 1624 O ILE B 23 5.243 5.697 -9.409 1.00 4.22 O ATOM 1625 CB ILE B 23 7.933 5.666 -10.976 1.00 50.40 C ATOM 1626 CG1 ILE B 23 7.921 4.137 -11.256 1.00 13.10 C ATOM 1627 CG2 ILE B 23 8.351 5.970 -9.515 1.00 71.13 C ATOM 1628 CD1 ILE B 23 9.242 3.439 -10.982 1.00 24.21 C ATOM 0 H ILE B 23 6.509 7.972 -10.038 1.00 2.30 H new ATOM 0 HA ILE B 23 6.389 6.207 -12.419 1.00 71.04 H new ATOM 0 HB ILE B 23 8.687 6.111 -11.625 1.00 50.40 H new ATOM 0 HG12 ILE B 23 7.146 3.674 -10.645 1.00 13.10 H new ATOM 0 HG13 ILE B 23 7.646 3.973 -12.298 1.00 13.10 H new ATOM 0 HG21 ILE B 23 9.304 5.486 -9.301 1.00 71.13 H new ATOM 0 HG22 ILE B 23 8.453 7.047 -9.382 1.00 71.13 H new ATOM 0 HG23 ILE B 23 7.591 5.591 -8.833 1.00 71.13 H new ATOM 0 HD11 ILE B 23 9.145 2.376 -11.204 1.00 24.21 H new ATOM 0 HD12 ILE B 23 10.019 3.871 -11.612 1.00 24.21 H new ATOM 0 HD13 ILE B 23 9.511 3.568 -9.934 1.00 24.21 H new ATOM 1640 N SER B 24 4.444 5.084 -11.437 1.00 15.10 N ATOM 1641 CA SER B 24 3.238 4.382 -10.935 1.00 33.20 C ATOM 1642 C SER B 24 3.600 3.081 -10.178 1.00 24.34 C ATOM 1643 O SER B 24 4.711 2.567 -10.323 1.00 11.12 O ATOM 1644 CB SER B 24 2.292 4.056 -12.117 1.00 1.33 C ATOM 1645 OG SER B 24 1.877 5.225 -12.804 1.00 54.01 O ATOM 0 H SER B 24 4.519 5.085 -12.454 1.00 15.10 H new ATOM 0 HA SER B 24 2.737 5.046 -10.231 1.00 33.20 H new ATOM 0 HB2 SER B 24 2.799 3.387 -12.813 1.00 1.33 H new ATOM 0 HB3 SER B 24 1.416 3.524 -11.744 1.00 1.33 H new ATOM 0 HG SER B 24 2.208 6.017 -12.331 1.00 54.01 H new ATOM 1651 N ILE B 25 2.640 2.547 -9.393 1.00 62.20 N ATOM 1652 CA ILE B 25 2.836 1.288 -8.627 1.00 33.22 C ATOM 1653 C ILE B 25 3.167 0.063 -9.559 1.00 73.02 C ATOM 1654 O ILE B 25 4.110 -0.667 -9.257 1.00 23.43 O ATOM 1655 CB ILE B 25 1.596 0.940 -7.704 1.00 24.20 C ATOM 1656 CG1 ILE B 25 1.252 2.132 -6.756 1.00 34.51 C ATOM 1657 CG2 ILE B 25 1.843 -0.361 -6.897 1.00 25.24 C ATOM 1658 CD1 ILE B 25 0.071 1.910 -5.818 1.00 63.45 C ATOM 0 H ILE B 25 1.718 2.966 -9.270 1.00 62.20 H new ATOM 0 HA ILE B 25 3.697 1.473 -7.985 1.00 33.22 H new ATOM 0 HB ILE B 25 0.737 0.768 -8.353 1.00 24.20 H new ATOM 0 HG12 ILE B 25 2.132 2.360 -6.155 1.00 34.51 H new ATOM 0 HG13 ILE B 25 1.047 3.011 -7.367 1.00 34.51 H new ATOM 0 HG21 ILE B 25 0.974 -0.573 -6.273 1.00 25.24 H new ATOM 0 HG22 ILE B 25 2.007 -1.190 -7.585 1.00 25.24 H new ATOM 0 HG23 ILE B 25 2.722 -0.235 -6.264 1.00 25.24 H new ATOM 0 HD11 ILE B 25 -0.080 2.799 -5.206 1.00 63.45 H new ATOM 0 HD12 ILE B 25 -0.828 1.716 -6.404 1.00 63.45 H new ATOM 0 HD13 ILE B 25 0.274 1.055 -5.173 1.00 63.45 H new ATOM 1670 N PRO B 26 2.420 -0.193 -10.710 1.00 4.21 N ATOM 1671 CA PRO B 26 2.759 -1.316 -11.638 1.00 1.13 C ATOM 1672 C PRO B 26 4.087 -1.109 -12.428 1.00 50.41 C ATOM 1673 O PRO B 26 4.703 -2.083 -12.865 1.00 12.43 O ATOM 1674 CB PRO B 26 1.531 -1.379 -12.590 1.00 40.24 C ATOM 1675 CG PRO B 26 0.996 0.018 -12.592 1.00 45.24 C ATOM 1676 CD PRO B 26 1.183 0.511 -11.170 1.00 10.22 C ATOM 0 HA PRO B 26 2.940 -2.241 -11.091 1.00 1.13 H new ATOM 0 HB2 PRO B 26 1.820 -1.696 -13.592 1.00 40.24 H new ATOM 0 HB3 PRO B 26 0.786 -2.090 -12.233 1.00 40.24 H new ATOM 0 HG2 PRO B 26 1.535 0.646 -13.302 1.00 45.24 H new ATOM 0 HG3 PRO B 26 -0.055 0.038 -12.882 1.00 45.24 H new ATOM 0 HD2 PRO B 26 1.302 1.594 -11.134 1.00 10.22 H new ATOM 0 HD3 PRO B 26 0.325 0.264 -10.544 1.00 10.22 H new ATOM 1684 N GLU B 27 4.523 0.157 -12.585 1.00 44.32 N ATOM 1685 CA GLU B 27 5.814 0.502 -13.238 1.00 75.24 C ATOM 1686 C GLU B 27 6.970 0.085 -12.314 1.00 63.33 C ATOM 1687 O GLU B 27 7.919 -0.608 -12.702 1.00 61.44 O ATOM 1688 CB GLU B 27 5.881 2.034 -13.490 1.00 71.42 C ATOM 1689 CG GLU B 27 4.886 2.578 -14.532 1.00 24.24 C ATOM 1690 CD GLU B 27 5.208 2.116 -15.965 1.00 10.32 C ATOM 1691 OE1 GLU B 27 6.208 2.602 -16.541 1.00 72.23 O ATOM 1692 OE2 GLU B 27 4.486 1.251 -16.505 1.00 10.44 O ATOM 0 H GLU B 27 3.997 0.970 -12.266 1.00 44.32 H new ATOM 0 HA GLU B 27 5.893 -0.022 -14.191 1.00 75.24 H new ATOM 0 HB2 GLU B 27 5.708 2.548 -12.545 1.00 71.42 H new ATOM 0 HB3 GLU B 27 6.891 2.288 -13.811 1.00 71.42 H new ATOM 0 HG2 GLU B 27 3.879 2.255 -14.269 1.00 24.24 H new ATOM 0 HG3 GLU B 27 4.890 3.667 -14.497 1.00 24.24 H new ATOM 1699 N LEU B 28 6.819 0.534 -11.072 1.00 32.53 N ATOM 1700 CA LEU B 28 7.690 0.230 -9.936 1.00 34.24 C ATOM 1701 C LEU B 28 7.743 -1.293 -9.646 1.00 72.51 C ATOM 1702 O LEU B 28 8.810 -1.836 -9.360 1.00 54.15 O ATOM 1703 CB LEU B 28 7.123 1.026 -8.735 1.00 22.45 C ATOM 1704 CG LEU B 28 7.846 0.900 -7.373 1.00 5.41 C ATOM 1705 CD1 LEU B 28 9.304 1.401 -7.446 1.00 64.32 C ATOM 1706 CD2 LEU B 28 7.037 1.639 -6.285 1.00 24.23 C ATOM 0 H LEU B 28 6.048 1.151 -10.815 1.00 32.53 H new ATOM 0 HA LEU B 28 8.720 0.519 -10.143 1.00 34.24 H new ATOM 0 HB2 LEU B 28 7.110 2.081 -9.010 1.00 22.45 H new ATOM 0 HB3 LEU B 28 6.086 0.721 -8.592 1.00 22.45 H new ATOM 0 HG LEU B 28 7.902 -0.156 -7.107 1.00 5.41 H new ATOM 0 HD11 LEU B 28 9.775 1.295 -6.469 1.00 64.32 H new ATOM 0 HD12 LEU B 28 9.855 0.812 -8.180 1.00 64.32 H new ATOM 0 HD13 LEU B 28 9.314 2.450 -7.741 1.00 64.32 H new ATOM 0 HD21 LEU B 28 7.549 1.549 -5.327 1.00 24.23 H new ATOM 0 HD22 LEU B 28 6.948 2.692 -6.551 1.00 24.23 H new ATOM 0 HD23 LEU B 28 6.043 1.198 -6.209 1.00 24.23 H new ATOM 1718 N ALA B 29 6.578 -1.964 -9.776 1.00 55.15 N ATOM 1719 CA ALA B 29 6.420 -3.419 -9.513 1.00 34.32 C ATOM 1720 C ALA B 29 7.351 -4.292 -10.386 1.00 52.31 C ATOM 1721 O ALA B 29 7.974 -5.238 -9.891 1.00 62.02 O ATOM 1722 CB ALA B 29 4.955 -3.841 -9.717 1.00 74.05 C ATOM 0 H ALA B 29 5.712 -1.512 -10.068 1.00 55.15 H new ATOM 0 HA ALA B 29 6.710 -3.585 -8.475 1.00 34.32 H new ATOM 0 HB1 ALA B 29 4.853 -4.908 -9.521 1.00 74.05 H new ATOM 0 HB2 ALA B 29 4.317 -3.284 -9.031 1.00 74.05 H new ATOM 0 HB3 ALA B 29 4.655 -3.630 -10.744 1.00 74.05 H new ATOM 1728 N ARG B 30 7.450 -3.944 -11.679 1.00 30.13 N ATOM 1729 CA ARG B 30 8.274 -4.693 -12.655 1.00 3.31 C ATOM 1730 C ARG B 30 9.785 -4.515 -12.379 1.00 74.25 C ATOM 1731 O ARG B 30 10.567 -5.463 -12.530 1.00 51.53 O ATOM 1732 CB ARG B 30 7.924 -4.259 -14.100 1.00 12.34 C ATOM 1733 CG ARG B 30 6.419 -4.385 -14.434 1.00 24.52 C ATOM 1734 CD ARG B 30 6.089 -4.080 -15.904 1.00 73.33 C ATOM 1735 NE ARG B 30 4.633 -4.019 -16.131 1.00 14.30 N ATOM 1736 CZ ARG B 30 3.972 -4.610 -17.108 1.00 10.53 C ATOM 1737 NH1 ARG B 30 4.571 -5.376 -17.972 1.00 14.24 N ATOM 1738 NH2 ARG B 30 2.700 -4.420 -17.204 1.00 21.23 N ATOM 0 H ARG B 30 6.966 -3.141 -12.081 1.00 30.13 H new ATOM 0 HA ARG B 30 8.045 -5.753 -12.543 1.00 3.31 H new ATOM 0 HB2 ARG B 30 8.235 -3.225 -14.246 1.00 12.34 H new ATOM 0 HB3 ARG B 30 8.496 -4.866 -14.802 1.00 12.34 H new ATOM 0 HG2 ARG B 30 6.086 -5.396 -14.197 1.00 24.52 H new ATOM 0 HG3 ARG B 30 5.855 -3.706 -13.795 1.00 24.52 H new ATOM 0 HD2 ARG B 30 6.543 -3.131 -16.190 1.00 73.33 H new ATOM 0 HD3 ARG B 30 6.526 -4.848 -16.543 1.00 73.33 H new ATOM 0 HE ARG B 30 4.085 -3.468 -15.470 1.00 14.30 H new ATOM 0 HH11 ARG B 30 5.577 -5.532 -17.904 1.00 14.24 H new ATOM 0 HH12 ARG B 30 4.035 -5.820 -18.717 1.00 14.24 H new ATOM 0 HH21 ARG B 30 2.222 -3.821 -16.531 1.00 21.23 H new ATOM 0 HH22 ARG B 30 2.172 -4.869 -17.953 1.00 21.23 H new ATOM 1752 N LYS B 31 10.174 -3.294 -11.955 1.00 4.34 N ATOM 1753 CA LYS B 31 11.568 -2.977 -11.557 1.00 71.35 C ATOM 1754 C LYS B 31 11.989 -3.785 -10.304 1.00 12.30 C ATOM 1755 O LYS B 31 13.085 -4.351 -10.249 1.00 34.51 O ATOM 1756 CB LYS B 31 11.710 -1.461 -11.254 1.00 54.33 C ATOM 1757 CG LYS B 31 11.368 -0.530 -12.435 1.00 14.00 C ATOM 1758 CD LYS B 31 11.526 0.965 -12.067 1.00 73.14 C ATOM 1759 CE LYS B 31 12.979 1.367 -11.741 1.00 53.31 C ATOM 1760 NZ LYS B 31 13.875 1.209 -12.909 1.00 42.03 N ATOM 0 H LYS B 31 9.536 -2.502 -11.878 1.00 4.34 H new ATOM 0 HA LYS B 31 12.219 -3.250 -12.388 1.00 71.35 H new ATOM 0 HB2 LYS B 31 11.063 -1.211 -10.413 1.00 54.33 H new ATOM 0 HB3 LYS B 31 12.734 -1.262 -10.938 1.00 54.33 H new ATOM 0 HG2 LYS B 31 12.016 -0.765 -13.280 1.00 14.00 H new ATOM 0 HG3 LYS B 31 10.344 -0.717 -12.757 1.00 14.00 H new ATOM 0 HD2 LYS B 31 11.165 1.575 -12.895 1.00 73.14 H new ATOM 0 HD3 LYS B 31 10.894 1.188 -11.208 1.00 73.14 H new ATOM 0 HE2 LYS B 31 13.001 2.404 -11.405 1.00 53.31 H new ATOM 0 HE3 LYS B 31 13.347 0.757 -10.917 1.00 53.31 H new ATOM 0 HZ1 LYS B 31 14.865 1.275 -12.598 1.00 42.03 H new ATOM 0 HZ2 LYS B 31 13.711 0.281 -13.349 1.00 42.03 H new ATOM 0 HZ3 LYS B 31 13.679 1.960 -13.601 1.00 42.03 H new ATOM 1774 N VAL B 32 11.088 -3.832 -9.306 1.00 63.42 N ATOM 1775 CA VAL B 32 11.352 -4.483 -7.998 1.00 73.13 C ATOM 1776 C VAL B 32 10.996 -5.988 -7.997 1.00 51.11 C ATOM 1777 O VAL B 32 11.089 -6.646 -6.951 1.00 50.01 O ATOM 1778 CB VAL B 32 10.602 -3.729 -6.847 1.00 34.35 C ATOM 1779 CG1 VAL B 32 10.960 -2.227 -6.883 1.00 21.00 C ATOM 1780 CG2 VAL B 32 9.068 -3.940 -6.910 1.00 2.15 C ATOM 0 H VAL B 32 10.157 -3.422 -9.377 1.00 63.42 H new ATOM 0 HA VAL B 32 12.426 -4.418 -7.821 1.00 73.13 H new ATOM 0 HB VAL B 32 10.934 -4.151 -5.898 1.00 34.35 H new ATOM 0 HG11 VAL B 32 10.435 -1.709 -6.080 1.00 21.00 H new ATOM 0 HG12 VAL B 32 12.035 -2.106 -6.751 1.00 21.00 H new ATOM 0 HG13 VAL B 32 10.662 -1.805 -7.843 1.00 21.00 H new ATOM 0 HG21 VAL B 32 8.592 -3.398 -6.092 1.00 2.15 H new ATOM 0 HG22 VAL B 32 8.688 -3.568 -7.861 1.00 2.15 H new ATOM 0 HG23 VAL B 32 8.843 -5.003 -6.820 1.00 2.15 H new ATOM 1790 N ASN B 33 10.614 -6.510 -9.186 1.00 65.32 N ATOM 1791 CA ASN B 33 10.404 -7.960 -9.449 1.00 25.10 C ATOM 1792 C ASN B 33 9.153 -8.542 -8.716 1.00 4.34 C ATOM 1793 O ASN B 33 9.011 -9.767 -8.594 1.00 40.12 O ATOM 1794 CB ASN B 33 11.696 -8.780 -9.111 1.00 71.31 C ATOM 1795 CG ASN B 33 12.955 -8.269 -9.829 1.00 62.13 C ATOM 1796 OD1 ASN B 33 13.689 -7.427 -9.317 1.00 30.21 O ATOM 1797 ND2 ASN B 33 13.214 -8.773 -11.017 1.00 53.34 N ATOM 0 H ASN B 33 10.439 -5.929 -10.006 1.00 65.32 H new ATOM 0 HA ASN B 33 10.200 -8.057 -10.515 1.00 25.10 H new ATOM 0 HB2 ASN B 33 11.864 -8.749 -8.035 1.00 71.31 H new ATOM 0 HB3 ASN B 33 11.534 -9.824 -9.379 1.00 71.31 H new ATOM 0 HD21 ASN B 33 14.039 -8.466 -11.533 1.00 53.34 H new ATOM 0 HD22 ASN B 33 12.590 -9.471 -11.422 1.00 53.34 H new ATOM 1804 N LEU B 34 8.234 -7.661 -8.268 1.00 12.12 N ATOM 1805 CA LEU B 34 7.011 -8.056 -7.515 1.00 62.23 C ATOM 1806 C LEU B 34 5.719 -7.842 -8.340 1.00 30.03 C ATOM 1807 O LEU B 34 5.746 -7.302 -9.449 1.00 74.32 O ATOM 1808 CB LEU B 34 6.896 -7.222 -6.214 1.00 13.40 C ATOM 1809 CG LEU B 34 8.111 -7.238 -5.243 1.00 44.22 C ATOM 1810 CD1 LEU B 34 7.860 -6.260 -4.077 1.00 71.34 C ATOM 1811 CD2 LEU B 34 8.412 -8.668 -4.735 1.00 32.11 C ATOM 0 H LEU B 34 8.313 -6.655 -8.415 1.00 12.12 H new ATOM 0 HA LEU B 34 7.110 -9.118 -7.291 1.00 62.23 H new ATOM 0 HB2 LEU B 34 6.702 -6.187 -6.494 1.00 13.40 H new ATOM 0 HB3 LEU B 34 6.022 -7.573 -5.665 1.00 13.40 H new ATOM 0 HG LEU B 34 8.996 -6.907 -5.786 1.00 44.22 H new ATOM 0 HD11 LEU B 34 8.714 -6.275 -3.400 1.00 71.34 H new ATOM 0 HD12 LEU B 34 7.726 -5.252 -4.470 1.00 71.34 H new ATOM 0 HD13 LEU B 34 6.963 -6.561 -3.536 1.00 71.34 H new ATOM 0 HD21 LEU B 34 9.267 -8.642 -4.059 1.00 32.11 H new ATOM 0 HD22 LEU B 34 7.542 -9.057 -4.205 1.00 32.11 H new ATOM 0 HD23 LEU B 34 8.639 -9.315 -5.582 1.00 32.11 H new ATOM 1823 N SER B 35 4.588 -8.279 -7.756 1.00 10.43 N ATOM 1824 CA SER B 35 3.231 -7.932 -8.240 1.00 23.21 C ATOM 1825 C SER B 35 2.782 -6.562 -7.668 1.00 64.21 C ATOM 1826 O SER B 35 3.309 -6.114 -6.646 1.00 74.43 O ATOM 1827 CB SER B 35 2.227 -9.036 -7.826 1.00 63.32 C ATOM 1828 OG SER B 35 2.593 -10.306 -8.353 1.00 1.05 O ATOM 0 H SER B 35 4.585 -8.883 -6.934 1.00 10.43 H new ATOM 0 HA SER B 35 3.256 -7.860 -9.327 1.00 23.21 H new ATOM 0 HB2 SER B 35 2.178 -9.094 -6.739 1.00 63.32 H new ATOM 0 HB3 SER B 35 1.230 -8.771 -8.176 1.00 63.32 H new ATOM 0 HG SER B 35 1.938 -10.978 -8.070 1.00 1.05 H new ATOM 1834 N VAL B 36 1.774 -5.937 -8.318 1.00 42.34 N ATOM 1835 CA VAL B 36 1.277 -4.569 -7.976 1.00 62.22 C ATOM 1836 C VAL B 36 0.884 -4.431 -6.473 1.00 73.44 C ATOM 1837 O VAL B 36 1.327 -3.503 -5.792 1.00 21.31 O ATOM 1838 CB VAL B 36 0.046 -4.175 -8.885 1.00 32.14 C ATOM 1839 CG1 VAL B 36 -0.498 -2.758 -8.556 1.00 24.44 C ATOM 1840 CG2 VAL B 36 0.408 -4.296 -10.386 1.00 14.11 C ATOM 0 H VAL B 36 1.275 -6.363 -9.099 1.00 42.34 H new ATOM 0 HA VAL B 36 2.105 -3.885 -8.165 1.00 62.22 H new ATOM 0 HB VAL B 36 -0.754 -4.882 -8.665 1.00 32.14 H new ATOM 0 HG11 VAL B 36 -1.343 -2.533 -9.207 1.00 24.44 H new ATOM 0 HG12 VAL B 36 -0.822 -2.725 -7.516 1.00 24.44 H new ATOM 0 HG13 VAL B 36 0.289 -2.020 -8.714 1.00 24.44 H new ATOM 0 HG21 VAL B 36 -0.455 -4.020 -10.992 1.00 14.11 H new ATOM 0 HG22 VAL B 36 1.240 -3.630 -10.614 1.00 14.11 H new ATOM 0 HG23 VAL B 36 0.694 -5.324 -10.610 1.00 14.11 H new ATOM 1850 N GLU B 37 0.071 -5.386 -5.982 1.00 54.12 N ATOM 1851 CA GLU B 37 -0.401 -5.421 -4.565 1.00 50.30 C ATOM 1852 C GLU B 37 0.780 -5.527 -3.561 1.00 11.30 C ATOM 1853 O GLU B 37 0.853 -4.764 -2.588 1.00 64.22 O ATOM 1854 CB GLU B 37 -1.358 -6.626 -4.363 1.00 73.51 C ATOM 1855 CG GLU B 37 -2.593 -6.628 -5.282 1.00 41.23 C ATOM 1856 CD GLU B 37 -3.401 -7.940 -5.192 1.00 2.11 C ATOM 1857 OE1 GLU B 37 -4.246 -8.077 -4.278 1.00 10.42 O ATOM 1858 OE2 GLU B 37 -3.173 -8.846 -6.030 1.00 71.44 O ATOM 0 H GLU B 37 -0.282 -6.158 -6.547 1.00 54.12 H new ATOM 0 HA GLU B 37 -0.924 -4.485 -4.369 1.00 50.30 H new ATOM 0 HB2 GLU B 37 -0.799 -7.548 -4.526 1.00 73.51 H new ATOM 0 HB3 GLU B 37 -1.694 -6.636 -3.326 1.00 73.51 H new ATOM 0 HG2 GLU B 37 -3.238 -5.790 -5.018 1.00 41.23 H new ATOM 0 HG3 GLU B 37 -2.274 -6.473 -6.313 1.00 41.23 H new ATOM 1865 N SER B 38 1.702 -6.473 -3.834 1.00 50.53 N ATOM 1866 CA SER B 38 2.898 -6.740 -2.984 1.00 3.11 C ATOM 1867 C SER B 38 3.846 -5.514 -2.918 1.00 12.31 C ATOM 1868 O SER B 38 4.431 -5.220 -1.867 1.00 40.04 O ATOM 1869 CB SER B 38 3.664 -7.975 -3.517 1.00 64.55 C ATOM 1870 OG SER B 38 4.763 -8.323 -2.679 1.00 14.31 O ATOM 0 H SER B 38 1.645 -7.080 -4.652 1.00 50.53 H new ATOM 0 HA SER B 38 2.545 -6.939 -1.972 1.00 3.11 H new ATOM 0 HB2 SER B 38 2.981 -8.822 -3.590 1.00 64.55 H new ATOM 0 HB3 SER B 38 4.027 -7.770 -4.524 1.00 64.55 H new ATOM 0 HG SER B 38 5.220 -9.108 -3.048 1.00 14.31 H new ATOM 1876 N THR B 39 3.970 -4.802 -4.056 1.00 51.14 N ATOM 1877 CA THR B 39 4.801 -3.579 -4.172 1.00 72.04 C ATOM 1878 C THR B 39 4.199 -2.403 -3.368 1.00 21.22 C ATOM 1879 O THR B 39 4.891 -1.800 -2.555 1.00 65.22 O ATOM 1880 CB THR B 39 4.984 -3.164 -5.672 1.00 63.12 C ATOM 1881 OG1 THR B 39 5.595 -4.239 -6.396 1.00 42.14 O ATOM 1882 CG2 THR B 39 5.841 -1.892 -5.843 1.00 75.34 C ATOM 0 H THR B 39 3.498 -5.056 -4.924 1.00 51.14 H new ATOM 0 HA THR B 39 5.778 -3.814 -3.751 1.00 72.04 H new ATOM 0 HB THR B 39 3.991 -2.945 -6.064 1.00 63.12 H new ATOM 0 HG1 THR B 39 4.935 -4.947 -6.550 1.00 42.14 H new ATOM 0 HG21 THR B 39 5.932 -1.655 -6.903 1.00 75.34 H new ATOM 0 HG22 THR B 39 5.365 -1.060 -5.324 1.00 75.34 H new ATOM 0 HG23 THR B 39 6.832 -2.062 -5.423 1.00 75.34 H new ATOM 1890 N ALA B 40 2.896 -2.119 -3.591 1.00 44.24 N ATOM 1891 CA ALA B 40 2.156 -1.016 -2.905 1.00 24.25 C ATOM 1892 C ALA B 40 2.242 -1.132 -1.362 1.00 10.20 C ATOM 1893 O ALA B 40 2.496 -0.147 -0.655 1.00 44.04 O ATOM 1894 CB ALA B 40 0.684 -1.028 -3.354 1.00 34.51 C ATOM 0 H ALA B 40 2.321 -2.643 -4.250 1.00 44.24 H new ATOM 0 HA ALA B 40 2.623 -0.072 -3.187 1.00 24.25 H new ATOM 0 HB1 ALA B 40 0.144 -0.224 -2.854 1.00 34.51 H new ATOM 0 HB2 ALA B 40 0.632 -0.884 -4.433 1.00 34.51 H new ATOM 0 HB3 ALA B 40 0.232 -1.985 -3.094 1.00 34.51 H new ATOM 1900 N LEU B 41 2.050 -2.362 -0.873 1.00 62.31 N ATOM 1901 CA LEU B 41 2.128 -2.712 0.561 1.00 30.11 C ATOM 1902 C LEU B 41 3.583 -2.530 1.110 1.00 40.25 C ATOM 1903 O LEU B 41 3.770 -2.082 2.249 1.00 13.12 O ATOM 1904 CB LEU B 41 1.555 -4.166 0.720 1.00 62.20 C ATOM 1905 CG LEU B 41 1.507 -4.849 2.138 1.00 54.23 C ATOM 1906 CD1 LEU B 41 2.806 -5.604 2.444 1.00 1.21 C ATOM 1907 CD2 LEU B 41 1.162 -3.853 3.267 1.00 62.43 C ATOM 0 H LEU B 41 1.832 -3.161 -1.468 1.00 62.31 H new ATOM 0 HA LEU B 41 1.526 -2.038 1.171 1.00 30.11 H new ATOM 0 HB2 LEU B 41 0.537 -4.156 0.332 1.00 62.20 H new ATOM 0 HB3 LEU B 41 2.138 -4.816 0.068 1.00 62.20 H new ATOM 0 HG LEU B 41 0.696 -5.576 2.101 1.00 54.23 H new ATOM 0 HD11 LEU B 41 2.737 -6.062 3.430 1.00 1.21 H new ATOM 0 HD12 LEU B 41 2.962 -6.379 1.694 1.00 1.21 H new ATOM 0 HD13 LEU B 41 3.644 -4.908 2.426 1.00 1.21 H new ATOM 0 HD21 LEU B 41 1.143 -4.378 4.222 1.00 62.43 H new ATOM 0 HD22 LEU B 41 1.915 -3.066 3.301 1.00 62.43 H new ATOM 0 HD23 LEU B 41 0.184 -3.411 3.076 1.00 62.43 H new ATOM 1919 N ALA B 42 4.602 -2.840 0.278 1.00 74.35 N ATOM 1920 CA ALA B 42 6.034 -2.634 0.643 1.00 64.00 C ATOM 1921 C ALA B 42 6.401 -1.124 0.752 1.00 1.43 C ATOM 1922 O ALA B 42 7.149 -0.720 1.650 1.00 10.34 O ATOM 1923 CB ALA B 42 6.950 -3.344 -0.372 1.00 71.32 C ATOM 0 H ALA B 42 4.466 -3.234 -0.653 1.00 74.35 H new ATOM 0 HA ALA B 42 6.187 -3.072 1.629 1.00 64.00 H new ATOM 0 HB1 ALA B 42 7.992 -3.186 -0.094 1.00 71.32 H new ATOM 0 HB2 ALA B 42 6.733 -4.412 -0.373 1.00 71.32 H new ATOM 0 HB3 ALA B 42 6.774 -2.937 -1.368 1.00 71.32 H new ATOM 1929 N VAL B 43 5.856 -0.299 -0.168 1.00 15.14 N ATOM 1930 CA VAL B 43 6.049 1.179 -0.165 1.00 44.54 C ATOM 1931 C VAL B 43 5.349 1.844 1.063 1.00 23.15 C ATOM 1932 O VAL B 43 5.786 2.895 1.549 1.00 32.34 O ATOM 1933 CB VAL B 43 5.548 1.842 -1.508 1.00 72.33 C ATOM 1934 CG1 VAL B 43 5.903 3.348 -1.575 1.00 21.50 C ATOM 1935 CG2 VAL B 43 6.112 1.111 -2.747 1.00 35.54 C ATOM 0 H VAL B 43 5.270 -0.631 -0.934 1.00 15.14 H new ATOM 0 HA VAL B 43 7.122 1.354 -0.086 1.00 44.54 H new ATOM 0 HB VAL B 43 4.462 1.747 -1.514 1.00 72.33 H new ATOM 0 HG11 VAL B 43 5.541 3.766 -2.514 1.00 21.50 H new ATOM 0 HG12 VAL B 43 5.434 3.870 -0.741 1.00 21.50 H new ATOM 0 HG13 VAL B 43 6.985 3.470 -1.517 1.00 21.50 H new ATOM 0 HG21 VAL B 43 5.746 1.595 -3.653 1.00 35.54 H new ATOM 0 HG22 VAL B 43 7.201 1.151 -2.729 1.00 35.54 H new ATOM 0 HG23 VAL B 43 5.787 0.071 -2.735 1.00 35.54 H new ATOM 1945 N GLY B 44 4.255 1.222 1.546 1.00 32.22 N ATOM 1946 CA GLY B 44 3.559 1.666 2.777 1.00 40.41 C ATOM 1947 C GLY B 44 4.458 1.723 4.039 1.00 14.13 C ATOM 1948 O GLY B 44 4.213 2.526 4.948 1.00 22.31 O ATOM 0 H GLY B 44 3.831 0.407 1.102 1.00 32.22 H new ATOM 0 HA2 GLY B 44 3.136 2.655 2.603 1.00 40.41 H new ATOM 0 HA3 GLY B 44 2.725 0.992 2.971 1.00 40.41 H new ATOM 1952 N TRP B 45 5.509 0.872 4.079 1.00 5.04 N ATOM 1953 CA TRP B 45 6.523 0.870 5.171 1.00 70.21 C ATOM 1954 C TRP B 45 7.499 2.088 5.051 1.00 50.42 C ATOM 1955 O TRP B 45 8.100 2.522 6.041 1.00 70.41 O ATOM 1956 CB TRP B 45 7.298 -0.476 5.165 1.00 23.13 C ATOM 1957 CG TRP B 45 8.246 -0.672 6.338 1.00 10.24 C ATOM 1958 CD1 TRP B 45 9.612 -0.538 6.343 1.00 64.15 C ATOM 1959 CD2 TRP B 45 7.882 -1.026 7.682 1.00 21.35 C ATOM 1960 NE1 TRP B 45 10.111 -0.805 7.591 1.00 1.00 N ATOM 1961 CE2 TRP B 45 9.073 -1.106 8.430 1.00 25.14 C ATOM 1962 CE3 TRP B 45 6.665 -1.293 8.323 1.00 24.34 C ATOM 1963 CZ2 TRP B 45 9.082 -1.438 9.781 1.00 4.53 C ATOM 1964 CZ3 TRP B 45 6.677 -1.616 9.665 1.00 43.33 C ATOM 1965 CH2 TRP B 45 7.878 -1.689 10.382 1.00 21.13 C ATOM 0 H TRP B 45 5.682 0.168 3.361 1.00 5.04 H new ATOM 0 HA TRP B 45 6.005 0.972 6.124 1.00 70.21 H new ATOM 0 HB2 TRP B 45 6.577 -1.294 5.158 1.00 23.13 H new ATOM 0 HB3 TRP B 45 7.869 -0.546 4.239 1.00 23.13 H new ATOM 0 HD1 TRP B 45 10.208 -0.262 5.486 1.00 64.15 H new ATOM 0 HE1 TRP B 45 11.097 -0.783 7.852 1.00 1.00 H new ATOM 0 HE3 TRP B 45 5.734 -1.247 7.777 1.00 24.34 H new ATOM 0 HZ2 TRP B 45 10.007 -1.496 10.336 1.00 4.53 H new ATOM 0 HZ3 TRP B 45 5.744 -1.816 10.171 1.00 43.33 H new ATOM 0 HH2 TRP B 45 7.854 -1.949 11.430 1.00 21.13 H new ATOM 1976 N LEU B 46 7.655 2.622 3.826 1.00 1.40 N ATOM 1977 CA LEU B 46 8.429 3.866 3.563 1.00 25.21 C ATOM 1978 C LEU B 46 7.675 5.122 4.058 1.00 4.25 C ATOM 1979 O LEU B 46 8.300 6.092 4.502 1.00 42.13 O ATOM 1980 CB LEU B 46 8.729 3.990 2.051 1.00 23.54 C ATOM 1981 CG LEU B 46 9.561 2.827 1.443 1.00 23.42 C ATOM 1982 CD1 LEU B 46 9.661 2.957 -0.091 1.00 42.11 C ATOM 1983 CD2 LEU B 46 10.953 2.752 2.110 1.00 30.42 C ATOM 0 H LEU B 46 7.251 2.209 2.985 1.00 1.40 H new ATOM 0 HA LEU B 46 9.366 3.801 4.117 1.00 25.21 H new ATOM 0 HB2 LEU B 46 7.783 4.058 1.514 1.00 23.54 H new ATOM 0 HB3 LEU B 46 9.262 4.925 1.878 1.00 23.54 H new ATOM 0 HG LEU B 46 9.046 1.888 1.648 1.00 23.42 H new ATOM 0 HD11 LEU B 46 10.249 2.130 -0.489 1.00 42.11 H new ATOM 0 HD12 LEU B 46 8.661 2.933 -0.524 1.00 42.11 H new ATOM 0 HD13 LEU B 46 10.144 3.900 -0.345 1.00 42.11 H new ATOM 0 HD21 LEU B 46 11.522 1.932 1.672 1.00 30.42 H new ATOM 0 HD22 LEU B 46 11.485 3.690 1.949 1.00 30.42 H new ATOM 0 HD23 LEU B 46 10.835 2.581 3.180 1.00 30.42 H new ATOM 1995 N ALA B 47 6.327 5.099 3.921 1.00 53.42 N ATOM 1996 CA ALA B 47 5.421 6.143 4.477 1.00 32.01 C ATOM 1997 C ALA B 47 5.587 6.313 6.014 1.00 34.03 C ATOM 1998 O ALA B 47 5.445 7.423 6.540 1.00 14.23 O ATOM 1999 CB ALA B 47 3.959 5.819 4.121 1.00 74.44 C ATOM 0 H ALA B 47 5.834 4.358 3.423 1.00 53.42 H new ATOM 0 HA ALA B 47 5.700 7.094 4.022 1.00 32.01 H new ATOM 0 HB1 ALA B 47 3.305 6.588 4.532 1.00 74.44 H new ATOM 0 HB2 ALA B 47 3.847 5.789 3.037 1.00 74.44 H new ATOM 0 HB3 ALA B 47 3.688 4.850 4.541 1.00 74.44 H new ATOM 2005 N ARG B 48 5.888 5.193 6.707 1.00 5.40 N ATOM 2006 CA ARG B 48 6.296 5.185 8.141 1.00 20.40 C ATOM 2007 C ARG B 48 7.510 6.120 8.392 1.00 23.34 C ATOM 2008 O ARG B 48 7.497 6.952 9.305 1.00 64.13 O ATOM 2009 CB ARG B 48 6.652 3.728 8.569 1.00 2.11 C ATOM 2010 CG ARG B 48 7.428 3.591 9.908 1.00 64.23 C ATOM 2011 CD ARG B 48 7.882 2.146 10.194 1.00 11.53 C ATOM 2012 NE ARG B 48 8.749 2.064 11.389 1.00 21.21 N ATOM 2013 CZ ARG B 48 10.030 1.730 11.398 1.00 45.20 C ATOM 2014 NH1 ARG B 48 10.663 1.447 10.293 1.00 55.10 N ATOM 2015 NH2 ARG B 48 10.667 1.702 12.522 1.00 31.35 N ATOM 0 H ARG B 48 5.857 4.262 6.291 1.00 5.40 H new ATOM 0 HA ARG B 48 5.462 5.555 8.737 1.00 20.40 H new ATOM 0 HB2 ARG B 48 5.728 3.155 8.645 1.00 2.11 H new ATOM 0 HB3 ARG B 48 7.246 3.271 7.777 1.00 2.11 H new ATOM 0 HG2 ARG B 48 8.301 4.243 9.884 1.00 64.23 H new ATOM 0 HG3 ARG B 48 6.795 3.936 10.726 1.00 64.23 H new ATOM 0 HD2 ARG B 48 7.007 1.513 10.337 1.00 11.53 H new ATOM 0 HD3 ARG B 48 8.419 1.757 9.329 1.00 11.53 H new ATOM 0 HE ARG B 48 8.321 2.285 12.288 1.00 21.21 H new ATOM 0 HH11 ARG B 48 10.171 1.481 9.400 1.00 55.10 H new ATOM 0 HH12 ARG B 48 11.650 1.192 10.322 1.00 55.10 H new ATOM 0 HH21 ARG B 48 10.183 1.936 13.389 1.00 31.35 H new ATOM 0 HH22 ARG B 48 11.654 1.446 12.542 1.00 31.35 H new ATOM 2029 N GLU B 49 8.552 5.960 7.563 1.00 40.33 N ATOM 2030 CA GLU B 49 9.803 6.748 7.660 1.00 32.15 C ATOM 2031 C GLU B 49 9.721 8.093 6.891 1.00 13.12 C ATOM 2032 O GLU B 49 10.684 8.862 6.894 1.00 35.44 O ATOM 2033 CB GLU B 49 10.993 5.898 7.149 1.00 51.01 C ATOM 2034 CG GLU B 49 11.245 4.587 7.929 1.00 2.51 C ATOM 2035 CD GLU B 49 12.487 3.834 7.422 1.00 41.13 C ATOM 2036 OE1 GLU B 49 13.615 4.322 7.656 1.00 73.44 O ATOM 2037 OE2 GLU B 49 12.353 2.779 6.760 1.00 72.00 O ATOM 0 H GLU B 49 8.557 5.280 6.802 1.00 40.33 H new ATOM 0 HA GLU B 49 9.955 7.000 8.710 1.00 32.15 H new ATOM 0 HB2 GLU B 49 10.820 5.652 6.101 1.00 51.01 H new ATOM 0 HB3 GLU B 49 11.897 6.506 7.189 1.00 51.01 H new ATOM 0 HG2 GLU B 49 11.368 4.815 8.988 1.00 2.51 H new ATOM 0 HG3 GLU B 49 10.371 3.941 7.842 1.00 2.51 H new ATOM 2044 N ASN B 50 8.565 8.344 6.232 1.00 34.11 N ATOM 2045 CA ASN B 50 8.252 9.614 5.515 1.00 5.11 C ATOM 2046 C ASN B 50 9.193 9.881 4.300 1.00 2.20 C ATOM 2047 O ASN B 50 9.285 11.014 3.820 1.00 53.43 O ATOM 2048 CB ASN B 50 8.268 10.833 6.503 1.00 1.43 C ATOM 2049 CG ASN B 50 7.413 10.620 7.761 1.00 63.33 C ATOM 2050 OD1 ASN B 50 6.437 9.879 7.752 1.00 51.02 O ATOM 2051 ND2 ASN B 50 7.754 11.280 8.848 1.00 63.52 N ATOM 0 H ASN B 50 7.808 7.662 6.180 1.00 34.11 H new ATOM 0 HA ASN B 50 7.247 9.496 5.110 1.00 5.11 H new ATOM 0 HB2 ASN B 50 9.297 11.032 6.803 1.00 1.43 H new ATOM 0 HB3 ASN B 50 7.912 11.719 5.978 1.00 1.43 H new ATOM 0 HD21 ASN B 50 7.203 11.179 9.700 1.00 63.52 H new ATOM 0 HD22 ASN B 50 8.569 11.893 8.838 1.00 63.52 H new ATOM 2058 N LYS B 51 9.828 8.816 3.756 1.00 65.33 N ATOM 2059 CA LYS B 51 10.864 8.940 2.690 1.00 34.22 C ATOM 2060 C LYS B 51 10.264 8.979 1.261 1.00 30.12 C ATOM 2061 O LYS B 51 11.012 9.040 0.278 1.00 34.44 O ATOM 2062 CB LYS B 51 11.879 7.770 2.801 1.00 23.43 C ATOM 2063 CG LYS B 51 12.684 7.752 4.119 1.00 22.55 C ATOM 2064 CD LYS B 51 13.686 6.571 4.209 1.00 23.24 C ATOM 2065 CE LYS B 51 13.008 5.190 4.095 1.00 3.10 C ATOM 2066 NZ LYS B 51 13.934 4.071 4.420 1.00 41.43 N ATOM 0 H LYS B 51 9.643 7.853 4.037 1.00 65.33 H new ATOM 0 HA LYS B 51 11.367 9.894 2.849 1.00 34.22 H new ATOM 0 HB2 LYS B 51 11.341 6.827 2.704 1.00 23.43 H new ATOM 0 HB3 LYS B 51 12.575 7.827 1.964 1.00 23.43 H new ATOM 0 HG2 LYS B 51 13.229 8.691 4.216 1.00 22.55 H new ATOM 0 HG3 LYS B 51 11.992 7.697 4.959 1.00 22.55 H new ATOM 0 HD2 LYS B 51 14.428 6.671 3.417 1.00 23.24 H new ATOM 0 HD3 LYS B 51 14.222 6.629 5.157 1.00 23.24 H new ATOM 0 HE2 LYS B 51 12.150 5.154 4.766 1.00 3.10 H new ATOM 0 HE3 LYS B 51 12.626 5.059 3.082 1.00 3.10 H new ATOM 0 HZ1 LYS B 51 13.432 3.359 4.987 1.00 41.43 H new ATOM 0 HZ2 LYS B 51 14.274 3.635 3.539 1.00 41.43 H new ATOM 0 HZ3 LYS B 51 14.744 4.436 4.961 1.00 41.43 H new ATOM 2080 N VAL B 52 8.922 8.928 1.149 1.00 43.35 N ATOM 2081 CA VAL B 52 8.209 8.945 -0.156 1.00 72.54 C ATOM 2082 C VAL B 52 7.087 10.012 -0.191 1.00 73.22 C ATOM 2083 O VAL B 52 6.586 10.435 0.851 1.00 33.24 O ATOM 2084 CB VAL B 52 7.599 7.527 -0.495 1.00 53.02 C ATOM 2085 CG1 VAL B 52 8.716 6.491 -0.768 1.00 3.14 C ATOM 2086 CG2 VAL B 52 6.644 7.035 0.628 1.00 44.53 C ATOM 0 H VAL B 52 8.298 8.874 1.954 1.00 43.35 H new ATOM 0 HA VAL B 52 8.952 9.204 -0.910 1.00 72.54 H new ATOM 0 HB VAL B 52 7.009 7.633 -1.405 1.00 53.02 H new ATOM 0 HG11 VAL B 52 8.268 5.525 -0.998 1.00 3.14 H new ATOM 0 HG12 VAL B 52 9.320 6.821 -1.613 1.00 3.14 H new ATOM 0 HG13 VAL B 52 9.348 6.396 0.115 1.00 3.14 H new ATOM 0 HG21 VAL B 52 6.243 6.057 0.362 1.00 44.53 H new ATOM 0 HG22 VAL B 52 7.194 6.958 1.566 1.00 44.53 H new ATOM 0 HG23 VAL B 52 5.824 7.744 0.745 1.00 44.53 H new ATOM 2096 N VAL B 53 6.736 10.462 -1.411 1.00 11.35 N ATOM 2097 CA VAL B 53 5.541 11.299 -1.666 1.00 44.52 C ATOM 2098 C VAL B 53 4.618 10.550 -2.663 1.00 12.33 C ATOM 2099 O VAL B 53 4.847 10.584 -3.871 1.00 63.13 O ATOM 2100 CB VAL B 53 5.913 12.731 -2.238 1.00 10.44 C ATOM 2101 CG1 VAL B 53 4.644 13.615 -2.410 1.00 45.51 C ATOM 2102 CG2 VAL B 53 6.980 13.439 -1.356 1.00 52.42 C ATOM 0 H VAL B 53 7.274 10.256 -2.253 1.00 11.35 H new ATOM 0 HA VAL B 53 5.031 11.465 -0.717 1.00 44.52 H new ATOM 0 HB VAL B 53 6.352 12.585 -3.225 1.00 10.44 H new ATOM 0 HG11 VAL B 53 4.931 14.590 -2.804 1.00 45.51 H new ATOM 0 HG12 VAL B 53 3.955 13.132 -3.103 1.00 45.51 H new ATOM 0 HG13 VAL B 53 4.156 13.743 -1.444 1.00 45.51 H new ATOM 0 HG21 VAL B 53 7.210 14.417 -1.778 1.00 52.42 H new ATOM 0 HG22 VAL B 53 6.592 13.562 -0.345 1.00 52.42 H new ATOM 0 HG23 VAL B 53 7.886 12.834 -1.326 1.00 52.42 H new ATOM 2112 N ILE B 54 3.601 9.833 -2.152 1.00 63.13 N ATOM 2113 CA ILE B 54 2.690 9.027 -3.007 1.00 2.12 C ATOM 2114 C ILE B 54 1.421 9.845 -3.330 1.00 13.44 C ATOM 2115 O ILE B 54 0.490 9.924 -2.524 1.00 44.14 O ATOM 2116 CB ILE B 54 2.297 7.677 -2.305 1.00 63.32 C ATOM 2117 CG1 ILE B 54 3.566 6.946 -1.773 1.00 3.23 C ATOM 2118 CG2 ILE B 54 1.494 6.766 -3.271 1.00 55.55 C ATOM 2119 CD1 ILE B 54 3.278 5.717 -0.925 1.00 63.23 C ATOM 0 H ILE B 54 3.384 9.791 -1.156 1.00 63.13 H new ATOM 0 HA ILE B 54 3.213 8.785 -3.932 1.00 2.12 H new ATOM 0 HB ILE B 54 1.657 7.908 -1.453 1.00 63.32 H new ATOM 0 HG12 ILE B 54 4.182 6.649 -2.622 1.00 3.23 H new ATOM 0 HG13 ILE B 54 4.154 7.649 -1.183 1.00 3.23 H new ATOM 0 HG21 ILE B 54 1.233 5.838 -2.763 1.00 55.55 H new ATOM 0 HG22 ILE B 54 0.583 7.278 -3.581 1.00 55.55 H new ATOM 0 HG23 ILE B 54 2.101 6.542 -4.148 1.00 55.55 H new ATOM 0 HD11 ILE B 54 4.218 5.272 -0.598 1.00 63.23 H new ATOM 0 HD12 ILE B 54 2.691 6.006 -0.053 1.00 63.23 H new ATOM 0 HD13 ILE B 54 2.719 4.991 -1.515 1.00 63.23 H new ATOM 2131 N GLU B 55 1.354 10.395 -4.543 1.00 63.52 N ATOM 2132 CA GLU B 55 0.364 11.432 -4.884 1.00 31.12 C ATOM 2133 C GLU B 55 -0.314 11.147 -6.241 1.00 62.43 C ATOM 2134 O GLU B 55 0.358 10.874 -7.234 1.00 42.41 O ATOM 2135 CB GLU B 55 1.060 12.820 -4.880 1.00 31.34 C ATOM 2136 CG GLU B 55 0.097 14.015 -4.904 1.00 12.14 C ATOM 2137 CD GLU B 55 -0.931 13.966 -3.754 1.00 25.12 C ATOM 2138 OE1 GLU B 55 -0.548 14.244 -2.598 1.00 61.03 O ATOM 2139 OE2 GLU B 55 -2.109 13.608 -3.998 1.00 63.52 O ATOM 0 H GLU B 55 1.974 10.142 -5.313 1.00 63.52 H new ATOM 0 HA GLU B 55 -0.427 11.426 -4.134 1.00 31.12 H new ATOM 0 HB2 GLU B 55 1.689 12.894 -3.993 1.00 31.34 H new ATOM 0 HB3 GLU B 55 1.720 12.884 -5.745 1.00 31.34 H new ATOM 0 HG2 GLU B 55 0.669 14.940 -4.837 1.00 12.14 H new ATOM 0 HG3 GLU B 55 -0.430 14.034 -5.858 1.00 12.14 H new ATOM 2146 N ARG B 56 -1.656 11.241 -6.268 1.00 12.25 N ATOM 2147 CA ARG B 56 -2.467 10.890 -7.455 1.00 43.54 C ATOM 2148 C ARG B 56 -2.589 12.096 -8.395 1.00 63.03 C ATOM 2149 O ARG B 56 -3.424 12.987 -8.206 1.00 43.41 O ATOM 2150 CB ARG B 56 -3.855 10.392 -6.998 1.00 15.34 C ATOM 2151 CG ARG B 56 -3.768 9.205 -6.012 1.00 53.52 C ATOM 2152 CD ARG B 56 -4.966 9.121 -5.043 1.00 24.11 C ATOM 2153 NE ARG B 56 -5.256 10.416 -4.392 1.00 61.02 N ATOM 2154 CZ ARG B 56 -4.421 11.147 -3.667 1.00 4.32 C ATOM 2155 NH1 ARG B 56 -3.261 10.709 -3.271 1.00 22.32 N ATOM 2156 NH2 ARG B 56 -4.776 12.331 -3.333 1.00 43.01 N ATOM 0 H ARG B 56 -2.209 11.561 -5.473 1.00 12.25 H new ATOM 0 HA ARG B 56 -1.976 10.090 -8.009 1.00 43.54 H new ATOM 0 HB2 ARG B 56 -4.393 11.213 -6.525 1.00 15.34 H new ATOM 0 HB3 ARG B 56 -4.434 10.092 -7.871 1.00 15.34 H new ATOM 0 HG2 ARG B 56 -3.703 8.276 -6.579 1.00 53.52 H new ATOM 0 HG3 ARG B 56 -2.848 9.290 -5.433 1.00 53.52 H new ATOM 0 HD2 ARG B 56 -5.848 8.786 -5.588 1.00 24.11 H new ATOM 0 HD3 ARG B 56 -4.760 8.371 -4.279 1.00 24.11 H new ATOM 0 HE ARG B 56 -6.199 10.786 -4.514 1.00 61.02 H new ATOM 0 HH11 ARG B 56 -2.961 9.766 -3.517 1.00 22.32 H new ATOM 0 HH12 ARG B 56 -2.652 11.309 -2.714 1.00 22.32 H new ATOM 0 HH21 ARG B 56 -5.684 12.692 -3.625 1.00 43.01 H new ATOM 0 HH22 ARG B 56 -4.151 12.913 -2.775 1.00 43.01 H new ATOM 2170 N LYS B 57 -1.723 12.103 -9.403 1.00 62.13 N ATOM 2171 CA LYS B 57 -1.614 13.188 -10.379 1.00 72.21 C ATOM 2172 C LYS B 57 -2.167 12.710 -11.726 1.00 61.53 C ATOM 2173 O LYS B 57 -1.783 11.640 -12.221 1.00 33.52 O ATOM 2174 CB LYS B 57 -0.137 13.625 -10.470 1.00 61.54 C ATOM 2175 CG LYS B 57 0.395 14.210 -9.138 1.00 35.22 C ATOM 2176 CD LYS B 57 1.907 14.486 -9.145 1.00 24.21 C ATOM 2177 CE LYS B 57 2.341 15.465 -10.245 1.00 3.32 C ATOM 2178 NZ LYS B 57 3.808 15.680 -10.230 1.00 21.11 N ATOM 0 H LYS B 57 -1.064 11.342 -9.570 1.00 62.13 H new ATOM 0 HA LYS B 57 -2.201 14.054 -10.074 1.00 72.21 H new ATOM 0 HB2 LYS B 57 0.474 12.769 -10.756 1.00 61.54 H new ATOM 0 HB3 LYS B 57 -0.031 14.370 -11.258 1.00 61.54 H new ATOM 0 HG2 LYS B 57 -0.134 15.138 -8.922 1.00 35.22 H new ATOM 0 HG3 LYS B 57 0.165 13.517 -8.329 1.00 35.22 H new ATOM 0 HD2 LYS B 57 2.200 14.887 -8.175 1.00 24.21 H new ATOM 0 HD3 LYS B 57 2.440 13.544 -9.275 1.00 24.21 H new ATOM 0 HE2 LYS B 57 2.038 15.079 -11.218 1.00 3.32 H new ATOM 0 HE3 LYS B 57 1.831 16.418 -10.108 1.00 3.32 H new ATOM 0 HZ1 LYS B 57 4.097 16.162 -11.105 1.00 21.11 H new ATOM 0 HZ2 LYS B 57 4.064 16.267 -9.411 1.00 21.11 H new ATOM 0 HZ3 LYS B 57 4.293 14.762 -10.164 1.00 21.11 H new ATOM 2192 N ASN B 58 -3.095 13.516 -12.293 1.00 44.42 N ATOM 2193 CA ASN B 58 -3.905 13.157 -13.479 1.00 22.14 C ATOM 2194 C ASN B 58 -4.753 11.874 -13.214 1.00 23.03 C ATOM 2195 O ASN B 58 -5.086 11.128 -14.142 1.00 52.05 O ATOM 2196 CB ASN B 58 -2.979 13.000 -14.723 1.00 61.41 C ATOM 2197 CG ASN B 58 -2.100 14.238 -14.962 1.00 75.52 C ATOM 2198 OD1 ASN B 58 -2.526 15.374 -14.755 1.00 1.25 O ATOM 2199 ND2 ASN B 58 -0.856 14.034 -15.347 1.00 42.40 N ATOM 0 H ASN B 58 -3.304 14.447 -11.934 1.00 44.42 H new ATOM 0 HA ASN B 58 -4.612 13.961 -13.683 1.00 22.14 H new ATOM 0 HB2 ASN B 58 -2.342 12.126 -14.589 1.00 61.41 H new ATOM 0 HB3 ASN B 58 -3.591 12.816 -15.606 1.00 61.41 H new ATOM 0 HD21 ASN B 58 -0.227 14.826 -15.479 1.00 42.40 H new ATOM 0 HD22 ASN B 58 -0.523 13.084 -15.513 1.00 42.40 H new ATOM 2206 N GLY B 59 -5.134 11.670 -11.924 1.00 22.10 N ATOM 2207 CA GLY B 59 -5.903 10.488 -11.490 1.00 44.22 C ATOM 2208 C GLY B 59 -5.049 9.233 -11.220 1.00 21.14 C ATOM 2209 O GLY B 59 -5.490 8.317 -10.513 1.00 11.34 O ATOM 0 H GLY B 59 -4.915 12.318 -11.167 1.00 22.10 H new ATOM 0 HA2 GLY B 59 -6.452 10.741 -10.583 1.00 44.22 H new ATOM 0 HA3 GLY B 59 -6.643 10.251 -12.255 1.00 44.22 H new ATOM 2213 N LEU B 60 -3.836 9.178 -11.800 1.00 43.22 N ATOM 2214 CA LEU B 60 -2.919 8.020 -11.669 1.00 42.22 C ATOM 2215 C LEU B 60 -1.995 8.189 -10.439 1.00 2.54 C ATOM 2216 O LEU B 60 -1.457 9.274 -10.203 1.00 4.14 O ATOM 2217 CB LEU B 60 -2.083 7.824 -12.976 1.00 30.23 C ATOM 2218 CG LEU B 60 -2.838 7.178 -14.196 1.00 4.04 C ATOM 2219 CD1 LEU B 60 -4.025 8.033 -14.691 1.00 2.52 C ATOM 2220 CD2 LEU B 60 -1.865 6.861 -15.354 1.00 14.30 C ATOM 0 H LEU B 60 -3.460 9.933 -12.374 1.00 43.22 H new ATOM 0 HA LEU B 60 -3.520 7.124 -11.517 1.00 42.22 H new ATOM 0 HB2 LEU B 60 -1.700 8.796 -13.286 1.00 30.23 H new ATOM 0 HB3 LEU B 60 -1.219 7.202 -12.740 1.00 30.23 H new ATOM 0 HG LEU B 60 -3.259 6.241 -13.832 1.00 4.04 H new ATOM 0 HD11 LEU B 60 -4.506 7.535 -15.533 1.00 2.52 H new ATOM 0 HD12 LEU B 60 -4.746 8.157 -13.883 1.00 2.52 H new ATOM 0 HD13 LEU B 60 -3.662 9.011 -15.006 1.00 2.52 H new ATOM 0 HD21 LEU B 60 -2.417 6.416 -16.182 1.00 14.30 H new ATOM 0 HD22 LEU B 60 -1.387 7.781 -15.690 1.00 14.30 H new ATOM 0 HD23 LEU B 60 -1.103 6.162 -15.008 1.00 14.30 H new ATOM 2232 N ILE B 61 -1.836 7.101 -9.662 1.00 20.25 N ATOM 2233 CA ILE B 61 -1.057 7.100 -8.405 1.00 54.31 C ATOM 2234 C ILE B 61 0.469 7.149 -8.732 1.00 63.44 C ATOM 2235 O ILE B 61 1.042 6.168 -9.217 1.00 21.44 O ATOM 2236 CB ILE B 61 -1.398 5.841 -7.481 1.00 31.11 C ATOM 2237 CG1 ILE B 61 -2.893 5.825 -6.971 1.00 1.13 C ATOM 2238 CG2 ILE B 61 -0.442 5.791 -6.258 1.00 54.34 C ATOM 2239 CD1 ILE B 61 -3.991 5.736 -8.027 1.00 21.32 C ATOM 0 H ILE B 61 -2.245 6.194 -9.887 1.00 20.25 H new ATOM 0 HA ILE B 61 -1.336 7.989 -7.839 1.00 54.31 H new ATOM 0 HB ILE B 61 -1.259 4.961 -8.109 1.00 31.11 H new ATOM 0 HG12 ILE B 61 -3.009 4.980 -6.292 1.00 1.13 H new ATOM 0 HG13 ILE B 61 -3.060 6.730 -6.386 1.00 1.13 H new ATOM 0 HG21 ILE B 61 -0.688 4.928 -5.639 1.00 54.34 H new ATOM 0 HG22 ILE B 61 0.588 5.708 -6.605 1.00 54.34 H new ATOM 0 HG23 ILE B 61 -0.555 6.702 -5.671 1.00 54.34 H new ATOM 0 HD11 ILE B 61 -4.966 5.734 -7.539 1.00 21.32 H new ATOM 0 HD12 ILE B 61 -3.922 6.593 -8.697 1.00 21.32 H new ATOM 0 HD13 ILE B 61 -3.870 4.817 -8.601 1.00 21.32 H new ATOM 2251 N GLU B 62 1.101 8.311 -8.472 1.00 14.02 N ATOM 2252 CA GLU B 62 2.529 8.568 -8.786 1.00 22.40 C ATOM 2253 C GLU B 62 3.371 8.590 -7.493 1.00 70.25 C ATOM 2254 O GLU B 62 3.133 9.406 -6.608 1.00 64.40 O ATOM 2255 CB GLU B 62 2.657 9.935 -9.525 1.00 30.12 C ATOM 2256 CG GLU B 62 2.002 9.985 -10.921 1.00 21.24 C ATOM 2257 CD GLU B 62 2.753 9.146 -11.968 1.00 53.42 C ATOM 2258 OE1 GLU B 62 2.458 7.940 -12.111 1.00 64.24 O ATOM 2259 OE2 GLU B 62 3.651 9.691 -12.652 1.00 60.21 O ATOM 0 H GLU B 62 0.635 9.106 -8.035 1.00 14.02 H new ATOM 0 HA GLU B 62 2.901 7.769 -9.427 1.00 22.40 H new ATOM 0 HB2 GLU B 62 2.211 10.711 -8.903 1.00 30.12 H new ATOM 0 HB3 GLU B 62 3.715 10.178 -9.627 1.00 30.12 H new ATOM 0 HG2 GLU B 62 0.975 9.629 -10.847 1.00 21.24 H new ATOM 0 HG3 GLU B 62 1.957 11.021 -11.258 1.00 21.24 H new ATOM 2266 N ILE B 63 4.365 7.695 -7.387 1.00 55.54 N ATOM 2267 CA ILE B 63 5.244 7.618 -6.205 1.00 45.21 C ATOM 2268 C ILE B 63 6.519 8.456 -6.465 1.00 40.44 C ATOM 2269 O ILE B 63 7.133 8.385 -7.539 1.00 14.44 O ATOM 2270 CB ILE B 63 5.635 6.133 -5.797 1.00 44.33 C ATOM 2271 CG1 ILE B 63 4.383 5.244 -5.476 1.00 12.40 C ATOM 2272 CG2 ILE B 63 6.597 6.126 -4.580 1.00 11.53 C ATOM 2273 CD1 ILE B 63 3.502 4.906 -6.660 1.00 51.42 C ATOM 0 H ILE B 63 4.583 7.009 -8.110 1.00 55.54 H new ATOM 0 HA ILE B 63 4.683 8.021 -5.362 1.00 45.21 H new ATOM 0 HB ILE B 63 6.137 5.703 -6.664 1.00 44.33 H new ATOM 0 HG12 ILE B 63 4.726 4.314 -5.024 1.00 12.40 H new ATOM 0 HG13 ILE B 63 3.777 5.757 -4.729 1.00 12.40 H new ATOM 0 HG21 ILE B 63 6.849 5.098 -4.321 1.00 11.53 H new ATOM 0 HG22 ILE B 63 7.507 6.670 -4.833 1.00 11.53 H new ATOM 0 HG23 ILE B 63 6.112 6.606 -3.730 1.00 11.53 H new ATOM 0 HD11 ILE B 63 2.667 4.289 -6.328 1.00 51.42 H new ATOM 0 HD12 ILE B 63 3.120 5.825 -7.103 1.00 51.42 H new ATOM 0 HD13 ILE B 63 4.084 4.360 -7.402 1.00 51.42 H new ATOM 2285 N TYR B 64 6.864 9.285 -5.475 1.00 64.14 N ATOM 2286 CA TYR B 64 8.072 10.140 -5.481 1.00 50.41 C ATOM 2287 C TYR B 64 8.934 9.842 -4.241 1.00 44.01 C ATOM 2288 O TYR B 64 8.542 9.058 -3.375 1.00 5.02 O ATOM 2289 CB TYR B 64 7.657 11.644 -5.491 1.00 0.20 C ATOM 2290 CG TYR B 64 6.799 12.040 -6.697 1.00 23.14 C ATOM 2291 CD1 TYR B 64 7.391 12.271 -7.932 1.00 35.33 C ATOM 2292 CD2 TYR B 64 5.400 12.144 -6.616 1.00 71.52 C ATOM 2293 CE1 TYR B 64 6.640 12.578 -9.039 1.00 23.35 C ATOM 2294 CE2 TYR B 64 4.649 12.461 -7.727 1.00 43.33 C ATOM 2295 CZ TYR B 64 5.279 12.671 -8.938 1.00 12.05 C ATOM 2296 OH TYR B 64 4.539 12.955 -10.064 1.00 3.41 O ATOM 0 H TYR B 64 6.306 9.388 -4.627 1.00 64.14 H new ATOM 0 HA TYR B 64 8.654 9.925 -6.377 1.00 50.41 H new ATOM 0 HB2 TYR B 64 7.107 11.866 -4.577 1.00 0.20 H new ATOM 0 HB3 TYR B 64 8.556 12.260 -5.479 1.00 0.20 H new ATOM 0 HD1 TYR B 64 8.465 12.208 -8.023 1.00 35.33 H new ATOM 0 HD2 TYR B 64 4.907 11.973 -5.670 1.00 71.52 H new ATOM 0 HE1 TYR B 64 7.124 12.746 -9.990 1.00 23.35 H new ATOM 0 HE2 TYR B 64 3.575 12.545 -7.651 1.00 43.33 H new ATOM 0 HH TYR B 64 4.289 12.119 -10.511 1.00 3.41 H new ATOM 2306 N ASN B 65 10.120 10.452 -4.176 1.00 41.30 N ATOM 2307 CA ASN B 65 10.934 10.503 -2.947 1.00 30.31 C ATOM 2308 C ASN B 65 10.625 11.815 -2.188 1.00 14.55 C ATOM 2309 O ASN B 65 10.118 12.779 -2.788 1.00 3.42 O ATOM 2310 CB ASN B 65 12.442 10.406 -3.277 1.00 42.53 C ATOM 2311 CG ASN B 65 12.833 9.083 -3.937 1.00 73.12 C ATOM 2312 OD1 ASN B 65 13.135 8.099 -3.267 1.00 74.43 O ATOM 2313 ND2 ASN B 65 12.858 9.058 -5.258 1.00 42.14 N ATOM 0 H ASN B 65 10.548 10.926 -4.971 1.00 41.30 H new ATOM 0 HA ASN B 65 10.681 9.651 -2.316 1.00 30.31 H new ATOM 0 HB2 ASN B 65 12.716 11.229 -3.938 1.00 42.53 H new ATOM 0 HB3 ASN B 65 13.016 10.530 -2.359 1.00 42.53 H new ATOM 0 HD21 ASN B 65 13.133 8.206 -5.747 1.00 42.14 H new ATOM 0 HD22 ASN B 65 12.602 9.891 -5.789 1.00 42.14 H new ATOM 2320 N GLU B 66 10.915 11.818 -0.871 1.00 71.31 N ATOM 2321 CA GLU B 66 10.658 12.964 0.043 1.00 71.11 C ATOM 2322 C GLU B 66 11.109 14.331 -0.540 1.00 21.34 C ATOM 2323 O GLU B 66 10.275 15.190 -0.822 1.00 73.32 O ATOM 2324 CB GLU B 66 11.354 12.720 1.415 1.00 43.54 C ATOM 2325 CG GLU B 66 11.177 13.867 2.438 1.00 15.20 C ATOM 2326 CD GLU B 66 11.890 13.620 3.780 1.00 31.33 C ATOM 2327 OE1 GLU B 66 13.139 13.731 3.834 1.00 42.31 O ATOM 2328 OE2 GLU B 66 11.212 13.315 4.783 1.00 44.42 O ATOM 0 H GLU B 66 11.339 11.018 -0.401 1.00 71.31 H new ATOM 0 HA GLU B 66 9.577 13.019 0.172 1.00 71.11 H new ATOM 0 HB2 GLU B 66 10.962 11.800 1.848 1.00 43.54 H new ATOM 0 HB3 GLU B 66 12.419 12.563 1.245 1.00 43.54 H new ATOM 0 HG2 GLU B 66 11.555 14.792 2.002 1.00 15.20 H new ATOM 0 HG3 GLU B 66 10.113 14.014 2.624 1.00 15.20 H new