USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 923 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 13 HIS : no HE2:sc= -2.08 K(o=-2.4,f=1.4) USER MOD Set 1.2: A 44 THR OG1 : rot -168:sc= 0.708 USER MOD Set 1.3: A 80 THR OG1 : rot -116:sc= 0.00943 USER MOD Set 1.4: A 117 GLN : amide:sc= -1.03 K(o=-2.4,f=1.4) USER MOD Set 2.1: A 25 TYR OH : rot 15:sc= 0.266 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -1.98! C(o=-0.63!,f=-9!) USER MOD Set 2.3: A 79 THR OG1 : rot 72:sc= 1.08 USER MOD Set 3.1: A 52 SER OG : rot -91:sc= 0.482 USER MOD Set 3.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 30 MET CE :methyl 159:sc= -1.27 (180deg=-2.73) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.0476 K(o=-1.3,f=-3.6!) USER MOD Set 5.1: A 4 SER OG : rot 18:sc= 0.0164 USER MOD Set 5.2: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 8 HIS : no HD1:sc= -0.336 X(o=-0.32,f=-0.076) USER MOD Single : A 3 ASN : amide:sc= -0.0819 X(o=-0.082,f=0.31) USER MOD Single : A 6 TYR OH : rot 15:sc= 0 USER MOD Single : A 11 THR OG1 : rot 65:sc= 1.03 USER MOD Single : A 12 GLN : amide:sc= -0.304 K(o=-0.3,f=-1) USER MOD Single : A 14 TYR OH : rot 2:sc= 0.263 USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0094 (180deg=-0.142) USER MOD Single : A 19 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.291 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.578 K(o=-0.58,f=-1.3!) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.773) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.111 K(o=0.11,f=-1.9!) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.057) USER MOD Single : A 61 ASN : amide:sc= -0.866 K(o=-0.87,f=-2.7!) USER MOD Single : A 63 ASN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.015) USER MOD Single : A 68 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.42) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0481 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc=-0.00535 (180deg=-0.0681) USER MOD Single : A 75 SER OG : rot -124:sc= 0.962 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-1.5) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 6:sc= 0.128 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 109 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.5!) USER MOD Single : A 114 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 118 SER OG : rot -35:sc= 0.0422 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.771 -4.838 2.391 1.00 0.00 N ATOM 33 CA ASN A 3 5.316 -4.529 3.691 1.00 0.00 C ATOM 34 C ASN A 3 5.389 -3.029 3.821 1.00 0.00 C ATOM 35 O ASN A 3 5.910 -2.507 4.801 1.00 0.00 O ATOM 36 CB ASN A 3 6.672 -5.197 4.040 1.00 0.00 C ATOM 37 CG ASN A 3 6.784 -5.518 5.535 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.751 -4.654 6.417 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.956 -6.847 5.811 1.00 0.00 N ATOM 0 HA ASN A 3 4.638 -4.965 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.784 -6.115 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.488 -4.536 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.063 -7.158 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.977 -7.527 5.051 1.00 0.00 H new ATOM 46 N SER A 4 4.853 -2.292 2.825 1.00 0.00 N ATOM 47 CA SER A 4 4.712 -0.867 2.914 1.00 0.00 C ATOM 48 C SER A 4 3.363 -0.585 3.489 1.00 0.00 C ATOM 49 O SER A 4 3.175 0.419 4.173 1.00 0.00 O ATOM 50 CB SER A 4 4.837 -0.181 1.544 1.00 0.00 C ATOM 51 OG SER A 4 4.647 1.220 1.659 1.00 0.00 O ATOM 0 H SER A 4 4.514 -2.689 1.949 1.00 0.00 H new ATOM 0 HA SER A 4 5.511 -0.472 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.820 -0.385 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.100 -0.597 0.856 1.00 0.00 H new ATOM 0 HG SER A 4 4.765 1.491 2.593 1.00 0.00 H new ATOM 57 N ARG A 5 2.392 -1.485 3.209 1.00 0.00 N ATOM 58 CA ARG A 5 1.031 -1.340 3.646 1.00 0.00 C ATOM 59 C ARG A 5 0.965 -1.588 5.119 1.00 0.00 C ATOM 60 O ARG A 5 0.263 -0.867 5.830 1.00 0.00 O ATOM 61 CB ARG A 5 0.062 -2.301 2.928 1.00 0.00 C ATOM 62 CG ARG A 5 -1.419 -2.004 3.197 1.00 0.00 C ATOM 63 CD ARG A 5 -2.361 -2.887 2.376 1.00 0.00 C ATOM 64 NE ARG A 5 -3.734 -2.676 2.917 1.00 0.00 N ATOM 65 CZ ARG A 5 -4.780 -3.450 2.502 1.00 0.00 C ATOM 66 NH1 ARG A 5 -4.592 -4.408 1.550 1.00 0.00 N ATOM 67 NH2 ARG A 5 -6.017 -3.269 3.050 1.00 0.00 N ATOM 0 H ARG A 5 2.558 -2.332 2.666 1.00 0.00 H new ATOM 0 HA ARG A 5 0.718 -0.325 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.244 -2.250 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.280 -3.322 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.627 -2.147 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.621 -0.957 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.317 -2.621 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.073 -3.935 2.453 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.895 -1.943 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.667 -4.549 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.377 -4.983 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.158 -2.557 3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.800 -3.845 2.742 1.00 0.00 H new ATOM 81 N TYR A 6 1.712 -2.612 5.589 1.00 0.00 N ATOM 82 CA TYR A 6 1.974 -2.929 6.934 1.00 0.00 C ATOM 83 C TYR A 6 2.499 -1.787 7.724 1.00 0.00 C ATOM 84 O TYR A 6 1.894 -1.412 8.723 1.00 0.00 O ATOM 85 CB TYR A 6 3.073 -3.979 6.904 1.00 0.00 C ATOM 86 CG TYR A 6 3.305 -4.402 8.276 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.299 -5.092 8.875 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.490 -4.182 8.934 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.483 -5.626 10.121 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.677 -4.704 10.189 1.00 0.00 C ATOM 91 CZ TYR A 6 3.668 -5.427 10.796 1.00 0.00 C ATOM 92 OH TYR A 6 3.844 -5.966 12.085 1.00 0.00 O ATOM 0 H TYR A 6 2.166 -3.267 4.952 1.00 0.00 H new ATOM 0 HA TYR A 6 1.041 -3.248 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.778 -4.827 6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.984 -3.569 6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.354 -5.219 8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.271 -3.601 8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.695 -6.207 10.578 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.614 -4.550 10.703 1.00 0.00 H new ATOM 0 HH TYR A 6 3.151 -6.637 12.256 1.00 0.00 H new ATOM 102 N THR A 7 3.668 -1.245 7.316 1.00 0.00 N ATOM 103 CA THR A 7 4.328 -0.216 8.044 1.00 0.00 C ATOM 104 C THR A 7 3.636 1.110 8.025 1.00 0.00 C ATOM 105 O THR A 7 3.887 1.912 8.916 1.00 0.00 O ATOM 106 CB THR A 7 5.764 -0.006 7.686 1.00 0.00 C ATOM 107 OG1 THR A 7 5.886 0.555 6.387 1.00 0.00 O ATOM 108 CG2 THR A 7 6.571 -1.308 7.795 1.00 0.00 C ATOM 0 H THR A 7 4.156 -1.531 6.467 1.00 0.00 H new ATOM 0 HA THR A 7 4.283 -0.618 9.056 1.00 0.00 H new ATOM 0 HB THR A 7 6.180 0.700 8.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.834 0.685 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.610 -1.116 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.523 -1.681 8.818 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.154 -2.053 7.117 1.00 0.00 H new ATOM 116 N HIS A 8 2.747 1.379 7.044 1.00 0.00 N ATOM 117 CA HIS A 8 1.995 2.607 7.030 1.00 0.00 C ATOM 118 C HIS A 8 0.854 2.524 7.995 1.00 0.00 C ATOM 119 O HIS A 8 0.550 3.504 8.676 1.00 0.00 O ATOM 120 CB HIS A 8 1.460 2.984 5.643 1.00 0.00 C ATOM 121 CG HIS A 8 2.579 3.329 4.705 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.355 3.839 3.456 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.921 3.236 4.864 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.528 4.054 2.877 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.496 3.697 3.712 1.00 0.00 N ATOM 0 H HIS A 8 2.549 0.752 6.265 1.00 0.00 H new ATOM 0 HA HIS A 8 2.692 3.391 7.326 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.883 2.154 5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.781 3.832 5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.439 2.867 5.737 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.673 4.455 1.885 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.497 3.756 3.526 1.00 0.00 H new ATOM 134 N PHE A 9 0.239 1.321 8.090 1.00 0.00 N ATOM 135 CA PHE A 9 -0.753 0.960 9.074 1.00 0.00 C ATOM 136 C PHE A 9 -0.177 1.113 10.449 1.00 0.00 C ATOM 137 O PHE A 9 -0.853 1.623 11.332 1.00 0.00 O ATOM 138 CB PHE A 9 -1.308 -0.476 8.841 1.00 0.00 C ATOM 139 CG PHE A 9 -1.723 -1.256 10.064 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.804 -0.895 10.859 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.077 -2.454 10.331 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.173 -1.672 11.943 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.467 -3.256 11.383 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.502 -2.851 12.207 1.00 0.00 C ATOM 0 H PHE A 9 0.445 0.558 7.445 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.602 1.636 8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.170 -0.403 8.177 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.547 -1.052 8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.362 0.001 10.629 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.254 -2.764 9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.985 -1.357 12.582 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.967 -4.196 11.563 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.785 -3.456 13.056 1.00 0.00 H new ATOM 154 N LEU A 10 1.085 0.698 10.661 1.00 0.00 N ATOM 155 CA LEU A 10 1.704 0.739 11.950 1.00 0.00 C ATOM 156 C LEU A 10 2.454 2.029 12.211 1.00 0.00 C ATOM 157 O LEU A 10 2.927 2.235 13.324 1.00 0.00 O ATOM 158 CB LEU A 10 2.340 -0.611 12.288 1.00 0.00 C ATOM 159 CG LEU A 10 3.689 -1.044 11.737 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.876 -0.149 12.090 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.976 -2.393 12.377 1.00 0.00 C ATOM 0 H LEU A 10 1.686 0.328 9.925 1.00 0.00 H new ATOM 0 HA LEU A 10 0.960 0.831 12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.420 -0.654 13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.623 -1.376 11.990 1.00 0.00 H new ATOM 0 HG LEU A 10 3.605 -1.026 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.784 -0.555 11.644 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.701 0.856 11.705 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.991 -0.108 13.173 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.937 -2.766 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.006 -2.282 13.461 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.191 -3.099 12.106 1.00 0.00 H new ATOM 173 N THR A 11 2.556 2.953 11.223 1.00 0.00 N ATOM 174 CA THR A 11 3.008 4.302 11.486 1.00 0.00 C ATOM 175 C THR A 11 1.882 5.038 12.136 1.00 0.00 C ATOM 176 O THR A 11 2.094 5.769 13.105 1.00 0.00 O ATOM 177 CB THR A 11 3.485 5.066 10.263 1.00 0.00 C ATOM 178 OG1 THR A 11 4.677 4.471 9.779 1.00 0.00 O ATOM 179 CG2 THR A 11 3.800 6.543 10.580 1.00 0.00 C ATOM 0 H THR A 11 2.327 2.769 10.246 1.00 0.00 H new ATOM 0 HA THR A 11 3.885 4.228 12.129 1.00 0.00 H new ATOM 0 HB THR A 11 2.681 5.028 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.484 3.566 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.137 7.046 9.674 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.902 7.034 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.584 6.594 11.336 1.00 0.00 H new ATOM 187 N GLN A 12 0.660 4.844 11.601 1.00 0.00 N ATOM 188 CA GLN A 12 -0.537 5.436 12.143 1.00 0.00 C ATOM 189 C GLN A 12 -0.859 4.870 13.481 1.00 0.00 C ATOM 190 O GLN A 12 -1.305 5.602 14.361 1.00 0.00 O ATOM 191 CB GLN A 12 -1.795 5.134 11.300 1.00 0.00 C ATOM 192 CG GLN A 12 -1.774 5.629 9.849 1.00 0.00 C ATOM 193 CD GLN A 12 -1.881 7.149 9.793 1.00 0.00 C ATOM 194 OE1 GLN A 12 -0.959 7.821 9.317 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.050 7.680 10.263 1.00 0.00 N ATOM 0 H GLN A 12 0.496 4.266 10.777 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.320 6.504 12.168 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.950 4.055 11.291 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.657 5.576 11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.853 5.307 9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.599 5.181 9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.771 7.068 10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.201 8.688 10.233 1.00 0.00 H new ATOM 204 N HIS A 13 -0.683 3.547 13.637 1.00 0.00 N ATOM 205 CA HIS A 13 -1.219 2.863 14.752 1.00 0.00 C ATOM 206 C HIS A 13 -0.158 2.483 15.726 1.00 0.00 C ATOM 207 O HIS A 13 -0.269 2.851 16.885 1.00 0.00 O ATOM 208 CB HIS A 13 -2.019 1.642 14.292 1.00 0.00 C ATOM 209 CG HIS A 13 -3.294 2.065 13.632 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.392 2.399 14.374 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.586 2.344 12.341 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.325 2.861 13.557 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.863 2.836 12.315 1.00 0.00 N ATOM 0 H HIS A 13 -0.167 2.957 12.985 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.897 3.541 15.271 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.423 1.050 13.597 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.240 1.003 15.147 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.478 2.308 15.386 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.934 2.205 11.491 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.305 3.203 13.854 1.00 0.00 H new ATOM 222 N TYR A 14 0.880 1.727 15.328 1.00 0.00 N ATOM 223 CA TYR A 14 1.767 1.147 16.302 1.00 0.00 C ATOM 224 C TYR A 14 2.675 2.200 16.879 1.00 0.00 C ATOM 225 O TYR A 14 3.515 2.758 16.175 1.00 0.00 O ATOM 226 CB TYR A 14 2.637 0.047 15.711 1.00 0.00 C ATOM 227 CG TYR A 14 3.473 -0.693 16.675 1.00 0.00 C ATOM 228 CD1 TYR A 14 3.102 -1.048 17.956 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.673 -1.118 16.169 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.975 -1.761 18.750 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.582 -1.755 16.985 1.00 0.00 C ATOM 232 CZ TYR A 14 5.233 -2.074 18.280 1.00 0.00 C ATOM 233 OH TYR A 14 6.159 -2.736 19.110 1.00 0.00 O ATOM 0 H TYR A 14 1.107 1.517 14.356 1.00 0.00 H new ATOM 0 HA TYR A 14 1.133 0.716 17.076 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.991 -0.665 15.196 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.288 0.489 14.957 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.130 -0.768 18.335 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.907 -0.953 15.128 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.674 -2.074 19.739 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.564 -2.004 16.612 1.00 0.00 H new ATOM 0 HH TYR A 14 5.743 -2.928 19.976 1.00 0.00 H new ATOM 243 N ASP A 15 2.517 2.482 18.189 1.00 0.00 N ATOM 244 CA ASP A 15 3.405 3.357 18.891 1.00 0.00 C ATOM 245 C ASP A 15 3.682 2.569 20.114 1.00 0.00 C ATOM 246 O ASP A 15 2.898 2.608 21.054 1.00 0.00 O ATOM 247 CB ASP A 15 2.822 4.725 19.301 1.00 0.00 C ATOM 248 CG ASP A 15 3.935 5.480 20.019 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.988 5.736 19.376 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.741 5.825 21.215 1.00 0.00 O ATOM 0 H ASP A 15 1.767 2.099 18.764 1.00 0.00 H new ATOM 0 HA ASP A 15 4.254 3.626 18.262 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.482 5.278 18.426 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.958 4.597 19.953 1.00 0.00 H new ATOM 255 N ALA A 16 4.796 1.810 20.073 1.00 0.00 N ATOM 256 CA ALA A 16 5.164 0.714 20.945 1.00 0.00 C ATOM 257 C ALA A 16 4.937 0.831 22.421 1.00 0.00 C ATOM 258 O ALA A 16 4.632 -0.171 23.065 1.00 0.00 O ATOM 259 CB ALA A 16 6.613 0.266 20.728 1.00 0.00 C ATOM 0 H ALA A 16 5.510 1.975 19.364 1.00 0.00 H new ATOM 0 HA ALA A 16 4.431 -0.023 20.617 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.844 -0.558 21.403 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.742 -0.063 19.697 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.286 1.100 20.929 1.00 0.00 H new ATOM 265 N LYS A 17 5.062 2.038 22.996 1.00 0.00 N ATOM 266 CA LYS A 17 4.582 2.243 24.330 1.00 0.00 C ATOM 267 C LYS A 17 4.196 3.687 24.442 1.00 0.00 C ATOM 268 O LYS A 17 4.726 4.504 23.690 1.00 0.00 O ATOM 269 CB LYS A 17 5.622 1.896 25.427 1.00 0.00 C ATOM 270 CG LYS A 17 6.985 2.594 25.273 1.00 0.00 C ATOM 271 CD LYS A 17 8.014 2.184 26.341 1.00 0.00 C ATOM 272 CE LYS A 17 8.449 0.714 26.283 1.00 0.00 C ATOM 273 NZ LYS A 17 9.035 0.390 24.963 1.00 0.00 N ATOM 0 H LYS A 17 5.484 2.855 22.554 1.00 0.00 H new ATOM 0 HA LYS A 17 3.740 1.572 24.498 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.204 2.158 26.399 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.781 0.818 25.428 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.389 2.369 24.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.838 3.673 25.318 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.897 2.814 26.236 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.594 2.386 27.326 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.178 0.515 27.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.591 0.069 26.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.489 -0.545 25.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.284 0.379 24.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.744 1.108 24.712 1.00 0.00 H new ATOM 287 N PRO A 18 3.306 4.045 25.356 1.00 0.00 N ATOM 288 CA PRO A 18 2.991 5.411 25.652 1.00 0.00 C ATOM 289 C PRO A 18 4.112 6.042 26.414 1.00 0.00 C ATOM 290 O PRO A 18 4.862 5.349 27.103 1.00 0.00 O ATOM 291 CB PRO A 18 1.792 5.318 26.600 1.00 0.00 C ATOM 292 CG PRO A 18 1.804 3.892 27.144 1.00 0.00 C ATOM 293 CD PRO A 18 2.317 3.153 25.930 1.00 0.00 C ATOM 0 HA PRO A 18 2.808 5.992 24.748 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.874 6.046 27.407 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.860 5.529 26.075 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.460 3.781 28.008 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.814 3.554 27.450 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.758 2.195 26.205 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.514 2.943 25.224 1.00 0.00 H new ATOM 301 N GLN A 19 4.177 7.387 26.333 1.00 0.00 N ATOM 302 CA GLN A 19 4.959 8.180 27.235 1.00 0.00 C ATOM 303 C GLN A 19 4.114 8.294 28.458 1.00 0.00 C ATOM 304 O GLN A 19 4.484 7.833 29.537 1.00 0.00 O ATOM 305 CB GLN A 19 5.278 9.594 26.706 1.00 0.00 C ATOM 306 CG GLN A 19 6.499 9.658 25.769 1.00 0.00 C ATOM 307 CD GLN A 19 6.276 8.843 24.492 1.00 0.00 C ATOM 308 OE1 GLN A 19 6.792 7.727 24.350 1.00 0.00 O ATOM 309 NE2 GLN A 19 5.496 9.438 23.540 1.00 0.00 N ATOM 0 H GLN A 19 3.678 7.932 25.630 1.00 0.00 H new ATOM 0 HA GLN A 19 5.929 7.709 27.398 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.406 9.976 26.175 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.450 10.257 27.554 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.703 10.696 25.507 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.379 9.282 26.291 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.096 10.361 23.712 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.314 8.959 22.658 1.00 0.00 H new ATOM 318 N GLY A 20 2.926 8.890 28.272 1.00 0.00 N ATOM 319 CA GLY A 20 1.849 8.780 29.212 1.00 0.00 C ATOM 320 C GLY A 20 0.692 8.442 28.355 1.00 0.00 C ATOM 321 O GLY A 20 0.847 8.276 27.149 1.00 0.00 O ATOM 0 H GLY A 20 2.705 9.460 27.455 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.040 8.006 29.956 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.690 9.712 29.755 1.00 0.00 H new ATOM 325 N ARG A 21 -0.497 8.334 28.963 1.00 0.00 N ATOM 326 CA ARG A 21 -1.705 8.107 28.215 1.00 0.00 C ATOM 327 C ARG A 21 -2.624 9.199 28.620 1.00 0.00 C ATOM 328 O ARG A 21 -3.637 8.977 29.284 1.00 0.00 O ATOM 329 CB ARG A 21 -2.363 6.725 28.418 1.00 0.00 C ATOM 330 CG ARG A 21 -1.548 5.610 27.746 1.00 0.00 C ATOM 331 CD ARG A 21 -2.262 4.262 27.611 1.00 0.00 C ATOM 332 NE ARG A 21 -2.093 3.509 28.880 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.731 2.318 29.072 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.577 1.831 28.121 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.515 1.609 30.218 1.00 0.00 N ATOM 0 H ARG A 21 -0.631 8.403 29.972 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.468 8.108 27.151 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.455 6.518 29.484 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.373 6.738 28.007 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.254 5.947 26.752 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.631 5.460 28.316 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.320 4.414 27.399 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.848 3.696 26.777 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.494 3.886 29.615 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.735 2.357 27.262 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.052 0.940 28.269 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.878 1.970 30.928 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.991 0.719 30.364 1.00 0.00 H new ATOM 349 N ASP A 22 -2.245 10.427 28.218 1.00 0.00 N ATOM 350 CA ASP A 22 -2.947 11.616 28.584 1.00 0.00 C ATOM 351 C ASP A 22 -3.013 12.454 27.353 1.00 0.00 C ATOM 352 O ASP A 22 -2.503 12.065 26.301 1.00 0.00 O ATOM 353 CB ASP A 22 -2.289 12.397 29.745 1.00 0.00 C ATOM 354 CG ASP A 22 -0.909 12.940 29.376 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.009 12.134 29.070 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.753 14.189 29.428 1.00 0.00 O ATOM 0 H ASP A 22 -1.432 10.595 27.625 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.935 11.350 28.959 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.936 13.225 30.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.199 11.744 30.613 1.00 0.00 H new ATOM 361 N ASP A 23 -3.661 13.633 27.474 1.00 0.00 N ATOM 362 CA ASP A 23 -3.977 14.490 26.364 1.00 0.00 C ATOM 363 C ASP A 23 -2.765 15.128 25.758 1.00 0.00 C ATOM 364 O ASP A 23 -2.796 15.493 24.588 1.00 0.00 O ATOM 365 CB ASP A 23 -4.989 15.608 26.705 1.00 0.00 C ATOM 366 CG ASP A 23 -4.410 16.607 27.706 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.167 16.218 28.880 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.218 17.787 27.307 1.00 0.00 O ATOM 0 H ASP A 23 -3.975 14.002 28.372 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.436 13.813 25.644 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.275 16.131 25.792 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.896 15.165 27.116 1.00 0.00 H new ATOM 373 N ARG A 24 -1.670 15.266 26.536 1.00 0.00 N ATOM 374 CA ARG A 24 -0.456 15.859 26.058 1.00 0.00 C ATOM 375 C ARG A 24 0.381 14.834 25.361 1.00 0.00 C ATOM 376 O ARG A 24 1.229 15.202 24.549 1.00 0.00 O ATOM 377 CB ARG A 24 0.401 16.486 27.169 1.00 0.00 C ATOM 378 CG ARG A 24 -0.349 17.569 27.954 1.00 0.00 C ATOM 379 CD ARG A 24 0.517 18.226 29.029 1.00 0.00 C ATOM 380 NE ARG A 24 -0.309 19.271 29.696 1.00 0.00 N ATOM 381 CZ ARG A 24 0.204 20.020 30.716 1.00 0.00 C ATOM 382 NH1 ARG A 24 1.482 19.813 31.148 1.00 0.00 N ATOM 383 NH2 ARG A 24 -0.566 20.980 31.307 1.00 0.00 N ATOM 0 H ARG A 24 -1.628 14.962 27.509 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.767 16.653 25.379 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.727 15.705 27.856 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.300 16.918 26.729 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.704 18.333 27.262 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.230 17.129 28.422 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.856 17.485 29.753 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.409 18.668 28.585 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.268 19.429 29.387 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.059 19.096 30.709 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.860 20.375 31.910 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.522 21.136 30.986 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.186 21.541 32.069 1.00 0.00 H new ATOM 397 N TYR A 25 0.149 13.528 25.651 1.00 0.00 N ATOM 398 CA TYR A 25 0.822 12.473 24.944 1.00 0.00 C ATOM 399 C TYR A 25 0.209 12.406 23.600 1.00 0.00 C ATOM 400 O TYR A 25 0.945 12.270 22.625 1.00 0.00 O ATOM 401 CB TYR A 25 0.729 11.068 25.588 1.00 0.00 C ATOM 402 CG TYR A 25 0.805 9.930 24.588 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.960 9.589 23.888 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.324 9.144 24.400 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.972 8.513 23.024 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.309 8.070 23.534 1.00 0.00 C ATOM 407 CZ TYR A 25 0.839 7.752 22.848 1.00 0.00 C ATOM 408 OH TYR A 25 0.853 6.657 21.961 1.00 0.00 O ATOM 0 H TYR A 25 -0.500 13.209 26.370 1.00 0.00 H new ATOM 0 HA TYR A 25 1.884 12.719 24.945 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.535 10.957 26.313 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.208 10.993 26.140 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.858 10.174 24.023 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.229 9.377 24.941 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.874 8.267 22.484 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.201 7.478 23.395 1.00 0.00 H new ATOM 0 HH TYR A 25 1.779 6.432 21.734 1.00 0.00 H new ATOM 418 N CYS A 26 -1.139 12.484 23.505 1.00 0.00 N ATOM 419 CA CYS A 26 -1.728 12.247 22.244 1.00 0.00 C ATOM 420 C CYS A 26 -1.680 13.452 21.351 1.00 0.00 C ATOM 421 O CYS A 26 -1.719 13.319 20.132 1.00 0.00 O ATOM 422 CB CYS A 26 -3.097 11.624 22.326 1.00 0.00 C ATOM 423 SG CYS A 26 -3.297 10.789 20.731 1.00 0.00 S ATOM 0 H CYS A 26 -1.780 12.701 24.268 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.105 11.491 21.766 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.166 10.921 23.156 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.869 12.377 22.481 1.00 0.00 H new ATOM 428 N GLU A 27 -1.534 14.660 21.931 1.00 0.00 N ATOM 429 CA GLU A 27 -1.272 15.838 21.151 1.00 0.00 C ATOM 430 C GLU A 27 0.134 15.822 20.637 1.00 0.00 C ATOM 431 O GLU A 27 0.375 16.301 19.530 1.00 0.00 O ATOM 432 CB GLU A 27 -1.474 17.153 21.920 1.00 0.00 C ATOM 433 CG GLU A 27 -2.955 17.501 22.079 1.00 0.00 C ATOM 434 CD GLU A 27 -3.080 18.715 22.987 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.543 19.793 22.617 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.724 18.581 24.062 1.00 0.00 O ATOM 0 H GLU A 27 -1.597 14.823 22.936 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.998 15.809 20.338 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.013 17.072 22.904 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.966 17.962 21.395 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.400 17.710 21.106 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.498 16.656 22.502 1.00 0.00 H new ATOM 443 N SER A 28 1.089 15.268 21.424 1.00 0.00 N ATOM 444 CA SER A 28 2.466 15.185 21.017 1.00 0.00 C ATOM 445 C SER A 28 2.700 14.195 19.914 1.00 0.00 C ATOM 446 O SER A 28 3.557 14.434 19.068 1.00 0.00 O ATOM 447 CB SER A 28 3.422 14.838 22.172 1.00 0.00 C ATOM 448 OG SER A 28 4.773 14.882 21.736 1.00 0.00 O ATOM 0 H SER A 28 0.903 14.876 22.347 1.00 0.00 H new ATOM 0 HA SER A 28 2.685 16.190 20.655 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.277 15.539 22.994 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.191 13.844 22.556 1.00 0.00 H new ATOM 0 HG SER A 28 5.366 14.660 22.484 1.00 0.00 H new ATOM 454 N ILE A 29 1.958 13.066 19.901 1.00 0.00 N ATOM 455 CA ILE A 29 2.159 12.026 18.917 1.00 0.00 C ATOM 456 C ILE A 29 1.376 12.307 17.675 1.00 0.00 C ATOM 457 O ILE A 29 1.754 11.860 16.594 1.00 0.00 O ATOM 458 CB ILE A 29 1.949 10.601 19.409 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.379 9.552 18.374 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.496 10.340 19.821 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.504 8.179 18.993 1.00 0.00 C ATOM 0 H ILE A 29 1.216 12.869 20.572 1.00 0.00 H new ATOM 0 HA ILE A 29 3.224 12.064 18.687 1.00 0.00 H new ATOM 0 HB ILE A 29 2.587 10.502 20.287 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.652 9.521 17.563 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.334 9.842 17.936 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.395 9.311 20.165 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.218 11.021 20.626 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.160 10.503 18.966 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.810 7.463 18.231 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.250 8.205 19.787 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.542 7.878 19.408 1.00 0.00 H new ATOM 473 N MET A 30 0.275 13.074 17.777 1.00 0.00 N ATOM 474 CA MET A 30 -0.470 13.435 16.609 1.00 0.00 C ATOM 475 C MET A 30 0.235 14.528 15.878 1.00 0.00 C ATOM 476 O MET A 30 0.116 14.640 14.664 1.00 0.00 O ATOM 477 CB MET A 30 -1.855 13.944 16.971 1.00 0.00 C ATOM 478 CG MET A 30 -2.813 12.794 17.317 1.00 0.00 C ATOM 479 SD MET A 30 -3.785 12.183 15.921 1.00 0.00 S ATOM 480 CE MET A 30 -4.929 11.249 16.972 1.00 0.00 C ATOM 0 H MET A 30 -0.096 13.440 18.654 1.00 0.00 H new ATOM 0 HA MET A 30 -0.559 12.542 15.991 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.782 14.624 17.820 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.261 14.517 16.137 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.234 11.968 17.730 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.494 13.128 18.099 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.855 11.064 16.427 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.475 10.298 17.249 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.146 11.823 17.873 1.00 0.00 H new ATOM 490 N ARG A 31 0.988 15.358 16.616 1.00 0.00 N ATOM 491 CA ARG A 31 1.889 16.333 16.064 1.00 0.00 C ATOM 492 C ARG A 31 3.109 15.695 15.441 1.00 0.00 C ATOM 493 O ARG A 31 3.583 16.172 14.411 1.00 0.00 O ATOM 494 CB ARG A 31 2.336 17.325 17.153 1.00 0.00 C ATOM 495 CG ARG A 31 3.195 18.503 16.678 1.00 0.00 C ATOM 496 CD ARG A 31 3.360 19.555 17.781 1.00 0.00 C ATOM 497 NE ARG A 31 3.973 18.878 18.964 1.00 0.00 N ATOM 498 CZ ARG A 31 3.804 19.355 20.233 1.00 0.00 C ATOM 499 NH1 ARG A 31 3.132 20.521 20.453 1.00 0.00 N ATOM 500 NH2 ARG A 31 4.312 18.654 21.290 1.00 0.00 N ATOM 0 H ARG A 31 0.973 15.355 17.636 1.00 0.00 H new ATOM 0 HA ARG A 31 1.345 16.860 15.280 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.446 17.723 17.641 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.895 16.775 17.910 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.175 18.140 16.370 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.735 18.961 15.802 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.993 20.373 17.438 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.395 19.987 18.045 1.00 0.00 H new ATOM 0 HE ARG A 31 4.532 18.037 18.820 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.750 21.046 19.666 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.011 20.868 21.404 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.814 17.781 21.129 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.190 19.004 22.240 1.00 0.00 H new ATOM 514 N ARG A 32 3.648 14.621 16.068 1.00 0.00 N ATOM 515 CA ARG A 32 4.874 13.969 15.668 1.00 0.00 C ATOM 516 C ARG A 32 4.690 13.231 14.381 1.00 0.00 C ATOM 517 O ARG A 32 5.474 13.404 13.448 1.00 0.00 O ATOM 518 CB ARG A 32 5.369 12.957 16.727 1.00 0.00 C ATOM 519 CG ARG A 32 6.708 12.270 16.419 1.00 0.00 C ATOM 520 CD ARG A 32 7.146 11.345 17.556 1.00 0.00 C ATOM 521 NE ARG A 32 8.430 10.707 17.151 1.00 0.00 N ATOM 522 CZ ARG A 32 9.065 9.830 17.982 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.528 9.520 19.199 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.244 9.261 17.594 1.00 0.00 N ATOM 0 H ARG A 32 3.215 14.190 16.884 1.00 0.00 H new ATOM 0 HA ARG A 32 5.614 14.761 15.553 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.458 13.474 17.682 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.607 12.187 16.851 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.618 11.696 15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.474 13.026 16.250 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.274 11.909 18.480 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.386 10.587 17.747 1.00 0.00 H new ATOM 0 HE ARG A 32 8.839 10.928 16.243 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.648 9.945 19.491 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.007 8.864 19.816 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.647 9.492 16.686 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.722 8.605 18.212 1.00 0.00 H new ATOM 538 N ARG A 33 3.642 12.378 14.320 1.00 0.00 N ATOM 539 CA ARG A 33 3.316 11.590 13.162 1.00 0.00 C ATOM 540 C ARG A 33 2.712 12.482 12.114 1.00 0.00 C ATOM 541 O ARG A 33 2.880 12.238 10.920 1.00 0.00 O ATOM 542 CB ARG A 33 2.332 10.441 13.483 1.00 0.00 C ATOM 543 CG ARG A 33 2.993 9.087 13.786 1.00 0.00 C ATOM 544 CD ARG A 33 3.953 9.122 14.978 1.00 0.00 C ATOM 545 NE ARG A 33 4.035 7.752 15.571 1.00 0.00 N ATOM 546 CZ ARG A 33 4.906 6.805 15.112 1.00 0.00 C ATOM 547 NH1 ARG A 33 5.743 7.067 14.068 1.00 0.00 N ATOM 548 NH2 ARG A 33 4.935 5.577 15.710 1.00 0.00 N ATOM 0 H ARG A 33 3.002 12.233 15.101 1.00 0.00 H new ATOM 0 HA ARG A 33 4.240 11.136 12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.724 10.732 14.340 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.654 10.317 12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.215 8.348 13.979 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.537 8.753 12.903 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.940 9.454 14.658 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.603 9.836 15.724 1.00 0.00 H new ATOM 0 HE ARG A 33 3.417 7.516 16.348 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.725 7.982 13.617 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.387 6.348 13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.310 5.375 16.491 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.581 4.862 15.376 1.00 0.00 H new ATOM 562 N GLY A 34 2.016 13.550 12.559 1.00 0.00 N ATOM 563 CA GLY A 34 1.443 14.568 11.721 1.00 0.00 C ATOM 564 C GLY A 34 0.219 14.030 11.106 1.00 0.00 C ATOM 565 O GLY A 34 0.078 13.968 9.885 1.00 0.00 O ATOM 0 H GLY A 34 1.844 13.712 13.551 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.213 15.457 12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.153 14.869 10.951 1.00 0.00 H new ATOM 569 N LEU A 35 -0.717 13.666 11.999 1.00 0.00 N ATOM 570 CA LEU A 35 -2.047 13.311 11.645 1.00 0.00 C ATOM 571 C LEU A 35 -2.860 14.452 12.157 1.00 0.00 C ATOM 572 O LEU A 35 -4.079 14.350 12.297 1.00 0.00 O ATOM 573 CB LEU A 35 -2.552 12.047 12.355 1.00 0.00 C ATOM 574 CG LEU A 35 -1.542 10.876 12.441 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.151 9.677 13.188 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.008 10.438 11.067 1.00 0.00 C ATOM 0 H LEU A 35 -0.537 13.618 13.002 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.110 13.117 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.854 12.317 13.367 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.445 11.695 11.839 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.688 11.251 13.005 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.421 8.869 13.234 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.423 9.979 14.199 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.041 9.333 12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.305 9.615 11.195 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.839 10.112 10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.501 11.277 10.590 1.00 0.00 H new ATOM 588 N THR A 36 -2.160 15.576 12.456 1.00 0.00 N ATOM 589 CA THR A 36 -2.778 16.760 12.985 1.00 0.00 C ATOM 590 C THR A 36 -2.954 17.716 11.848 1.00 0.00 C ATOM 591 O THR A 36 -3.470 18.816 12.023 1.00 0.00 O ATOM 592 CB THR A 36 -2.014 17.392 14.138 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.795 18.397 14.772 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.657 17.981 13.699 1.00 0.00 C ATOM 0 H THR A 36 -1.152 15.659 12.327 1.00 0.00 H new ATOM 0 HA THR A 36 -3.739 16.488 13.422 1.00 0.00 H new ATOM 0 HB THR A 36 -1.809 16.591 14.848 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.297 18.897 14.095 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.154 18.419 14.561 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.035 17.190 13.280 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.821 18.751 12.945 1.00 0.00 H new ATOM 602 N SER A 37 -2.537 17.303 10.635 1.00 0.00 N ATOM 603 CA SER A 37 -2.683 18.128 9.470 1.00 0.00 C ATOM 604 C SER A 37 -3.328 17.297 8.399 1.00 0.00 C ATOM 605 O SER A 37 -2.630 16.481 7.799 1.00 0.00 O ATOM 606 CB SER A 37 -1.334 18.640 8.940 1.00 0.00 C ATOM 607 OG SER A 37 -1.537 19.438 7.784 1.00 0.00 O ATOM 0 H SER A 37 -2.099 16.399 10.460 1.00 0.00 H new ATOM 0 HA SER A 37 -3.284 18.997 9.739 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.829 19.223 9.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.685 17.798 8.701 1.00 0.00 H new ATOM 0 HG SER A 37 -0.673 19.761 7.454 1.00 0.00 H new ATOM 613 N PRO A 38 -4.607 17.437 8.073 1.00 0.00 N ATOM 614 CA PRO A 38 -5.661 18.022 8.865 1.00 0.00 C ATOM 615 C PRO A 38 -5.983 17.046 9.963 1.00 0.00 C ATOM 616 O PRO A 38 -5.703 15.855 9.819 1.00 0.00 O ATOM 617 CB PRO A 38 -6.836 18.142 7.893 1.00 0.00 C ATOM 618 CG PRO A 38 -6.616 17.016 6.879 1.00 0.00 C ATOM 619 CD PRO A 38 -5.093 16.886 6.822 1.00 0.00 C ATOM 0 HA PRO A 38 -5.413 18.984 9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.790 18.030 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.849 19.117 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.087 16.087 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.035 17.265 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.793 15.844 6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.685 17.429 5.970 1.00 0.00 H new ATOM 627 N CYS A 39 -6.558 17.559 11.075 1.00 0.00 N ATOM 628 CA CYS A 39 -6.824 16.808 12.257 1.00 0.00 C ATOM 629 C CYS A 39 -7.867 15.771 12.011 1.00 0.00 C ATOM 630 O CYS A 39 -9.018 16.077 11.695 1.00 0.00 O ATOM 631 CB CYS A 39 -7.302 17.718 13.394 1.00 0.00 C ATOM 632 SG CYS A 39 -6.169 19.106 13.643 1.00 0.00 S ATOM 0 H CYS A 39 -6.846 18.535 11.146 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.889 16.326 12.543 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.299 18.095 13.166 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.382 17.141 14.315 1.00 0.00 H new ATOM 637 N LYS A 40 -7.437 14.502 12.157 1.00 0.00 N ATOM 638 CA LYS A 40 -8.260 13.349 11.956 1.00 0.00 C ATOM 639 C LYS A 40 -9.025 13.160 13.227 1.00 0.00 C ATOM 640 O LYS A 40 -8.529 13.461 14.313 1.00 0.00 O ATOM 641 CB LYS A 40 -7.396 12.112 11.615 1.00 0.00 C ATOM 642 CG LYS A 40 -8.125 10.765 11.463 1.00 0.00 C ATOM 643 CD LYS A 40 -9.208 10.722 10.376 1.00 0.00 C ATOM 644 CE LYS A 40 -9.985 9.403 10.397 1.00 0.00 C ATOM 645 NZ LYS A 40 -11.066 9.427 9.388 1.00 0.00 N ATOM 0 H LYS A 40 -6.480 14.272 12.425 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.940 13.480 11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.866 12.316 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.642 12.002 12.394 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.386 9.994 11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.583 10.509 12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.899 11.553 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.746 10.856 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.309 8.572 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.407 9.238 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.585 8.526 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.719 10.209 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.655 9.563 8.442 1.00 0.00 H new ATOM 659 N ASP A 41 -10.276 12.669 13.081 1.00 0.00 N ATOM 660 CA ASP A 41 -11.256 12.597 14.125 1.00 0.00 C ATOM 661 C ASP A 41 -10.988 11.501 15.105 1.00 0.00 C ATOM 662 O ASP A 41 -11.379 11.618 16.263 1.00 0.00 O ATOM 663 CB ASP A 41 -12.670 12.358 13.577 1.00 0.00 C ATOM 664 CG ASP A 41 -12.980 13.467 12.583 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.014 14.653 13.007 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.187 13.141 11.383 1.00 0.00 O ATOM 0 H ASP A 41 -10.618 12.306 12.191 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.189 13.565 14.621 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.732 11.383 13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.398 12.358 14.388 1.00 0.00 H new ATOM 671 N ILE A 42 -10.349 10.394 14.670 1.00 0.00 N ATOM 672 CA ILE A 42 -10.046 9.329 15.582 1.00 0.00 C ATOM 673 C ILE A 42 -8.817 8.656 15.061 1.00 0.00 C ATOM 674 O ILE A 42 -8.761 8.259 13.899 1.00 0.00 O ATOM 675 CB ILE A 42 -11.211 8.355 15.808 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.904 7.258 16.863 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.780 7.805 14.479 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.449 5.896 16.324 1.00 0.00 C ATOM 0 H ILE A 42 -10.048 10.238 13.708 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.870 9.736 16.578 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.015 8.939 16.255 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.131 7.635 17.532 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.799 7.104 17.465 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.602 7.121 14.691 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.144 8.632 13.869 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.996 7.274 13.939 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.266 5.218 17.157 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.226 5.481 15.682 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.531 6.020 15.749 1.00 0.00 H new ATOM 690 N ASN A 43 -7.799 8.496 15.937 1.00 0.00 N ATOM 691 CA ASN A 43 -6.716 7.587 15.626 1.00 0.00 C ATOM 692 C ASN A 43 -6.316 6.896 16.878 1.00 0.00 C ATOM 693 O ASN A 43 -6.189 7.513 17.932 1.00 0.00 O ATOM 694 CB ASN A 43 -5.395 8.172 15.087 1.00 0.00 C ATOM 695 CG ASN A 43 -5.603 8.891 13.758 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.593 10.126 13.701 1.00 0.00 O ATOM 697 ND2 ASN A 43 -5.774 8.081 12.668 1.00 0.00 N ATOM 0 H ASN A 43 -7.720 8.976 16.833 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.141 6.977 14.829 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.979 8.867 15.817 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.667 7.371 14.959 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.903 8.491 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.773 7.067 12.781 1.00 0.00 H new ATOM 704 N THR A 44 -6.087 5.576 16.753 1.00 0.00 N ATOM 705 CA THR A 44 -5.740 4.734 17.854 1.00 0.00 C ATOM 706 C THR A 44 -4.279 4.447 17.778 1.00 0.00 C ATOM 707 O THR A 44 -3.801 4.024 16.730 1.00 0.00 O ATOM 708 CB THR A 44 -6.477 3.430 17.747 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.865 3.705 17.661 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.215 2.544 18.971 1.00 0.00 C ATOM 0 H THR A 44 -6.145 5.082 15.862 1.00 0.00 H new ATOM 0 HA THR A 44 -5.998 5.229 18.790 1.00 0.00 H new ATOM 0 HB THR A 44 -6.129 2.899 16.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.371 2.876 17.788 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.762 1.607 18.865 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.148 2.335 19.047 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.549 3.059 19.871 1.00 0.00 H new ATOM 718 N PHE A 45 -3.548 4.642 18.901 1.00 0.00 N ATOM 719 CA PHE A 45 -2.183 4.187 18.986 1.00 0.00 C ATOM 720 C PHE A 45 -2.112 2.944 19.824 1.00 0.00 C ATOM 721 O PHE A 45 -2.378 2.977 21.021 1.00 0.00 O ATOM 722 CB PHE A 45 -1.160 5.203 19.525 1.00 0.00 C ATOM 723 CG PHE A 45 -1.144 6.385 18.611 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.341 6.473 17.481 1.00 0.00 C ATOM 725 CD2 PHE A 45 -1.995 7.429 18.900 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.437 7.559 16.639 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.113 8.500 18.043 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.335 8.570 16.904 1.00 0.00 C ATOM 0 H PHE A 45 -3.895 5.108 19.739 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.896 4.007 17.950 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.426 5.509 20.537 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.169 4.752 19.579 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.363 5.685 17.261 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.577 7.407 19.810 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.196 7.618 15.766 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.817 9.289 18.262 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.429 9.408 16.229 1.00 0.00 H new ATOM 738 N ILE A 46 -1.720 1.817 19.186 1.00 0.00 N ATOM 739 CA ILE A 46 -1.559 0.514 19.783 1.00 0.00 C ATOM 740 C ILE A 46 -0.236 0.509 20.470 1.00 0.00 C ATOM 741 O ILE A 46 0.690 1.172 20.026 1.00 0.00 O ATOM 742 CB ILE A 46 -1.392 -0.592 18.748 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.253 -0.401 17.485 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.576 -1.989 19.365 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.765 -0.455 17.691 1.00 0.00 C ATOM 0 H ILE A 46 -1.501 1.815 18.190 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.435 0.342 20.408 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.360 -0.515 18.407 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.001 0.562 17.040 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.977 -1.169 16.762 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.449 -2.748 18.593 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.834 -2.141 20.149 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.576 -2.070 19.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.268 -0.308 16.735 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.042 -1.426 18.101 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.066 0.331 18.384 1.00 0.00 H new ATOM 757 N HIS A 47 -0.114 -0.271 21.559 1.00 0.00 N ATOM 758 CA HIS A 47 1.103 -0.434 22.294 1.00 0.00 C ATOM 759 C HIS A 47 1.240 -1.885 22.595 1.00 0.00 C ATOM 760 O HIS A 47 0.313 -2.519 23.100 1.00 0.00 O ATOM 761 CB HIS A 47 1.092 0.239 23.667 1.00 0.00 C ATOM 762 CG HIS A 47 0.358 1.538 23.676 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.715 2.613 22.895 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.732 1.939 24.387 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.162 3.603 23.163 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.056 3.243 24.063 1.00 0.00 N ATOM 0 H HIS A 47 -0.892 -0.808 21.942 1.00 0.00 H new ATOM 0 HA HIS A 47 1.896 0.002 21.686 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.635 -0.435 24.392 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.119 0.407 23.991 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.494 2.654 22.238 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.265 1.328 25.100 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.135 4.576 22.695 1.00 0.00 H new ATOM 774 N GLY A 48 2.432 -2.438 22.322 1.00 0.00 N ATOM 775 CA GLY A 48 2.688 -3.797 22.678 1.00 0.00 C ATOM 776 C GLY A 48 3.953 -4.175 22.001 1.00 0.00 C ATOM 777 O GLY A 48 4.851 -3.349 21.848 1.00 0.00 O ATOM 0 H GLY A 48 3.206 -1.956 21.864 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.778 -3.905 23.759 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.869 -4.443 22.360 1.00 0.00 H new ATOM 781 N ASN A 49 4.034 -5.454 21.586 1.00 0.00 N ATOM 782 CA ASN A 49 5.163 -5.964 20.870 1.00 0.00 C ATOM 783 C ASN A 49 4.695 -6.085 19.456 1.00 0.00 C ATOM 784 O ASN A 49 3.521 -6.348 19.202 1.00 0.00 O ATOM 785 CB ASN A 49 5.610 -7.339 21.409 1.00 0.00 C ATOM 786 CG ASN A 49 6.984 -7.745 20.868 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.821 -6.916 20.493 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.215 -9.093 20.863 1.00 0.00 N ATOM 0 H ASN A 49 3.302 -6.145 21.751 1.00 0.00 H new ATOM 0 HA ASN A 49 6.028 -5.309 20.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.643 -7.309 22.498 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.874 -8.094 21.133 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.112 -9.456 20.539 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.491 -9.736 21.183 1.00 0.00 H new ATOM 795 N LYS A 50 5.622 -5.897 18.491 1.00 0.00 N ATOM 796 CA LYS A 50 5.274 -5.888 17.101 1.00 0.00 C ATOM 797 C LYS A 50 5.238 -7.301 16.594 1.00 0.00 C ATOM 798 O LYS A 50 4.656 -7.575 15.548 1.00 0.00 O ATOM 799 CB LYS A 50 6.328 -5.168 16.233 1.00 0.00 C ATOM 800 CG LYS A 50 5.801 -4.655 14.881 1.00 0.00 C ATOM 801 CD LYS A 50 6.882 -4.286 13.846 1.00 0.00 C ATOM 802 CE LYS A 50 7.687 -3.005 14.107 1.00 0.00 C ATOM 803 NZ LYS A 50 8.690 -3.190 15.179 1.00 0.00 N ATOM 0 H LYS A 50 6.614 -5.751 18.677 1.00 0.00 H new ATOM 0 HA LYS A 50 4.314 -5.376 17.026 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.729 -4.325 16.796 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.157 -5.851 16.049 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.154 -5.419 14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.181 -3.777 15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.582 -5.118 13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.401 -4.192 12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.189 -2.699 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.007 -2.199 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.496 -2.554 15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.259 -2.970 16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.021 -4.176 15.178 1.00 0.00 H new ATOM 817 N ARG A 51 5.868 -8.243 17.333 1.00 0.00 N ATOM 818 CA ARG A 51 5.837 -9.635 16.984 1.00 0.00 C ATOM 819 C ARG A 51 4.560 -10.225 17.492 1.00 0.00 C ATOM 820 O ARG A 51 4.112 -11.254 16.988 1.00 0.00 O ATOM 821 CB ARG A 51 6.982 -10.460 17.593 1.00 0.00 C ATOM 822 CG ARG A 51 8.364 -9.835 17.370 1.00 0.00 C ATOM 823 CD ARG A 51 9.491 -10.688 17.959 1.00 0.00 C ATOM 824 NE ARG A 51 10.788 -9.973 17.745 1.00 0.00 N ATOM 825 CZ ARG A 51 11.305 -9.106 18.667 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.645 -8.837 19.830 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.504 -8.501 18.418 1.00 0.00 N ATOM 0 H ARG A 51 6.402 -8.036 18.177 1.00 0.00 H new ATOM 0 HA ARG A 51 5.934 -9.678 15.899 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.810 -10.573 18.663 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.969 -11.461 17.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.532 -9.703 16.301 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.389 -8.843 17.821 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.322 -10.857 19.023 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.515 -11.667 17.481 1.00 0.00 H new ATOM 0 HE ARG A 51 11.304 -10.138 16.881 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.750 -9.286 20.024 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.047 -8.187 20.506 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.004 -8.698 17.551 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.899 -7.852 19.099 1.00 0.00 H new ATOM 841 N SER A 52 3.948 -9.564 18.504 1.00 0.00 N ATOM 842 CA SER A 52 2.641 -9.900 18.987 1.00 0.00 C ATOM 843 C SER A 52 1.625 -9.468 17.981 1.00 0.00 C ATOM 844 O SER A 52 0.669 -10.207 17.760 1.00 0.00 O ATOM 845 CB SER A 52 2.308 -9.318 20.370 1.00 0.00 C ATOM 846 OG SER A 52 1.035 -9.770 20.801 1.00 0.00 O ATOM 0 H SER A 52 4.375 -8.779 18.995 1.00 0.00 H new ATOM 0 HA SER A 52 2.623 -10.982 19.120 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.070 -9.616 21.090 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.319 -8.229 20.326 1.00 0.00 H new ATOM 0 HG SER A 52 0.346 -9.138 20.505 1.00 0.00 H new ATOM 852 N ILE A 53 1.821 -8.275 17.356 1.00 0.00 N ATOM 853 CA ILE A 53 0.990 -7.761 16.283 1.00 0.00 C ATOM 854 C ILE A 53 0.954 -8.722 15.118 1.00 0.00 C ATOM 855 O ILE A 53 -0.130 -9.075 14.658 1.00 0.00 O ATOM 856 CB ILE A 53 1.399 -6.360 15.832 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.103 -5.358 16.968 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.691 -5.940 14.527 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.664 -3.958 16.713 1.00 0.00 C ATOM 0 H ILE A 53 2.584 -7.646 17.606 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.018 -7.671 16.687 1.00 0.00 H new ATOM 0 HB ILE A 53 2.467 -6.365 15.616 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.024 -5.288 17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.520 -5.743 17.898 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.013 -4.937 14.245 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.948 -6.640 13.732 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.388 -5.945 14.681 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.417 -3.309 17.553 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.747 -4.014 16.604 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.228 -3.552 15.800 1.00 0.00 H new ATOM 871 N LYS A 54 2.132 -9.175 14.629 1.00 0.00 N ATOM 872 CA LYS A 54 2.241 -10.109 13.526 1.00 0.00 C ATOM 873 C LYS A 54 1.592 -11.431 13.822 1.00 0.00 C ATOM 874 O LYS A 54 0.925 -12.008 12.961 1.00 0.00 O ATOM 875 CB LYS A 54 3.699 -10.417 13.150 1.00 0.00 C ATOM 876 CG LYS A 54 4.408 -9.205 12.541 1.00 0.00 C ATOM 877 CD LYS A 54 5.920 -9.398 12.389 1.00 0.00 C ATOM 878 CE LYS A 54 6.623 -8.136 11.881 1.00 0.00 C ATOM 879 NZ LYS A 54 8.081 -8.362 11.791 1.00 0.00 N ATOM 0 H LYS A 54 3.035 -8.888 15.007 1.00 0.00 H new ATOM 0 HA LYS A 54 1.732 -9.606 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.240 -10.744 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.722 -11.244 12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.976 -8.994 11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.222 -8.332 13.167 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.345 -9.685 13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.111 -10.219 11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.230 -7.861 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.418 -7.302 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.546 -7.498 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.454 -8.603 12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.271 -9.144 11.133 1.00 0.00 H new ATOM 893 N ALA A 55 1.747 -11.918 15.078 1.00 0.00 N ATOM 894 CA ALA A 55 1.219 -13.181 15.520 1.00 0.00 C ATOM 895 C ALA A 55 -0.264 -13.169 15.781 1.00 0.00 C ATOM 896 O ALA A 55 -0.795 -14.174 16.248 1.00 0.00 O ATOM 897 CB ALA A 55 1.882 -13.669 16.817 1.00 0.00 C ATOM 0 H ALA A 55 2.255 -11.416 15.806 1.00 0.00 H new ATOM 0 HA ALA A 55 1.438 -13.848 14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.449 -14.626 17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.953 -13.790 16.655 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.715 -12.938 17.608 1.00 0.00 H new ATOM 903 N ILE A 56 -0.979 -12.061 15.463 1.00 0.00 N ATOM 904 CA ILE A 56 -2.414 -12.047 15.503 1.00 0.00 C ATOM 905 C ILE A 56 -2.925 -12.820 14.330 1.00 0.00 C ATOM 906 O ILE A 56 -3.971 -13.459 14.430 1.00 0.00 O ATOM 907 CB ILE A 56 -3.021 -10.652 15.564 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.516 -9.874 16.804 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.563 -10.719 15.566 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.467 -10.682 18.103 1.00 0.00 C ATOM 0 H ILE A 56 -0.559 -11.176 15.178 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.727 -12.517 16.435 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.700 -10.116 14.671 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.516 -9.494 16.593 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.160 -9.008 16.957 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.971 -9.709 15.610 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.907 -11.210 14.656 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.901 -11.285 16.434 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.101 -10.049 18.911 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.467 -11.040 18.347 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.798 -11.533 17.977 1.00 0.00 H new ATOM 922 N CYS A 57 -2.180 -12.827 13.199 1.00 0.00 N ATOM 923 CA CYS A 57 -2.631 -13.529 12.024 1.00 0.00 C ATOM 924 C CYS A 57 -2.309 -14.995 12.077 1.00 0.00 C ATOM 925 O CYS A 57 -2.766 -15.756 11.226 1.00 0.00 O ATOM 926 CB CYS A 57 -2.071 -12.946 10.724 1.00 0.00 C ATOM 927 SG CYS A 57 -2.321 -11.154 10.691 1.00 0.00 S ATOM 0 H CYS A 57 -1.281 -12.356 13.098 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.713 -13.398 12.022 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.009 -13.175 10.641 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.564 -13.406 9.868 1.00 0.00 H new ATOM 932 N GLU A 58 -1.537 -15.428 13.101 1.00 0.00 N ATOM 933 CA GLU A 58 -1.382 -16.818 13.420 1.00 0.00 C ATOM 934 C GLU A 58 -2.586 -17.244 14.199 1.00 0.00 C ATOM 935 O GLU A 58 -3.281 -16.427 14.803 1.00 0.00 O ATOM 936 CB GLU A 58 -0.158 -17.114 14.304 1.00 0.00 C ATOM 937 CG GLU A 58 1.171 -16.807 13.607 1.00 0.00 C ATOM 938 CD GLU A 58 2.299 -17.119 14.578 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.380 -18.287 15.041 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.100 -16.190 14.870 1.00 0.00 O ATOM 0 H GLU A 58 -1.015 -14.802 13.714 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.255 -17.349 12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.227 -16.526 15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.174 -18.164 14.598 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.272 -17.405 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.209 -15.761 13.304 1.00 0.00 H new ATOM 947 N ASN A 59 -2.837 -18.570 14.209 1.00 0.00 N ATOM 948 CA ASN A 59 -3.997 -19.151 14.829 1.00 0.00 C ATOM 949 C ASN A 59 -3.758 -19.442 16.282 1.00 0.00 C ATOM 950 O ASN A 59 -4.676 -19.872 16.980 1.00 0.00 O ATOM 951 CB ASN A 59 -4.467 -20.452 14.141 1.00 0.00 C ATOM 952 CG ASN A 59 -3.413 -21.561 14.253 1.00 0.00 C ATOM 953 OD1 ASN A 59 -2.305 -21.466 13.712 1.00 0.00 O ATOM 954 ND2 ASN A 59 -3.804 -22.663 14.964 1.00 0.00 N ATOM 0 H ASN A 59 -2.219 -19.256 13.776 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.781 -18.402 14.721 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.399 -20.788 14.595 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.677 -20.253 13.090 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.170 -23.455 15.066 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.730 -22.692 15.392 1.00 0.00 H new ATOM 961 N LYS A 60 -2.516 -19.222 16.761 1.00 0.00 N ATOM 962 CA LYS A 60 -2.156 -19.479 18.123 1.00 0.00 C ATOM 963 C LYS A 60 -2.612 -18.331 18.964 1.00 0.00 C ATOM 964 O LYS A 60 -3.174 -18.526 20.041 1.00 0.00 O ATOM 965 CB LYS A 60 -0.631 -19.666 18.288 1.00 0.00 C ATOM 966 CG LYS A 60 -0.150 -20.063 19.696 1.00 0.00 C ATOM 967 CD LYS A 60 -0.690 -21.418 20.183 1.00 0.00 C ATOM 968 CE LYS A 60 -0.107 -21.849 21.532 1.00 0.00 C ATOM 969 NZ LYS A 60 -0.486 -20.891 22.593 1.00 0.00 N ATOM 0 H LYS A 60 -1.751 -18.860 16.192 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.638 -20.405 18.438 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.300 -20.429 17.584 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.138 -18.736 18.006 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.940 -20.095 19.701 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.449 -19.289 20.403 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.775 -21.361 20.265 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.466 -22.181 19.437 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.467 -22.845 21.788 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.979 -21.911 21.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.184 -21.259 23.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.023 -19.977 22.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.518 -20.762 22.592 1.00 0.00 H new ATOM 983 N ASN A 61 -2.341 -17.106 18.477 1.00 0.00 N ATOM 984 CA ASN A 61 -2.507 -15.911 19.255 1.00 0.00 C ATOM 985 C ASN A 61 -3.454 -15.001 18.526 1.00 0.00 C ATOM 986 O ASN A 61 -3.290 -13.785 18.502 1.00 0.00 O ATOM 987 CB ASN A 61 -1.136 -15.249 19.516 1.00 0.00 C ATOM 988 CG ASN A 61 -1.232 -14.143 20.567 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.800 -14.333 21.649 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.634 -12.964 20.218 1.00 0.00 N ATOM 0 H ASN A 61 -2.002 -16.940 17.530 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.931 -16.141 20.232 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.424 -16.005 19.848 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.749 -14.834 18.585 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.640 -12.177 20.867 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.181 -12.871 19.309 1.00 0.00 H new ATOM 997 N GLY A 62 -4.509 -15.580 17.928 1.00 0.00 N ATOM 998 CA GLY A 62 -5.537 -14.788 17.321 1.00 0.00 C ATOM 999 C GLY A 62 -6.427 -15.769 16.640 1.00 0.00 C ATOM 1000 O GLY A 62 -6.074 -16.939 16.514 1.00 0.00 O ATOM 0 H GLY A 62 -4.652 -16.588 17.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.083 -14.211 18.067 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.118 -14.075 16.611 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.625 -15.320 16.217 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.616 -16.214 15.695 1.00 0.00 C ATOM 1006 C ASN A 63 -9.395 -15.401 14.702 1.00 0.00 C ATOM 1007 O ASN A 63 -9.327 -14.176 14.796 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.547 -16.798 16.795 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.308 -15.708 17.556 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.462 -15.396 17.236 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.649 -15.156 18.619 1.00 0.00 N ATOM 0 H ASN A 63 -7.907 -14.340 16.236 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.145 -17.086 15.242 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.261 -17.483 16.337 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.952 -17.381 17.499 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.109 -14.450 19.193 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.697 -15.451 18.838 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.109 -15.988 13.747 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.771 -15.238 12.714 1.00 0.00 C ATOM 1020 C PRO A 64 -12.005 -14.637 13.309 1.00 0.00 C ATOM 1021 O PRO A 64 -12.719 -15.304 14.059 1.00 0.00 O ATOM 1022 CB PRO A 64 -11.108 -16.254 11.620 1.00 0.00 C ATOM 1023 CG PRO A 64 -11.047 -17.617 12.311 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.015 -17.399 13.415 1.00 0.00 C ATOM 0 HA PRO A 64 -10.168 -14.430 12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.097 -16.068 11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.396 -16.197 10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.016 -17.907 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.741 -18.405 11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.228 -18.023 14.283 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.013 -17.658 13.074 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.251 -13.363 12.956 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.389 -12.621 13.396 1.00 0.00 C ATOM 1034 C HIS A 65 -14.012 -12.170 12.128 1.00 0.00 C ATOM 1035 O HIS A 65 -13.286 -11.762 11.226 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.972 -11.364 14.184 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.085 -10.386 14.417 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.123 -10.632 15.272 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.287 -9.159 13.883 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.933 -9.582 15.256 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.447 -8.672 14.421 1.00 0.00 N ATOM 0 H HIS A 65 -11.634 -12.831 12.342 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.032 -13.217 14.043 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.566 -11.671 15.148 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.169 -10.861 13.645 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.652 -8.658 13.167 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.842 -9.483 15.830 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.866 -7.765 14.216 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.364 -12.219 12.053 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.141 -11.671 10.968 1.00 0.00 C ATOM 1052 C ARG A 66 -15.868 -12.431 9.696 1.00 0.00 C ATOM 1053 O ARG A 66 -16.362 -13.543 9.512 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.940 -10.141 10.816 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.997 -9.406 9.975 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.600 -7.949 9.702 1.00 0.00 C ATOM 1057 NE ARG A 66 -16.327 -7.279 11.008 1.00 0.00 N ATOM 1058 CZ ARG A 66 -15.743 -6.045 11.052 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -15.462 -5.375 9.897 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -15.431 -5.482 12.256 1.00 0.00 N ATOM 0 H ARG A 66 -15.937 -12.656 12.774 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.197 -11.798 11.205 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.921 -9.696 11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.961 -9.965 10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.135 -9.928 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.955 -9.430 10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.717 -7.910 9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.399 -7.432 9.171 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.580 -7.748 11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.688 -5.795 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.026 -4.454 9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.634 -5.983 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.995 -4.561 12.290 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.060 -11.837 8.795 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.631 -12.440 7.579 1.00 0.00 C ATOM 1076 C GLU A 67 -13.483 -11.567 7.214 1.00 0.00 C ATOM 1077 O GLU A 67 -13.676 -10.383 6.945 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.678 -12.411 6.445 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.193 -13.061 5.142 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.365 -13.095 4.172 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.863 -11.998 3.805 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.777 -14.220 3.783 1.00 0.00 O ATOM 0 H GLU A 67 -14.693 -10.894 8.925 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.417 -13.501 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.580 -12.922 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.954 -11.376 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.364 -12.494 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.826 -14.069 5.332 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.264 -12.157 7.239 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.963 -11.607 6.897 1.00 0.00 C ATOM 1091 C ASN A 68 -10.403 -10.651 7.920 1.00 0.00 C ATOM 1092 O ASN A 68 -9.371 -10.027 7.681 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.743 -11.099 5.430 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.591 -9.892 4.979 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -12.496 -10.057 4.150 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -11.293 -8.677 5.529 1.00 0.00 N ATOM 0 H ASN A 68 -12.177 -13.130 7.532 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.362 -12.515 6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.691 -10.837 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.942 -11.927 4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.827 -7.851 5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.536 -8.596 6.208 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.068 -10.521 9.087 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.646 -9.649 10.145 1.00 0.00 C ATOM 1105 C LEU A 69 -10.145 -10.624 11.152 1.00 0.00 C ATOM 1106 O LEU A 69 -10.390 -11.821 11.018 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.797 -8.778 10.699 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.015 -7.420 9.973 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.002 -6.348 10.407 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -12.079 -7.501 8.442 1.00 0.00 C ATOM 0 H LEU A 69 -11.922 -11.036 9.300 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.906 -8.912 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.722 -9.352 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.605 -8.580 11.754 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.010 -7.119 10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.200 -5.421 9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.095 -6.173 11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.992 -6.689 10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.233 -6.503 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.144 -7.910 8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.906 -8.147 8.146 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.382 -10.151 12.153 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.655 -11.084 12.960 1.00 0.00 C ATOM 1124 C ARG A 70 -8.526 -10.480 14.313 1.00 0.00 C ATOM 1125 O ARG A 70 -7.739 -9.557 14.517 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.249 -11.354 12.392 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.608 -12.662 12.854 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.038 -13.864 12.016 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.311 -15.059 12.527 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.455 -16.263 11.904 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -7.269 -16.382 10.815 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.789 -17.357 12.374 1.00 0.00 N ATOM 0 H ARG A 70 -9.269 -9.167 12.398 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.186 -12.036 12.984 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.308 -11.360 11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.595 -10.528 12.671 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.523 -12.564 12.810 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.870 -12.840 13.897 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.115 -14.013 12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.808 -13.698 10.964 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.705 -14.977 13.343 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.773 -15.568 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.373 -17.285 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.184 -17.274 13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.896 -18.258 11.908 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.317 -11.008 15.270 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.300 -10.504 16.608 1.00 0.00 C ATOM 1148 C ILE A 71 -8.191 -11.208 17.322 1.00 0.00 C ATOM 1149 O ILE A 71 -7.977 -12.407 17.150 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.639 -10.641 17.331 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.661 -9.854 18.659 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.026 -12.115 17.551 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.069 -9.647 19.221 1.00 0.00 C ATOM 0 H ILE A 71 -9.965 -11.781 15.116 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.127 -9.428 16.590 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.392 -10.200 16.678 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.058 -10.384 19.396 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.193 -8.882 18.504 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.984 -12.166 18.068 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.106 -12.618 16.587 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.262 -12.606 18.154 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.010 -9.087 20.154 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.670 -9.090 18.502 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.532 -10.616 19.408 1.00 0.00 H new ATOM 1165 N SER A 72 -7.447 -10.435 18.131 1.00 0.00 N ATOM 1166 CA SER A 72 -6.319 -10.941 18.861 1.00 0.00 C ATOM 1167 C SER A 72 -6.724 -11.672 20.102 1.00 0.00 C ATOM 1168 O SER A 72 -7.862 -11.581 20.556 1.00 0.00 O ATOM 1169 CB SER A 72 -5.383 -9.811 19.305 1.00 0.00 C ATOM 1170 OG SER A 72 -6.030 -8.914 20.181 1.00 0.00 O ATOM 0 H SER A 72 -7.628 -9.443 18.284 1.00 0.00 H new ATOM 0 HA SER A 72 -5.816 -11.619 18.172 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.508 -10.235 19.798 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.024 -9.270 18.429 1.00 0.00 H new ATOM 0 HG SER A 72 -5.370 -8.303 20.570 1.00 0.00 H new ATOM 1176 N LYS A 73 -5.754 -12.417 20.677 1.00 0.00 N ATOM 1177 CA LYS A 73 -5.925 -13.096 21.931 1.00 0.00 C ATOM 1178 C LYS A 73 -5.025 -12.449 22.932 1.00 0.00 C ATOM 1179 O LYS A 73 -5.197 -12.655 24.133 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.533 -14.586 21.894 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.493 -15.483 21.093 1.00 0.00 C ATOM 1182 CD LYS A 73 -7.910 -15.617 21.678 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.976 -16.252 23.074 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.390 -17.611 23.060 1.00 0.00 N ATOM 0 H LYS A 73 -4.832 -12.550 20.261 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.985 -13.030 22.177 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.534 -14.674 21.468 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.477 -14.959 22.917 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.572 -15.089 20.080 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.054 -16.478 21.015 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.364 -14.627 21.723 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.514 -16.213 20.995 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.440 -15.627 23.789 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.012 -16.301 23.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.550 -18.068 23.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.839 -18.175 22.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.368 -17.546 22.879 1.00 0.00 H new ATOM 1198 N SER A 74 -4.036 -11.658 22.457 1.00 0.00 N ATOM 1199 CA SER A 74 -3.119 -10.976 23.315 1.00 0.00 C ATOM 1200 C SER A 74 -3.483 -9.545 23.192 1.00 0.00 C ATOM 1201 O SER A 74 -2.946 -8.832 22.350 1.00 0.00 O ATOM 1202 CB SER A 74 -1.640 -11.140 22.931 1.00 0.00 C ATOM 1203 OG SER A 74 -0.817 -10.370 23.795 1.00 0.00 O ATOM 0 H SER A 74 -3.875 -11.493 21.463 1.00 0.00 H new ATOM 0 HA SER A 74 -3.200 -11.388 24.321 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.357 -12.191 22.989 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.489 -10.826 21.898 1.00 0.00 H new ATOM 0 HG SER A 74 0.122 -10.485 23.540 1.00 0.00 H new ATOM 1209 N SER A 75 -4.437 -9.147 24.052 1.00 0.00 N ATOM 1210 CA SER A 75 -4.933 -7.811 24.270 1.00 0.00 C ATOM 1211 C SER A 75 -3.825 -6.810 24.410 1.00 0.00 C ATOM 1212 O SER A 75 -2.936 -6.960 25.247 1.00 0.00 O ATOM 1213 CB SER A 75 -5.763 -7.739 25.561 1.00 0.00 C ATOM 1214 OG SER A 75 -6.219 -6.417 25.785 1.00 0.00 O ATOM 0 H SER A 75 -4.909 -9.822 24.654 1.00 0.00 H new ATOM 0 HA SER A 75 -5.539 -7.574 23.396 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.614 -8.417 25.491 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.160 -8.070 26.407 1.00 0.00 H new ATOM 0 HG SER A 75 -5.921 -6.113 26.668 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.870 -5.764 23.555 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.811 -4.798 23.455 1.00 0.00 C ATOM 1222 C PHE A 76 -3.305 -3.586 24.141 1.00 0.00 C ATOM 1223 O PHE A 76 -4.514 -3.373 24.242 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.479 -4.344 22.011 1.00 0.00 C ATOM 1225 CG PHE A 76 -1.983 -5.463 21.151 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.893 -6.351 20.622 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.642 -5.596 20.805 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.480 -7.384 19.826 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.217 -6.634 19.987 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.149 -7.539 19.521 1.00 0.00 C ATOM 0 H PHE A 76 -4.652 -5.587 22.925 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.915 -5.259 23.871 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.370 -3.911 21.557 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.725 -3.558 22.047 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.944 -6.231 20.838 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.078 -4.882 21.178 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.205 -8.082 19.435 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.825 -6.732 19.720 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.831 -8.373 18.914 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.352 -2.752 24.613 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.700 -1.508 25.212 1.00 0.00 C ATOM 1242 C GLN A 77 -2.964 -0.553 24.119 1.00 0.00 C ATOM 1243 O GLN A 77 -2.439 -0.707 23.024 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.653 -0.935 26.187 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.894 -1.938 27.054 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.417 -1.162 28.276 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.522 -0.360 28.215 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.137 -1.406 29.415 1.00 0.00 N ATOM 0 H GLN A 77 -1.351 -2.944 24.577 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.578 -1.679 25.835 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.924 -0.368 25.608 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.155 -0.228 26.847 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.538 -2.767 27.346 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.052 -2.365 26.510 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.902 -2.081 29.400 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.909 -0.913 30.278 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.826 0.443 24.384 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.337 1.263 23.330 1.00 0.00 C ATOM 1259 C VAL A 78 -4.513 2.629 23.920 1.00 0.00 C ATOM 1260 O VAL A 78 -4.742 2.773 25.118 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.623 0.650 22.792 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.805 1.626 22.635 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.231 -0.017 21.462 1.00 0.00 C ATOM 0 H VAL A 78 -4.166 0.680 25.316 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.669 1.334 22.471 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.016 -0.063 23.517 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.670 1.090 22.246 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.052 2.058 23.605 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.530 2.422 21.943 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.110 -0.481 21.015 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.832 0.735 20.781 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.473 -0.778 21.646 1.00 0.00 H new ATOM 1273 N THR A 79 -4.399 3.673 23.075 1.00 0.00 N ATOM 1274 CA THR A 79 -4.830 4.993 23.430 1.00 0.00 C ATOM 1275 C THR A 79 -5.619 5.422 22.247 1.00 0.00 C ATOM 1276 O THR A 79 -5.054 5.797 21.222 1.00 0.00 O ATOM 1277 CB THR A 79 -3.717 5.984 23.657 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.849 5.508 24.664 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.272 7.328 24.144 1.00 0.00 C ATOM 0 H THR A 79 -4.004 3.601 22.137 1.00 0.00 H new ATOM 0 HA THR A 79 -5.368 4.966 24.377 1.00 0.00 H new ATOM 0 HB THR A 79 -3.194 6.111 22.709 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.323 4.758 24.315 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.450 8.026 24.301 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.954 7.733 23.396 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.808 7.182 25.082 1.00 0.00 H new ATOM 1287 N THR A 80 -6.957 5.376 22.377 1.00 0.00 N ATOM 1288 CA THR A 80 -7.834 5.808 21.334 1.00 0.00 C ATOM 1289 C THR A 80 -8.003 7.273 21.530 1.00 0.00 C ATOM 1290 O THR A 80 -8.754 7.714 22.400 1.00 0.00 O ATOM 1291 CB THR A 80 -9.182 5.135 21.384 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.001 3.732 21.303 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.051 5.591 20.199 1.00 0.00 C ATOM 0 H THR A 80 -7.434 5.037 23.212 1.00 0.00 H new ATOM 0 HA THR A 80 -7.407 5.552 20.364 1.00 0.00 H new ATOM 0 HB THR A 80 -9.678 5.403 22.317 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.417 3.395 20.482 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.021 5.097 20.248 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.191 6.671 20.245 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.557 5.329 19.263 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.292 8.063 20.707 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.349 9.481 20.806 1.00 0.00 C ATOM 1303 C CYS A 81 -8.412 9.910 19.884 1.00 0.00 C ATOM 1304 O CYS A 81 -8.417 9.535 18.716 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.069 10.161 20.359 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.641 9.353 21.076 1.00 0.00 S ATOM 0 H CYS A 81 -6.677 7.715 19.972 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.519 9.751 21.848 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.999 10.137 19.272 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.086 11.210 20.654 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.337 10.714 20.418 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.404 11.232 19.633 1.00 0.00 C ATOM 1313 C LYS A 82 -10.114 12.689 19.619 1.00 0.00 C ATOM 1314 O LYS A 82 -9.579 13.214 20.589 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.765 11.021 20.323 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.994 11.359 19.468 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.287 11.300 20.289 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.542 11.551 19.452 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.744 11.460 20.309 1.00 0.00 N ATOM 0 H LYS A 82 -9.347 11.007 21.395 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.465 10.758 18.653 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.837 9.980 20.637 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.794 11.629 21.227 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.878 12.356 19.042 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.060 10.661 18.633 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.364 10.322 20.764 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.237 12.040 21.088 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.489 12.536 18.988 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.604 10.821 18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.594 11.632 19.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.798 10.511 20.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.687 12.173 21.064 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.458 13.368 18.514 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.289 14.782 18.362 1.00 0.00 C ATOM 1335 C LEU A 83 -11.304 15.458 19.221 1.00 0.00 C ATOM 1336 O LEU A 83 -12.497 15.165 19.153 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.587 15.165 16.894 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.428 16.640 16.470 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.958 17.061 16.456 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -11.048 16.860 15.077 1.00 0.00 C ATOM 0 H LEU A 83 -10.869 12.919 17.695 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.275 15.075 18.636 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.937 14.565 16.257 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.612 14.866 16.675 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.950 17.256 17.202 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.881 18.105 16.153 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.536 16.941 17.454 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.408 16.438 15.751 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.930 17.904 14.787 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.545 16.223 14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.108 16.609 15.107 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.819 16.403 20.045 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.670 17.196 20.871 1.00 0.00 C ATOM 1354 C HIS A 84 -11.050 18.545 20.846 1.00 0.00 C ATOM 1355 O HIS A 84 -10.868 19.207 21.867 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.759 16.639 22.303 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.615 17.426 23.247 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.898 17.809 22.967 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.331 17.855 24.496 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.377 18.456 24.020 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.445 18.498 24.964 1.00 0.00 N ATOM 0 H HIS A 84 -9.826 16.618 20.138 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.699 17.206 20.511 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.143 15.620 22.255 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.752 16.581 22.715 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.400 17.717 25.026 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.367 18.881 24.097 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.542 18.934 25.881 1.00 0.00 H new ATOM 1370 N GLY A 85 -10.716 18.956 19.614 1.00 0.00 N ATOM 1371 CA GLY A 85 -10.128 20.231 19.337 1.00 0.00 C ATOM 1372 C GLY A 85 -11.250 21.101 18.915 1.00 0.00 C ATOM 1373 O GLY A 85 -11.598 22.069 19.590 1.00 0.00 O ATOM 0 H GLY A 85 -10.858 18.385 18.781 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.630 20.633 20.219 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.375 20.154 18.553 1.00 0.00 H new ATOM 1377 N GLY A 86 -11.832 20.738 17.759 1.00 0.00 N ATOM 1378 CA GLY A 86 -12.948 21.430 17.181 1.00 0.00 C ATOM 1379 C GLY A 86 -12.500 22.022 15.888 1.00 0.00 C ATOM 1380 O GLY A 86 -13.317 22.284 15.005 1.00 0.00 O ATOM 0 H GLY A 86 -11.519 19.939 17.207 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.780 20.744 17.019 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.304 22.210 17.855 1.00 0.00 H new ATOM 1384 N SER A 87 -11.177 22.249 15.758 1.00 0.00 N ATOM 1385 CA SER A 87 -10.602 22.808 14.574 1.00 0.00 C ATOM 1386 C SER A 87 -10.347 21.673 13.622 1.00 0.00 C ATOM 1387 O SER A 87 -9.947 20.603 14.080 1.00 0.00 O ATOM 1388 CB SER A 87 -9.248 23.480 14.847 1.00 0.00 C ATOM 1389 OG SER A 87 -9.406 24.522 15.798 1.00 0.00 O ATOM 0 H SER A 87 -10.497 22.040 16.489 1.00 0.00 H new ATOM 0 HA SER A 87 -11.289 23.557 14.180 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.535 22.743 15.218 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.839 23.881 13.920 1.00 0.00 H new ATOM 0 HG SER A 87 -8.538 24.944 15.968 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.519 21.837 12.317 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.061 20.867 11.359 1.00 0.00 C ATOM 1397 C PRO A 88 -8.589 21.056 11.149 1.00 0.00 C ATOM 1398 O PRO A 88 -7.951 20.122 10.674 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.785 21.216 10.057 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.995 22.045 10.491 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.489 22.754 11.745 1.00 0.00 C ATOM 0 HA PRO A 88 -10.251 19.843 11.682 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.139 21.781 9.385 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.093 20.317 9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.297 22.754 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.860 21.417 10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.032 23.713 11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.302 22.956 12.442 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.052 22.259 11.432 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.722 22.624 11.049 1.00 0.00 C ATOM 1411 C TRP A 89 -5.852 22.614 12.270 1.00 0.00 C ATOM 1412 O TRP A 89 -6.396 22.746 13.365 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.717 24.028 10.423 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.676 24.088 9.261 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -8.879 24.725 9.169 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.520 23.331 8.048 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.477 24.424 7.969 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.656 23.560 7.274 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.524 22.497 7.623 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.811 22.958 6.058 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.687 21.877 6.403 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.813 22.106 5.633 1.00 0.00 C ATOM 0 H TRP A 89 -8.552 22.991 11.936 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.345 21.913 10.313 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -6.997 24.768 11.172 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.711 24.280 10.086 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.299 25.370 9.927 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.377 24.780 7.646 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.641 22.330 8.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.685 23.143 5.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.924 21.202 6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.913 21.608 4.680 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.533 22.470 12.151 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.666 22.326 13.291 1.00 0.00 C ATOM 1435 C PRO A 90 -3.508 23.681 13.945 1.00 0.00 C ATOM 1436 O PRO A 90 -3.558 24.664 13.205 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.314 21.869 12.725 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.396 22.119 11.216 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.890 22.026 10.928 1.00 0.00 C ATOM 0 HA PRO A 90 -4.053 21.621 14.027 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.492 22.429 13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.135 20.815 12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.994 23.096 10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.830 21.376 10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.170 22.656 10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.181 21.006 10.676 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.289 23.822 15.248 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.136 22.743 16.189 1.00 0.00 C ATOM 1449 C PRO A 91 -4.490 22.281 16.613 1.00 0.00 C ATOM 1450 O PRO A 91 -5.490 22.952 16.359 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.451 23.345 17.408 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.797 24.620 16.886 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.726 25.056 15.755 1.00 0.00 C ATOM 0 HA PRO A 91 -2.575 21.912 15.760 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.168 23.562 18.200 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.712 22.662 17.826 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.724 25.381 17.663 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.785 24.434 16.526 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.504 25.727 16.118 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.180 25.591 14.978 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.505 21.116 17.277 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.720 20.460 17.658 1.00 0.00 C ATOM 1463 C CYS A 92 -5.457 19.747 18.933 1.00 0.00 C ATOM 1464 O CYS A 92 -4.388 19.168 19.121 1.00 0.00 O ATOM 1465 CB CYS A 92 -6.178 19.387 16.656 1.00 0.00 C ATOM 1466 SG CYS A 92 -6.971 20.118 15.200 1.00 0.00 S ATOM 0 H CYS A 92 -3.660 20.617 17.556 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.493 21.225 17.720 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.320 18.793 16.342 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.875 18.706 17.146 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.466 19.769 19.827 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.415 19.039 21.057 1.00 0.00 C ATOM 1473 C GLN A 93 -6.930 17.670 20.774 1.00 0.00 C ATOM 1474 O GLN A 93 -7.808 17.488 19.933 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.299 19.633 22.163 1.00 0.00 C ATOM 1476 CG GLN A 93 -6.930 21.073 22.526 1.00 0.00 C ATOM 1477 CD GLN A 93 -7.926 21.542 23.582 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -7.848 21.156 24.753 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.894 22.399 23.132 1.00 0.00 N ATOM 0 H GLN A 93 -7.327 20.300 19.694 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.384 19.063 21.411 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.340 19.602 21.842 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.222 19.010 23.054 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.911 21.124 22.909 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.972 21.714 21.646 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.908 22.683 22.153 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.601 22.753 23.776 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.375 16.673 21.485 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.762 15.304 21.327 1.00 0.00 C ATOM 1490 C TYR A 94 -7.061 14.798 22.697 1.00 0.00 C ATOM 1491 O TYR A 94 -6.184 14.767 23.559 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.627 14.441 20.756 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.648 14.630 19.282 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.641 13.996 18.570 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.731 15.426 18.617 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.752 14.170 17.209 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.854 15.621 17.253 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.856 14.982 16.550 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.932 15.097 15.148 1.00 0.00 O ATOM 0 H TYR A 94 -5.645 16.819 22.182 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.607 15.246 20.640 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.665 14.742 21.171 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.771 13.392 21.014 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.341 13.355 19.085 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.923 15.893 19.161 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.538 13.672 16.661 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.165 16.274 16.737 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.726 14.623 14.823 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.325 14.379 22.902 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.784 13.745 24.104 1.00 0.00 C ATOM 1511 C ARG A 95 -8.347 12.316 24.031 1.00 0.00 C ATOM 1512 O ARG A 95 -8.893 11.534 23.255 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.326 13.756 24.184 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.946 13.198 25.476 1.00 0.00 C ATOM 1515 CD ARG A 95 -12.401 12.761 25.265 1.00 0.00 C ATOM 1516 NE ARG A 95 -13.158 13.888 24.642 1.00 0.00 N ATOM 1517 CZ ARG A 95 -14.359 13.665 24.029 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.914 12.418 24.025 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -15.009 14.695 23.413 1.00 0.00 N ATOM 0 H ARG A 95 -9.058 14.486 22.201 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.383 14.270 24.971 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.668 14.783 24.057 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.716 13.184 23.342 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.358 12.349 25.824 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.904 13.957 26.257 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.441 11.880 24.624 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.853 12.484 26.217 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.775 14.833 24.674 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.432 11.644 24.482 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.811 12.260 23.565 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.598 15.629 23.411 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.905 14.531 22.955 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.353 11.944 24.859 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.857 10.602 24.873 1.00 0.00 C ATOM 1535 C ALA A 96 -7.708 9.789 25.790 1.00 0.00 C ATOM 1536 O ALA A 96 -7.899 10.154 26.949 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.431 10.527 25.425 1.00 0.00 C ATOM 0 H ALA A 96 -6.893 12.572 25.518 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.872 10.236 23.846 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.092 9.491 25.418 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.768 11.129 24.804 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.416 10.907 26.446 1.00 0.00 H new ATOM 1543 N THR A 97 -8.229 8.655 25.272 1.00 0.00 N ATOM 1544 CA THR A 97 -9.018 7.744 26.052 1.00 0.00 C ATOM 1545 C THR A 97 -8.228 6.478 26.071 1.00 0.00 C ATOM 1546 O THR A 97 -8.124 5.796 25.054 1.00 0.00 O ATOM 1547 CB THR A 97 -10.386 7.496 25.459 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.032 8.740 25.231 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.245 6.652 26.421 1.00 0.00 C ATOM 0 H THR A 97 -8.101 8.368 24.302 1.00 0.00 H new ATOM 0 HA THR A 97 -9.205 8.151 27.046 1.00 0.00 H new ATOM 0 HB THR A 97 -10.268 6.956 24.520 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.919 8.582 24.845 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.227 6.483 25.979 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.757 5.694 26.599 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.360 7.182 27.367 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.647 6.148 27.242 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.818 4.984 27.386 1.00 0.00 C ATOM 1559 C ALA A 98 -7.681 3.765 27.463 1.00 0.00 C ATOM 1560 O ALA A 98 -8.536 3.656 28.340 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.975 5.019 28.667 1.00 0.00 C ATOM 0 H ALA A 98 -7.752 6.693 28.098 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.154 4.964 26.522 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.367 4.116 28.727 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.325 5.894 28.651 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.633 5.072 29.534 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.449 2.819 26.528 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.163 1.577 26.479 1.00 0.00 C ATOM 1569 C GLY A 99 -7.152 0.485 26.576 1.00 0.00 C ATOM 1570 O GLY A 99 -5.954 0.733 26.664 1.00 0.00 O ATOM 0 H GLY A 99 -6.751 2.921 25.792 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.879 1.512 27.298 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.730 1.495 25.552 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.627 -0.771 26.559 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.763 -1.910 26.629 1.00 0.00 C ATOM 1576 C PHE A 100 -7.658 -3.001 26.136 1.00 0.00 C ATOM 1577 O PHE A 100 -8.529 -3.464 26.872 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.257 -2.190 28.070 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.444 -3.441 28.145 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.134 -3.463 27.706 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.980 -4.585 28.710 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.413 -4.638 27.738 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.240 -5.747 28.789 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.958 -5.782 28.280 1.00 0.00 C ATOM 0 H PHE A 100 -8.619 -1.001 26.496 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.845 -1.790 26.054 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.658 -1.347 28.414 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.110 -2.271 28.744 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.674 -2.558 27.337 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.989 -4.568 29.094 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.412 -4.662 27.334 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.664 -6.628 29.249 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.386 -6.698 28.306 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.492 -3.410 24.857 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.445 -4.314 24.268 1.00 0.00 C ATOM 1596 C ARG A 101 -7.807 -5.054 23.127 1.00 0.00 C ATOM 1597 O ARG A 101 -6.690 -4.744 22.712 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.766 -3.640 23.804 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.637 -2.570 22.704 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.434 -2.896 21.427 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.846 -2.403 21.510 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.909 -3.224 21.765 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.733 -4.538 22.086 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.177 -2.720 21.685 1.00 0.00 N ATOM 0 H ARG A 101 -6.725 -3.126 24.248 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.733 -5.007 25.058 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.440 -4.419 23.446 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.240 -3.182 24.672 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.977 -1.613 23.099 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.585 -2.453 22.445 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -9.941 -2.444 20.566 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.435 -3.974 21.264 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.023 -1.408 21.370 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.792 -4.928 22.140 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.542 -5.130 22.272 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.322 -1.741 21.437 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.978 -3.323 21.873 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.533 -6.077 22.624 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.105 -6.914 21.539 1.00 0.00 C ATOM 1620 C ASN A 102 -8.229 -6.169 20.256 1.00 0.00 C ATOM 1621 O ASN A 102 -9.277 -5.605 19.957 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.026 -8.126 21.319 1.00 0.00 C ATOM 1623 CG ASN A 102 -8.903 -9.169 22.429 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -7.973 -9.165 23.242 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -9.888 -10.121 22.408 1.00 0.00 N ATOM 0 H ASN A 102 -9.452 -6.330 22.987 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.091 -7.220 21.797 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.060 -7.786 21.259 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.787 -8.590 20.362 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.878 -10.880 23.089 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.631 -10.071 21.711 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.148 -6.191 19.454 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.125 -5.468 18.215 1.00 0.00 C ATOM 1634 C VAL A 103 -7.697 -6.368 17.162 1.00 0.00 C ATOM 1635 O VAL A 103 -7.309 -7.530 17.047 1.00 0.00 O ATOM 1636 CB VAL A 103 -5.753 -4.936 17.837 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.294 -3.984 18.960 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -4.731 -6.067 17.612 1.00 0.00 C ATOM 0 H VAL A 103 -6.292 -6.706 19.660 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.729 -4.567 18.320 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.819 -4.403 16.888 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.309 -3.584 18.718 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.006 -3.164 19.055 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.242 -4.530 19.902 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.766 -5.637 17.344 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.627 -6.651 18.527 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.076 -6.714 16.806 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.662 -5.838 16.376 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.309 -6.585 15.332 1.00 0.00 C ATOM 1650 C VAL A 104 -8.685 -6.103 14.058 1.00 0.00 C ATOM 1651 O VAL A 104 -9.231 -5.253 13.356 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.814 -6.387 15.296 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.465 -7.221 14.180 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.381 -6.866 16.636 1.00 0.00 C ATOM 0 H VAL A 104 -8.997 -4.879 16.467 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.172 -7.654 15.495 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.025 -5.334 15.111 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.542 -7.055 14.183 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.055 -6.922 13.216 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.260 -8.278 14.349 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.463 -6.736 16.640 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.142 -7.920 16.776 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.942 -6.283 17.446 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.490 -6.637 13.755 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.681 -6.155 12.660 1.00 0.00 C ATOM 1666 C VAL A 105 -7.002 -7.063 11.507 1.00 0.00 C ATOM 1667 O VAL A 105 -7.215 -8.253 11.716 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.201 -6.120 12.978 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.985 -5.056 14.063 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.642 -7.461 13.475 1.00 0.00 C ATOM 0 H VAL A 105 -7.072 -7.412 14.270 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.912 -5.115 12.432 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.669 -5.891 12.055 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.926 -5.005 14.316 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.317 -4.086 13.693 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.558 -5.321 14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.577 -7.357 13.682 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.162 -7.756 14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.790 -8.223 12.710 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.072 -6.531 10.267 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.355 -7.351 9.117 1.00 0.00 C ATOM 1682 C ALA A 106 -6.058 -7.782 8.528 1.00 0.00 C ATOM 1683 O ALA A 106 -5.184 -6.951 8.279 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.143 -6.637 8.011 1.00 0.00 C ATOM 0 H ALA A 106 -6.934 -5.542 10.060 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.971 -8.178 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.313 -7.325 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.102 -6.301 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.575 -5.777 7.657 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.933 -9.110 8.304 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.711 -9.720 7.865 1.00 0.00 C ATOM 1692 C CYS A 107 -4.735 -9.982 6.398 1.00 0.00 C ATOM 1693 O CYS A 107 -5.748 -10.396 5.835 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.412 -11.069 8.548 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.299 -10.918 10.351 1.00 0.00 S ATOM 0 H CYS A 107 -6.699 -9.772 8.431 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.937 -9.001 8.135 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.195 -11.784 8.294 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.476 -11.470 8.160 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.564 -9.770 5.767 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.304 -10.185 4.424 1.00 0.00 C ATOM 1702 C GLU A 108 -1.862 -10.574 4.435 1.00 0.00 C ATOM 1703 O GLU A 108 -1.015 -9.824 4.921 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.518 -9.068 3.378 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.368 -9.504 1.911 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.375 -10.604 1.605 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -5.601 -10.344 1.744 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.931 -11.721 1.226 1.00 0.00 O ATOM 0 H GLU A 108 -2.775 -9.295 6.206 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.988 -10.984 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.515 -8.650 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.807 -8.266 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.530 -8.653 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.355 -9.862 1.728 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.571 -11.783 3.895 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.269 -12.393 3.715 1.00 0.00 C ATOM 1717 C ASN A 109 0.497 -12.671 4.987 1.00 0.00 C ATOM 1718 O ASN A 109 1.707 -12.889 4.943 1.00 0.00 O ATOM 1719 CB ASN A 109 0.641 -11.759 2.614 1.00 0.00 C ATOM 1720 CG ASN A 109 1.245 -10.385 2.954 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.194 -10.256 3.735 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.684 -9.327 2.292 1.00 0.00 N ATOM 0 H ASN A 109 -2.315 -12.391 3.552 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.558 -13.366 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.456 -12.450 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.057 -11.662 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.049 -8.385 2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.099 -9.480 1.656 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.195 -12.697 6.149 1.00 0.00 N ATOM 1730 CA GLY A 110 0.419 -13.009 7.409 1.00 0.00 C ATOM 1731 C GLY A 110 0.722 -11.765 8.185 1.00 0.00 C ATOM 1732 O GLY A 110 1.060 -11.860 9.366 1.00 0.00 O ATOM 0 H GLY A 110 -1.193 -12.499 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.243 -13.651 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.339 -13.569 7.240 1.00 0.00 H new ATOM 1736 N LEU A 111 0.606 -10.572 7.557 1.00 0.00 N ATOM 1737 CA LEU A 111 0.794 -9.340 8.271 1.00 0.00 C ATOM 1738 C LEU A 111 -0.573 -8.826 8.500 1.00 0.00 C ATOM 1739 O LEU A 111 -1.404 -8.991 7.613 1.00 0.00 O ATOM 1740 CB LEU A 111 1.485 -8.225 7.474 1.00 0.00 C ATOM 1741 CG LEU A 111 3.000 -8.449 7.384 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.575 -7.907 6.073 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.868 -8.014 8.571 1.00 0.00 C ATOM 0 H LEU A 111 0.385 -10.462 6.567 1.00 0.00 H new ATOM 0 HA LEU A 111 1.408 -9.559 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.063 -8.180 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.287 -7.263 7.946 1.00 0.00 H new ATOM 0 HG LEU A 111 3.064 -9.537 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.650 -8.084 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.103 -8.414 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.382 -6.836 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.914 -8.237 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.751 -6.943 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.557 -8.553 9.466 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.878 -8.198 9.603 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.032 -7.362 9.694 1.00 0.00 C ATOM 1757 C PRO A 112 -1.695 -6.140 8.907 1.00 0.00 C ATOM 1758 O PRO A 112 -0.791 -5.408 9.292 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.189 -7.094 11.176 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.807 -7.320 11.786 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.151 -8.326 10.850 1.00 0.00 C ATOM 0 HA PRO A 112 -2.964 -7.773 9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.534 -6.076 11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.927 -7.763 11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.237 -6.392 11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.878 -7.708 12.802 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.908 -8.108 10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.220 -9.339 11.246 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.413 -5.912 7.794 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.116 -4.839 6.895 1.00 0.00 C ATOM 1771 C VAL A 113 -3.044 -3.700 7.164 1.00 0.00 C ATOM 1772 O VAL A 113 -2.818 -2.589 6.688 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.253 -5.235 5.440 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.048 -6.118 5.066 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.601 -5.939 5.170 1.00 0.00 C ATOM 0 H VAL A 113 -3.212 -6.480 7.513 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.077 -4.558 7.067 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.253 -4.345 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.126 -6.416 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.125 -5.557 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.039 -7.007 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.666 -6.209 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.670 -6.839 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.420 -5.266 5.423 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.136 -3.969 7.906 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.200 -3.018 8.031 1.00 0.00 C ATOM 1787 C HIS A 114 -5.773 -3.250 9.389 1.00 0.00 C ATOM 1788 O HIS A 114 -5.336 -4.159 10.089 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.244 -3.247 6.917 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.555 -2.529 7.045 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.731 -1.229 6.660 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.739 -2.967 7.537 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -8.990 -0.889 6.906 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.623 -1.927 7.439 1.00 0.00 N ATOM 0 H HIS A 114 -4.282 -4.840 8.417 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.862 -1.987 7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -5.793 -2.959 5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.449 -4.316 6.861 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.946 -3.951 7.932 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.429 0.077 6.705 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.601 -1.946 7.726 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.745 -2.406 9.797 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.399 -2.494 11.069 1.00 0.00 C ATOM 1805 C LEU A 115 -8.611 -1.644 10.924 1.00 0.00 C ATOM 1806 O LEU A 115 -8.542 -0.493 10.495 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.452 -2.006 12.184 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.920 -1.651 13.622 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.062 -0.130 13.735 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.992 -2.556 14.247 1.00 0.00 C ATOM 0 H LEU A 115 -7.086 -1.637 9.220 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.673 -3.511 11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.687 -2.775 12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.956 -1.116 11.796 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.140 -1.930 14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.390 0.131 14.741 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.100 0.341 13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.797 0.222 13.011 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.229 -2.200 15.250 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.891 -2.533 13.632 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.617 -3.578 14.304 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.759 -2.243 11.293 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.029 -1.582 11.339 1.00 0.00 C ATOM 1824 C ASP A 116 -11.081 -0.717 12.555 1.00 0.00 C ATOM 1825 O ASP A 116 -10.728 -1.140 13.654 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.195 -2.577 11.464 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.809 -2.774 10.087 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -12.086 -3.241 9.169 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -14.018 -2.450 9.936 1.00 0.00 O ATOM 0 H ASP A 116 -9.805 -3.224 11.570 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.129 -1.015 10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.841 -3.528 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.942 -2.199 12.162 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.588 0.524 12.379 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.785 1.451 13.462 1.00 0.00 C ATOM 1836 C GLN A 117 -13.218 1.351 13.915 1.00 0.00 C ATOM 1837 O GLN A 117 -13.836 2.359 14.250 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.629 2.932 13.037 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.358 3.284 12.249 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.085 3.055 13.063 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.065 2.657 12.489 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.143 3.335 14.399 1.00 0.00 N ATOM 0 H GLN A 117 -11.866 0.890 11.469 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.042 1.195 14.218 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.493 3.207 12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.657 3.550 13.934 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.318 2.682 11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.404 4.328 11.938 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.016 3.661 14.814 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.313 3.218 14.981 1.00 0.00 H new ATOM 1851 N SER A 118 -13.793 0.130 13.923 1.00 0.00 N ATOM 1852 CA SER A 118 -15.165 -0.097 14.269 1.00 0.00 C ATOM 1853 C SER A 118 -15.204 -0.473 15.714 1.00 0.00 C ATOM 1854 O SER A 118 -16.256 -0.438 16.347 1.00 0.00 O ATOM 1855 CB SER A 118 -15.783 -1.243 13.447 1.00 0.00 C ATOM 1856 OG SER A 118 -17.171 -1.372 13.718 1.00 0.00 O ATOM 0 H SER A 118 -13.288 -0.723 13.682 1.00 0.00 H new ATOM 0 HA SER A 118 -15.737 0.807 14.062 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.632 -1.055 12.384 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.275 -2.178 13.681 1.00 0.00 H new ATOM 0 HG SER A 118 -17.341 -1.165 14.661 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.026 -0.855 16.257 1.00 0.00 N ATOM 1863 CA ILE A 119 -13.897 -1.317 17.610 1.00 0.00 C ATOM 1864 C ILE A 119 -13.490 -0.143 18.437 1.00 0.00 C ATOM 1865 O ILE A 119 -13.649 -0.139 19.657 1.00 0.00 O ATOM 1866 CB ILE A 119 -12.913 -2.470 17.757 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.429 -2.070 17.903 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.048 -3.330 16.496 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.472 -3.264 17.853 1.00 0.00 C ATOM 0 H ILE A 119 -13.145 -0.842 15.743 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.852 -1.722 17.946 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.168 -2.982 18.685 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.168 -1.371 17.108 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.293 -1.544 18.848 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.359 -4.173 16.555 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.070 -3.701 16.416 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -12.811 -2.729 15.618 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.446 -2.913 17.961 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.707 -3.953 18.664 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -10.581 -3.778 16.898 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.917 0.870 17.757 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.283 1.979 18.390 1.00 0.00 C ATOM 1883 C PHE A 120 -13.159 3.170 18.254 1.00 0.00 C ATOM 1884 O PHE A 120 -13.079 4.105 19.048 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.942 2.302 17.721 1.00 0.00 C ATOM 1886 CG PHE A 120 -9.966 1.215 18.031 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -9.664 0.950 19.355 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.330 0.482 17.041 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -8.741 -0.015 19.695 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.348 -0.420 17.387 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.056 -0.683 18.707 1.00 0.00 C ATOM 0 H PHE A 120 -12.896 0.915 16.738 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.111 1.726 19.436 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.072 2.394 16.643 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.564 3.260 18.079 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.160 1.509 20.135 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.603 0.617 16.005 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.556 -0.246 20.734 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.798 -0.930 16.610 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.297 -1.407 18.964 1.00 0.00 H new