USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=26 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 44 THR OG1 : rot 163:sc= 0.69 USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 117 GLN : amide:sc= -0.496 X(o=0.19,f=-0.013) USER MOD Set 2.1: A 25 TYR OH : rot 25:sc= 0.341 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.25! C(o=-1.1!,f=-8.3!) USER MOD Set 2.3: A 79 THR OG1 : rot 85:sc= 0.807 USER MOD Set 3.1: A 63 ASN : amide:sc= 0.00434 X(o=0.0077,f=-0.022) USER MOD Set 3.2: A 73 LYS NZ :NH3+ -118:sc= 0.00338 (180deg=-0.022) USER MOD Set 4.1: A 61 ASN : amide:sc= -0.536 K(o=-0.21,f=-1.3) USER MOD Set 4.2: A 74 SER OG : rot 47:sc= 0.324 USER MOD Set 5.1: A 13 HIS : no HE2:sc= -1.93 K(o=-2.4,f=-0.88) USER MOD Set 5.2: A 43 ASN : amide:sc= -0.474 K(o=-2.4,f=-3.6!) USER MOD Set 6.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 4 SER OG : rot -95:sc= 0.21 USER MOD Set 7.2: A 8 HIS : no HD1:sc= -0.383 X(o=-0.17,f=-0.1) USER MOD Single : A 3 ASN : amide:sc=-0.00441 X(o=-0.0044,f=-0.46) USER MOD Single : A 7 THR OG1 : rot -6:sc= 0.957 USER MOD Single : A 11 THR OG1 : rot 67:sc= 1.04 USER MOD Single : A 12 GLN : amide:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 14 TYR OH : rot -5:sc= 0.562 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 30 MET CE :methyl -117:sc= -0.287 (180deg=-0.505) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0.0382 USER MOD Single : A 37 SER OG : rot 54:sc= 0.0624 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc=-0.00514 (180deg=-0.0989) USER MOD Single : A 65 HIS : no HD1:sc=-0.00862 X(o=-0.0086,f=-0.00058) USER MOD Single : A 68 ASN : amide:sc=-0.00486 X(o=-0.0049,f=-0.067) USER MOD Single : A 72 SER OG : rot 170:sc= -0.0983 USER MOD Single : A 75 SER OG : rot 98:sc= 0.534 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.0331 (180deg=-0.283) USER MOD Single : A 84 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 87 SER OG : rot -107:sc= 0.297 USER MOD Single : A 93 GLN : amide:sc= -0.313 X(o=-0.31,f=0.0075) USER MOD Single : A 94 TYR OH : rot 13:sc= 0.175 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.6!) USER MOD Single : A 109 ASN : amide:sc= -0.0635 K(o=-0.063,f=-2!) USER MOD Single : A 114 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-1.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 5.304 -4.798 2.334 1.00 0.00 N ATOM 33 CA ASN A 3 5.792 -5.084 3.650 1.00 0.00 C ATOM 34 C ASN A 3 5.679 -3.799 4.393 1.00 0.00 C ATOM 35 O ASN A 3 5.614 -3.774 5.621 1.00 0.00 O ATOM 36 CB ASN A 3 7.261 -5.553 3.649 1.00 0.00 C ATOM 37 CG ASN A 3 7.676 -5.982 5.057 1.00 0.00 C ATOM 38 OD1 ASN A 3 7.066 -6.869 5.665 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.761 -5.325 5.571 1.00 0.00 N ATOM 0 HA ASN A 3 5.219 -5.895 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.385 -6.385 2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.908 -4.748 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.105 -5.560 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.225 -4.601 5.023 1.00 0.00 H new ATOM 46 N SER A 4 5.652 -2.689 3.626 1.00 0.00 N ATOM 47 CA SER A 4 5.577 -1.366 4.168 1.00 0.00 C ATOM 48 C SER A 4 4.142 -0.961 4.331 1.00 0.00 C ATOM 49 O SER A 4 3.867 0.085 4.909 1.00 0.00 O ATOM 50 CB SER A 4 6.294 -0.337 3.276 1.00 0.00 C ATOM 51 OG SER A 4 6.495 0.884 3.971 1.00 0.00 O ATOM 0 H SER A 4 5.683 -2.714 2.607 1.00 0.00 H new ATOM 0 HA SER A 4 6.077 -1.383 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.254 -0.738 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.704 -0.156 2.377 1.00 0.00 H new ATOM 0 HG SER A 4 5.762 1.502 3.766 1.00 0.00 H new ATOM 57 N ARG A 5 3.190 -1.779 3.827 1.00 0.00 N ATOM 58 CA ARG A 5 1.783 -1.510 3.950 1.00 0.00 C ATOM 59 C ARG A 5 1.369 -1.752 5.371 1.00 0.00 C ATOM 60 O ARG A 5 0.623 -0.955 5.952 1.00 0.00 O ATOM 61 CB ARG A 5 0.940 -2.403 3.013 1.00 0.00 C ATOM 62 CG ARG A 5 -0.567 -2.101 2.986 1.00 0.00 C ATOM 63 CD ARG A 5 -0.916 -0.695 2.489 1.00 0.00 C ATOM 64 NE ARG A 5 -2.402 -0.580 2.499 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.011 0.584 2.126 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.265 1.658 1.734 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.372 0.673 2.146 1.00 0.00 N ATOM 0 H ARG A 5 3.402 -2.642 3.326 1.00 0.00 H new ATOM 0 HA ARG A 5 1.607 -0.473 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.330 -2.306 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.079 -3.443 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.062 -2.833 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.970 -2.230 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.467 0.063 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.524 -0.534 1.485 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.969 -1.378 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.247 1.594 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.725 2.525 1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.931 -0.128 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.830 1.541 1.868 1.00 0.00 H new ATOM 81 N TYR A 6 1.873 -2.863 5.961 1.00 0.00 N ATOM 82 CA TYR A 6 1.722 -3.171 7.331 1.00 0.00 C ATOM 83 C TYR A 6 2.291 -2.126 8.210 1.00 0.00 C ATOM 84 O TYR A 6 1.601 -1.727 9.135 1.00 0.00 O ATOM 85 CB TYR A 6 2.482 -4.460 7.481 1.00 0.00 C ATOM 86 CG TYR A 6 2.991 -4.793 8.813 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.146 -5.045 9.858 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.327 -5.087 8.916 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.623 -5.609 11.010 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.817 -5.651 10.072 1.00 0.00 C ATOM 91 CZ TYR A 6 3.964 -5.907 11.132 1.00 0.00 C ATOM 92 OH TYR A 6 4.449 -6.477 12.327 1.00 0.00 O ATOM 0 H TYR A 6 2.405 -3.565 5.447 1.00 0.00 H new ATOM 0 HA TYR A 6 0.674 -3.242 7.621 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.833 -5.273 7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.328 -4.434 6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.098 -4.798 9.774 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.993 -4.876 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.948 -5.821 11.826 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.866 -5.894 10.152 1.00 0.00 H new ATOM 0 HH TYR A 6 5.414 -6.627 12.250 1.00 0.00 H new ATOM 102 N THR A 7 3.533 -1.656 7.970 1.00 0.00 N ATOM 103 CA THR A 7 4.088 -0.642 8.825 1.00 0.00 C ATOM 104 C THR A 7 3.797 0.785 8.379 1.00 0.00 C ATOM 105 O THR A 7 4.298 1.740 8.962 1.00 0.00 O ATOM 106 CB THR A 7 5.472 -0.987 9.348 1.00 0.00 C ATOM 107 OG1 THR A 7 6.111 0.072 10.045 1.00 0.00 O ATOM 108 CG2 THR A 7 6.380 -1.517 8.233 1.00 0.00 C ATOM 0 H THR A 7 4.138 -1.965 7.209 1.00 0.00 H new ATOM 0 HA THR A 7 3.517 -0.650 9.754 1.00 0.00 H new ATOM 0 HB THR A 7 5.306 -1.777 10.080 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.564 0.883 9.981 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.361 -1.753 8.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.941 -2.417 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.485 -0.758 7.458 1.00 0.00 H new ATOM 116 N HIS A 8 2.891 0.988 7.392 1.00 0.00 N ATOM 117 CA HIS A 8 2.197 2.248 7.245 1.00 0.00 C ATOM 118 C HIS A 8 1.110 2.280 8.270 1.00 0.00 C ATOM 119 O HIS A 8 0.888 3.297 8.935 1.00 0.00 O ATOM 120 CB HIS A 8 1.507 2.461 5.885 1.00 0.00 C ATOM 121 CG HIS A 8 2.468 2.671 4.757 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.085 2.560 3.449 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.770 3.038 4.765 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.129 2.846 2.684 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.165 3.141 3.458 1.00 0.00 N ATOM 0 H HIS A 8 2.638 0.285 6.698 1.00 0.00 H new ATOM 0 HA HIS A 8 2.955 3.024 7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.882 1.596 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.844 3.324 5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.382 3.216 5.637 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.135 2.840 1.604 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.097 3.400 3.135 1.00 0.00 H new ATOM 134 N PHE A 9 0.431 1.120 8.415 1.00 0.00 N ATOM 135 CA PHE A 9 -0.529 0.872 9.464 1.00 0.00 C ATOM 136 C PHE A 9 0.120 0.967 10.828 1.00 0.00 C ATOM 137 O PHE A 9 -0.515 1.442 11.759 1.00 0.00 O ATOM 138 CB PHE A 9 -1.300 -0.459 9.242 1.00 0.00 C ATOM 139 CG PHE A 9 -1.743 -1.163 10.489 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.819 -0.700 11.228 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.157 -2.366 10.854 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.249 -1.389 12.344 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.642 -3.095 11.917 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.668 -2.592 12.685 1.00 0.00 C ATOM 0 H PHE A 9 0.552 0.328 7.784 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.284 1.657 9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.178 -0.252 8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.665 -1.135 8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.325 0.206 10.929 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.309 -2.736 10.297 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.044 -0.984 12.953 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.218 -4.061 12.148 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.016 -3.137 13.550 1.00 0.00 H new ATOM 154 N LEU A 10 1.395 0.547 10.988 1.00 0.00 N ATOM 155 CA LEU A 10 2.106 0.650 12.240 1.00 0.00 C ATOM 156 C LEU A 10 2.781 1.977 12.435 1.00 0.00 C ATOM 157 O LEU A 10 3.146 2.283 13.566 1.00 0.00 O ATOM 158 CB LEU A 10 3.153 -0.448 12.441 1.00 0.00 C ATOM 159 CG LEU A 10 2.580 -1.876 12.379 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.612 -2.865 12.888 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.321 -2.142 13.205 1.00 0.00 C ATOM 0 H LEU A 10 1.944 0.128 10.237 1.00 0.00 H new ATOM 0 HA LEU A 10 1.319 0.533 12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.925 -0.344 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.637 -0.303 13.407 1.00 0.00 H new ATOM 0 HG LEU A 10 2.317 -1.993 11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.202 -3.874 12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.507 -2.808 12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.869 -2.624 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.016 -3.181 13.079 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.529 -1.950 14.258 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.519 -1.485 12.868 1.00 0.00 H new ATOM 173 N THR A 11 2.954 2.806 11.379 1.00 0.00 N ATOM 174 CA THR A 11 3.372 4.179 11.570 1.00 0.00 C ATOM 175 C THR A 11 2.287 4.915 12.292 1.00 0.00 C ATOM 176 O THR A 11 2.554 5.597 13.281 1.00 0.00 O ATOM 177 CB THR A 11 3.745 4.914 10.296 1.00 0.00 C ATOM 178 OG1 THR A 11 4.941 4.357 9.774 1.00 0.00 O ATOM 179 CG2 THR A 11 4.001 6.416 10.535 1.00 0.00 C ATOM 0 H THR A 11 2.808 2.536 10.406 1.00 0.00 H new ATOM 0 HA THR A 11 4.291 4.146 12.155 1.00 0.00 H new ATOM 0 HB THR A 11 2.907 4.808 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.772 3.439 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.264 6.895 9.592 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.100 6.879 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.820 6.537 11.244 1.00 0.00 H new ATOM 187 N GLN A 12 1.043 4.773 11.801 1.00 0.00 N ATOM 188 CA GLN A 12 -0.094 5.438 12.383 1.00 0.00 C ATOM 189 C GLN A 12 -0.488 4.868 13.700 1.00 0.00 C ATOM 190 O GLN A 12 -0.833 5.624 14.604 1.00 0.00 O ATOM 191 CB GLN A 12 -1.351 5.321 11.507 1.00 0.00 C ATOM 192 CG GLN A 12 -1.198 5.971 10.134 1.00 0.00 C ATOM 193 CD GLN A 12 -2.492 5.733 9.361 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.556 4.860 8.487 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.543 6.538 9.705 1.00 0.00 N ATOM 0 H GLN A 12 0.818 4.193 10.993 1.00 0.00 H new ATOM 0 HA GLN A 12 0.235 6.472 12.483 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.596 4.267 11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.191 5.782 12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.004 7.039 10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.350 5.543 9.600 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.429 7.241 10.435 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.441 6.435 9.232 1.00 0.00 H new ATOM 204 N HIS A 13 -0.494 3.531 13.823 1.00 0.00 N ATOM 205 CA HIS A 13 -1.086 2.908 14.963 1.00 0.00 C ATOM 206 C HIS A 13 -0.044 2.528 15.955 1.00 0.00 C ATOM 207 O HIS A 13 -0.189 2.862 17.123 1.00 0.00 O ATOM 208 CB HIS A 13 -1.949 1.690 14.604 1.00 0.00 C ATOM 209 CG HIS A 13 -3.127 2.110 13.768 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.334 2.391 14.342 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.221 2.455 12.461 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.138 2.887 13.412 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.488 2.931 12.258 1.00 0.00 N ATOM 0 H HIS A 13 -0.094 2.887 13.141 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.754 3.648 15.405 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.350 0.960 14.059 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.297 1.202 15.514 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.576 2.244 15.322 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.442 2.370 11.718 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.158 3.204 13.569 1.00 0.00 H new ATOM 222 N TYR A 14 1.022 1.810 15.549 1.00 0.00 N ATOM 223 CA TYR A 14 1.893 1.217 16.522 1.00 0.00 C ATOM 224 C TYR A 14 2.802 2.248 17.117 1.00 0.00 C ATOM 225 O TYR A 14 3.635 2.846 16.437 1.00 0.00 O ATOM 226 CB TYR A 14 2.731 0.093 15.931 1.00 0.00 C ATOM 227 CG TYR A 14 3.506 -0.654 16.947 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.942 -1.188 18.090 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.833 -0.880 16.671 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.721 -1.908 18.971 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.620 -1.574 17.562 1.00 0.00 C ATOM 232 CZ TYR A 14 5.065 -2.082 18.716 1.00 0.00 C ATOM 233 OH TYR A 14 5.879 -2.791 19.622 1.00 0.00 O ATOM 0 H TYR A 14 1.277 1.643 14.576 1.00 0.00 H new ATOM 0 HA TYR A 14 1.255 0.796 17.299 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.077 -0.599 15.402 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.418 0.510 15.194 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.891 -1.041 18.293 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.261 -0.511 15.750 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.279 -2.335 19.859 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.670 -1.720 17.357 1.00 0.00 H new ATOM 0 HH TYR A 14 5.357 -3.024 20.418 1.00 0.00 H new ATOM 243 N ASP A 15 2.640 2.460 18.435 1.00 0.00 N ATOM 244 CA ASP A 15 3.483 3.308 19.202 1.00 0.00 C ATOM 245 C ASP A 15 3.696 2.415 20.362 1.00 0.00 C ATOM 246 O ASP A 15 2.813 2.283 21.202 1.00 0.00 O ATOM 247 CB ASP A 15 2.822 4.622 19.662 1.00 0.00 C ATOM 248 CG ASP A 15 3.793 5.336 20.594 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.921 5.666 20.137 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.418 5.569 21.774 1.00 0.00 O ATOM 0 H ASP A 15 1.896 2.024 18.980 1.00 0.00 H new ATOM 0 HA ASP A 15 4.362 3.656 18.659 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.586 5.251 18.803 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.882 4.417 20.175 1.00 0.00 H new ATOM 255 N ALA A 16 4.865 1.748 20.374 1.00 0.00 N ATOM 256 CA ALA A 16 5.215 0.620 21.208 1.00 0.00 C ATOM 257 C ALA A 16 4.933 0.722 22.674 1.00 0.00 C ATOM 258 O ALA A 16 4.600 -0.285 23.299 1.00 0.00 O ATOM 259 CB ALA A 16 6.682 0.205 21.058 1.00 0.00 C ATOM 0 H ALA A 16 5.630 2.013 19.754 1.00 0.00 H new ATOM 0 HA ALA A 16 4.530 -0.130 20.812 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.888 -0.646 21.707 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.877 -0.073 20.022 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.326 1.039 21.338 1.00 0.00 H new ATOM 265 N LYS A 17 5.039 1.928 23.258 1.00 0.00 N ATOM 266 CA LYS A 17 4.539 2.120 24.587 1.00 0.00 C ATOM 267 C LYS A 17 4.226 3.586 24.701 1.00 0.00 C ATOM 268 O LYS A 17 4.966 4.380 24.124 1.00 0.00 O ATOM 269 CB LYS A 17 5.588 1.765 25.668 1.00 0.00 C ATOM 270 CG LYS A 17 5.011 1.377 27.038 1.00 0.00 C ATOM 271 CD LYS A 17 4.255 0.041 27.015 1.00 0.00 C ATOM 272 CE LYS A 17 3.807 -0.416 28.405 1.00 0.00 C ATOM 273 NZ LYS A 17 3.091 -1.707 28.308 1.00 0.00 N ATOM 0 H LYS A 17 5.459 2.751 22.826 1.00 0.00 H new ATOM 0 HA LYS A 17 3.676 1.475 24.749 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.198 0.939 25.302 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.253 2.619 25.800 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.822 1.316 27.764 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.337 2.163 27.378 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.381 0.135 26.370 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.894 -0.725 26.575 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.673 -0.519 29.059 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.158 0.337 28.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.791 -2.009 29.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.255 -1.596 27.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.723 -2.425 27.900 1.00 0.00 H new ATOM 287 N PRO A 18 3.182 3.995 25.416 1.00 0.00 N ATOM 288 CA PRO A 18 2.832 5.380 25.567 1.00 0.00 C ATOM 289 C PRO A 18 3.790 6.041 26.506 1.00 0.00 C ATOM 290 O PRO A 18 4.358 5.376 27.374 1.00 0.00 O ATOM 291 CB PRO A 18 1.445 5.360 26.224 1.00 0.00 C ATOM 292 CG PRO A 18 1.243 3.932 26.724 1.00 0.00 C ATOM 293 CD PRO A 18 2.037 3.160 25.694 1.00 0.00 C ATOM 0 HA PRO A 18 2.851 5.915 24.617 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.391 6.074 27.046 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.670 5.638 25.510 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.626 3.789 27.734 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.192 3.643 26.738 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.341 2.185 26.076 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.449 2.980 24.794 1.00 0.00 H new ATOM 301 N GLN A 19 3.933 7.373 26.345 1.00 0.00 N ATOM 302 CA GLN A 19 4.696 8.189 27.243 1.00 0.00 C ATOM 303 C GLN A 19 3.842 8.403 28.447 1.00 0.00 C ATOM 304 O GLN A 19 4.189 7.997 29.555 1.00 0.00 O ATOM 305 CB GLN A 19 5.092 9.553 26.640 1.00 0.00 C ATOM 306 CG GLN A 19 5.874 9.440 25.322 1.00 0.00 C ATOM 307 CD GLN A 19 7.137 8.608 25.542 1.00 0.00 C ATOM 308 OE1 GLN A 19 8.020 8.976 26.326 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.210 7.451 24.813 1.00 0.00 N ATOM 0 H GLN A 19 3.510 7.892 25.576 1.00 0.00 H new ATOM 0 HA GLN A 19 5.633 7.683 27.475 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.190 10.140 26.468 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.695 10.100 27.365 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.251 8.977 24.557 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.140 10.433 24.959 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.451 7.198 24.181 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.024 6.843 24.902 1.00 0.00 H new ATOM 318 N GLY A 20 2.678 9.031 28.214 1.00 0.00 N ATOM 319 CA GLY A 20 1.600 9.040 29.156 1.00 0.00 C ATOM 320 C GLY A 20 0.450 8.564 28.361 1.00 0.00 C ATOM 321 O GLY A 20 0.577 8.303 27.170 1.00 0.00 O ATOM 0 H GLY A 20 2.479 9.543 27.355 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.801 8.385 30.004 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.426 10.038 29.558 1.00 0.00 H new ATOM 325 N ARG A 21 -0.707 8.441 29.022 1.00 0.00 N ATOM 326 CA ARG A 21 -1.905 7.950 28.398 1.00 0.00 C ATOM 327 C ARG A 21 -2.916 9.026 28.612 1.00 0.00 C ATOM 328 O ARG A 21 -3.963 8.810 29.221 1.00 0.00 O ATOM 329 CB ARG A 21 -2.392 6.609 28.993 1.00 0.00 C ATOM 330 CG ARG A 21 -1.462 5.435 28.643 1.00 0.00 C ATOM 331 CD ARG A 21 -1.665 4.175 29.493 1.00 0.00 C ATOM 332 NE ARG A 21 -3.016 3.613 29.226 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.444 2.513 29.913 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.612 1.886 30.795 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.710 2.042 29.726 1.00 0.00 N ATOM 0 H ARG A 21 -0.822 8.684 30.006 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.731 7.736 27.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.463 6.701 30.077 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.395 6.395 28.625 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.607 5.176 27.594 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.429 5.765 28.749 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.899 3.437 29.258 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.561 4.416 30.551 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.622 4.049 28.531 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.666 2.239 30.943 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.936 1.065 31.306 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.337 2.511 29.073 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.029 1.220 30.239 1.00 0.00 H new ATOM 349 N ASP A 22 -2.582 10.238 28.120 1.00 0.00 N ATOM 350 CA ASP A 22 -3.358 11.414 28.375 1.00 0.00 C ATOM 351 C ASP A 22 -3.335 12.248 27.135 1.00 0.00 C ATOM 352 O ASP A 22 -2.695 11.891 26.148 1.00 0.00 O ATOM 353 CB ASP A 22 -2.862 12.206 29.601 1.00 0.00 C ATOM 354 CG ASP A 22 -1.349 12.414 29.566 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.867 13.292 28.804 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.653 11.699 30.337 1.00 0.00 O ATOM 0 H ASP A 22 -1.761 10.402 27.537 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.379 11.123 28.622 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.362 13.174 29.635 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.135 11.674 30.512 1.00 0.00 H new ATOM 361 N ASP A 23 -4.062 13.388 27.175 1.00 0.00 N ATOM 362 CA ASP A 23 -4.350 14.214 26.032 1.00 0.00 C ATOM 363 C ASP A 23 -3.161 14.976 25.522 1.00 0.00 C ATOM 364 O ASP A 23 -3.175 15.423 24.377 1.00 0.00 O ATOM 365 CB ASP A 23 -5.496 15.223 26.279 1.00 0.00 C ATOM 366 CG ASP A 23 -5.105 16.288 27.302 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.903 15.938 28.495 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.024 17.479 26.899 1.00 0.00 O ATOM 0 H ASP A 23 -4.466 13.749 28.039 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.659 13.492 25.276 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.765 15.704 25.339 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.380 14.690 26.629 1.00 0.00 H new ATOM 373 N ARG A 24 -2.107 15.136 26.356 1.00 0.00 N ATOM 374 CA ARG A 24 -0.903 15.811 25.967 1.00 0.00 C ATOM 375 C ARG A 24 -0.028 14.850 25.220 1.00 0.00 C ATOM 376 O ARG A 24 0.749 15.268 24.361 1.00 0.00 O ATOM 377 CB ARG A 24 -0.134 16.379 27.182 1.00 0.00 C ATOM 378 CG ARG A 24 1.085 17.263 26.857 1.00 0.00 C ATOM 379 CD ARG A 24 0.751 18.521 26.048 1.00 0.00 C ATOM 380 NE ARG A 24 2.025 19.263 25.824 1.00 0.00 N ATOM 381 CZ ARG A 24 2.032 20.454 25.157 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.866 20.995 24.701 1.00 0.00 N ATOM 383 NH2 ARG A 24 3.213 21.106 24.948 1.00 0.00 N ATOM 0 H ARG A 24 -2.094 14.790 27.315 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.177 16.655 25.334 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.829 16.961 27.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.201 15.544 27.797 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.563 17.561 27.790 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.812 16.670 26.302 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.291 18.254 25.097 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.035 19.143 26.585 1.00 0.00 H new ATOM 0 HE ARG A 24 2.902 18.876 26.173 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.017 20.509 24.858 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.877 21.885 24.203 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.085 20.703 25.290 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.223 21.996 24.450 1.00 0.00 H new ATOM 397 N TYR A 25 -0.158 13.535 25.526 1.00 0.00 N ATOM 398 CA TYR A 25 0.593 12.513 24.848 1.00 0.00 C ATOM 399 C TYR A 25 0.005 12.371 23.494 1.00 0.00 C ATOM 400 O TYR A 25 0.753 12.217 22.531 1.00 0.00 O ATOM 401 CB TYR A 25 0.584 11.133 25.556 1.00 0.00 C ATOM 402 CG TYR A 25 0.616 9.960 24.603 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.772 9.562 23.942 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.537 9.207 24.422 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.755 8.476 23.088 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.553 8.124 23.570 1.00 0.00 C ATOM 407 CZ TYR A 25 0.592 7.762 22.897 1.00 0.00 C ATOM 408 OH TYR A 25 0.571 6.669 22.008 1.00 0.00 O ATOM 0 H TYR A 25 -0.787 13.182 26.247 1.00 0.00 H new ATOM 0 HA TYR A 25 1.638 12.824 24.831 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.444 11.071 26.223 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.308 11.060 26.178 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.692 10.106 24.097 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.436 9.475 24.958 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.656 8.186 22.568 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.463 7.560 23.430 1.00 0.00 H new ATOM 0 HH TYR A 25 1.476 6.303 21.919 1.00 0.00 H new ATOM 418 N CYS A 26 -1.343 12.405 23.393 1.00 0.00 N ATOM 419 CA CYS A 26 -1.957 12.083 22.148 1.00 0.00 C ATOM 420 C CYS A 26 -1.953 13.234 21.191 1.00 0.00 C ATOM 421 O CYS A 26 -1.967 13.026 19.978 1.00 0.00 O ATOM 422 CB CYS A 26 -3.326 11.429 22.228 1.00 0.00 C ATOM 423 SG CYS A 26 -3.313 10.160 20.940 1.00 0.00 S ATOM 0 H CYS A 26 -1.983 12.648 24.149 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.310 11.301 21.751 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.498 10.992 23.212 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.121 12.155 22.059 1.00 0.00 H new ATOM 428 N GLU A 27 -1.895 14.473 21.732 1.00 0.00 N ATOM 429 CA GLU A 27 -1.690 15.667 20.960 1.00 0.00 C ATOM 430 C GLU A 27 -0.316 15.622 20.366 1.00 0.00 C ATOM 431 O GLU A 27 -0.153 15.928 19.184 1.00 0.00 O ATOM 432 CB GLU A 27 -1.865 16.944 21.820 1.00 0.00 C ATOM 433 CG GLU A 27 -1.711 18.292 21.091 1.00 0.00 C ATOM 434 CD GLU A 27 -0.272 18.802 21.143 1.00 0.00 C ATOM 435 OE1 GLU A 27 0.271 18.935 22.271 1.00 0.00 O ATOM 436 OE2 GLU A 27 0.298 19.069 20.051 1.00 0.00 O ATOM 0 H GLU A 27 -1.993 14.647 22.732 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.441 15.709 20.171 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.854 16.915 22.277 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.138 16.911 22.632 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.020 18.181 20.052 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.375 19.029 21.544 1.00 0.00 H new ATOM 443 N SER A 28 0.695 15.246 21.188 1.00 0.00 N ATOM 444 CA SER A 28 2.074 15.218 20.786 1.00 0.00 C ATOM 445 C SER A 28 2.356 14.212 19.714 1.00 0.00 C ATOM 446 O SER A 28 3.111 14.509 18.791 1.00 0.00 O ATOM 447 CB SER A 28 3.037 14.943 21.955 1.00 0.00 C ATOM 448 OG SER A 28 4.386 15.007 21.515 1.00 0.00 O ATOM 0 H SER A 28 0.546 14.955 22.154 1.00 0.00 H new ATOM 0 HA SER A 28 2.250 16.221 20.396 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.872 15.672 22.748 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.833 13.960 22.378 1.00 0.00 H new ATOM 0 HG SER A 28 4.985 14.831 22.270 1.00 0.00 H new ATOM 454 N ILE A 29 1.757 13.009 19.810 1.00 0.00 N ATOM 455 CA ILE A 29 2.041 11.942 18.886 1.00 0.00 C ATOM 456 C ILE A 29 1.302 12.130 17.603 1.00 0.00 C ATOM 457 O ILE A 29 1.798 11.724 16.554 1.00 0.00 O ATOM 458 CB ILE A 29 1.880 10.529 19.432 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.397 9.471 18.444 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.426 10.223 19.810 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.831 8.191 19.134 1.00 0.00 C ATOM 0 H ILE A 29 1.073 12.771 20.529 1.00 0.00 H new ATOM 0 HA ILE A 29 3.111 12.023 18.697 1.00 0.00 H new ATOM 0 HB ILE A 29 2.487 10.481 20.336 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.615 9.242 17.720 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.238 9.881 17.885 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.356 9.205 20.195 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.094 10.924 20.576 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.208 10.322 18.929 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.187 7.479 18.389 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.633 8.411 19.838 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.985 7.762 19.671 1.00 0.00 H new ATOM 473 N MET A 30 0.118 12.775 17.634 1.00 0.00 N ATOM 474 CA MET A 30 -0.577 13.038 16.408 1.00 0.00 C ATOM 475 C MET A 30 0.054 14.161 15.652 1.00 0.00 C ATOM 476 O MET A 30 -0.076 14.214 14.432 1.00 0.00 O ATOM 477 CB MET A 30 -2.051 13.408 16.576 1.00 0.00 C ATOM 478 CG MET A 30 -3.004 12.262 16.227 1.00 0.00 C ATOM 479 SD MET A 30 -3.889 11.573 17.637 1.00 0.00 S ATOM 480 CE MET A 30 -4.914 10.533 16.560 1.00 0.00 C ATOM 0 H MET A 30 -0.347 13.106 18.480 1.00 0.00 H new ATOM 0 HA MET A 30 -0.511 12.091 15.872 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.226 13.717 17.607 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.278 14.266 15.943 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.730 12.619 15.497 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.435 11.466 15.747 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.959 10.827 16.658 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.597 10.659 15.525 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.802 9.488 16.849 1.00 0.00 H new ATOM 490 N ARG A 31 0.745 15.086 16.352 1.00 0.00 N ATOM 491 CA ARG A 31 1.422 16.173 15.710 1.00 0.00 C ATOM 492 C ARG A 31 2.717 15.710 15.094 1.00 0.00 C ATOM 493 O ARG A 31 3.117 16.225 14.050 1.00 0.00 O ATOM 494 CB ARG A 31 1.685 17.335 16.686 1.00 0.00 C ATOM 495 CG ARG A 31 2.017 18.667 16.003 1.00 0.00 C ATOM 496 CD ARG A 31 1.985 19.841 16.983 1.00 0.00 C ATOM 497 NE ARG A 31 2.270 21.088 16.217 1.00 0.00 N ATOM 498 CZ ARG A 31 2.159 22.312 16.812 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.782 22.411 18.120 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.422 23.443 16.094 1.00 0.00 N ATOM 0 H ARG A 31 0.834 15.079 17.368 1.00 0.00 H new ATOM 0 HA ARG A 31 0.767 16.539 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.806 17.472 17.316 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.509 17.062 17.345 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.005 18.603 15.547 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.305 18.848 15.198 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.011 19.906 17.468 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.725 19.700 17.771 1.00 0.00 H new ATOM 0 HE ARG A 31 2.551 21.026 15.238 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.582 21.568 18.658 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.701 23.328 18.559 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.701 23.373 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.340 24.358 16.536 1.00 0.00 H new ATOM 514 N ARG A 32 3.401 14.733 15.736 1.00 0.00 N ATOM 515 CA ARG A 32 4.668 14.220 15.277 1.00 0.00 C ATOM 516 C ARG A 32 4.506 13.346 14.073 1.00 0.00 C ATOM 517 O ARG A 32 5.187 13.562 13.071 1.00 0.00 O ATOM 518 CB ARG A 32 5.403 13.373 16.327 1.00 0.00 C ATOM 519 CG ARG A 32 6.063 14.213 17.426 1.00 0.00 C ATOM 520 CD ARG A 32 6.583 13.353 18.582 1.00 0.00 C ATOM 521 NE ARG A 32 7.089 14.260 19.656 1.00 0.00 N ATOM 522 CZ ARG A 32 8.384 14.695 19.695 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.282 14.318 18.741 1.00 0.00 N ATOM 524 NH2 ARG A 32 8.783 15.522 20.707 1.00 0.00 N ATOM 0 H ARG A 32 3.067 14.290 16.592 1.00 0.00 H new ATOM 0 HA ARG A 32 5.251 15.113 15.051 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.697 12.679 16.784 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.165 12.772 15.831 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.889 14.782 16.999 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.343 14.936 17.809 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.787 12.716 18.968 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.379 12.694 18.236 1.00 0.00 H new ATOM 0 HE ARG A 32 6.445 14.565 20.386 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.991 13.702 17.982 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.245 14.652 18.786 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.117 15.809 21.424 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.747 15.852 20.745 1.00 0.00 H new ATOM 538 N ARG A 33 3.613 12.329 14.156 1.00 0.00 N ATOM 539 CA ARG A 33 3.336 11.428 13.064 1.00 0.00 C ATOM 540 C ARG A 33 2.638 12.128 11.935 1.00 0.00 C ATOM 541 O ARG A 33 2.900 11.844 10.768 1.00 0.00 O ATOM 542 CB ARG A 33 2.449 10.252 13.514 1.00 0.00 C ATOM 543 CG ARG A 33 3.099 8.858 13.505 1.00 0.00 C ATOM 544 CD ARG A 33 4.516 8.741 14.095 1.00 0.00 C ATOM 545 NE ARG A 33 4.563 9.303 15.475 1.00 0.00 N ATOM 546 CZ ARG A 33 5.765 9.415 16.116 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.912 9.000 15.505 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.826 9.946 17.372 1.00 0.00 N ATOM 0 H ARG A 33 3.073 12.129 14.998 1.00 0.00 H new ATOM 0 HA ARG A 33 4.303 11.055 12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.097 10.458 14.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.570 10.222 12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.447 8.177 14.053 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.132 8.507 12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.822 7.695 14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.225 9.270 13.458 1.00 0.00 H new ATOM 0 HE ARG A 33 3.704 9.602 15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.875 8.604 14.566 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.807 9.086 15.987 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.973 10.260 17.835 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.724 10.028 17.848 1.00 0.00 H new ATOM 562 N GLY A 34 1.749 13.078 12.277 1.00 0.00 N ATOM 563 CA GLY A 34 1.100 13.938 11.328 1.00 0.00 C ATOM 564 C GLY A 34 -0.088 13.264 10.755 1.00 0.00 C ATOM 565 O GLY A 34 -0.143 12.908 9.580 1.00 0.00 O ATOM 0 H GLY A 34 1.471 13.256 13.242 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.801 14.867 11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.796 14.204 10.532 1.00 0.00 H new ATOM 569 N LEU A 35 -1.101 13.156 11.628 1.00 0.00 N ATOM 570 CA LEU A 35 -2.455 12.846 11.294 1.00 0.00 C ATOM 571 C LEU A 35 -3.155 14.150 11.242 1.00 0.00 C ATOM 572 O LEU A 35 -4.318 14.248 10.857 1.00 0.00 O ATOM 573 CB LEU A 35 -3.168 12.178 12.461 1.00 0.00 C ATOM 574 CG LEU A 35 -2.768 10.723 12.758 1.00 0.00 C ATOM 575 CD1 LEU A 35 -3.160 9.814 11.589 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.307 10.477 13.181 1.00 0.00 C ATOM 0 H LEU A 35 -0.967 13.294 12.630 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.461 12.232 10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.989 12.772 13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.241 12.206 12.269 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.336 10.470 13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.871 8.787 11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.238 9.862 11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.650 10.145 10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.155 9.413 13.361 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.638 10.811 12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.094 11.033 14.094 1.00 0.00 H new ATOM 588 N THR A 36 -2.411 15.172 11.691 1.00 0.00 N ATOM 589 CA THR A 36 -2.895 16.497 11.992 1.00 0.00 C ATOM 590 C THR A 36 -3.047 17.370 10.783 1.00 0.00 C ATOM 591 O THR A 36 -3.452 18.521 10.915 1.00 0.00 O ATOM 592 CB THR A 36 -2.002 17.245 12.947 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.641 17.002 12.625 1.00 0.00 O ATOM 594 CG2 THR A 36 -2.313 16.774 14.371 1.00 0.00 C ATOM 0 H THR A 36 -1.409 15.076 11.857 1.00 0.00 H new ATOM 0 HA THR A 36 -3.870 16.308 12.441 1.00 0.00 H new ATOM 0 HB THR A 36 -2.181 18.318 12.871 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.070 17.610 13.139 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.675 17.305 15.077 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.359 16.978 14.602 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.127 15.703 14.449 1.00 0.00 H new ATOM 602 N SER A 37 -2.764 16.851 9.574 1.00 0.00 N ATOM 603 CA SER A 37 -2.937 17.598 8.368 1.00 0.00 C ATOM 604 C SER A 37 -3.937 16.903 7.477 1.00 0.00 C ATOM 605 O SER A 37 -3.545 15.988 6.756 1.00 0.00 O ATOM 606 CB SER A 37 -1.597 17.684 7.626 1.00 0.00 C ATOM 607 OG SER A 37 -0.867 16.474 7.777 1.00 0.00 O ATOM 0 H SER A 37 -2.412 15.904 9.433 1.00 0.00 H new ATOM 0 HA SER A 37 -3.295 18.597 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.772 17.881 6.568 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.013 18.519 8.013 1.00 0.00 H new ATOM 0 HG SER A 37 -1.427 15.718 7.503 1.00 0.00 H new ATOM 613 N PRO A 38 -5.212 17.278 7.416 1.00 0.00 N ATOM 614 CA PRO A 38 -5.999 17.924 8.438 1.00 0.00 C ATOM 615 C PRO A 38 -6.356 16.860 9.443 1.00 0.00 C ATOM 616 O PRO A 38 -6.228 15.674 9.138 1.00 0.00 O ATOM 617 CB PRO A 38 -7.251 18.392 7.696 1.00 0.00 C ATOM 618 CG PRO A 38 -7.433 17.375 6.565 1.00 0.00 C ATOM 619 CD PRO A 38 -6.001 16.939 6.244 1.00 0.00 C ATOM 0 HA PRO A 38 -5.503 18.748 8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.119 18.411 8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.126 19.402 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.049 16.532 6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.921 17.821 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.955 15.870 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.625 17.451 5.358 1.00 0.00 H new ATOM 627 N CYS A 39 -6.786 17.285 10.656 1.00 0.00 N ATOM 628 CA CYS A 39 -6.902 16.432 11.801 1.00 0.00 C ATOM 629 C CYS A 39 -7.930 15.353 11.643 1.00 0.00 C ATOM 630 O CYS A 39 -9.106 15.614 11.396 1.00 0.00 O ATOM 631 CB CYS A 39 -7.191 17.264 13.056 1.00 0.00 C ATOM 632 SG CYS A 39 -5.889 18.514 13.262 1.00 0.00 S ATOM 0 H CYS A 39 -7.059 18.250 10.840 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.942 15.926 11.905 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.164 17.747 12.970 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.233 16.618 13.933 1.00 0.00 H new ATOM 637 N LYS A 40 -7.434 14.100 11.783 1.00 0.00 N ATOM 638 CA LYS A 40 -8.168 12.869 11.667 1.00 0.00 C ATOM 639 C LYS A 40 -9.068 12.765 12.853 1.00 0.00 C ATOM 640 O LYS A 40 -8.673 13.128 13.957 1.00 0.00 O ATOM 641 CB LYS A 40 -7.201 11.658 11.660 1.00 0.00 C ATOM 642 CG LYS A 40 -7.832 10.255 11.578 1.00 0.00 C ATOM 643 CD LYS A 40 -8.678 10.005 10.323 1.00 0.00 C ATOM 644 CE LYS A 40 -9.294 8.603 10.307 1.00 0.00 C ATOM 645 NZ LYS A 40 -10.102 8.414 9.084 1.00 0.00 N ATOM 0 H LYS A 40 -6.449 13.939 11.992 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.736 12.864 10.737 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.522 11.773 10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.595 11.704 12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.037 9.511 11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.457 10.101 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.473 10.749 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.057 10.137 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.506 7.851 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.918 8.462 11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.515 7.459 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.865 9.121 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.496 8.529 8.246 1.00 0.00 H new ATOM 659 N ASP A 41 -10.304 12.268 12.625 1.00 0.00 N ATOM 660 CA ASP A 41 -11.355 12.267 13.602 1.00 0.00 C ATOM 661 C ASP A 41 -11.119 11.300 14.718 1.00 0.00 C ATOM 662 O ASP A 41 -11.308 11.666 15.875 1.00 0.00 O ATOM 663 CB ASP A 41 -12.726 11.929 12.996 1.00 0.00 C ATOM 664 CG ASP A 41 -13.016 12.950 11.907 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.097 14.164 12.235 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.162 12.528 10.728 1.00 0.00 O ATOM 0 H ASP A 41 -10.579 11.855 11.734 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.353 13.286 13.989 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.723 10.920 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.500 11.958 13.763 1.00 0.00 H new ATOM 671 N ILE A 42 -10.733 10.043 14.420 1.00 0.00 N ATOM 672 CA ILE A 42 -10.513 9.103 15.484 1.00 0.00 C ATOM 673 C ILE A 42 -9.454 8.150 15.025 1.00 0.00 C ATOM 674 O ILE A 42 -9.524 7.602 13.925 1.00 0.00 O ATOM 675 CB ILE A 42 -11.792 8.417 15.968 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.560 7.652 17.291 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.442 7.549 14.868 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.868 7.328 18.019 1.00 0.00 C ATOM 0 H ILE A 42 -10.577 9.684 13.478 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.170 9.628 16.375 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.518 9.199 16.190 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.025 6.725 17.082 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.922 8.248 17.944 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.346 7.083 15.259 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.697 8.176 14.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.742 6.775 14.554 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.648 6.791 18.941 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.392 8.254 18.255 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.496 6.708 17.379 1.00 0.00 H new ATOM 690 N ASN A 43 -8.421 7.953 15.874 1.00 0.00 N ATOM 691 CA ASN A 43 -7.379 7.015 15.539 1.00 0.00 C ATOM 692 C ASN A 43 -6.754 6.539 16.811 1.00 0.00 C ATOM 693 O ASN A 43 -6.507 7.313 17.735 1.00 0.00 O ATOM 694 CB ASN A 43 -6.279 7.585 14.614 1.00 0.00 C ATOM 695 CG ASN A 43 -5.409 6.464 14.042 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.883 5.674 13.216 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.112 6.426 14.472 1.00 0.00 N ATOM 0 H ASN A 43 -8.306 8.428 16.769 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.848 6.206 14.979 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.738 8.146 13.800 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.657 8.285 15.172 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.475 5.717 14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.781 7.107 15.156 1.00 0.00 H new ATOM 704 N THR A 44 -6.500 5.216 16.862 1.00 0.00 N ATOM 705 CA THR A 44 -6.013 4.539 18.026 1.00 0.00 C ATOM 706 C THR A 44 -4.552 4.301 17.871 1.00 0.00 C ATOM 707 O THR A 44 -4.105 3.885 16.806 1.00 0.00 O ATOM 708 CB THR A 44 -6.713 3.216 18.155 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.100 3.477 18.234 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.290 2.442 19.411 1.00 0.00 C ATOM 0 H THR A 44 -6.639 4.596 16.064 1.00 0.00 H new ATOM 0 HA THR A 44 -6.200 5.145 18.913 1.00 0.00 H new ATOM 0 HB THR A 44 -6.451 2.603 17.293 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.599 2.654 18.048 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.827 1.494 19.453 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.218 2.250 19.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.524 3.031 20.298 1.00 0.00 H new ATOM 718 N PHE A 45 -3.780 4.536 18.955 1.00 0.00 N ATOM 719 CA PHE A 45 -2.413 4.096 18.999 1.00 0.00 C ATOM 720 C PHE A 45 -2.382 2.842 19.806 1.00 0.00 C ATOM 721 O PHE A 45 -2.754 2.838 20.977 1.00 0.00 O ATOM 722 CB PHE A 45 -1.388 5.076 19.601 1.00 0.00 C ATOM 723 CG PHE A 45 -1.307 6.275 18.718 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.253 7.261 18.884 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.348 6.428 17.724 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.295 8.338 18.031 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.365 7.534 16.902 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.352 8.485 17.034 1.00 0.00 C ATOM 0 H PHE A 45 -4.098 5.025 19.792 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.107 3.979 17.959 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.687 5.366 20.608 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.411 4.599 19.684 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.968 7.188 19.690 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.416 5.675 17.595 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.074 9.077 18.142 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.400 7.656 16.150 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.388 9.334 16.367 1.00 0.00 H new ATOM 738 N ILE A 46 -1.925 1.745 19.172 1.00 0.00 N ATOM 739 CA ILE A 46 -1.796 0.461 19.787 1.00 0.00 C ATOM 740 C ILE A 46 -0.425 0.447 20.352 1.00 0.00 C ATOM 741 O ILE A 46 0.487 1.083 19.837 1.00 0.00 O ATOM 742 CB ILE A 46 -1.865 -0.672 18.785 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.160 -0.568 17.954 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.705 -2.054 19.460 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.172 -1.588 16.821 1.00 0.00 C ATOM 0 H ILE A 46 -1.635 1.754 18.194 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.599 0.318 20.511 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.021 -0.577 18.102 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.023 -0.728 18.600 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.251 0.437 17.543 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.761 -2.837 18.704 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.739 -2.104 19.963 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.502 -2.197 20.190 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.097 -1.490 16.253 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.322 -1.410 16.163 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.106 -2.594 17.236 1.00 0.00 H new ATOM 757 N HIS A 47 -0.279 -0.309 21.443 1.00 0.00 N ATOM 758 CA HIS A 47 0.952 -0.453 22.168 1.00 0.00 C ATOM 759 C HIS A 47 1.057 -1.861 22.634 1.00 0.00 C ATOM 760 O HIS A 47 0.081 -2.440 23.109 1.00 0.00 O ATOM 761 CB HIS A 47 1.033 0.377 23.447 1.00 0.00 C ATOM 762 CG HIS A 47 0.150 1.580 23.444 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.397 2.672 22.647 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.914 1.917 24.222 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.502 3.614 22.985 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.323 3.206 23.932 1.00 0.00 N ATOM 0 H HIS A 47 -1.047 -0.847 21.845 1.00 0.00 H new ATOM 0 HA HIS A 47 1.733 -0.130 21.480 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.768 -0.254 24.295 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.064 0.696 23.597 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.123 2.753 21.935 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.372 1.273 24.958 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.546 4.593 22.532 1.00 0.00 H new ATOM 774 N GLY A 48 2.271 -2.434 22.558 1.00 0.00 N ATOM 775 CA GLY A 48 2.468 -3.749 23.086 1.00 0.00 C ATOM 776 C GLY A 48 3.615 -4.344 22.358 1.00 0.00 C ATOM 777 O GLY A 48 4.632 -3.685 22.146 1.00 0.00 O ATOM 0 H GLY A 48 3.096 -2.002 22.143 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.671 -3.708 24.156 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.572 -4.355 22.954 1.00 0.00 H new ATOM 781 N ASN A 49 3.458 -5.623 21.969 1.00 0.00 N ATOM 782 CA ASN A 49 4.439 -6.321 21.196 1.00 0.00 C ATOM 783 C ASN A 49 4.042 -6.206 19.764 1.00 0.00 C ATOM 784 O ASN A 49 2.873 -6.335 19.407 1.00 0.00 O ATOM 785 CB ASN A 49 4.486 -7.824 21.504 1.00 0.00 C ATOM 786 CG ASN A 49 5.687 -8.169 22.378 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.970 -7.524 23.393 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.398 -9.255 21.940 1.00 0.00 N ATOM 0 H ASN A 49 2.635 -6.182 22.195 1.00 0.00 H new ATOM 0 HA ASN A 49 5.410 -5.884 21.428 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.567 -8.124 22.008 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.537 -8.388 20.572 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.214 -9.574 22.462 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.111 -9.744 21.092 1.00 0.00 H new ATOM 795 N LYS A 50 5.054 -6.004 18.899 1.00 0.00 N ATOM 796 CA LYS A 50 4.868 -5.879 17.482 1.00 0.00 C ATOM 797 C LYS A 50 4.851 -7.258 16.895 1.00 0.00 C ATOM 798 O LYS A 50 4.341 -7.483 15.798 1.00 0.00 O ATOM 799 CB LYS A 50 6.076 -5.146 16.861 1.00 0.00 C ATOM 800 CG LYS A 50 5.904 -4.611 15.435 1.00 0.00 C ATOM 801 CD LYS A 50 7.170 -3.866 14.981 1.00 0.00 C ATOM 802 CE LYS A 50 7.030 -3.150 13.638 1.00 0.00 C ATOM 803 NZ LYS A 50 6.880 -4.130 12.540 1.00 0.00 N ATOM 0 H LYS A 50 6.028 -5.925 19.191 1.00 0.00 H new ATOM 0 HA LYS A 50 3.945 -5.334 17.284 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.334 -4.308 17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.926 -5.828 16.867 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.697 -5.436 14.754 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.046 -3.940 15.393 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.440 -3.135 15.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.993 -4.578 14.916 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.165 -2.487 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.906 -2.526 13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.786 -3.626 11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.717 -4.746 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.031 -4.708 12.704 1.00 0.00 H new ATOM 817 N ARG A 51 5.432 -8.211 17.659 1.00 0.00 N ATOM 818 CA ARG A 51 5.454 -9.618 17.391 1.00 0.00 C ATOM 819 C ARG A 51 4.075 -10.168 17.578 1.00 0.00 C ATOM 820 O ARG A 51 3.648 -11.059 16.841 1.00 0.00 O ATOM 821 CB ARG A 51 6.450 -10.309 18.351 1.00 0.00 C ATOM 822 CG ARG A 51 6.400 -11.841 18.414 1.00 0.00 C ATOM 823 CD ARG A 51 7.585 -12.430 19.183 1.00 0.00 C ATOM 824 NE ARG A 51 7.403 -13.909 19.227 1.00 0.00 N ATOM 825 CZ ARG A 51 8.286 -14.700 19.906 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.357 -14.146 20.547 1.00 0.00 N ATOM 827 NH2 ARG A 51 8.097 -16.052 19.942 1.00 0.00 N ATOM 0 H ARG A 51 5.919 -7.977 18.524 1.00 0.00 H new ATOM 0 HA ARG A 51 5.776 -9.802 16.366 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.459 -10.014 18.064 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.278 -9.922 19.355 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.470 -12.153 18.890 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.391 -12.244 17.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.525 -12.174 18.693 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.629 -12.019 20.192 1.00 0.00 H new ATOM 0 HE ARG A 51 6.611 -14.335 18.745 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.501 -13.137 20.520 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.013 -14.742 21.052 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.299 -16.468 19.463 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.754 -16.646 20.448 1.00 0.00 H new ATOM 841 N SER A 52 3.354 -9.625 18.577 1.00 0.00 N ATOM 842 CA SER A 52 2.004 -9.969 18.864 1.00 0.00 C ATOM 843 C SER A 52 1.086 -9.413 17.831 1.00 0.00 C ATOM 844 O SER A 52 0.139 -10.110 17.485 1.00 0.00 O ATOM 845 CB SER A 52 1.540 -9.519 20.249 1.00 0.00 C ATOM 846 OG SER A 52 2.159 -10.315 21.247 1.00 0.00 O ATOM 0 H SER A 52 3.732 -8.918 19.208 1.00 0.00 H new ATOM 0 HA SER A 52 1.969 -11.058 18.851 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.789 -8.469 20.402 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.456 -9.604 20.324 1.00 0.00 H new ATOM 0 HG SER A 52 1.859 -10.021 22.132 1.00 0.00 H new ATOM 852 N ILE A 53 1.337 -8.174 17.326 1.00 0.00 N ATOM 853 CA ILE A 53 0.548 -7.575 16.263 1.00 0.00 C ATOM 854 C ILE A 53 0.565 -8.426 15.019 1.00 0.00 C ATOM 855 O ILE A 53 -0.501 -8.691 14.463 1.00 0.00 O ATOM 856 CB ILE A 53 0.940 -6.142 15.925 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.605 -5.239 17.128 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.214 -5.640 14.656 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.212 -3.842 17.023 1.00 0.00 C ATOM 0 H ILE A 53 2.096 -7.579 17.658 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.467 -7.530 16.658 1.00 0.00 H new ATOM 0 HB ILE A 53 2.010 -6.108 15.719 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.478 -5.151 17.217 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.962 -5.715 18.041 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.517 -4.615 14.445 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.475 -6.277 13.811 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.864 -5.674 14.816 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.937 -3.259 17.902 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.298 -3.920 16.964 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.835 -3.348 16.127 1.00 0.00 H new ATOM 871 N LYS A 54 1.762 -8.873 14.570 1.00 0.00 N ATOM 872 CA LYS A 54 1.904 -9.720 13.406 1.00 0.00 C ATOM 873 C LYS A 54 1.200 -11.041 13.595 1.00 0.00 C ATOM 874 O LYS A 54 0.514 -11.510 12.685 1.00 0.00 O ATOM 875 CB LYS A 54 3.373 -9.987 13.018 1.00 0.00 C ATOM 876 CG LYS A 54 3.526 -10.589 11.609 1.00 0.00 C ATOM 877 CD LYS A 54 4.980 -10.719 11.127 1.00 0.00 C ATOM 878 CE LYS A 54 5.655 -9.377 10.830 1.00 0.00 C ATOM 879 NZ LYS A 54 6.994 -9.595 10.241 1.00 0.00 N ATOM 0 H LYS A 54 2.648 -8.644 15.021 1.00 0.00 H new ATOM 0 HA LYS A 54 1.439 -9.164 12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.932 -9.053 13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.817 -10.665 13.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.063 -11.576 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.976 -9.969 10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.559 -11.246 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.001 -11.333 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.039 -8.796 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.744 -8.796 11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.441 -8.677 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.584 -10.131 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.900 -10.131 9.355 1.00 0.00 H new ATOM 893 N ALA A 55 1.322 -11.654 14.802 1.00 0.00 N ATOM 894 CA ALA A 55 0.700 -12.921 15.100 1.00 0.00 C ATOM 895 C ALA A 55 -0.774 -12.831 15.382 1.00 0.00 C ATOM 896 O ALA A 55 -1.364 -13.842 15.745 1.00 0.00 O ATOM 897 CB ALA A 55 1.312 -13.659 16.306 1.00 0.00 C ATOM 0 H ALA A 55 1.858 -11.265 15.577 1.00 0.00 H new ATOM 0 HA ALA A 55 0.883 -13.475 14.179 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.786 -14.601 16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.366 -13.859 16.114 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.217 -13.040 17.198 1.00 0.00 H new ATOM 903 N ILE A 56 -1.436 -11.663 15.195 1.00 0.00 N ATOM 904 CA ILE A 56 -2.872 -11.629 15.245 1.00 0.00 C ATOM 905 C ILE A 56 -3.373 -12.236 13.972 1.00 0.00 C ATOM 906 O ILE A 56 -4.414 -12.891 13.976 1.00 0.00 O ATOM 907 CB ILE A 56 -3.489 -10.254 15.439 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.958 -9.545 16.702 1.00 0.00 C ATOM 909 CG2 ILE A 56 -5.025 -10.368 15.523 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.962 -10.405 17.967 1.00 0.00 C ATOM 0 H ILE A 56 -0.988 -10.765 15.014 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.174 -12.186 16.132 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.205 -9.653 14.576 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.939 -9.208 16.512 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.560 -8.654 16.883 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.456 -9.377 15.662 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.408 -10.804 14.601 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.297 -11.004 16.366 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.572 -9.824 18.803 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.981 -10.721 18.189 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.335 -11.283 17.812 1.00 0.00 H new ATOM 922 N CYS A 57 -2.614 -12.057 12.863 1.00 0.00 N ATOM 923 CA CYS A 57 -2.998 -12.589 11.582 1.00 0.00 C ATOM 924 C CYS A 57 -2.840 -14.084 11.557 1.00 0.00 C ATOM 925 O CYS A 57 -3.634 -14.788 10.932 1.00 0.00 O ATOM 926 CB CYS A 57 -2.217 -12.006 10.394 1.00 0.00 C ATOM 927 SG CYS A 57 -2.895 -12.636 8.833 1.00 0.00 S ATOM 0 H CYS A 57 -1.733 -11.543 12.856 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.042 -12.298 11.463 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.273 -10.918 10.411 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.163 -12.272 10.476 1.00 0.00 H new ATOM 932 N GLU A 58 -1.813 -14.597 12.269 1.00 0.00 N ATOM 933 CA GLU A 58 -1.601 -16.006 12.438 1.00 0.00 C ATOM 934 C GLU A 58 -2.649 -16.578 13.346 1.00 0.00 C ATOM 935 O GLU A 58 -3.279 -15.866 14.129 1.00 0.00 O ATOM 936 CB GLU A 58 -0.244 -16.316 13.094 1.00 0.00 C ATOM 937 CG GLU A 58 0.953 -15.876 12.250 1.00 0.00 C ATOM 938 CD GLU A 58 2.211 -16.108 13.073 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.457 -17.279 13.468 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.944 -15.113 13.322 1.00 0.00 O ATOM 0 H GLU A 58 -1.115 -14.019 12.737 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.640 -16.442 11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.196 -15.822 14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.175 -17.388 13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.994 -16.444 11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.863 -14.824 11.978 1.00 0.00 H new ATOM 947 N ASN A 59 -2.824 -17.917 13.262 1.00 0.00 N ATOM 948 CA ASN A 59 -3.780 -18.649 14.045 1.00 0.00 C ATOM 949 C ASN A 59 -3.267 -18.796 15.448 1.00 0.00 C ATOM 950 O ASN A 59 -4.047 -18.872 16.398 1.00 0.00 O ATOM 951 CB ASN A 59 -4.066 -20.049 13.466 1.00 0.00 C ATOM 952 CG ASN A 59 -5.235 -20.698 14.210 1.00 0.00 C ATOM 953 OD1 ASN A 59 -6.337 -20.141 14.282 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.971 -21.920 14.765 1.00 0.00 N ATOM 0 H ASN A 59 -2.283 -18.507 12.629 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.713 -18.086 14.029 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.299 -19.971 12.404 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.178 -20.675 13.552 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.703 -22.420 15.270 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.042 -22.332 14.674 1.00 0.00 H new ATOM 961 N LYS A 60 -1.929 -18.820 15.593 1.00 0.00 N ATOM 962 CA LYS A 60 -1.303 -18.702 16.875 1.00 0.00 C ATOM 963 C LYS A 60 -1.378 -17.249 17.219 1.00 0.00 C ATOM 964 O LYS A 60 -0.905 -16.421 16.448 1.00 0.00 O ATOM 965 CB LYS A 60 0.178 -19.134 16.842 1.00 0.00 C ATOM 966 CG LYS A 60 0.890 -19.079 18.202 1.00 0.00 C ATOM 967 CD LYS A 60 2.327 -19.618 18.129 1.00 0.00 C ATOM 968 CE LYS A 60 3.051 -19.601 19.480 1.00 0.00 C ATOM 969 NZ LYS A 60 3.198 -18.215 19.977 1.00 0.00 N ATOM 0 H LYS A 60 -1.276 -18.922 14.816 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.802 -19.345 17.600 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.238 -20.152 16.456 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.714 -18.495 16.140 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.908 -18.049 18.559 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.323 -19.659 18.930 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.306 -20.639 17.749 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.895 -19.024 17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.494 -20.195 20.204 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.033 -20.062 19.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.820 -18.209 20.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.613 -17.621 19.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.264 -17.839 20.239 1.00 0.00 H new ATOM 983 N ASN A 61 -1.967 -16.943 18.398 1.00 0.00 N ATOM 984 CA ASN A 61 -2.095 -15.649 19.017 1.00 0.00 C ATOM 985 C ASN A 61 -3.123 -14.775 18.334 1.00 0.00 C ATOM 986 O ASN A 61 -2.973 -13.559 18.263 1.00 0.00 O ATOM 987 CB ASN A 61 -0.721 -14.959 19.166 1.00 0.00 C ATOM 988 CG ASN A 61 -0.760 -13.794 20.149 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.172 -13.930 21.306 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.297 -12.614 19.634 1.00 0.00 N ATOM 0 H ASN A 61 -2.393 -17.672 18.970 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.478 -15.811 20.024 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.015 -15.690 19.501 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.391 -14.598 18.192 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.278 -11.776 20.216 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.029 -12.572 18.668 1.00 0.00 H new ATOM 997 N GLY A 62 -4.233 -15.362 17.843 1.00 0.00 N ATOM 998 CA GLY A 62 -5.306 -14.561 17.317 1.00 0.00 C ATOM 999 C GLY A 62 -6.176 -15.473 16.519 1.00 0.00 C ATOM 1000 O GLY A 62 -5.702 -16.455 15.954 1.00 0.00 O ATOM 0 H GLY A 62 -4.389 -16.369 17.809 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.872 -14.095 18.124 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.917 -13.755 16.694 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.489 -15.169 16.479 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.466 -16.031 15.878 1.00 0.00 C ATOM 1006 C ASN A 63 -8.734 -15.514 14.496 1.00 0.00 C ATOM 1007 O ASN A 63 -8.602 -14.308 14.295 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.818 -15.988 16.612 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.683 -16.660 17.976 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.847 -17.880 18.094 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.390 -15.833 19.025 1.00 0.00 N ATOM 0 H ASN A 63 -7.879 -14.311 16.870 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.073 -17.047 15.905 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.143 -14.955 16.735 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.581 -16.494 16.020 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.296 -16.216 19.966 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.265 -14.833 18.867 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.127 -16.339 13.534 1.00 0.00 N ATOM 1019 CA PRO A 64 -9.749 -15.883 12.322 1.00 0.00 C ATOM 1020 C PRO A 64 -11.126 -15.420 12.704 1.00 0.00 C ATOM 1021 O PRO A 64 -11.843 -16.141 13.398 1.00 0.00 O ATOM 1022 CB PRO A 64 -9.781 -17.112 11.410 1.00 0.00 C ATOM 1023 CG PRO A 64 -9.719 -18.315 12.357 1.00 0.00 C ATOM 1024 CD PRO A 64 -8.947 -17.780 13.564 1.00 0.00 C ATOM 0 HA PRO A 64 -9.240 -15.063 11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.689 -17.132 10.807 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.939 -17.111 10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.715 -18.657 12.637 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.209 -19.162 11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.329 -18.204 14.493 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.891 -18.045 13.503 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.497 -14.210 12.244 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.767 -13.620 12.537 1.00 0.00 C ATOM 1034 C HIS A 65 -13.426 -13.368 11.223 1.00 0.00 C ATOM 1035 O HIS A 65 -13.108 -12.392 10.545 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.637 -12.285 13.296 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.941 -11.571 13.495 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.977 -12.102 14.214 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.341 -10.353 13.058 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.976 -11.231 14.210 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.616 -10.160 13.516 1.00 0.00 N ATOM 0 H HIS A 65 -10.900 -13.629 11.655 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.339 -14.292 13.177 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.185 -12.474 14.270 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.956 -11.632 12.750 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.763 -9.664 12.461 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.931 -11.371 14.695 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.191 -9.334 13.352 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.395 -14.251 10.887 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.242 -14.242 9.716 1.00 0.00 C ATOM 1052 C ARG A 66 -14.524 -14.072 8.406 1.00 0.00 C ATOM 1053 O ARG A 66 -13.887 -15.006 7.920 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.530 -13.370 9.805 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.399 -11.912 10.293 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.746 -11.191 10.405 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.530 -11.850 11.490 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.797 -11.439 11.789 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.372 -10.413 11.097 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -20.493 -12.061 12.786 1.00 0.00 N ATOM 0 H ARG A 66 -14.606 -15.046 11.491 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.607 -15.269 9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.985 -13.349 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.230 -13.880 10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.908 -11.904 11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.756 -11.362 9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.596 -10.135 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.286 -11.242 9.459 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.113 -12.618 12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.855 -9.948 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.319 -10.111 11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.066 -12.829 13.304 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.440 -11.757 13.013 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.658 -12.879 7.793 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.274 -12.615 6.441 1.00 0.00 C ATOM 1076 C GLU A 67 -12.992 -11.848 6.465 1.00 0.00 C ATOM 1077 O GLU A 67 -12.960 -10.636 6.255 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.358 -11.833 5.668 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.118 -11.758 4.154 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.286 -11.011 3.523 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.438 -11.510 3.630 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.038 -9.931 2.925 1.00 0.00 O ATOM 0 H GLU A 67 -15.052 -12.064 8.262 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.146 -13.563 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.326 -12.300 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.414 -10.820 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.180 -11.245 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.035 -12.760 3.732 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.901 -12.605 6.714 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.496 -12.260 6.608 1.00 0.00 C ATOM 1091 C ASN A 68 -10.050 -11.153 7.522 1.00 0.00 C ATOM 1092 O ASN A 68 -9.065 -10.468 7.247 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.931 -12.086 5.161 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.599 -10.990 4.313 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.442 -11.298 3.460 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.200 -9.702 4.536 1.00 0.00 N ATOM 0 H ASN A 68 -12.012 -13.570 7.025 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.030 -13.175 6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.865 -11.868 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.028 -13.036 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.601 -8.942 3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.501 -9.501 5.252 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.750 -10.983 8.662 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.354 -10.050 9.672 1.00 0.00 C ATOM 1105 C LEU A 69 -9.868 -10.962 10.727 1.00 0.00 C ATOM 1106 O LEU A 69 -10.124 -12.161 10.650 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.501 -9.176 10.211 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.312 -8.420 9.131 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.320 -7.464 9.788 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.451 -7.608 8.152 1.00 0.00 C ATOM 0 H LEU A 69 -11.601 -11.500 8.884 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.634 -9.321 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.183 -9.808 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.086 -8.448 10.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.816 -9.198 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.882 -6.940 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.007 -8.034 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.786 -6.739 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.095 -7.109 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.879 -6.862 8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.767 -8.276 7.629 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.120 -10.447 11.714 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.573 -11.322 12.709 1.00 0.00 C ATOM 1124 C ARG A 70 -8.631 -10.591 13.995 1.00 0.00 C ATOM 1125 O ARG A 70 -8.065 -9.507 14.126 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.105 -11.742 12.508 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.891 -12.967 11.604 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.708 -12.671 10.115 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.484 -13.979 9.438 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.529 -14.093 8.078 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.797 -13.007 7.298 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.300 -15.305 7.495 1.00 0.00 N ATOM 0 H ARG A 70 -8.896 -9.458 11.827 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.160 -12.239 12.660 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.558 -10.899 12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.667 -11.950 13.484 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.013 -13.508 11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.745 -13.634 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.588 -12.172 9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.861 -12.003 9.955 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.293 -14.807 10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.966 -12.098 7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.828 -13.103 6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.097 -16.119 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.332 -15.397 6.480 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.322 -11.205 14.974 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.533 -10.604 16.252 1.00 0.00 C ATOM 1148 C ILE A 71 -8.494 -11.197 17.149 1.00 0.00 C ATOM 1149 O ILE A 71 -8.205 -12.389 17.072 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.959 -10.812 16.749 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.286 -9.933 17.970 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.275 -12.296 17.023 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.794 -9.829 18.222 1.00 0.00 C ATOM 0 H ILE A 71 -9.739 -12.131 14.875 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.427 -9.520 16.217 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.611 -10.491 15.937 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.799 -10.346 18.854 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.875 -8.935 17.817 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.302 -12.390 17.375 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.152 -12.870 16.105 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.595 -12.678 17.784 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.975 -9.199 19.093 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.279 -9.390 17.350 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.202 -10.823 18.402 1.00 0.00 H new ATOM 1165 N SER A 72 -7.881 -10.354 17.997 1.00 0.00 N ATOM 1166 CA SER A 72 -6.766 -10.776 18.796 1.00 0.00 C ATOM 1167 C SER A 72 -7.186 -11.481 20.042 1.00 0.00 C ATOM 1168 O SER A 72 -8.269 -11.255 20.582 1.00 0.00 O ATOM 1169 CB SER A 72 -5.882 -9.602 19.239 1.00 0.00 C ATOM 1170 OG SER A 72 -6.599 -8.674 20.027 1.00 0.00 O ATOM 0 H SER A 72 -8.154 -9.381 18.132 1.00 0.00 H new ATOM 0 HA SER A 72 -6.211 -11.450 18.144 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.032 -9.981 19.807 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.479 -9.098 18.360 1.00 0.00 H new ATOM 0 HG SER A 72 -5.975 -8.030 20.423 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.271 -12.351 20.527 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.407 -13.038 21.778 1.00 0.00 C ATOM 1178 C LYS A 73 -5.648 -12.272 22.808 1.00 0.00 C ATOM 1179 O LYS A 73 -5.959 -12.343 23.996 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.783 -14.445 21.769 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.572 -15.472 20.952 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.822 -16.806 20.834 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.557 -17.873 20.018 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.790 -18.299 20.714 1.00 0.00 N ATOM 0 H LYS A 73 -5.410 -12.582 20.031 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.475 -13.121 21.977 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.771 -14.380 21.370 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.699 -14.800 22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.542 -15.641 21.420 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.764 -15.074 19.956 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.849 -16.623 20.378 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.637 -17.195 21.835 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.806 -17.478 19.033 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.905 -18.733 19.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.727 -19.311 20.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.901 -17.751 21.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.611 -18.135 20.097 1.00 0.00 H new ATOM 1198 N SER A 74 -4.607 -11.542 22.360 1.00 0.00 N ATOM 1199 CA SER A 74 -3.704 -10.840 23.202 1.00 0.00 C ATOM 1200 C SER A 74 -4.059 -9.404 23.067 1.00 0.00 C ATOM 1201 O SER A 74 -3.459 -8.674 22.283 1.00 0.00 O ATOM 1202 CB SER A 74 -2.249 -11.036 22.760 1.00 0.00 C ATOM 1203 OG SER A 74 -2.148 -10.930 21.347 1.00 0.00 O ATOM 0 H SER A 74 -4.392 -11.442 21.368 1.00 0.00 H new ATOM 0 HA SER A 74 -3.782 -11.203 24.227 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.613 -10.289 23.235 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.891 -12.013 23.085 1.00 0.00 H new ATOM 0 HG SER A 74 -2.633 -10.134 21.043 1.00 0.00 H new ATOM 1209 N SER A 75 -5.066 -9.000 23.860 1.00 0.00 N ATOM 1210 CA SER A 75 -5.512 -7.639 24.034 1.00 0.00 C ATOM 1211 C SER A 75 -4.364 -6.731 24.363 1.00 0.00 C ATOM 1212 O SER A 75 -3.530 -7.029 25.217 1.00 0.00 O ATOM 1213 CB SER A 75 -6.574 -7.493 25.136 1.00 0.00 C ATOM 1214 OG SER A 75 -6.110 -8.057 26.354 1.00 0.00 O ATOM 0 H SER A 75 -5.607 -9.660 24.418 1.00 0.00 H new ATOM 0 HA SER A 75 -5.960 -7.355 23.082 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.811 -6.439 25.284 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.496 -7.987 24.828 1.00 0.00 H new ATOM 0 HG SER A 75 -5.750 -7.348 26.927 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.293 -5.604 23.624 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.117 -4.782 23.588 1.00 0.00 C ATOM 1222 C PHE A 76 -3.467 -3.577 24.355 1.00 0.00 C ATOM 1223 O PHE A 76 -4.643 -3.319 24.585 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.758 -4.275 22.172 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.341 -5.380 21.258 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.300 -6.143 20.628 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -1.002 -5.618 20.975 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.940 -7.166 19.791 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.632 -6.639 20.115 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.612 -7.430 19.550 1.00 0.00 C ATOM 0 H PHE A 76 -5.059 -5.259 23.046 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.277 -5.367 23.964 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.618 -3.760 21.745 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.953 -3.544 22.245 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.346 -5.932 20.796 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.242 -5.001 21.430 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.702 -7.768 19.318 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.410 -6.814 19.890 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.335 -8.259 18.916 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.446 -2.796 24.757 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.709 -1.518 25.330 1.00 0.00 C ATOM 1242 C GLN A 77 -3.075 -0.627 24.213 1.00 0.00 C ATOM 1243 O GLN A 77 -2.524 -0.734 23.124 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.537 -0.882 26.090 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.809 -1.706 27.150 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.372 -0.702 28.211 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.430 0.204 27.955 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -0.965 -0.869 29.432 1.00 0.00 N ATOM 0 H GLN A 77 -1.459 -3.045 24.686 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.493 -1.654 26.074 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.798 -0.568 25.353 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.909 0.021 26.573 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.464 -2.467 27.575 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.049 -2.226 26.723 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.619 -1.637 29.580 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.753 -0.225 30.194 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.049 0.263 24.460 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.624 1.017 23.392 1.00 0.00 C ATOM 1259 C VAL A 78 -4.889 2.369 23.974 1.00 0.00 C ATOM 1260 O VAL A 78 -5.213 2.490 25.150 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.870 0.298 22.888 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.121 1.187 22.723 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.442 -0.402 21.586 1.00 0.00 C ATOM 0 H VAL A 78 -4.434 0.460 25.384 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.982 1.121 22.517 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.213 -0.416 23.637 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.952 0.582 22.360 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.385 1.626 23.685 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.911 1.981 22.007 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.291 -0.941 21.166 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.095 0.343 20.870 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.636 -1.104 21.798 1.00 0.00 H new ATOM 1273 N THR A 79 -4.744 3.436 23.166 1.00 0.00 N ATOM 1274 CA THR A 79 -5.165 4.743 23.578 1.00 0.00 C ATOM 1275 C THR A 79 -5.887 5.261 22.382 1.00 0.00 C ATOM 1276 O THR A 79 -5.267 5.642 21.391 1.00 0.00 O ATOM 1277 CB THR A 79 -4.037 5.669 23.990 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.360 5.133 25.118 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.589 7.040 24.401 1.00 0.00 C ATOM 0 H THR A 79 -4.337 3.396 22.231 1.00 0.00 H new ATOM 0 HA THR A 79 -5.775 4.692 24.480 1.00 0.00 H new ATOM 0 HB THR A 79 -3.362 5.770 23.140 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.680 4.494 24.818 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.765 7.691 24.693 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.122 7.484 23.561 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.273 6.920 25.242 1.00 0.00 H new ATOM 1287 N THR A 80 -7.235 5.261 22.463 1.00 0.00 N ATOM 1288 CA THR A 80 -8.084 5.672 21.383 1.00 0.00 C ATOM 1289 C THR A 80 -8.251 7.145 21.515 1.00 0.00 C ATOM 1290 O THR A 80 -8.959 7.620 22.400 1.00 0.00 O ATOM 1291 CB THR A 80 -9.440 5.007 21.428 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.266 3.599 21.376 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.320 5.448 20.241 1.00 0.00 C ATOM 0 H THR A 80 -7.744 4.969 23.297 1.00 0.00 H new ATOM 0 HA THR A 80 -7.630 5.386 20.434 1.00 0.00 H new ATOM 0 HB THR A 80 -9.937 5.301 22.353 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.142 3.160 21.406 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.289 4.952 20.302 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.463 6.528 20.275 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.832 5.176 19.305 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.585 7.900 20.622 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.572 9.325 20.713 1.00 0.00 C ATOM 1303 C CYS A 81 -8.567 9.840 19.751 1.00 0.00 C ATOM 1304 O CYS A 81 -8.548 9.472 18.578 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.211 9.906 20.355 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.947 9.069 21.323 1.00 0.00 S ATOM 0 H CYS A 81 -7.055 7.522 19.837 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.800 9.614 21.739 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.016 9.780 19.290 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.193 10.977 20.557 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.463 10.708 20.250 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.526 11.221 19.446 1.00 0.00 C ATOM 1313 C LYS A 82 -10.286 12.693 19.426 1.00 0.00 C ATOM 1314 O LYS A 82 -9.926 13.282 20.441 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.917 10.880 20.026 1.00 0.00 C ATOM 1316 CG LYS A 82 -13.094 11.132 19.068 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.838 12.457 19.291 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.858 12.769 18.190 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.174 12.992 16.895 1.00 0.00 N ATOM 0 H LYS A 82 -9.451 11.054 21.209 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.531 10.782 18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.925 9.831 20.321 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.072 11.467 20.931 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.721 11.110 18.044 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.805 10.312 19.166 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.350 12.421 20.252 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.113 13.269 19.346 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.565 11.944 18.097 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.434 13.654 18.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.821 13.475 16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.330 13.581 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.890 12.077 16.490 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.468 13.293 18.238 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.145 14.653 17.931 1.00 0.00 C ATOM 1335 C LEU A 83 -11.131 15.567 18.568 1.00 0.00 C ATOM 1336 O LEU A 83 -12.319 15.559 18.244 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.192 14.777 16.388 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.836 16.091 15.649 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.062 16.948 15.292 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.717 16.931 16.272 1.00 0.00 C ATOM 0 H LEU A 83 -10.866 12.797 17.440 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.160 14.927 18.310 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.529 14.007 15.993 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.205 14.513 16.084 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.411 15.722 14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.737 17.852 14.777 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.727 16.379 14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.593 17.221 16.204 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.555 17.825 15.670 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.000 17.221 17.284 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.798 16.345 16.306 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.609 16.397 19.490 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.353 17.455 20.094 1.00 0.00 C ATOM 1354 C HIS A 84 -11.249 18.602 19.153 1.00 0.00 C ATOM 1355 O HIS A 84 -10.174 19.179 18.984 1.00 0.00 O ATOM 1356 CB HIS A 84 -10.793 17.847 21.471 1.00 0.00 C ATOM 1357 CG HIS A 84 -11.769 18.627 22.292 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.903 19.988 22.248 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.692 18.159 23.159 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -12.884 20.334 23.072 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.381 19.240 23.636 1.00 0.00 N ATOM 0 H HIS A 84 -9.647 16.330 19.822 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.384 17.147 20.267 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.508 16.945 22.013 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.886 18.437 21.335 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.856 17.125 23.426 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.223 21.343 23.254 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.146 19.211 24.310 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.382 18.934 18.500 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.389 19.938 17.480 1.00 0.00 C ATOM 1372 C GLY A 85 -12.691 21.257 18.090 1.00 0.00 C ATOM 1373 O GLY A 85 -13.846 21.664 18.201 1.00 0.00 O ATOM 0 H GLY A 85 -13.291 18.507 18.679 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.422 19.970 16.979 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.134 19.697 16.721 1.00 0.00 H new ATOM 1377 N GLY A 86 -11.602 21.971 18.437 1.00 0.00 N ATOM 1378 CA GLY A 86 -11.636 23.381 18.673 1.00 0.00 C ATOM 1379 C GLY A 86 -11.162 23.996 17.395 1.00 0.00 C ATOM 1380 O GLY A 86 -11.269 25.205 17.198 1.00 0.00 O ATOM 0 H GLY A 86 -10.677 21.557 18.556 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.643 23.716 18.923 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.992 23.658 19.508 1.00 0.00 H new ATOM 1384 N SER A 87 -10.617 23.146 16.497 1.00 0.00 N ATOM 1385 CA SER A 87 -10.127 23.577 15.223 1.00 0.00 C ATOM 1386 C SER A 87 -9.968 22.308 14.429 1.00 0.00 C ATOM 1387 O SER A 87 -9.389 21.368 14.969 1.00 0.00 O ATOM 1388 CB SER A 87 -8.749 24.264 15.288 1.00 0.00 C ATOM 1389 OG SER A 87 -8.391 24.756 14.005 1.00 0.00 O ATOM 0 H SER A 87 -10.516 22.144 16.661 1.00 0.00 H new ATOM 0 HA SER A 87 -10.815 24.308 14.799 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.775 25.083 16.006 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.997 23.557 15.638 1.00 0.00 H new ATOM 0 HG SER A 87 -7.685 24.193 13.624 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.423 22.205 13.181 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.164 21.049 12.359 1.00 0.00 C ATOM 1397 C PRO A 88 -8.766 21.125 11.822 1.00 0.00 C ATOM 1398 O PRO A 88 -8.211 20.083 11.481 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.138 21.167 11.185 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.270 22.048 11.715 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.548 22.979 12.688 1.00 0.00 C ATOM 0 HA PRO A 88 -10.280 20.119 12.915 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.659 21.617 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.507 20.189 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.760 22.602 10.914 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.040 21.460 12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.213 23.889 12.190 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.204 23.285 13.503 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.210 22.344 11.705 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.921 22.579 11.131 1.00 0.00 C ATOM 1411 C TRP A 89 -5.907 22.493 12.235 1.00 0.00 C ATOM 1412 O TRP A 89 -6.304 22.624 13.392 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.874 23.977 10.494 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.920 24.114 9.416 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.096 24.806 9.438 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.872 23.429 8.153 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.780 24.602 8.264 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.041 23.753 7.467 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.936 22.590 7.615 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.292 23.241 6.225 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.192 22.071 6.363 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.351 22.390 5.680 1.00 0.00 C ATOM 0 H TRP A 89 -8.674 23.196 12.021 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.712 21.841 10.357 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.034 24.735 11.260 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.885 24.155 10.071 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.438 25.422 10.256 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.683 25.010 8.022 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.031 22.343 8.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.195 23.493 5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.475 21.404 5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.524 21.966 4.702 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.623 22.281 11.960 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.644 22.050 12.990 1.00 0.00 C ATOM 1435 C PRO A 90 -3.342 23.375 13.659 1.00 0.00 C ATOM 1436 O PRO A 90 -3.375 24.374 12.939 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.400 21.528 12.262 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.634 21.828 10.779 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.155 21.830 10.663 1.00 0.00 C ATOM 0 HA PRO A 90 -3.980 21.345 13.750 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.498 22.022 12.624 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.268 20.459 12.429 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.206 22.788 10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.182 21.071 10.138 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.491 22.496 9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.536 20.836 10.429 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.032 23.479 14.950 1.00 0.00 N ATOM 1448 CA PRO A 91 -2.831 22.375 15.851 1.00 0.00 C ATOM 1449 C PRO A 91 -4.157 21.911 16.351 1.00 0.00 C ATOM 1450 O PRO A 91 -5.165 22.602 16.196 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.061 22.935 17.038 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.424 24.214 16.510 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.412 24.691 15.446 1.00 0.00 C ATOM 0 HA PRO A 91 -2.309 21.552 15.362 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.723 23.139 17.880 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.306 22.231 17.389 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.296 24.954 17.300 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.437 24.026 16.086 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.152 25.370 15.869 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.904 25.231 14.647 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.143 20.715 16.953 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.340 20.011 17.298 1.00 0.00 C ATOM 1463 C CYS A 92 -5.092 19.285 18.569 1.00 0.00 C ATOM 1464 O CYS A 92 -4.149 18.501 18.668 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.722 18.941 16.258 1.00 0.00 C ATOM 1466 SG CYS A 92 -6.518 19.671 14.800 1.00 0.00 S ATOM 0 H CYS A 92 -3.286 20.224 17.207 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.143 20.746 17.362 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.828 18.398 15.950 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.395 18.215 16.714 1.00 0.00 H new ATOM 1471 N GLN A 93 -5.976 19.527 19.560 1.00 0.00 N ATOM 1472 CA GLN A 93 -5.976 18.789 20.789 1.00 0.00 C ATOM 1473 C GLN A 93 -6.666 17.502 20.496 1.00 0.00 C ATOM 1474 O GLN A 93 -7.743 17.487 19.905 1.00 0.00 O ATOM 1475 CB GLN A 93 -6.744 19.506 21.922 1.00 0.00 C ATOM 1476 CG GLN A 93 -6.719 18.773 23.273 1.00 0.00 C ATOM 1477 CD GLN A 93 -7.464 19.637 24.289 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -6.871 20.489 24.960 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.806 19.392 24.392 1.00 0.00 N ATOM 0 H GLN A 93 -6.699 20.244 19.507 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.949 18.666 21.132 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.322 20.502 22.056 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.781 19.638 21.614 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.191 17.794 23.185 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.692 18.604 23.596 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.240 18.675 23.811 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.373 19.927 25.050 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.043 16.389 20.919 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.643 15.095 20.830 1.00 0.00 C ATOM 1490 C TYR A 94 -6.886 14.669 22.224 1.00 0.00 C ATOM 1491 O TYR A 94 -5.941 14.561 23.001 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.704 14.052 20.237 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.755 14.204 18.770 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.693 13.485 18.062 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.876 15.035 18.104 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.758 13.594 16.691 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.965 15.172 16.735 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.898 14.442 16.029 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.956 14.547 14.628 1.00 0.00 O ATOM 0 H TYR A 94 -5.109 16.387 21.329 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.531 15.164 20.202 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.688 14.196 20.604 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.009 13.048 20.531 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.379 12.834 18.584 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.121 15.576 18.654 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.482 13.016 16.136 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.304 15.851 16.216 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.778 14.124 14.302 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.165 14.405 22.560 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.483 13.924 23.874 1.00 0.00 C ATOM 1511 C ARG A 95 -8.390 12.439 23.864 1.00 0.00 C ATOM 1512 O ARG A 95 -9.122 11.758 23.148 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.868 14.329 24.396 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.888 15.787 24.871 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.178 16.162 25.600 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.039 17.578 26.042 1.00 0.00 N ATOM 1517 CZ ARG A 95 -12.009 18.179 26.790 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -13.131 17.488 27.149 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -11.861 19.481 27.171 1.00 0.00 N ATOM 0 H ARG A 95 -8.964 14.521 21.937 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.765 14.387 24.550 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.609 14.192 23.608 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.153 13.674 25.219 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.040 15.959 25.534 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.759 16.445 24.011 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.039 16.047 24.942 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.341 15.506 26.455 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.206 18.106 25.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.247 16.517 26.858 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.853 17.943 27.708 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.028 20.001 26.897 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.584 19.934 27.730 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.458 11.923 24.689 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.172 10.524 24.773 1.00 0.00 C ATOM 1535 C ALA A 96 -8.163 9.857 25.662 1.00 0.00 C ATOM 1536 O ALA A 96 -8.492 10.366 26.732 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.810 10.263 25.422 1.00 0.00 C ATOM 0 H ALA A 96 -6.889 12.495 25.313 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.198 10.142 23.752 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.629 9.189 25.468 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.028 10.738 24.830 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.803 10.676 26.431 1.00 0.00 H new ATOM 1543 N THR A 97 -8.630 8.667 25.228 1.00 0.00 N ATOM 1544 CA THR A 97 -9.428 7.807 26.049 1.00 0.00 C ATOM 1545 C THR A 97 -8.629 6.550 26.126 1.00 0.00 C ATOM 1546 O THR A 97 -8.534 5.806 25.152 1.00 0.00 O ATOM 1547 CB THR A 97 -10.800 7.524 25.487 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.453 8.749 25.192 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.632 6.751 26.528 1.00 0.00 C ATOM 0 H THR A 97 -8.450 8.299 24.294 1.00 0.00 H new ATOM 0 HA THR A 97 -9.627 8.271 27.015 1.00 0.00 H new ATOM 0 HB THR A 97 -10.701 6.930 24.578 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.343 8.565 24.825 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.623 6.546 26.123 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.135 5.810 26.765 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.727 7.349 27.434 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.017 6.310 27.302 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.115 5.211 27.491 1.00 0.00 C ATOM 1559 C ALA A 98 -7.883 3.950 27.723 1.00 0.00 C ATOM 1560 O ALA A 98 -8.985 3.966 28.269 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.202 5.421 28.702 1.00 0.00 C ATOM 0 H ALA A 98 -8.149 6.886 28.133 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.509 5.145 26.588 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.535 4.565 28.808 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.611 6.326 28.560 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.809 5.522 29.602 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.294 2.812 27.306 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.954 1.552 27.451 1.00 0.00 C ATOM 1569 C GLY A 99 -6.950 0.461 27.279 1.00 0.00 C ATOM 1570 O GLY A 99 -5.749 0.694 27.146 1.00 0.00 O ATOM 0 H GLY A 99 -6.371 2.765 26.873 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.423 1.482 28.433 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.748 1.454 26.711 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.443 -0.785 27.288 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.611 -1.936 27.134 1.00 0.00 C ATOM 1576 C PHE A 100 -7.558 -2.896 26.493 1.00 0.00 C ATOM 1577 O PHE A 100 -8.400 -3.492 27.163 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.069 -2.439 28.490 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.195 -3.634 28.331 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.899 -3.513 27.867 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.657 -4.877 28.723 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.092 -4.630 27.773 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.846 -5.989 28.642 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.560 -5.867 28.161 1.00 0.00 C ATOM 0 H PHE A 100 -8.433 -1.000 27.404 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.705 -1.766 26.552 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.507 -1.641 28.975 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.904 -2.685 29.146 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.517 -2.545 27.578 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.665 -4.978 29.097 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.086 -4.533 27.392 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.218 -6.954 28.955 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.923 -6.736 28.089 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.473 -3.000 25.148 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.556 -3.515 24.368 1.00 0.00 C ATOM 1596 C ARG A 101 -7.974 -4.298 23.234 1.00 0.00 C ATOM 1597 O ARG A 101 -6.866 -4.031 22.765 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.437 -2.362 23.837 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.800 -2.778 23.262 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.701 -1.562 23.021 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.927 -1.994 22.281 1.00 0.00 N ATOM 1602 CZ ARG A 101 -14.089 -2.324 22.922 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -14.151 -2.361 24.284 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -15.200 -2.619 22.188 1.00 0.00 N ATOM 0 H ARG A 101 -6.654 -2.727 24.605 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.190 -4.156 24.980 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.606 -1.654 24.649 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.883 -1.832 23.062 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.653 -3.315 22.325 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.292 -3.466 23.949 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.978 -1.106 23.972 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.165 -0.805 22.449 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.895 -2.044 21.263 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.324 -2.141 24.838 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.025 -2.609 24.748 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.160 -2.592 21.169 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.071 -2.866 22.658 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.742 -5.309 22.790 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.375 -6.214 21.741 1.00 0.00 C ATOM 1620 C ASN A 102 -8.688 -5.586 20.418 1.00 0.00 C ATOM 1621 O ASN A 102 -9.656 -4.840 20.267 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.086 -7.579 21.891 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.611 -7.484 21.774 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.307 -6.762 22.497 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.131 -8.311 20.816 1.00 0.00 N ATOM 0 H ASN A 102 -9.664 -5.506 23.180 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.304 -6.409 21.804 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.712 -8.262 21.128 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.829 -8.010 22.858 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.140 -8.353 20.671 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.510 -8.886 20.247 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.818 -5.884 19.433 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.854 -5.282 18.132 1.00 0.00 C ATOM 1634 C VAL A 103 -8.548 -6.239 17.217 1.00 0.00 C ATOM 1635 O VAL A 103 -8.506 -7.445 17.442 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.464 -4.999 17.580 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.806 -3.876 18.404 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.575 -6.260 17.592 1.00 0.00 C ATOM 0 H VAL A 103 -7.066 -6.564 19.545 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.372 -4.326 18.206 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.567 -4.684 16.542 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.810 -3.672 18.010 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.414 -2.974 18.340 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.728 -4.187 19.446 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.592 -6.016 17.190 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.470 -6.621 18.615 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.035 -7.035 16.979 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.181 -5.719 16.141 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.548 -6.532 15.016 1.00 0.00 C ATOM 1650 C VAL A 104 -8.716 -5.964 13.915 1.00 0.00 C ATOM 1651 O VAL A 104 -9.106 -4.987 13.277 1.00 0.00 O ATOM 1652 CB VAL A 104 -11.013 -6.438 14.634 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.302 -7.182 13.314 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.842 -7.085 15.750 1.00 0.00 C ATOM 0 H VAL A 104 -9.438 -4.736 16.052 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.388 -7.588 15.232 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.271 -5.388 14.499 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.361 -7.094 13.071 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.708 -6.744 12.512 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.042 -8.235 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.901 -7.029 15.496 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.550 -8.129 15.861 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.665 -6.557 16.687 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.534 -6.564 13.678 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.662 -6.079 12.636 1.00 0.00 C ATOM 1666 C VAL A 105 -7.053 -6.864 11.418 1.00 0.00 C ATOM 1667 O VAL A 105 -7.243 -8.077 11.491 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.177 -6.190 12.899 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.825 -5.249 14.058 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.712 -7.615 13.230 1.00 0.00 C ATOM 0 H VAL A 105 -7.181 -7.370 14.194 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.797 -5.002 12.538 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.659 -5.912 11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.757 -5.312 14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.082 -4.225 13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.386 -5.540 14.946 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.636 -7.615 13.406 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.226 -7.967 14.124 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.943 -8.276 12.395 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.196 -6.180 10.268 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.540 -6.840 9.040 1.00 0.00 C ATOM 1682 C ALA A 106 -6.260 -7.151 8.354 1.00 0.00 C ATOM 1683 O ALA A 106 -5.379 -6.294 8.276 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.373 -5.977 8.094 1.00 0.00 C ATOM 0 H ALA A 106 -7.074 -5.171 10.185 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.139 -7.718 9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.595 -6.541 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.305 -5.696 8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.814 -5.078 7.834 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.145 -8.404 7.863 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.893 -8.941 7.419 1.00 0.00 C ATOM 1692 C CYS A 107 -4.951 -9.334 5.984 1.00 0.00 C ATOM 1693 O CYS A 107 -5.882 -10.004 5.538 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.514 -10.196 8.218 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.998 -10.997 7.665 1.00 0.00 S ATOM 0 H CYS A 107 -6.930 -9.049 7.774 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.152 -8.155 7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.406 -9.925 9.268 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.333 -10.913 8.157 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.893 -8.933 5.249 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.616 -9.403 3.927 1.00 0.00 C ATOM 1702 C GLU A 108 -2.198 -9.871 3.998 1.00 0.00 C ATOM 1703 O GLU A 108 -1.360 -9.189 4.578 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.711 -8.271 2.883 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.493 -8.716 1.432 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.684 -7.494 0.545 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.898 -6.521 0.699 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.620 -7.518 -0.299 1.00 0.00 O ATOM 0 H GLU A 108 -3.208 -8.258 5.589 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.327 -10.172 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.693 -7.804 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.974 -7.506 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.493 -9.130 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.200 -9.500 1.161 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.902 -11.047 3.399 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.579 -11.585 3.142 1.00 0.00 C ATOM 1717 C ASN A 109 0.176 -12.116 4.333 1.00 0.00 C ATOM 1718 O ASN A 109 1.330 -12.521 4.189 1.00 0.00 O ATOM 1719 CB ASN A 109 0.339 -10.719 2.219 1.00 0.00 C ATOM 1720 CG ASN A 109 1.115 -9.561 2.878 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.117 -9.747 3.576 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.650 -8.309 2.572 1.00 0.00 N ATOM 0 H ASN A 109 -2.637 -11.672 3.068 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.851 -12.466 2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.062 -11.382 1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.280 -10.301 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.136 -7.484 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.182 -8.202 1.992 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.446 -12.144 5.530 1.00 0.00 N ATOM 1730 CA GLY A 110 0.218 -12.577 6.729 1.00 0.00 C ATOM 1731 C GLY A 110 0.733 -11.368 7.444 1.00 0.00 C ATOM 1732 O GLY A 110 1.626 -11.477 8.283 1.00 0.00 O ATOM 0 H GLY A 110 -1.417 -11.864 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.472 -13.130 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.038 -13.252 6.486 1.00 0.00 H new ATOM 1736 N LEU A 111 0.166 -10.188 7.117 1.00 0.00 N ATOM 1737 CA LEU A 111 0.579 -8.943 7.704 1.00 0.00 C ATOM 1738 C LEU A 111 -0.698 -8.234 7.997 1.00 0.00 C ATOM 1739 O LEU A 111 -1.535 -8.209 7.101 1.00 0.00 O ATOM 1740 CB LEU A 111 1.268 -8.021 6.691 1.00 0.00 C ATOM 1741 CG LEU A 111 2.779 -7.798 6.876 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.640 -9.018 7.167 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.384 -7.062 5.675 1.00 0.00 C ATOM 0 H LEU A 111 -0.589 -10.096 6.437 1.00 0.00 H new ATOM 0 HA LEU A 111 1.246 -9.145 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.104 -8.428 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.774 -7.050 6.724 1.00 0.00 H new ATOM 0 HG LEU A 111 2.807 -7.201 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.681 -8.712 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.304 -9.489 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.553 -9.729 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.453 -6.920 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.229 -7.651 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.902 -6.091 5.563 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.946 -7.649 9.146 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.136 -6.873 9.348 1.00 0.00 C ATOM 1757 C PRO A 112 -1.927 -5.577 8.623 1.00 0.00 C ATOM 1758 O PRO A 112 -1.073 -4.797 9.016 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.234 -6.700 10.856 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.831 -6.969 11.391 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.245 -7.943 10.377 1.00 0.00 C ATOM 0 HA PRO A 112 -3.058 -7.319 8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.566 -5.695 11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.957 -7.394 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.243 -6.053 11.454 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.859 -7.400 12.392 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.830 -7.801 10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.400 -8.977 10.685 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.708 -5.328 7.556 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.516 -4.177 6.721 1.00 0.00 C ATOM 1771 C VAL A 113 -3.445 -3.082 7.145 1.00 0.00 C ATOM 1772 O VAL A 113 -3.364 -1.969 6.627 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.726 -4.468 5.247 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.547 -5.334 4.761 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.087 -5.150 4.994 1.00 0.00 C ATOM 0 H VAL A 113 -3.480 -5.929 7.268 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.477 -3.871 6.845 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.750 -3.536 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.673 -5.559 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.613 -4.792 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.521 -6.264 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.204 -5.344 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.129 -6.092 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.890 -4.497 5.334 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.372 -3.381 8.080 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.442 -2.471 8.368 1.00 0.00 C ATOM 1787 C HIS A 114 -5.906 -2.862 9.727 1.00 0.00 C ATOM 1788 O HIS A 114 -5.377 -3.803 10.315 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.567 -2.588 7.304 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.927 -2.014 7.628 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.193 -0.679 7.483 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.070 -2.602 8.074 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.457 -0.464 7.825 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -10.010 -1.614 8.186 1.00 0.00 N ATOM 0 H HIS A 114 -4.381 -4.241 8.629 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.131 -1.427 8.339 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.213 -2.107 6.392 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.699 -3.646 7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.209 -3.650 8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.955 0.494 7.812 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.974 -1.741 8.495 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.890 -2.114 10.261 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.441 -2.317 11.561 1.00 0.00 C ATOM 1805 C LEU A 115 -8.660 -1.484 11.534 1.00 0.00 C ATOM 1806 O LEU A 115 -8.642 -0.334 11.095 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.441 -1.865 12.638 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.830 -1.551 14.105 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.114 -0.051 14.251 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.767 -2.562 14.785 1.00 0.00 C ATOM 0 H LEU A 115 -7.318 -1.334 9.762 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.661 -3.358 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.674 -2.638 12.685 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.963 -0.965 12.251 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.972 -1.737 14.751 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.387 0.169 15.283 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.222 0.516 13.983 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.934 0.230 13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.970 -2.240 15.806 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.703 -2.621 14.230 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.293 -3.543 14.802 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.755 -2.092 12.010 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.021 -1.457 12.108 1.00 0.00 C ATOM 1824 C ASP A 116 -11.029 -0.568 13.306 1.00 0.00 C ATOM 1825 O ASP A 116 -10.571 -0.935 14.386 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.124 -2.503 12.290 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.114 -3.379 11.048 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -12.510 -2.875 9.963 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -11.702 -4.563 11.165 1.00 0.00 O ATOM 0 H ASP A 116 -9.757 -3.058 12.337 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.198 -0.886 11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.946 -3.100 13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.094 -2.023 12.415 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.609 0.635 13.134 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.851 1.559 14.206 1.00 0.00 C ATOM 1836 C GLN A 117 -13.318 1.414 14.538 1.00 0.00 C ATOM 1837 O GLN A 117 -14.007 2.412 14.737 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.676 3.025 13.739 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.238 3.423 13.365 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.371 3.423 14.621 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.298 2.810 14.665 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.867 4.136 15.676 1.00 0.00 N ATOM 0 H GLN A 117 -11.919 0.977 12.224 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.166 1.353 15.029 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.320 3.194 12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.025 3.687 14.532 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.835 2.725 12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.230 4.411 12.904 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.758 4.624 15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.346 4.180 16.552 1.00 0.00 H new ATOM 1851 N SER A 118 -13.845 0.164 14.571 1.00 0.00 N ATOM 1852 CA SER A 118 -15.238 -0.108 14.795 1.00 0.00 C ATOM 1853 C SER A 118 -15.378 -0.457 16.232 1.00 0.00 C ATOM 1854 O SER A 118 -16.391 -0.167 16.866 1.00 0.00 O ATOM 1855 CB SER A 118 -15.763 -1.292 13.971 1.00 0.00 C ATOM 1856 OG SER A 118 -15.665 -0.998 12.585 1.00 0.00 O ATOM 0 H SER A 118 -13.284 -0.677 14.438 1.00 0.00 H new ATOM 0 HA SER A 118 -15.811 0.771 14.500 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.190 -2.190 14.203 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.800 -1.499 14.235 1.00 0.00 H new ATOM 0 HG SER A 118 -16.000 -1.758 12.065 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.310 -1.087 16.763 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.134 -1.346 18.161 1.00 0.00 C ATOM 1864 C ILE A 119 -13.827 -0.072 18.846 1.00 0.00 C ATOM 1865 O ILE A 119 -14.240 0.160 19.982 1.00 0.00 O ATOM 1866 CB ILE A 119 -12.964 -2.240 18.507 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.799 -2.290 17.479 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.532 -3.601 18.893 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.981 -3.227 16.283 1.00 0.00 C ATOM 0 H ILE A 119 -13.537 -1.430 16.193 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.060 -1.833 18.467 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.437 -1.797 19.352 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.636 -1.281 17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -10.891 -2.583 18.007 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.716 -4.276 19.150 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.194 -3.489 19.751 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.093 -4.013 18.054 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.102 -3.172 15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.108 -4.250 16.638 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.863 -2.928 15.717 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.052 0.770 18.141 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.477 1.956 18.674 1.00 0.00 C ATOM 1883 C PHE A 120 -13.247 3.105 18.132 1.00 0.00 C ATOM 1884 O PHE A 120 -12.700 4.178 17.890 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.028 2.103 18.217 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.217 0.880 18.517 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.395 0.109 19.660 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.241 0.494 17.613 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.569 -0.962 19.923 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.421 -0.570 17.885 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.566 -1.295 19.045 1.00 0.00 C ATOM 0 H PHE A 120 -12.819 0.615 17.160 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.505 1.919 19.763 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.004 2.299 17.145 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.579 2.965 18.709 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.190 0.352 20.350 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.125 1.036 16.686 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.711 -1.542 20.823 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.651 -0.843 17.179 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.899 -2.116 19.263 1.00 0.00 H new