USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 853 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 93 ASN : amide:sc= -2.33! K(o=-2.4!,f=-7.9) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 162:sc= -0.0658 (180deg=-1.59) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -115:sc= 0.593 (180deg=-0.0261) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= -0.259 (180deg=-1.2) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 154:sc= -1.27 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc=-0.00815 (180deg=-0.179) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.695 (180deg=-2.09!) USER MOD Single : A 43 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.037) USER MOD Single : A 44 SER OG : rot 150:sc= 0.904 USER MOD Single : A 46 SER OG : rot 107:sc= 0.213 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.76! X(o=-1.8!,f=-1.6) USER MOD Single : A 63 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.85) USER MOD Single : A 67 SER OG : rot 65:sc= 0.938 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 76 THR OG1 : rot -62:sc= -1.07! USER MOD Single : A 78 GLN : amide:sc= -2.72! C(o=-2.7!,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ -132:sc= 0.844 (180deg=-0.0777) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -1.52 (180deg=-3.71!) USER MOD Single : A 84 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.47) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 132:sc= 0.838 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 72:sc= -0.0373 USER MOD Single : A 102 ASN : amide:sc= -0.763 K(o=-0.76,f=-2.3) USER MOD Single : B 5 TYR OH : rot -2:sc= -1.75 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.251 -1.924 8.783 1.00 0.24 N ATOM 21 CA VAL A 2 -2.897 -1.748 8.173 1.00 0.19 C ATOM 22 C VAL A 2 -2.070 -3.021 8.379 1.00 0.22 C ATOM 23 O VAL A 2 -2.331 -3.805 9.269 1.00 0.28 O ATOM 24 CB VAL A 2 -2.187 -0.569 8.839 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.815 -0.368 8.190 1.00 0.18 C ATOM 26 CG2 VAL A 2 -3.025 0.701 8.666 1.00 0.30 C ATOM 0 HA VAL A 2 -3.005 -1.554 7.106 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.061 -0.776 9.902 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.308 0.472 8.664 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.217 -1.271 8.316 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.942 -0.162 7.127 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.517 1.540 9.142 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.154 0.910 7.604 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -4.001 0.559 9.129 1.00 0.30 H new ATOM 36 N LYS A 3 -1.067 -3.228 7.564 1.00 0.18 N ATOM 37 CA LYS A 3 -0.212 -4.445 7.712 1.00 0.22 C ATOM 38 C LYS A 3 1.173 -4.162 7.128 1.00 0.16 C ATOM 39 O LYS A 3 1.311 -3.807 5.975 1.00 0.13 O ATOM 40 CB LYS A 3 -0.841 -5.630 6.972 1.00 0.26 C ATOM 41 CG LYS A 3 -0.177 -6.929 7.436 1.00 0.34 C ATOM 42 CD LYS A 3 -0.855 -8.123 6.761 1.00 0.81 C ATOM 43 CE LYS A 3 -0.086 -9.406 7.089 1.00 1.37 C ATOM 44 NZ LYS A 3 1.354 -9.229 6.748 1.00 1.97 N ATOM 0 H LYS A 3 -0.803 -2.605 6.801 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.127 -4.693 8.770 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.913 -5.667 7.166 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.716 -5.509 5.896 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.885 -6.914 7.190 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.252 -7.020 8.520 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.887 -8.209 7.102 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.888 -7.973 5.682 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.192 -9.645 8.147 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.502 -10.244 6.530 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.754 -10.140 6.446 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.446 -8.538 5.976 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.869 -8.885 7.584 1.00 1.97 H new ATOM 58 N GLN A 4 2.198 -4.313 7.921 1.00 0.18 N ATOM 59 CA GLN A 4 3.581 -4.049 7.427 1.00 0.15 C ATOM 60 C GLN A 4 4.170 -5.336 6.836 1.00 0.13 C ATOM 61 O GLN A 4 4.055 -6.405 7.400 1.00 0.14 O ATOM 62 CB GLN A 4 4.439 -3.556 8.604 1.00 0.20 C ATOM 63 CG GLN A 4 5.936 -3.723 8.294 1.00 0.21 C ATOM 64 CD GLN A 4 6.761 -2.816 9.212 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.076 -3.186 10.325 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.127 -1.638 8.787 1.00 0.98 N ATOM 0 H GLN A 4 2.138 -4.609 8.895 1.00 0.18 H new ATOM 0 HA GLN A 4 3.564 -3.287 6.648 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.219 -2.508 8.806 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.185 -4.115 9.505 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.232 -4.763 8.434 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.131 -3.474 7.251 1.00 0.21 H new ATOM 0 HE21 GLN A 4 6.862 -1.328 7.852 1.00 0.98 H new ATOM 0 HE22 GLN A 4 7.678 -1.027 9.390 1.00 0.98 H new ATOM 75 N ILE A 5 4.810 -5.223 5.699 1.00 0.10 N ATOM 76 CA ILE A 5 5.437 -6.409 5.039 1.00 0.10 C ATOM 77 C ILE A 5 6.958 -6.282 5.174 1.00 0.10 C ATOM 78 O ILE A 5 7.558 -5.388 4.611 1.00 0.11 O ATOM 79 CB ILE A 5 5.078 -6.413 3.547 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.593 -6.050 3.332 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.382 -7.784 2.941 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.662 -6.960 4.150 1.00 0.19 C ATOM 0 H ILE A 5 4.926 -4.345 5.193 1.00 0.10 H new ATOM 0 HA ILE A 5 5.080 -7.328 5.505 1.00 0.10 H new ATOM 0 HB ILE A 5 5.685 -5.658 3.046 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.428 -5.011 3.616 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.347 -6.135 2.273 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.124 -7.779 1.882 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.443 -8.005 3.055 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.795 -8.546 3.453 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.625 -6.674 3.972 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.809 -7.997 3.848 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.891 -6.855 5.211 1.00 0.19 H new ATOM 94 N GLU A 6 7.589 -7.156 5.917 1.00 0.11 N ATOM 95 CA GLU A 6 9.072 -7.067 6.089 1.00 0.14 C ATOM 96 C GLU A 6 9.770 -8.104 5.205 1.00 0.14 C ATOM 97 O GLU A 6 10.976 -8.086 5.053 1.00 0.17 O ATOM 98 CB GLU A 6 9.430 -7.336 7.552 1.00 0.18 C ATOM 99 CG GLU A 6 8.501 -6.542 8.480 1.00 0.31 C ATOM 100 CD GLU A 6 7.180 -7.294 8.666 1.00 1.20 C ATOM 101 OE1 GLU A 6 7.114 -8.120 9.561 1.00 1.96 O ATOM 102 OE2 GLU A 6 6.258 -7.033 7.913 1.00 1.97 O ATOM 0 H GLU A 6 7.142 -7.927 6.412 1.00 0.11 H new ATOM 0 HA GLU A 6 9.402 -6.069 5.801 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.344 -8.402 7.765 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.467 -7.056 7.738 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.982 -6.390 9.446 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.311 -5.554 8.060 1.00 0.31 H new ATOM 109 N SER A 7 9.035 -9.014 4.623 1.00 0.13 N ATOM 110 CA SER A 7 9.682 -10.047 3.759 1.00 0.15 C ATOM 111 C SER A 7 8.701 -10.527 2.689 1.00 0.14 C ATOM 112 O SER A 7 7.500 -10.478 2.862 1.00 0.12 O ATOM 113 CB SER A 7 10.110 -11.232 4.622 1.00 0.20 C ATOM 114 OG SER A 7 9.029 -11.617 5.460 1.00 0.23 O ATOM 0 H SER A 7 8.021 -9.088 4.707 1.00 0.13 H new ATOM 0 HA SER A 7 10.554 -9.610 3.272 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.410 -12.067 3.990 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.976 -10.962 5.227 1.00 0.20 H new ATOM 0 HG SER A 7 9.300 -12.379 6.014 1.00 0.23 H new ATOM 120 N LYS A 8 9.212 -10.992 1.584 1.00 0.15 N ATOM 121 CA LYS A 8 8.326 -11.480 0.492 1.00 0.14 C ATOM 122 C LYS A 8 7.325 -12.494 1.058 1.00 0.14 C ATOM 123 O LYS A 8 6.230 -12.646 0.558 1.00 0.13 O ATOM 124 CB LYS A 8 9.187 -12.145 -0.590 1.00 0.17 C ATOM 125 CG LYS A 8 8.409 -12.213 -1.907 1.00 0.21 C ATOM 126 CD LYS A 8 9.209 -13.026 -2.928 1.00 0.22 C ATOM 127 CE LYS A 8 8.551 -12.916 -4.305 1.00 1.06 C ATOM 128 NZ LYS A 8 9.471 -13.472 -5.338 1.00 1.90 N ATOM 0 H LYS A 8 10.211 -11.055 1.389 1.00 0.15 H new ATOM 0 HA LYS A 8 7.777 -10.644 0.059 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.109 -11.581 -0.731 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.472 -13.148 -0.274 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.434 -12.672 -1.743 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.228 -11.208 -2.288 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.235 -12.661 -2.974 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.256 -14.070 -2.619 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.606 -13.459 -4.313 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.322 -11.874 -4.529 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.026 -13.398 -6.275 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 10.362 -12.935 -5.335 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.668 -14.471 -5.126 1.00 1.90 H new ATOM 142 N THR A 9 7.693 -13.190 2.097 1.00 0.16 N ATOM 143 CA THR A 9 6.762 -14.190 2.690 1.00 0.18 C ATOM 144 C THR A 9 5.491 -13.491 3.176 1.00 0.16 C ATOM 145 O THR A 9 4.389 -13.950 2.947 1.00 0.17 O ATOM 146 CB THR A 9 7.442 -14.878 3.866 1.00 0.21 C ATOM 147 OG1 THR A 9 8.713 -15.367 3.460 1.00 0.24 O ATOM 148 CG2 THR A 9 6.575 -16.040 4.354 1.00 0.25 C ATOM 0 H THR A 9 8.598 -13.110 2.561 1.00 0.16 H new ATOM 0 HA THR A 9 6.499 -14.930 1.934 1.00 0.18 H new ATOM 0 HB THR A 9 7.573 -14.162 4.678 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.151 -15.808 4.218 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.064 -16.530 5.196 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.603 -15.661 4.670 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.439 -16.758 3.545 1.00 0.25 H new ATOM 156 N ALA A 10 5.639 -12.387 3.852 1.00 0.16 N ATOM 157 CA ALA A 10 4.448 -11.653 4.367 1.00 0.17 C ATOM 158 C ALA A 10 3.687 -11.001 3.206 1.00 0.15 C ATOM 159 O ALA A 10 2.509 -10.721 3.308 1.00 0.17 O ATOM 160 CB ALA A 10 4.914 -10.579 5.356 1.00 0.20 C ATOM 0 H ALA A 10 6.538 -11.958 4.072 1.00 0.16 H new ATOM 0 HA ALA A 10 3.779 -12.351 4.871 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.049 -10.037 5.738 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.441 -11.052 6.185 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.583 -9.884 4.849 1.00 0.20 H new ATOM 166 N PHE A 11 4.345 -10.752 2.105 1.00 0.12 N ATOM 167 CA PHE A 11 3.647 -10.112 0.949 1.00 0.11 C ATOM 168 C PHE A 11 2.481 -10.985 0.488 1.00 0.13 C ATOM 169 O PHE A 11 1.333 -10.603 0.588 1.00 0.16 O ATOM 170 CB PHE A 11 4.636 -9.924 -0.208 1.00 0.10 C ATOM 171 CG PHE A 11 3.906 -9.400 -1.426 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.413 -8.080 -1.438 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.718 -10.229 -2.551 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.734 -7.590 -2.571 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.039 -9.739 -3.684 1.00 0.18 C ATOM 176 CZ PHE A 11 2.546 -8.420 -3.693 1.00 0.21 C ATOM 0 H PHE A 11 5.332 -10.963 1.955 1.00 0.12 H new ATOM 0 HA PHE A 11 3.261 -9.142 1.262 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.423 -9.228 0.083 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.120 -10.872 -0.443 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.556 -7.443 -0.578 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.095 -11.241 -2.544 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.358 -6.578 -2.579 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.897 -10.375 -4.545 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.024 -8.045 -4.561 1.00 0.21 H new ATOM 186 N GLN A 12 2.761 -12.150 -0.027 1.00 0.15 N ATOM 187 CA GLN A 12 1.660 -13.031 -0.504 1.00 0.19 C ATOM 188 C GLN A 12 0.667 -13.274 0.633 1.00 0.17 C ATOM 189 O GLN A 12 -0.533 -13.219 0.447 1.00 0.16 O ATOM 190 CB GLN A 12 2.243 -14.370 -0.961 1.00 0.24 C ATOM 191 CG GLN A 12 3.364 -14.123 -1.973 1.00 1.21 C ATOM 192 CD GLN A 12 4.007 -15.458 -2.358 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.184 -15.516 -2.651 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.276 -16.539 -2.371 1.00 2.47 N ATOM 0 H GLN A 12 3.702 -12.529 -0.138 1.00 0.15 H new ATOM 0 HA GLN A 12 1.147 -12.550 -1.337 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.628 -14.922 -0.104 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.462 -14.984 -1.410 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.966 -13.630 -2.860 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.113 -13.456 -1.546 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.287 -16.489 -2.125 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.693 -17.434 -2.627 1.00 2.47 H new ATOM 203 N GLU A 13 1.159 -13.547 1.807 1.00 0.19 N ATOM 204 CA GLU A 13 0.252 -13.801 2.958 1.00 0.20 C ATOM 205 C GLU A 13 -0.645 -12.584 3.200 1.00 0.18 C ATOM 206 O GLU A 13 -1.797 -12.717 3.564 1.00 0.19 O ATOM 207 CB GLU A 13 1.097 -14.071 4.199 1.00 0.25 C ATOM 208 CG GLU A 13 1.799 -15.425 4.063 1.00 0.30 C ATOM 209 CD GLU A 13 0.766 -16.549 4.146 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.097 -16.473 5.004 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.858 -17.471 3.351 1.00 2.03 O ATOM 0 H GLU A 13 2.155 -13.605 2.020 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.380 -14.663 2.742 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.835 -13.279 4.327 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.466 -14.065 5.088 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.331 -15.476 3.113 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.542 -15.542 4.852 1.00 0.30 H new ATOM 218 N ALA A 14 -0.134 -11.399 3.007 1.00 0.18 N ATOM 219 CA ALA A 14 -0.970 -10.186 3.233 1.00 0.18 C ATOM 220 C ALA A 14 -2.187 -10.226 2.303 1.00 0.18 C ATOM 221 O ALA A 14 -3.308 -10.002 2.715 1.00 0.19 O ATOM 222 CB ALA A 14 -0.140 -8.939 2.939 1.00 0.20 C ATOM 0 H ALA A 14 0.823 -11.218 2.704 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.308 -10.161 4.269 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.749 -8.050 3.103 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.726 -8.914 3.601 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.196 -8.962 1.902 1.00 0.20 H new ATOM 228 N LEU A 15 -1.967 -10.514 1.051 1.00 0.17 N ATOM 229 CA LEU A 15 -3.097 -10.579 0.078 1.00 0.18 C ATOM 230 C LEU A 15 -4.051 -11.702 0.488 1.00 0.18 C ATOM 231 O LEU A 15 -5.257 -11.554 0.448 1.00 0.18 O ATOM 232 CB LEU A 15 -2.542 -10.854 -1.325 1.00 0.19 C ATOM 233 CG LEU A 15 -1.266 -10.034 -1.545 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.809 -10.186 -2.998 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.546 -8.556 -1.252 1.00 0.62 C ATOM 0 H LEU A 15 -1.047 -10.709 0.656 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.636 -9.632 0.072 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.327 -11.916 -1.440 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.286 -10.596 -2.078 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.485 -10.394 -0.875 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.099 -9.604 -3.157 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.607 -11.236 -3.208 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.592 -9.826 -3.665 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.637 -7.975 -1.409 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.328 -8.194 -1.920 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.873 -8.446 -0.218 1.00 0.62 H new ATOM 247 N ASP A 16 -3.519 -12.824 0.884 1.00 0.19 N ATOM 248 CA ASP A 16 -4.393 -13.955 1.299 1.00 0.21 C ATOM 249 C ASP A 16 -5.186 -13.556 2.546 1.00 0.20 C ATOM 250 O ASP A 16 -6.349 -13.879 2.682 1.00 0.20 O ATOM 251 CB ASP A 16 -3.527 -15.176 1.611 1.00 0.24 C ATOM 252 CG ASP A 16 -4.423 -16.399 1.807 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.360 -16.551 1.041 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.158 -17.163 2.720 1.00 1.07 O ATOM 0 H ASP A 16 -2.517 -13.006 0.938 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.085 -14.197 0.493 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.824 -15.354 0.798 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.937 -14.997 2.510 1.00 0.24 H new ATOM 259 N ALA A 17 -4.565 -12.859 3.459 1.00 0.22 N ATOM 260 CA ALA A 17 -5.286 -12.443 4.697 1.00 0.24 C ATOM 261 C ALA A 17 -6.165 -11.226 4.395 1.00 0.21 C ATOM 262 O ALA A 17 -7.040 -10.875 5.163 1.00 0.22 O ATOM 263 CB ALA A 17 -4.268 -12.080 5.780 1.00 0.30 C ATOM 0 H ALA A 17 -3.591 -12.560 3.402 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.913 -13.264 5.045 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.793 -11.776 6.685 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.643 -12.946 5.997 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.642 -11.259 5.430 1.00 0.30 H new ATOM 269 N ALA A 18 -5.939 -10.578 3.285 1.00 0.21 N ATOM 270 CA ALA A 18 -6.762 -9.384 2.936 1.00 0.22 C ATOM 271 C ALA A 18 -8.192 -9.820 2.608 1.00 0.21 C ATOM 272 O ALA A 18 -9.086 -9.007 2.489 1.00 0.24 O ATOM 273 CB ALA A 18 -6.150 -8.689 1.719 1.00 0.23 C ATOM 0 H ALA A 18 -5.220 -10.823 2.604 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.781 -8.697 3.782 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.748 -7.815 1.460 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.132 -8.376 1.952 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.133 -9.380 0.876 1.00 0.23 H new ATOM 279 N GLY A 19 -8.416 -11.098 2.461 1.00 0.22 N ATOM 280 CA GLY A 19 -9.789 -11.579 2.140 1.00 0.24 C ATOM 281 C GLY A 19 -10.116 -11.249 0.682 1.00 0.20 C ATOM 282 O GLY A 19 -9.529 -11.794 -0.232 1.00 0.28 O ATOM 0 H GLY A 19 -7.709 -11.828 2.549 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.857 -12.654 2.305 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.515 -11.108 2.803 1.00 0.24 H new ATOM 286 N ASP A 20 -11.051 -10.358 0.458 1.00 0.13 N ATOM 287 CA ASP A 20 -11.426 -9.983 -0.943 1.00 0.18 C ATOM 288 C ASP A 20 -11.607 -8.465 -1.038 1.00 0.15 C ATOM 289 O ASP A 20 -11.939 -7.937 -2.079 1.00 0.22 O ATOM 290 CB ASP A 20 -12.739 -10.673 -1.319 1.00 0.26 C ATOM 291 CG ASP A 20 -12.562 -12.190 -1.232 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.198 -12.664 -0.169 1.00 2.21 O ATOM 293 OD2 ASP A 20 -12.792 -12.853 -2.230 1.00 2.19 O ATOM 0 H ASP A 20 -11.573 -9.872 1.187 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.637 -10.298 -1.625 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.536 -10.350 -0.649 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.036 -10.388 -2.328 1.00 0.26 H new ATOM 298 N LYS A 21 -11.384 -7.757 0.036 1.00 0.12 N ATOM 299 CA LYS A 21 -11.539 -6.278 -0.005 1.00 0.19 C ATOM 300 C LYS A 21 -10.426 -5.683 -0.863 1.00 0.15 C ATOM 301 O LYS A 21 -9.503 -6.364 -1.259 1.00 0.15 O ATOM 302 CB LYS A 21 -11.432 -5.730 1.416 1.00 0.27 C ATOM 303 CG LYS A 21 -12.756 -5.941 2.150 1.00 0.29 C ATOM 304 CD LYS A 21 -12.551 -5.659 3.641 1.00 0.30 C ATOM 305 CE LYS A 21 -13.903 -5.464 4.332 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.552 -6.790 4.537 1.00 1.90 N ATOM 0 H LYS A 21 -11.102 -8.140 0.938 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.508 -6.015 -0.430 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.625 -6.232 1.950 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.185 -4.669 1.389 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.521 -5.279 1.744 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.108 -6.962 2.005 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.013 -6.486 4.105 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.937 -4.768 3.769 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.765 -4.963 5.290 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.544 -4.823 3.726 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.471 -6.658 5.006 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.697 -7.252 3.616 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.942 -7.387 5.131 1.00 1.90 H new ATOM 320 N LEU A 22 -10.501 -4.416 -1.149 1.00 0.13 N ATOM 321 CA LEU A 22 -9.437 -3.795 -1.975 1.00 0.11 C ATOM 322 C LEU A 22 -8.122 -3.866 -1.179 1.00 0.10 C ATOM 323 O LEU A 22 -8.132 -4.045 0.023 1.00 0.11 O ATOM 324 CB LEU A 22 -9.821 -2.326 -2.275 1.00 0.12 C ATOM 325 CG LEU A 22 -9.523 -1.942 -3.740 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.845 -0.446 -3.945 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.044 -2.211 -4.073 1.00 0.11 C ATOM 0 H LEU A 22 -11.247 -3.789 -0.849 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.317 -4.317 -2.924 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.881 -2.178 -2.069 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.271 -1.663 -1.607 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.142 -2.546 -4.404 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.637 -0.167 -4.978 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.898 -0.267 -3.726 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.228 0.154 -3.276 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.848 -1.936 -5.109 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.409 -1.619 -3.414 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.826 -3.270 -3.932 1.00 0.11 H new ATOM 339 N VAL A 23 -6.997 -3.725 -1.827 1.00 0.08 N ATOM 340 CA VAL A 23 -5.696 -3.782 -1.095 1.00 0.09 C ATOM 341 C VAL A 23 -4.712 -2.808 -1.741 1.00 0.08 C ATOM 342 O VAL A 23 -4.162 -3.071 -2.794 1.00 0.09 O ATOM 343 CB VAL A 23 -5.128 -5.204 -1.168 1.00 0.10 C ATOM 344 CG1 VAL A 23 -4.008 -5.363 -0.137 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.239 -6.215 -0.872 1.00 0.10 C ATOM 0 H VAL A 23 -6.921 -3.573 -2.833 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.852 -3.508 -0.052 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.730 -5.382 -2.167 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.605 -6.375 -0.190 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.215 -4.645 -0.347 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.405 -5.183 0.862 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.834 -7.226 -0.924 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.638 -6.035 0.126 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -7.036 -6.105 -1.607 1.00 0.10 H new ATOM 355 N VAL A 24 -4.479 -1.681 -1.111 1.00 0.08 N ATOM 356 CA VAL A 24 -3.524 -0.678 -1.673 1.00 0.08 C ATOM 357 C VAL A 24 -2.203 -0.779 -0.913 1.00 0.08 C ATOM 358 O VAL A 24 -2.165 -0.750 0.301 1.00 0.08 O ATOM 359 CB VAL A 24 -4.111 0.726 -1.527 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.336 1.703 -2.414 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.583 0.704 -1.944 1.00 0.09 C ATOM 0 H VAL A 24 -4.912 -1.413 -0.227 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.351 -0.876 -2.731 1.00 0.08 H new ATOM 0 HB VAL A 24 -4.033 1.048 -0.489 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.757 2.703 -2.308 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.289 1.716 -2.112 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.410 1.387 -3.455 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -6.005 1.704 -1.841 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.662 0.382 -2.982 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.132 0.011 -1.306 1.00 0.09 H new ATOM 371 N VAL A 25 -1.118 -0.921 -1.629 1.00 0.09 N ATOM 372 CA VAL A 25 0.223 -1.053 -0.980 1.00 0.09 C ATOM 373 C VAL A 25 1.004 0.244 -1.148 1.00 0.10 C ATOM 374 O VAL A 25 0.980 0.860 -2.192 1.00 0.17 O ATOM 375 CB VAL A 25 0.997 -2.184 -1.664 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.167 -2.621 -0.781 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.061 -3.372 -1.900 1.00 0.09 C ATOM 0 H VAL A 25 -1.103 -0.952 -2.648 1.00 0.09 H new ATOM 0 HA VAL A 25 0.093 -1.268 0.081 1.00 0.09 H new ATOM 0 HB VAL A 25 1.383 -1.829 -2.619 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.713 -3.426 -1.273 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.835 -1.775 -0.618 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.787 -2.974 0.178 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.611 -4.177 -2.387 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.328 -3.724 -0.945 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.767 -3.062 -2.537 1.00 0.09 H new ATOM 387 N ASP A 26 1.704 0.655 -0.125 1.00 0.08 N ATOM 388 CA ASP A 26 2.509 1.909 -0.202 1.00 0.08 C ATOM 389 C ASP A 26 3.998 1.557 -0.183 1.00 0.08 C ATOM 390 O ASP A 26 4.572 1.307 0.859 1.00 0.09 O ATOM 391 CB ASP A 26 2.181 2.794 1.003 1.00 0.09 C ATOM 392 CG ASP A 26 3.076 4.034 0.984 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.502 4.416 -0.093 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.319 4.581 2.047 1.00 0.96 O ATOM 0 H ASP A 26 1.753 0.170 0.771 1.00 0.08 H new ATOM 0 HA ASP A 26 2.272 2.442 -1.123 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.132 3.089 0.976 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.332 2.238 1.928 1.00 0.09 H new ATOM 399 N PHE A 27 4.634 1.547 -1.324 1.00 0.08 N ATOM 400 CA PHE A 27 6.087 1.225 -1.364 1.00 0.09 C ATOM 401 C PHE A 27 6.853 2.510 -1.070 1.00 0.11 C ATOM 402 O PHE A 27 7.357 3.161 -1.964 1.00 0.13 O ATOM 403 CB PHE A 27 6.466 0.739 -2.764 1.00 0.10 C ATOM 404 CG PHE A 27 6.035 -0.695 -2.967 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.697 -0.996 -3.294 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.979 -1.732 -2.846 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.307 -2.336 -3.497 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.588 -3.069 -3.052 1.00 0.21 C ATOM 409 CZ PHE A 27 5.253 -3.371 -3.377 1.00 0.23 C ATOM 0 H PHE A 27 4.209 1.748 -2.229 1.00 0.08 H new ATOM 0 HA PHE A 27 6.323 0.449 -0.636 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.996 1.375 -3.515 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.544 0.823 -2.904 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.972 -0.201 -3.389 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.004 -1.502 -2.595 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.282 -2.568 -3.745 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.314 -3.863 -2.960 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.954 -4.397 -3.534 1.00 0.23 H new ATOM 419 N SER A 28 6.931 2.888 0.177 1.00 0.11 N ATOM 420 CA SER A 28 7.645 4.146 0.546 1.00 0.12 C ATOM 421 C SER A 28 9.008 3.805 1.135 1.00 0.10 C ATOM 422 O SER A 28 9.509 2.709 0.983 1.00 0.11 O ATOM 423 CB SER A 28 6.820 4.898 1.592 1.00 0.17 C ATOM 424 OG SER A 28 5.523 5.151 1.071 1.00 1.03 O ATOM 0 H SER A 28 6.528 2.376 0.962 1.00 0.11 H new ATOM 0 HA SER A 28 7.777 4.766 -0.341 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.749 4.311 2.507 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.310 5.836 1.853 1.00 0.17 H new ATOM 0 HG SER A 28 4.884 5.232 1.809 1.00 1.03 H new ATOM 430 N ALA A 29 9.607 4.742 1.814 1.00 0.10 N ATOM 431 CA ALA A 29 10.944 4.497 2.434 1.00 0.15 C ATOM 432 C ALA A 29 10.983 5.164 3.812 1.00 0.18 C ATOM 433 O ALA A 29 10.705 6.338 3.960 1.00 0.26 O ATOM 434 CB ALA A 29 12.037 5.072 1.526 1.00 0.19 C ATOM 0 H ALA A 29 9.227 5.676 1.969 1.00 0.10 H new ATOM 0 HA ALA A 29 11.116 3.427 2.552 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.014 4.895 1.976 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.993 4.586 0.551 1.00 0.19 H new ATOM 0 HB3 ALA A 29 11.882 6.144 1.405 1.00 0.19 H new ATOM 440 N THR A 30 11.295 4.401 4.824 1.00 0.18 N ATOM 441 CA THR A 30 11.324 4.947 6.213 1.00 0.23 C ATOM 442 C THR A 30 12.426 5.999 6.381 1.00 0.26 C ATOM 443 O THR A 30 12.276 6.937 7.138 1.00 0.31 O ATOM 444 CB THR A 30 11.574 3.800 7.195 1.00 0.26 C ATOM 445 OG1 THR A 30 11.529 4.299 8.525 1.00 0.32 O ATOM 446 CG2 THR A 30 12.947 3.185 6.924 1.00 0.28 C ATOM 0 H THR A 30 11.534 3.412 4.748 1.00 0.18 H new ATOM 0 HA THR A 30 10.364 5.424 6.412 1.00 0.23 H new ATOM 0 HB THR A 30 10.806 3.037 7.067 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.687 3.565 9.155 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.124 2.368 7.624 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.979 2.802 5.904 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.718 3.945 7.051 1.00 0.28 H new ATOM 454 N TRP A 31 13.537 5.855 5.709 1.00 0.26 N ATOM 455 CA TRP A 31 14.634 6.859 5.877 1.00 0.32 C ATOM 456 C TRP A 31 14.418 8.040 4.938 1.00 0.32 C ATOM 457 O TRP A 31 15.008 9.089 5.104 1.00 0.36 O ATOM 458 CB TRP A 31 15.988 6.213 5.569 1.00 0.34 C ATOM 459 CG TRP A 31 16.041 5.745 4.151 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.858 4.466 3.750 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.310 6.518 2.949 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.998 4.402 2.375 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.270 5.641 1.832 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.579 7.886 2.717 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.489 6.108 0.527 1.00 0.32 C ATOM 466 CZ3 TRP A 31 16.801 8.358 1.409 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.755 7.471 0.315 1.00 0.40 C ATOM 0 H TRP A 31 13.734 5.095 5.057 1.00 0.26 H new ATOM 0 HA TRP A 31 14.624 7.212 6.908 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.788 6.931 5.750 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.156 5.372 6.241 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.638 3.630 4.398 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.911 3.544 1.830 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.615 8.574 3.549 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.453 5.424 -0.308 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.008 9.405 1.243 1.00 0.44 H new ATOM 0 HH2 TRP A 31 16.924 7.839 -0.686 1.00 0.40 H new ATOM 478 N CYS A 32 13.585 7.886 3.949 1.00 0.28 N ATOM 479 CA CYS A 32 13.349 9.003 2.992 1.00 0.30 C ATOM 480 C CYS A 32 12.155 9.846 3.455 1.00 0.31 C ATOM 481 O CYS A 32 11.093 9.337 3.755 1.00 0.29 O ATOM 482 CB CYS A 32 13.081 8.404 1.607 1.00 0.28 C ATOM 483 SG CYS A 32 13.670 9.543 0.328 1.00 0.32 S ATOM 0 H CYS A 32 13.056 7.034 3.761 1.00 0.28 H new ATOM 0 HA CYS A 32 14.223 9.653 2.947 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.585 7.442 1.512 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.014 8.219 1.480 1.00 0.28 H new ATOM 488 N GLY A 33 12.341 11.134 3.520 1.00 0.34 N ATOM 489 CA GLY A 33 11.250 12.042 3.971 1.00 0.36 C ATOM 490 C GLY A 33 10.125 12.139 2.926 1.00 0.35 C ATOM 491 O GLY A 33 8.990 11.856 3.240 1.00 0.33 O ATOM 0 H GLY A 33 13.214 11.602 3.277 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.841 11.680 4.914 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.658 13.035 4.161 1.00 0.36 H new ATOM 495 N PRO A 34 10.453 12.564 1.722 1.00 0.37 N ATOM 496 CA PRO A 34 9.445 12.736 0.655 1.00 0.38 C ATOM 497 C PRO A 34 8.494 11.535 0.566 1.00 0.35 C ATOM 498 O PRO A 34 7.313 11.692 0.333 1.00 0.36 O ATOM 499 CB PRO A 34 10.278 12.910 -0.634 1.00 0.42 C ATOM 500 CG PRO A 34 11.724 13.258 -0.186 1.00 0.44 C ATOM 501 CD PRO A 34 11.837 12.896 1.313 1.00 0.40 C ATOM 0 HA PRO A 34 8.792 13.589 0.840 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.266 11.997 -1.229 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.865 13.702 -1.258 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.454 12.700 -0.773 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.931 14.317 -0.343 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.509 12.052 1.467 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.233 13.729 1.893 1.00 0.40 H new ATOM 509 N ALA A 35 8.985 10.344 0.747 1.00 0.33 N ATOM 510 CA ALA A 35 8.082 9.163 0.665 1.00 0.32 C ATOM 511 C ALA A 35 7.263 9.069 1.954 1.00 0.39 C ATOM 512 O ALA A 35 6.050 9.142 1.942 1.00 0.81 O ATOM 513 CB ALA A 35 8.918 7.894 0.484 1.00 0.36 C ATOM 0 H ALA A 35 9.963 10.136 0.947 1.00 0.33 H new ATOM 0 HA ALA A 35 7.408 9.269 -0.185 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.258 7.029 0.424 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.501 7.970 -0.434 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.592 7.778 1.333 1.00 0.36 H new ATOM 519 N LYS A 36 7.923 8.918 3.065 1.00 0.30 N ATOM 520 CA LYS A 36 7.204 8.827 4.367 1.00 0.28 C ATOM 521 C LYS A 36 6.383 10.099 4.600 1.00 0.24 C ATOM 522 O LYS A 36 5.507 10.138 5.441 1.00 0.25 O ATOM 523 CB LYS A 36 8.240 8.664 5.484 1.00 0.35 C ATOM 524 CG LYS A 36 7.569 8.807 6.854 1.00 0.38 C ATOM 525 CD LYS A 36 8.523 8.307 7.943 1.00 0.49 C ATOM 526 CE LYS A 36 7.994 8.715 9.319 1.00 1.22 C ATOM 527 NZ LYS A 36 8.247 10.167 9.538 1.00 1.92 N ATOM 0 H LYS A 36 8.939 8.853 3.129 1.00 0.30 H new ATOM 0 HA LYS A 36 6.527 7.973 4.359 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.719 7.688 5.406 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.024 9.414 5.375 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.307 9.849 7.036 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.641 8.236 6.878 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.619 7.223 7.886 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.518 8.723 7.787 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.926 8.507 9.386 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.483 8.128 10.097 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.144 10.389 10.549 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.212 10.402 9.229 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.562 10.725 8.989 1.00 1.92 H new ATOM 541 N MET A 37 6.666 11.143 3.874 1.00 0.23 N ATOM 542 CA MET A 37 5.910 12.413 4.066 1.00 0.24 C ATOM 543 C MET A 37 4.420 12.188 3.777 1.00 0.20 C ATOM 544 O MET A 37 3.578 12.959 4.191 1.00 0.20 O ATOM 545 CB MET A 37 6.466 13.482 3.112 1.00 0.29 C ATOM 546 CG MET A 37 5.717 14.811 3.287 1.00 1.31 C ATOM 547 SD MET A 37 5.900 15.403 4.989 1.00 2.12 S ATOM 548 CE MET A 37 5.043 16.983 4.776 1.00 3.13 C ATOM 0 H MET A 37 7.389 11.173 3.155 1.00 0.23 H new ATOM 0 HA MET A 37 6.022 12.746 5.098 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.529 13.630 3.304 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.373 13.140 2.081 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.108 15.553 2.591 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.661 14.677 3.051 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.038 17.524 5.722 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.558 17.577 4.021 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.017 16.800 4.457 1.00 3.13 H new ATOM 558 N ILE A 38 4.088 11.151 3.051 1.00 0.18 N ATOM 559 CA ILE A 38 2.651 10.899 2.710 1.00 0.15 C ATOM 560 C ILE A 38 2.022 9.897 3.688 1.00 0.16 C ATOM 561 O ILE A 38 0.967 9.357 3.429 1.00 0.16 O ATOM 562 CB ILE A 38 2.576 10.341 1.282 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.625 11.053 0.418 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.177 10.585 0.691 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.409 10.708 -1.057 1.00 0.28 C ATOM 0 H ILE A 38 4.747 10.467 2.679 1.00 0.18 H new ATOM 0 HA ILE A 38 2.098 11.836 2.782 1.00 0.15 H new ATOM 0 HB ILE A 38 2.768 9.268 1.301 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.556 12.131 0.562 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.627 10.754 0.727 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.135 10.185 -0.322 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.429 10.087 1.309 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.974 11.656 0.667 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.158 11.218 -1.663 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.501 9.631 -1.196 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.414 11.029 -1.364 1.00 0.28 H new ATOM 577 N LYS A 39 2.644 9.625 4.809 1.00 0.19 N ATOM 578 CA LYS A 39 2.019 8.644 5.745 1.00 0.22 C ATOM 579 C LYS A 39 0.750 9.201 6.436 1.00 0.20 C ATOM 580 O LYS A 39 -0.127 8.433 6.749 1.00 0.21 O ATOM 581 CB LYS A 39 3.035 8.093 6.783 1.00 0.31 C ATOM 582 CG LYS A 39 3.272 9.057 7.972 1.00 0.34 C ATOM 583 CD LYS A 39 3.807 8.274 9.183 1.00 0.45 C ATOM 584 CE LYS A 39 2.745 7.289 9.716 1.00 1.16 C ATOM 585 NZ LYS A 39 3.068 5.914 9.236 1.00 1.62 N ATOM 0 H LYS A 39 3.532 10.027 5.110 1.00 0.19 H new ATOM 0 HA LYS A 39 1.698 7.805 5.127 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.674 7.138 7.164 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.985 7.899 6.285 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.983 9.832 7.687 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.341 9.559 8.235 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.706 7.727 8.899 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.093 8.969 9.973 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.725 7.312 10.806 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.753 7.584 9.373 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.220 5.487 8.811 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.825 5.964 8.524 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.384 5.332 10.038 1.00 1.62 H new ATOM 599 N PRO A 40 0.662 10.495 6.701 1.00 0.20 N ATOM 600 CA PRO A 40 -0.525 11.023 7.396 1.00 0.21 C ATOM 601 C PRO A 40 -1.774 10.850 6.523 1.00 0.17 C ATOM 602 O PRO A 40 -2.877 11.135 6.943 1.00 0.20 O ATOM 603 CB PRO A 40 -0.209 12.508 7.668 1.00 0.24 C ATOM 604 CG PRO A 40 1.235 12.773 7.155 1.00 0.25 C ATOM 605 CD PRO A 40 1.670 11.525 6.354 1.00 0.21 C ATOM 0 HA PRO A 40 -0.736 10.494 8.326 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.923 13.153 7.157 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.286 12.729 8.733 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.263 13.663 6.526 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.913 12.951 7.989 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.682 11.725 5.282 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.675 11.206 6.630 1.00 0.21 H new ATOM 613 N PHE A 41 -1.606 10.380 5.312 1.00 0.14 N ATOM 614 CA PHE A 41 -2.776 10.172 4.402 1.00 0.14 C ATOM 615 C PHE A 41 -2.990 8.672 4.207 1.00 0.11 C ATOM 616 O PHE A 41 -3.866 8.079 4.799 1.00 0.13 O ATOM 617 CB PHE A 41 -2.488 10.822 3.045 1.00 0.15 C ATOM 618 CG PHE A 41 -2.689 12.312 3.151 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.666 13.123 3.672 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.903 12.886 2.731 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.856 14.515 3.775 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.095 14.277 2.834 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.071 15.092 3.356 1.00 0.27 C ATOM 0 H PHE A 41 -0.702 10.129 4.911 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.668 10.622 4.838 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.467 10.603 2.734 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.149 10.408 2.283 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.735 12.679 3.993 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.687 12.260 2.330 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.071 15.139 4.175 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.027 14.719 2.513 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.218 16.159 3.435 1.00 0.27 H new ATOM 633 N PHE A 42 -2.188 8.066 3.377 1.00 0.10 N ATOM 634 CA PHE A 42 -2.317 6.604 3.108 1.00 0.11 C ATOM 635 C PHE A 42 -2.620 5.836 4.404 1.00 0.11 C ATOM 636 O PHE A 42 -3.612 5.142 4.502 1.00 0.12 O ATOM 637 CB PHE A 42 -1.001 6.108 2.503 1.00 0.13 C ATOM 638 CG PHE A 42 -1.028 4.607 2.367 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.741 4.019 1.309 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.336 3.798 3.290 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.763 2.621 1.171 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.360 2.397 3.152 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.074 1.808 2.091 1.00 0.10 C ATOM 0 H PHE A 42 -1.436 8.528 2.865 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.141 6.432 2.416 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.845 6.567 1.527 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.165 6.409 3.134 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.271 4.641 0.603 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.212 4.252 4.102 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.310 2.169 0.357 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.169 1.775 3.859 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.093 0.734 1.983 1.00 0.10 H new ATOM 653 N HIS A 43 -1.780 5.951 5.394 1.00 0.14 N ATOM 654 CA HIS A 43 -2.032 5.224 6.673 1.00 0.16 C ATOM 655 C HIS A 43 -3.275 5.803 7.371 1.00 0.16 C ATOM 656 O HIS A 43 -3.993 5.096 8.050 1.00 0.18 O ATOM 657 CB HIS A 43 -0.768 5.317 7.563 1.00 0.21 C ATOM 658 CG HIS A 43 -1.116 5.252 9.030 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.084 4.069 9.751 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.540 6.218 9.907 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.481 4.351 11.006 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.772 5.648 11.155 1.00 0.39 N ATOM 0 H HIS A 43 -0.931 6.516 5.375 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.234 4.171 6.477 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.086 4.504 7.314 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.243 6.249 7.354 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.673 7.262 9.665 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.555 3.619 11.797 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.094 6.118 12.001 1.00 0.39 H new ATOM 670 N SER A 44 -3.543 7.069 7.210 1.00 0.20 N ATOM 671 CA SER A 44 -4.746 7.656 7.869 1.00 0.25 C ATOM 672 C SER A 44 -6.022 7.029 7.285 1.00 0.20 C ATOM 673 O SER A 44 -6.962 6.746 8.001 1.00 0.21 O ATOM 674 CB SER A 44 -4.766 9.171 7.657 1.00 0.34 C ATOM 675 OG SER A 44 -3.881 9.782 8.586 1.00 0.97 O ATOM 0 H SER A 44 -2.987 7.719 6.655 1.00 0.20 H new ATOM 0 HA SER A 44 -4.705 7.446 8.938 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.466 9.412 6.637 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.777 9.556 7.791 1.00 0.34 H new ATOM 0 HG SER A 44 -3.512 10.602 8.196 1.00 0.97 H new ATOM 681 N LEU A 45 -6.068 6.812 5.995 1.00 0.18 N ATOM 682 CA LEU A 45 -7.293 6.207 5.388 1.00 0.18 C ATOM 683 C LEU A 45 -7.691 4.963 6.185 1.00 0.16 C ATOM 684 O LEU A 45 -8.796 4.471 6.075 1.00 0.23 O ATOM 685 CB LEU A 45 -7.016 5.801 3.934 1.00 0.19 C ATOM 686 CG LEU A 45 -6.562 7.013 3.110 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.283 6.564 1.673 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.658 8.094 3.109 1.00 0.50 C ATOM 0 H LEU A 45 -5.316 7.026 5.340 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.099 6.940 5.410 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.248 5.028 3.907 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.916 5.372 3.493 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.657 7.431 3.551 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.960 7.420 1.081 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.499 5.807 1.674 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.191 6.145 1.240 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.325 8.949 2.521 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.570 7.687 2.673 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.856 8.412 4.133 1.00 0.50 H new ATOM 700 N SER A 46 -6.800 4.450 6.986 1.00 0.20 N ATOM 701 CA SER A 46 -7.128 3.240 7.790 1.00 0.25 C ATOM 702 C SER A 46 -8.351 3.518 8.667 1.00 0.17 C ATOM 703 O SER A 46 -9.137 2.635 8.949 1.00 0.15 O ATOM 704 CB SER A 46 -5.938 2.878 8.678 1.00 0.36 C ATOM 705 OG SER A 46 -4.772 2.752 7.875 1.00 0.51 O ATOM 0 H SER A 46 -5.858 4.817 7.119 1.00 0.20 H new ATOM 0 HA SER A 46 -7.347 2.411 7.117 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.789 3.646 9.437 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.133 1.944 9.204 1.00 0.36 H new ATOM 0 HG SER A 46 -4.185 3.522 8.027 1.00 0.51 H new ATOM 711 N GLU A 47 -8.516 4.738 9.112 1.00 0.21 N ATOM 712 CA GLU A 47 -9.685 5.070 9.984 1.00 0.21 C ATOM 713 C GLU A 47 -10.833 5.624 9.138 1.00 0.18 C ATOM 714 O GLU A 47 -11.976 5.615 9.550 1.00 0.18 O ATOM 715 CB GLU A 47 -9.265 6.123 11.012 1.00 0.32 C ATOM 716 CG GLU A 47 -7.921 5.730 11.627 1.00 0.39 C ATOM 717 CD GLU A 47 -7.639 6.610 12.846 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.365 7.784 12.654 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.701 6.096 13.950 1.00 2.00 O ATOM 0 H GLU A 47 -7.892 5.519 8.909 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.019 4.165 10.491 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.187 7.100 10.536 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.022 6.208 11.791 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.936 4.680 11.919 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.125 5.844 10.891 1.00 0.39 H new ATOM 726 N LYS A 48 -10.546 6.109 7.961 1.00 0.18 N ATOM 727 CA LYS A 48 -11.631 6.666 7.097 1.00 0.17 C ATOM 728 C LYS A 48 -12.189 5.554 6.206 1.00 0.15 C ATOM 729 O LYS A 48 -13.285 5.651 5.688 1.00 0.18 O ATOM 730 CB LYS A 48 -11.052 7.795 6.229 1.00 0.21 C ATOM 731 CG LYS A 48 -12.188 8.691 5.699 1.00 0.26 C ATOM 732 CD LYS A 48 -11.613 9.978 5.074 1.00 1.09 C ATOM 733 CE LYS A 48 -11.185 9.723 3.625 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.384 9.752 2.742 1.00 2.16 N ATOM 0 H LYS A 48 -9.609 6.145 7.559 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.435 7.064 7.717 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.351 8.391 6.814 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.492 7.372 5.395 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.771 8.148 4.955 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.867 8.947 6.512 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.361 10.770 5.105 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.759 10.323 5.657 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -10.468 10.480 3.308 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.685 8.757 3.546 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.534 8.810 2.329 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.219 10.022 3.300 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.238 10.445 1.980 1.00 2.16 H new ATOM 748 N TYR A 49 -11.442 4.492 6.029 1.00 0.13 N ATOM 749 CA TYR A 49 -11.916 3.356 5.178 1.00 0.13 C ATOM 750 C TYR A 49 -11.596 2.033 5.876 1.00 0.11 C ATOM 751 O TYR A 49 -10.725 1.295 5.460 1.00 0.11 O ATOM 752 CB TYR A 49 -11.211 3.408 3.817 1.00 0.15 C ATOM 753 CG TYR A 49 -11.891 4.429 2.939 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.152 4.139 2.386 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.276 5.668 2.678 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.799 5.085 1.572 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.922 6.617 1.865 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.185 6.327 1.310 1.00 0.21 C ATOM 759 OH TYR A 49 -13.820 7.256 0.513 1.00 0.24 O ATOM 0 H TYR A 49 -10.518 4.362 6.440 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.993 3.434 5.028 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.161 3.668 3.949 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.240 2.427 3.342 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.623 3.188 2.587 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.308 5.890 3.102 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.766 4.861 1.147 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.450 7.568 1.666 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.261 8.057 0.435 1.00 0.24 H new ATOM 769 N SER A 50 -12.298 1.725 6.930 1.00 0.12 N ATOM 770 CA SER A 50 -12.040 0.448 7.649 1.00 0.13 C ATOM 771 C SER A 50 -12.453 -0.721 6.755 1.00 0.13 C ATOM 772 O SER A 50 -12.229 -1.872 7.074 1.00 0.14 O ATOM 773 CB SER A 50 -12.860 0.417 8.938 1.00 0.16 C ATOM 774 OG SER A 50 -14.238 0.276 8.614 1.00 0.17 O ATOM 0 H SER A 50 -13.040 2.303 7.325 1.00 0.12 H new ATOM 0 HA SER A 50 -10.980 0.369 7.892 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.536 -0.411 9.569 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.700 1.333 9.507 1.00 0.16 H new ATOM 0 HG SER A 50 -14.767 0.254 9.438 1.00 0.17 H new ATOM 780 N ASN A 51 -13.065 -0.432 5.635 1.00 0.13 N ATOM 781 CA ASN A 51 -13.509 -1.515 4.708 1.00 0.15 C ATOM 782 C ASN A 51 -12.454 -1.729 3.621 1.00 0.13 C ATOM 783 O ASN A 51 -12.669 -2.455 2.670 1.00 0.14 O ATOM 784 CB ASN A 51 -14.834 -1.104 4.066 1.00 0.17 C ATOM 785 CG ASN A 51 -15.461 -2.311 3.366 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.298 -2.988 3.928 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.089 -2.612 2.151 1.00 0.32 N ATOM 0 H ASN A 51 -13.277 0.515 5.321 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.640 -2.444 5.262 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.514 -0.718 4.826 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.668 -0.300 3.349 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.501 -3.415 1.675 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.386 -2.044 1.677 1.00 0.32 H new ATOM 794 N VAL A 52 -11.312 -1.101 3.760 1.00 0.11 N ATOM 795 CA VAL A 52 -10.218 -1.254 2.748 1.00 0.10 C ATOM 796 C VAL A 52 -8.956 -1.748 3.453 1.00 0.10 C ATOM 797 O VAL A 52 -8.688 -1.403 4.587 1.00 0.11 O ATOM 798 CB VAL A 52 -9.928 0.101 2.108 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.764 -0.030 1.122 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.179 0.596 1.376 1.00 0.12 C ATOM 0 H VAL A 52 -11.088 -0.482 4.539 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.523 -1.966 1.981 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.656 0.818 2.883 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.561 0.940 0.668 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.876 -0.376 1.651 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -9.025 -0.747 0.344 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.974 1.564 0.918 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.455 -0.120 0.602 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -12.000 0.697 2.086 1.00 0.12 H new ATOM 810 N ILE A 53 -8.180 -2.562 2.790 1.00 0.09 N ATOM 811 CA ILE A 53 -6.932 -3.097 3.412 1.00 0.09 C ATOM 812 C ILE A 53 -5.732 -2.271 2.935 1.00 0.09 C ATOM 813 O ILE A 53 -5.563 -2.033 1.756 1.00 0.14 O ATOM 814 CB ILE A 53 -6.746 -4.551 2.973 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.079 -5.315 3.082 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.664 -5.226 3.824 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.798 -5.032 4.413 1.00 0.17 C ATOM 0 H ILE A 53 -8.357 -2.882 1.838 1.00 0.09 H new ATOM 0 HA ILE A 53 -7.006 -3.040 4.498 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.425 -4.567 1.931 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.727 -5.033 2.252 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.892 -6.385 2.991 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.541 -6.260 3.502 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.721 -4.693 3.703 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.960 -5.205 4.873 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.733 -5.591 4.447 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.161 -5.339 5.243 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -9.010 -3.966 4.493 1.00 0.17 H new ATOM 829 N PHE A 54 -4.897 -1.836 3.848 1.00 0.08 N ATOM 830 CA PHE A 54 -3.694 -1.023 3.472 1.00 0.08 C ATOM 831 C PHE A 54 -2.431 -1.769 3.897 1.00 0.08 C ATOM 832 O PHE A 54 -2.324 -2.242 5.010 1.00 0.11 O ATOM 833 CB PHE A 54 -3.751 0.323 4.195 1.00 0.08 C ATOM 834 CG PHE A 54 -4.959 1.092 3.716 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.983 1.612 2.409 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.063 1.285 4.570 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.109 2.327 1.954 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.190 1.999 4.115 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.212 2.519 2.807 1.00 0.09 C ATOM 0 H PHE A 54 -4.998 -2.011 4.848 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.681 -0.861 2.394 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.807 0.169 5.273 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.842 0.892 4.001 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.138 1.463 1.754 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.046 0.886 5.573 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.126 2.727 0.951 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.036 2.147 4.770 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.076 3.066 2.458 1.00 0.09 H new ATOM 849 N LEU A 55 -1.472 -1.885 3.015 1.00 0.08 N ATOM 850 CA LEU A 55 -0.199 -2.603 3.348 1.00 0.09 C ATOM 851 C LEU A 55 0.955 -1.595 3.322 1.00 0.09 C ATOM 852 O LEU A 55 0.792 -0.460 2.919 1.00 0.10 O ATOM 853 CB LEU A 55 0.066 -3.696 2.298 1.00 0.10 C ATOM 854 CG LEU A 55 -0.745 -4.968 2.604 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.235 -4.632 2.792 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.573 -5.948 1.435 1.00 0.12 C ATOM 0 H LEU A 55 -1.515 -1.510 2.067 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.280 -3.059 4.334 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.196 -3.324 1.307 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.129 -3.935 2.278 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.382 -5.416 3.529 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.790 -5.545 3.007 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.349 -3.934 3.622 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.623 -4.178 1.880 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.142 -6.856 1.635 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.937 -5.487 0.517 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.482 -6.198 1.322 1.00 0.12 H new ATOM 868 N GLU A 56 2.122 -2.005 3.739 1.00 0.09 N ATOM 869 CA GLU A 56 3.297 -1.082 3.731 1.00 0.09 C ATOM 870 C GLU A 56 4.543 -1.896 3.378 1.00 0.09 C ATOM 871 O GLU A 56 4.687 -3.029 3.795 1.00 0.10 O ATOM 872 CB GLU A 56 3.460 -0.443 5.118 1.00 0.09 C ATOM 873 CG GLU A 56 4.352 0.800 5.020 1.00 0.11 C ATOM 874 CD GLU A 56 4.324 1.556 6.350 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.409 1.323 7.123 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.217 2.357 6.575 1.00 1.31 O ATOM 0 H GLU A 56 2.315 -2.944 4.087 1.00 0.09 H new ATOM 0 HA GLU A 56 3.152 -0.288 2.998 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.484 -0.170 5.519 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.899 -1.162 5.810 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.374 0.509 4.777 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.005 1.447 4.215 1.00 0.11 H new ATOM 883 N VAL A 57 5.434 -1.340 2.594 1.00 0.08 N ATOM 884 CA VAL A 57 6.665 -2.094 2.192 1.00 0.08 C ATOM 885 C VAL A 57 7.894 -1.185 2.302 1.00 0.09 C ATOM 886 O VAL A 57 7.876 -0.035 1.896 1.00 0.14 O ATOM 887 CB VAL A 57 6.514 -2.571 0.738 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.858 -3.097 0.218 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.468 -3.691 0.662 1.00 0.09 C ATOM 0 H VAL A 57 5.363 -0.396 2.214 1.00 0.08 H new ATOM 0 HA VAL A 57 6.793 -2.951 2.853 1.00 0.08 H new ATOM 0 HB VAL A 57 6.191 -1.730 0.124 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.743 -3.433 -0.813 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.601 -2.301 0.259 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.186 -3.932 0.837 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.366 -4.024 -0.371 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.785 -4.528 1.284 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.508 -3.317 1.019 1.00 0.09 H new ATOM 899 N ASP A 58 8.969 -1.714 2.833 1.00 0.09 N ATOM 900 CA ASP A 58 10.228 -0.924 2.967 1.00 0.09 C ATOM 901 C ASP A 58 11.154 -1.291 1.803 1.00 0.10 C ATOM 902 O ASP A 58 11.819 -2.308 1.821 1.00 0.11 O ATOM 903 CB ASP A 58 10.905 -1.272 4.300 1.00 0.11 C ATOM 904 CG ASP A 58 11.920 -0.187 4.661 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.018 -0.235 4.135 1.00 1.06 O ATOM 906 OD2 ASP A 58 11.583 0.673 5.458 1.00 1.08 O ATOM 0 H ASP A 58 9.026 -2.671 3.183 1.00 0.09 H new ATOM 0 HA ASP A 58 10.011 0.144 2.947 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.156 -1.360 5.087 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.403 -2.239 4.225 1.00 0.11 H new ATOM 911 N VAL A 59 11.185 -0.481 0.783 1.00 0.12 N ATOM 912 CA VAL A 59 12.049 -0.786 -0.396 1.00 0.15 C ATOM 913 C VAL A 59 13.525 -0.840 0.012 1.00 0.18 C ATOM 914 O VAL A 59 14.377 -1.173 -0.786 1.00 0.27 O ATOM 915 CB VAL A 59 11.854 0.302 -1.457 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.410 0.279 -1.953 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.151 1.676 -0.852 1.00 0.22 C ATOM 0 H VAL A 59 10.648 0.383 0.713 1.00 0.12 H new ATOM 0 HA VAL A 59 11.764 -1.758 -0.798 1.00 0.15 H new ATOM 0 HB VAL A 59 12.534 0.114 -2.288 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.272 1.053 -2.708 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.190 -0.696 -2.389 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.735 0.463 -1.117 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.011 2.446 -1.611 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.473 1.861 -0.018 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.181 1.702 -0.495 1.00 0.22 H new ATOM 927 N ASP A 60 13.845 -0.507 1.240 1.00 0.16 N ATOM 928 CA ASP A 60 15.280 -0.522 1.677 1.00 0.18 C ATOM 929 C ASP A 60 15.607 -1.838 2.391 1.00 0.17 C ATOM 930 O ASP A 60 16.608 -2.469 2.114 1.00 0.18 O ATOM 931 CB ASP A 60 15.536 0.653 2.632 1.00 0.21 C ATOM 932 CG ASP A 60 14.787 1.895 2.148 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.920 2.226 0.982 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.105 2.502 2.956 1.00 1.11 O ATOM 0 H ASP A 60 13.177 -0.226 1.958 1.00 0.16 H new ATOM 0 HA ASP A 60 15.917 -0.430 0.797 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.210 0.391 3.639 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.605 0.861 2.687 1.00 0.21 H new ATOM 939 N ASP A 61 14.784 -2.249 3.316 1.00 0.17 N ATOM 940 CA ASP A 61 15.057 -3.517 4.062 1.00 0.17 C ATOM 941 C ASP A 61 14.290 -4.676 3.409 1.00 0.16 C ATOM 942 O ASP A 61 14.581 -5.831 3.650 1.00 0.18 O ATOM 943 CB ASP A 61 14.614 -3.323 5.520 1.00 0.19 C ATOM 944 CG ASP A 61 14.402 -4.677 6.209 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.283 -5.515 6.111 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.360 -4.851 6.822 1.00 1.12 O ATOM 0 H ASP A 61 13.931 -1.762 3.590 1.00 0.17 H new ATOM 0 HA ASP A 61 16.120 -3.757 4.034 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.367 -2.749 6.060 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.690 -2.746 5.550 1.00 0.19 H new ATOM 951 N ALA A 62 13.318 -4.376 2.580 1.00 0.16 N ATOM 952 CA ALA A 62 12.529 -5.454 1.896 1.00 0.16 C ATOM 953 C ALA A 62 12.818 -5.408 0.393 1.00 0.16 C ATOM 954 O ALA A 62 11.925 -5.494 -0.426 1.00 0.15 O ATOM 955 CB ALA A 62 11.034 -5.224 2.140 1.00 0.17 C ATOM 0 H ALA A 62 13.035 -3.425 2.346 1.00 0.16 H new ATOM 0 HA ALA A 62 12.812 -6.429 2.294 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.460 -6.006 1.644 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.832 -5.249 3.211 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.745 -4.252 1.739 1.00 0.17 H new ATOM 961 N GLN A 63 14.064 -5.267 0.028 1.00 0.20 N ATOM 962 CA GLN A 63 14.424 -5.206 -1.418 1.00 0.22 C ATOM 963 C GLN A 63 13.882 -6.440 -2.144 1.00 0.20 C ATOM 964 O GLN A 63 13.836 -6.482 -3.358 1.00 0.20 O ATOM 965 CB GLN A 63 15.946 -5.161 -1.561 1.00 0.29 C ATOM 966 CG GLN A 63 16.522 -4.142 -0.576 1.00 0.90 C ATOM 967 CD GLN A 63 17.979 -3.852 -0.938 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.478 -2.774 -0.678 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.687 -4.772 -1.532 1.00 2.22 N ATOM 0 H GLN A 63 14.851 -5.191 0.672 1.00 0.20 H new ATOM 0 HA GLN A 63 13.986 -4.310 -1.858 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.369 -6.147 -1.369 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.218 -4.890 -2.581 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.939 -3.222 -0.605 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.459 -4.527 0.442 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.268 -5.676 -1.750 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.659 -4.587 -1.779 1.00 2.22 H new ATOM 978 N ASP A 64 13.472 -7.444 -1.420 1.00 0.19 N ATOM 979 CA ASP A 64 12.938 -8.664 -2.085 1.00 0.20 C ATOM 980 C ASP A 64 11.589 -8.337 -2.724 1.00 0.17 C ATOM 981 O ASP A 64 11.289 -8.764 -3.821 1.00 0.19 O ATOM 982 CB ASP A 64 12.767 -9.774 -1.045 1.00 0.22 C ATOM 983 CG ASP A 64 12.210 -9.181 0.251 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.961 -8.517 0.946 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.041 -9.401 0.526 1.00 1.09 O ATOM 0 H ASP A 64 13.484 -7.472 -0.400 1.00 0.19 H new ATOM 0 HA ASP A 64 13.631 -9.000 -2.856 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.093 -10.542 -1.425 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.725 -10.258 -0.853 1.00 0.22 H new ATOM 990 N VAL A 65 10.774 -7.575 -2.050 1.00 0.15 N ATOM 991 CA VAL A 65 9.452 -7.215 -2.627 1.00 0.16 C ATOM 992 C VAL A 65 9.669 -6.192 -3.743 1.00 0.16 C ATOM 993 O VAL A 65 9.131 -6.312 -4.825 1.00 0.19 O ATOM 994 CB VAL A 65 8.566 -6.611 -1.533 1.00 0.16 C ATOM 995 CG1 VAL A 65 7.105 -6.621 -1.989 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.702 -7.439 -0.253 1.00 0.18 C ATOM 0 H VAL A 65 10.967 -7.187 -1.126 1.00 0.15 H new ATOM 0 HA VAL A 65 8.963 -8.102 -3.030 1.00 0.16 H new ATOM 0 HB VAL A 65 8.879 -5.585 -1.341 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.477 -6.191 -1.209 1.00 0.19 H new ATOM 0 HG12 VAL A 65 7.004 -6.033 -2.901 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.791 -7.647 -2.183 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.072 -7.010 0.526 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.390 -8.465 -0.448 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.741 -7.432 0.076 1.00 0.18 H new ATOM 1006 N ALA A 66 10.464 -5.191 -3.485 1.00 0.16 N ATOM 1007 CA ALA A 66 10.734 -4.161 -4.525 1.00 0.18 C ATOM 1008 C ALA A 66 11.464 -4.810 -5.703 1.00 0.19 C ATOM 1009 O ALA A 66 11.268 -4.446 -6.845 1.00 0.20 O ATOM 1010 CB ALA A 66 11.608 -3.056 -3.931 1.00 0.22 C ATOM 0 H ALA A 66 10.940 -5.042 -2.595 1.00 0.16 H new ATOM 0 HA ALA A 66 9.792 -3.734 -4.870 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.807 -2.301 -4.692 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.091 -2.596 -3.089 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.551 -3.482 -3.588 1.00 0.22 H new ATOM 1016 N SER A 67 12.310 -5.767 -5.432 1.00 0.21 N ATOM 1017 CA SER A 67 13.057 -6.437 -6.532 1.00 0.26 C ATOM 1018 C SER A 67 12.073 -7.168 -7.447 1.00 0.26 C ATOM 1019 O SER A 67 12.088 -7.001 -8.651 1.00 0.29 O ATOM 1020 CB SER A 67 14.044 -7.444 -5.941 1.00 0.31 C ATOM 1021 OG SER A 67 15.123 -6.742 -5.336 1.00 1.29 O ATOM 0 H SER A 67 12.515 -6.113 -4.495 1.00 0.21 H new ATOM 0 HA SER A 67 13.602 -5.688 -7.107 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.544 -8.072 -5.203 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.418 -8.106 -6.722 1.00 0.31 H new ATOM 0 HG SER A 67 14.790 -6.223 -4.575 1.00 1.29 H new ATOM 1027 N GLU A 68 11.217 -7.978 -6.887 1.00 0.26 N ATOM 1028 CA GLU A 68 10.234 -8.719 -7.725 1.00 0.30 C ATOM 1029 C GLU A 68 9.305 -7.723 -8.422 1.00 0.31 C ATOM 1030 O GLU A 68 8.914 -7.915 -9.556 1.00 0.36 O ATOM 1031 CB GLU A 68 9.417 -9.663 -6.834 1.00 0.31 C ATOM 1032 CG GLU A 68 8.265 -10.295 -7.637 1.00 0.39 C ATOM 1033 CD GLU A 68 7.064 -9.341 -7.697 1.00 1.43 C ATOM 1034 OE1 GLU A 68 7.099 -8.322 -7.027 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.127 -9.649 -8.415 1.00 2.20 O ATOM 0 H GLU A 68 11.156 -8.158 -5.885 1.00 0.26 H new ATOM 0 HA GLU A 68 10.760 -9.304 -8.480 1.00 0.30 H new ATOM 0 HB2 GLU A 68 10.062 -10.445 -6.434 1.00 0.31 H new ATOM 0 HB3 GLU A 68 9.017 -9.114 -5.982 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.603 -10.528 -8.647 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.966 -11.236 -7.176 1.00 0.39 H new ATOM 1042 N ALA A 69 8.945 -6.658 -7.754 1.00 0.29 N ATOM 1043 CA ALA A 69 8.040 -5.649 -8.383 1.00 0.31 C ATOM 1044 C ALA A 69 8.876 -4.629 -9.160 1.00 0.29 C ATOM 1045 O ALA A 69 8.352 -3.751 -9.816 1.00 0.33 O ATOM 1046 CB ALA A 69 7.245 -4.932 -7.291 1.00 0.31 C ATOM 0 H ALA A 69 9.238 -6.443 -6.801 1.00 0.29 H new ATOM 0 HA ALA A 69 7.353 -6.149 -9.065 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.584 -4.195 -7.747 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.651 -5.659 -6.737 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.933 -4.430 -6.610 1.00 0.31 H new ATOM 1052 N GLU A 70 10.174 -4.745 -9.093 1.00 0.27 N ATOM 1053 CA GLU A 70 11.054 -3.793 -9.830 1.00 0.29 C ATOM 1054 C GLU A 70 10.584 -2.353 -9.603 1.00 0.25 C ATOM 1055 O GLU A 70 10.301 -1.629 -10.536 1.00 0.26 O ATOM 1056 CB GLU A 70 11.010 -4.114 -11.324 1.00 0.38 C ATOM 1057 CG GLU A 70 11.258 -5.608 -11.532 1.00 1.18 C ATOM 1058 CD GLU A 70 11.272 -5.920 -13.029 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.088 -5.340 -13.727 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.467 -6.732 -13.453 1.00 2.06 O ATOM 0 H GLU A 70 10.665 -5.461 -8.558 1.00 0.27 H new ATOM 0 HA GLU A 70 12.075 -3.894 -9.461 1.00 0.29 H new ATOM 0 HB2 GLU A 70 10.042 -3.834 -11.739 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.764 -3.532 -11.854 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.208 -5.896 -11.081 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.480 -6.189 -11.036 1.00 1.18 H new ATOM 1067 N VAL A 71 10.511 -1.926 -8.371 1.00 0.22 N ATOM 1068 CA VAL A 71 10.075 -0.528 -8.086 1.00 0.19 C ATOM 1069 C VAL A 71 11.251 0.417 -8.347 1.00 0.23 C ATOM 1070 O VAL A 71 12.314 0.265 -7.775 1.00 0.28 O ATOM 1071 CB VAL A 71 9.641 -0.423 -6.626 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.081 0.973 -6.368 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.556 -1.464 -6.341 1.00 0.19 C ATOM 0 H VAL A 71 10.735 -2.486 -7.548 1.00 0.22 H new ATOM 0 HA VAL A 71 9.237 -0.257 -8.728 1.00 0.19 H new ATOM 0 HB VAL A 71 10.497 -0.602 -5.976 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.769 1.053 -5.327 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.850 1.717 -6.575 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.223 1.147 -7.018 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.245 -1.390 -5.299 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.698 -1.283 -6.989 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.950 -2.462 -6.532 1.00 0.19 H new ATOM 1083 N LYS A 72 11.079 1.383 -9.220 1.00 0.24 N ATOM 1084 CA LYS A 72 12.195 2.336 -9.544 1.00 0.29 C ATOM 1085 C LYS A 72 11.863 3.745 -9.042 1.00 0.26 C ATOM 1086 O LYS A 72 12.649 4.661 -9.189 1.00 0.27 O ATOM 1087 CB LYS A 72 12.386 2.382 -11.062 1.00 0.35 C ATOM 1088 CG LYS A 72 12.580 0.962 -11.601 1.00 0.43 C ATOM 1089 CD LYS A 72 13.117 1.029 -13.032 1.00 1.16 C ATOM 1090 CE LYS A 72 13.034 -0.355 -13.677 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.507 -0.273 -15.088 1.00 2.40 N ATOM 0 H LYS A 72 10.210 1.554 -9.725 1.00 0.24 H new ATOM 0 HA LYS A 72 13.106 1.992 -9.054 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.519 2.845 -11.533 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.251 2.997 -11.311 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.275 0.412 -10.966 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.634 0.421 -11.581 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.540 1.748 -13.614 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.150 1.378 -13.028 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.643 -1.066 -13.118 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.008 -0.722 -13.647 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.451 -1.214 -15.528 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.908 0.393 -15.617 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.492 0.059 -15.105 1.00 2.40 H new ATOM 1105 N ALA A 73 10.713 3.939 -8.453 1.00 0.22 N ATOM 1106 CA ALA A 73 10.352 5.303 -7.953 1.00 0.20 C ATOM 1107 C ALA A 73 9.410 5.172 -6.752 1.00 0.18 C ATOM 1108 O ALA A 73 8.423 4.476 -6.814 1.00 0.16 O ATOM 1109 CB ALA A 73 9.664 6.094 -9.088 1.00 0.21 C ATOM 0 H ALA A 73 10.009 3.218 -8.296 1.00 0.22 H new ATOM 0 HA ALA A 73 11.251 5.835 -7.641 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.399 7.089 -8.729 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.345 6.183 -9.934 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.762 5.569 -9.402 1.00 0.21 H new ATOM 1115 N THR A 74 9.705 5.847 -5.665 1.00 0.18 N ATOM 1116 CA THR A 74 8.823 5.774 -4.453 1.00 0.17 C ATOM 1117 C THR A 74 8.215 7.165 -4.201 1.00 0.17 C ATOM 1118 O THR A 74 8.844 8.154 -4.516 1.00 0.19 O ATOM 1119 CB THR A 74 9.675 5.384 -3.228 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.840 6.197 -3.202 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.102 3.899 -3.285 1.00 0.19 C ATOM 0 H THR A 74 10.523 6.448 -5.564 1.00 0.18 H new ATOM 0 HA THR A 74 8.037 5.036 -4.612 1.00 0.17 H new ATOM 0 HB THR A 74 9.075 5.533 -2.331 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.388 5.958 -2.426 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.701 3.659 -2.407 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.215 3.266 -3.304 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.692 3.724 -4.185 1.00 0.19 H new ATOM 1129 N PRO A 75 7.032 7.230 -3.613 1.00 0.17 N ATOM 1130 CA PRO A 75 6.220 6.055 -3.207 1.00 0.16 C ATOM 1131 C PRO A 75 5.517 5.445 -4.438 1.00 0.14 C ATOM 1132 O PRO A 75 5.089 6.157 -5.325 1.00 0.14 O ATOM 1133 CB PRO A 75 5.172 6.639 -2.231 1.00 0.17 C ATOM 1134 CG PRO A 75 5.220 8.188 -2.378 1.00 0.20 C ATOM 1135 CD PRO A 75 6.428 8.530 -3.276 1.00 0.19 C ATOM 0 HA PRO A 75 6.820 5.264 -2.757 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.177 6.261 -2.464 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.394 6.343 -1.206 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.296 8.560 -2.820 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.321 8.663 -1.402 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.114 9.064 -4.173 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.138 9.172 -2.755 1.00 0.19 H new ATOM 1143 N THR A 76 5.373 4.137 -4.482 1.00 0.13 N ATOM 1144 CA THR A 76 4.670 3.480 -5.639 1.00 0.12 C ATOM 1145 C THR A 76 3.398 2.830 -5.108 1.00 0.12 C ATOM 1146 O THR A 76 3.452 1.885 -4.345 1.00 0.18 O ATOM 1147 CB THR A 76 5.562 2.390 -6.264 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.904 2.832 -6.262 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.124 2.115 -7.710 1.00 0.13 C ATOM 0 H THR A 76 5.712 3.495 -3.766 1.00 0.13 H new ATOM 0 HA THR A 76 4.444 4.226 -6.401 1.00 0.12 H new ATOM 0 HB THR A 76 5.469 1.473 -5.682 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.982 3.643 -6.806 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.761 1.343 -8.143 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.088 1.777 -7.718 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.212 3.029 -8.297 1.00 0.13 H new ATOM 1157 N PHE A 77 2.249 3.311 -5.497 1.00 0.09 N ATOM 1158 CA PHE A 77 0.996 2.687 -4.991 1.00 0.09 C ATOM 1159 C PHE A 77 0.608 1.538 -5.905 1.00 0.09 C ATOM 1160 O PHE A 77 0.413 1.705 -7.091 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.135 3.709 -4.949 1.00 0.10 C ATOM 1162 CG PHE A 77 0.146 4.703 -3.856 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.166 4.376 -2.524 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.713 5.954 -4.163 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.091 5.300 -1.495 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.971 6.880 -3.136 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.661 6.556 -1.801 1.00 0.12 C ATOM 0 H PHE A 77 2.125 4.098 -6.134 1.00 0.09 H new ATOM 0 HA PHE A 77 1.168 2.319 -3.980 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.219 4.218 -5.909 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.087 3.210 -4.769 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.603 3.416 -2.291 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.950 6.203 -5.187 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.147 5.050 -0.472 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.407 7.840 -3.371 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.859 7.267 -1.012 1.00 0.12 H new ATOM 1177 N GLN A 78 0.497 0.368 -5.343 1.00 0.07 N ATOM 1178 CA GLN A 78 0.122 -0.835 -6.129 1.00 0.07 C ATOM 1179 C GLN A 78 -1.195 -1.358 -5.567 1.00 0.06 C ATOM 1180 O GLN A 78 -1.364 -1.478 -4.370 1.00 0.07 O ATOM 1181 CB GLN A 78 1.221 -1.886 -5.969 1.00 0.08 C ATOM 1182 CG GLN A 78 2.580 -1.250 -6.261 1.00 0.12 C ATOM 1183 CD GLN A 78 3.632 -2.348 -6.425 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.307 -3.519 -6.441 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.889 -2.018 -6.547 1.00 1.03 N ATOM 0 H GLN A 78 0.654 0.193 -4.350 1.00 0.07 H new ATOM 0 HA GLN A 78 0.009 -0.602 -7.188 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.207 -2.291 -4.957 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.044 -2.719 -6.649 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.524 -0.647 -7.167 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.862 -0.580 -5.449 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.162 -1.035 -6.534 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.598 -2.743 -6.656 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.143 -1.637 -6.422 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.476 -2.118 -5.950 1.00 0.07 C ATOM 1196 C PHE A 79 -3.626 -3.601 -6.258 1.00 0.07 C ATOM 1197 O PHE A 79 -3.534 -4.027 -7.393 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.569 -1.325 -6.673 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.494 0.121 -6.237 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.414 0.916 -6.646 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.489 0.665 -5.409 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.322 2.259 -6.234 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.402 2.005 -4.987 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.319 2.803 -5.400 1.00 0.11 C ATOM 0 H PHE A 79 -2.051 -1.552 -7.434 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.563 -1.972 -4.873 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.438 -1.401 -7.752 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.551 -1.738 -6.441 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.648 0.496 -7.281 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.323 0.054 -5.095 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.491 2.869 -6.556 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.166 2.420 -4.347 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.252 3.832 -5.078 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.863 -4.390 -5.242 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.032 -5.860 -5.431 1.00 0.08 C ATOM 1216 C PHE A 80 -5.410 -6.264 -4.921 1.00 0.11 C ATOM 1217 O PHE A 80 -6.014 -5.578 -4.120 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.964 -6.610 -4.629 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.622 -6.473 -5.309 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.284 -7.317 -6.385 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.705 -5.504 -4.863 1.00 0.09 C ATOM 1222 CE1 PHE A 80 -0.029 -7.190 -7.013 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.549 -5.375 -5.492 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.887 -6.218 -6.566 1.00 0.14 C ATOM 0 H PHE A 80 -3.948 -4.072 -4.276 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.931 -6.108 -6.488 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.911 -6.212 -3.616 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.233 -7.663 -4.544 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.987 -8.062 -6.729 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.963 -4.858 -4.037 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.230 -7.838 -7.837 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.251 -4.629 -5.150 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.849 -6.120 -7.048 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.912 -7.375 -5.372 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.250 -7.827 -4.907 1.00 0.14 C ATOM 1236 C LYS A 81 -7.303 -9.341 -5.057 1.00 0.14 C ATOM 1237 O LYS A 81 -7.083 -9.867 -6.126 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.343 -7.163 -5.761 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.687 -7.189 -5.019 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.697 -6.302 -5.756 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.948 -6.117 -4.894 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.686 -7.409 -4.809 1.00 1.48 N ATOM 0 H LYS A 81 -5.454 -7.991 -6.043 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.416 -7.548 -3.866 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.064 -6.134 -5.986 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.436 -7.683 -6.714 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.061 -8.211 -4.959 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.556 -6.836 -3.996 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.250 -5.333 -5.978 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.965 -6.755 -6.710 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.669 -5.779 -3.896 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.589 -5.347 -5.324 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.694 -7.246 -5.004 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.301 -8.075 -5.508 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.578 -7.808 -3.855 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.563 -10.043 -3.992 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.601 -11.529 -4.074 1.00 0.20 C ATOM 1258 C LYS A 82 -6.269 -12.036 -4.636 1.00 0.20 C ATOM 1259 O LYS A 82 -6.212 -13.052 -5.300 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.755 -11.971 -4.987 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.080 -11.912 -4.220 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.212 -12.470 -5.090 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.323 -11.675 -6.401 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.384 -12.244 -7.407 1.00 1.67 N ATOM 0 H LYS A 82 -7.751 -9.653 -3.068 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.759 -11.946 -3.079 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.804 -11.326 -5.864 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.578 -12.985 -5.346 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.002 -12.487 -3.297 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.301 -10.883 -3.937 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -11.026 -13.521 -5.310 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.155 -12.420 -4.546 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.345 -11.715 -6.778 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.090 -10.625 -6.223 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.663 -11.535 -7.649 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.922 -13.088 -7.012 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.911 -12.507 -8.264 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.197 -11.341 -4.365 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.868 -11.787 -4.872 1.00 0.21 C ATOM 1280 C GLY A 83 -3.703 -11.389 -6.339 1.00 0.19 C ATOM 1281 O GLY A 83 -2.743 -11.765 -6.982 1.00 0.22 O ATOM 0 H GLY A 83 -5.185 -10.483 -3.814 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.074 -11.340 -4.275 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.775 -12.868 -4.768 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.636 -10.640 -6.878 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.542 -10.222 -8.320 1.00 0.17 C ATOM 1287 C GLN A 84 -4.289 -8.713 -8.430 1.00 0.16 C ATOM 1288 O GLN A 84 -4.794 -7.932 -7.655 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.861 -10.558 -9.024 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.942 -12.065 -9.273 1.00 0.23 C ATOM 1291 CD GLN A 84 -5.018 -12.431 -10.434 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.969 -13.570 -10.853 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -4.277 -11.501 -10.969 1.00 2.08 N ATOM 0 H GLN A 84 -5.460 -10.298 -6.384 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.713 -10.754 -8.787 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.704 -10.235 -8.413 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.928 -10.019 -9.969 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.652 -12.611 -8.375 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.968 -12.353 -9.503 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.322 -10.546 -10.614 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.653 -11.729 -11.743 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.515 -8.301 -9.403 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.231 -6.845 -9.579 1.00 0.17 C ATOM 1304 C LYS A 85 -4.355 -6.205 -10.394 1.00 0.16 C ATOM 1305 O LYS A 85 -4.888 -6.807 -11.307 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.902 -6.662 -10.316 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.615 -5.163 -10.488 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.122 -4.945 -10.767 1.00 0.30 C ATOM 1309 CE LYS A 85 0.304 -5.759 -11.994 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.543 -5.169 -12.574 1.00 1.70 N ATOM 0 H LYS A 85 -3.067 -8.913 -10.085 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.169 -6.369 -8.601 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -1.095 -7.136 -9.757 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.944 -7.149 -11.290 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.209 -4.762 -11.309 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.908 -4.622 -9.588 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.074 -3.886 -10.936 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.466 -5.244 -9.899 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.480 -6.797 -11.712 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.493 -5.761 -12.737 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.833 -5.720 -13.407 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.360 -4.185 -12.857 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.302 -5.189 -11.864 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.728 -4.990 -10.063 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.834 -4.298 -10.803 1.00 0.16 C ATOM 1326 C VAL A 86 -5.384 -2.898 -11.245 1.00 0.18 C ATOM 1327 O VAL A 86 -5.912 -2.344 -12.189 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.056 -4.181 -9.884 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.758 -5.538 -9.785 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.608 -3.743 -8.487 1.00 0.17 C ATOM 0 H VAL A 86 -4.312 -4.445 -9.308 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.091 -4.878 -11.689 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.744 -3.443 -10.296 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.626 -5.452 -9.131 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -8.081 -5.854 -10.777 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -7.068 -6.276 -9.376 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.478 -3.660 -7.835 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.917 -4.481 -8.079 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.110 -2.776 -8.551 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.420 -2.313 -10.582 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.967 -0.949 -10.995 1.00 0.18 C ATOM 1342 C GLY A 87 -2.733 -0.531 -10.187 1.00 0.10 C ATOM 1343 O GLY A 87 -2.312 -1.217 -9.277 1.00 0.08 O ATOM 0 H GLY A 87 -3.931 -2.714 -9.782 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.732 -0.943 -12.059 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.771 -0.229 -10.842 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.151 0.595 -10.518 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.944 1.063 -9.777 1.00 0.10 C ATOM 1349 C GLU A 88 -0.562 2.471 -10.233 1.00 0.10 C ATOM 1350 O GLU A 88 -0.803 2.857 -11.359 1.00 0.11 O ATOM 1351 CB GLU A 88 0.232 0.116 -10.037 1.00 0.17 C ATOM 1352 CG GLU A 88 0.461 -0.050 -11.545 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.668 -0.882 -12.159 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -1.002 -1.906 -11.588 1.00 1.94 O ATOM 1355 OE2 GLU A 88 -1.178 -0.479 -13.191 1.00 2.04 O ATOM 0 H GLU A 88 -2.462 1.209 -11.271 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.174 1.075 -8.712 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.134 0.508 -9.567 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.032 -0.855 -9.584 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.505 0.928 -12.024 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.420 -0.536 -11.724 1.00 0.25 H new ATOM 1362 N PHE A 89 0.050 3.237 -9.370 1.00 0.09 N ATOM 1363 CA PHE A 89 0.465 4.610 -9.767 1.00 0.09 C ATOM 1364 C PHE A 89 1.398 5.210 -8.710 1.00 0.09 C ATOM 1365 O PHE A 89 1.131 5.169 -7.529 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.768 5.509 -9.988 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.379 5.956 -8.671 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.742 6.941 -7.887 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.601 5.398 -8.236 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.321 7.361 -6.677 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.178 5.822 -7.025 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.539 6.803 -6.245 1.00 0.11 C ATOM 0 H PHE A 89 0.279 2.972 -8.412 1.00 0.09 H new ATOM 0 HA PHE A 89 1.009 4.550 -10.709 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.481 6.384 -10.572 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.514 4.968 -10.570 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.191 7.373 -8.217 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.093 4.645 -8.834 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.830 8.113 -6.077 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.113 5.394 -6.694 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.983 7.128 -5.315 1.00 0.11 H new ATOM 1382 N SER A 90 2.503 5.772 -9.138 1.00 0.13 N ATOM 1383 CA SER A 90 3.475 6.389 -8.179 1.00 0.14 C ATOM 1384 C SER A 90 3.307 7.909 -8.218 1.00 0.14 C ATOM 1385 O SER A 90 2.380 8.424 -8.812 1.00 0.17 O ATOM 1386 CB SER A 90 4.898 6.023 -8.600 1.00 0.15 C ATOM 1387 OG SER A 90 5.318 6.892 -9.645 1.00 0.16 O ATOM 0 H SER A 90 2.776 5.830 -10.119 1.00 0.13 H new ATOM 0 HA SER A 90 3.290 6.022 -7.170 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.574 6.106 -7.749 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.935 4.987 -8.936 1.00 0.15 H new ATOM 0 HG SER A 90 6.208 7.247 -9.438 1.00 0.16 H new ATOM 1393 N GLY A 91 4.193 8.633 -7.591 1.00 0.12 N ATOM 1394 CA GLY A 91 4.083 10.124 -7.592 1.00 0.13 C ATOM 1395 C GLY A 91 3.240 10.568 -6.397 1.00 0.13 C ATOM 1396 O GLY A 91 2.143 10.091 -6.185 1.00 0.13 O ATOM 0 H GLY A 91 4.990 8.258 -7.077 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.075 10.574 -7.539 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.627 10.466 -8.521 1.00 0.13 H new ATOM 1400 N ALA A 92 3.747 11.473 -5.605 1.00 0.15 N ATOM 1401 CA ALA A 92 2.977 11.936 -4.416 1.00 0.17 C ATOM 1402 C ALA A 92 1.581 12.409 -4.838 1.00 0.15 C ATOM 1403 O ALA A 92 1.393 13.539 -5.243 1.00 0.16 O ATOM 1404 CB ALA A 92 3.727 13.093 -3.737 1.00 0.20 C ATOM 0 H ALA A 92 4.660 11.911 -5.730 1.00 0.15 H new ATOM 0 HA ALA A 92 2.873 11.106 -3.718 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.163 13.431 -2.867 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.713 12.752 -3.420 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.838 13.918 -4.441 1.00 0.20 H new ATOM 1410 N ASN A 93 0.598 11.556 -4.722 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.799 11.948 -5.085 1.00 0.13 C ATOM 1412 C ASN A 93 -1.750 11.324 -4.059 1.00 0.12 C ATOM 1413 O ASN A 93 -2.449 10.372 -4.342 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.128 11.431 -6.495 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.299 12.228 -7.071 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.499 12.255 -8.270 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.088 12.880 -6.263 1.00 1.15 N ATOM 0 H ASN A 93 0.702 10.597 -4.389 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.906 13.033 -5.080 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.256 11.527 -7.142 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.380 10.371 -6.456 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.873 13.413 -6.637 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.920 12.857 -5.257 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.757 11.838 -2.858 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.635 11.263 -1.798 1.00 0.20 C ATOM 1426 C LYS A 94 -4.114 11.415 -2.168 1.00 0.18 C ATOM 1427 O LYS A 94 -4.921 10.553 -1.881 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.369 11.977 -0.465 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.302 13.514 -0.675 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.839 14.001 -0.671 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.351 14.177 0.773 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.093 14.545 0.769 1.00 1.19 N ATOM 0 H LYS A 94 -1.191 12.634 -2.565 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.407 10.201 -1.704 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.158 11.735 0.247 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.432 11.622 -0.036 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.776 13.778 -1.620 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.861 14.019 0.113 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.206 13.283 -1.193 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.760 14.946 -1.209 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.933 14.951 1.273 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.500 13.254 1.334 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.424 14.664 1.748 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.642 13.792 0.308 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.223 15.436 0.249 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.484 12.499 -2.788 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.914 12.687 -3.149 1.00 0.20 C ATOM 1448 C GLU A 95 -6.329 11.616 -4.157 1.00 0.17 C ATOM 1449 O GLU A 95 -7.480 11.234 -4.235 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.097 14.071 -3.770 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.679 15.142 -2.762 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.695 15.191 -1.619 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.716 15.837 -1.789 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.435 14.582 -0.595 1.00 1.95 O ATOM 0 H GLU A 95 -3.861 13.260 -3.059 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.533 12.602 -2.256 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.498 14.156 -4.677 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.138 14.216 -4.060 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.686 14.921 -2.371 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.619 16.114 -3.252 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.403 11.132 -4.933 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.741 10.090 -5.938 1.00 0.14 C ATOM 1463 C LYS A 96 -6.075 8.774 -5.231 1.00 0.12 C ATOM 1464 O LYS A 96 -6.933 8.038 -5.669 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.561 9.887 -6.890 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.864 8.729 -7.850 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.817 8.684 -8.988 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.314 9.476 -10.207 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.476 10.912 -9.842 1.00 2.05 N ATOM 0 H LYS A 96 -4.423 11.414 -4.914 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.609 10.414 -6.512 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.375 10.801 -7.454 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.656 9.674 -6.322 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.859 7.785 -7.305 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.863 8.848 -8.270 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.872 9.099 -8.638 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.625 7.650 -9.273 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.606 9.378 -11.030 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.264 9.070 -10.554 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.511 11.488 -10.707 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.359 11.037 -9.307 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.671 11.214 -9.257 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.414 8.460 -4.144 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.736 7.176 -3.452 1.00 0.11 C ATOM 1485 C LEU A 97 -7.240 7.118 -3.206 1.00 0.11 C ATOM 1486 O LEU A 97 -7.847 6.065 -3.234 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.017 7.079 -2.094 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.490 7.159 -2.269 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.839 7.549 -0.928 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.928 5.791 -2.736 1.00 0.13 C ATOM 0 H LEU A 97 -4.681 9.024 -3.714 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.406 6.351 -4.083 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.354 7.885 -1.442 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.282 6.141 -1.605 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.261 7.911 -3.024 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.758 7.606 -1.051 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.219 8.519 -0.608 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.079 6.798 -0.175 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.847 5.863 -2.855 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.161 5.029 -1.992 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.381 5.518 -3.689 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.846 8.246 -2.961 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.314 8.261 -2.707 1.00 0.14 C ATOM 1504 C GLU A 98 -10.059 7.873 -3.987 1.00 0.13 C ATOM 1505 O GLU A 98 -10.829 6.933 -4.010 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.742 9.667 -2.261 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.087 9.592 -1.529 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.579 11.006 -1.212 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.003 11.629 -0.336 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.523 11.440 -1.851 1.00 2.05 O ATOM 0 H GLU A 98 -7.389 9.157 -2.926 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.555 7.545 -1.921 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.984 10.097 -1.606 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.825 10.324 -3.127 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.819 9.071 -2.146 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -10.980 9.018 -0.608 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.838 8.596 -5.050 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.533 8.285 -6.331 1.00 0.14 C ATOM 1519 C ALA A 99 -10.194 6.863 -6.789 1.00 0.12 C ATOM 1520 O ALA A 99 -11.049 6.135 -7.246 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.090 9.282 -7.404 1.00 0.15 C ATOM 0 H ALA A 99 -9.203 9.393 -5.087 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.609 8.360 -6.176 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.597 9.056 -8.342 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.345 10.294 -7.088 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.012 9.207 -7.547 1.00 0.15 H new ATOM 1527 N THR A 100 -8.956 6.465 -6.679 1.00 0.11 N ATOM 1528 CA THR A 100 -8.570 5.092 -7.123 1.00 0.11 C ATOM 1529 C THR A 100 -9.266 4.052 -6.244 1.00 0.10 C ATOM 1530 O THR A 100 -9.830 3.092 -6.731 1.00 0.11 O ATOM 1531 CB THR A 100 -7.052 4.926 -7.007 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.409 6.020 -7.646 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.626 3.619 -7.677 1.00 0.12 C ATOM 0 H THR A 100 -8.195 7.029 -6.302 1.00 0.11 H new ATOM 0 HA THR A 100 -8.874 4.949 -8.160 1.00 0.11 H new ATOM 0 HB THR A 100 -6.768 4.900 -5.955 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.523 6.828 -7.104 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.545 3.503 -7.593 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.120 2.781 -7.186 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.908 3.641 -8.730 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.239 4.236 -4.955 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.911 3.256 -4.053 1.00 0.11 C ATOM 1543 C ILE A 101 -11.403 3.209 -4.403 1.00 0.13 C ATOM 1544 O ILE A 101 -11.961 2.156 -4.633 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.726 3.700 -2.588 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.272 3.421 -2.148 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.696 2.927 -1.680 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.903 4.269 -0.919 1.00 0.18 C ATOM 0 H ILE A 101 -8.783 5.019 -4.486 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.475 2.265 -4.180 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.935 4.767 -2.506 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.154 2.363 -1.914 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.590 3.644 -2.968 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.559 3.246 -0.647 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.722 3.128 -1.989 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.495 1.859 -1.759 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.875 4.057 -0.626 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.999 5.327 -1.164 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.573 4.025 -0.094 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.050 4.342 -4.448 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.503 4.359 -4.783 1.00 0.17 C ATOM 1562 C ASN A 102 -13.712 3.775 -6.183 1.00 0.18 C ATOM 1563 O ASN A 102 -14.804 3.387 -6.549 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.015 5.802 -4.750 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.465 5.847 -5.237 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.723 5.772 -6.422 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.429 5.969 -4.367 1.00 1.03 N ATOM 0 H ASN A 102 -11.636 5.256 -4.267 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.051 3.761 -4.055 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.949 6.198 -3.737 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.390 6.434 -5.381 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.399 6.001 -4.682 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -16.213 6.032 -3.372 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.674 3.715 -6.969 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.813 3.164 -8.346 1.00 0.18 C ATOM 1576 C GLU A 103 -12.915 1.636 -8.290 1.00 0.19 C ATOM 1577 O GLU A 103 -13.864 1.047 -8.767 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.582 3.557 -9.173 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.903 3.445 -10.667 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.835 4.585 -11.080 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -13.058 5.467 -10.267 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.310 4.557 -12.204 1.00 2.01 O ATOM 0 H GLU A 103 -11.735 4.024 -6.718 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.715 3.568 -8.805 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.281 4.576 -8.932 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.742 2.909 -8.923 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.983 3.485 -11.251 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.373 2.484 -10.877 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.926 0.996 -7.731 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.930 -0.496 -7.656 1.00 0.19 C ATOM 1591 C LEU A 104 -12.534 -0.960 -6.324 1.00 0.19 C ATOM 1592 O LEU A 104 -12.332 -2.081 -5.904 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.483 -0.991 -7.766 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.861 -0.518 -9.096 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.334 -0.541 -8.981 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.292 -1.448 -10.241 1.00 0.35 C ATOM 0 H LEU A 104 -11.108 1.444 -7.319 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.532 -0.903 -8.469 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.897 -0.615 -6.927 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.457 -2.079 -7.710 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.204 0.495 -9.306 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.893 -0.207 -9.920 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.020 0.123 -8.176 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.001 -1.556 -8.765 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.847 -1.105 -11.175 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.957 -2.464 -10.031 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.378 -1.436 -10.330 1.00 0.35 H new ATOM 1672 N PHE B 3 20.014 2.821 1.683 1.00 0.00 N ATOM 1673 CA PHE B 3 19.388 3.702 0.647 1.00 0.00 C ATOM 1674 C PHE B 3 18.985 2.868 -0.572 1.00 0.00 C ATOM 1675 O PHE B 3 19.413 1.742 -0.738 1.00 0.00 O ATOM 1676 CB PHE B 3 20.409 4.765 0.210 1.00 0.00 C ATOM 1677 CG PHE B 3 20.444 5.889 1.219 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.102 5.712 2.451 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.815 7.112 0.926 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.130 6.763 3.389 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.842 8.162 1.862 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.500 7.988 3.095 1.00 0.00 C ATOM 0 HA PHE B 3 18.503 4.179 1.067 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.398 4.316 0.118 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.143 5.155 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.584 4.772 2.677 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.310 7.246 -0.019 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.635 6.629 4.334 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.359 9.101 1.635 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.522 8.793 3.814 1.00 0.00 H new ATOM 1692 N ARG B 4 18.160 3.420 -1.429 1.00 0.00 N ATOM 1693 CA ARG B 4 17.715 2.681 -2.651 1.00 0.00 C ATOM 1694 C ARG B 4 17.720 3.643 -3.847 1.00 0.00 C ATOM 1695 O ARG B 4 18.767 4.029 -4.328 1.00 0.00 O ATOM 1696 CB ARG B 4 16.295 2.142 -2.437 1.00 0.00 C ATOM 1697 CG ARG B 4 16.291 1.016 -1.388 1.00 0.00 C ATOM 1698 CD ARG B 4 16.654 -0.327 -2.040 1.00 0.00 C ATOM 1699 NE ARG B 4 15.633 -0.672 -3.070 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.875 -1.621 -3.932 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.008 -2.267 -3.887 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.987 -1.924 -4.838 1.00 0.00 N ATOM 0 H ARG B 4 17.773 4.359 -1.333 1.00 0.00 H new ATOM 0 HA ARG B 4 18.392 1.848 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.639 2.950 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.897 1.768 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.003 1.247 -0.595 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.308 0.947 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.641 -0.266 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.701 -1.110 -1.283 1.00 0.00 H new ATOM 0 HE ARG B 4 14.747 -0.167 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.703 -2.030 -3.179 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.199 -3.009 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.102 -1.419 -4.873 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.178 -2.666 -5.511 1.00 0.00 H new ATOM 1716 N TYR B 5 16.557 4.033 -4.334 1.00 0.00 N ATOM 1717 CA TYR B 5 16.490 4.976 -5.506 1.00 0.00 C ATOM 1718 C TYR B 5 15.817 6.298 -5.100 1.00 0.00 C ATOM 1719 O TYR B 5 15.575 6.561 -3.938 1.00 0.00 O ATOM 1720 CB TYR B 5 15.735 4.315 -6.674 1.00 0.00 C ATOM 1721 CG TYR B 5 14.596 3.478 -6.161 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.840 2.179 -5.677 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.289 3.987 -6.178 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.774 1.392 -5.201 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.223 3.203 -5.706 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.464 1.906 -5.214 1.00 0.00 C ATOM 1727 OH TYR B 5 11.420 1.140 -4.742 1.00 0.00 O ATOM 0 H TYR B 5 15.651 3.738 -3.969 1.00 0.00 H new ATOM 0 HA TYR B 5 17.505 5.201 -5.832 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.355 5.082 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.419 3.693 -7.251 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.846 1.786 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.102 4.982 -6.554 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.961 0.396 -4.827 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.217 3.596 -5.721 1.00 0.00 H new ATOM 0 HH TYR B 5 11.757 0.263 -4.463 1.00 0.00 H new ATOM 1737 N VAL B 6 15.571 7.148 -6.062 1.00 0.00 N ATOM 1738 CA VAL B 6 14.975 8.491 -5.777 1.00 0.00 C ATOM 1739 C VAL B 6 13.570 8.395 -5.174 1.00 0.00 C ATOM 1740 O VAL B 6 12.773 7.548 -5.530 1.00 0.00 O ATOM 1741 CB VAL B 6 14.883 9.285 -7.086 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.762 10.779 -6.777 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.133 9.038 -7.925 1.00 0.00 C ATOM 0 H VAL B 6 15.760 6.968 -7.048 1.00 0.00 H new ATOM 0 HA VAL B 6 15.621 8.985 -5.051 1.00 0.00 H new ATOM 0 HB VAL B 6 14.004 8.959 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.697 11.339 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.865 10.956 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.638 11.107 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.065 9.603 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.014 9.359 -7.369 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.215 7.975 -8.152 1.00 0.00 H new ATOM 1753 N CYS B 7 13.257 9.312 -4.291 1.00 0.00 N ATOM 1754 CA CYS B 7 11.899 9.362 -3.676 1.00 0.00 C ATOM 1755 C CYS B 7 11.113 10.464 -4.380 1.00 0.00 C ATOM 1756 O CYS B 7 11.228 11.627 -4.048 1.00 0.00 O ATOM 1757 CB CYS B 7 12.009 9.691 -2.186 1.00 0.00 C ATOM 1758 SG CYS B 7 13.235 8.610 -1.410 1.00 0.00 S ATOM 0 H CYS B 7 13.897 10.038 -3.967 1.00 0.00 H new ATOM 0 HA CYS B 7 11.401 8.398 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.295 10.734 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.040 9.563 -1.703 1.00 0.00 H new ATOM 1763 N GLU B 8 10.339 10.120 -5.370 1.00 0.00 N ATOM 1764 CA GLU B 8 9.578 11.165 -6.113 1.00 0.00 C ATOM 1765 C GLU B 8 8.286 11.515 -5.372 1.00 0.00 C ATOM 1766 O GLU B 8 7.232 11.653 -5.965 1.00 0.00 O ATOM 1767 CB GLU B 8 9.245 10.649 -7.516 1.00 0.00 C ATOM 1768 CG GLU B 8 8.816 9.180 -7.430 1.00 0.00 C ATOM 1769 CD GLU B 8 8.074 8.782 -8.709 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.433 9.285 -9.762 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.159 7.979 -8.615 1.00 0.00 O ATOM 0 H GLU B 8 10.200 9.164 -5.697 1.00 0.00 H new ATOM 0 HA GLU B 8 10.191 12.064 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.447 11.247 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.113 10.748 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.690 8.544 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.173 9.029 -6.563 1.00 0.00 H new ATOM 1778 N GLY B 9 8.364 11.703 -4.086 1.00 0.00 N ATOM 1779 CA GLY B 9 7.146 12.093 -3.330 1.00 0.00 C ATOM 1780 C GLY B 9 6.803 13.537 -3.748 1.00 0.00 C ATOM 1781 O GLY B 9 6.801 13.819 -4.930 1.00 0.00 O ATOM 0 H GLY B 9 9.213 11.604 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.319 11.419 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.322 12.033 -2.256 1.00 0.00 H new ATOM 1785 N PRO B 10 6.551 14.436 -2.815 1.00 0.00 N ATOM 1786 CA PRO B 10 6.256 15.833 -3.185 1.00 0.00 C ATOM 1787 C PRO B 10 7.519 16.477 -3.785 1.00 0.00 C ATOM 1788 O PRO B 10 7.689 17.679 -3.760 1.00 0.00 O ATOM 1789 CB PRO B 10 5.845 16.521 -1.862 1.00 0.00 C ATOM 1790 CG PRO B 10 6.038 15.482 -0.718 1.00 0.00 C ATOM 1791 CD PRO B 10 6.522 14.163 -1.362 1.00 0.00 C ATOM 0 HA PRO B 10 5.468 15.921 -3.933 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.456 17.406 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.808 16.853 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.766 15.843 0.009 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.102 15.325 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.509 13.882 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.848 13.339 -1.128 1.00 0.00 H new ATOM 1799 N SER B 11 8.402 15.677 -4.321 1.00 0.00 N ATOM 1800 CA SER B 11 9.653 16.216 -4.921 1.00 0.00 C ATOM 1801 C SER B 11 9.367 16.678 -6.353 1.00 0.00 C ATOM 1802 O SER B 11 9.772 17.748 -6.763 1.00 0.00 O ATOM 1803 CB SER B 11 10.720 15.115 -4.938 1.00 0.00 C ATOM 1804 OG SER B 11 11.996 15.702 -5.157 1.00 0.00 O ATOM 0 H SER B 11 8.307 14.663 -4.368 1.00 0.00 H new ATOM 0 HA SER B 11 10.012 17.060 -4.332 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.714 14.572 -3.993 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.500 14.391 -5.723 1.00 0.00 H new ATOM 0 HG SER B 11 12.681 15.001 -5.167 1.00 0.00 H new