USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 THR OG1 : rot 129:sc= 0.161 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 6 SER OG : rot 34:sc= 0.228 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.0765 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00699) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc=-0.00175 (180deg=-0.00175) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.5) USER MOD Single : A 29 ASN : amide:sc= 0.121 K(o=0.12,f=-6.2!) USER MOD Single : A 31 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.071) USER MOD Single : A 32 GLN : amide:sc= 0.146 K(o=0.15,f=-5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 36 SER OG : rot 180:sc= -0.168 USER MOD Single : A 37 CYS SG : rot 174:sc= -0.236 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 59 THR OG1 : rot 70:sc= 0.861 USER MOD Single : A 60 HIS : no HE2:sc= 0.326 K(o=0.33,f=-1.5) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.43) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 74 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.7) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 9:sc= 1.12 USER MOD Single : A 90 TYR OH : rot -164:sc= 0.138 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.23 K(o=1.2,f=-0.051) USER MOD Single : A 102 GLN : amide:sc= 1.42 K(o=1.4,f=-0.0021) USER MOD Single : A 108 ASN : amide:sc= 1.04 K(o=1,f=-4.3!) USER MOD Single : A 109 TYR OH : rot -170:sc= 1.32 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -8.499 -12.496 -11.248 1.00 22.44 N ATOM 64 CA SER A 6 -7.627 -12.506 -10.082 1.00 61.14 C ATOM 65 C SER A 6 -6.854 -13.832 -10.064 1.00 31.45 C ATOM 66 O SER A 6 -6.970 -14.635 -9.136 1.00 73.50 O ATOM 67 CB SER A 6 -8.492 -12.344 -8.833 1.00 43.01 C ATOM 68 OG SER A 6 -9.418 -11.276 -8.965 1.00 22.41 O ATOM 0 HA SER A 6 -6.907 -11.688 -10.113 1.00 61.14 H new ATOM 0 HB2 SER A 6 -9.032 -13.271 -8.643 1.00 43.01 H new ATOM 0 HB3 SER A 6 -7.852 -12.165 -7.969 1.00 43.01 H new ATOM 0 HG SER A 6 -9.714 -11.213 -9.897 1.00 22.41 H new ATOM 73 N ASP A 7 -6.055 -14.078 -11.099 1.00 20.23 N ATOM 74 CA ASP A 7 -5.259 -15.293 -11.263 1.00 32.52 C ATOM 75 C ASP A 7 -3.921 -15.213 -10.536 1.00 52.11 C ATOM 76 O ASP A 7 -3.041 -16.052 -10.730 1.00 43.44 O ATOM 77 CB ASP A 7 -5.032 -15.575 -12.752 1.00 20.35 C ATOM 78 CG ASP A 7 -6.255 -16.184 -13.410 1.00 43.20 C ATOM 79 OD1 ASP A 7 -6.643 -17.317 -13.045 1.00 64.10 O ATOM 80 OD2 ASP A 7 -6.743 -15.572 -14.384 1.00 74.31 O ATOM 0 H ASP A 7 -5.940 -13.419 -11.869 1.00 20.23 H new ATOM 0 HA ASP A 7 -5.822 -16.112 -10.815 1.00 32.52 H new ATOM 0 HB2 ASP A 7 -4.771 -14.647 -13.261 1.00 20.35 H new ATOM 0 HB3 ASP A 7 -4.184 -16.251 -12.868 1.00 20.35 H new ATOM 84 N THR A 8 -3.753 -14.195 -9.709 1.00 22.51 N ATOM 85 CA THR A 8 -2.582 -13.990 -8.881 1.00 0.12 C ATOM 86 C THR A 8 -2.409 -15.106 -7.842 1.00 44.31 C ATOM 87 O THR A 8 -3.392 -15.767 -7.484 1.00 33.42 O ATOM 88 CB THR A 8 -2.681 -12.615 -8.195 1.00 0.14 C ATOM 89 OG1 THR A 8 -4.022 -12.270 -7.853 1.00 72.32 O ATOM 90 CG2 THR A 8 -2.099 -11.566 -9.140 1.00 32.12 C ATOM 0 H THR A 8 -4.455 -13.464 -9.593 1.00 22.51 H new ATOM 0 HA THR A 8 -1.700 -14.018 -9.521 1.00 0.12 H new ATOM 0 HB THR A 8 -2.121 -12.656 -7.261 1.00 0.14 H new ATOM 0 HG1 THR A 8 -4.019 -11.474 -7.282 1.00 72.32 H new ATOM 0 HG21 THR A 8 -2.159 -10.583 -8.673 1.00 32.12 H new ATOM 0 HG22 THR A 8 -1.057 -11.805 -9.351 1.00 32.12 H new ATOM 0 HG23 THR A 8 -2.665 -11.561 -10.071 1.00 32.12 H new ATOM 98 N PRO A 9 -1.186 -15.277 -7.317 1.00 54.01 N ATOM 99 CA PRO A 9 -0.922 -16.114 -6.157 1.00 12.45 C ATOM 100 C PRO A 9 -1.676 -15.598 -4.917 1.00 21.22 C ATOM 101 O PRO A 9 -2.231 -14.495 -4.897 1.00 72.51 O ATOM 102 CB PRO A 9 0.608 -16.117 -6.001 1.00 44.03 C ATOM 103 CG PRO A 9 1.101 -14.901 -6.773 1.00 31.13 C ATOM 104 CD PRO A 9 0.034 -14.667 -7.824 1.00 74.34 C ATOM 0 HA PRO A 9 -1.286 -17.134 -6.279 1.00 12.45 H new ATOM 0 HB2 PRO A 9 0.895 -16.057 -4.951 1.00 44.03 H new ATOM 0 HB3 PRO A 9 1.041 -17.035 -6.398 1.00 44.03 H new ATOM 0 HG2 PRO A 9 1.214 -14.035 -6.121 1.00 31.13 H new ATOM 0 HG3 PRO A 9 2.074 -15.086 -7.228 1.00 31.13 H new ATOM 0 HD2 PRO A 9 -0.110 -13.601 -8.000 1.00 74.34 H new ATOM 0 HD3 PRO A 9 0.323 -15.112 -8.776 1.00 74.34 H new ATOM 109 N LYS A 10 -1.702 -16.417 -3.867 1.00 31.54 N ATOM 110 CA LYS A 10 -2.289 -16.169 -2.557 1.00 12.41 C ATOM 111 C LYS A 10 -1.170 -16.002 -1.544 1.00 25.44 C ATOM 112 O LYS A 10 -0.328 -16.898 -1.415 1.00 4.23 O ATOM 113 CB LYS A 10 -3.195 -17.349 -2.170 1.00 2.21 C ATOM 114 CG LYS A 10 -4.652 -17.060 -2.531 1.00 62.43 C ATOM 115 CD LYS A 10 -4.990 -17.100 -4.028 1.00 45.11 C ATOM 116 CE LYS A 10 -6.494 -16.873 -4.240 1.00 3.43 C ATOM 117 NZ LYS A 10 -7.281 -18.083 -3.932 1.00 52.13 N ATOM 0 H LYS A 10 -1.279 -17.344 -3.917 1.00 31.54 H new ATOM 0 HA LYS A 10 -2.892 -15.261 -2.578 1.00 12.41 H new ATOM 0 HB2 LYS A 10 -2.862 -18.252 -2.682 1.00 2.21 H new ATOM 0 HB3 LYS A 10 -3.112 -17.540 -1.100 1.00 2.21 H new ATOM 0 HG2 LYS A 10 -5.285 -17.783 -2.016 1.00 62.43 H new ATOM 0 HG3 LYS A 10 -4.914 -16.075 -2.145 1.00 62.43 H new ATOM 0 HD2 LYS A 10 -4.422 -16.335 -4.557 1.00 45.11 H new ATOM 0 HD3 LYS A 10 -4.697 -18.062 -4.448 1.00 45.11 H new ATOM 0 HE2 LYS A 10 -6.830 -16.051 -3.608 1.00 3.43 H new ATOM 0 HE3 LYS A 10 -6.674 -16.576 -5.273 1.00 3.43 H new ATOM 0 HZ1 LYS A 10 -8.285 -17.905 -4.136 1.00 52.13 H new ATOM 0 HZ2 LYS A 10 -6.944 -18.874 -4.516 1.00 52.13 H new ATOM 0 HZ3 LYS A 10 -7.169 -18.323 -2.926 1.00 52.13 H new ATOM 127 N VAL A 11 -1.132 -14.858 -0.864 1.00 62.30 N ATOM 128 CA VAL A 11 -0.068 -14.514 0.076 1.00 34.11 C ATOM 129 C VAL A 11 0.005 -15.578 1.167 1.00 14.14 C ATOM 130 O VAL A 11 -1.025 -16.057 1.651 1.00 43.44 O ATOM 131 CB VAL A 11 -0.329 -13.108 0.646 1.00 32.35 C ATOM 132 CG1 VAL A 11 0.608 -12.669 1.775 1.00 5.01 C ATOM 133 CG2 VAL A 11 -0.201 -12.068 -0.474 1.00 42.01 C ATOM 0 H VAL A 11 -1.847 -14.136 -0.951 1.00 62.30 H new ATOM 0 HA VAL A 11 0.899 -14.492 -0.427 1.00 34.11 H new ATOM 0 HB VAL A 11 -1.332 -13.168 1.068 1.00 32.35 H new ATOM 0 HG11 VAL A 11 0.337 -11.665 2.103 1.00 5.01 H new ATOM 0 HG12 VAL A 11 0.518 -13.361 2.612 1.00 5.01 H new ATOM 0 HG13 VAL A 11 1.637 -12.668 1.414 1.00 5.01 H new ATOM 0 HG21 VAL A 11 -0.386 -11.073 -0.069 1.00 42.01 H new ATOM 0 HG22 VAL A 11 0.804 -12.108 -0.894 1.00 42.01 H new ATOM 0 HG23 VAL A 11 -0.930 -12.283 -1.255 1.00 42.01 H new ATOM 143 N THR A 12 1.215 -15.953 1.554 1.00 5.41 N ATOM 144 CA THR A 12 1.480 -16.889 2.628 1.00 34.12 C ATOM 145 C THR A 12 1.606 -16.121 3.937 1.00 12.45 C ATOM 146 O THR A 12 0.852 -16.384 4.881 1.00 41.44 O ATOM 147 CB THR A 12 2.748 -17.697 2.294 1.00 53.40 C ATOM 148 OG1 THR A 12 3.701 -16.842 1.697 1.00 63.53 O ATOM 149 CG2 THR A 12 2.420 -18.786 1.282 1.00 64.53 C ATOM 0 H THR A 12 2.065 -15.601 1.113 1.00 5.41 H new ATOM 0 HA THR A 12 0.660 -17.598 2.740 1.00 34.12 H new ATOM 0 HB THR A 12 3.133 -18.135 3.215 1.00 53.40 H new ATOM 0 HG1 THR A 12 4.558 -16.931 2.163 1.00 63.53 H new ATOM 0 HG21 THR A 12 3.322 -19.352 1.052 1.00 64.53 H new ATOM 0 HG22 THR A 12 1.668 -19.456 1.699 1.00 64.53 H new ATOM 0 HG23 THR A 12 2.035 -18.331 0.370 1.00 64.53 H new ATOM 157 N GLY A 13 2.529 -15.162 3.997 1.00 2.01 N ATOM 158 CA GLY A 13 2.875 -14.432 5.195 1.00 51.24 C ATOM 159 C GLY A 13 3.171 -12.978 4.867 1.00 1.02 C ATOM 160 O GLY A 13 3.425 -12.611 3.717 1.00 74.11 O ATOM 0 H GLY A 13 3.068 -14.870 3.182 1.00 2.01 H new ATOM 0 HA2 GLY A 13 2.056 -14.489 5.912 1.00 51.24 H new ATOM 0 HA3 GLY A 13 3.745 -14.888 5.667 1.00 51.24 H new ATOM 164 N LEU A 14 3.106 -12.162 5.914 1.00 23.30 N ATOM 165 CA LEU A 14 3.177 -10.709 5.884 1.00 70.34 C ATOM 166 C LEU A 14 4.010 -10.272 7.083 1.00 42.02 C ATOM 167 O LEU A 14 3.663 -10.621 8.217 1.00 50.04 O ATOM 168 CB LEU A 14 1.764 -10.095 5.952 1.00 10.40 C ATOM 169 CG LEU A 14 0.909 -10.353 4.687 1.00 70.35 C ATOM 170 CD1 LEU A 14 -0.073 -11.521 4.897 1.00 31.25 C ATOM 171 CD2 LEU A 14 0.118 -9.108 4.273 1.00 32.43 C ATOM 0 H LEU A 14 2.996 -12.521 6.862 1.00 23.30 H new ATOM 0 HA LEU A 14 3.633 -10.367 4.955 1.00 70.34 H new ATOM 0 HB2 LEU A 14 1.243 -10.500 6.820 1.00 10.40 H new ATOM 0 HB3 LEU A 14 1.852 -9.020 6.106 1.00 10.40 H new ATOM 0 HG LEU A 14 1.609 -10.610 3.892 1.00 70.35 H new ATOM 0 HD11 LEU A 14 -0.656 -11.674 3.989 1.00 31.25 H new ATOM 0 HD12 LEU A 14 0.485 -12.429 5.127 1.00 31.25 H new ATOM 0 HD13 LEU A 14 -0.744 -11.288 5.724 1.00 31.25 H new ATOM 0 HD21 LEU A 14 -0.469 -9.330 3.382 1.00 32.43 H new ATOM 0 HD22 LEU A 14 -0.549 -8.815 5.083 1.00 32.43 H new ATOM 0 HD23 LEU A 14 0.809 -8.293 4.059 1.00 32.43 H new ATOM 182 N LYS A 15 5.113 -9.555 6.870 1.00 5.13 N ATOM 183 CA LYS A 15 6.060 -9.174 7.914 1.00 24.44 C ATOM 184 C LYS A 15 6.179 -7.665 7.913 1.00 44.41 C ATOM 185 O LYS A 15 6.589 -7.042 6.937 1.00 1.02 O ATOM 186 CB LYS A 15 7.423 -9.860 7.716 1.00 72.35 C ATOM 187 CG LYS A 15 7.659 -10.954 8.769 1.00 65.32 C ATOM 188 CD LYS A 15 6.724 -12.167 8.653 1.00 53.15 C ATOM 189 CE LYS A 15 5.870 -12.396 9.900 1.00 13.31 C ATOM 190 NZ LYS A 15 5.141 -13.683 9.841 1.00 23.23 N ATOM 0 H LYS A 15 5.378 -9.216 5.945 1.00 5.13 H new ATOM 0 HA LYS A 15 5.696 -9.508 8.886 1.00 24.44 H new ATOM 0 HB2 LYS A 15 7.471 -10.297 6.719 1.00 72.35 H new ATOM 0 HB3 LYS A 15 8.218 -9.117 7.777 1.00 72.35 H new ATOM 0 HG2 LYS A 15 8.690 -11.298 8.691 1.00 65.32 H new ATOM 0 HG3 LYS A 15 7.543 -10.516 9.761 1.00 65.32 H new ATOM 0 HD2 LYS A 15 6.069 -12.030 7.793 1.00 53.15 H new ATOM 0 HD3 LYS A 15 7.320 -13.059 8.461 1.00 53.15 H new ATOM 0 HE2 LYS A 15 6.507 -12.380 10.784 1.00 13.31 H new ATOM 0 HE3 LYS A 15 5.156 -11.579 10.006 1.00 13.31 H new ATOM 0 HZ1 LYS A 15 4.574 -13.801 10.705 1.00 23.23 H new ATOM 0 HZ2 LYS A 15 4.514 -13.689 9.011 1.00 23.23 H new ATOM 0 HZ3 LYS A 15 5.823 -14.465 9.765 1.00 23.23 H new ATOM 200 N LEU A 16 5.760 -7.054 9.009 1.00 71.45 N ATOM 201 CA LEU A 16 5.917 -5.613 9.203 1.00 51.13 C ATOM 202 C LEU A 16 7.319 -5.298 9.706 1.00 42.23 C ATOM 203 O LEU A 16 7.966 -6.152 10.315 1.00 25.11 O ATOM 204 CB LEU A 16 4.862 -5.091 10.193 1.00 2.11 C ATOM 205 CG LEU A 16 3.676 -4.383 9.528 1.00 22.52 C ATOM 206 CD1 LEU A 16 4.134 -3.015 9.022 1.00 44.01 C ATOM 207 CD2 LEU A 16 3.070 -5.224 8.398 1.00 43.04 C ATOM 0 H LEU A 16 5.305 -7.533 9.786 1.00 71.45 H new ATOM 0 HA LEU A 16 5.772 -5.113 8.245 1.00 51.13 H new ATOM 0 HB2 LEU A 16 4.488 -5.928 10.783 1.00 2.11 H new ATOM 0 HB3 LEU A 16 5.341 -4.400 10.887 1.00 2.11 H new ATOM 0 HG LEU A 16 2.886 -4.248 10.267 1.00 22.52 H new ATOM 0 HD11 LEU A 16 3.297 -2.504 8.547 1.00 44.01 H new ATOM 0 HD12 LEU A 16 4.495 -2.419 9.860 1.00 44.01 H new ATOM 0 HD13 LEU A 16 4.938 -3.146 8.297 1.00 44.01 H new ATOM 0 HD21 LEU A 16 2.233 -4.686 7.953 1.00 43.04 H new ATOM 0 HD22 LEU A 16 3.827 -5.410 7.636 1.00 43.04 H new ATOM 0 HD23 LEU A 16 2.719 -6.174 8.800 1.00 43.04 H new ATOM 218 N LYS A 17 7.757 -4.054 9.501 1.00 70.22 N ATOM 219 CA LYS A 17 9.029 -3.539 10.005 1.00 33.32 C ATOM 220 C LYS A 17 8.858 -2.102 10.475 1.00 32.13 C ATOM 221 O LYS A 17 9.250 -1.173 9.769 1.00 45.43 O ATOM 222 CB LYS A 17 10.153 -3.693 8.964 1.00 65.13 C ATOM 223 CG LYS A 17 9.859 -3.124 7.561 1.00 2.41 C ATOM 224 CD LYS A 17 9.614 -4.230 6.528 1.00 13.40 C ATOM 225 CE LYS A 17 10.973 -4.872 6.204 1.00 34.32 C ATOM 226 NZ LYS A 17 11.530 -4.510 4.884 1.00 63.42 N ATOM 0 H LYS A 17 7.226 -3.364 8.969 1.00 70.22 H new ATOM 0 HA LYS A 17 9.334 -4.134 10.866 1.00 33.32 H new ATOM 0 HB2 LYS A 17 11.048 -3.207 9.351 1.00 65.13 H new ATOM 0 HB3 LYS A 17 10.385 -4.753 8.863 1.00 65.13 H new ATOM 0 HG2 LYS A 17 8.985 -2.475 7.610 1.00 2.41 H new ATOM 0 HG3 LYS A 17 10.697 -2.507 7.238 1.00 2.41 H new ATOM 0 HD2 LYS A 17 8.922 -4.975 6.921 1.00 13.40 H new ATOM 0 HD3 LYS A 17 9.160 -3.818 5.626 1.00 13.40 H new ATOM 0 HE2 LYS A 17 11.688 -4.585 6.975 1.00 34.32 H new ATOM 0 HE3 LYS A 17 10.868 -5.956 6.254 1.00 34.32 H new ATOM 0 HZ1 LYS A 17 12.445 -4.987 4.751 1.00 63.42 H new ATOM 0 HZ2 LYS A 17 10.872 -4.808 4.136 1.00 63.42 H new ATOM 0 HZ3 LYS A 17 11.666 -3.480 4.835 1.00 63.42 H new ATOM 236 N ARG A 18 8.313 -1.898 11.683 1.00 12.20 N ATOM 237 CA ARG A 18 8.060 -0.550 12.215 1.00 42.13 C ATOM 238 C ARG A 18 9.276 0.363 12.083 1.00 11.22 C ATOM 239 O ARG A 18 9.146 1.529 11.712 1.00 43.02 O ATOM 240 CB ARG A 18 7.532 -0.601 13.663 1.00 4.41 C ATOM 241 CG ARG A 18 8.605 -0.884 14.736 1.00 14.04 C ATOM 242 CD ARG A 18 7.973 -1.191 16.101 1.00 73.35 C ATOM 243 NE ARG A 18 8.150 -2.602 16.468 1.00 72.31 N ATOM 244 CZ ARG A 18 7.201 -3.487 16.796 1.00 12.10 C ATOM 245 NH1 ARG A 18 5.911 -3.189 16.770 1.00 10.24 N ATOM 246 NH2 ARG A 18 7.567 -4.704 17.168 1.00 71.14 N ATOM 0 H ARG A 18 8.038 -2.652 12.312 1.00 12.20 H new ATOM 0 HA ARG A 18 7.275 -0.110 11.600 1.00 42.13 H new ATOM 0 HB2 ARG A 18 7.051 0.350 13.893 1.00 4.41 H new ATOM 0 HB3 ARG A 18 6.763 -1.371 13.727 1.00 4.41 H new ATOM 0 HG2 ARG A 18 9.221 -1.727 14.422 1.00 14.04 H new ATOM 0 HG3 ARG A 18 9.266 -0.022 14.826 1.00 14.04 H new ATOM 0 HD2 ARG A 18 8.424 -0.556 16.864 1.00 73.35 H new ATOM 0 HD3 ARG A 18 6.910 -0.951 16.074 1.00 73.35 H new ATOM 0 HE ARG A 18 9.109 -2.948 16.474 1.00 72.31 H new ATOM 0 HH11 ARG A 18 5.609 -2.255 16.492 1.00 10.24 H new ATOM 0 HH12 ARG A 18 5.220 -3.893 17.028 1.00 10.24 H new ATOM 0 HH21 ARG A 18 8.556 -4.952 17.200 1.00 71.14 H new ATOM 0 HH22 ARG A 18 6.860 -5.394 17.422 1.00 71.14 H new ATOM 257 N LYS A 19 10.470 -0.190 12.317 1.00 30.40 N ATOM 258 CA LYS A 19 11.744 0.514 12.287 1.00 50.01 C ATOM 259 C LYS A 19 12.040 1.181 10.947 1.00 41.22 C ATOM 260 O LYS A 19 12.833 2.117 10.929 1.00 3.41 O ATOM 261 CB LYS A 19 12.875 -0.469 12.598 1.00 70.11 C ATOM 262 CG LYS A 19 12.731 -1.139 13.975 1.00 31.14 C ATOM 263 CD LYS A 19 14.105 -1.361 14.606 1.00 25.52 C ATOM 264 CE LYS A 19 14.633 -0.024 15.123 1.00 11.04 C ATOM 265 NZ LYS A 19 16.069 -0.088 15.475 1.00 71.15 N ATOM 0 H LYS A 19 10.573 -1.180 12.541 1.00 30.40 H new ATOM 0 HA LYS A 19 11.678 1.303 13.036 1.00 50.01 H new ATOM 0 HB2 LYS A 19 12.901 -1.239 11.827 1.00 70.11 H new ATOM 0 HB3 LYS A 19 13.828 0.058 12.555 1.00 70.11 H new ATOM 0 HG2 LYS A 19 12.121 -0.515 14.628 1.00 31.14 H new ATOM 0 HG3 LYS A 19 12.214 -2.093 13.870 1.00 31.14 H new ATOM 0 HD2 LYS A 19 14.033 -2.079 15.423 1.00 25.52 H new ATOM 0 HD3 LYS A 19 14.794 -1.780 13.872 1.00 25.52 H new ATOM 0 HE2 LYS A 19 14.481 0.743 14.364 1.00 11.04 H new ATOM 0 HE3 LYS A 19 14.059 0.277 15.999 1.00 11.04 H new ATOM 0 HZ1 LYS A 19 16.383 0.841 15.821 1.00 71.15 H new ATOM 0 HZ2 LYS A 19 16.213 -0.801 16.218 1.00 71.15 H new ATOM 0 HZ3 LYS A 19 16.621 -0.349 14.633 1.00 71.15 H new ATOM 275 N SER A 20 11.432 0.724 9.855 1.00 4.40 N ATOM 276 CA SER A 20 11.738 1.149 8.498 1.00 30.21 C ATOM 277 C SER A 20 10.462 1.417 7.682 1.00 41.21 C ATOM 278 O SER A 20 10.544 1.525 6.457 1.00 21.12 O ATOM 279 CB SER A 20 12.654 0.098 7.855 1.00 13.11 C ATOM 280 OG SER A 20 13.807 -0.133 8.653 1.00 45.43 O ATOM 0 H SER A 20 10.690 0.026 9.895 1.00 4.40 H new ATOM 0 HA SER A 20 12.265 2.103 8.517 1.00 30.21 H new ATOM 0 HB2 SER A 20 12.106 -0.835 7.724 1.00 13.11 H new ATOM 0 HB3 SER A 20 12.956 0.433 6.863 1.00 13.11 H new ATOM 0 HG SER A 20 14.373 -0.807 8.222 1.00 45.43 H new ATOM 285 N ARG A 21 9.297 1.595 8.336 1.00 21.13 N ATOM 286 CA ARG A 21 8.053 2.104 7.740 1.00 34.53 C ATOM 287 C ARG A 21 7.620 1.393 6.445 1.00 72.33 C ATOM 288 O ARG A 21 7.116 2.035 5.514 1.00 5.33 O ATOM 289 CB ARG A 21 8.170 3.637 7.628 1.00 25.54 C ATOM 290 CG ARG A 21 6.882 4.377 7.984 1.00 33.23 C ATOM 291 CD ARG A 21 7.178 5.871 8.160 1.00 65.32 C ATOM 292 NE ARG A 21 6.665 6.687 7.042 1.00 44.41 N ATOM 293 CZ ARG A 21 7.362 7.396 6.136 1.00 64.34 C ATOM 294 NH1 ARG A 21 8.693 7.475 6.161 1.00 73.25 N ATOM 295 NH2 ARG A 21 6.693 8.053 5.193 1.00 12.00 N ATOM 0 H ARG A 21 9.196 1.380 9.328 1.00 21.13 H new ATOM 0 HA ARG A 21 7.221 1.862 8.401 1.00 34.53 H new ATOM 0 HB2 ARG A 21 8.970 3.981 8.284 1.00 25.54 H new ATOM 0 HB3 ARG A 21 8.459 3.897 6.610 1.00 25.54 H new ATOM 0 HG2 ARG A 21 6.139 4.233 7.199 1.00 33.23 H new ATOM 0 HG3 ARG A 21 6.459 3.969 8.902 1.00 33.23 H new ATOM 0 HD2 ARG A 21 6.733 6.218 9.092 1.00 65.32 H new ATOM 0 HD3 ARG A 21 8.255 6.016 8.247 1.00 65.32 H new ATOM 0 HE ARG A 21 5.650 6.717 6.944 1.00 44.41 H new ATOM 0 HH11 ARG A 21 9.219 6.987 6.886 1.00 73.25 H new ATOM 0 HH12 ARG A 21 9.185 8.023 5.455 1.00 73.25 H new ATOM 0 HH21 ARG A 21 5.674 8.012 5.168 1.00 12.00 H new ATOM 0 HH22 ARG A 21 7.199 8.598 4.495 1.00 12.00 H new ATOM 306 N GLN A 22 7.792 0.071 6.396 1.00 45.34 N ATOM 307 CA GLN A 22 7.478 -0.786 5.256 1.00 31.21 C ATOM 308 C GLN A 22 6.752 -2.060 5.726 1.00 12.41 C ATOM 309 O GLN A 22 6.675 -2.323 6.927 1.00 5.04 O ATOM 310 CB GLN A 22 8.781 -1.112 4.492 1.00 71.41 C ATOM 311 CG GLN A 22 9.229 -0.062 3.455 1.00 52.04 C ATOM 312 CD GLN A 22 10.336 -0.602 2.545 1.00 44.23 C ATOM 313 OE1 GLN A 22 10.086 -1.181 1.491 1.00 43.15 O ATOM 314 NE2 GLN A 22 11.590 -0.491 2.942 1.00 24.50 N ATOM 0 H GLN A 22 8.171 -0.453 7.185 1.00 45.34 H new ATOM 0 HA GLN A 22 6.803 -0.267 4.576 1.00 31.21 H new ATOM 0 HB2 GLN A 22 9.583 -1.244 5.218 1.00 71.41 H new ATOM 0 HB3 GLN A 22 8.652 -2.067 3.983 1.00 71.41 H new ATOM 0 HG2 GLN A 22 8.374 0.239 2.849 1.00 52.04 H new ATOM 0 HG3 GLN A 22 9.584 0.830 3.971 1.00 52.04 H new ATOM 0 HE21 GLN A 22 11.808 -0.012 3.816 1.00 24.50 H new ATOM 0 HE22 GLN A 22 12.341 -0.884 2.375 1.00 24.50 H new ATOM 321 N LEU A 23 6.243 -2.858 4.784 1.00 62.31 N ATOM 322 CA LEU A 23 5.535 -4.136 4.946 1.00 41.42 C ATOM 323 C LEU A 23 6.018 -5.099 3.859 1.00 32.51 C ATOM 324 O LEU A 23 5.965 -4.738 2.687 1.00 14.40 O ATOM 325 CB LEU A 23 4.022 -3.894 4.830 1.00 31.44 C ATOM 326 CG LEU A 23 3.056 -5.083 4.622 1.00 14.02 C ATOM 327 CD1 LEU A 23 2.527 -5.094 3.194 1.00 21.54 C ATOM 328 CD2 LEU A 23 3.516 -6.495 4.960 1.00 64.12 C ATOM 0 H LEU A 23 6.322 -2.606 3.799 1.00 62.31 H new ATOM 0 HA LEU A 23 5.740 -4.570 5.925 1.00 41.42 H new ATOM 0 HB2 LEU A 23 3.707 -3.377 5.737 1.00 31.44 H new ATOM 0 HB3 LEU A 23 3.868 -3.204 4.000 1.00 31.44 H new ATOM 0 HG LEU A 23 2.302 -4.868 5.379 1.00 14.02 H new ATOM 0 HD11 LEU A 23 1.848 -5.937 3.064 1.00 21.54 H new ATOM 0 HD12 LEU A 23 1.993 -4.165 2.997 1.00 21.54 H new ATOM 0 HD13 LEU A 23 3.360 -5.188 2.498 1.00 21.54 H new ATOM 0 HD21 LEU A 23 2.711 -7.200 4.752 1.00 64.12 H new ATOM 0 HD22 LEU A 23 4.386 -6.749 4.354 1.00 64.12 H new ATOM 0 HD23 LEU A 23 3.781 -6.548 6.016 1.00 64.12 H new ATOM 339 N GLU A 24 6.481 -6.293 4.242 1.00 23.54 N ATOM 340 CA GLU A 24 6.986 -7.358 3.358 1.00 43.21 C ATOM 341 C GLU A 24 5.986 -8.496 3.196 1.00 43.43 C ATOM 342 O GLU A 24 5.295 -8.858 4.149 1.00 50.15 O ATOM 343 CB GLU A 24 8.236 -8.021 3.936 1.00 10.13 C ATOM 344 CG GLU A 24 9.346 -7.020 4.200 1.00 33.44 C ATOM 345 CD GLU A 24 10.730 -7.658 4.143 1.00 21.23 C ATOM 346 OE1 GLU A 24 11.231 -7.938 3.032 1.00 10.24 O ATOM 347 OE2 GLU A 24 11.354 -7.785 5.215 1.00 21.30 O ATOM 0 H GLU A 24 6.517 -6.560 5.226 1.00 23.54 H new ATOM 0 HA GLU A 24 7.183 -6.860 2.409 1.00 43.21 H new ATOM 0 HB2 GLU A 24 7.979 -8.529 4.865 1.00 10.13 H new ATOM 0 HB3 GLU A 24 8.594 -8.784 3.244 1.00 10.13 H new ATOM 0 HG2 GLU A 24 9.289 -6.216 3.466 1.00 33.44 H new ATOM 0 HG3 GLU A 24 9.198 -6.567 5.180 1.00 33.44 H new ATOM 352 N ILE A 25 5.958 -9.110 2.021 1.00 14.21 N ATOM 353 CA ILE A 25 4.852 -9.929 1.558 1.00 52.22 C ATOM 354 C ILE A 25 5.451 -11.135 0.846 1.00 32.34 C ATOM 355 O ILE A 25 6.276 -10.969 -0.051 1.00 74.23 O ATOM 356 CB ILE A 25 3.972 -9.092 0.599 1.00 13.32 C ATOM 357 CG1 ILE A 25 3.298 -7.879 1.309 1.00 13.32 C ATOM 358 CG2 ILE A 25 2.893 -9.991 -0.043 1.00 3.02 C ATOM 359 CD1 ILE A 25 2.657 -6.905 0.316 1.00 2.14 C ATOM 0 H ILE A 25 6.723 -9.049 1.349 1.00 14.21 H new ATOM 0 HA ILE A 25 4.223 -10.265 2.382 1.00 52.22 H new ATOM 0 HB ILE A 25 4.629 -8.689 -0.172 1.00 13.32 H new ATOM 0 HG12 ILE A 25 2.537 -8.242 2.000 1.00 13.32 H new ATOM 0 HG13 ILE A 25 4.042 -7.350 1.904 1.00 13.32 H new ATOM 0 HG21 ILE A 25 2.277 -9.395 -0.717 1.00 3.02 H new ATOM 0 HG22 ILE A 25 3.374 -10.793 -0.604 1.00 3.02 H new ATOM 0 HG23 ILE A 25 2.265 -10.420 0.738 1.00 3.02 H new ATOM 0 HD11 ILE A 25 2.201 -6.078 0.860 1.00 2.14 H new ATOM 0 HD12 ILE A 25 3.421 -6.518 -0.359 1.00 2.14 H new ATOM 0 HD13 ILE A 25 1.892 -7.425 -0.261 1.00 2.14 H new ATOM 370 N SER A 26 4.983 -12.333 1.184 1.00 62.41 N ATOM 371 CA SER A 26 5.437 -13.594 0.617 1.00 22.25 C ATOM 372 C SER A 26 4.274 -14.269 -0.095 1.00 73.10 C ATOM 373 O SER A 26 3.127 -14.191 0.345 1.00 45.42 O ATOM 374 CB SER A 26 6.045 -14.393 1.779 1.00 41.43 C ATOM 375 OG SER A 26 6.370 -15.754 1.548 1.00 63.51 O ATOM 0 H SER A 26 4.252 -12.454 1.885 1.00 62.41 H new ATOM 0 HA SER A 26 6.205 -13.484 -0.149 1.00 22.25 H new ATOM 0 HB2 SER A 26 6.953 -13.881 2.098 1.00 41.43 H new ATOM 0 HB3 SER A 26 5.346 -14.353 2.615 1.00 41.43 H new ATOM 0 HG SER A 26 6.748 -16.143 2.364 1.00 63.51 H new ATOM 380 N PHE A 27 4.581 -14.925 -1.210 1.00 12.24 N ATOM 381 CA PHE A 27 3.643 -15.691 -2.019 1.00 35.55 C ATOM 382 C PHE A 27 4.090 -17.148 -2.088 1.00 71.40 C ATOM 383 O PHE A 27 5.282 -17.444 -1.981 1.00 74.20 O ATOM 384 CB PHE A 27 3.556 -15.103 -3.432 1.00 60.23 C ATOM 385 CG PHE A 27 2.620 -13.927 -3.631 1.00 2.11 C ATOM 386 CD1 PHE A 27 1.263 -14.050 -3.292 1.00 72.41 C ATOM 387 CD2 PHE A 27 3.055 -12.779 -4.312 1.00 51.41 C ATOM 388 CE1 PHE A 27 0.340 -13.056 -3.657 1.00 32.35 C ATOM 389 CE2 PHE A 27 2.126 -11.798 -4.702 1.00 11.32 C ATOM 390 CZ PHE A 27 0.765 -11.934 -4.385 1.00 51.24 C ATOM 0 H PHE A 27 5.528 -14.937 -1.588 1.00 12.24 H new ATOM 0 HA PHE A 27 2.657 -15.640 -1.558 1.00 35.55 H new ATOM 0 HB2 PHE A 27 4.557 -14.794 -3.733 1.00 60.23 H new ATOM 0 HB3 PHE A 27 3.250 -15.898 -4.112 1.00 60.23 H new ATOM 0 HD1 PHE A 27 0.925 -14.918 -2.745 1.00 72.41 H new ATOM 0 HD2 PHE A 27 4.103 -12.649 -4.536 1.00 51.41 H new ATOM 0 HE1 PHE A 27 -0.698 -13.155 -3.377 1.00 32.35 H new ATOM 0 HE2 PHE A 27 2.463 -10.931 -5.251 1.00 11.32 H new ATOM 0 HZ PHE A 27 0.054 -11.184 -4.698 1.00 51.24 H new ATOM 399 N ASP A 28 3.137 -18.060 -2.310 1.00 42.33 N ATOM 400 CA ASP A 28 3.400 -19.503 -2.254 1.00 12.23 C ATOM 401 C ASP A 28 3.928 -20.054 -3.580 1.00 2.21 C ATOM 402 O ASP A 28 4.298 -21.224 -3.676 1.00 34.25 O ATOM 403 CB ASP A 28 2.126 -20.267 -1.864 1.00 75.54 C ATOM 404 CG ASP A 28 2.403 -21.561 -1.096 1.00 73.22 C ATOM 405 OD1 ASP A 28 3.377 -21.643 -0.313 1.00 35.41 O ATOM 406 OD2 ASP A 28 1.542 -22.465 -1.199 1.00 54.32 O ATOM 0 H ASP A 28 2.170 -17.822 -2.532 1.00 42.33 H new ATOM 0 HA ASP A 28 4.171 -19.649 -1.498 1.00 12.23 H new ATOM 0 HB2 ASP A 28 1.496 -19.620 -1.254 1.00 75.54 H new ATOM 0 HB3 ASP A 28 1.562 -20.503 -2.767 1.00 75.54 H new ATOM 410 N ASN A 29 3.951 -19.221 -4.623 1.00 62.14 N ATOM 411 CA ASN A 29 4.601 -19.544 -5.888 1.00 60.13 C ATOM 412 C ASN A 29 6.123 -19.398 -5.796 1.00 3.21 C ATOM 413 O ASN A 29 6.817 -20.046 -6.582 1.00 51.10 O ATOM 414 CB ASN A 29 4.047 -18.688 -7.039 1.00 51.44 C ATOM 415 CG ASN A 29 4.396 -17.207 -6.942 1.00 32.32 C ATOM 416 OD1 ASN A 29 4.790 -16.706 -5.894 1.00 53.04 O ATOM 417 ND2 ASN A 29 4.211 -16.458 -8.006 1.00 44.12 N ATOM 0 H ASN A 29 3.516 -18.299 -4.610 1.00 62.14 H new ATOM 0 HA ASN A 29 4.376 -20.589 -6.102 1.00 60.13 H new ATOM 0 HB2 ASN A 29 4.428 -19.078 -7.983 1.00 51.44 H new ATOM 0 HB3 ASN A 29 2.962 -18.793 -7.065 1.00 51.44 H new ATOM 0 HD21 ASN A 29 4.395 -15.456 -7.962 1.00 44.12 H new ATOM 0 HD22 ASN A 29 3.883 -16.879 -8.875 1.00 44.12 H new ATOM 423 N GLY A 30 6.622 -18.598 -4.845 1.00 20.31 N ATOM 424 CA GLY A 30 8.032 -18.347 -4.595 1.00 75.51 C ATOM 425 C GLY A 30 8.398 -16.858 -4.513 1.00 22.11 C ATOM 426 O GLY A 30 9.432 -16.547 -3.922 1.00 31.12 O ATOM 0 H GLY A 30 6.017 -18.087 -4.202 1.00 20.31 H new ATOM 0 HA2 GLY A 30 8.317 -18.832 -3.661 1.00 75.51 H new ATOM 0 HA3 GLY A 30 8.619 -18.811 -5.387 1.00 75.51 H new ATOM 430 N GLN A 31 7.598 -15.922 -5.048 1.00 31.13 N ATOM 431 CA GLN A 31 7.970 -14.497 -5.038 1.00 61.53 C ATOM 432 C GLN A 31 7.848 -13.891 -3.641 1.00 35.52 C ATOM 433 O GLN A 31 7.105 -14.388 -2.787 1.00 23.31 O ATOM 434 CB GLN A 31 7.139 -13.686 -6.064 1.00 64.21 C ATOM 435 CG GLN A 31 7.437 -14.063 -7.529 1.00 34.14 C ATOM 436 CD GLN A 31 8.878 -13.800 -7.978 1.00 2.41 C ATOM 437 OE1 GLN A 31 9.476 -14.624 -8.670 1.00 20.12 O ATOM 438 NE2 GLN A 31 9.454 -12.649 -7.662 1.00 55.33 N ATOM 0 H GLN A 31 6.700 -16.122 -5.488 1.00 31.13 H new ATOM 0 HA GLN A 31 9.017 -14.440 -5.334 1.00 61.53 H new ATOM 0 HB2 GLN A 31 6.079 -13.841 -5.865 1.00 64.21 H new ATOM 0 HB3 GLN A 31 7.338 -12.624 -5.922 1.00 64.21 H new ATOM 0 HG2 GLN A 31 7.214 -15.121 -7.670 1.00 34.14 H new ATOM 0 HG3 GLN A 31 6.761 -13.506 -8.178 1.00 34.14 H new ATOM 0 HE21 GLN A 31 8.955 -11.969 -7.088 1.00 55.33 H new ATOM 0 HE22 GLN A 31 10.397 -12.443 -7.992 1.00 55.33 H new ATOM 445 N GLN A 32 8.568 -12.790 -3.444 1.00 75.53 N ATOM 446 CA GLN A 32 8.511 -11.903 -2.298 1.00 33.33 C ATOM 447 C GLN A 32 8.581 -10.459 -2.786 1.00 11.00 C ATOM 448 O GLN A 32 8.944 -10.214 -3.939 1.00 53.33 O ATOM 449 CB GLN A 32 9.667 -12.226 -1.331 1.00 63.13 C ATOM 450 CG GLN A 32 9.132 -12.552 0.064 1.00 44.15 C ATOM 451 CD GLN A 32 9.099 -11.400 1.070 1.00 64.34 C ATOM 452 OE1 GLN A 32 9.094 -10.227 0.719 1.00 73.51 O ATOM 453 NE2 GLN A 32 9.131 -11.711 2.355 1.00 34.43 N ATOM 0 H GLN A 32 9.253 -12.477 -4.132 1.00 75.53 H new ATOM 0 HA GLN A 32 7.575 -12.043 -1.757 1.00 33.33 H new ATOM 0 HB2 GLN A 32 10.241 -13.071 -1.712 1.00 63.13 H new ATOM 0 HB3 GLN A 32 10.348 -11.377 -1.275 1.00 63.13 H new ATOM 0 HG2 GLN A 32 8.119 -12.942 -0.042 1.00 44.15 H new ATOM 0 HG3 GLN A 32 9.740 -13.354 0.484 1.00 44.15 H new ATOM 0 HE21 GLN A 32 9.135 -12.690 2.643 1.00 34.43 H new ATOM 0 HE22 GLN A 32 9.152 -10.972 3.058 1.00 34.43 H new ATOM 460 N PHE A 33 8.256 -9.508 -1.910 1.00 20.11 N ATOM 461 CA PHE A 33 8.381 -8.068 -2.129 1.00 13.23 C ATOM 462 C PHE A 33 7.998 -7.267 -0.887 1.00 22.11 C ATOM 463 O PHE A 33 7.483 -7.819 0.078 1.00 5.44 O ATOM 464 CB PHE A 33 7.535 -7.614 -3.323 1.00 71.34 C ATOM 465 CG PHE A 33 6.146 -8.172 -3.481 1.00 44.31 C ATOM 466 CD1 PHE A 33 5.165 -7.858 -2.535 1.00 32.34 C ATOM 467 CD2 PHE A 33 5.797 -8.867 -4.655 1.00 2.23 C ATOM 468 CE1 PHE A 33 3.829 -8.195 -2.784 1.00 62.23 C ATOM 469 CE2 PHE A 33 4.456 -9.197 -4.900 1.00 64.31 C ATOM 470 CZ PHE A 33 3.466 -8.822 -3.971 1.00 54.21 C ATOM 0 H PHE A 33 7.882 -9.731 -0.988 1.00 20.11 H new ATOM 0 HA PHE A 33 9.431 -7.874 -2.347 1.00 13.23 H new ATOM 0 HB2 PHE A 33 7.451 -6.528 -3.274 1.00 71.34 H new ATOM 0 HB3 PHE A 33 8.091 -7.850 -4.230 1.00 71.34 H new ATOM 0 HD1 PHE A 33 5.437 -7.358 -1.617 1.00 32.34 H new ATOM 0 HD2 PHE A 33 6.561 -9.146 -5.366 1.00 2.23 H new ATOM 0 HE1 PHE A 33 3.073 -7.966 -2.047 1.00 62.23 H new ATOM 0 HE2 PHE A 33 4.184 -9.736 -5.796 1.00 64.31 H new ATOM 0 HZ PHE A 33 2.425 -9.021 -4.180 1.00 54.21 H new ATOM 479 N THR A 34 8.209 -5.952 -0.919 1.00 63.52 N ATOM 480 CA THR A 34 7.866 -5.020 0.141 1.00 70.43 C ATOM 481 C THR A 34 7.234 -3.759 -0.456 1.00 74.52 C ATOM 482 O THR A 34 7.639 -3.337 -1.540 1.00 53.45 O ATOM 483 CB THR A 34 9.168 -4.639 0.858 1.00 43.32 C ATOM 484 OG1 THR A 34 9.951 -5.754 1.225 1.00 30.50 O ATOM 485 CG2 THR A 34 8.954 -3.855 2.145 1.00 71.43 C ATOM 0 H THR A 34 8.642 -5.493 -1.720 1.00 63.52 H new ATOM 0 HA THR A 34 7.155 -5.475 0.831 1.00 70.43 H new ATOM 0 HB THR A 34 9.675 -4.027 0.112 1.00 43.32 H new ATOM 0 HG1 THR A 34 10.766 -5.448 1.675 1.00 30.50 H new ATOM 0 HG21 THR A 34 9.920 -3.622 2.594 1.00 71.43 H new ATOM 0 HG22 THR A 34 8.424 -2.929 1.923 1.00 71.43 H new ATOM 0 HG23 THR A 34 8.365 -4.452 2.841 1.00 71.43 H new ATOM 493 N LEU A 35 6.332 -3.110 0.286 1.00 24.14 N ATOM 494 CA LEU A 35 5.841 -1.753 0.030 1.00 33.11 C ATOM 495 C LEU A 35 6.001 -0.864 1.257 1.00 44.14 C ATOM 496 O LEU A 35 6.167 -1.371 2.372 1.00 43.42 O ATOM 497 CB LEU A 35 4.356 -1.826 -0.334 1.00 2.32 C ATOM 498 CG LEU A 35 4.161 -2.227 -1.794 1.00 64.42 C ATOM 499 CD1 LEU A 35 2.753 -2.780 -1.965 1.00 30.31 C ATOM 500 CD2 LEU A 35 4.373 -1.026 -2.710 1.00 34.42 C ATOM 0 H LEU A 35 5.908 -3.531 1.112 1.00 24.14 H new ATOM 0 HA LEU A 35 6.423 -1.324 -0.786 1.00 33.11 H new ATOM 0 HB2 LEU A 35 3.856 -2.547 0.313 1.00 2.32 H new ATOM 0 HB3 LEU A 35 3.888 -0.858 -0.155 1.00 2.32 H new ATOM 0 HG LEU A 35 4.892 -2.989 -2.064 1.00 64.42 H new ATOM 0 HD11 LEU A 35 2.600 -3.071 -3.004 1.00 30.31 H new ATOM 0 HD12 LEU A 35 2.623 -3.651 -1.322 1.00 30.31 H new ATOM 0 HD13 LEU A 35 2.026 -2.015 -1.691 1.00 30.31 H new ATOM 0 HD21 LEU A 35 4.230 -1.330 -3.747 1.00 34.42 H new ATOM 0 HD22 LEU A 35 3.655 -0.245 -2.458 1.00 34.42 H new ATOM 0 HD23 LEU A 35 5.385 -0.644 -2.580 1.00 34.42 H new ATOM 511 N SER A 36 5.852 0.452 1.093 1.00 23.54 N ATOM 512 CA SER A 36 5.932 1.436 2.165 1.00 64.42 C ATOM 513 C SER A 36 4.548 1.742 2.733 1.00 41.01 C ATOM 514 O SER A 36 3.524 1.650 2.047 1.00 30.54 O ATOM 515 CB SER A 36 6.679 2.670 1.656 1.00 50.31 C ATOM 516 OG SER A 36 6.062 3.225 0.521 1.00 73.24 O ATOM 0 H SER A 36 5.667 0.871 0.182 1.00 23.54 H new ATOM 0 HA SER A 36 6.502 1.036 3.004 1.00 64.42 H new ATOM 0 HB2 SER A 36 6.725 3.419 2.447 1.00 50.31 H new ATOM 0 HB3 SER A 36 7.707 2.398 1.414 1.00 50.31 H new ATOM 0 HG SER A 36 6.566 4.012 0.226 1.00 73.24 H new ATOM 521 N CYS A 37 4.495 2.028 4.037 1.00 42.25 N ATOM 522 CA CYS A 37 3.239 2.264 4.732 1.00 30.31 C ATOM 523 C CYS A 37 2.500 3.468 4.153 1.00 72.54 C ATOM 524 O CYS A 37 1.268 3.477 4.139 1.00 63.43 O ATOM 525 CB CYS A 37 3.473 2.506 6.220 1.00 62.13 C ATOM 526 SG CYS A 37 4.281 1.102 7.033 1.00 41.34 S ATOM 0 H CYS A 37 5.320 2.101 4.632 1.00 42.25 H new ATOM 0 HA CYS A 37 2.632 1.369 4.597 1.00 30.31 H new ATOM 0 HB2 CYS A 37 4.087 3.398 6.348 1.00 62.13 H new ATOM 0 HB3 CYS A 37 2.518 2.704 6.707 1.00 62.13 H new ATOM 0 HG CYS A 37 4.568 1.418 8.261 1.00 41.34 H new ATOM 531 N GLU A 38 3.221 4.497 3.702 1.00 32.21 N ATOM 532 CA GLU A 38 2.572 5.632 3.089 1.00 24.34 C ATOM 533 C GLU A 38 2.034 5.291 1.700 1.00 1.11 C ATOM 534 O GLU A 38 0.914 5.708 1.411 1.00 31.54 O ATOM 535 CB GLU A 38 3.488 6.851 3.132 1.00 13.00 C ATOM 536 CG GLU A 38 4.562 6.956 2.050 1.00 32.11 C ATOM 537 CD GLU A 38 5.480 8.142 2.357 1.00 51.22 C ATOM 538 OE1 GLU A 38 4.951 9.239 2.675 1.00 31.54 O ATOM 539 OE2 GLU A 38 6.718 7.941 2.344 1.00 1.13 O ATOM 0 H GLU A 38 4.238 4.558 3.753 1.00 32.21 H new ATOM 0 HA GLU A 38 1.687 5.898 3.667 1.00 24.34 H new ATOM 0 HB2 GLU A 38 2.865 7.744 3.077 1.00 13.00 H new ATOM 0 HB3 GLU A 38 3.984 6.867 4.103 1.00 13.00 H new ATOM 0 HG2 GLU A 38 5.142 6.034 2.008 1.00 32.11 H new ATOM 0 HG3 GLU A 38 4.097 7.085 1.072 1.00 32.11 H new ATOM 544 N LEU A 39 2.743 4.495 0.878 1.00 32.11 N ATOM 545 CA LEU A 39 2.245 4.101 -0.446 1.00 32.20 C ATOM 546 C LEU A 39 0.934 3.329 -0.297 1.00 52.42 C ATOM 547 O LEU A 39 -0.028 3.592 -1.016 1.00 53.13 O ATOM 548 CB LEU A 39 3.272 3.293 -1.263 1.00 50.35 C ATOM 549 CG LEU A 39 2.998 3.350 -2.788 1.00 32.41 C ATOM 550 CD1 LEU A 39 3.445 4.709 -3.340 1.00 51.35 C ATOM 551 CD2 LEU A 39 3.734 2.233 -3.551 1.00 34.51 C ATOM 0 H LEU A 39 3.660 4.115 1.110 1.00 32.11 H new ATOM 0 HA LEU A 39 2.067 5.016 -1.010 1.00 32.20 H new ATOM 0 HB2 LEU A 39 4.273 3.676 -1.063 1.00 50.35 H new ATOM 0 HB3 LEU A 39 3.257 2.254 -0.933 1.00 50.35 H new ATOM 0 HG LEU A 39 1.927 3.209 -2.933 1.00 32.41 H new ATOM 0 HD11 LEU A 39 3.252 4.748 -4.412 1.00 51.35 H new ATOM 0 HD12 LEU A 39 2.890 5.504 -2.842 1.00 51.35 H new ATOM 0 HD13 LEU A 39 4.511 4.842 -3.158 1.00 51.35 H new ATOM 0 HD21 LEU A 39 3.513 2.312 -4.615 1.00 34.51 H new ATOM 0 HD22 LEU A 39 4.808 2.333 -3.395 1.00 34.51 H new ATOM 0 HD23 LEU A 39 3.403 1.262 -3.183 1.00 34.51 H new ATOM 562 N LEU A 40 0.863 2.440 0.696 1.00 63.54 N ATOM 563 CA LEU A 40 -0.352 1.746 1.121 1.00 5.01 C ATOM 564 C LEU A 40 -1.495 2.739 1.369 1.00 2.41 C ATOM 565 O LEU A 40 -2.603 2.559 0.866 1.00 30.11 O ATOM 566 CB LEU A 40 -0.042 0.930 2.395 1.00 61.12 C ATOM 567 CG LEU A 40 0.175 -0.587 2.217 1.00 53.13 C ATOM 568 CD1 LEU A 40 1.129 -0.939 1.075 1.00 65.31 C ATOM 569 CD2 LEU A 40 0.725 -1.158 3.535 1.00 64.31 C ATOM 0 H LEU A 40 1.680 2.175 1.245 1.00 63.54 H new ATOM 0 HA LEU A 40 -0.678 1.071 0.330 1.00 5.01 H new ATOM 0 HB2 LEU A 40 0.852 1.349 2.857 1.00 61.12 H new ATOM 0 HB3 LEU A 40 -0.862 1.075 3.099 1.00 61.12 H new ATOM 0 HG LEU A 40 -0.789 -1.025 1.958 1.00 53.13 H new ATOM 0 HD11 LEU A 40 1.234 -2.022 1.009 1.00 65.31 H new ATOM 0 HD12 LEU A 40 0.730 -0.555 0.136 1.00 65.31 H new ATOM 0 HD13 LEU A 40 2.104 -0.491 1.265 1.00 65.31 H new ATOM 0 HD21 LEU A 40 0.885 -2.231 3.428 1.00 64.31 H new ATOM 0 HD22 LEU A 40 1.671 -0.672 3.775 1.00 64.31 H new ATOM 0 HD23 LEU A 40 0.010 -0.976 4.337 1.00 64.31 H new ATOM 580 N ARG A 41 -1.257 3.775 2.182 1.00 10.00 N ATOM 581 CA ARG A 41 -2.337 4.665 2.592 1.00 11.43 C ATOM 582 C ARG A 41 -2.782 5.586 1.458 1.00 63.52 C ATOM 583 O ARG A 41 -3.984 5.813 1.321 1.00 70.13 O ATOM 584 CB ARG A 41 -1.948 5.434 3.865 1.00 71.24 C ATOM 585 CG ARG A 41 -3.181 5.965 4.608 1.00 54.43 C ATOM 586 CD ARG A 41 -3.735 7.293 4.070 1.00 43.21 C ATOM 587 NE ARG A 41 -5.173 7.417 4.333 1.00 54.23 N ATOM 588 CZ ARG A 41 -6.162 7.730 3.493 1.00 42.42 C ATOM 589 NH1 ARG A 41 -6.002 7.639 2.176 1.00 34.33 N ATOM 590 NH2 ARG A 41 -7.302 8.167 4.010 1.00 22.30 N ATOM 0 H ARG A 41 -0.340 4.011 2.561 1.00 10.00 H new ATOM 0 HA ARG A 41 -3.207 4.054 2.834 1.00 11.43 H new ATOM 0 HB2 ARG A 41 -1.379 4.780 4.526 1.00 71.24 H new ATOM 0 HB3 ARG A 41 -1.295 6.267 3.602 1.00 71.24 H new ATOM 0 HG2 ARG A 41 -3.969 5.213 4.560 1.00 54.43 H new ATOM 0 HG3 ARG A 41 -2.926 6.093 5.660 1.00 54.43 H new ATOM 0 HD2 ARG A 41 -3.205 8.125 4.534 1.00 43.21 H new ATOM 0 HD3 ARG A 41 -3.553 7.358 2.997 1.00 43.21 H new ATOM 0 HE ARG A 41 -5.458 7.238 5.296 1.00 54.23 H new ATOM 0 HH11 ARG A 41 -5.111 7.325 1.791 1.00 34.33 H new ATOM 0 HH12 ARG A 41 -6.770 7.883 1.551 1.00 34.33 H new ATOM 0 HH21 ARG A 41 -7.403 8.255 5.021 1.00 22.30 H new ATOM 0 HH22 ARG A 41 -8.078 8.415 3.397 1.00 22.30 H new ATOM 601 N VAL A 42 -1.859 6.182 0.699 1.00 45.32 N ATOM 602 CA VAL A 42 -2.213 7.026 -0.447 1.00 5.42 C ATOM 603 C VAL A 42 -3.005 6.160 -1.435 1.00 10.04 C ATOM 604 O VAL A 42 -4.176 6.455 -1.694 1.00 30.32 O ATOM 605 CB VAL A 42 -0.976 7.762 -1.031 1.00 41.31 C ATOM 606 CG1 VAL A 42 -0.311 8.622 0.053 1.00 34.14 C ATOM 607 CG2 VAL A 42 0.085 6.888 -1.690 1.00 64.21 C ATOM 0 H VAL A 42 -0.855 6.095 0.858 1.00 45.32 H new ATOM 0 HA VAL A 42 -2.860 7.852 -0.151 1.00 5.42 H new ATOM 0 HB VAL A 42 -1.389 8.367 -1.838 1.00 41.31 H new ATOM 0 HG11 VAL A 42 0.555 9.133 -0.368 1.00 34.14 H new ATOM 0 HG12 VAL A 42 -1.024 9.360 0.421 1.00 34.14 H new ATOM 0 HG13 VAL A 42 0.009 7.985 0.877 1.00 34.14 H new ATOM 0 HG21 VAL A 42 0.896 7.516 -2.058 1.00 64.21 H new ATOM 0 HG22 VAL A 42 0.477 6.179 -0.961 1.00 64.21 H new ATOM 0 HG23 VAL A 42 -0.359 6.343 -2.523 1.00 64.21 H new ATOM 617 N TYR A 43 -2.414 5.053 -1.892 1.00 42.42 N ATOM 618 CA TYR A 43 -2.933 4.194 -2.941 1.00 74.52 C ATOM 619 C TYR A 43 -3.905 3.172 -2.339 1.00 10.12 C ATOM 620 O TYR A 43 -3.727 1.962 -2.492 1.00 32.32 O ATOM 621 CB TYR A 43 -1.754 3.547 -3.697 1.00 63.11 C ATOM 622 CG TYR A 43 -1.998 3.328 -5.178 1.00 11.24 C ATOM 623 CD1 TYR A 43 -3.076 2.545 -5.629 1.00 53.13 C ATOM 624 CD2 TYR A 43 -1.121 3.898 -6.119 1.00 14.42 C ATOM 625 CE1 TYR A 43 -3.249 2.307 -7.000 1.00 30.15 C ATOM 626 CE2 TYR A 43 -1.290 3.661 -7.492 1.00 30.32 C ATOM 627 CZ TYR A 43 -2.341 2.839 -7.938 1.00 3.15 C ATOM 628 OH TYR A 43 -2.480 2.566 -9.260 1.00 61.12 O ATOM 0 H TYR A 43 -1.523 4.723 -1.520 1.00 42.42 H new ATOM 0 HA TYR A 43 -3.502 4.770 -3.670 1.00 74.52 H new ATOM 0 HB2 TYR A 43 -0.873 4.177 -3.577 1.00 63.11 H new ATOM 0 HB3 TYR A 43 -1.525 2.587 -3.234 1.00 63.11 H new ATOM 0 HD1 TYR A 43 -3.772 2.126 -4.918 1.00 53.13 H new ATOM 0 HD2 TYR A 43 -0.309 4.525 -5.781 1.00 14.42 H new ATOM 0 HE1 TYR A 43 -4.084 1.712 -7.340 1.00 30.15 H new ATOM 0 HE2 TYR A 43 -0.614 4.109 -8.205 1.00 30.32 H new ATOM 0 HH TYR A 43 -1.769 3.015 -9.763 1.00 61.12 H new ATOM 637 N SER A 44 -4.934 3.637 -1.622 1.00 71.50 N ATOM 638 CA SER A 44 -5.912 2.739 -1.038 1.00 51.12 C ATOM 639 C SER A 44 -6.673 2.039 -2.170 1.00 53.43 C ATOM 640 O SER A 44 -7.019 2.723 -3.138 1.00 52.23 O ATOM 641 CB SER A 44 -6.861 3.545 -0.144 1.00 32.53 C ATOM 642 OG SER A 44 -7.520 4.576 -0.866 1.00 2.33 O ATOM 0 H SER A 44 -5.103 4.626 -1.438 1.00 71.50 H new ATOM 0 HA SER A 44 -5.426 1.981 -0.424 1.00 51.12 H new ATOM 0 HB2 SER A 44 -7.603 2.877 0.294 1.00 32.53 H new ATOM 0 HB3 SER A 44 -6.299 3.982 0.681 1.00 32.53 H new ATOM 0 HG SER A 44 -8.117 5.067 -0.264 1.00 2.33 H new ATOM 647 N PRO A 45 -7.058 0.763 -2.020 1.00 42.14 N ATOM 648 CA PRO A 45 -7.750 0.030 -3.076 1.00 42.24 C ATOM 649 C PRO A 45 -9.146 0.592 -3.349 1.00 72.30 C ATOM 650 O PRO A 45 -9.674 0.454 -4.453 1.00 11.14 O ATOM 651 CB PRO A 45 -7.784 -1.428 -2.603 1.00 10.44 C ATOM 652 CG PRO A 45 -7.566 -1.352 -1.093 1.00 72.22 C ATOM 653 CD PRO A 45 -6.706 -0.111 -0.918 1.00 2.25 C ATOM 0 HA PRO A 45 -7.234 0.121 -4.032 1.00 42.24 H new ATOM 0 HB2 PRO A 45 -8.737 -1.900 -2.842 1.00 10.44 H new ATOM 0 HB3 PRO A 45 -7.006 -2.019 -3.086 1.00 10.44 H new ATOM 0 HG2 PRO A 45 -8.510 -1.264 -0.556 1.00 72.22 H new ATOM 0 HG3 PRO A 45 -7.065 -2.243 -0.715 1.00 72.22 H new ATOM 0 HD2 PRO A 45 -6.900 0.369 0.041 1.00 2.25 H new ATOM 0 HD3 PRO A 45 -5.646 -0.362 -0.940 1.00 2.25 H new ATOM 658 N SER A 46 -9.751 1.252 -2.365 1.00 22.35 N ATOM 659 CA SER A 46 -11.076 1.841 -2.460 1.00 25.33 C ATOM 660 C SER A 46 -10.957 3.290 -2.937 1.00 41.42 C ATOM 661 O SER A 46 -11.407 4.213 -2.253 1.00 5.25 O ATOM 662 CB SER A 46 -11.765 1.674 -1.102 1.00 33.01 C ATOM 663 OG SER A 46 -10.894 2.014 -0.024 1.00 42.44 O ATOM 0 H SER A 46 -9.316 1.394 -1.453 1.00 22.35 H new ATOM 0 HA SER A 46 -11.700 1.341 -3.200 1.00 25.33 H new ATOM 0 HB2 SER A 46 -12.654 2.304 -1.065 1.00 33.01 H new ATOM 0 HB3 SER A 46 -12.100 0.643 -0.988 1.00 33.01 H new ATOM 0 HG SER A 46 -11.366 1.898 0.827 1.00 42.44 H new ATOM 777 N VAL A 56 -8.814 9.879 -4.925 1.00 5.21 N ATOM 778 CA VAL A 56 -8.710 11.086 -4.111 1.00 72.20 C ATOM 779 C VAL A 56 -7.265 11.585 -4.194 1.00 51.03 C ATOM 780 O VAL A 56 -6.334 10.778 -4.257 1.00 64.54 O ATOM 781 CB VAL A 56 -9.191 10.793 -2.669 1.00 63.42 C ATOM 782 CG1 VAL A 56 -9.430 12.099 -1.896 1.00 12.11 C ATOM 783 CG2 VAL A 56 -10.496 9.977 -2.624 1.00 34.55 C ATOM 0 HA VAL A 56 -9.358 11.882 -4.479 1.00 72.20 H new ATOM 0 HB VAL A 56 -8.395 10.207 -2.210 1.00 63.42 H new ATOM 0 HG11 VAL A 56 -9.767 11.867 -0.886 1.00 12.11 H new ATOM 0 HG12 VAL A 56 -8.502 12.668 -1.847 1.00 12.11 H new ATOM 0 HG13 VAL A 56 -10.191 12.690 -2.406 1.00 12.11 H new ATOM 0 HG21 VAL A 56 -10.781 9.804 -1.586 1.00 34.55 H new ATOM 0 HG22 VAL A 56 -11.288 10.529 -3.131 1.00 34.55 H new ATOM 0 HG23 VAL A 56 -10.344 9.020 -3.123 1.00 34.55 H new ATOM 793 N LEU A 57 -7.060 12.905 -4.210 1.00 54.24 N ATOM 794 CA LEU A 57 -5.732 13.509 -4.283 1.00 63.42 C ATOM 795 C LEU A 57 -5.087 13.467 -2.895 1.00 11.10 C ATOM 796 O LEU A 57 -5.547 14.123 -1.950 1.00 74.42 O ATOM 797 CB LEU A 57 -5.822 14.940 -4.841 1.00 5.23 C ATOM 798 CG LEU A 57 -4.521 15.511 -5.451 1.00 74.14 C ATOM 799 CD1 LEU A 57 -3.321 15.602 -4.503 1.00 31.11 C ATOM 800 CD2 LEU A 57 -4.089 14.752 -6.711 1.00 31.10 C ATOM 0 H LEU A 57 -7.818 13.587 -4.172 1.00 54.24 H new ATOM 0 HA LEU A 57 -5.101 12.944 -4.969 1.00 63.42 H new ATOM 0 HB2 LEU A 57 -6.599 14.963 -5.605 1.00 5.23 H new ATOM 0 HB3 LEU A 57 -6.145 15.603 -4.038 1.00 5.23 H new ATOM 0 HG LEU A 57 -4.805 16.535 -5.694 1.00 74.14 H new ATOM 0 HD11 LEU A 57 -2.466 16.016 -5.037 1.00 31.11 H new ATOM 0 HD12 LEU A 57 -3.570 16.248 -3.661 1.00 31.11 H new ATOM 0 HD13 LEU A 57 -3.072 14.607 -4.135 1.00 31.11 H new ATOM 0 HD21 LEU A 57 -3.171 15.190 -7.103 1.00 31.10 H new ATOM 0 HD22 LEU A 57 -3.915 13.705 -6.463 1.00 31.10 H new ATOM 0 HD23 LEU A 57 -4.874 14.821 -7.464 1.00 31.10 H new ATOM 811 N VAL A 58 -4.033 12.669 -2.765 1.00 4.33 N ATOM 812 CA VAL A 58 -3.343 12.352 -1.528 1.00 31.50 C ATOM 813 C VAL A 58 -1.924 12.918 -1.515 1.00 71.35 C ATOM 814 O VAL A 58 -1.392 13.299 -2.559 1.00 2.04 O ATOM 815 CB VAL A 58 -3.381 10.823 -1.332 1.00 10.14 C ATOM 816 CG1 VAL A 58 -4.710 10.463 -0.674 1.00 64.53 C ATOM 817 CG2 VAL A 58 -3.232 10.006 -2.629 1.00 43.45 C ATOM 0 H VAL A 58 -3.616 12.201 -3.569 1.00 4.33 H new ATOM 0 HA VAL A 58 -3.847 12.825 -0.685 1.00 31.50 H new ATOM 0 HB VAL A 58 -2.521 10.565 -0.714 1.00 10.14 H new ATOM 0 HG11 VAL A 58 -4.762 9.385 -0.524 1.00 64.53 H new ATOM 0 HG12 VAL A 58 -4.787 10.967 0.289 1.00 64.53 H new ATOM 0 HG13 VAL A 58 -5.532 10.780 -1.316 1.00 64.53 H new ATOM 0 HG21 VAL A 58 -3.270 8.942 -2.395 1.00 43.45 H new ATOM 0 HG22 VAL A 58 -4.043 10.257 -3.312 1.00 43.45 H new ATOM 0 HG23 VAL A 58 -2.277 10.240 -3.099 1.00 43.45 H new ATOM 827 N THR A 59 -1.323 12.987 -0.326 1.00 44.12 N ATOM 828 CA THR A 59 -0.027 13.611 -0.093 1.00 34.34 C ATOM 829 C THR A 59 0.961 12.627 0.533 1.00 51.03 C ATOM 830 O THR A 59 0.588 11.498 0.849 1.00 71.35 O ATOM 831 CB THR A 59 -0.194 14.847 0.814 1.00 23.34 C ATOM 832 OG1 THR A 59 -0.632 14.480 2.116 1.00 31.42 O ATOM 833 CG2 THR A 59 -1.169 15.877 0.245 1.00 62.12 C ATOM 0 H THR A 59 -1.738 12.599 0.521 1.00 44.12 H new ATOM 0 HA THR A 59 0.377 13.922 -1.056 1.00 34.34 H new ATOM 0 HB THR A 59 0.795 15.302 0.867 1.00 23.34 H new ATOM 0 HG1 THR A 59 0.091 14.013 2.585 1.00 31.42 H new ATOM 0 HG21 THR A 59 -1.244 16.723 0.928 1.00 62.12 H new ATOM 0 HG22 THR A 59 -0.808 16.223 -0.723 1.00 62.12 H new ATOM 0 HG23 THR A 59 -2.151 15.420 0.124 1.00 62.12 H new ATOM 841 N HIS A 60 2.178 13.099 0.840 1.00 2.14 N ATOM 842 CA HIS A 60 3.051 12.446 1.816 1.00 63.53 C ATOM 843 C HIS A 60 2.303 12.164 3.124 1.00 45.03 C ATOM 844 O HIS A 60 1.305 12.846 3.415 1.00 31.13 O ATOM 845 CB HIS A 60 4.318 13.268 2.060 1.00 71.25 C ATOM 846 CG HIS A 60 5.081 13.581 0.791 1.00 73.31 C ATOM 847 ND1 HIS A 60 5.472 12.684 -0.184 1.00 10.04 N ATOM 848 CD2 HIS A 60 5.468 14.825 0.378 1.00 13.30 C ATOM 849 CE1 HIS A 60 6.087 13.382 -1.152 1.00 42.24 C ATOM 850 NE2 HIS A 60 6.091 14.695 -0.865 1.00 70.12 N ATOM 0 H HIS A 60 2.579 13.938 0.420 1.00 2.14 H new ATOM 0 HA HIS A 60 3.359 11.486 1.401 1.00 63.53 H new ATOM 0 HB2 HIS A 60 4.048 14.202 2.553 1.00 71.25 H new ATOM 0 HB3 HIS A 60 4.970 12.724 2.743 1.00 71.25 H new ATOM 0 HD1 HIS A 60 5.321 11.675 -0.171 1.00 10.04 H new ATOM 0 HD2 HIS A 60 5.318 15.748 0.919 1.00 13.30 H new ATOM 0 HE1 HIS A 60 6.520 12.947 -2.041 1.00 42.24 H new ATOM 857 N LYS A 61 2.777 11.202 3.926 1.00 25.33 N ATOM 858 CA LYS A 61 2.116 10.792 5.169 1.00 63.43 C ATOM 859 C LYS A 61 3.165 10.669 6.278 1.00 33.41 C ATOM 860 O LYS A 61 4.049 9.814 6.218 1.00 54.14 O ATOM 861 CB LYS A 61 1.364 9.458 4.977 1.00 71.55 C ATOM 862 CG LYS A 61 0.474 9.260 3.728 1.00 1.24 C ATOM 863 CD LYS A 61 -0.973 9.741 3.895 1.00 21.11 C ATOM 864 CE LYS A 61 -1.107 11.267 3.922 1.00 1.03 C ATOM 865 NZ LYS A 61 -2.452 11.694 4.361 1.00 22.30 N ATOM 0 H LYS A 61 3.634 10.685 3.729 1.00 25.33 H new ATOM 0 HA LYS A 61 1.381 11.546 5.450 1.00 63.43 H new ATOM 0 HB2 LYS A 61 2.107 8.661 4.979 1.00 71.55 H new ATOM 0 HB3 LYS A 61 0.734 9.309 5.854 1.00 71.55 H new ATOM 0 HG2 LYS A 61 0.925 9.789 2.889 1.00 1.24 H new ATOM 0 HG3 LYS A 61 0.464 8.201 3.469 1.00 1.24 H new ATOM 0 HD2 LYS A 61 -1.576 9.345 3.078 1.00 21.11 H new ATOM 0 HD3 LYS A 61 -1.380 9.331 4.820 1.00 21.11 H new ATOM 0 HE2 LYS A 61 -0.356 11.686 4.592 1.00 1.03 H new ATOM 0 HE3 LYS A 61 -0.905 11.667 2.928 1.00 1.03 H new ATOM 0 HZ1 LYS A 61 -2.502 12.733 4.366 1.00 22.30 H new ATOM 0 HZ2 LYS A 61 -3.167 11.316 3.707 1.00 22.30 H new ATOM 0 HZ3 LYS A 61 -2.635 11.334 5.319 1.00 22.30 H new ATOM 875 N LYS A 62 2.975 11.494 7.313 1.00 71.51 N ATOM 876 CA LYS A 62 3.899 11.811 8.399 1.00 10.42 C ATOM 877 C LYS A 62 4.610 10.587 8.975 1.00 14.00 C ATOM 878 O LYS A 62 5.841 10.532 9.018 1.00 4.02 O ATOM 879 CB LYS A 62 3.165 12.625 9.491 1.00 32.22 C ATOM 880 CG LYS A 62 1.737 12.140 9.821 1.00 74.41 C ATOM 881 CD LYS A 62 0.634 12.975 9.149 1.00 42.31 C ATOM 882 CE LYS A 62 -0.511 12.082 8.648 1.00 25.31 C ATOM 883 NZ LYS A 62 -1.806 12.802 8.621 1.00 13.00 N ATOM 0 H LYS A 62 2.095 11.998 7.418 1.00 71.51 H new ATOM 0 HA LYS A 62 4.697 12.422 7.977 1.00 10.42 H new ATOM 0 HB2 LYS A 62 3.761 12.599 10.403 1.00 32.22 H new ATOM 0 HB3 LYS A 62 3.114 13.666 9.173 1.00 32.22 H new ATOM 0 HG2 LYS A 62 1.634 11.100 9.511 1.00 74.41 H new ATOM 0 HG3 LYS A 62 1.594 12.166 10.901 1.00 74.41 H new ATOM 0 HD2 LYS A 62 0.245 13.706 9.858 1.00 42.31 H new ATOM 0 HD3 LYS A 62 1.055 13.534 8.313 1.00 42.31 H new ATOM 0 HE2 LYS A 62 -0.277 11.720 7.647 1.00 25.31 H new ATOM 0 HE3 LYS A 62 -0.596 11.207 9.292 1.00 25.31 H new ATOM 0 HZ1 LYS A 62 -2.551 12.163 8.277 1.00 13.00 H new ATOM 0 HZ2 LYS A 62 -2.043 13.126 9.580 1.00 13.00 H new ATOM 0 HZ3 LYS A 62 -1.734 13.623 7.987 1.00 13.00 H new ATOM 893 N ASN A 63 3.849 9.631 9.499 1.00 52.35 N ATOM 894 CA ASN A 63 4.350 8.404 10.093 1.00 31.22 C ATOM 895 C ASN A 63 3.140 7.504 10.209 1.00 44.22 C ATOM 896 O ASN A 63 2.423 7.528 11.204 1.00 53.24 O ATOM 897 CB ASN A 63 5.054 8.597 11.453 1.00 30.33 C ATOM 898 CG ASN A 63 4.544 9.762 12.296 1.00 31.21 C ATOM 899 OD1 ASN A 63 3.694 9.614 13.171 1.00 5.32 O ATOM 900 ND2 ASN A 63 5.076 10.940 12.014 1.00 23.30 N ATOM 0 H ASN A 63 2.831 9.695 9.521 1.00 52.35 H new ATOM 0 HA ASN A 63 5.134 7.977 9.468 1.00 31.22 H new ATOM 0 HB2 ASN A 63 4.948 7.679 12.031 1.00 30.33 H new ATOM 0 HB3 ASN A 63 6.120 8.740 11.274 1.00 30.33 H new ATOM 0 HD21 ASN A 63 4.783 11.769 12.531 1.00 23.30 H new ATOM 0 HD22 ASN A 63 5.779 11.019 11.279 1.00 23.30 H new ATOM 906 N VAL A 64 2.871 6.769 9.141 1.00 63.44 N ATOM 907 CA VAL A 64 1.901 5.689 9.115 1.00 2.31 C ATOM 908 C VAL A 64 2.712 4.446 9.481 1.00 13.10 C ATOM 909 O VAL A 64 3.704 4.136 8.810 1.00 2.13 O ATOM 910 CB VAL A 64 1.288 5.604 7.703 1.00 34.34 C ATOM 911 CG1 VAL A 64 0.207 4.533 7.530 1.00 45.21 C ATOM 912 CG2 VAL A 64 0.663 6.943 7.282 1.00 71.25 C ATOM 0 H VAL A 64 3.335 6.913 8.244 1.00 63.44 H new ATOM 0 HA VAL A 64 1.065 5.819 9.802 1.00 2.31 H new ATOM 0 HB VAL A 64 2.137 5.334 7.075 1.00 34.34 H new ATOM 0 HG11 VAL A 64 -0.162 4.551 6.505 1.00 45.21 H new ATOM 0 HG12 VAL A 64 0.629 3.552 7.746 1.00 45.21 H new ATOM 0 HG13 VAL A 64 -0.616 4.733 8.216 1.00 45.21 H new ATOM 0 HG21 VAL A 64 0.240 6.849 6.282 1.00 71.25 H new ATOM 0 HG22 VAL A 64 -0.125 7.214 7.985 1.00 71.25 H new ATOM 0 HG23 VAL A 64 1.430 7.718 7.280 1.00 71.25 H new ATOM 922 N ASN A 65 2.334 3.755 10.548 1.00 34.41 N ATOM 923 CA ASN A 65 2.851 2.449 10.897 1.00 74.34 C ATOM 924 C ASN A 65 1.734 1.473 11.220 1.00 34.11 C ATOM 925 O ASN A 65 0.955 1.675 12.156 1.00 41.23 O ATOM 926 CB ASN A 65 3.849 2.484 12.048 1.00 71.44 C ATOM 927 CG ASN A 65 4.938 1.545 11.603 1.00 64.24 C ATOM 928 OD1 ASN A 65 4.754 0.339 11.457 1.00 32.30 O ATOM 929 ND2 ASN A 65 6.006 2.120 11.100 1.00 21.51 N ATOM 0 H ASN A 65 1.640 4.102 11.210 1.00 34.41 H new ATOM 0 HA ASN A 65 3.385 2.105 10.011 1.00 74.34 H new ATOM 0 HB2 ASN A 65 4.232 3.491 12.216 1.00 71.44 H new ATOM 0 HB3 ASN A 65 3.394 2.156 12.983 1.00 71.44 H new ATOM 0 HD21 ASN A 65 6.689 1.565 10.584 1.00 21.51 H new ATOM 0 HD22 ASN A 65 6.153 3.122 11.225 1.00 21.51 H new ATOM 935 N ILE A 66 1.666 0.416 10.422 1.00 13.42 N ATOM 936 CA ILE A 66 0.589 -0.566 10.440 1.00 45.45 C ATOM 937 C ILE A 66 0.614 -1.271 11.784 1.00 41.14 C ATOM 938 O ILE A 66 1.647 -1.795 12.212 1.00 3.34 O ATOM 939 CB ILE A 66 0.732 -1.601 9.310 1.00 3.32 C ATOM 940 CG1 ILE A 66 1.179 -0.927 8.000 1.00 12.02 C ATOM 941 CG2 ILE A 66 -0.585 -2.366 9.120 1.00 74.53 C ATOM 942 CD1 ILE A 66 1.189 -1.904 6.835 1.00 50.22 C ATOM 0 H ILE A 66 2.380 0.212 9.723 1.00 13.42 H new ATOM 0 HA ILE A 66 -0.358 -0.049 10.285 1.00 45.45 H new ATOM 0 HB ILE A 66 1.505 -2.317 9.591 1.00 3.32 H new ATOM 0 HG12 ILE A 66 0.510 -0.097 7.772 1.00 12.02 H new ATOM 0 HG13 ILE A 66 2.176 -0.506 8.130 1.00 12.02 H new ATOM 0 HG21 ILE A 66 -0.470 -3.095 8.318 1.00 74.53 H new ATOM 0 HG22 ILE A 66 -0.843 -2.882 10.045 1.00 74.53 H new ATOM 0 HG23 ILE A 66 -1.379 -1.665 8.862 1.00 74.53 H new ATOM 0 HD11 ILE A 66 1.510 -1.388 5.930 1.00 50.22 H new ATOM 0 HD12 ILE A 66 1.878 -2.721 7.051 1.00 50.22 H new ATOM 0 HD13 ILE A 66 0.186 -2.305 6.688 1.00 50.22 H new ATOM 953 N ASN A 67 -0.553 -1.315 12.405 1.00 14.30 N ATOM 954 CA ASN A 67 -0.799 -1.994 13.651 1.00 51.02 C ATOM 955 C ASN A 67 -0.673 -3.498 13.459 1.00 25.50 C ATOM 956 O ASN A 67 -0.027 -4.146 14.283 1.00 54.44 O ATOM 957 CB ASN A 67 -2.206 -1.620 14.161 1.00 73.44 C ATOM 958 CG ASN A 67 -2.142 -1.094 15.582 1.00 13.12 C ATOM 959 OD1 ASN A 67 -1.575 -1.745 16.452 1.00 42.33 O ATOM 960 ND2 ASN A 67 -2.666 0.099 15.811 1.00 5.31 N ATOM 0 H ASN A 67 -1.385 -0.857 12.033 1.00 14.30 H new ATOM 0 HA ASN A 67 -0.061 -1.686 14.392 1.00 51.02 H new ATOM 0 HB2 ASN A 67 -2.645 -0.865 13.509 1.00 73.44 H new ATOM 0 HB3 ASN A 67 -2.856 -2.494 14.121 1.00 73.44 H new ATOM 0 HD21 ASN A 67 -2.607 0.512 16.742 1.00 5.31 H new ATOM 0 HD22 ASN A 67 -3.129 0.606 15.057 1.00 5.31 H new ATOM 966 N ALA A 68 -1.283 -4.080 12.419 1.00 31.21 N ATOM 967 CA ALA A 68 -1.610 -5.501 12.385 1.00 1.23 C ATOM 968 C ALA A 68 -2.100 -5.910 10.990 1.00 5.04 C ATOM 969 O ALA A 68 -2.295 -5.072 10.108 1.00 64.43 O ATOM 970 CB ALA A 68 -2.695 -5.787 13.436 1.00 54.02 C ATOM 0 H ALA A 68 -1.562 -3.573 11.579 1.00 31.21 H new ATOM 0 HA ALA A 68 -0.716 -6.083 12.611 1.00 1.23 H new ATOM 0 HB1 ALA A 68 -2.947 -6.847 13.419 1.00 54.02 H new ATOM 0 HB2 ALA A 68 -2.324 -5.518 14.425 1.00 54.02 H new ATOM 0 HB3 ALA A 68 -3.584 -5.199 13.210 1.00 54.02 H new ATOM 976 N ILE A 69 -2.329 -7.212 10.815 1.00 23.50 N ATOM 977 CA ILE A 69 -2.723 -7.881 9.575 1.00 71.13 C ATOM 978 C ILE A 69 -3.911 -8.787 9.925 1.00 53.03 C ATOM 979 O ILE A 69 -3.913 -9.407 10.997 1.00 52.31 O ATOM 980 CB ILE A 69 -1.555 -8.724 9.004 1.00 73.55 C ATOM 981 CG1 ILE A 69 -0.206 -7.974 8.982 1.00 31.40 C ATOM 982 CG2 ILE A 69 -1.891 -9.260 7.604 1.00 51.32 C ATOM 983 CD1 ILE A 69 0.689 -8.256 10.196 1.00 45.23 C ATOM 0 H ILE A 69 -2.238 -7.871 11.588 1.00 23.50 H new ATOM 0 HA ILE A 69 -2.992 -7.150 8.812 1.00 71.13 H new ATOM 0 HB ILE A 69 -1.434 -9.562 9.690 1.00 73.55 H new ATOM 0 HG12 ILE A 69 0.334 -8.247 8.075 1.00 31.40 H new ATOM 0 HG13 ILE A 69 -0.399 -6.903 8.928 1.00 31.40 H new ATOM 0 HG21 ILE A 69 -1.053 -9.848 7.229 1.00 51.32 H new ATOM 0 HG22 ILE A 69 -2.780 -9.889 7.659 1.00 51.32 H new ATOM 0 HG23 ILE A 69 -2.079 -8.424 6.930 1.00 51.32 H new ATOM 0 HD11 ILE A 69 1.617 -7.691 10.103 1.00 45.23 H new ATOM 0 HD12 ILE A 69 0.171 -7.956 11.107 1.00 45.23 H new ATOM 0 HD13 ILE A 69 0.916 -9.321 10.241 1.00 45.23 H new ATOM 994 N THR A 70 -4.875 -8.927 9.008 1.00 51.34 N ATOM 995 CA THR A 70 -6.081 -9.713 9.248 1.00 3.25 C ATOM 996 C THR A 70 -6.562 -10.212 7.891 1.00 61.51 C ATOM 997 O THR A 70 -7.024 -9.404 7.083 1.00 65.10 O ATOM 998 CB THR A 70 -7.158 -8.823 9.892 1.00 22.31 C ATOM 999 OG1 THR A 70 -6.677 -8.090 10.994 1.00 23.32 O ATOM 1000 CG2 THR A 70 -8.459 -9.521 10.275 1.00 42.11 C ATOM 0 H THR A 70 -4.837 -8.499 8.083 1.00 51.34 H new ATOM 0 HA THR A 70 -5.881 -10.547 9.920 1.00 3.25 H new ATOM 0 HB THR A 70 -7.407 -8.141 9.079 1.00 22.31 H new ATOM 0 HG1 THR A 70 -7.401 -7.542 11.363 1.00 23.32 H new ATOM 0 HG21 THR A 70 -9.143 -8.798 10.719 1.00 42.11 H new ATOM 0 HG22 THR A 70 -8.916 -9.953 9.385 1.00 42.11 H new ATOM 0 HG23 THR A 70 -8.249 -10.312 10.995 1.00 42.11 H new ATOM 1008 N PRO A 71 -6.434 -11.511 7.601 1.00 33.14 N ATOM 1009 CA PRO A 71 -6.949 -12.087 6.373 1.00 41.32 C ATOM 1010 C PRO A 71 -8.475 -12.038 6.424 1.00 23.51 C ATOM 1011 O PRO A 71 -9.076 -12.155 7.498 1.00 61.24 O ATOM 1012 CB PRO A 71 -6.368 -13.506 6.325 1.00 50.14 C ATOM 1013 CG PRO A 71 -6.145 -13.851 7.801 1.00 73.40 C ATOM 1014 CD PRO A 71 -5.876 -12.523 8.474 1.00 42.04 C ATOM 0 HA PRO A 71 -6.665 -11.556 5.464 1.00 41.32 H new ATOM 0 HB2 PRO A 71 -7.055 -14.205 5.849 1.00 50.14 H new ATOM 0 HB3 PRO A 71 -5.437 -13.540 5.760 1.00 50.14 H new ATOM 0 HG2 PRO A 71 -7.020 -14.341 8.229 1.00 73.40 H new ATOM 0 HG3 PRO A 71 -5.305 -14.534 7.925 1.00 73.40 H new ATOM 0 HD2 PRO A 71 -6.338 -12.485 9.460 1.00 42.04 H new ATOM 0 HD3 PRO A 71 -4.807 -12.368 8.617 1.00 42.04 H new ATOM 1019 N VAL A 72 -9.098 -11.849 5.266 1.00 71.32 N ATOM 1020 CA VAL A 72 -10.535 -11.669 5.124 1.00 43.50 C ATOM 1021 C VAL A 72 -11.017 -12.717 4.134 1.00 12.42 C ATOM 1022 O VAL A 72 -10.622 -12.721 2.959 1.00 3.33 O ATOM 1023 CB VAL A 72 -10.889 -10.240 4.685 1.00 25.24 C ATOM 1024 CG1 VAL A 72 -12.362 -9.975 5.019 1.00 65.03 C ATOM 1025 CG2 VAL A 72 -10.018 -9.191 5.384 1.00 72.42 C ATOM 0 H VAL A 72 -8.601 -11.816 4.376 1.00 71.32 H new ATOM 0 HA VAL A 72 -11.037 -11.803 6.082 1.00 43.50 H new ATOM 0 HB VAL A 72 -10.708 -10.159 3.613 1.00 25.24 H new ATOM 0 HG11 VAL A 72 -12.628 -8.963 4.713 1.00 65.03 H new ATOM 0 HG12 VAL A 72 -12.990 -10.691 4.489 1.00 65.03 H new ATOM 0 HG13 VAL A 72 -12.516 -10.082 6.093 1.00 65.03 H new ATOM 0 HG21 VAL A 72 -10.303 -8.196 5.043 1.00 72.42 H new ATOM 0 HG22 VAL A 72 -10.160 -9.260 6.462 1.00 72.42 H new ATOM 0 HG23 VAL A 72 -8.970 -9.370 5.144 1.00 72.42 H new ATOM 1035 N GLY A 73 -11.813 -13.660 4.626 1.00 21.33 N ATOM 1036 CA GLY A 73 -12.228 -14.832 3.887 1.00 41.23 C ATOM 1037 C GLY A 73 -11.080 -15.820 3.842 1.00 31.32 C ATOM 1038 O GLY A 73 -11.087 -16.834 4.541 1.00 71.02 O ATOM 0 H GLY A 73 -12.193 -13.624 5.572 1.00 21.33 H new ATOM 0 HA2 GLY A 73 -13.098 -15.287 4.361 1.00 41.23 H new ATOM 0 HA3 GLY A 73 -12.525 -14.554 2.876 1.00 41.23 H new ATOM 1042 N ASN A 74 -10.103 -15.484 3.011 1.00 63.41 N ATOM 1043 CA ASN A 74 -8.884 -16.205 2.652 1.00 45.12 C ATOM 1044 C ASN A 74 -8.141 -15.450 1.533 1.00 32.54 C ATOM 1045 O ASN A 74 -6.997 -15.785 1.229 1.00 50.43 O ATOM 1046 CB ASN A 74 -9.183 -17.661 2.228 1.00 64.44 C ATOM 1047 CG ASN A 74 -10.375 -17.838 1.291 1.00 31.32 C ATOM 1048 OD1 ASN A 74 -10.719 -16.959 0.509 1.00 34.14 O ATOM 1049 ND2 ASN A 74 -11.100 -18.938 1.393 1.00 3.13 N ATOM 0 H ASN A 74 -10.149 -14.595 2.513 1.00 63.41 H new ATOM 0 HA ASN A 74 -8.246 -16.254 3.535 1.00 45.12 H new ATOM 0 HB2 ASN A 74 -8.297 -18.069 1.742 1.00 64.44 H new ATOM 0 HB3 ASN A 74 -9.357 -18.255 3.126 1.00 64.44 H new ATOM 0 HD21 ASN A 74 -11.939 -19.051 0.823 1.00 3.13 H new ATOM 0 HD22 ASN A 74 -10.821 -19.674 2.041 1.00 3.13 H new ATOM 1055 N TYR A 75 -8.755 -14.430 0.919 1.00 10.44 N ATOM 1056 CA TYR A 75 -8.349 -13.911 -0.394 1.00 50.12 C ATOM 1057 C TYR A 75 -8.011 -12.413 -0.399 1.00 44.43 C ATOM 1058 O TYR A 75 -7.683 -11.845 -1.443 1.00 12.04 O ATOM 1059 CB TYR A 75 -9.443 -14.238 -1.426 1.00 1.31 C ATOM 1060 CG TYR A 75 -10.700 -13.399 -1.258 1.00 23.24 C ATOM 1061 CD1 TYR A 75 -11.582 -13.634 -0.184 1.00 53.54 C ATOM 1062 CD2 TYR A 75 -10.952 -12.335 -2.144 1.00 63.54 C ATOM 1063 CE1 TYR A 75 -12.682 -12.787 0.034 1.00 30.25 C ATOM 1064 CE2 TYR A 75 -12.081 -11.519 -1.971 1.00 12.25 C ATOM 1065 CZ TYR A 75 -12.944 -11.734 -0.873 1.00 64.34 C ATOM 1066 OH TYR A 75 -13.963 -10.861 -0.644 1.00 13.12 O ATOM 0 H TYR A 75 -9.553 -13.938 1.322 1.00 10.44 H new ATOM 0 HA TYR A 75 -7.417 -14.409 -0.661 1.00 50.12 H new ATOM 0 HB2 TYR A 75 -9.044 -14.085 -2.429 1.00 1.31 H new ATOM 0 HB3 TYR A 75 -9.705 -15.293 -1.345 1.00 1.31 H new ATOM 0 HD1 TYR A 75 -11.411 -14.471 0.476 1.00 53.54 H new ATOM 0 HD2 TYR A 75 -10.273 -12.145 -2.962 1.00 63.54 H new ATOM 0 HE1 TYR A 75 -13.324 -12.939 0.889 1.00 30.25 H new ATOM 0 HE2 TYR A 75 -12.290 -10.728 -2.676 1.00 12.25 H new ATOM 0 HH TYR A 75 -13.998 -10.201 -1.368 1.00 13.12 H new ATOM 1075 N ALA A 76 -8.071 -11.761 0.758 1.00 43.00 N ATOM 1076 CA ALA A 76 -7.617 -10.397 0.956 1.00 64.51 C ATOM 1077 C ALA A 76 -7.054 -10.279 2.365 1.00 54.13 C ATOM 1078 O ALA A 76 -7.269 -11.167 3.196 1.00 4.32 O ATOM 1079 CB ALA A 76 -8.810 -9.446 0.806 1.00 70.20 C ATOM 0 H ALA A 76 -8.449 -12.184 1.606 1.00 43.00 H new ATOM 0 HA ALA A 76 -6.852 -10.140 0.223 1.00 64.51 H new ATOM 0 HB1 ALA A 76 -8.477 -8.419 0.953 1.00 70.20 H new ATOM 0 HB2 ALA A 76 -9.235 -9.550 -0.192 1.00 70.20 H new ATOM 0 HB3 ALA A 76 -9.567 -9.692 1.550 1.00 70.20 H new ATOM 1085 N VAL A 77 -6.441 -9.138 2.657 1.00 33.43 N ATOM 1086 CA VAL A 77 -6.068 -8.757 4.001 1.00 73.53 C ATOM 1087 C VAL A 77 -6.491 -7.340 4.275 1.00 74.54 C ATOM 1088 O VAL A 77 -6.753 -6.541 3.378 1.00 62.30 O ATOM 1089 CB VAL A 77 -4.559 -8.975 4.206 1.00 74.11 C ATOM 1090 CG1 VAL A 77 -3.646 -7.940 3.552 1.00 50.04 C ATOM 1091 CG2 VAL A 77 -4.167 -9.499 5.545 1.00 45.43 C ATOM 0 H VAL A 77 -6.188 -8.446 1.952 1.00 33.43 H new ATOM 0 HA VAL A 77 -6.587 -9.388 4.723 1.00 73.53 H new ATOM 0 HB VAL A 77 -4.337 -9.841 3.582 1.00 74.11 H new ATOM 0 HG11 VAL A 77 -2.606 -8.190 3.760 1.00 50.04 H new ATOM 0 HG12 VAL A 77 -3.811 -7.939 2.475 1.00 50.04 H new ATOM 0 HG13 VAL A 77 -3.869 -6.952 3.954 1.00 50.04 H new ATOM 0 HG21 VAL A 77 -3.084 -9.617 5.587 1.00 45.43 H new ATOM 0 HG22 VAL A 77 -4.486 -8.799 6.317 1.00 45.43 H new ATOM 0 HG23 VAL A 77 -4.644 -10.465 5.712 1.00 45.43 H new ATOM 1101 N LYS A 78 -6.543 -7.056 5.557 1.00 51.01 N ATOM 1102 CA LYS A 78 -6.656 -5.745 6.128 1.00 64.13 C ATOM 1103 C LYS A 78 -5.335 -5.434 6.792 1.00 10.25 C ATOM 1104 O LYS A 78 -4.783 -6.307 7.465 1.00 73.22 O ATOM 1105 CB LYS A 78 -7.749 -5.813 7.171 1.00 31.24 C ATOM 1106 CG LYS A 78 -9.117 -5.666 6.535 1.00 63.40 C ATOM 1107 CD LYS A 78 -10.224 -5.728 7.592 1.00 53.13 C ATOM 1108 CE LYS A 78 -10.618 -7.162 7.912 1.00 74.10 C ATOM 1109 NZ LYS A 78 -11.388 -7.219 9.166 1.00 43.12 N ATOM 0 H LYS A 78 -6.505 -7.786 6.269 1.00 51.01 H new ATOM 0 HA LYS A 78 -6.890 -4.981 5.386 1.00 64.13 H new ATOM 0 HB2 LYS A 78 -7.691 -6.763 7.702 1.00 31.24 H new ATOM 0 HB3 LYS A 78 -7.601 -5.025 7.910 1.00 31.24 H new ATOM 0 HG2 LYS A 78 -9.173 -4.718 6.000 1.00 63.40 H new ATOM 0 HG3 LYS A 78 -9.267 -6.457 5.800 1.00 63.40 H new ATOM 0 HD2 LYS A 78 -9.886 -5.232 8.502 1.00 53.13 H new ATOM 0 HD3 LYS A 78 -11.097 -5.181 7.236 1.00 53.13 H new ATOM 0 HE2 LYS A 78 -11.211 -7.573 7.095 1.00 74.10 H new ATOM 0 HE3 LYS A 78 -9.724 -7.780 7.999 1.00 74.10 H new ATOM 0 HZ1 LYS A 78 -11.649 -8.205 9.369 1.00 43.12 H new ATOM 0 HZ2 LYS A 78 -10.810 -6.846 9.946 1.00 43.12 H new ATOM 0 HZ3 LYS A 78 -12.250 -6.646 9.070 1.00 43.12 H new ATOM 1119 N LEU A 79 -4.857 -4.210 6.606 1.00 11.41 N ATOM 1120 CA LEU A 79 -3.641 -3.677 7.197 1.00 63.23 C ATOM 1121 C LEU A 79 -4.142 -2.512 8.023 1.00 70.12 C ATOM 1122 O LEU A 79 -4.593 -1.503 7.480 1.00 30.40 O ATOM 1123 CB LEU A 79 -2.621 -3.271 6.113 1.00 10.43 C ATOM 1124 CG LEU A 79 -1.608 -4.384 5.769 1.00 30.43 C ATOM 1125 CD1 LEU A 79 -2.276 -5.728 5.537 1.00 4.32 C ATOM 1126 CD2 LEU A 79 -0.711 -4.024 4.579 1.00 45.25 C ATOM 0 H LEU A 79 -5.331 -3.531 6.010 1.00 11.41 H new ATOM 0 HA LEU A 79 -3.094 -4.397 7.806 1.00 63.23 H new ATOM 0 HB2 LEU A 79 -3.159 -2.988 5.208 1.00 10.43 H new ATOM 0 HB3 LEU A 79 -2.078 -2.388 6.450 1.00 10.43 H new ATOM 0 HG LEU A 79 -0.971 -4.472 6.649 1.00 30.43 H new ATOM 0 HD11 LEU A 79 -1.518 -6.475 5.299 1.00 4.32 H new ATOM 0 HD12 LEU A 79 -2.811 -6.029 6.438 1.00 4.32 H new ATOM 0 HD13 LEU A 79 -2.979 -5.647 4.708 1.00 4.32 H new ATOM 0 HD21 LEU A 79 -0.019 -4.844 4.384 1.00 45.25 H new ATOM 0 HD22 LEU A 79 -1.328 -3.852 3.697 1.00 45.25 H new ATOM 0 HD23 LEU A 79 -0.147 -3.120 4.809 1.00 45.25 H new ATOM 1137 N VAL A 80 -4.208 -2.729 9.330 1.00 63.55 N ATOM 1138 CA VAL A 80 -4.804 -1.783 10.263 1.00 12.21 C ATOM 1139 C VAL A 80 -3.888 -0.575 10.395 1.00 52.11 C ATOM 1140 O VAL A 80 -2.728 -0.757 10.756 1.00 3.22 O ATOM 1141 CB VAL A 80 -5.077 -2.495 11.601 1.00 64.35 C ATOM 1142 CG1 VAL A 80 -5.545 -1.528 12.694 1.00 11.34 C ATOM 1143 CG2 VAL A 80 -6.143 -3.577 11.375 1.00 32.52 C ATOM 0 H VAL A 80 -3.847 -3.573 9.775 1.00 63.55 H new ATOM 0 HA VAL A 80 -5.764 -1.417 9.900 1.00 12.21 H new ATOM 0 HB VAL A 80 -4.142 -2.937 11.945 1.00 64.35 H new ATOM 0 HG11 VAL A 80 -5.724 -2.080 13.617 1.00 11.34 H new ATOM 0 HG12 VAL A 80 -4.777 -0.774 12.866 1.00 11.34 H new ATOM 0 HG13 VAL A 80 -6.468 -1.041 12.378 1.00 11.34 H new ATOM 0 HG21 VAL A 80 -6.346 -4.090 12.315 1.00 32.52 H new ATOM 0 HG22 VAL A 80 -7.059 -3.114 11.009 1.00 32.52 H new ATOM 0 HG23 VAL A 80 -5.781 -4.296 10.640 1.00 32.52 H new ATOM 1153 N PHE A 81 -4.374 0.638 10.096 1.00 4.44 N ATOM 1154 CA PHE A 81 -3.531 1.823 10.154 1.00 1.21 C ATOM 1155 C PHE A 81 -3.803 2.633 11.409 1.00 1.02 C ATOM 1156 O PHE A 81 -4.943 2.981 11.727 1.00 4.34 O ATOM 1157 CB PHE A 81 -3.660 2.702 8.903 1.00 33.31 C ATOM 1158 CG PHE A 81 -3.295 2.049 7.585 1.00 5.23 C ATOM 1159 CD1 PHE A 81 -2.262 1.093 7.509 1.00 42.43 C ATOM 1160 CD2 PHE A 81 -3.998 2.409 6.418 1.00 65.33 C ATOM 1161 CE1 PHE A 81 -1.971 0.468 6.289 1.00 1.31 C ATOM 1162 CE2 PHE A 81 -3.710 1.769 5.202 1.00 53.24 C ATOM 1163 CZ PHE A 81 -2.711 0.785 5.144 1.00 42.04 C ATOM 0 H PHE A 81 -5.338 0.816 9.815 1.00 4.44 H new ATOM 0 HA PHE A 81 -2.502 1.466 10.189 1.00 1.21 H new ATOM 0 HB2 PHE A 81 -4.689 3.055 8.837 1.00 33.31 H new ATOM 0 HB3 PHE A 81 -3.030 3.581 9.036 1.00 33.31 H new ATOM 0 HD1 PHE A 81 -1.694 0.842 8.392 1.00 42.43 H new ATOM 0 HD2 PHE A 81 -4.757 3.176 6.459 1.00 65.33 H new ATOM 0 HE1 PHE A 81 -1.175 -0.259 6.232 1.00 1.31 H new ATOM 0 HE2 PHE A 81 -4.258 2.034 4.310 1.00 53.24 H new ATOM 0 HZ PHE A 81 -2.513 0.272 4.215 1.00 42.04 H new ATOM 1172 N ASP A 82 -2.704 2.988 12.066 1.00 12.24 N ATOM 1173 CA ASP A 82 -2.636 3.879 13.212 1.00 70.22 C ATOM 1174 C ASP A 82 -3.204 5.270 12.926 1.00 31.50 C ATOM 1175 O ASP A 82 -3.635 5.942 13.860 1.00 5.20 O ATOM 1176 CB ASP A 82 -1.185 3.995 13.696 1.00 23.41 C ATOM 1177 CG ASP A 82 -0.195 4.699 12.758 1.00 12.21 C ATOM 1178 OD1 ASP A 82 -0.374 4.672 11.515 1.00 45.03 O ATOM 1179 OD2 ASP A 82 0.834 5.173 13.280 1.00 1.24 O ATOM 0 H ASP A 82 -1.785 2.639 11.795 1.00 12.24 H new ATOM 0 HA ASP A 82 -3.259 3.440 13.991 1.00 70.22 H new ATOM 0 HB2 ASP A 82 -1.186 4.526 14.648 1.00 23.41 H new ATOM 0 HB3 ASP A 82 -0.811 2.990 13.892 1.00 23.41 H new ATOM 1183 N ASP A 83 -3.247 5.707 11.667 1.00 62.12 N ATOM 1184 CA ASP A 83 -3.705 7.044 11.286 1.00 65.21 C ATOM 1185 C ASP A 83 -5.187 7.274 11.612 1.00 43.05 C ATOM 1186 O ASP A 83 -5.536 8.396 11.985 1.00 43.35 O ATOM 1187 CB ASP A 83 -3.426 7.290 9.801 1.00 44.41 C ATOM 1188 CG ASP A 83 -4.050 8.596 9.299 1.00 5.42 C ATOM 1189 OD1 ASP A 83 -5.216 8.560 8.853 1.00 64.44 O ATOM 1190 OD2 ASP A 83 -3.358 9.644 9.258 1.00 50.32 O ATOM 0 H ASP A 83 -2.961 5.135 10.872 1.00 62.12 H new ATOM 0 HA ASP A 83 -3.143 7.764 11.880 1.00 65.21 H new ATOM 0 HB2 ASP A 83 -2.349 7.318 9.636 1.00 44.41 H new ATOM 0 HB3 ASP A 83 -3.816 6.456 9.218 1.00 44.41 H new ATOM 1194 N GLY A 84 -6.038 6.237 11.568 1.00 62.34 N ATOM 1195 CA GLY A 84 -7.425 6.358 12.035 1.00 71.12 C ATOM 1196 C GLY A 84 -8.480 5.600 11.230 1.00 34.32 C ATOM 1197 O GLY A 84 -9.630 6.044 11.186 1.00 72.44 O ATOM 0 H GLY A 84 -5.791 5.312 11.216 1.00 62.34 H new ATOM 0 HA2 GLY A 84 -7.469 6.012 13.068 1.00 71.12 H new ATOM 0 HA3 GLY A 84 -7.693 7.415 12.041 1.00 71.12 H new ATOM 1201 N HIS A 85 -8.116 4.521 10.535 1.00 50.12 N ATOM 1202 CA HIS A 85 -9.039 3.659 9.790 1.00 10.14 C ATOM 1203 C HIS A 85 -8.298 2.337 9.600 1.00 61.04 C ATOM 1204 O HIS A 85 -7.077 2.355 9.403 1.00 31.51 O ATOM 1205 CB HIS A 85 -9.416 4.292 8.436 1.00 32.00 C ATOM 1206 CG HIS A 85 -10.863 4.122 8.052 1.00 44.15 C ATOM 1207 ND1 HIS A 85 -11.478 2.984 7.603 1.00 4.15 N ATOM 1208 CD2 HIS A 85 -11.813 5.106 8.040 1.00 44.21 C ATOM 1209 CE1 HIS A 85 -12.759 3.294 7.352 1.00 22.11 C ATOM 1210 NE2 HIS A 85 -12.998 4.597 7.530 1.00 11.15 N ATOM 0 H HIS A 85 -7.146 4.213 10.472 1.00 50.12 H new ATOM 0 HA HIS A 85 -9.978 3.515 10.324 1.00 10.14 H new ATOM 0 HB2 HIS A 85 -9.184 5.356 8.469 1.00 32.00 H new ATOM 0 HB3 HIS A 85 -8.792 3.854 7.657 1.00 32.00 H new ATOM 0 HD2 HIS A 85 -11.664 6.122 8.376 1.00 44.21 H new ATOM 0 HE1 HIS A 85 -13.506 2.578 7.044 1.00 22.11 H new ATOM 0 HE2 HIS A 85 -13.861 5.105 7.334 1.00 11.15 H new ATOM 1217 N ASP A 86 -8.992 1.204 9.649 1.00 4.53 N ATOM 1218 CA ASP A 86 -8.429 0.012 10.273 1.00 4.13 C ATOM 1219 C ASP A 86 -8.778 -1.245 9.519 1.00 11.30 C ATOM 1220 O ASP A 86 -9.189 -2.263 10.071 1.00 34.03 O ATOM 1221 CB ASP A 86 -8.782 -0.030 11.778 1.00 34.31 C ATOM 1222 CG ASP A 86 -10.273 0.126 12.078 1.00 10.11 C ATOM 1223 OD1 ASP A 86 -11.084 -0.748 11.689 1.00 33.13 O ATOM 1224 OD2 ASP A 86 -10.659 1.163 12.660 1.00 24.01 O ATOM 0 H ASP A 86 -9.932 1.086 9.270 1.00 4.53 H new ATOM 0 HA ASP A 86 -7.342 0.069 10.215 1.00 4.13 H new ATOM 0 HB2 ASP A 86 -8.436 -0.976 12.194 1.00 34.31 H new ATOM 0 HB3 ASP A 86 -8.235 0.762 12.290 1.00 34.31 H new ATOM 1228 N THR A 87 -8.598 -1.157 8.210 1.00 54.53 N ATOM 1229 CA THR A 87 -9.103 -2.099 7.251 1.00 21.04 C ATOM 1230 C THR A 87 -8.432 -1.846 5.893 1.00 1.31 C ATOM 1231 O THR A 87 -7.497 -2.579 5.556 1.00 73.21 O ATOM 1232 CB THR A 87 -10.641 -2.030 7.325 1.00 34.31 C ATOM 1233 OG1 THR A 87 -11.157 -2.707 8.451 1.00 63.12 O ATOM 1234 CG2 THR A 87 -11.384 -2.516 6.113 1.00 50.41 C ATOM 0 H THR A 87 -8.074 -0.394 7.781 1.00 54.53 H new ATOM 0 HA THR A 87 -8.851 -3.140 7.454 1.00 21.04 H new ATOM 0 HB THR A 87 -10.815 -0.956 7.397 1.00 34.31 H new ATOM 0 HG1 THR A 87 -10.420 -2.965 9.043 1.00 63.12 H new ATOM 0 HG21 THR A 87 -12.457 -2.420 6.281 1.00 50.41 H new ATOM 0 HG22 THR A 87 -11.097 -1.920 5.247 1.00 50.41 H new ATOM 0 HG23 THR A 87 -11.138 -3.562 5.931 1.00 50.41 H new ATOM 1242 N GLY A 88 -8.883 -0.867 5.095 1.00 21.12 N ATOM 1243 CA GLY A 88 -8.484 -0.700 3.692 1.00 30.31 C ATOM 1244 C GLY A 88 -9.091 -1.791 2.795 1.00 52.13 C ATOM 1245 O GLY A 88 -9.893 -1.483 1.916 1.00 13.13 O ATOM 0 H GLY A 88 -9.545 -0.159 5.412 1.00 21.12 H new ATOM 0 HA2 GLY A 88 -8.801 0.281 3.338 1.00 30.31 H new ATOM 0 HA3 GLY A 88 -7.397 -0.730 3.617 1.00 30.31 H new ATOM 1249 N LEU A 89 -8.774 -3.052 3.102 1.00 64.31 N ATOM 1250 CA LEU A 89 -9.156 -4.319 2.510 1.00 45.24 C ATOM 1251 C LEU A 89 -8.564 -4.466 1.109 1.00 64.34 C ATOM 1252 O LEU A 89 -8.951 -3.772 0.174 1.00 2.25 O ATOM 1253 CB LEU A 89 -10.671 -4.488 2.559 1.00 22.45 C ATOM 1254 CG LEU A 89 -11.303 -5.873 2.761 1.00 14.12 C ATOM 1255 CD1 LEU A 89 -10.330 -7.014 2.563 1.00 71.03 C ATOM 1256 CD2 LEU A 89 -11.837 -5.988 4.181 1.00 1.24 C ATOM 0 H LEU A 89 -8.150 -3.220 3.891 1.00 64.31 H new ATOM 0 HA LEU A 89 -8.736 -5.137 3.095 1.00 45.24 H new ATOM 0 HB2 LEU A 89 -11.038 -3.849 3.362 1.00 22.45 H new ATOM 0 HB3 LEU A 89 -11.068 -4.088 1.626 1.00 22.45 H new ATOM 0 HG LEU A 89 -12.090 -5.953 2.011 1.00 14.12 H new ATOM 0 HD11 LEU A 89 -10.844 -7.962 2.721 1.00 71.03 H new ATOM 0 HD12 LEU A 89 -9.933 -6.981 1.549 1.00 71.03 H new ATOM 0 HD13 LEU A 89 -9.511 -6.922 3.276 1.00 71.03 H new ATOM 0 HD21 LEU A 89 -12.285 -6.971 4.323 1.00 1.24 H new ATOM 0 HD22 LEU A 89 -11.019 -5.857 4.889 1.00 1.24 H new ATOM 0 HD23 LEU A 89 -12.590 -5.218 4.350 1.00 1.24 H new ATOM 1267 N TYR A 90 -7.585 -5.356 0.985 1.00 2.34 N ATOM 1268 CA TYR A 90 -6.667 -5.453 -0.144 1.00 34.42 C ATOM 1269 C TYR A 90 -6.680 -6.883 -0.667 1.00 50.22 C ATOM 1270 O TYR A 90 -6.200 -7.793 0.013 1.00 72.40 O ATOM 1271 CB TYR A 90 -5.234 -5.119 0.291 1.00 54.21 C ATOM 1272 CG TYR A 90 -4.953 -3.697 0.731 1.00 53.32 C ATOM 1273 CD1 TYR A 90 -5.330 -3.268 2.020 1.00 2.05 C ATOM 1274 CD2 TYR A 90 -4.172 -2.856 -0.085 1.00 71.44 C ATOM 1275 CE1 TYR A 90 -4.932 -2.004 2.490 1.00 73.33 C ATOM 1276 CE2 TYR A 90 -3.744 -1.606 0.388 1.00 21.22 C ATOM 1277 CZ TYR A 90 -4.138 -1.172 1.669 1.00 22.44 C ATOM 1278 OH TYR A 90 -3.719 0.029 2.124 1.00 44.42 O ATOM 0 H TYR A 90 -7.402 -6.060 1.700 1.00 2.34 H new ATOM 0 HA TYR A 90 -6.985 -4.748 -0.912 1.00 34.42 H new ATOM 0 HB2 TYR A 90 -4.967 -5.785 1.112 1.00 54.21 H new ATOM 0 HB3 TYR A 90 -4.567 -5.353 -0.539 1.00 54.21 H new ATOM 0 HD1 TYR A 90 -5.927 -3.912 2.649 1.00 2.05 H new ATOM 0 HD2 TYR A 90 -3.901 -3.175 -1.081 1.00 71.44 H new ATOM 0 HE1 TYR A 90 -5.231 -1.671 3.473 1.00 73.33 H new ATOM 0 HE2 TYR A 90 -3.115 -0.979 -0.227 1.00 21.22 H new ATOM 0 HH TYR A 90 -3.409 0.574 1.371 1.00 44.42 H new ATOM 1287 N SER A 91 -7.227 -7.102 -1.861 1.00 21.51 N ATOM 1288 CA SER A 91 -7.059 -8.373 -2.559 1.00 4.32 C ATOM 1289 C SER A 91 -5.595 -8.598 -2.937 1.00 42.23 C ATOM 1290 O SER A 91 -4.858 -7.641 -3.163 1.00 74.32 O ATOM 1291 CB SER A 91 -8.029 -8.445 -3.739 1.00 12.41 C ATOM 1292 OG SER A 91 -9.354 -8.177 -3.288 1.00 2.02 O ATOM 0 H SER A 91 -7.790 -6.416 -2.364 1.00 21.51 H new ATOM 0 HA SER A 91 -7.314 -9.201 -1.897 1.00 4.32 H new ATOM 0 HB2 SER A 91 -7.742 -7.723 -4.503 1.00 12.41 H new ATOM 0 HB3 SER A 91 -7.984 -9.432 -4.200 1.00 12.41 H new ATOM 0 HG SER A 91 -9.973 -8.222 -4.046 1.00 2.02 H new ATOM 1297 N TRP A 92 -5.151 -9.855 -2.992 1.00 73.14 N ATOM 1298 CA TRP A 92 -3.741 -10.176 -3.179 1.00 22.21 C ATOM 1299 C TRP A 92 -3.171 -9.634 -4.506 1.00 72.32 C ATOM 1300 O TRP A 92 -1.978 -9.332 -4.587 1.00 41.43 O ATOM 1301 CB TRP A 92 -3.544 -11.690 -3.056 1.00 44.04 C ATOM 1302 CG TRP A 92 -4.027 -12.339 -1.791 1.00 74.44 C ATOM 1303 CD1 TRP A 92 -4.746 -13.484 -1.734 1.00 32.13 C ATOM 1304 CD2 TRP A 92 -3.814 -11.939 -0.401 1.00 33.41 C ATOM 1305 NE1 TRP A 92 -5.009 -13.808 -0.421 1.00 12.03 N ATOM 1306 CE2 TRP A 92 -4.483 -12.877 0.442 1.00 33.43 C ATOM 1307 CE3 TRP A 92 -3.113 -10.895 0.243 1.00 63.14 C ATOM 1308 CZ2 TRP A 92 -4.462 -12.783 1.840 1.00 65.33 C ATOM 1309 CZ3 TRP A 92 -3.006 -10.860 1.644 1.00 53.33 C ATOM 1310 CH2 TRP A 92 -3.641 -11.826 2.439 1.00 31.31 C ATOM 0 H TRP A 92 -5.756 -10.672 -2.909 1.00 73.14 H new ATOM 0 HA TRP A 92 -3.176 -9.674 -2.394 1.00 22.21 H new ATOM 0 HB2 TRP A 92 -4.049 -12.167 -3.896 1.00 44.04 H new ATOM 0 HB3 TRP A 92 -2.480 -11.903 -3.161 1.00 44.04 H new ATOM 0 HD1 TRP A 92 -5.066 -14.059 -2.591 1.00 32.13 H new ATOM 0 HE1 TRP A 92 -5.529 -14.635 -0.127 1.00 12.03 H new ATOM 0 HE3 TRP A 92 -2.655 -10.116 -0.347 1.00 63.14 H new ATOM 0 HZ2 TRP A 92 -5.071 -13.440 2.444 1.00 65.33 H new ATOM 0 HZ3 TRP A 92 -2.427 -10.079 2.115 1.00 53.33 H new ATOM 0 HH2 TRP A 92 -3.495 -11.829 3.509 1.00 31.31 H new ATOM 1320 N LYS A 93 -4.001 -9.454 -5.543 1.00 73.30 N ATOM 1321 CA LYS A 93 -3.573 -8.791 -6.782 1.00 1.44 C ATOM 1322 C LYS A 93 -3.147 -7.359 -6.527 1.00 45.30 C ATOM 1323 O LYS A 93 -2.211 -6.894 -7.175 1.00 35.52 O ATOM 1324 CB LYS A 93 -4.654 -8.793 -7.875 1.00 11.22 C ATOM 1325 CG LYS A 93 -4.020 -8.660 -9.286 1.00 4.05 C ATOM 1326 CD LYS A 93 -4.547 -7.497 -10.135 1.00 54.31 C ATOM 1327 CE LYS A 93 -4.044 -6.110 -9.704 1.00 54.22 C ATOM 1328 NZ LYS A 93 -4.455 -5.020 -10.624 1.00 62.20 N ATOM 0 H LYS A 93 -4.974 -9.759 -5.548 1.00 73.30 H new ATOM 0 HA LYS A 93 -2.725 -9.376 -7.139 1.00 1.44 H new ATOM 0 HB2 LYS A 93 -5.232 -9.715 -7.818 1.00 11.22 H new ATOM 0 HB3 LYS A 93 -5.349 -7.970 -7.706 1.00 11.22 H new ATOM 0 HG2 LYS A 93 -2.942 -8.546 -9.172 1.00 4.05 H new ATOM 0 HG3 LYS A 93 -4.186 -9.590 -9.830 1.00 4.05 H new ATOM 0 HD2 LYS A 93 -4.263 -7.665 -11.174 1.00 54.31 H new ATOM 0 HD3 LYS A 93 -5.636 -7.502 -10.097 1.00 54.31 H new ATOM 0 HE2 LYS A 93 -4.418 -5.891 -8.704 1.00 54.22 H new ATOM 0 HE3 LYS A 93 -2.956 -6.130 -9.640 1.00 54.22 H new ATOM 0 HZ1 LYS A 93 -4.084 -4.113 -10.276 1.00 62.20 H new ATOM 0 HZ2 LYS A 93 -4.077 -5.207 -11.575 1.00 62.20 H new ATOM 0 HZ3 LYS A 93 -5.493 -4.975 -10.667 1.00 62.20 H new ATOM 1338 N VAL A 94 -3.838 -6.669 -5.617 1.00 72.43 N ATOM 1339 CA VAL A 94 -3.613 -5.247 -5.397 1.00 54.42 C ATOM 1340 C VAL A 94 -2.139 -5.032 -5.043 1.00 70.30 C ATOM 1341 O VAL A 94 -1.431 -4.276 -5.705 1.00 21.32 O ATOM 1342 CB VAL A 94 -4.573 -4.735 -4.301 1.00 13.45 C ATOM 1343 CG1 VAL A 94 -4.365 -3.255 -4.016 1.00 32.22 C ATOM 1344 CG2 VAL A 94 -6.052 -4.944 -4.680 1.00 65.24 C ATOM 0 H VAL A 94 -4.559 -7.077 -5.022 1.00 72.43 H new ATOM 0 HA VAL A 94 -3.826 -4.672 -6.298 1.00 54.42 H new ATOM 0 HB VAL A 94 -4.340 -5.320 -3.412 1.00 13.45 H new ATOM 0 HG11 VAL A 94 -5.059 -2.933 -3.240 1.00 32.22 H new ATOM 0 HG12 VAL A 94 -3.342 -3.090 -3.679 1.00 32.22 H new ATOM 0 HG13 VAL A 94 -4.545 -2.681 -4.925 1.00 32.22 H new ATOM 0 HG21 VAL A 94 -6.689 -4.569 -3.879 1.00 65.24 H new ATOM 0 HG22 VAL A 94 -6.271 -4.404 -5.601 1.00 65.24 H new ATOM 0 HG23 VAL A 94 -6.243 -6.007 -4.828 1.00 65.24 H new ATOM 1354 N LEU A 95 -1.661 -5.721 -4.004 1.00 52.12 N ATOM 1355 CA LEU A 95 -0.334 -5.459 -3.454 1.00 10.25 C ATOM 1356 C LEU A 95 0.773 -5.838 -4.434 1.00 24.54 C ATOM 1357 O LEU A 95 1.829 -5.217 -4.397 1.00 2.32 O ATOM 1358 CB LEU A 95 -0.136 -6.202 -2.127 1.00 2.34 C ATOM 1359 CG LEU A 95 -1.203 -5.912 -1.053 1.00 65.14 C ATOM 1360 CD1 LEU A 95 -1.080 -6.880 0.129 1.00 54.10 C ATOM 1361 CD2 LEU A 95 -1.104 -4.466 -0.562 1.00 70.12 C ATOM 0 H LEU A 95 -2.174 -6.463 -3.529 1.00 52.12 H new ATOM 0 HA LEU A 95 -0.270 -4.386 -3.273 1.00 10.25 H new ATOM 0 HB2 LEU A 95 -0.124 -7.274 -2.326 1.00 2.34 H new ATOM 0 HB3 LEU A 95 0.843 -5.942 -1.725 1.00 2.34 H new ATOM 0 HG LEU A 95 -2.180 -6.058 -1.514 1.00 65.14 H new ATOM 0 HD11 LEU A 95 -1.846 -6.650 0.869 1.00 54.10 H new ATOM 0 HD12 LEU A 95 -1.212 -7.903 -0.223 1.00 54.10 H new ATOM 0 HD13 LEU A 95 -0.094 -6.777 0.583 1.00 54.10 H new ATOM 0 HD21 LEU A 95 -1.867 -4.286 0.195 1.00 70.12 H new ATOM 0 HD22 LEU A 95 -0.118 -4.295 -0.131 1.00 70.12 H new ATOM 0 HD23 LEU A 95 -1.257 -3.786 -1.400 1.00 70.12 H new ATOM 1372 N TYR A 96 0.547 -6.834 -5.296 1.00 54.04 N ATOM 1373 CA TYR A 96 1.494 -7.258 -6.328 1.00 40.20 C ATOM 1374 C TYR A 96 1.741 -6.097 -7.291 1.00 42.43 C ATOM 1375 O TYR A 96 2.878 -5.700 -7.541 1.00 54.44 O ATOM 1376 CB TYR A 96 0.928 -8.509 -7.037 1.00 63.34 C ATOM 1377 CG TYR A 96 1.914 -9.452 -7.719 1.00 1.32 C ATOM 1378 CD1 TYR A 96 3.173 -9.016 -8.191 1.00 20.51 C ATOM 1379 CD2 TYR A 96 1.562 -10.813 -7.846 1.00 11.11 C ATOM 1380 CE1 TYR A 96 4.059 -9.926 -8.791 1.00 4.04 C ATOM 1381 CE2 TYR A 96 2.442 -11.723 -8.452 1.00 72.33 C ATOM 1382 CZ TYR A 96 3.677 -11.269 -8.960 1.00 41.01 C ATOM 1383 OH TYR A 96 4.527 -12.149 -9.547 1.00 41.13 O ATOM 0 H TYR A 96 -0.316 -7.378 -5.295 1.00 54.04 H new ATOM 0 HA TYR A 96 2.457 -7.529 -5.894 1.00 40.20 H new ATOM 0 HB2 TYR A 96 0.369 -9.086 -6.301 1.00 63.34 H new ATOM 0 HB3 TYR A 96 0.213 -8.173 -7.788 1.00 63.34 H new ATOM 0 HD1 TYR A 96 3.455 -7.978 -8.090 1.00 20.51 H new ATOM 0 HD2 TYR A 96 0.608 -11.157 -7.474 1.00 11.11 H new ATOM 0 HE1 TYR A 96 5.032 -9.595 -9.122 1.00 4.04 H new ATOM 0 HE2 TYR A 96 2.175 -12.767 -8.529 1.00 72.33 H new ATOM 0 HH TYR A 96 4.107 -13.034 -9.584 1.00 41.13 H new ATOM 1392 N ASP A 97 0.658 -5.514 -7.793 1.00 14.32 N ATOM 1393 CA ASP A 97 0.706 -4.461 -8.796 1.00 15.11 C ATOM 1394 C ASP A 97 1.352 -3.199 -8.240 1.00 0.42 C ATOM 1395 O ASP A 97 2.128 -2.546 -8.932 1.00 60.43 O ATOM 1396 CB ASP A 97 -0.739 -4.188 -9.234 1.00 40.21 C ATOM 1397 CG ASP A 97 -0.860 -3.552 -10.611 1.00 73.11 C ATOM 1398 OD1 ASP A 97 -0.095 -3.931 -11.529 1.00 15.11 O ATOM 1399 OD2 ASP A 97 -1.843 -2.803 -10.821 1.00 35.32 O ATOM 0 H ASP A 97 -0.289 -5.764 -7.510 1.00 14.32 H new ATOM 0 HA ASP A 97 1.314 -4.773 -9.645 1.00 15.11 H new ATOM 0 HB2 ASP A 97 -1.293 -5.127 -9.229 1.00 40.21 H new ATOM 0 HB3 ASP A 97 -1.213 -3.535 -8.501 1.00 40.21 H new ATOM 1403 N LEU A 98 1.100 -2.872 -6.971 1.00 32.13 N ATOM 1404 CA LEU A 98 1.776 -1.793 -6.283 1.00 4.04 C ATOM 1405 C LEU A 98 3.268 -2.115 -6.172 1.00 75.20 C ATOM 1406 O LEU A 98 4.077 -1.272 -6.542 1.00 15.23 O ATOM 1407 CB LEU A 98 1.091 -1.562 -4.922 1.00 32.32 C ATOM 1408 CG LEU A 98 -0.394 -1.154 -5.038 1.00 41.43 C ATOM 1409 CD1 LEU A 98 -1.098 -1.152 -3.680 1.00 61.11 C ATOM 1410 CD2 LEU A 98 -0.557 0.212 -5.683 1.00 12.32 C ATOM 0 H LEU A 98 0.413 -3.359 -6.395 1.00 32.13 H new ATOM 0 HA LEU A 98 1.703 -0.859 -6.840 1.00 4.04 H new ATOM 0 HB2 LEU A 98 1.163 -2.474 -4.329 1.00 32.32 H new ATOM 0 HB3 LEU A 98 1.631 -0.786 -4.380 1.00 32.32 H new ATOM 0 HG LEU A 98 -0.860 -1.906 -5.675 1.00 41.43 H new ATOM 0 HD11 LEU A 98 -2.140 -0.859 -3.811 1.00 61.11 H new ATOM 0 HD12 LEU A 98 -1.054 -2.151 -3.246 1.00 61.11 H new ATOM 0 HD13 LEU A 98 -0.603 -0.445 -3.015 1.00 61.11 H new ATOM 0 HD21 LEU A 98 -1.616 0.461 -5.746 1.00 12.32 H new ATOM 0 HD22 LEU A 98 -0.043 0.962 -5.082 1.00 12.32 H new ATOM 0 HD23 LEU A 98 -0.129 0.195 -6.685 1.00 12.32 H new ATOM 1421 N ALA A 99 3.631 -3.329 -5.732 1.00 31.42 N ATOM 1422 CA ALA A 99 5.020 -3.769 -5.536 1.00 43.21 C ATOM 1423 C ALA A 99 5.869 -3.479 -6.767 1.00 73.11 C ATOM 1424 O ALA A 99 6.920 -2.848 -6.659 1.00 24.41 O ATOM 1425 CB ALA A 99 5.136 -5.276 -5.211 1.00 35.11 C ATOM 0 H ALA A 99 2.949 -4.050 -5.497 1.00 31.42 H new ATOM 0 HA ALA A 99 5.386 -3.201 -4.680 1.00 43.21 H new ATOM 0 HB1 ALA A 99 6.185 -5.540 -5.077 1.00 35.11 H new ATOM 0 HB2 ALA A 99 4.588 -5.494 -4.295 1.00 35.11 H new ATOM 0 HB3 ALA A 99 4.717 -5.858 -6.032 1.00 35.11 H new ATOM 1431 N SER A 100 5.403 -3.986 -7.907 1.00 63.30 N ATOM 1432 CA SER A 100 6.126 -4.039 -9.159 1.00 31.31 C ATOM 1433 C SER A 100 6.314 -2.677 -9.823 1.00 73.40 C ATOM 1434 O SER A 100 7.153 -2.570 -10.720 1.00 4.43 O ATOM 1435 CB SER A 100 5.332 -4.966 -10.074 1.00 14.13 C ATOM 1436 OG SER A 100 5.527 -6.311 -9.679 1.00 23.11 O ATOM 0 H SER A 100 4.468 -4.387 -7.977 1.00 63.30 H new ATOM 0 HA SER A 100 7.136 -4.401 -8.968 1.00 31.31 H new ATOM 0 HB2 SER A 100 4.272 -4.715 -10.031 1.00 14.13 H new ATOM 0 HB3 SER A 100 5.650 -4.831 -11.108 1.00 14.13 H new ATOM 0 HG SER A 100 5.014 -6.903 -10.268 1.00 23.11 H new ATOM 1441 N ASN A 101 5.548 -1.658 -9.432 1.00 1.35 N ATOM 1442 CA ASN A 101 5.525 -0.345 -10.086 1.00 61.51 C ATOM 1443 C ASN A 101 5.684 0.784 -9.056 1.00 13.22 C ATOM 1444 O ASN A 101 5.195 1.891 -9.280 1.00 72.42 O ATOM 1445 CB ASN A 101 4.214 -0.162 -10.881 1.00 51.10 C ATOM 1446 CG ASN A 101 3.882 -1.271 -11.868 1.00 31.51 C ATOM 1447 OD1 ASN A 101 4.153 -1.211 -13.065 1.00 14.43 O ATOM 1448 ND2 ASN A 101 3.237 -2.330 -11.416 1.00 4.23 N ATOM 0 H ASN A 101 4.913 -1.721 -8.636 1.00 1.35 H new ATOM 0 HA ASN A 101 6.365 -0.297 -10.778 1.00 61.51 H new ATOM 0 HB2 ASN A 101 3.390 -0.072 -10.173 1.00 51.10 H new ATOM 0 HB3 ASN A 101 4.270 0.780 -11.426 1.00 51.10 H new ATOM 0 HD21 ASN A 101 2.973 -3.079 -12.057 1.00 4.23 H new ATOM 0 HD22 ASN A 101 3.002 -2.400 -10.426 1.00 4.23 H new ATOM 1454 N GLN A 102 6.293 0.527 -7.892 1.00 61.51 N ATOM 1455 CA GLN A 102 6.086 1.369 -6.718 1.00 41.13 C ATOM 1456 C GLN A 102 6.757 2.724 -6.908 1.00 43.01 C ATOM 1457 O GLN A 102 6.278 3.728 -6.392 1.00 75.34 O ATOM 1458 CB GLN A 102 6.533 0.676 -5.414 1.00 53.11 C ATOM 1459 CG GLN A 102 7.970 0.138 -5.347 1.00 72.11 C ATOM 1460 CD GLN A 102 8.191 -0.558 -4.005 1.00 3.22 C ATOM 1461 OE1 GLN A 102 8.611 0.064 -3.029 1.00 42.33 O ATOM 1462 NE2 GLN A 102 7.863 -1.834 -3.883 1.00 55.22 N ATOM 0 H GLN A 102 6.930 -0.255 -7.743 1.00 61.51 H new ATOM 0 HA GLN A 102 5.014 1.537 -6.615 1.00 41.13 H new ATOM 0 HB2 GLN A 102 6.402 1.384 -4.596 1.00 53.11 H new ATOM 0 HB3 GLN A 102 5.854 -0.156 -5.227 1.00 53.11 H new ATOM 0 HG2 GLN A 102 8.147 -0.561 -6.165 1.00 72.11 H new ATOM 0 HG3 GLN A 102 8.682 0.955 -5.467 1.00 72.11 H new ATOM 0 HE21 GLN A 102 7.515 -2.351 -4.691 1.00 55.22 H new ATOM 0 HE22 GLN A 102 7.958 -2.301 -2.981 1.00 55.22 H new ATOM 1469 N VAL A 103 7.851 2.752 -7.665 1.00 14.23 N ATOM 1470 CA VAL A 103 8.618 3.949 -7.936 1.00 44.04 C ATOM 1471 C VAL A 103 7.814 4.885 -8.829 1.00 13.10 C ATOM 1472 O VAL A 103 7.720 6.072 -8.522 1.00 61.21 O ATOM 1473 CB VAL A 103 9.958 3.556 -8.587 1.00 22.34 C ATOM 1474 CG1 VAL A 103 10.909 4.743 -8.567 1.00 4.03 C ATOM 1475 CG2 VAL A 103 10.653 2.403 -7.855 1.00 33.22 C ATOM 0 H VAL A 103 8.232 1.919 -8.114 1.00 14.23 H new ATOM 0 HA VAL A 103 8.831 4.478 -7.007 1.00 44.04 H new ATOM 0 HB VAL A 103 9.725 3.241 -9.604 1.00 22.34 H new ATOM 0 HG11 VAL A 103 11.855 4.459 -9.029 1.00 4.03 H new ATOM 0 HG12 VAL A 103 10.469 5.571 -9.122 1.00 4.03 H new ATOM 0 HG13 VAL A 103 11.086 5.050 -7.536 1.00 4.03 H new ATOM 0 HG21 VAL A 103 11.592 2.167 -8.356 1.00 33.22 H new ATOM 0 HG22 VAL A 103 10.855 2.695 -6.825 1.00 33.22 H new ATOM 0 HG23 VAL A 103 10.007 1.525 -7.863 1.00 33.22 H new ATOM 1485 N ASP A 104 7.256 4.369 -9.930 1.00 61.23 N ATOM 1486 CA ASP A 104 6.519 5.199 -10.875 1.00 14.23 C ATOM 1487 C ASP A 104 5.256 5.740 -10.221 1.00 41.45 C ATOM 1488 O ASP A 104 4.981 6.940 -10.260 1.00 23.30 O ATOM 1489 CB ASP A 104 6.113 4.428 -12.135 1.00 22.42 C ATOM 1490 CG ASP A 104 5.279 5.360 -13.013 1.00 34.45 C ATOM 1491 OD1 ASP A 104 5.897 6.226 -13.674 1.00 23.24 O ATOM 1492 OD2 ASP A 104 4.035 5.292 -12.988 1.00 53.40 O ATOM 0 H ASP A 104 7.303 3.382 -10.184 1.00 61.23 H new ATOM 0 HA ASP A 104 7.186 6.011 -11.164 1.00 14.23 H new ATOM 0 HB2 ASP A 104 6.997 4.087 -12.674 1.00 22.42 H new ATOM 0 HB3 ASP A 104 5.539 3.540 -11.870 1.00 22.42 H new ATOM 1496 N LEU A 105 4.502 4.836 -9.596 1.00 51.01 N ATOM 1497 CA LEU A 105 3.214 5.177 -9.028 1.00 61.22 C ATOM 1498 C LEU A 105 3.379 6.165 -7.872 1.00 24.53 C ATOM 1499 O LEU A 105 2.489 6.990 -7.677 1.00 70.53 O ATOM 1500 CB LEU A 105 2.480 3.903 -8.591 1.00 1.31 C ATOM 1501 CG LEU A 105 2.097 2.945 -9.740 1.00 1.13 C ATOM 1502 CD1 LEU A 105 1.453 1.680 -9.155 1.00 23.44 C ATOM 1503 CD2 LEU A 105 1.143 3.554 -10.773 1.00 52.31 C ATOM 0 H LEU A 105 4.770 3.859 -9.474 1.00 51.01 H new ATOM 0 HA LEU A 105 2.607 5.669 -9.788 1.00 61.22 H new ATOM 0 HB2 LEU A 105 3.109 3.364 -7.883 1.00 1.31 H new ATOM 0 HB3 LEU A 105 1.573 4.189 -8.058 1.00 1.31 H new ATOM 0 HG LEU A 105 3.024 2.719 -10.267 1.00 1.13 H new ATOM 0 HD11 LEU A 105 1.182 1.002 -9.964 1.00 23.44 H new ATOM 0 HD12 LEU A 105 2.161 1.186 -8.490 1.00 23.44 H new ATOM 0 HD13 LEU A 105 0.558 1.953 -8.595 1.00 23.44 H new ATOM 0 HD21 LEU A 105 0.924 2.817 -11.545 1.00 52.31 H new ATOM 0 HD22 LEU A 105 0.216 3.851 -10.282 1.00 52.31 H new ATOM 0 HD23 LEU A 105 1.609 4.428 -11.228 1.00 52.31 H new ATOM 1514 N TRP A 106 4.501 6.110 -7.140 1.00 53.05 N ATOM 1515 CA TRP A 106 4.881 7.117 -6.160 1.00 34.53 C ATOM 1516 C TRP A 106 5.167 8.442 -6.855 1.00 71.45 C ATOM 1517 O TRP A 106 4.553 9.446 -6.491 1.00 73.54 O ATOM 1518 CB TRP A 106 6.088 6.635 -5.345 1.00 5.02 C ATOM 1519 CG TRP A 106 6.588 7.518 -4.237 1.00 70.41 C ATOM 1520 CD1 TRP A 106 7.845 8.010 -4.133 1.00 32.22 C ATOM 1521 CD2 TRP A 106 5.872 8.035 -3.074 1.00 63.15 C ATOM 1522 NE1 TRP A 106 7.995 8.664 -2.931 1.00 33.20 N ATOM 1523 CE2 TRP A 106 6.803 8.729 -2.244 1.00 53.04 C ATOM 1524 CE3 TRP A 106 4.526 8.030 -2.654 1.00 32.21 C ATOM 1525 CZ2 TRP A 106 6.421 9.368 -1.057 1.00 24.41 C ATOM 1526 CZ3 TRP A 106 4.128 8.667 -1.463 1.00 25.34 C ATOM 1527 CH2 TRP A 106 5.072 9.332 -0.662 1.00 12.41 C ATOM 0 H TRP A 106 5.175 5.349 -7.220 1.00 53.05 H new ATOM 0 HA TRP A 106 4.055 7.275 -5.467 1.00 34.53 H new ATOM 0 HB2 TRP A 106 5.834 5.667 -4.912 1.00 5.02 H new ATOM 0 HB3 TRP A 106 6.913 6.468 -6.037 1.00 5.02 H new ATOM 0 HD1 TRP A 106 8.616 7.905 -4.882 1.00 32.22 H new ATOM 0 HE1 TRP A 106 8.876 9.051 -2.593 1.00 33.20 H new ATOM 0 HE3 TRP A 106 3.785 7.527 -3.258 1.00 32.21 H new ATOM 0 HZ2 TRP A 106 7.154 9.882 -0.453 1.00 24.41 H new ATOM 0 HZ3 TRP A 106 3.091 8.644 -1.163 1.00 25.34 H new ATOM 0 HH2 TRP A 106 4.762 9.814 0.254 1.00 12.41 H new ATOM 1537 N GLU A 107 6.069 8.459 -7.845 1.00 72.11 N ATOM 1538 CA GLU A 107 6.467 9.657 -8.590 1.00 61.44 C ATOM 1539 C GLU A 107 5.263 10.433 -9.113 1.00 74.55 C ATOM 1540 O GLU A 107 5.278 11.666 -9.168 1.00 41.15 O ATOM 1541 CB GLU A 107 7.380 9.283 -9.771 1.00 43.33 C ATOM 1542 CG GLU A 107 8.874 9.392 -9.468 1.00 4.14 C ATOM 1543 CD GLU A 107 9.403 10.827 -9.387 1.00 42.42 C ATOM 1544 OE1 GLU A 107 8.786 11.681 -8.722 1.00 42.35 O ATOM 1545 OE2 GLU A 107 10.508 11.088 -9.919 1.00 35.40 O ATOM 0 H GLU A 107 6.554 7.617 -8.157 1.00 72.11 H new ATOM 0 HA GLU A 107 7.009 10.296 -7.893 1.00 61.44 H new ATOM 0 HB2 GLU A 107 7.157 8.261 -10.079 1.00 43.33 H new ATOM 0 HB3 GLU A 107 7.144 9.929 -10.617 1.00 43.33 H new ATOM 0 HG2 GLU A 107 9.078 8.889 -8.522 1.00 4.14 H new ATOM 0 HG3 GLU A 107 9.428 8.857 -10.239 1.00 4.14 H new ATOM 1550 N ASN A 108 4.194 9.714 -9.445 1.00 13.22 N ATOM 1551 CA ASN A 108 2.953 10.324 -9.864 1.00 43.03 C ATOM 1552 C ASN A 108 2.413 11.303 -8.826 1.00 52.01 C ATOM 1553 O ASN A 108 1.965 12.382 -9.202 1.00 3.22 O ATOM 1554 CB ASN A 108 1.915 9.251 -10.185 1.00 44.01 C ATOM 1555 CG ASN A 108 0.884 9.841 -11.126 1.00 52.11 C ATOM 1556 OD1 ASN A 108 -0.165 10.317 -10.711 1.00 4.34 O ATOM 1557 ND2 ASN A 108 1.177 9.848 -12.412 1.00 43.30 N ATOM 0 H ASN A 108 4.172 8.694 -9.428 1.00 13.22 H new ATOM 0 HA ASN A 108 3.161 10.898 -10.767 1.00 43.03 H new ATOM 0 HB2 ASN A 108 2.394 8.386 -10.644 1.00 44.01 H new ATOM 0 HB3 ASN A 108 1.436 8.902 -9.270 1.00 44.01 H new ATOM 0 HD21 ASN A 108 0.524 10.255 -13.082 1.00 43.30 H new ATOM 0 HD22 ASN A 108 2.056 9.446 -12.737 1.00 43.30 H new ATOM 1563 N TYR A 109 2.471 10.992 -7.526 1.00 11.22 N ATOM 1564 CA TYR A 109 1.838 11.823 -6.512 1.00 61.54 C ATOM 1565 C TYR A 109 2.772 12.964 -6.200 1.00 34.44 C ATOM 1566 O TYR A 109 2.312 14.076 -5.976 1.00 10.32 O ATOM 1567 CB TYR A 109 1.519 11.013 -5.249 1.00 5.10 C ATOM 1568 CG TYR A 109 0.540 9.898 -5.536 1.00 1.10 C ATOM 1569 CD1 TYR A 109 -0.737 10.196 -6.054 1.00 3.30 C ATOM 1570 CD2 TYR A 109 0.951 8.560 -5.404 1.00 53.43 C ATOM 1571 CE1 TYR A 109 -1.566 9.161 -6.514 1.00 53.11 C ATOM 1572 CE2 TYR A 109 0.118 7.525 -5.847 1.00 11.02 C ATOM 1573 CZ TYR A 109 -1.115 7.828 -6.462 1.00 63.20 C ATOM 1574 OH TYR A 109 -1.912 6.828 -6.914 1.00 51.21 O ATOM 0 H TYR A 109 2.951 10.171 -7.158 1.00 11.22 H new ATOM 0 HA TYR A 109 0.889 12.206 -6.886 1.00 61.54 H new ATOM 0 HB2 TYR A 109 2.440 10.594 -4.843 1.00 5.10 H new ATOM 0 HB3 TYR A 109 1.106 11.674 -4.487 1.00 5.10 H new ATOM 0 HD1 TYR A 109 -1.077 11.220 -6.097 1.00 3.30 H new ATOM 0 HD2 TYR A 109 1.909 8.330 -4.961 1.00 53.43 H new ATOM 0 HE1 TYR A 109 -2.547 9.386 -6.907 1.00 53.11 H new ATOM 0 HE2 TYR A 109 0.419 6.496 -5.718 1.00 11.02 H new ATOM 0 HH TYR A 109 -1.521 5.963 -6.671 1.00 51.21 H new ATOM 1583 N LEU A 110 4.078 12.711 -6.247 1.00 63.12 N ATOM 1584 CA LEU A 110 5.115 13.708 -6.106 1.00 34.52 C ATOM 1585 C LEU A 110 4.879 14.821 -7.130 1.00 70.54 C ATOM 1586 O LEU A 110 4.978 16.000 -6.776 1.00 22.40 O ATOM 1587 CB LEU A 110 6.465 12.998 -6.280 1.00 3.32 C ATOM 1588 CG LEU A 110 6.913 12.209 -5.039 1.00 33.41 C ATOM 1589 CD1 LEU A 110 6.027 11.135 -4.420 1.00 73.33 C ATOM 1590 CD2 LEU A 110 8.285 11.587 -5.293 1.00 21.24 C ATOM 0 H LEU A 110 4.447 11.771 -6.390 1.00 63.12 H new ATOM 0 HA LEU A 110 5.106 14.182 -5.125 1.00 34.52 H new ATOM 0 HB2 LEU A 110 6.401 12.317 -7.129 1.00 3.32 H new ATOM 0 HB3 LEU A 110 7.227 13.739 -6.523 1.00 3.32 H new ATOM 0 HG LEU A 110 6.880 13.000 -4.290 1.00 33.41 H new ATOM 0 HD11 LEU A 110 6.530 10.702 -3.555 1.00 73.33 H new ATOM 0 HD12 LEU A 110 5.082 11.579 -4.106 1.00 73.33 H new ATOM 0 HD13 LEU A 110 5.834 10.354 -5.156 1.00 73.33 H new ATOM 0 HD21 LEU A 110 8.600 11.028 -4.412 1.00 21.24 H new ATOM 0 HD22 LEU A 110 8.226 10.913 -6.148 1.00 21.24 H new ATOM 0 HD23 LEU A 110 9.009 12.375 -5.501 1.00 21.24 H new ATOM 1601 N ALA A 111 4.497 14.451 -8.356 1.00 4.10 N ATOM 1602 CA ALA A 111 4.095 15.357 -9.414 1.00 25.20 C ATOM 1603 C ALA A 111 2.733 16.008 -9.098 1.00 61.52 C ATOM 1604 O ALA A 111 2.677 17.229 -8.924 1.00 42.12 O ATOM 1605 CB ALA A 111 4.117 14.591 -10.748 1.00 12.41 C ATOM 0 H ALA A 111 4.461 13.472 -8.641 1.00 4.10 H new ATOM 0 HA ALA A 111 4.796 16.188 -9.494 1.00 25.20 H new ATOM 0 HB1 ALA A 111 3.817 15.258 -11.556 1.00 12.41 H new ATOM 0 HB2 ALA A 111 5.124 14.221 -10.938 1.00 12.41 H new ATOM 0 HB3 ALA A 111 3.425 13.750 -10.696 1.00 12.41 H new ATOM 1611 N ARG A 112 1.640 15.230 -8.992 1.00 34.34 N ATOM 1612 CA ARG A 112 0.271 15.771 -8.865 1.00 30.51 C ATOM 1613 C ARG A 112 0.148 16.722 -7.672 1.00 5.44 C ATOM 1614 O ARG A 112 -0.585 17.710 -7.724 1.00 65.22 O ATOM 1615 CB ARG A 112 -0.809 14.670 -8.723 1.00 14.22 C ATOM 1616 CG ARG A 112 -0.769 13.490 -9.716 1.00 44.21 C ATOM 1617 CD ARG A 112 -2.123 13.152 -10.350 1.00 42.02 C ATOM 1618 NE ARG A 112 -3.128 12.683 -9.370 1.00 24.23 N ATOM 1619 CZ ARG A 112 -3.375 11.406 -9.035 1.00 43.23 C ATOM 1620 NH1 ARG A 112 -2.598 10.426 -9.479 1.00 72.12 N ATOM 1621 NH2 ARG A 112 -4.373 11.128 -8.204 1.00 30.44 N ATOM 0 H ARG A 112 1.679 14.211 -8.992 1.00 34.34 H new ATOM 0 HA ARG A 112 0.095 16.311 -9.795 1.00 30.51 H new ATOM 0 HB2 ARG A 112 -0.740 14.262 -7.715 1.00 14.22 H new ATOM 0 HB3 ARG A 112 -1.786 15.146 -8.808 1.00 14.22 H new ATOM 0 HG2 ARG A 112 -0.058 13.722 -10.509 1.00 44.21 H new ATOM 0 HG3 ARG A 112 -0.393 12.607 -9.198 1.00 44.21 H new ATOM 0 HD2 ARG A 112 -2.508 14.035 -10.860 1.00 42.02 H new ATOM 0 HD3 ARG A 112 -1.979 12.383 -11.109 1.00 42.02 H new ATOM 0 HE ARG A 112 -3.687 13.398 -8.904 1.00 24.23 H new ATOM 0 HH11 ARG A 112 -1.803 10.639 -10.082 1.00 72.12 H new ATOM 0 HH12 ARG A 112 -2.796 9.460 -9.218 1.00 72.12 H new ATOM 0 HH21 ARG A 112 -4.946 11.882 -7.825 1.00 30.44 H new ATOM 0 HH22 ARG A 112 -4.567 10.161 -7.945 1.00 30.44 H new ATOM 1632 N LEU A 113 0.879 16.439 -6.593 1.00 25.32 N ATOM 1633 CA LEU A 113 0.956 17.214 -5.366 1.00 33.10 C ATOM 1634 C LEU A 113 1.248 18.663 -5.703 1.00 33.53 C ATOM 1635 O LEU A 113 0.480 19.542 -5.311 1.00 42.24 O ATOM 1636 CB LEU A 113 2.031 16.578 -4.465 1.00 21.53 C ATOM 1637 CG LEU A 113 2.564 17.371 -3.268 1.00 33.20 C ATOM 1638 CD1 LEU A 113 1.468 18.000 -2.431 1.00 22.20 C ATOM 1639 CD2 LEU A 113 3.330 16.413 -2.349 1.00 4.32 C ATOM 0 H LEU A 113 1.469 15.608 -6.556 1.00 25.32 H new ATOM 0 HA LEU A 113 0.011 17.203 -4.823 1.00 33.10 H new ATOM 0 HB2 LEU A 113 1.627 15.640 -4.084 1.00 21.53 H new ATOM 0 HB3 LEU A 113 2.882 16.326 -5.097 1.00 21.53 H new ATOM 0 HG LEU A 113 3.189 18.167 -3.673 1.00 33.20 H new ATOM 0 HD11 LEU A 113 1.913 18.547 -1.600 1.00 22.20 H new ATOM 0 HD12 LEU A 113 0.888 18.686 -3.048 1.00 22.20 H new ATOM 0 HD13 LEU A 113 0.813 17.220 -2.043 1.00 22.20 H new ATOM 0 HD21 LEU A 113 3.716 16.963 -1.491 1.00 4.32 H new ATOM 0 HD22 LEU A 113 2.660 15.626 -2.004 1.00 4.32 H new ATOM 0 HD23 LEU A 113 4.160 15.968 -2.898 1.00 4.32 H new ATOM 1650 N ARG A 114 2.328 18.921 -6.441 1.00 51.33 N ATOM 1651 CA ARG A 114 2.694 20.295 -6.743 1.00 11.20 C ATOM 1652 C ARG A 114 1.716 20.953 -7.707 1.00 70.43 C ATOM 1653 O ARG A 114 1.455 22.146 -7.564 1.00 51.32 O ATOM 1654 CB ARG A 114 4.121 20.370 -7.285 1.00 1.30 C ATOM 1655 CG ARG A 114 5.141 20.269 -6.140 1.00 73.31 C ATOM 1656 CD ARG A 114 6.538 19.844 -6.604 1.00 52.44 C ATOM 1657 NE ARG A 114 7.285 20.929 -7.268 1.00 61.42 N ATOM 1658 CZ ARG A 114 8.524 20.833 -7.761 1.00 25.22 C ATOM 1659 NH1 ARG A 114 9.218 19.707 -7.622 1.00 13.24 N ATOM 1660 NH2 ARG A 114 9.085 21.863 -8.384 1.00 33.31 N ATOM 0 H ARG A 114 2.949 18.212 -6.831 1.00 51.33 H new ATOM 0 HA ARG A 114 2.646 20.852 -5.807 1.00 11.20 H new ATOM 0 HB2 ARG A 114 4.287 19.564 -7.999 1.00 1.30 H new ATOM 0 HB3 ARG A 114 4.262 21.307 -7.823 1.00 1.30 H new ATOM 0 HG2 ARG A 114 5.211 21.235 -5.640 1.00 73.31 H new ATOM 0 HG3 ARG A 114 4.778 19.553 -5.402 1.00 73.31 H new ATOM 0 HD2 ARG A 114 7.108 19.493 -5.744 1.00 52.44 H new ATOM 0 HD3 ARG A 114 6.445 19.002 -7.290 1.00 52.44 H new ATOM 0 HE ARG A 114 6.816 21.830 -7.359 1.00 61.42 H new ATOM 0 HH11 ARG A 114 8.805 18.910 -7.137 1.00 13.24 H new ATOM 0 HH12 ARG A 114 10.163 19.640 -8.000 1.00 13.24 H new ATOM 0 HH21 ARG A 114 8.570 22.737 -8.490 1.00 33.31 H new ATOM 0 HH22 ARG A 114 10.031 21.780 -8.757 1.00 33.31 H new ATOM 1671 N ALA A 115 1.136 20.211 -8.652 1.00 44.45 N ATOM 1672 CA ALA A 115 0.133 20.760 -9.556 1.00 31.54 C ATOM 1673 C ALA A 115 -1.096 21.224 -8.764 1.00 63.21 C ATOM 1674 O ALA A 115 -1.755 22.189 -9.159 1.00 1.30 O ATOM 1675 CB ALA A 115 -0.254 19.716 -10.610 1.00 73.35 C ATOM 0 H ALA A 115 1.347 19.225 -8.809 1.00 44.45 H new ATOM 0 HA ALA A 115 0.552 21.625 -10.070 1.00 31.54 H new ATOM 0 HB1 ALA A 115 -1.004 20.136 -11.280 1.00 73.35 H new ATOM 0 HB2 ALA A 115 0.629 19.434 -11.184 1.00 73.35 H new ATOM 0 HB3 ALA A 115 -0.662 18.834 -10.116 1.00 73.35 H new ATOM 1681 N ALA A 116 -1.356 20.596 -7.611 1.00 30.41 N ATOM 1682 CA ALA A 116 -2.519 20.860 -6.774 1.00 50.11 C ATOM 1683 C ALA A 116 -2.189 21.668 -5.514 1.00 71.45 C ATOM 1684 O ALA A 116 -3.091 21.976 -4.742 1.00 23.51 O ATOM 1685 CB ALA A 116 -3.207 19.532 -6.429 1.00 2.30 C ATOM 0 H ALA A 116 -0.745 19.874 -7.230 1.00 30.41 H new ATOM 0 HA ALA A 116 -3.203 21.488 -7.345 1.00 50.11 H new ATOM 0 HB1 ALA A 116 -4.078 19.725 -5.803 1.00 2.30 H new ATOM 0 HB2 ALA A 116 -3.523 19.037 -7.347 1.00 2.30 H new ATOM 0 HB3 ALA A 116 -2.509 18.890 -5.892 1.00 2.30 H new ATOM 1691 N LYS A 117 -0.918 22.030 -5.311 1.00 74.41 N ATOM 1692 CA LYS A 117 -0.407 22.758 -4.151 1.00 22.22 C ATOM 1693 C LYS A 117 -0.927 22.200 -2.819 1.00 74.11 C ATOM 1694 O LYS A 117 -1.277 22.953 -1.906 1.00 5.42 O ATOM 1695 CB LYS A 117 -0.641 24.267 -4.326 1.00 62.22 C ATOM 1696 CG LYS A 117 0.128 24.829 -5.542 1.00 71.23 C ATOM 1697 CD LYS A 117 -0.676 24.911 -6.851 1.00 12.21 C ATOM 1698 CE LYS A 117 -1.656 26.081 -6.772 1.00 45.13 C ATOM 1699 NZ LYS A 117 -2.523 26.204 -7.962 1.00 3.00 N ATOM 0 H LYS A 117 -0.184 21.811 -5.985 1.00 74.41 H new ATOM 0 HA LYS A 117 0.671 22.604 -4.100 1.00 22.22 H new ATOM 0 HB2 LYS A 117 -1.707 24.458 -4.450 1.00 62.22 H new ATOM 0 HB3 LYS A 117 -0.327 24.791 -3.423 1.00 62.22 H new ATOM 0 HG2 LYS A 117 0.487 25.827 -5.293 1.00 71.23 H new ATOM 0 HG3 LYS A 117 1.007 24.207 -5.714 1.00 71.23 H new ATOM 0 HD2 LYS A 117 -0.002 25.043 -7.697 1.00 12.21 H new ATOM 0 HD3 LYS A 117 -1.217 23.980 -7.017 1.00 12.21 H new ATOM 0 HE2 LYS A 117 -2.281 25.962 -5.887 1.00 45.13 H new ATOM 0 HE3 LYS A 117 -1.095 27.007 -6.644 1.00 45.13 H new ATOM 0 HZ1 LYS A 117 -3.162 27.016 -7.843 1.00 3.00 H new ATOM 0 HZ2 LYS A 117 -1.934 26.348 -8.807 1.00 3.00 H new ATOM 0 HZ3 LYS A 117 -3.084 25.335 -8.074 1.00 3.00 H new ATOM 1709 N ALA A 118 -0.993 20.871 -2.712 1.00 63.12 N ATOM 1710 CA ALA A 118 -1.385 20.213 -1.477 1.00 32.43 C ATOM 1711 C ALA A 118 -0.212 20.190 -0.478 1.00 70.43 C ATOM 1712 O ALA A 118 0.899 20.629 -0.794 1.00 73.21 O ATOM 1713 CB ALA A 118 -1.940 18.815 -1.802 1.00 44.05 C ATOM 0 H ALA A 118 -0.777 20.231 -3.476 1.00 63.12 H new ATOM 0 HA ALA A 118 -2.182 20.772 -0.986 1.00 32.43 H new ATOM 0 HB1 ALA A 118 -2.236 18.317 -0.878 1.00 44.05 H new ATOM 0 HB2 ALA A 118 -2.807 18.911 -2.456 1.00 44.05 H new ATOM 0 HB3 ALA A 118 -1.171 18.226 -2.302 1.00 44.05 H new ATOM 1719 N SER A 119 -0.457 19.685 0.733 1.00 62.21 N ATOM 1720 CA SER A 119 0.531 19.612 1.809 1.00 23.10 C ATOM 1721 C SER A 119 1.610 18.563 1.540 1.00 21.31 C ATOM 1722 O SER A 119 1.449 17.665 0.716 1.00 33.10 O ATOM 1723 CB SER A 119 -0.171 19.306 3.134 1.00 13.43 C ATOM 1724 OG SER A 119 -1.302 20.162 3.246 1.00 13.42 O ATOM 0 H SER A 119 -1.367 19.308 0.997 1.00 62.21 H new ATOM 0 HA SER A 119 1.027 20.581 1.862 1.00 23.10 H new ATOM 0 HB2 SER A 119 -0.480 18.261 3.168 1.00 13.43 H new ATOM 0 HB3 SER A 119 0.510 19.464 3.970 1.00 13.43 H new ATOM 0 HG SER A 119 -1.768 19.980 4.089 1.00 13.42 H new ATOM 1729 N ARG A 120 2.721 18.653 2.268 1.00 10.04 N ATOM 1730 CA ARG A 120 3.927 17.875 2.047 1.00 43.11 C ATOM 1731 C ARG A 120 4.359 17.390 3.420 1.00 70.41 C ATOM 1732 O ARG A 120 5.265 17.966 4.025 1.00 30.54 O ATOM 1733 CB ARG A 120 5.009 18.747 1.356 1.00 74.14 C ATOM 1734 CG ARG A 120 4.536 19.475 0.085 1.00 72.11 C ATOM 1735 CD ARG A 120 3.995 20.893 0.326 1.00 25.14 C ATOM 1736 NE ARG A 120 5.056 21.900 0.476 1.00 43.41 N ATOM 1737 CZ ARG A 120 4.866 23.224 0.458 1.00 21.21 C ATOM 1738 NH1 ARG A 120 3.656 23.726 0.249 1.00 10.40 N ATOM 1739 NH2 ARG A 120 5.899 24.033 0.624 1.00 50.04 N ATOM 0 H ARG A 120 2.804 19.295 3.056 1.00 10.04 H new ATOM 0 HA ARG A 120 3.762 17.027 1.382 1.00 43.11 H new ATOM 0 HB2 ARG A 120 5.369 19.488 2.070 1.00 74.14 H new ATOM 0 HB3 ARG A 120 5.858 18.113 1.100 1.00 74.14 H new ATOM 0 HG2 ARG A 120 5.368 19.532 -0.617 1.00 72.11 H new ATOM 0 HG3 ARG A 120 3.758 18.879 -0.391 1.00 72.11 H new ATOM 0 HD2 ARG A 120 3.350 21.175 -0.506 1.00 25.14 H new ATOM 0 HD3 ARG A 120 3.375 20.891 1.223 1.00 25.14 H new ATOM 0 HE ARG A 120 6.010 21.563 0.604 1.00 43.41 H new ATOM 0 HH11 ARG A 120 2.863 23.101 0.101 1.00 10.40 H new ATOM 0 HH12 ARG A 120 3.518 24.737 0.237 1.00 10.40 H new ATOM 0 HH21 ARG A 120 6.832 23.646 0.764 1.00 50.04 H new ATOM 0 HH22 ARG A 120 5.762 25.044 0.612 1.00 50.04 H new ATOM 1750 N GLU A 121 3.621 16.435 3.974 1.00 32.41 N ATOM 1751 CA GLU A 121 3.940 15.870 5.278 1.00 64.23 C ATOM 1752 C GLU A 121 5.355 15.293 5.310 1.00 71.15 C ATOM 1753 O GLU A 121 5.925 15.036 4.248 1.00 25.30 O ATOM 1754 CB GLU A 121 2.914 14.782 5.627 1.00 13.31 C ATOM 1755 CG GLU A 121 1.531 15.349 5.957 1.00 53.14 C ATOM 1756 CD GLU A 121 1.642 16.403 7.058 1.00 74.44 C ATOM 1757 OE1 GLU A 121 1.758 16.024 8.241 1.00 1.22 O ATOM 1758 OE2 GLU A 121 1.746 17.602 6.715 1.00 44.04 O ATOM 0 H GLU A 121 2.792 16.034 3.536 1.00 32.41 H new ATOM 0 HA GLU A 121 3.896 16.669 6.018 1.00 64.23 H new ATOM 0 HB2 GLU A 121 2.827 14.090 4.789 1.00 13.31 H new ATOM 0 HB3 GLU A 121 3.278 14.207 6.479 1.00 13.31 H new ATOM 0 HG2 GLU A 121 1.088 15.790 5.064 1.00 53.14 H new ATOM 0 HG3 GLU A 121 0.868 14.546 6.278 1.00 53.14 H new ATOM 1763 N PRO A 122 5.919 15.081 6.508 1.00 63.51 N ATOM 1764 CA PRO A 122 7.206 14.429 6.638 1.00 33.11 C ATOM 1765 C PRO A 122 7.111 13.019 6.069 1.00 22.41 C ATOM 1766 O PRO A 122 6.118 12.325 6.274 1.00 13.32 O ATOM 1767 CB PRO A 122 7.554 14.441 8.136 1.00 64.41 C ATOM 1768 CG PRO A 122 6.264 14.820 8.855 1.00 25.10 C ATOM 1769 CD PRO A 122 5.378 15.474 7.798 1.00 22.30 C ATOM 0 HA PRO A 122 7.994 14.938 6.082 1.00 33.11 H new ATOM 0 HB2 PRO A 122 7.912 13.465 8.463 1.00 64.41 H new ATOM 0 HB3 PRO A 122 8.346 15.159 8.348 1.00 64.41 H new ATOM 0 HG2 PRO A 122 5.781 13.941 9.281 1.00 25.10 H new ATOM 0 HG3 PRO A 122 6.462 15.506 9.679 1.00 25.10 H new ATOM 0 HD2 PRO A 122 4.344 15.146 7.901 1.00 22.30 H new ATOM 0 HD3 PRO A 122 5.381 16.559 7.906 1.00 22.30 H new